smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(c2ccnc(-c3ccc([O-])c(F)c3F)c2)OCCO1 ZINC001243340404 782143916 /nfs/dbraw/zinc/14/39/16/782143916.db2.gz URSNLFPSQMDTBX-UHFFFAOYSA-N -1 1 293.269 2.952 20 0 CFADMM COc1ccc(-c2ccc([O-])c(F)c2F)c(N)c1 ZINC001243340462 782144714 /nfs/dbraw/zinc/14/47/14/782144714.db2.gz AWHIXDDQKLPFEC-UHFFFAOYSA-N -1 1 251.232 2.928 20 0 CFADMM NC(=O)c1cc(F)c(-c2ccc([O-])c(F)c2F)cc1F ZINC001243341518 782146233 /nfs/dbraw/zinc/14/62/33/782146233.db2.gz RTDVSABOMKHBFP-UHFFFAOYSA-N -1 1 285.196 2.715 20 0 CFADMM COCCOc1cc(-c2ccc([O-])c(F)c2F)ccn1 ZINC001243341477 782145331 /nfs/dbraw/zinc/14/53/31/782145331.db2.gz RAKCHGPHQCGEJD-UHFFFAOYSA-N -1 1 281.258 2.758 20 0 CFADMM O=S1(=O)Cc2cc(-c3ccc([O-])c(F)c3F)ccc2N1 ZINC001243342480 782147125 /nfs/dbraw/zinc/14/71/25/782147125.db2.gz OVANXAXBQFQGHX-UHFFFAOYSA-N -1 1 297.282 2.593 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@H]2CC[C@@H](C1)O2 ZINC000090908603 500687015 /nfs/dbraw/zinc/68/70/15/500687015.db2.gz OBSOJMSHGMRKLQ-OKILXGFUSA-N -1 1 283.327 2.549 20 0 CFADMM CS[C@@H](CNC(=O)c1ncc(C)cc1[O-])C(C)(C)C ZINC000427900935 533928342 /nfs/dbraw/zinc/92/83/42/533928342.db2.gz ABABUZVJYQTNCK-NSHDSACASA-N -1 1 282.409 2.603 20 0 CFADMM Cc1cc(C)cc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000192659456 534082220 /nfs/dbraw/zinc/08/22/20/534082220.db2.gz XMZCWKDNXTVDFH-UHFFFAOYSA-N -1 1 257.289 2.967 20 0 CFADMM CC(C)(C)C[C@@H]1CCN(C(=O)c2cncc([O-])c2)C1 ZINC000307778537 518686941 /nfs/dbraw/zinc/68/69/41/518686941.db2.gz RKSBTJRLFBBUQY-NSHDSACASA-N -1 1 262.353 2.686 20 0 CFADMM CC(C)=CCNC(=O)c1ccc(Br)c([O-])c1 ZINC000232593352 519437423 /nfs/dbraw/zinc/43/74/23/519437423.db2.gz SELARSKWVZHSSR-UHFFFAOYSA-N -1 1 284.153 2.851 20 0 CFADMM CC(C)CN(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000228316884 519708603 /nfs/dbraw/zinc/70/86/03/519708603.db2.gz AXODQUUPKUVERQ-UHFFFAOYSA-N -1 1 286.169 2.883 20 0 CFADMM CC(C)n1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000336483886 519987308 /nfs/dbraw/zinc/98/73/08/519987308.db2.gz CSPMNFNDVLDCTI-UHFFFAOYSA-N -1 1 294.742 2.889 20 0 CFADMM CC1(C)CCC(CNC(=O)c2cncc([O-])c2)CC1 ZINC000311471385 520299984 /nfs/dbraw/zinc/29/99/84/520299984.db2.gz OPJWIOMYRYAHJC-UHFFFAOYSA-N -1 1 262.353 2.733 20 0 CFADMM CC1(C)CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000328080256 520483386 /nfs/dbraw/zinc/48/33/86/520483386.db2.gz AKGQSZQATQBIFZ-UHFFFAOYSA-N -1 1 255.745 2.656 20 0 CFADMM CC1(C[N-]S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000361966849 520733633 /nfs/dbraw/zinc/73/36/33/520733633.db2.gz YTRAEDHWAWWSPF-UHFFFAOYSA-N -1 1 277.748 2.558 20 0 CFADMM O=C([O-])c1coc(CNCc2cc3c(cccc3F)[nH]2)c1 ZINC000426716710 534550702 /nfs/dbraw/zinc/55/07/02/534550702.db2.gz XJSIGCHBULJZEP-UHFFFAOYSA-N -1 1 288.278 2.888 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2nccc(C)n2)n1 ZINC000339304115 521384402 /nfs/dbraw/zinc/38/44/02/521384402.db2.gz WQQZKJIYCGBLAY-UHFFFAOYSA-N -1 1 276.365 2.525 20 0 CFADMM CCC1(CC)CN(C(=O)c2cncc([O-])c2)CCS1 ZINC000335103760 521689741 /nfs/dbraw/zinc/68/97/41/521689741.db2.gz HMPKVXSYWJMMPP-UHFFFAOYSA-N -1 1 280.393 2.535 20 0 CFADMM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000057102624 521938688 /nfs/dbraw/zinc/93/86/88/521938688.db2.gz CQNDGQJYTBNJKJ-IUCAKERBSA-N -1 1 277.336 2.678 20 0 CFADMM CC[C@@H]1CCC[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000077509339 523279064 /nfs/dbraw/zinc/27/90/64/523279064.db2.gz UCYBZZJSMQMMGR-VXGBXAGGSA-N -1 1 299.374 2.622 20 0 CFADMM CCc1[nH]nc(NCc2cccc([O-])c2Cl)c1C ZINC000339299588 523658840 /nfs/dbraw/zinc/65/88/40/523658840.db2.gz XEORCCPOHFVLJA-UHFFFAOYSA-N -1 1 265.744 2.674 20 0 CFADMM CO[C@H](C)c1nc(=NC[C@@H](SC)C(C)(C)C)s[n-]1 ZINC000337859835 523906771 /nfs/dbraw/zinc/90/67/71/523906771.db2.gz IKGHZJLKOMEKOK-RKDXNWHRSA-N -1 1 289.470 2.857 20 0 CFADMM CO[C@H](C)c1nc(=NCCCSCC(C)C)s[n-]1 ZINC000337869987 523907686 /nfs/dbraw/zinc/90/76/86/523907686.db2.gz NDLZIGKCMMSPHZ-SNVBAGLBSA-N -1 1 289.470 2.859 20 0 CFADMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000340873124 524424192 /nfs/dbraw/zinc/42/41/92/524424192.db2.gz QPLJGALLTQFIRY-WPRPVWTQSA-N -1 1 291.775 2.946 20 0 CFADMM Cc1ccc(C[C@@H](C)NC(=O)c2ncccc2[O-])s1 ZINC000080247408 524663922 /nfs/dbraw/zinc/66/39/22/524663922.db2.gz DANZYPUBBPBVNG-SECBINFHSA-N -1 1 276.361 2.518 20 0 CFADMM COc1ccc(OC)c(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000340331902 524809348 /nfs/dbraw/zinc/80/93/48/524809348.db2.gz DGOWMIFLCDMDKJ-UHFFFAOYSA-N -1 1 291.278 2.801 20 0 CFADMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2sccc2Cl)CS1 ZINC000334893998 524930772 /nfs/dbraw/zinc/93/07/72/524930772.db2.gz VDTNUECVHSNRFB-BQBZGAKWSA-N -1 1 297.854 2.574 20 0 CFADMM C[C@@H]1COCC[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000314520145 525139735 /nfs/dbraw/zinc/13/97/35/525139735.db2.gz GIFDUJXBJUEKKF-IAQYHMDHSA-N -1 1 285.343 2.700 20 0 CFADMM CSC1(c2nc(-c3ccc([O-])cc3F)no2)CC1 ZINC000336332647 525343046 /nfs/dbraw/zinc/34/30/46/525343046.db2.gz JMHKGVRJHLYBJS-UHFFFAOYSA-N -1 1 266.297 2.933 20 0 CFADMM C[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[O-])c2nccn21 ZINC000335178169 525433896 /nfs/dbraw/zinc/43/38/96/525433896.db2.gz XDDIPAPOMGINLE-KCJUWKMLSA-N -1 1 291.738 2.678 20 0 CFADMM C[C@@]1(C(=O)[O-])CCN(Cc2cccc(Cl)c2F)C1 ZINC000167041095 525819474 /nfs/dbraw/zinc/81/94/74/525819474.db2.gz AWXMTIVHEACQSH-CYBMUJFWSA-N -1 1 271.719 2.776 20 0 CFADMM Cc1ccsc1CN(C)C(=O)c1ncc(C)cc1[O-] ZINC000334437029 525839880 /nfs/dbraw/zinc/83/98/80/525839880.db2.gz HPPIICCUSVBFIO-UHFFFAOYSA-N -1 1 276.361 2.738 20 0 CFADMM Cc1cnc(C(=O)N(C)C[C@@H]2CC=CCC2)c([O-])c1 ZINC000336352723 525966149 /nfs/dbraw/zinc/96/61/49/525966149.db2.gz FADOVXSQSJQOSZ-GFCCVEGCSA-N -1 1 260.337 2.524 20 0 CFADMM O=C(NCc1ccc(C2CC2)cc1)c1ncccc1[O-] ZINC000360812527 526656810 /nfs/dbraw/zinc/65/68/10/526656810.db2.gz LDFTUUGUZBMQCQ-UHFFFAOYSA-N -1 1 268.316 2.595 20 0 CFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CC[C@H](C)C1 ZINC000336177530 526660076 /nfs/dbraw/zinc/66/00/76/526660076.db2.gz FXTJTHDJVLBGRI-ONGXEEELSA-N -1 1 291.395 2.707 20 0 CFADMM O=C(c1cncc([O-])c1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000335064037 526881252 /nfs/dbraw/zinc/88/12/52/526881252.db2.gz RMJNZYALQCTIKR-CQSZACIVSA-N -1 1 284.315 2.748 20 0 CFADMM O=C(CSCc1cscn1)Nc1ccc(F)cc1[O-] ZINC000340331429 527029958 /nfs/dbraw/zinc/02/99/58/527029958.db2.gz RXTBTNFYHVMYAB-UHFFFAOYSA-N -1 1 298.364 2.860 20 0 CFADMM O=C(Nc1ccc(Br)cc1)c1cncc([O-])c1 ZINC000082325540 527156978 /nfs/dbraw/zinc/15/69/78/527156978.db2.gz DLPXQQAVTGXXMU-UHFFFAOYSA-N -1 1 293.120 2.802 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1COc2ccccc2C1 ZINC000340329544 527213767 /nfs/dbraw/zinc/21/37/67/527213767.db2.gz WTFKUVORZRWKRW-NSHDSACASA-N -1 1 287.290 2.721 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2c(c1)OCCO2 ZINC000340331545 527214191 /nfs/dbraw/zinc/21/41/91/527214191.db2.gz RHASTTIDDGGZKO-UHFFFAOYSA-N -1 1 289.262 2.555 20 0 CFADMM O=C(Nc1ccc(F)cc1OC(F)F)c1cncc([O-])c1 ZINC000339905007 527216050 /nfs/dbraw/zinc/21/60/50/527216050.db2.gz ACAPUDHZUZXDEI-UHFFFAOYSA-N -1 1 298.220 2.780 20 0 CFADMM O=S(=O)([N-]Cc1ccoc1)c1cc(Cl)ccc1F ZINC000340860474 527232911 /nfs/dbraw/zinc/23/29/11/527232911.db2.gz IQDHECPGHCLTOT-UHFFFAOYSA-N -1 1 289.715 2.551 20 0 CFADMM O=S(=O)([N-]c1c2c(ccc1Cl)OCC2)c1ccoc1 ZINC000334942499 527245200 /nfs/dbraw/zinc/24/52/00/527245200.db2.gz JALGNCRAVBSFCC-UHFFFAOYSA-N -1 1 299.735 2.669 20 0 CFADMM O=C(Nc1ccsc1)c1[n-]cnc1C(=O)c1ccccc1 ZINC000361891429 527470075 /nfs/dbraw/zinc/47/00/75/527470075.db2.gz HUOXMLGGTJEZGH-UHFFFAOYSA-N -1 1 297.339 2.955 20 0 CFADMM C/C(=C\c1ccccc1)CN(C)C(=O)c1ncccc1[O-] ZINC000427564834 527532981 /nfs/dbraw/zinc/53/29/81/527532981.db2.gz QZUXYNXQPQYETF-ACCUITESSA-N -1 1 282.343 2.963 20 0 CFADMM O=C(NCC(F)F)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338393574 527558925 /nfs/dbraw/zinc/55/89/25/527558925.db2.gz XFIFMEWHKRYLGS-UHFFFAOYSA-N -1 1 286.665 2.589 20 0 CFADMM CCO[C@@H]1C[C@@H](NC(=O)c2cncc([O-])c2)C1(CC)CC ZINC000175454223 527829902 /nfs/dbraw/zinc/82/99/02/527829902.db2.gz OTZDJOIVIYXEDI-ZIAGYGMSSA-N -1 1 292.379 2.501 20 0 CFADMM CCO[C@H](CCNC(=O)c1cc(F)ccc1[O-])C(C)C ZINC000175263816 528049075 /nfs/dbraw/zinc/04/90/75/528049075.db2.gz WWKNCWJSFCYEBB-CQSZACIVSA-N -1 1 283.343 2.712 20 0 CFADMM CCCCC[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000427769871 528274694 /nfs/dbraw/zinc/27/46/94/528274694.db2.gz WHHGMDBSZOYNHY-LBPRGKRZSA-N -1 1 262.353 2.972 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2ccc(CO)cc2)n1 ZINC000168687603 528570213 /nfs/dbraw/zinc/57/02/13/528570213.db2.gz NBJMUUAXNLYLHT-UHFFFAOYSA-N -1 1 290.388 2.507 20 0 CFADMM CC[C@@H]([N-]S(=O)(=O)c1nc(C)c(C)s1)C(C)(C)C ZINC000435213906 535807653 /nfs/dbraw/zinc/80/76/53/535807653.db2.gz QCWRQKWMMLKXMT-SNVBAGLBSA-N -1 1 290.454 2.863 20 0 CFADMM CC[C@H](C)[C@@H](OC)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456781004 535910088 /nfs/dbraw/zinc/91/00/88/535910088.db2.gz JLFIXHPFGGWQGX-JVXZTZIISA-N -1 1 273.279 2.670 20 0 CFADMM CO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([O-])cc2F)C12CCC2 ZINC000456671384 536789125 /nfs/dbraw/zinc/78/91/25/536789125.db2.gz YLTRHZJHUQEGOI-ZIAGYGMSSA-N -1 1 293.338 2.561 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)C2=CC[C@H](C)CC2)c1 ZINC000456052930 536791230 /nfs/dbraw/zinc/79/12/30/536791230.db2.gz FHSKJXJTFVRGNQ-JTQLQIEISA-N -1 1 289.331 2.864 20 0 CFADMM COc1ccccc1CNC(=O)c1c(F)ccc([O-])c1F ZINC000355412848 537045880 /nfs/dbraw/zinc/04/58/80/537045880.db2.gz YIRHSLIBYKAZSA-UHFFFAOYSA-N -1 1 293.269 2.609 20 0 CFADMM Cc1nn(C)cc1[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000727858475 574068605 /nfs/dbraw/zinc/06/86/05/574068605.db2.gz AIJGPNWBORIMJI-MRVPVSSYSA-N -1 1 293.754 2.579 20 0 CFADMM CCOCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730359259 574077077 /nfs/dbraw/zinc/07/70/77/574077077.db2.gz IOUYEOOOHBRMRF-UHFFFAOYSA-N -1 1 279.119 2.892 20 0 CFADMM CC[C@H](Sc1nc(-c2cc(F)cc(F)c2)n[nH]1)C(=O)[O-] ZINC000736929072 574086557 /nfs/dbraw/zinc/08/65/57/574086557.db2.gz OACMBFYJCWTDHR-VIFPVBQESA-N -1 1 299.302 2.705 20 0 CFADMM CSCCCOC(=O)c1c([O-])cc(F)cc1F ZINC000744881706 574092015 /nfs/dbraw/zinc/09/20/15/574092015.db2.gz XBFYVLFOBRBTTA-UHFFFAOYSA-N -1 1 262.277 2.580 20 0 CFADMM CSC[C@H](C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744998190 574096149 /nfs/dbraw/zinc/09/61/49/574096149.db2.gz PSKKOXMJXXOHOX-JTQLQIEISA-N -1 1 296.388 2.680 20 0 CFADMM O=C(Cc1c(F)cccc1F)[N-]OCc1ccc(F)cc1 ZINC000754720464 574116395 /nfs/dbraw/zinc/11/63/95/574116395.db2.gz JGOCRMDRJCWCHH-UHFFFAOYSA-N -1 1 295.260 2.894 20 0 CFADMM Cc1ccc([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)o1 ZINC000737328736 574136153 /nfs/dbraw/zinc/13/61/53/574136153.db2.gz CSBOTQIDWMTOBJ-GFCCVEGCSA-N -1 1 296.334 2.505 20 0 CFADMM Cc1ccc([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)o1 ZINC000737328736 574136154 /nfs/dbraw/zinc/13/61/54/574136154.db2.gz CSBOTQIDWMTOBJ-GFCCVEGCSA-N -1 1 296.334 2.505 20 0 CFADMM CCCCCC[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000746401116 574148148 /nfs/dbraw/zinc/14/81/48/574148148.db2.gz JLDYHYOBDLGGQU-UHFFFAOYSA-N -1 1 276.427 2.619 20 0 CFADMM CCC(CC)[C@@H](O)CNC(=O)c1c([O-])cccc1Cl ZINC000732300573 574149655 /nfs/dbraw/zinc/14/96/55/574149655.db2.gz CDRNBXIIGODKEA-LBPRGKRZSA-N -1 1 285.771 2.573 20 0 CFADMM CSc1ccc(CN2CCC(N(C)C(=O)[O-])CC2)cc1 ZINC000738143507 574158395 /nfs/dbraw/zinc/15/83/95/574158395.db2.gz GAMOZOMUYHKUAO-UHFFFAOYSA-N -1 1 294.420 2.983 20 0 CFADMM COCC1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000732835294 574174727 /nfs/dbraw/zinc/17/47/27/574174727.db2.gz WYZHGBDWEJICPV-UHFFFAOYSA-N -1 1 283.755 2.544 20 0 CFADMM C[C@H](NC(=O)[O-])[C@H]1CCCCN1Cc1ccccc1F ZINC000739004288 574192879 /nfs/dbraw/zinc/19/28/79/574192879.db2.gz UVIWGDJNGZCKMZ-SMDDNHRTSA-N -1 1 280.343 2.836 20 0 CFADMM CN(CCOCC1CC1)C(=O)c1c([O-])cccc1Cl ZINC000755871225 574193394 /nfs/dbraw/zinc/19/33/94/574193394.db2.gz JXQMNZMBXMCHHC-UHFFFAOYSA-N -1 1 283.755 2.544 20 0 CFADMM CCN(CC)c1ccc(NC(=O)C2=C([O-])C(C)N=N2)cc1 ZINC000747650787 574204946 /nfs/dbraw/zinc/20/49/46/574204946.db2.gz IXBWGHGDALQKAM-UHFFFAOYSA-N -1 1 288.351 2.522 20 0 CFADMM Cc1ccc(CNCc2ccc(C(=O)[O-])o2)cc1F ZINC000756284800 574221490 /nfs/dbraw/zinc/22/14/90/574221490.db2.gz HRDUPQVPXTVAFW-UHFFFAOYSA-N -1 1 263.268 2.715 20 0 CFADMM CN(C(=O)[O-])[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000739587209 574222950 /nfs/dbraw/zinc/22/29/50/574222950.db2.gz UXZZFHDHZJUOHH-FUVBFXSKSA-N -1 1 274.364 2.774 20 0 CFADMM CN(C(=O)[O-])[C@@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000739587209 574222955 /nfs/dbraw/zinc/22/29/55/574222955.db2.gz UXZZFHDHZJUOHH-FUVBFXSKSA-N -1 1 274.364 2.774 20 0 CFADMM O=C([O-])c1coc(CNCC2=Cc3ccccc3OC2)c1 ZINC000756306130 574223959 /nfs/dbraw/zinc/22/39/59/574223959.db2.gz HTIJBSRRCVCIAZ-UHFFFAOYSA-N -1 1 285.299 2.543 20 0 CFADMM CC(C)OCCCOC(=O)c1c([O-])cc(F)cc1F ZINC000733470620 574239994 /nfs/dbraw/zinc/23/99/94/574239994.db2.gz MTMFRZILDMZPPU-UHFFFAOYSA-N -1 1 274.263 2.642 20 0 CFADMM CCC[C@H](CCO)CNC(=O)c1c([O-])cccc1Cl ZINC000748377923 574249885 /nfs/dbraw/zinc/24/98/85/574249885.db2.gz YSKVHLJLNMUYCP-SNVBAGLBSA-N -1 1 285.771 2.574 20 0 CFADMM CC(C)C[C@H](CCO)CNC(=O)c1c([O-])cccc1Cl ZINC000748392767 574250545 /nfs/dbraw/zinc/25/05/45/574250545.db2.gz ALLRKFUKOMMVQT-NSHDSACASA-N -1 1 299.798 2.820 20 0 CFADMM CCS[C@@H]1CCCC[C@H]1[N-]C(=O)C(F)(F)F ZINC000750145088 574327622 /nfs/dbraw/zinc/32/76/22/574327622.db2.gz SRQZWRQVFFOERT-HTQZYQBOSA-N -1 1 255.305 2.729 20 0 CFADMM C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000739055944 574335727 /nfs/dbraw/zinc/33/57/27/574335727.db2.gz YNLVSMBKRVWCCV-WDEREUQCSA-N -1 1 282.771 2.991 20 0 CFADMM CCCCCC[C@@](C)(CCC)C(=O)NCc1nn[n-]n1 ZINC000742663243 574338412 /nfs/dbraw/zinc/33/84/12/574338412.db2.gz IZLHJYVBKPXIQL-CQSZACIVSA-N -1 1 281.404 2.593 20 0 CFADMM C[C@H](c1ccc(F)cc1F)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739060290 574339805 /nfs/dbraw/zinc/33/98/05/574339805.db2.gz YAUCSQKNLIJOHB-MNOVXSKESA-N -1 1 298.333 2.958 20 0 CFADMM C[C@H](C(=O)Nc1sccc1C(=O)[O-])N1CCCCCC1 ZINC000736219781 574355389 /nfs/dbraw/zinc/35/53/89/574355389.db2.gz ROBSHLZQXZJDIG-SNVBAGLBSA-N -1 1 296.392 2.649 20 0 CFADMM C[C@@H]1C[C@H]1c1ccc(CNc2cccc(-c3nnn[n-]3)n2)o1 ZINC000736242151 574356421 /nfs/dbraw/zinc/35/64/21/574356421.db2.gz ZEZCPWNRRKXUNH-MWLCHTKSSA-N -1 1 296.334 2.590 20 0 CFADMM C[C@@H]1C[C@H]1c1ccc(CNc2cccc(-c3nn[n-]n3)n2)o1 ZINC000736242151 574356423 /nfs/dbraw/zinc/35/64/23/574356423.db2.gz ZEZCPWNRRKXUNH-MWLCHTKSSA-N -1 1 296.334 2.590 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1cc2occc2[nH]1 ZINC000750824865 574357125 /nfs/dbraw/zinc/35/71/25/574357125.db2.gz BEOFVSCFARAWMY-UHFFFAOYSA-N -1 1 260.224 2.858 20 0 CFADMM Cc1nc(C(=O)Nc2c([O-])cccc2F)c2ccccn12 ZINC000743416615 574363176 /nfs/dbraw/zinc/36/31/76/574363176.db2.gz RBNHRKAVJHUZMO-UHFFFAOYSA-N -1 1 285.278 2.740 20 0 CFADMM CC[C@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000736351997 574364890 /nfs/dbraw/zinc/36/48/90/574364890.db2.gz UHIAVQUBAOTEDC-GFCCVEGCSA-N -1 1 294.362 2.867 20 0 CFADMM CC[C@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000736351997 574364891 /nfs/dbraw/zinc/36/48/91/574364891.db2.gz UHIAVQUBAOTEDC-GFCCVEGCSA-N -1 1 294.362 2.867 20 0 CFADMM CC[C@H](C)[C@](C)(O)CNC(=O)c1c([O-])cccc1Cl ZINC000743482118 574366397 /nfs/dbraw/zinc/36/63/97/574366397.db2.gz NTBHIJDXXXNEEI-LKFCYVNXSA-N -1 1 285.771 2.573 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1(C2CC2)CC1 ZINC000752403608 574391065 /nfs/dbraw/zinc/39/10/65/574391065.db2.gz PLOGFHPGVRNKSB-UHFFFAOYSA-N -1 1 289.379 2.534 20 0 CFADMM CS[C@H](C)CNC(=O)c1c([O-])cccc1Cl ZINC000752630458 574393302 /nfs/dbraw/zinc/39/33/02/574393302.db2.gz LGYMZIWFOBSPAB-SSDOTTSWSA-N -1 1 259.758 2.527 20 0 CFADMM C[C@H]1C[C@H](CCNC(=O)c2c([O-])cccc2Cl)CCO1 ZINC000753152641 574399453 /nfs/dbraw/zinc/39/94/53/574399453.db2.gz YNSBACLFXZYVHN-WDEREUQCSA-N -1 1 297.782 2.981 20 0 CFADMM CO[C@@H]1C[C@H](NC(=O)c2c([O-])cccc2Cl)C1(C)C ZINC000753342949 574401559 /nfs/dbraw/zinc/40/15/59/574401559.db2.gz PMHGGFCGDLRQKR-WDEREUQCSA-N -1 1 283.755 2.589 20 0 CFADMM CCC(CC)CCOC(=O)c1sccc1-c1nn[n-]n1 ZINC000825106442 608275920 /nfs/dbraw/zinc/27/59/20/608275920.db2.gz CMVIUGIVWCJAHA-UHFFFAOYSA-N -1 1 294.380 2.911 20 0 CFADMM O=C([O-])Cc1cccc(NCc2ccc3nc[nH]c3c2)c1 ZINC000819579593 597139549 /nfs/dbraw/zinc/13/95/49/597139549.db2.gz HQAYMILSNYTXSH-UHFFFAOYSA-N -1 1 281.315 2.802 20 0 CFADMM COc1ccsc1CNCc1ccc(C(=O)[O-])cc1 ZINC000818635801 597229261 /nfs/dbraw/zinc/22/92/61/597229261.db2.gz PBSDXLSCAJPHIT-UHFFFAOYSA-N -1 1 277.345 2.745 20 0 CFADMM CO[C@@H](C)c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821673684 607315885 /nfs/dbraw/zinc/31/58/85/607315885.db2.gz IZGJYBUMENGQCB-JTQLQIEISA-N -1 1 299.334 2.779 20 0 CFADMM CO[C@@H](C)c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821673684 607315886 /nfs/dbraw/zinc/31/58/86/607315886.db2.gz IZGJYBUMENGQCB-JTQLQIEISA-N -1 1 299.334 2.779 20 0 CFADMM O=C([O-])C1CCN(Cc2cscc2Cl)CC1 ZINC000821510704 598120217 /nfs/dbraw/zinc/12/02/17/598120217.db2.gz JDFQUICUBLHJHC-UHFFFAOYSA-N -1 1 259.758 2.698 20 0 CFADMM C[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000095160632 598576968 /nfs/dbraw/zinc/57/69/68/598576968.db2.gz NCQUNSSMYMNCMD-VIFPVBQESA-N -1 1 292.774 2.542 20 0 CFADMM C[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000095160632 598576970 /nfs/dbraw/zinc/57/69/70/598576970.db2.gz NCQUNSSMYMNCMD-VIFPVBQESA-N -1 1 292.774 2.542 20 0 CFADMM Cc1ccccc1[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000095326142 599398248 /nfs/dbraw/zinc/39/82/48/599398248.db2.gz FUJDTNGWIBFKLT-LLVKDONJSA-N -1 1 280.335 2.743 20 0 CFADMM Cc1ccccc1[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000095326142 599398254 /nfs/dbraw/zinc/39/82/54/599398254.db2.gz FUJDTNGWIBFKLT-LLVKDONJSA-N -1 1 280.335 2.743 20 0 CFADMM Clc1ccc(CNc2cccc(-c3nnn[n-]3)n2)s1 ZINC000095147463 599403625 /nfs/dbraw/zinc/40/36/25/599403625.db2.gz RGERUDTZFUZBMZ-UHFFFAOYSA-N -1 1 292.755 2.589 20 0 CFADMM Clc1ccc(CNc2cccc(-c3nn[n-]n3)n2)s1 ZINC000095147463 599403627 /nfs/dbraw/zinc/40/36/27/599403627.db2.gz RGERUDTZFUZBMZ-UHFFFAOYSA-N -1 1 292.755 2.589 20 0 CFADMM CC(C)CCN(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820077051 599487084 /nfs/dbraw/zinc/48/70/84/599487084.db2.gz ZDJOSGOLPGEGQV-UHFFFAOYSA-N -1 1 296.378 2.897 20 0 CFADMM CC(C)CCN(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820077051 599487085 /nfs/dbraw/zinc/48/70/85/599487085.db2.gz ZDJOSGOLPGEGQV-UHFFFAOYSA-N -1 1 296.378 2.897 20 0 CFADMM C[C@@H](Sc1nccnc1-c1nn[n-]n1)c1cccs1 ZINC000095156232 599532127 /nfs/dbraw/zinc/53/21/27/599532127.db2.gz QSWISLZTULNXFE-SSDOTTSWSA-N -1 1 290.377 2.572 20 0 CFADMM C[C@@H](CN(C)[C@@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000086807809 600374079 /nfs/dbraw/zinc/37/40/79/600374079.db2.gz TWLVKPPPLSPKDO-IUCAKERBSA-N -1 1 257.280 2.678 20 0 CFADMM CCCC[C@H](Sc1nc(-c2ccccn2)n[nH]1)C(=O)[O-] ZINC000829295675 600839930 /nfs/dbraw/zinc/83/99/30/600839930.db2.gz JORHCNUTAGNNKX-JTQLQIEISA-N -1 1 292.364 2.602 20 0 CFADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C1CCC1 ZINC000824654944 607903663 /nfs/dbraw/zinc/90/36/63/607903663.db2.gz ANASFFLEHWJLOI-SSDOTTSWSA-N -1 1 278.747 2.516 20 0 CFADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C1CCC1 ZINC000824654944 607903664 /nfs/dbraw/zinc/90/36/64/607903664.db2.gz ANASFFLEHWJLOI-SSDOTTSWSA-N -1 1 278.747 2.516 20 0 CFADMM O=C([O-])[C@H](NCc1cccc(Cl)n1)c1ccccc1 ZINC000833170128 600996917 /nfs/dbraw/zinc/99/69/17/600996917.db2.gz PMLVJTNWYHBIMM-CYBMUJFWSA-N -1 1 276.723 2.651 20 0 CFADMM C/C(=C/CN[C@H](c1ccccc1)c1ccccn1)C(=O)[O-] ZINC000825747185 601154939 /nfs/dbraw/zinc/15/49/39/601154939.db2.gz QKOLCEDKDOCAKC-IVOILVROSA-N -1 1 282.343 2.792 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@]12C[C@H]1CCC2 ZINC000935598818 649920499 /nfs/dbraw/zinc/92/04/99/649920499.db2.gz XOJVJVFTXITAMB-JMCQJSRRSA-N -1 1 252.701 2.569 20 0 CFADMM O=C(C[C@H]1CC[C@@H](C2CC2)O1)Nc1nc(Cl)ccc1[O-] ZINC000935598222 649920939 /nfs/dbraw/zinc/92/09/39/649920939.db2.gz MGZZHOQLKYFWPE-KOLCDFICSA-N -1 1 296.754 2.727 20 0 CFADMM CC(C)Cc1ccc(CN2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000826912989 601445735 /nfs/dbraw/zinc/44/57/35/601445735.db2.gz MYNOQEVHBGYKPA-INIZCTEOSA-N -1 1 279.355 2.884 20 0 CFADMM CCCCC[C@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)[O-] ZINC000829333137 601760824 /nfs/dbraw/zinc/76/08/24/601760824.db2.gz IQPWLBGABNHPTM-NSHDSACASA-N -1 1 299.754 2.809 20 0 CFADMM CN(Cc1ccsc1C(=O)[O-])Cc1cccc(O)c1 ZINC000830851554 601828938 /nfs/dbraw/zinc/82/89/38/601828938.db2.gz DQDVXNZHPQEWDW-UHFFFAOYSA-N -1 1 277.345 2.784 20 0 CFADMM C[C@@H]1C[C@@H]1c1ccc(CNCc2c[nH]c(C(=O)[O-])c2)o1 ZINC000828199860 601831731 /nfs/dbraw/zinc/83/17/31/601831731.db2.gz AORBFNIOCZVXQN-SKDRFNHKSA-N -1 1 274.320 2.719 20 0 CFADMM O=C([O-])c1sccc1CN1CCOC2(CCCCC2)C1 ZINC000833349009 601834181 /nfs/dbraw/zinc/83/41/81/601834181.db2.gz XUPOQXXXRBYIMA-UHFFFAOYSA-N -1 1 295.404 2.981 20 0 CFADMM CC[C@]1(C)CCN(CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000829049945 602241079 /nfs/dbraw/zinc/24/10/79/602241079.db2.gz ICPZSBYECYKOOV-MRXNPFEDSA-N -1 1 292.379 2.634 20 0 CFADMM CC1(C)CN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])C1 ZINC000935717269 649933204 /nfs/dbraw/zinc/93/32/04/649933204.db2.gz HXVRCWRAROIVBE-UHFFFAOYSA-N -1 1 299.326 2.947 20 0 CFADMM CC(C)Oc1ccccc1CN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000824424685 603490523 /nfs/dbraw/zinc/49/05/23/603490523.db2.gz FCDKPXJVOFXEDH-AWEZNQCLSA-N -1 1 292.379 2.658 20 0 CFADMM Fc1ccc(Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826375699 608169079 /nfs/dbraw/zinc/16/90/79/608169079.db2.gz YQHORLHWVHPKOP-UHFFFAOYSA-N -1 1 296.718 2.859 20 0 CFADMM CC(C)(C)c1csc([N-]C(=O)c2nnc(C3CC3)o2)n1 ZINC000900326518 620662432 /nfs/dbraw/zinc/66/24/32/620662432.db2.gz GMTOVTXKBOTPFR-UHFFFAOYSA-N -1 1 292.364 2.953 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000825262957 604204362 /nfs/dbraw/zinc/20/43/62/604204362.db2.gz DPDMSSGGEDYBCY-MNOVXSKESA-N -1 1 298.333 2.833 20 0 CFADMM C[C@H](N[C@H]1CCCCN(C(=O)[O-])C1)c1cccnc1Cl ZINC000825478168 604320663 /nfs/dbraw/zinc/32/06/63/604320663.db2.gz FKAACKLSTGKGII-QWRGUYRKSA-N -1 1 297.786 2.918 20 0 CFADMM O=C([O-])NCCN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000832641979 604370882 /nfs/dbraw/zinc/37/08/82/604370882.db2.gz QVVROOZBRFXZQN-CYBMUJFWSA-N -1 1 266.316 2.620 20 0 CFADMM Cc1ccccc1-c1cnc(CNC(C)(C)CC(=O)[O-])o1 ZINC000832974203 604442961 /nfs/dbraw/zinc/44/29/61/604442961.db2.gz GRDIRYYAAYLACR-UHFFFAOYSA-N -1 1 288.347 2.993 20 0 CFADMM COc1ccc2oc(CN3CCCC[C@@H]3C(=O)[O-])cc2c1 ZINC000263420557 604652041 /nfs/dbraw/zinc/65/20/41/604652041.db2.gz ORWDUOQPCIZXRF-CQSZACIVSA-N -1 1 289.331 2.881 20 0 CFADMM CCc1ncc(CN(CC(=O)[O-])C2CCCC2)s1 ZINC000833677889 604663404 /nfs/dbraw/zinc/66/34/04/604663404.db2.gz ZJJSLJIJQJXXAV-UHFFFAOYSA-N -1 1 268.382 2.535 20 0 CFADMM C/C(=C/c1ccccc1)CN1CC[C@](F)(C(=O)[O-])C1 ZINC000833386044 604682146 /nfs/dbraw/zinc/68/21/46/604682146.db2.gz MGMPTTVDUNFPMN-HMVFGEFZSA-N -1 1 263.312 2.589 20 0 CFADMM CCC[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)N(C)C ZINC000833647498 604713059 /nfs/dbraw/zinc/71/30/59/604713059.db2.gz FELYLEIYCJRGFJ-LBPRGKRZSA-N -1 1 298.770 2.707 20 0 CFADMM CCC[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)N(C)C ZINC000833648264 604713144 /nfs/dbraw/zinc/71/31/44/604713144.db2.gz QKDIDHASTLPGSS-LBPRGKRZSA-N -1 1 298.770 2.707 20 0 CFADMM COc1ccccc1[C@H](C)N[C@H](C(=O)[O-])c1cccnc1 ZINC000832597524 604973352 /nfs/dbraw/zinc/97/33/52/604973352.db2.gz ZHFWJRIAZCCGAN-NHYWBVRUSA-N -1 1 286.331 2.567 20 0 CFADMM C[C@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccco1 ZINC000833410829 605057677 /nfs/dbraw/zinc/05/76/77/605057677.db2.gz HLXCMHZNLGCPST-QMMMGPOBSA-N -1 1 299.286 2.596 20 0 CFADMM Clc1nsc(NCC2(C3CC3)CC2)c1-c1nnn[n-]1 ZINC000826354306 607736724 /nfs/dbraw/zinc/73/67/24/607736724.db2.gz XKCDAANURBIKOL-UHFFFAOYSA-N -1 1 296.787 2.579 20 0 CFADMM Clc1nsc(NCC2(C3CC3)CC2)c1-c1nn[n-]n1 ZINC000826354306 607736725 /nfs/dbraw/zinc/73/67/25/607736725.db2.gz XKCDAANURBIKOL-UHFFFAOYSA-N -1 1 296.787 2.579 20 0 CFADMM C[C@@H]1CC[C@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)C1 ZINC000833606492 605153790 /nfs/dbraw/zinc/15/37/90/605153790.db2.gz QIKHQWSFHJGOPR-BDAKNGLRSA-N -1 1 287.319 2.636 20 0 CFADMM CCc1cnccc1[C@@H](C)NCc1cc(C(=O)[O-])co1 ZINC000833674900 605273006 /nfs/dbraw/zinc/27/30/06/605273006.db2.gz VTQCYIUWGWIXJU-SNVBAGLBSA-N -1 1 274.320 2.786 20 0 CFADMM C[C@H](c1ccco1)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000833548648 605294020 /nfs/dbraw/zinc/29/40/20/605294020.db2.gz GJKFNAYMEDYPKL-GFCCVEGCSA-N -1 1 289.331 2.936 20 0 CFADMM C[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2)C[C@H]1F ZINC000833615961 605390830 /nfs/dbraw/zinc/39/08/30/605390830.db2.gz OAZRKBWXNYELRW-ZWNOBZJWSA-N -1 1 251.301 2.565 20 0 CFADMM Cc1nc([C@H](C)NCC[C@@H]2CCCN(C(=O)[O-])C2)cs1 ZINC000830709278 605479143 /nfs/dbraw/zinc/47/91/43/605479143.db2.gz HYOPVIGAASRMLR-JQWIXIFHSA-N -1 1 297.424 2.882 20 0 CFADMM C[C@H](Oc1ccc(CN2CC[C@H](C)[C@H](F)C2)cc1)C(=O)[O-] ZINC000833541492 605490933 /nfs/dbraw/zinc/49/09/33/605490933.db2.gz NCTJUHDIOSRHPB-SLEUVZQESA-N -1 1 295.354 2.718 20 0 CFADMM O=C([O-])NC[C@@H]1CCCCN1Cc1cnc2ccccc2c1 ZINC000834222090 605559947 /nfs/dbraw/zinc/55/99/47/605559947.db2.gz YEELKLIOHQBRJX-HNNXBMFYSA-N -1 1 299.374 2.857 20 0 CFADMM CCc1ncc(CN2CCC[C@@H](C)[C@H]2CNC(=O)[O-])s1 ZINC000833865655 605605786 /nfs/dbraw/zinc/60/57/86/605605786.db2.gz BBXGHXIOPJICDQ-ZYHUDNBSSA-N -1 1 297.424 2.574 20 0 CFADMM O=C([O-])N(CC1CC1)C1CCN(Cc2ccoc2)CC1 ZINC000834062906 605612335 /nfs/dbraw/zinc/61/23/35/605612335.db2.gz OUCWRHYRGWJZCN-UHFFFAOYSA-N -1 1 278.352 2.634 20 0 CFADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833637357 605627186 /nfs/dbraw/zinc/62/71/86/605627186.db2.gz DGXSJVURQRQNHO-RKDXNWHRSA-N -1 1 289.335 2.882 20 0 CFADMM O=C([O-])Nc1cccc(CN2CCOCC23CCCC3)c1 ZINC000834268885 605762228 /nfs/dbraw/zinc/76/22/28/605762228.db2.gz LTUVRYBKMHZERH-UHFFFAOYSA-N -1 1 290.363 2.922 20 0 CFADMM O=C([O-])c1cccc(CNCc2ccc(Cl)o2)c1 ZINC000700605093 605763571 /nfs/dbraw/zinc/76/35/71/605763571.db2.gz RGPRWZHSFGMBPX-UHFFFAOYSA-N -1 1 265.696 2.921 20 0 CFADMM O=C([O-])N1CCN(Cc2cccnc2)C2(CCCCC2)C1 ZINC000834112968 605765873 /nfs/dbraw/zinc/76/58/73/605765873.db2.gz MKKFWBKDCGTQCG-UHFFFAOYSA-N -1 1 289.379 2.580 20 0 CFADMM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2F)C[C@H](C)S1 ZINC000231028281 605834505 /nfs/dbraw/zinc/83/45/05/605834505.db2.gz MLQUGBYFPYTNGS-UWVGGRQHSA-N -1 1 283.368 2.850 20 0 CFADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1Cc1ccc(Cl)s1 ZINC000833834308 605897555 /nfs/dbraw/zinc/89/75/55/605897555.db2.gz NBUDNFOSCMLNNU-DTWKUNHWSA-N -1 1 288.800 2.880 20 0 CFADMM Cc1cc(N2CC[C@H](NC(=O)[O-])C2)c2cc(F)ccc2n1 ZINC000830078848 605906019 /nfs/dbraw/zinc/90/60/19/605906019.db2.gz PLAGNLYIIVYPGN-NSHDSACASA-N -1 1 289.310 2.529 20 0 CFADMM CC(C)(C)C(=O)CSc1cccc(F)c1-c1nn[n-]n1 ZINC000819891768 606173977 /nfs/dbraw/zinc/17/39/77/606173977.db2.gz GSCLUYVZCRFZNA-UHFFFAOYSA-N -1 1 294.355 2.713 20 0 CFADMM CC(C)C1(CNc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000820038034 606608484 /nfs/dbraw/zinc/60/84/84/606608484.db2.gz IXSRVICQEKFGTP-UHFFFAOYSA-N -1 1 298.803 2.825 20 0 CFADMM CC(C)C1(CNc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000820038034 606608485 /nfs/dbraw/zinc/60/84/85/606608485.db2.gz IXSRVICQEKFGTP-UHFFFAOYSA-N -1 1 298.803 2.825 20 0 CFADMM CCCN(C(=O)c1ccc(-c2nnn[n-]2)s1)C(C)(C)C ZINC000821082453 606660731 /nfs/dbraw/zinc/66/07/31/606660731.db2.gz KVJCQGHHDSTLGU-UHFFFAOYSA-N -1 1 293.396 2.579 20 0 CFADMM CCCN(C(=O)c1ccc(-c2nn[n-]n2)s1)C(C)(C)C ZINC000821082453 606660732 /nfs/dbraw/zinc/66/07/32/606660732.db2.gz KVJCQGHHDSTLGU-UHFFFAOYSA-N -1 1 293.396 2.579 20 0 CFADMM Clc1ccc(NCCC2=CCCC2)nc1-c1nnn[n-]1 ZINC000826352875 607809555 /nfs/dbraw/zinc/80/95/55/607809555.db2.gz RBDSTLLPMHNDLB-UHFFFAOYSA-N -1 1 290.758 2.827 20 0 CFADMM Clc1ccc(NCCC2=CCCC2)nc1-c1nn[n-]n1 ZINC000826352875 607809556 /nfs/dbraw/zinc/80/95/56/607809556.db2.gz RBDSTLLPMHNDLB-UHFFFAOYSA-N -1 1 290.758 2.827 20 0 CFADMM c1cc(Sc2ccc3c(c2)CCC3)nc(-c2nnn[n-]2)c1 ZINC000826517608 607896048 /nfs/dbraw/zinc/89/60/48/607896048.db2.gz JDYVISNYKHNGRJ-UHFFFAOYSA-N -1 1 295.371 2.902 20 0 CFADMM c1cc(Sc2ccc3c(c2)CCC3)nc(-c2nn[n-]n2)c1 ZINC000826517608 607896049 /nfs/dbraw/zinc/89/60/49/607896049.db2.gz JDYVISNYKHNGRJ-UHFFFAOYSA-N -1 1 295.371 2.902 20 0 CFADMM CCCCC[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000825268771 607897358 /nfs/dbraw/zinc/89/73/58/607897358.db2.gz XVKMOJQGMNJMIM-JTQLQIEISA-N -1 1 260.345 2.642 20 0 CFADMM CCCCC[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000825268771 607897359 /nfs/dbraw/zinc/89/73/59/607897359.db2.gz XVKMOJQGMNJMIM-JTQLQIEISA-N -1 1 260.345 2.642 20 0 CFADMM Clc1ccc2c(c1)N(c1cccc(-c3nnn[n-]3)n1)CC2 ZINC000826352508 607898399 /nfs/dbraw/zinc/89/83/99/607898399.db2.gz DGAUCPQPIDPLFI-UHFFFAOYSA-N -1 1 298.737 2.609 20 0 CFADMM Clc1ccc2c(c1)N(c1cccc(-c3nn[n-]n3)n1)CC2 ZINC000826352508 607898400 /nfs/dbraw/zinc/89/84/00/607898400.db2.gz DGAUCPQPIDPLFI-UHFFFAOYSA-N -1 1 298.737 2.609 20 0 CFADMM Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)c(F)c1 ZINC000826291336 608112687 /nfs/dbraw/zinc/11/26/87/608112687.db2.gz ASWODSBHZNNNJA-UHFFFAOYSA-N -1 1 273.271 2.519 20 0 CFADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)c(F)c1 ZINC000826291336 608112688 /nfs/dbraw/zinc/11/26/88/608112688.db2.gz ASWODSBHZNNNJA-UHFFFAOYSA-N -1 1 273.271 2.519 20 0 CFADMM Fc1ccc(Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826375699 608169078 /nfs/dbraw/zinc/16/90/78/608169078.db2.gz YQHORLHWVHPKOP-UHFFFAOYSA-N -1 1 296.718 2.859 20 0 CFADMM C[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C(C)(C)C1 ZINC000824999944 608187379 /nfs/dbraw/zinc/18/73/79/608187379.db2.gz KVUMXPIFMDZUJA-LURJTMIESA-N -1 1 298.803 2.601 20 0 CFADMM C[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C(C)(C)C1 ZINC000824999944 608187381 /nfs/dbraw/zinc/18/73/81/608187381.db2.gz KVUMXPIFMDZUJA-LURJTMIESA-N -1 1 298.803 2.601 20 0 CFADMM Cc1ccc(C)c(CSc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826285300 608415524 /nfs/dbraw/zinc/41/55/24/608415524.db2.gz VAGGBWPNZAZESF-UHFFFAOYSA-N -1 1 298.375 2.566 20 0 CFADMM Cc1ccc(C)c(CSc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826285300 608415526 /nfs/dbraw/zinc/41/55/26/608415526.db2.gz VAGGBWPNZAZESF-UHFFFAOYSA-N -1 1 298.375 2.566 20 0 CFADMM c1cc(-c2nnn[n-]2)oc1CN1CC2(CC2)c2ccccc21 ZINC000826523738 609174408 /nfs/dbraw/zinc/17/44/08/609174408.db2.gz WLBDQPSASRCGON-UHFFFAOYSA-N -1 1 293.330 2.512 20 0 CFADMM c1cc(-c2nn[n-]n2)oc1CN1CC2(CC2)c2ccccc21 ZINC000826523738 609174409 /nfs/dbraw/zinc/17/44/09/609174409.db2.gz WLBDQPSASRCGON-UHFFFAOYSA-N -1 1 293.330 2.512 20 0 CFADMM C[C@@H]1CC[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)[C@@H](C)C1 ZINC000900700066 620703142 /nfs/dbraw/zinc/70/31/42/620703142.db2.gz UHXVTRUDVSONAJ-GBIKHYSHSA-N -1 1 289.379 2.614 20 0 CFADMM CC(C)C1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC000900852635 620721527 /nfs/dbraw/zinc/72/15/27/620721527.db2.gz JLVUFHLOMCPRKJ-UHFFFAOYSA-N -1 1 289.379 2.568 20 0 CFADMM CC[C@@H](C)CN(CC)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900946813 620730794 /nfs/dbraw/zinc/73/07/94/620730794.db2.gz TXGLDQMUZPHXMY-SNVBAGLBSA-N -1 1 277.368 2.568 20 0 CFADMM CC(C)CC(C)(C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900983603 620739200 /nfs/dbraw/zinc/73/92/00/620739200.db2.gz IAYHJHYVXBXQRJ-UHFFFAOYSA-N -1 1 291.395 2.862 20 0 CFADMM O=C([O-])c1cnc(N[C@H]2CCCc3cn[nH]c32)c(Cl)c1 ZINC000900988267 620739847 /nfs/dbraw/zinc/73/98/47/620739847.db2.gz JMXXZKXNVLITJF-JTQLQIEISA-N -1 1 292.726 2.646 20 0 CFADMM O=C([N-]c1ccnc(Cl)c1F)c1snnc1C1CC1 ZINC000891511813 617644541 /nfs/dbraw/zinc/64/45/41/617644541.db2.gz ZACQNCVUAVOOQB-UHFFFAOYSA-N -1 1 298.730 2.855 20 0 CFADMM CS[C@H](C)CCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891622203 617689510 /nfs/dbraw/zinc/68/95/10/617689510.db2.gz NTLPEIHKFTWWLP-SECBINFHSA-N -1 1 295.408 2.531 20 0 CFADMM CC1(C)CCCC[C@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901025846 620743907 /nfs/dbraw/zinc/74/39/07/620743907.db2.gz LPJJRRFVOAMVKS-GFCCVEGCSA-N -1 1 289.379 2.758 20 0 CFADMM CC[C@H]1c2ccccc2CN1C(=O)c1cncc([O-])c1 ZINC000890611988 617700861 /nfs/dbraw/zinc/70/08/61/617700861.db2.gz DZAOSIKWSVFSQO-HNNXBMFYSA-N -1 1 268.316 2.894 20 0 CFADMM CCc1ccccc1CNCc1ccc(C(=O)[O-])o1 ZINC000084200578 617705285 /nfs/dbraw/zinc/70/52/85/617705285.db2.gz ARCGVDIMWJAZAE-UHFFFAOYSA-N -1 1 259.305 2.830 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(=O)C[C@H]1C1CC1 ZINC000891768869 617743805 /nfs/dbraw/zinc/74/38/05/617743805.db2.gz FPXSBZHCGJOJFA-ZDUSSCGKSA-N -1 1 293.750 2.629 20 0 CFADMM Cc1cccc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)n1 ZINC000255016368 617749141 /nfs/dbraw/zinc/74/91/41/617749141.db2.gz UPSZVLMAIIZXOU-KTKRTIGZSA-N -1 1 292.335 2.942 20 0 CFADMM CC1(C)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093460283 617829911 /nfs/dbraw/zinc/82/99/11/617829911.db2.gz RSEOULMEVAYFDU-UHFFFAOYSA-N -1 1 270.716 2.938 20 0 CFADMM CSc1ccc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)o1 ZINC000901499252 620836965 /nfs/dbraw/zinc/83/69/65/620836965.db2.gz ITOZZNUOTBUNNI-NSHDSACASA-N -1 1 281.377 2.688 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(F)CCOCC1 ZINC000866869751 617930021 /nfs/dbraw/zinc/93/00/21/617930021.db2.gz ZQKUHDOFVJCVQS-UHFFFAOYSA-N -1 1 273.691 2.503 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)CCC(C)C ZINC000078776348 618217261 /nfs/dbraw/zinc/21/72/61/618217261.db2.gz ZOJWJXGZPCORRN-NSHDSACASA-N -1 1 293.411 2.756 20 0 CFADMM C[C@H](C[N-]C(=O)C(F)(F)C(F)F)Oc1cccc(F)c1 ZINC000176923384 618229047 /nfs/dbraw/zinc/22/90/47/618229047.db2.gz SHGOVMULRHGURB-SSDOTTSWSA-N -1 1 297.223 2.610 20 0 CFADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cc(-c2ccco2)on1 ZINC000235364179 618250776 /nfs/dbraw/zinc/25/07/76/618250776.db2.gz CRUAVZAPLOVRKN-GHMZBOCLSA-N -1 1 290.319 2.620 20 0 CFADMM Cn1ccc(NCc2c([O-])ccc(Cl)c2F)n1 ZINC000191310519 618401759 /nfs/dbraw/zinc/40/17/59/618401759.db2.gz QCVCDVGAEULRMB-UHFFFAOYSA-N -1 1 255.680 2.530 20 0 CFADMM Cc1oc(NC(=O)c2ccccc2[O-])nc1C1CC1 ZINC000892508904 618430933 /nfs/dbraw/zinc/43/09/33/618430933.db2.gz MPLXDXBIRASZNH-UHFFFAOYSA-N -1 1 258.277 2.818 20 0 CFADMM Cc1oc(C(=O)[O-])cc1CNCc1ccsc1 ZINC000235829263 618447823 /nfs/dbraw/zinc/44/78/23/618447823.db2.gz QAWDPBJTCASANL-UHFFFAOYSA-N -1 1 251.307 2.638 20 0 CFADMM CCc1oc(CN[C@H](C)CC(F)(F)F)cc1C(=O)[O-] ZINC000901450232 620816803 /nfs/dbraw/zinc/81/68/03/620816803.db2.gz MVTHDPQCDWPZDX-SSDOTTSWSA-N -1 1 279.258 2.971 20 0 CFADMM CCN(Cc1ccoc1)Cc1ccc(OCC(=O)[O-])cc1 ZINC000901430392 620817820 /nfs/dbraw/zinc/81/78/20/620817820.db2.gz XITCWIUCIJKIRC-UHFFFAOYSA-N -1 1 289.331 2.765 20 0 CFADMM CCc1oc(CN2CCS[C@H](C)[C@@H]2C)cc1C(=O)[O-] ZINC000901434056 620819074 /nfs/dbraw/zinc/81/90/74/620819074.db2.gz QABKOWWPPXEJGQ-VHSXEESVSA-N -1 1 283.393 2.866 20 0 CFADMM CC[C@H](CC(=O)NCc1n[n-]c(=S)n1CC)C(C)C ZINC000066636741 618631294 /nfs/dbraw/zinc/63/12/94/618631294.db2.gz IORVJCQICYHOBT-SNVBAGLBSA-N -1 1 284.429 2.649 20 0 CFADMM O=S(=O)(Cc1ccccc1)[N-]c1cccc(Cl)n1 ZINC000162275759 618682821 /nfs/dbraw/zinc/68/28/21/618682821.db2.gz HYQHWABXEZAAFW-UHFFFAOYSA-N -1 1 282.752 2.677 20 0 CFADMM Cc1cc(F)ccc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000167097860 618710023 /nfs/dbraw/zinc/71/00/23/618710023.db2.gz WKVPAVSWQZVSPB-UHFFFAOYSA-N -1 1 298.339 2.748 20 0 CFADMM Cc1cc(F)ccc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000167097860 618710026 /nfs/dbraw/zinc/71/00/26/618710026.db2.gz WKVPAVSWQZVSPB-UHFFFAOYSA-N -1 1 298.339 2.748 20 0 CFADMM COCc1nc(N2CC[C@@H](c3ccccc3)[C@H]2C)cc(=O)[n-]1 ZINC000892860651 618759074 /nfs/dbraw/zinc/75/90/74/618759074.db2.gz OHBRYHLEHMVGIX-TZMCWYRMSA-N -1 1 299.374 2.711 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)C(F)(F)C(F)F ZINC000182880348 618901509 /nfs/dbraw/zinc/90/15/09/618901509.db2.gz ZQHRSILGZUMJHN-UHFFFAOYSA-N -1 1 271.597 2.885 20 0 CFADMM CC(=O)[C@@H]1C[C@H](C(=O)Nc2nc(Cl)ccc2[O-])C1(C)C ZINC000194580637 618937810 /nfs/dbraw/zinc/93/78/10/618937810.db2.gz AKKFNNIAZCUHAG-DTWKUNHWSA-N -1 1 296.754 2.630 20 0 CFADMM Clc1cc(=NOC[C@H]2CCOC2)nc(C2CCC2)[n-]1 ZINC000893428124 618988698 /nfs/dbraw/zinc/98/86/98/618988698.db2.gz SSPSGNYMRNVWIM-VIFPVBQESA-N -1 1 283.759 2.778 20 0 CFADMM Oc1ccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)cc1F ZINC000893486502 619016002 /nfs/dbraw/zinc/01/60/02/619016002.db2.gz BAAXJRYUWWILTK-SNVBAGLBSA-N -1 1 275.270 2.735 20 0 CFADMM C[C@H]1CC[C@H](CCC(=O)Nc2nc(Cl)ccc2[O-])O1 ZINC000188346867 619105950 /nfs/dbraw/zinc/10/59/50/619105950.db2.gz OYGYVWUTRWAUAN-DTWKUNHWSA-N -1 1 284.743 2.727 20 0 CFADMM C[C@@H](NCc1cc(C(=O)[O-])co1)c1ccsc1 ZINC000228171756 619159373 /nfs/dbraw/zinc/15/93/73/619159373.db2.gz GVWTUMYDIAPLBS-MRVPVSSYSA-N -1 1 251.307 2.890 20 0 CFADMM O=C(NCc1cc(C2CC2)no1)c1ccc(Cl)cc1[O-] ZINC000894282094 619306356 /nfs/dbraw/zinc/30/63/56/619306356.db2.gz YAZCKXHKHYASCR-UHFFFAOYSA-N -1 1 292.722 2.841 20 0 CFADMM C[C@H]1CNc2c([N-]c3nc4ccc(F)cc4o3)cnn2C1 ZINC000894950138 619517497 /nfs/dbraw/zinc/51/74/97/619517497.db2.gz WLPSZGBXCSPCAB-QMMMGPOBSA-N -1 1 287.298 2.969 20 0 CFADMM C[C@H]1CO[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000896223176 619693836 /nfs/dbraw/zinc/69/38/36/619693836.db2.gz FASZQBLGFWCCLZ-HQJQHLMTSA-N -1 1 264.256 2.679 20 0 CFADMM CC(C)(O)[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000832472467 625364306 /nfs/dbraw/zinc/36/43/06/625364306.db2.gz ORZMJGFZLMRYEJ-SNVBAGLBSA-N -1 1 297.782 2.669 20 0 CFADMM C[C@@]1(CNC(=O)c2c([O-])cccc2Cl)CCCCO1 ZINC000832477668 625365179 /nfs/dbraw/zinc/36/51/79/625365179.db2.gz OKTYQBKIDAAPGJ-AWEZNQCLSA-N -1 1 283.755 2.735 20 0 CFADMM O=C(NCc1ccc([O-])c(Cl)c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000896312063 619716124 /nfs/dbraw/zinc/71/61/24/619716124.db2.gz ZNMAYNPEEKVXNL-TXEJJXNPSA-N -1 1 294.782 2.987 20 0 CFADMM CCc1ccc([C@@H](C)C(=O)[N-]OCc2ccccn2)cc1 ZINC000909533802 619733281 /nfs/dbraw/zinc/73/32/81/619733281.db2.gz OVBSLMQDTJJCOD-CYBMUJFWSA-N -1 1 284.359 2.996 20 0 CFADMM CS[C@H](C)CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897168978 619943660 /nfs/dbraw/zinc/94/36/60/619943660.db2.gz SRDQLGBFDYRPEU-SECBINFHSA-N -1 1 291.372 2.732 20 0 CFADMM CC(C)(/C=C\Cl)NC(=O)c1ccc([O-])c(F)c1 ZINC000928929844 620071476 /nfs/dbraw/zinc/07/14/76/620071476.db2.gz METAWSJHFQNYNX-WAYWQWQTSA-N -1 1 257.692 2.792 20 0 CFADMM CC(C)C[C@H](C(=O)[N-]OC[C@@H]1CCOC1)c1ccccc1 ZINC000788273597 620106772 /nfs/dbraw/zinc/10/67/72/620106772.db2.gz LQZYGJSKUHPDIK-ZBFHGGJFSA-N -1 1 291.391 2.901 20 0 CFADMM C[C@]1(F)CCCN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000263392258 620138516 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ZINC000903900379 621467709 /nfs/dbraw/zinc/46/77/09/621467709.db2.gz GEPCSQQMTVDYAK-UHFFFAOYSA-N -1 1 282.384 2.905 20 0 CFADMM O=C([O-])[C@@H]1C[C@H]1CN1CCc2ccc(C(F)(F)F)cc2C1 ZINC000903911378 621471690 /nfs/dbraw/zinc/47/16/90/621471690.db2.gz FCMTXGXJYPLIBN-WCQYABFASA-N -1 1 299.292 2.784 20 0 CFADMM CCO[C@H]1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000903935215 621477515 /nfs/dbraw/zinc/47/75/15/621477515.db2.gz UZPIITCYDQRPBS-NSHDSACASA-N -1 1 283.755 2.649 20 0 CFADMM Cc1c[nH]nc1CN[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000903998098 621496885 /nfs/dbraw/zinc/49/68/85/621496885.db2.gz DFXGWGQSNUIDHR-LBPRGKRZSA-N -1 1 293.754 2.677 20 0 CFADMM C[C@H](C(=O)[O-])[C@@H](NCc1cn(C2CC2)cn1)c1ccccc1 ZINC000904005107 621505255 /nfs/dbraw/zinc/50/52/55/621505255.db2.gz OTUPGGSHPNAJBN-BLLLJJGKSA-N -1 1 299.374 2.770 20 0 CFADMM CSC[C@@H](NCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000904041202 621510402 /nfs/dbraw/zinc/51/04/02/621510402.db2.gz MFUMFILWVKTQGW-SECBINFHSA-N -1 1 295.738 2.524 20 0 CFADMM 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CC(C)c1ncsc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000836742807 630874917 /nfs/dbraw/zinc/87/49/17/630874917.db2.gz KXSQVINXLDEQBD-VIFPVBQESA-N -1 1 285.369 2.846 20 0 CFADMM CCCn1cc([N-]c2nnc(-c3ccccn3)s2)cn1 ZINC000807986284 630931246 /nfs/dbraw/zinc/93/12/46/630931246.db2.gz HNWPYERPWLVFPE-UHFFFAOYSA-N -1 1 286.364 2.950 20 0 CFADMM CO[C@@H]([C@@H](C)NC(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000837013259 630937724 /nfs/dbraw/zinc/93/77/24/630937724.db2.gz LWAUWDDCZVOSMP-OQPBUACISA-N -1 1 283.755 2.589 20 0 CFADMM CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000837024106 630940046 /nfs/dbraw/zinc/94/00/46/630940046.db2.gz RESKSLYPCILYJI-SNVBAGLBSA-N -1 1 272.270 2.636 20 0 CFADMM COC[C@@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000837144388 630963549 /nfs/dbraw/zinc/96/35/49/630963549.db2.gz CXGBHXZZZOHJQQ-JTQLQIEISA-N -1 1 283.755 2.687 20 0 CFADMM CC(C)=CCOC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000808543391 631010895 /nfs/dbraw/zinc/01/08/95/631010895.db2.gz GWTREDNAPSLLIA-UHFFFAOYSA-N -1 1 290.294 2.840 20 0 CFADMM CON(C(=O)c1c(F)ccc([O-])c1F)C1CCCC1 ZINC000809765938 631282276 /nfs/dbraw/zinc/28/22/76/631282276.db2.gz PZJVWJKBZDSQGU-UHFFFAOYSA-N -1 1 271.263 2.617 20 0 CFADMM Cc1ccc(-c2n[nH]cc2C=C2SC(=O)[N-]C2=O)cc1 ZINC000810191952 631341473 /nfs/dbraw/zinc/34/14/73/631341473.db2.gz AQYXCILANLSUIG-IZZDOVSWSA-N -1 1 285.328 2.709 20 0 CFADMM O=C([O-])C[C@@H](NCc1ccoc1)c1ccsc1 ZINC000841795976 631472720 /nfs/dbraw/zinc/47/27/20/631472720.db2.gz YRNJRCOTMKMNTQ-LLVKDONJSA-N -1 1 251.307 2.647 20 0 CFADMM O=C([O-])[C@H](F)CNCc1ccccc1OC1CCCC1 ZINC000841816342 631475558 /nfs/dbraw/zinc/47/55/58/631475558.db2.gz RYAPOHKWMDFVNG-CYBMUJFWSA-N -1 1 281.327 2.520 20 0 CFADMM C[C@H](O[N-]C(=O)CC(C)(C)C)C(=O)NC1CCC(C)CC1 ZINC000842062749 631520195 /nfs/dbraw/zinc/52/01/95/631520195.db2.gz ABKUEJGXPBFKGX-CPCZMJQVSA-N -1 1 298.427 2.554 20 0 CFADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CO[N-]C(=O)CC(C)(C)C ZINC000842063186 631521269 /nfs/dbraw/zinc/52/12/69/631521269.db2.gz JLSBWNWDJHUIJA-OLZOCXBDSA-N -1 1 298.427 2.508 20 0 CFADMM CCOCC(C)(C)CNC(=O)c1c([O-])cccc1Cl ZINC000811550440 631579394 /nfs/dbraw/zinc/57/93/94/631579394.db2.gz NHOXYZLFHFSFMG-UHFFFAOYSA-N -1 1 285.771 2.838 20 0 CFADMM Cc1cccc([C@@H](C)C(=O)[N-]OC/C=C/Cl)c1 ZINC000812401943 631702996 /nfs/dbraw/zinc/70/29/96/631702996.db2.gz BPGKAISCDHPDKR-TZOMUSMUSA-N -1 1 253.729 2.899 20 0 CFADMM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1cncc([O-])c1 ZINC000812417139 631712129 /nfs/dbraw/zinc/71/21/29/631712129.db2.gz DEIHQFHCOJMDHN-NEPJUHHUSA-N -1 1 278.352 2.617 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CC(C2CC2)C1 ZINC000812649752 631752663 /nfs/dbraw/zinc/75/26/63/631752663.db2.gz CRGRCDCTFXWQHT-UHFFFAOYSA-N -1 1 251.713 2.528 20 0 CFADMM O=C([N-]CC[C@@H]1CSc2ccccc2O1)C(F)(F)F ZINC000843964132 632084667 /nfs/dbraw/zinc/08/46/67/632084667.db2.gz WOMCKTIMEZVGIU-MRVPVSSYSA-N -1 1 291.294 2.608 20 0 CFADMM Cc1cnccc1SCCC[N-]C(=O)C(F)(F)F ZINC000814806859 632128667 /nfs/dbraw/zinc/12/86/67/632128667.db2.gz UKXCZUNDBJSTJH-UHFFFAOYSA-N -1 1 278.299 2.551 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O=c1nc(N2CCO[C@H](C3CCCCC3)C2)cc(Cl)[n-]1 ZINC000858481400 636265532 /nfs/dbraw/zinc/26/55/32/636265532.db2.gz KFWAXHQCQJDFRO-NSHDSACASA-N -1 1 297.786 2.621 20 0 CFADMM CC[C@H](CC(F)(F)F)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858483566 636266932 /nfs/dbraw/zinc/26/69/32/636266932.db2.gz SJFXHJVNFRMQJN-RXMQYKEDSA-N -1 1 269.654 2.979 20 0 CFADMM CC(C)O[C@@H]1C[C@@H](Nc2cc(Cl)[n-]c(=O)n2)C1(C)C ZINC000858486463 636269218 /nfs/dbraw/zinc/26/92/18/636269218.db2.gz QNXMCIYZHNFHPC-RKDXNWHRSA-N -1 1 285.775 2.840 20 0 CFADMM C[C@H](CC(F)(F)F)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858486023 636269256 /nfs/dbraw/zinc/26/92/56/636269256.db2.gz KZKSJODHNWMWLN-SCSAIBSYSA-N -1 1 255.627 2.588 20 0 CFADMM O=c1nc(NC[C@H]2CC23CCSCC3)cc(Cl)[n-]1 ZINC000858572380 636297165 /nfs/dbraw/zinc/29/71/65/636297165.db2.gz NWDWSJAYYDEOBT-MRVPVSSYSA-N -1 1 285.800 2.781 20 0 CFADMM O=c1nc(N2CCCC[C@H]2C2CCC2)cc(Cl)[n-]1 ZINC000858601081 636305189 /nfs/dbraw/zinc/30/51/89/636305189.db2.gz BNULSTKTMVRFHB-JTQLQIEISA-N -1 1 267.760 2.995 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CN(C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1CCC1 ZINC000932043512 649528085 /nfs/dbraw/zinc/52/80/85/649528085.db2.gz NWLFDUQMEDPTNZ-UHFFFAOYSA-N -1 1 286.335 2.594 20 0 CFADMM CC12CC(C1)CN2C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932061278 649530670 /nfs/dbraw/zinc/53/06/70/649530670.db2.gz YGLIVGGUVXYIML-UHFFFAOYSA-N -1 1 298.346 2.594 20 0 CFADMM CC(C)Oc1cc(F)ccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001243438248 782200260 /nfs/dbraw/zinc/20/02/60/782200260.db2.gz BXRAMCMTBPYPDC-UHFFFAOYSA-N -1 1 299.309 2.855 20 0 CFADMM CC(C)Oc1cc(F)ccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001243438248 782200264 /nfs/dbraw/zinc/20/02/64/782200264.db2.gz BXRAMCMTBPYPDC-UHFFFAOYSA-N -1 1 299.309 2.855 20 0 CFADMM COC(=O)c1nc2cc(-c3ccc(F)c(N)c3)ccc2[n-]1 ZINC001243455119 782206298 /nfs/dbraw/zinc/20/62/98/782206298.db2.gz KMJXTEGFZWEAQU-UHFFFAOYSA-N -1 1 285.278 2.738 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc(F)c(N)c3)cc2[n-]1 ZINC001243455119 782206305 /nfs/dbraw/zinc/20/63/05/782206305.db2.gz KMJXTEGFZWEAQU-UHFFFAOYSA-N -1 1 285.278 2.738 20 0 CFADMM O=C1C[C@H](c2cccc(-c3cc(F)cc(F)c3[O-])c2)CN1 ZINC001243502637 782236751 /nfs/dbraw/zinc/23/67/51/782236751.db2.gz LTCFNWSRMLGSIC-NSHDSACASA-N -1 1 289.281 2.941 20 0 CFADMM COC(=O)c1cnccc1-c1cc(F)cc(F)c1[O-] ZINC001243503885 782238441 /nfs/dbraw/zinc/23/84/41/782238441.db2.gz HCVCGWKEXOJAAC-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM CC(C)Cn1cc(-c2cc(F)cc(F)c2[O-])cnc1=O ZINC001243504253 782240202 /nfs/dbraw/zinc/24/02/02/782240202.db2.gz KFRKJKUNJQYQLP-UHFFFAOYSA-N -1 1 280.274 2.550 20 0 CFADMM O=C([O-])c1ccc(-c2cccn3cncc23)c(F)c1F ZINC001243516243 782250827 /nfs/dbraw/zinc/25/08/27/782250827.db2.gz SCTQSNUFALQNBV-UHFFFAOYSA-N -1 1 274.226 2.978 20 0 CFADMM CC(=O)Nc1ccnc(-c2c(F)cc([O-])cc2F)c1 ZINC001241117824 782251528 /nfs/dbraw/zinc/25/15/28/782251528.db2.gz ZIJYAGIJIBSLHG-UHFFFAOYSA-N -1 1 264.231 2.691 20 0 CFADMM Cc1c(C(N)=O)cccc1-c1c(F)cc([O-])cc1F ZINC001241121034 782252958 /nfs/dbraw/zinc/25/29/58/782252958.db2.gz YZKGMCAUYBMPHT-UHFFFAOYSA-N -1 1 263.243 2.745 20 0 CFADMM COc1cnc(-c2cccc([O-])c2F)nc1NC1CC1 ZINC001243540772 782262825 /nfs/dbraw/zinc/26/28/25/782262825.db2.gz AVNPSPBTGPTHSC-UHFFFAOYSA-N -1 1 275.283 2.571 20 0 CFADMM O=c1ccccn1-c1nccc(-c2ccc(Cl)c([O-])c2)n1 ZINC001243579004 782289027 /nfs/dbraw/zinc/28/90/27/782289027.db2.gz OHCHKYRSUJSQNF-UHFFFAOYSA-N -1 1 299.717 2.654 20 0 CFADMM Cn1ccc2nc(-c3ccc(Cl)c([O-])c3)ncc21 ZINC001243576775 782287252 /nfs/dbraw/zinc/28/72/52/782287252.db2.gz UUZFYCKZLRJGMZ-UHFFFAOYSA-N -1 1 259.696 2.994 20 0 CFADMM CS(=O)(=O)c1ccnc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243578220 782287283 /nfs/dbraw/zinc/28/72/83/782287283.db2.gz DWZBQFZRNXCXCA-UHFFFAOYSA-N -1 1 283.736 2.511 20 0 CFADMM Cc1noc2ncnc(-c3ccc(Cl)c([O-])c3)c12 ZINC001243577951 782287435 /nfs/dbraw/zinc/28/74/35/782287435.db2.gz GBCMTIQGZFOWAS-UHFFFAOYSA-N -1 1 261.668 2.952 20 0 CFADMM CCOC(=O)c1cncc(-c2ccc(Cl)c([O-])c2)n1 ZINC001243576723 782287521 /nfs/dbraw/zinc/28/75/21/782287521.db2.gz UFZUGOQTRUCSAR-UHFFFAOYSA-N -1 1 278.695 2.679 20 0 CFADMM COc1cc(-c2ccc(Cl)c([O-])c2)nc(OC)n1 ZINC001243577330 782287875 /nfs/dbraw/zinc/28/78/75/782287875.db2.gz XYPCEONKPPWCSJ-UHFFFAOYSA-N -1 1 266.684 2.520 20 0 CFADMM O=c1ccnc2ccc(-c3ccc(Cl)c([O-])c3)cn12 ZINC001243581666 782290246 /nfs/dbraw/zinc/29/02/46/782290246.db2.gz QEBAZLGMGJNBOL-UHFFFAOYSA-N -1 1 272.691 2.721 20 0 CFADMM O=c1[nH]c(=O)c2cc(-c3ccc(Cl)c([O-])c3)ccc2o1 ZINC001243580417 782290505 /nfs/dbraw/zinc/29/05/05/782290505.db2.gz COSMYUKMQCTXBC-UHFFFAOYSA-N -1 1 289.674 2.920 20 0 CFADMM O=[P@]([O-])(O)CCCCO[C@H]1CC2CCC1CC2 ZINC001225019602 775337170 /nfs/dbraw/zinc/33/71/70/775337170.db2.gz YNQPQDYKHKVIPJ-MCIGGMRASA-N -1 1 262.286 2.540 20 0 CFADMM CC1(C)CCC[C@@H](OCCCC[P@](=O)([O-])O)C1 ZINC001225018665 778814870 /nfs/dbraw/zinc/81/48/70/778814870.db2.gz DWIINAZYKBEBNL-LLVKDONJSA-N -1 1 264.302 2.930 20 0 CFADMM Cc1cccc([N-]S(=O)(=O)Cc2ccccc2F)c1O ZINC000396484612 769829532 /nfs/dbraw/zinc/82/95/32/769829532.db2.gz ZQKZICSXZFGZDF-UHFFFAOYSA-N -1 1 295.335 2.782 20 0 CFADMM C[N@@H+]1CC=C(Nc2nc3c(cccc3O)s2)CC1 ZINC001208720256 769928209 /nfs/dbraw/zinc/92/82/09/769928209.db2.gz ZMJBBBJDMLMYIZ-UHFFFAOYSA-N -1 1 261.350 2.633 20 0 CFADMM CSc1cc(N)n(-c2cccc(Cl)c2[O-])n1 ZINC001210220062 770241230 /nfs/dbraw/zinc/24/12/30/770241230.db2.gz KPHMLXQKCBKKCM-UHFFFAOYSA-N -1 1 255.730 2.535 20 0 CFADMM Cc1ccc(CO)cc1Nc1ccnc(Cl)c1[O-] ZINC001210678060 770350653 /nfs/dbraw/zinc/35/06/53/770350653.db2.gz UUVYFOIJRGGQMC-UHFFFAOYSA-N -1 1 264.712 2.985 20 0 CFADMM CSc1nc(Nc2cc(F)c(N)c(F)c2)cc(=O)[n-]1 ZINC001210908137 770388846 /nfs/dbraw/zinc/38/88/46/770388846.db2.gz IMIBGTZZEVLUNM-UHFFFAOYSA-N -1 1 284.291 2.508 20 0 CFADMM Cc1cnc2ncc(-c3cc(F)c([O-])cc3F)cc2n1 ZINC001211340457 770486330 /nfs/dbraw/zinc/48/63/30/770486330.db2.gz VDFMPGUHLVEZAW-UHFFFAOYSA-N -1 1 273.242 2.984 20 0 CFADMM CSc1nc(Nc2ccnc(OC(C)C)c2)cc(=O)[n-]1 ZINC001215767927 770554261 /nfs/dbraw/zinc/55/42/61/770554261.db2.gz WEHAKUNQEYRXLM-UHFFFAOYSA-N -1 1 292.364 2.830 20 0 CFADMM Cc1ccc2nc(N)n(-c3cc(C)cc(C(=O)[O-])c3)c2c1 ZINC001211534843 770822899 /nfs/dbraw/zinc/82/28/99/770822899.db2.gz GTQPZBDRNGOKFS-UHFFFAOYSA-N -1 1 281.315 2.923 20 0 CFADMM CSc1nc(Nc2cc(Cl)cc(CO)c2)cc(=O)[n-]1 ZINC001216434615 770924174 /nfs/dbraw/zinc/92/41/74/770924174.db2.gz GVJOXIDENCZGJF-UHFFFAOYSA-N -1 1 297.767 2.793 20 0 CFADMM CC[C@@H](OCC[P@](=O)([O-])O)c1cccc(F)c1C ZINC001224602712 775223981 /nfs/dbraw/zinc/22/39/81/775223981.db2.gz SOHPLLDKGHWGNW-GFCCVEGCSA-N -1 1 276.244 2.780 20 0 CFADMM O=[P@]([O-])(O)CCO[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001224603383 775224383 /nfs/dbraw/zinc/22/43/83/775224383.db2.gz XTGPIQOKNXRYPT-KGLIPLIRSA-N -1 1 284.292 2.907 20 0 CFADMM C[C@H](OCC[P@](=O)([O-])O)c1csc(Cl)c1 ZINC001224608087 775226580 /nfs/dbraw/zinc/22/65/80/775226580.db2.gz YYSAAWQDSJRONX-LURJTMIESA-N -1 1 270.674 2.657 20 0 CFADMM C[C@@H](OCCCC[P@](=O)([O-])O)c1cccs1 ZINC001225022421 775338206 /nfs/dbraw/zinc/33/82/06/775338206.db2.gz OYUFRAJNFARQSG-SECBINFHSA-N -1 1 264.283 2.784 20 0 CFADMM C[C@H](OCCCC[P@](=O)([O-])O)c1ccccc1 ZINC001225021481 775338530 /nfs/dbraw/zinc/33/85/30/775338530.db2.gz HYSCBBDIXLJLRD-NSHDSACASA-N -1 1 258.254 2.722 20 0 CFADMM CCOC(=O)[C@H]1CCC[C@@H]1Oc1cc([O-])ccc1C(C)=O ZINC001225615401 775523349 /nfs/dbraw/zinc/52/33/49/775523349.db2.gz ANCIZMIATWXWQJ-KBPBESRZSA-N -1 1 292.331 2.705 20 0 CFADMM CC(=O)c1ccc([O-])cc1OC[C@H]1CCCCO1 ZINC001225617595 775525037 /nfs/dbraw/zinc/52/50/37/775525037.db2.gz YAZNZUZOYVVGTL-GFCCVEGCSA-N -1 1 250.294 2.543 20 0 CFADMM CCOC(=O)[C@@H]1CC[C@H](Oc2cc([O-])ccc2C(C)=O)C1 ZINC001225619845 775527509 /nfs/dbraw/zinc/52/75/09/775527509.db2.gz XZMHMIVJLNTBDY-YPMHNXCESA-N -1 1 292.331 2.705 20 0 CFADMM COc1ccc([C@@H](C)Oc2cc(=O)[n-]c(=S)[nH]2)c(F)c1 ZINC001225762675 775584835 /nfs/dbraw/zinc/58/48/35/775584835.db2.gz PBHZBRQYLLPSIC-SSDOTTSWSA-N -1 1 296.323 2.759 20 0 CFADMM O=c1cc(O[C@H]2CCc3cc(F)ccc32)[nH]c(=S)[n-]1 ZINC001225762176 775584983 /nfs/dbraw/zinc/58/49/83/775584983.db2.gz HPIOQGHLZBVCPJ-JTQLQIEISA-N -1 1 278.308 2.676 20 0 CFADMM CCOC(=O)c1c[n-]c(=O)nc1O[C@H]1CCCC[C@@H]1CC ZINC001225899988 775627784 /nfs/dbraw/zinc/62/77/84/775627784.db2.gz WHRDWZJWDPTJBJ-JQWIXIFHSA-N -1 1 294.351 2.707 20 0 CFADMM CCOC(=O)c1c[n-]c(=O)nc1O[C@H]1CCCC[C@H]1CC ZINC001225899989 775627791 /nfs/dbraw/zinc/62/77/91/775627791.db2.gz WHRDWZJWDPTJBJ-PWSUYJOCSA-N -1 1 294.351 2.707 20 0 CFADMM CCCC/C=C/[C@H](C)Oc1nc(=O)[n-]cc1C(=O)OCC ZINC001225899849 775628021 /nfs/dbraw/zinc/62/80/21/775628021.db2.gz SBSFXIKTDRLVRD-FBOQAHMBSA-N -1 1 294.351 2.873 20 0 CFADMM CCOC(=O)c1c[n-]c(=O)nc1OC1[C@H](C)CCC[C@H]1C ZINC001225899148 775628467 /nfs/dbraw/zinc/62/84/67/775628467.db2.gz JEASXHJJJBPBJD-NXEZZACHSA-N -1 1 294.351 2.562 20 0 CFADMM CC(=O)c1c[n-]c(=O)nc1OC1[C@H](C)CCC[C@H]1C ZINC001226234944 775745481 /nfs/dbraw/zinc/74/54/81/775745481.db2.gz AUAVUEVIYKLZTC-RKDXNWHRSA-N -1 1 264.325 2.588 20 0 CFADMM CC(=O)c1c[n-]c(=O)nc1O[C@@H]1C[C@@H](C)CC[C@@H]1C ZINC001226234991 775745528 /nfs/dbraw/zinc/74/55/28/775745528.db2.gz BKVYXHNUZSKMEW-HOTUBEGUSA-N -1 1 264.325 2.588 20 0 CFADMM CC(C)=CCC[C@@H](C)Oc1nc(=O)[n-]cc1C(C)=O ZINC001226237139 775747178 /nfs/dbraw/zinc/74/71/78/775747178.db2.gz GSSRHDBWEFHVJM-SNVBAGLBSA-N -1 1 264.325 2.899 20 0 CFADMM CC(=O)c1c[n-]c(=O)nc1OC1CCC(C(C)C)CC1 ZINC001226237656 775747889 /nfs/dbraw/zinc/74/78/89/775747889.db2.gz MIJSWQHLFFALET-UHFFFAOYSA-N -1 1 278.352 2.978 20 0 CFADMM CCCCC[C@H](C)Oc1nc(=O)[n-]cc1C(C)=O ZINC001226237257 775747932 /nfs/dbraw/zinc/74/79/32/775747932.db2.gz HUHJIWUKEDBVBX-VIFPVBQESA-N -1 1 252.314 2.732 20 0 CFADMM COc1ccc([C@@H](C)Oc2[n-]c(=S)ncc2OC)cc1 ZINC001226242780 775750830 /nfs/dbraw/zinc/75/08/30/775750830.db2.gz STNSGXLGFXVCTP-SECBINFHSA-N -1 1 292.360 2.923 20 0 CFADMM CC[C@@H]1CCCC[C@@H]1Oc1nc(=O)[n-]cc1C(C)=O ZINC001226241362 775751029 /nfs/dbraw/zinc/75/10/29/775751029.db2.gz ZSYIDFCMEGFKAA-PWSUYJOCSA-N -1 1 264.325 2.732 20 0 CFADMM Cc1cc(C(=O)[O-])ccc1CN1CCO[C@H](C(C)C)C1 ZINC000708975602 775754435 /nfs/dbraw/zinc/75/44/35/775754435.db2.gz MUFSFGFUKWURCC-HNNXBMFYSA-N -1 1 277.364 2.550 20 0 CFADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H]3CCO[C@@H](C)C3)c12 ZINC001226486029 775843617 /nfs/dbraw/zinc/84/36/17/775843617.db2.gz OLXGUTFIPIUYKK-CMPLNLGQSA-N -1 1 290.315 2.753 20 0 CFADMM Cc1cc(=O)oc2cc([O-])cc(OC[C@H]3CCC=CO3)c12 ZINC001226490418 775844918 /nfs/dbraw/zinc/84/49/18/775844918.db2.gz QSHXFYQHWQXZIU-GFCCVEGCSA-N -1 1 288.299 2.879 20 0 CFADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H]3CCOC[C@@H]3C)c12 ZINC001226489546 775844970 /nfs/dbraw/zinc/84/49/70/775844970.db2.gz KSPYRAJARJJIPO-CMPLNLGQSA-N -1 1 290.315 2.611 20 0 CFADMM O=c1[n-]cncc1O[C@H](c1ccccc1)C1CCOCC1 ZINC001227051996 776073822 /nfs/dbraw/zinc/07/38/22/776073822.db2.gz SXGAIOKCOVWHSP-OAHLLOKOSA-N -1 1 286.331 2.729 20 0 CFADMM CCCCC(=O)[C@H](CCCC)Oc1cnc[n-]c1=O ZINC001227051514 776074237 /nfs/dbraw/zinc/07/42/37/776074237.db2.gz KKFQFVKEBIAJCY-LBPRGKRZSA-N -1 1 266.341 2.879 20 0 CFADMM 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/nfs/dbraw/zinc/79/99/12/778799912.db2.gz IPKNDWWVOVKMJA-UHFFFAOYSA-N -1 1 259.280 2.974 20 0 CFADMM COC(=O)c1ccc(C)c(-c2c(F)ccc(C)c2[O-])n1 ZINC001236394321 778801842 /nfs/dbraw/zinc/80/18/42/778801842.db2.gz WLDRUYBQZLCGID-UHFFFAOYSA-N -1 1 275.279 2.997 20 0 CFADMM Cc1cn2cc(-c3c(F)ccc(C)c3[O-])ncc2n1 ZINC001236405472 778803811 /nfs/dbraw/zinc/80/38/11/778803811.db2.gz VTJQFPCRAVVARN-UHFFFAOYSA-N -1 1 257.268 2.858 20 0 CFADMM Cc1cc([N-]c2noc(C(C)(C)C)n2)cnc1F ZINC001212176027 778850549 /nfs/dbraw/zinc/85/05/49/778850549.db2.gz QKMLIUFZXBSHME-UHFFFAOYSA-N -1 1 250.277 2.953 20 0 CFADMM Cc1nc2c(s1)CN(Cc1cc([O-])c(F)c(F)c1)C2 ZINC001232973686 779001375 /nfs/dbraw/zinc/00/13/75/779001375.db2.gz IESWFGDHZRPHGV-UHFFFAOYSA-N -1 1 282.315 2.951 20 0 CFADMM [O-]c1ccc(-c2noc(C[C@H]3CCCOC3)n2)cc1F ZINC000350611879 779044634 /nfs/dbraw/zinc/04/46/34/779044634.db2.gz OZIHGFYCVKGGKG-SECBINFHSA-N -1 1 278.283 2.550 20 0 CFADMM CCC[C@@H](OC)c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000351128269 779209715 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779720006 /nfs/dbraw/zinc/72/00/06/779720006.db2.gz RLDNUMLNRAXPRP-UHFFFAOYSA-N -1 1 289.241 2.641 20 0 CFADMM CCc1ccccc1-c1nc(C)cc2c1C(=O)[N-]C2=O ZINC001239745762 779742082 /nfs/dbraw/zinc/74/20/82/779742082.db2.gz XJHBYWJYBQYBOG-UHFFFAOYSA-N -1 1 266.300 2.503 20 0 CFADMM Cc1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c(C)c1 ZINC001239812432 779793628 /nfs/dbraw/zinc/79/36/28/779793628.db2.gz GRUHHSCJRLZRCS-UHFFFAOYSA-N -1 1 265.312 2.783 20 0 CFADMM O=C(c1ccc(-c2ccccc2[S-])cc1)N1CCNCC1 ZINC001240123463 779948439 /nfs/dbraw/zinc/94/84/39/779948439.db2.gz NHLBENANVRVPRH-UHFFFAOYSA-N -1 1 298.411 2.688 20 0 CFADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1nccn1C ZINC001168613357 780058714 /nfs/dbraw/zinc/05/87/14/780058714.db2.gz MVSPLMKUIQVWQE-LLVKDONJSA-N -1 1 295.342 2.770 20 0 CFADMM Cc1ccc2c(ncnc2-c2cc(F)ccc2[O-])n1 ZINC001240694549 780365230 /nfs/dbraw/zinc/36/52/30/780365230.db2.gz XRXCUMJZHIUUOM-UHFFFAOYSA-N -1 1 255.252 2.845 20 0 CFADMM COC(=O)c1ccc2ncnc(-c3cc(F)ccc3[O-])c2c1 ZINC001240693801 780365439 /nfs/dbraw/zinc/36/54/39/780365439.db2.gz ZEUQOELFLQJXSU-UHFFFAOYSA-N -1 1 298.273 2.928 20 0 CFADMM [O-]c1ccc(F)cc1-c1nccnc1OC(F)F ZINC001240696098 780367932 /nfs/dbraw/zinc/36/79/32/780367932.db2.gz AJVGIVKBEXKHMU-UHFFFAOYSA-N -1 1 256.183 2.590 20 0 CFADMM COC(=O)[C@@H](C)c1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240696271 780368080 /nfs/dbraw/zinc/36/80/80/780368080.db2.gz KSAZUTAZPVRXKF-VIFPVBQESA-N -1 1 275.279 2.870 20 0 CFADMM [O-]c1ccc(F)cc1-c1cnc(OCC(F)(F)F)cn1 ZINC001240698039 780368891 /nfs/dbraw/zinc/36/88/91/780368891.db2.gz QUMDUEDOZHQURD-UHFFFAOYSA-N -1 1 288.200 2.929 20 0 CFADMM [O-]c1cccnc1-c1nc(-c2cccc(F)c2F)no1 ZINC001212480727 780395331 /nfs/dbraw/zinc/39/53/31/780395331.db2.gz FSEQVAQUGIFFAQ-UHFFFAOYSA-N -1 1 275.214 2.782 20 0 CFADMM Cc1ccc(-c2noc(-c3ncccc3[O-])n2)c(F)c1 ZINC001212480800 780395978 /nfs/dbraw/zinc/39/59/78/780395978.db2.gz JJFFPUYINLQYAG-UHFFFAOYSA-N -1 1 271.251 2.952 20 0 CFADMM CC(=O)Nc1c(C)ccnc1-c1ccc([O-])c(F)c1 ZINC001240783251 780436704 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780645272 /nfs/dbraw/zinc/64/52/72/780645272.db2.gz LQQQUTAKCUGPFL-UHFFFAOYSA-N -1 1 261.231 2.917 20 0 CFADMM CC(C)Oc1ccc(-c2c(F)cc([O-])cc2F)nn1 ZINC001241117993 780646113 /nfs/dbraw/zinc/64/61/13/780646113.db2.gz BNHNLMABKBEFNC-UHFFFAOYSA-N -1 1 266.247 2.915 20 0 CFADMM CCOC(=O)c1ccnc(-c2c(F)cc([O-])cc2F)c1 ZINC001241117724 780646419 /nfs/dbraw/zinc/64/64/19/780646419.db2.gz WXFCNJCQVDHJBV-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM Cc1nc(-c2c(F)cc([O-])cc2F)cc(-n2ccnc2)n1 ZINC001241118860 780647242 /nfs/dbraw/zinc/64/72/42/780647242.db2.gz HQIYDEPIDAOAMN-UHFFFAOYSA-N -1 1 288.257 2.622 20 0 CFADMM Cn1nnc2ccc(-c3c(F)cc([O-])cc3F)cc21 ZINC001241120625 780648300 /nfs/dbraw/zinc/64/83/00/780648300.db2.gz DCWWGBMAFBHIMX-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM Cc1nc2[nH]ccc2nc1-c1c(F)cc([O-])cc1F ZINC001241120647 780648316 /nfs/dbraw/zinc/64/83/16/780648316.db2.gz DXJWZFXXMZEIQF-UHFFFAOYSA-N -1 1 261.231 2.917 20 0 CFADMM Cc1nccn1-c1ccc(-c2c(F)cc([O-])cc2F)nn1 ZINC001241120549 780648365 /nfs/dbraw/zinc/64/83/65/780648365.db2.gz ZVHVXQXBCVBDEA-UHFFFAOYSA-N -1 1 288.257 2.622 20 0 CFADMM [O-]c1cc(F)c(-c2cncc3nccnc32)c(F)c1 ZINC001241120594 780648893 /nfs/dbraw/zinc/64/88/93/780648893.db2.gz BUKQLOSDKVOJAS-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM NC(=O)Nc1cccc(-c2c(F)cc([O-])cc2F)c1 ZINC001241120898 780649748 /nfs/dbraw/zinc/64/97/48/780649748.db2.gz QVRIKJPEDCBQQP-UHFFFAOYSA-N -1 1 264.231 2.828 20 0 CFADMM Cc1nc2c(-c3c(F)cc([O-])cc3F)cccn2n1 ZINC001241121990 780650668 /nfs/dbraw/zinc/65/06/68/780650668.db2.gz HNUBFZDRNBCUFM-UHFFFAOYSA-N -1 1 261.231 2.689 20 0 CFADMM CC(=O)Nc1cccnc1-c1c(F)cc([O-])cc1F ZINC001241122322 780650688 /nfs/dbraw/zinc/65/06/88/780650688.db2.gz ALGPEQJKKQWRPS-UHFFFAOYSA-N -1 1 264.231 2.691 20 0 CFADMM CN(C)c1ccc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241122720 780651895 /nfs/dbraw/zinc/65/18/95/780651895.db2.gz WVALYIYSCOHLEF-UHFFFAOYSA-N -1 1 250.248 2.798 20 0 CFADMM CON(C)C(=O)c1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241123296 780651936 /nfs/dbraw/zinc/65/19/36/780651936.db2.gz ZVSIKENQTIGWGI-UHFFFAOYSA-N -1 1 293.269 2.971 20 0 CFADMM O=C1COc2cc(-c3c(F)cc([O-])cc3F)ccc2N1 ZINC001241122750 780652078 /nfs/dbraw/zinc/65/20/78/780652078.db2.gz KZOMZDANTHCHGV-UHFFFAOYSA-N -1 1 277.226 2.668 20 0 CFADMM CC(C)(C)OC(=O)c1ccnc(-c2cc([O-])cc(F)c2)n1 ZINC001241256123 780737065 /nfs/dbraw/zinc/73/70/65/780737065.db2.gz NPHZPTNICAXWKI-UHFFFAOYSA-N -1 1 290.294 2.944 20 0 CFADMM [O-]c1cc(F)cc(-c2nccc(NCC3CC3)n2)c1 ZINC001241257621 780738903 /nfs/dbraw/zinc/73/89/03/780738903.db2.gz NHFTWZVXFJGNGX-UHFFFAOYSA-N -1 1 259.284 2.810 20 0 CFADMM COc1nc(C)nc(-c2c(F)ccc([O-])c2F)c1C ZINC001241290671 780759489 /nfs/dbraw/zinc/75/94/89/780759489.db2.gz DCTXMYOTKKSFGV-UHFFFAOYSA-N -1 1 266.247 2.753 20 0 CFADMM Cc1cc(N(C)C)nc(-c2c(F)ccc([O-])c2F)n1 ZINC001241289606 780760093 /nfs/dbraw/zinc/76/00/93/780760093.db2.gz BBCJMSRVQUVKHG-UHFFFAOYSA-N -1 1 265.263 2.502 20 0 CFADMM CC(=O)Nc1c(C)ccnc1-c1c(F)ccc([O-])c1F ZINC001241289296 780760175 /nfs/dbraw/zinc/76/01/75/780760175.db2.gz OFMUSZSUIHIIIB-UHFFFAOYSA-N -1 1 278.258 2.999 20 0 CFADMM CC(C)Oc1ccnc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291481 780761370 /nfs/dbraw/zinc/76/13/70/780761370.db2.gz MNPUGUKSBZEBFJ-UHFFFAOYSA-N -1 1 266.247 2.915 20 0 CFADMM Cc1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c(F)c1 ZINC001241355569 780805484 /nfs/dbraw/zinc/80/54/84/780805484.db2.gz AHJSRIFIIHWUAM-UHFFFAOYSA-N -1 1 269.275 2.614 20 0 CFADMM O=C([O-])[C@@H]1CCN(Cc2csc(C(F)(F)F)c2)C1 ZINC000703283681 781002181 /nfs/dbraw/zinc/00/21/81/781002181.db2.gz JWCZZAGDMVFEAK-MRVPVSSYSA-N -1 1 279.283 2.673 20 0 CFADMM O=C1CCc2c1cccc2-c1noc(-c2ccc([O-])cn2)n1 ZINC001212557994 781056202 /nfs/dbraw/zinc/05/62/02/781056202.db2.gz MFBMWACMPGMUIC-UHFFFAOYSA-N -1 1 293.282 2.633 20 0 CFADMM Cc1cc2c(c(-c3ccc4scnc4c3)n1)C(=O)[N-]C2=O ZINC001241867753 781159117 /nfs/dbraw/zinc/15/91/17/781159117.db2.gz LPOYKVIBMKTBJE-UHFFFAOYSA-N -1 1 295.323 2.550 20 0 CFADMM COC(=O)c1nc2ccc(-c3cnn(C4CC4)c3)cc2[n-]1 ZINC001241907615 781174131 /nfs/dbraw/zinc/17/41/31/781174131.db2.gz YMZSKVFLRNIBKF-UHFFFAOYSA-N -1 1 282.303 2.548 20 0 CFADMM COC(=O)c1nc2cc(-c3cnn(C4CC4)c3)ccc2[n-]1 ZINC001241907615 781174133 /nfs/dbraw/zinc/17/41/33/781174133.db2.gz YMZSKVFLRNIBKF-UHFFFAOYSA-N -1 1 282.303 2.548 20 0 CFADMM C=Cc1ccccc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001242014651 781231665 /nfs/dbraw/zinc/23/16/65/781231665.db2.gz RAJPOSAKYRCVLC-UHFFFAOYSA-N -1 1 260.229 2.800 20 0 CFADMM C=Cc1ccccc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001242014651 781231672 /nfs/dbraw/zinc/23/16/72/781231672.db2.gz RAJPOSAKYRCVLC-UHFFFAOYSA-N -1 1 260.229 2.800 20 0 CFADMM CO[C@@H](C)c1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001242033233 781243879 /nfs/dbraw/zinc/24/38/79/781243879.db2.gz VVKBROJZCBOFIW-JTQLQIEISA-N -1 1 281.319 2.636 20 0 CFADMM CO[C@@H](C)c1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001242033233 781243884 /nfs/dbraw/zinc/24/38/84/781243884.db2.gz VVKBROJZCBOFIW-JTQLQIEISA-N -1 1 281.319 2.636 20 0 CFADMM [O-]c1ccc(C(F)(F)F)cc1-c1nc(F)nc2[nH]cnc21 ZINC001242126124 781293790 /nfs/dbraw/zinc/29/37/90/781293790.db2.gz GBIYXHGQRYCEMS-UHFFFAOYSA-N -1 1 298.199 2.835 20 0 CFADMM Cn1cnc2cnc(-c3ccc([O-])c(C(F)(F)F)c3)nc21 ZINC001242151570 781303203 /nfs/dbraw/zinc/30/32/03/781303203.db2.gz PTIUIJLBRYLXHT-UHFFFAOYSA-N -1 1 294.236 2.755 20 0 CFADMM COC(=O)c1nc2cc(-c3ccc(OC)c(O)c3)ccc2[n-]1 ZINC001242174491 781313395 /nfs/dbraw/zinc/31/33/95/781313395.db2.gz OHHJEEHEOOMCCH-UHFFFAOYSA-N -1 1 298.298 2.731 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc(OC)c(O)c3)cc2[n-]1 ZINC001242174491 781313401 /nfs/dbraw/zinc/31/34/01/781313401.db2.gz OHHJEEHEOOMCCH-UHFFFAOYSA-N -1 1 298.298 2.731 20 0 CFADMM O=c1c(-c2ccc(F)cc2[O-])cccn1C1CCOCC1 ZINC001242222056 781336265 /nfs/dbraw/zinc/33/62/65/781336265.db2.gz TURJLCPZQGROAD-UHFFFAOYSA-N -1 1 289.306 2.712 20 0 CFADMM Cc1cccc(-c2nc3nc[nH]c3c(N3CCCC3)n2)c1[O-] ZINC001242344818 781417345 /nfs/dbraw/zinc/41/73/45/781417345.db2.gz FJPGNZZRZVLEEB-UHFFFAOYSA-N -1 1 295.346 2.634 20 0 CFADMM CCOC(=O)c1ccc(-c2cccc(F)c2[O-])cn1 ZINC001242351879 781425619 /nfs/dbraw/zinc/42/56/19/781425619.db2.gz ZJWLEDLFMDABIP-UHFFFAOYSA-N -1 1 261.252 2.770 20 0 CFADMM [O-]c1c(F)cccc1-c1cnc(OCc2cccnc2)nc1 ZINC001242353259 781426691 /nfs/dbraw/zinc/42/66/91/781426691.db2.gz XROCDFYGQUESIK-UHFFFAOYSA-N -1 1 297.289 2.962 20 0 CFADMM O=c1c(-c2cccc(F)c2[O-])cccn1Cc1ccccn1 ZINC001242352706 781427248 /nfs/dbraw/zinc/42/72/48/781427248.db2.gz NZQHMZXQTWFIBR-UHFFFAOYSA-N -1 1 296.301 2.803 20 0 CFADMM COC(=O)c1cnc2cc(-c3cccc(F)c3[O-])cnc2c1 ZINC001242353889 781427810 /nfs/dbraw/zinc/42/78/10/781427810.db2.gz SCSGSOAOQWSEMW-UHFFFAOYSA-N -1 1 298.273 2.928 20 0 CFADMM O=C1Cc2cc(-c3cccc4cc[nH]c43)ccc2C(=O)[N-]1 ZINC001242362375 781435932 /nfs/dbraw/zinc/43/59/32/781435932.db2.gz IMFFQWKSOJPNRP-UHFFFAOYSA-N -1 1 276.295 2.647 20 0 CFADMM CC(C)n1cc(-c2cccc(Cl)c2[O-])cnc1=O ZINC001242365765 781439256 /nfs/dbraw/zinc/43/92/56/781439256.db2.gz JPQZQLITBVEHHC-UHFFFAOYSA-N -1 1 264.712 2.850 20 0 CFADMM COC(=O)c1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242799009 781764307 /nfs/dbraw/zinc/76/43/07/781764307.db2.gz QDZXEQGOPJMMGR-UHFFFAOYSA-N -1 1 263.680 2.894 20 0 CFADMM O=c1ccnc2ccc(-c3cccc([O-])c3Cl)cn12 ZINC001242800404 781765197 /nfs/dbraw/zinc/76/51/97/781765197.db2.gz IAWSNPXXNTYMPA-UHFFFAOYSA-N -1 1 272.691 2.721 20 0 CFADMM COc1nccc(-c2cccc([O-])c2Cl)c1N ZINC001242799671 781765446 /nfs/dbraw/zinc/76/54/46/781765446.db2.gz XINOWXANAZLJLS-UHFFFAOYSA-N -1 1 250.685 2.698 20 0 CFADMM CCOc1nc(-c2cccc([O-])c2Cl)ncc1OC ZINC001242800978 781765712 /nfs/dbraw/zinc/76/57/12/781765712.db2.gz NZMJGCFVQDDUBU-UHFFFAOYSA-N -1 1 280.711 2.910 20 0 CFADMM Cn1nnc2ccc(-c3cccc([O-])c3Cl)cc21 ZINC001242800477 781766336 /nfs/dbraw/zinc/76/63/36/781766336.db2.gz ITICWERUPXLOLB-UHFFFAOYSA-N -1 1 259.696 2.994 20 0 CFADMM COCCOc1cnc(-c2cccc([O-])c2Cl)cn1 ZINC001242801928 781766863 /nfs/dbraw/zinc/76/68/63/781766863.db2.gz HEMRVCTXWXRAIE-UHFFFAOYSA-N -1 1 280.711 2.528 20 0 CFADMM CC(C)n1nccc(-c2cccc([O-])c2Cl)c1=O ZINC001242802061 781767178 /nfs/dbraw/zinc/76/71/78/781767178.db2.gz OWLYNTNVGZHNFJ-UHFFFAOYSA-N -1 1 264.712 2.850 20 0 CFADMM O=c1ccc(-c2cccc([O-])c2Cl)nn1C1CCC1 ZINC001242802126 781767900 /nfs/dbraw/zinc/76/79/00/781767900.db2.gz RSZLHHSQYPUROC-UHFFFAOYSA-N -1 1 276.723 2.994 20 0 CFADMM Cc1cc(-c2cccc([O-])c2Cl)ccc1S(N)(=O)=O ZINC001242803259 781768495 /nfs/dbraw/zinc/76/84/95/781768495.db2.gz XNXQXSOVQWZFJZ-UHFFFAOYSA-N -1 1 297.763 2.668 20 0 CFADMM CCc1cccc(C)c1-c1ccc(-c2nnn[n-]2)nc1 ZINC001242815240 781776352 /nfs/dbraw/zinc/77/63/52/781776352.db2.gz FBGGGRVZSOWRAO-UHFFFAOYSA-N -1 1 265.320 2.800 20 0 CFADMM CCc1cccc(C)c1-c1ccc(-c2nn[n-]n2)nc1 ZINC001242815240 781776356 /nfs/dbraw/zinc/77/63/56/781776356.db2.gz FBGGGRVZSOWRAO-UHFFFAOYSA-N -1 1 265.320 2.800 20 0 CFADMM CC(C)CC1(CNC(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC000821011701 781875101 /nfs/dbraw/zinc/87/51/01/781875101.db2.gz XVAKLKVJAVPACP-UHFFFAOYSA-N -1 1 289.379 2.616 20 0 CFADMM C[C@H]1CC[C@H](CCC(=O)Nc2cc([O-])c(F)cc2F)O1 ZINC000822394305 781898757 /nfs/dbraw/zinc/89/87/57/781898757.db2.gz YSEBTPHAGBOHHL-DTWKUNHWSA-N -1 1 285.290 2.957 20 0 CFADMM Cc1noc(C)c1[N-]C(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000068915018 346876371 /nfs/dbraw/zinc/87/63/71/346876371.db2.gz ZEBWYULWDTWXEX-UHFFFAOYSA-N -1 1 288.303 2.964 20 0 CFADMM Cc1ccc2nc(-c3ccc4c(c3)OCO4)[n-]c(=O)c2c1 ZINC000069579235 346896432 /nfs/dbraw/zinc/89/64/32/346896432.db2.gz RCCVHLZBRFBSEH-UHFFFAOYSA-N -1 1 280.283 2.627 20 0 CFADMM CO[C@H]1CCCC[C@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000294978839 199281911 /nfs/dbraw/zinc/28/19/11/199281911.db2.gz SDJIQHIRQQFCAK-SCZZXKLOSA-N -1 1 284.743 2.584 20 0 CFADMM CCn1cc(CN(C)C(=O)c2ccc(Cl)cc2[O-])cn1 ZINC000073134593 346962722 /nfs/dbraw/zinc/96/27/22/346962722.db2.gz OPMRHAMPSPSRGM-UHFFFAOYSA-N -1 1 293.754 2.534 20 0 CFADMM O=c1cc(C(F)(F)F)nc(SCC2CCOCC2)[n-]1 ZINC000126971132 187274141 /nfs/dbraw/zinc/27/41/41/187274141.db2.gz WXJKSDSHLRJHHD-UHFFFAOYSA-N -1 1 294.298 2.720 20 0 CFADMM O=C(Cc1c(F)cccc1F)Nc1c([O-])cccc1F ZINC000088378482 539378297 /nfs/dbraw/zinc/37/82/97/539378297.db2.gz SESTWIODIFBMNT-UHFFFAOYSA-N -1 1 281.233 2.991 20 0 CFADMM CC(C)Cc1csc2[n-]c(-c3ccon3)nc(=O)c12 ZINC000074797457 347035797 /nfs/dbraw/zinc/03/57/97/347035797.db2.gz HSDJEDOTEWRQEB-UHFFFAOYSA-N -1 1 275.333 2.838 20 0 CFADMM O=C(CCOc1ccccc1)Nc1c([O-])cccc1F ZINC000089541529 539469345 /nfs/dbraw/zinc/46/93/45/539469345.db2.gz LVYOAGSDMIOHTB-UHFFFAOYSA-N -1 1 275.279 2.939 20 0 CFADMM O=C(Nc1ccc2c[nH]nc2c1)c1cc(F)ccc1[O-] ZINC000179368656 232396921 /nfs/dbraw/zinc/39/69/21/232396921.db2.gz JTCGTQFRXFSPCD-UHFFFAOYSA-N -1 1 271.251 2.660 20 0 CFADMM COc1ccc(C(=O)Nc2ccc(C)c(O)c2C)c([O-])c1 ZINC000179824344 232399108 /nfs/dbraw/zinc/39/91/08/232399108.db2.gz YEDLOLZGDOIQQO-UHFFFAOYSA-N -1 1 287.315 2.976 20 0 CFADMM CC(C)CN(CCC(=O)[O-])Cc1cc(C(C)(C)C)on1 ZINC000563282145 290128495 /nfs/dbraw/zinc/12/84/95/290128495.db2.gz FWJCXZITFIPXKP-UHFFFAOYSA-N -1 1 282.384 2.905 20 0 CFADMM CC(C)n1ccc(CN2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC000069989207 539546053 /nfs/dbraw/zinc/54/60/53/539546053.db2.gz PETBUOICCHFLDG-CYBMUJFWSA-N -1 1 279.384 2.541 20 0 CFADMM O=C(c1ccco1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315316 346586632 /nfs/dbraw/zinc/58/66/32/346586632.db2.gz WKRFWNNVJLONSR-UHFFFAOYSA-N -1 1 299.326 2.720 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2nc(C)c(C)o2)n1 ZINC000060533374 346667620 /nfs/dbraw/zinc/66/76/20/346667620.db2.gz RLUQLRYQXMSDEA-UHFFFAOYSA-N -1 1 279.365 2.620 20 0 CFADMM C[C@@]1(C(=O)[O-])CCN(Cc2cc(-c3cccs3)on2)C1 ZINC000062936437 346694486 /nfs/dbraw/zinc/69/44/86/346694486.db2.gz PDCCKVBAFOYALW-CQSZACIVSA-N -1 1 292.360 2.700 20 0 CFADMM CCCCCc1nnc([N-]C(=O)c2ccon2)s1 ZINC000067289260 346797963 /nfs/dbraw/zinc/79/79/63/346797963.db2.gz ICWVWJXKZUHWNK-UHFFFAOYSA-N -1 1 266.326 2.511 20 0 CFADMM O=C([O-])C[C@@H]1CCCCN1Cc1ccn(C2CCCC2)n1 ZINC000069996958 539557527 /nfs/dbraw/zinc/55/75/27/539557527.db2.gz DDEWJPSLHRQTTH-HNNXBMFYSA-N -1 1 291.395 2.827 20 0 CFADMM CC(C)N(CCC(=O)[O-])Cc1ccn(C2CCCC2)n1 ZINC000069996925 539557868 /nfs/dbraw/zinc/55/78/68/539557868.db2.gz OZRVUEIDMHNWBC-UHFFFAOYSA-N -1 1 279.384 2.683 20 0 CFADMM CCCc1cc([N-]S(=O)(=O)c2cc(C)c(C)s2)[nH]n1 ZINC000091051849 347569375 /nfs/dbraw/zinc/56/93/75/347569375.db2.gz KCMLUWHEKLZCIK-UHFFFAOYSA-N -1 1 299.421 2.841 20 0 CFADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1c(F)cccc1Cl ZINC000092924042 347651226 /nfs/dbraw/zinc/65/12/26/347651226.db2.gz VMXZYSAEOFQOJK-DTWKUNHWSA-N -1 1 271.719 2.774 20 0 CFADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1cc(-c2cccs2)on1 ZINC000092925582 347651837 /nfs/dbraw/zinc/65/18/37/347651837.db2.gz KLBJSDLLIVWJPG-MWLCHTKSSA-N -1 1 292.360 2.698 20 0 CFADMM CCC(CC)(CCSc1ncc(C)c(=O)[n-]1)C(=O)OC ZINC000563822244 290177192 /nfs/dbraw/zinc/17/71/92/290177192.db2.gz OGTODLHXFXGPKT-UHFFFAOYSA-N -1 1 298.408 2.952 20 0 CFADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1nc(C(C)(C)C)cs1 ZINC000094969641 347697367 /nfs/dbraw/zinc/69/73/67/347697367.db2.gz OIVSEWSCQBVTJB-NXEZZACHSA-N -1 1 282.409 2.736 20 0 CFADMM O=S(=O)([N-]c1ncccc1Cl)c1ccc(F)cc1 ZINC000128629498 347852616 /nfs/dbraw/zinc/85/26/16/347852616.db2.gz RFJJCZVQVDPVOW-UHFFFAOYSA-N -1 1 286.715 2.675 20 0 CFADMM C[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])[C@@H]1C ZINC000128652450 187382103 /nfs/dbraw/zinc/38/21/03/187382103.db2.gz NXAXTKPWOAPNMF-NXEZZACHSA-N -1 1 251.301 2.792 20 0 CFADMM CC[C@@H]1CN(Cc2cc(C)c(C(=O)[O-])o2)CCS1 ZINC000157712228 348001759 /nfs/dbraw/zinc/00/17/59/348001759.db2.gz AWDMOBFFBCTIHY-LLVKDONJSA-N -1 1 269.366 2.614 20 0 CFADMM CCCc1cc(=O)[n-]c(SCCCc2cn[nH]c2)n1 ZINC000172587166 348099064 /nfs/dbraw/zinc/09/90/64/348099064.db2.gz KMKLCCJDBRWGMU-UHFFFAOYSA-N -1 1 278.381 2.583 20 0 CFADMM O=C(c1ccoc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000198883728 348151896 /nfs/dbraw/zinc/15/18/96/348151896.db2.gz UJXQNJRZQIOJQC-UHFFFAOYSA-N -1 1 299.326 2.720 20 0 CFADMM Cc1ncc(C[N@@H+](C)CCc2ccccc2C(=O)[O-])s1 ZINC000228513168 348195396 /nfs/dbraw/zinc/19/53/96/348195396.db2.gz WHMGLWXKTGHRTR-UHFFFAOYSA-N -1 1 290.388 2.824 20 0 CFADMM Cc1ncc(CN(C)C2(C(=O)[O-])CCCCC2)s1 ZINC000311062771 348411821 /nfs/dbraw/zinc/41/18/21/348411821.db2.gz KGBGZJDUAWKENU-UHFFFAOYSA-N -1 1 268.382 2.671 20 0 CFADMM COC(=O)c1ccc([C@H](C)Sc2ncc(C)c(=O)[n-]2)o1 ZINC000312429963 348417938 /nfs/dbraw/zinc/41/79/38/348417938.db2.gz RIODOSXIBREVIC-QMMMGPOBSA-N -1 1 294.332 2.724 20 0 CFADMM CC1(C)C[C@@H](NC(=O)c2cc3ccccc3cc2[O-])CO1 ZINC000396517026 348558518 /nfs/dbraw/zinc/55/85/18/348558518.db2.gz STIMSBMJWPGJBK-CYBMUJFWSA-N -1 1 285.343 2.843 20 0 CFADMM CO[C@@H](C)c1nc(=NC2CCC(C(F)F)CC2)s[n-]1 ZINC000413454912 233076389 /nfs/dbraw/zinc/07/63/89/233076389.db2.gz WFIUROQJHQIPTA-UEJVZZJDSA-N -1 1 291.367 2.903 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CSCc1cccc(C)c1 ZINC000590397900 348898974 /nfs/dbraw/zinc/89/89/74/348898974.db2.gz IQRAPKYFISMNKS-UHFFFAOYSA-N -1 1 291.376 2.604 20 0 CFADMM COC(=O)c1ccsc1NC(=O)c1ccc([O-])cc1F ZINC000590551394 348908509 /nfs/dbraw/zinc/90/85/09/348908509.db2.gz YRXUQQZXWMQXDC-UHFFFAOYSA-N -1 1 295.291 2.632 20 0 CFADMM O=C([O-])c1sccc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000226977097 539703850 /nfs/dbraw/zinc/70/38/50/539703850.db2.gz OPQYMMUCYAOOIM-VXGBXAGGSA-N -1 1 281.377 2.590 20 0 CFADMM Cc1cnc(C(=O)N2Cc3ccccc3OC[C@H]2C)c([O-])c1 ZINC000427907663 539709467 /nfs/dbraw/zinc/70/94/67/539709467.db2.gz VPADIBDKZFMWOY-GFCCVEGCSA-N -1 1 298.342 2.519 20 0 CFADMM CCN(CCSC)Cc1nc(=O)c2sccc2[n-]1 ZINC000592199031 349097762 /nfs/dbraw/zinc/09/77/62/349097762.db2.gz AXZWBWAWNXBIOF-UHFFFAOYSA-N -1 1 283.422 2.582 20 0 CFADMM CCSC1(CNC(=O)c2c([O-])cccc2F)CC1 ZINC000598330874 350236816 /nfs/dbraw/zinc/23/68/16/350236816.db2.gz VXKPKOZCZJJKLL-UHFFFAOYSA-N -1 1 269.341 2.547 20 0 CFADMM Cc1ccc(O)c(CN[C@H](C)c2cccc(O)c2)n1 ZINC000105461203 186057566 /nfs/dbraw/zinc/05/75/66/186057566.db2.gz LNONRCMBUMWFLT-LLVKDONJSA-N -1 1 258.321 2.652 20 0 CFADMM Cc1noc(C)c1CCNC(=O)c1ccc(Cl)cc1[O-] ZINC000107175104 186161677 /nfs/dbraw/zinc/16/16/77/186161677.db2.gz UCXXJMJXTHLHIV-UHFFFAOYSA-N -1 1 294.738 2.623 20 0 CFADMM CSC1(C(=O)Nc2cccc(F)c2[O-])CCC1 ZINC000600445921 350556285 /nfs/dbraw/zinc/55/62/85/350556285.db2.gz NSNVSPUYJBRYQD-UHFFFAOYSA-N -1 1 255.314 2.756 20 0 CFADMM CSCC(C)(C)C(=O)Nc1cccc(F)c1[O-] ZINC000600446854 350556508 /nfs/dbraw/zinc/55/65/08/350556508.db2.gz UJVWAVNVYDGQJT-UHFFFAOYSA-N -1 1 257.330 2.859 20 0 CFADMM O=C(NCc1cccc2ccccc21)c1cncc([O-])c1 ZINC000109041309 186240748 /nfs/dbraw/zinc/24/07/48/186240748.db2.gz IFIPQILEKVVAPI-UHFFFAOYSA-N -1 1 278.311 2.870 20 0 CFADMM CC(C)CCC[C@@H](C)NC(=O)c1cncc([O-])c1 ZINC000109040841 186241210 /nfs/dbraw/zinc/24/12/10/186241210.db2.gz MZOFEDFRLARUGP-LLVKDONJSA-N -1 1 250.342 2.732 20 0 CFADMM Cc1cc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)no1 ZINC000109714283 186270018 /nfs/dbraw/zinc/27/00/18/186270018.db2.gz ZEOTVEFCYYZRMF-UHFFFAOYSA-N -1 1 291.254 2.790 20 0 CFADMM Cc1cc(C(=O)Nc2ccncc2[O-])nn1-c1ccccc1 ZINC000109889359 186278410 /nfs/dbraw/zinc/27/84/10/186278410.db2.gz 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OLJJOSDUJSAAQW-UHFFFAOYSA-N -1 1 286.331 2.965 20 0 CFADMM CS[C@H]1CCN(C(=O)N=c2[n-]sc3ccccc32)C1 ZINC000603050142 351094973 /nfs/dbraw/zinc/09/49/73/351094973.db2.gz FKGGECYGYLGYHX-VIFPVBQESA-N -1 1 293.417 2.687 20 0 CFADMM CC[C@@H](CSC)NC(=O)N=c1[n-]sc2ccccc21 ZINC000603052737 351095884 /nfs/dbraw/zinc/09/58/84/351095884.db2.gz UHBYSDOTKSNBIL-VIFPVBQESA-N -1 1 295.433 2.981 20 0 CFADMM Cc1nc(-c2ccc(NC[C@H](C)C3CC3)nc2)[n-]c(=O)c1C ZINC000608080861 351396666 /nfs/dbraw/zinc/39/66/66/351396666.db2.gz HBCPIYUQELPKCQ-JTQLQIEISA-N -1 1 298.390 2.741 20 0 CFADMM CSc1cc(C(=O)Nc2c([O-])cccc2F)ccn1 ZINC000608366385 351425950 /nfs/dbraw/zinc/42/59/50/351425950.db2.gz JBGRHHRQAZGQAT-UHFFFAOYSA-N -1 1 278.308 2.901 20 0 CFADMM O=C(Nc1c([O-])cccc1F)[C@@H]1Cc2ccccc21 ZINC000608365552 351426004 /nfs/dbraw/zinc/42/60/04/351426004.db2.gz MXSWXTBNKXBODH-LLVKDONJSA-N -1 1 257.264 2.810 20 0 CFADMM O=c1cc(C2CC2)nc(SC[C@H]2CCC[C@@H](O)C2)[n-]1 ZINC000291582169 198042660 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281.302 2.794 20 0 CFADMM O=C([O-])C1(CN(Cc2c(F)cccc2F)C2CC2)CC1 ZINC000571571117 383706262 /nfs/dbraw/zinc/70/62/62/383706262.db2.gz PDZGLHLBPFIZBF-UHFFFAOYSA-N -1 1 281.302 2.794 20 0 CFADMM CC(C)c1ccc(C(=O)N2CCOc3ccncc32)c([O-])c1 ZINC000678315873 542005710 /nfs/dbraw/zinc/00/57/10/542005710.db2.gz NRYLCIDCEFLEJR-UHFFFAOYSA-N -1 1 298.342 2.950 20 0 CFADMM O=C([N-]c1nc(-c2ccsc2)ns1)c1cscn1 ZINC000109109530 375819915 /nfs/dbraw/zinc/81/99/15/375819915.db2.gz CMQRBFMIKFOYDT-UHFFFAOYSA-N -1 1 294.386 2.975 20 0 CFADMM COc1c(C)ccc(NC(=O)c2cncc([O-])c2)c1C ZINC000111776474 375870432 /nfs/dbraw/zinc/87/04/32/375870432.db2.gz OSFGKMRNTWTWCS-UHFFFAOYSA-N -1 1 272.304 2.665 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2ccncc2C)c(C)s1 ZINC000112496777 375925181 /nfs/dbraw/zinc/92/51/81/375925181.db2.gz NUUALTAFVFQFSE-UHFFFAOYSA-N -1 1 282.390 2.869 20 0 CFADMM O=C([O-])CCCN1CCc2cc(Br)ccc2C1 ZINC000262457361 190055832 /nfs/dbraw/zinc/05/58/32/190055832.db2.gz RSRBLFUBBUXBPO-UHFFFAOYSA-N -1 1 298.180 2.672 20 0 CFADMM CCc1cc(=O)[n-]c(C[N@H+]2CC[C@H](c3ccccc3)C2)n1 ZINC000119303510 376388849 /nfs/dbraw/zinc/38/88/49/376388849.db2.gz IYVRSYROGKGJCY-AWEZNQCLSA-N -1 1 283.375 2.734 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2c(O)cccc2F)c(C)o1 ZINC000678940159 542096891 /nfs/dbraw/zinc/09/68/91/542096891.db2.gz AYWJXDJBOSBGOA-UHFFFAOYSA-N -1 1 285.296 2.542 20 0 CFADMM C[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C[C@H]1F ZINC000679247880 542145873 /nfs/dbraw/zinc/14/58/73/542145873.db2.gz HWARZMMASZKVTN-GZMMTYOYSA-N -1 1 271.719 2.866 20 0 CFADMM CC1(C(=O)Nc2nc(Br)ccc2[O-])CCC1 ZINC000121479568 376841672 /nfs/dbraw/zinc/84/16/72/376841672.db2.gz LJDACSQPSFDNBL-UHFFFAOYSA-N -1 1 285.141 2.678 20 0 CFADMM CN(Cc1nc2ccccc2o1)Cc1ncccc1[O-] ZINC000571688403 383717234 /nfs/dbraw/zinc/71/72/34/383717234.db2.gz UGCZLRPKBBQISM-UHFFFAOYSA-N -1 1 269.304 2.560 20 0 CFADMM O=C(N[C@H](Cc1ccccc1)C1CC1)c1cncc([O-])c1 ZINC000129222812 377400828 /nfs/dbraw/zinc/40/08/28/377400828.db2.gz DWZJHBVXDFWKDA-MRXNPFEDSA-N -1 1 282.343 2.538 20 0 CFADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C1CC1 ZINC000131015254 377645752 /nfs/dbraw/zinc/64/57/52/377645752.db2.gz HHKPLPAJIVEETR-SSDOTTSWSA-N -1 1 277.748 2.556 20 0 CFADMM O=C(CCc1ccc(O)cc1)Nc1c([O-])cccc1F ZINC000679652852 542221299 /nfs/dbraw/zinc/22/12/99/542221299.db2.gz PVUXMQSOIHTMLP-UHFFFAOYSA-N -1 1 275.279 2.808 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1[C@@H]1CCCC1=O ZINC000132851431 377882724 /nfs/dbraw/zinc/88/27/24/377882724.db2.gz HZUMIYPHDYXCFK-AAEUAGOBSA-N -1 1 291.322 2.505 20 0 CFADMM CCOCCC1(CNC(=O)c2ncccc2[O-])CCCC1 ZINC000134302356 378001033 /nfs/dbraw/zinc/00/10/33/378001033.db2.gz NORJFDSFQSVFKM-UHFFFAOYSA-N -1 1 292.379 2.504 20 0 CFADMM C[C@@H]1OCCN(C(=O)c2cc3ccccc3cc2[O-])[C@H]1C ZINC000151065958 378290252 /nfs/dbraw/zinc/29/02/52/378290252.db2.gz FTHFTWCEBLMBLM-RYUDHWBXSA-N -1 1 285.343 2.795 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1C[C@@H]2CCC[C@@H]2C1 ZINC000148891134 378261185 /nfs/dbraw/zinc/26/11/85/378261185.db2.gz PJIZSSUHZZVEEJ-AOOOYVTPSA-N -1 1 265.740 2.918 20 0 CFADMM COc1cc(C(=O)NC2(C)CCC2)cc(Cl)c1[O-] ZINC000154024701 378532211 /nfs/dbraw/zinc/53/22/11/378532211.db2.gz ZSLDYCRXRVUEID-UHFFFAOYSA-N -1 1 269.728 2.727 20 0 CFADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C(=O)c1ccc([O-])cc1 ZINC000332239828 378740143 /nfs/dbraw/zinc/74/01/43/378740143.db2.gz IOKVTLUCPJMFNY-OSAQELSMSA-N -1 1 287.359 2.755 20 0 CFADMM O=C1C[C@H]2C[C@@H]1[C@@H](c1nc(-c3ccc([O-])cc3F)no1)C2 ZINC000333872574 378871265 /nfs/dbraw/zinc/87/12/65/378871265.db2.gz SEYWUBOPOAQMDE-XROYCOCOSA-N -1 1 288.278 2.664 20 0 CFADMM O=C(Nc1nc(C2CCC2)cs1)c1cncc([O-])c1 ZINC000278530428 194028536 /nfs/dbraw/zinc/02/85/36/194028536.db2.gz UCKGHEUHBBFRHV-UHFFFAOYSA-N -1 1 275.333 2.764 20 0 CFADMM NC(=O)c1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000334205311 378921867 /nfs/dbraw/zinc/92/18/67/378921867.db2.gz UILXUABLOSMKEK-UHFFFAOYSA-N -1 1 274.251 2.667 20 0 CFADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1F ZINC000334318551 379083590 /nfs/dbraw/zinc/08/35/90/379083590.db2.gz SIDPQBVMPKHBIZ-UHFFFAOYSA-N -1 1 293.319 2.829 20 0 CFADMM O=c1cc(C(F)F)nc(SCCOC2CCC2)[n-]1 ZINC000289463136 197360173 /nfs/dbraw/zinc/36/01/73/197360173.db2.gz GLQJPLMVFGFTJU-UHFFFAOYSA-N -1 1 276.308 2.781 20 0 CFADMM O=C(Nc1ccc(CO)c(Cl)c1)c1ccc([O-])cc1F ZINC000334341088 379121995 /nfs/dbraw/zinc/12/19/95/379121995.db2.gz INAQSEJNVGTZEN-UHFFFAOYSA-N -1 1 295.697 2.929 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CC(c2ccccc2F)C1 ZINC000334340108 379122045 /nfs/dbraw/zinc/12/20/45/379122045.db2.gz MVDQCMIQDMHHMW-UHFFFAOYSA-N -1 1 289.281 2.910 20 0 CFADMM C[C@H]1[C@@H](CO)CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000335378006 379188069 /nfs/dbraw/zinc/18/80/69/379188069.db2.gz NOUCRDGYCWDKPD-GXTWGEPZSA-N -1 1 299.370 2.778 20 0 CFADMM Cc1cccc(CNC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000048481833 412907361 /nfs/dbraw/zinc/90/73/61/412907361.db2.gz GKYNCAUSXOPTOU-UHFFFAOYSA-N -1 1 276.723 2.679 20 0 CFADMM O=C(c1ccc(Br)cc1[O-])N1CCC12CCC2 ZINC000335384293 379198517 /nfs/dbraw/zinc/19/85/17/379198517.db2.gz OZPYVHNEJRMZGP-UHFFFAOYSA-N -1 1 296.164 2.923 20 0 CFADMM O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ncccc1[O-] ZINC000171242331 379261186 /nfs/dbraw/zinc/26/11/86/379261186.db2.gz VYMYGYBAPBEGQD-IUCAKERBSA-N -1 1 288.269 2.638 20 0 CFADMM O=S(=O)([N-][C@H]1CCC[C@@H](F)C1)c1sccc1Cl ZINC000335423225 379270810 /nfs/dbraw/zinc/27/08/10/379270810.db2.gz YMFOEJPADGZDHV-SFYZADRCSA-N -1 1 297.804 2.961 20 0 CFADMM CC(=O)c1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000334467871 379351073 /nfs/dbraw/zinc/35/10/73/379351073.db2.gz XBXMRZGWUXLWMI-UHFFFAOYSA-N -1 1 273.263 2.986 20 0 CFADMM C[C@@H](N=c1[n-]c(C(N)=O)cs1)[C@H](C)C1CCCCC1 ZINC000432309309 383736077 /nfs/dbraw/zinc/73/60/77/383736077.db2.gz AQZBESFBGZTJJP-VHSXEESVSA-N -1 1 281.425 2.681 20 0 CFADMM O=C(c1c(F)ccc([O-])c1F)N1CCc2sccc2C1 ZINC000334476620 379367092 /nfs/dbraw/zinc/36/70/92/379367092.db2.gz NUGHASZBHVEFQX-UHFFFAOYSA-N -1 1 295.310 2.930 20 0 CFADMM O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccc([O-])cc1F ZINC000335518549 379439305 /nfs/dbraw/zinc/43/93/05/379439305.db2.gz FEEYMBZYDXQCAN-RKDXNWHRSA-N -1 1 255.264 2.542 20 0 CFADMM O=C(N[C@H]1CCC[C@H](F)C1)c1c(F)ccc([O-])c1F ZINC000335523785 379448939 /nfs/dbraw/zinc/44/89/39/379448939.db2.gz XNNFPAOBNREHPZ-YUMQZZPRSA-N -1 1 273.254 2.681 20 0 CFADMM O=C(c1cncc([O-])c1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000171860080 379423299 /nfs/dbraw/zinc/42/32/99/379423299.db2.gz IHIOAQFLBLMNFL-UHFFFAOYSA-N -1 1 298.317 2.856 20 0 CFADMM C[C@@H]1C[C@H](CO)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000335530324 379460897 /nfs/dbraw/zinc/46/08/97/379460897.db2.gz OPIROZXBZXNGMF-OLZOCXBDSA-N -1 1 299.370 2.636 20 0 CFADMM O=S(=O)([N-][C@@H]1CC[C@@H](F)C1)c1sccc1Cl ZINC000334536319 379476719 /nfs/dbraw/zinc/47/67/19/379476719.db2.gz LMLZZOSCLFKPRL-RNFRBKRXSA-N -1 1 283.777 2.570 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2C)cc1 ZINC000334594782 379594690 /nfs/dbraw/zinc/59/46/90/379594690.db2.gz YLOUFWIXYKHXKO-UHFFFAOYSA-N -1 1 276.361 2.808 20 0 CFADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cccc(F)c1F ZINC000334603957 379608669 /nfs/dbraw/zinc/60/86/69/379608669.db2.gz TVRSDWVQDGVGLG-MWLCHTKSSA-N -1 1 269.291 2.650 20 0 CFADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(F)cc1F ZINC000334604642 379609754 /nfs/dbraw/zinc/60/97/54/379609754.db2.gz XEFVUXPWGFPZBM-GXSJLCMTSA-N -1 1 269.291 2.650 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]1c1ncc[nH]1 ZINC000335666169 379685223 /nfs/dbraw/zinc/68/52/23/379685223.db2.gz WCUCEPHXLVYQRS-LLVKDONJSA-N -1 1 291.738 2.746 20 0 CFADMM C[C@@H]1[C@@H](C)CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000172855530 379659160 /nfs/dbraw/zinc/65/91/60/379659160.db2.gz ACOQLCGZJMBDHL-VHSXEESVSA-N -1 1 277.393 2.605 20 0 CFADMM CN(C(=O)c1ccc([O-])cc1F)C1CC(C)(C)C1 ZINC000335656564 379672544 /nfs/dbraw/zinc/67/25/44/379672544.db2.gz NMPWWKDAEUVGSB-UHFFFAOYSA-N -1 1 251.301 2.792 20 0 CFADMM C[C@H]1[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1(F)F ZINC000335660441 379676197 /nfs/dbraw/zinc/67/61/97/379676197.db2.gz SCTYIOFWRNGERW-CDUCUWFYSA-N -1 1 261.655 2.885 20 0 CFADMM [O-]c1cccc(CN2CC3(C2)CCCOC3)c1Cl ZINC000334638307 379682359 /nfs/dbraw/zinc/68/23/59/379682359.db2.gz VTPWWTOPVCWOOQ-UHFFFAOYSA-N -1 1 267.756 2.658 20 0 CFADMM C[C@@H]1CCN(C(=O)c2cncc([O-])c2)[C@H](c2ccco2)C1 ZINC000173355845 379729295 /nfs/dbraw/zinc/72/92/95/379729295.db2.gz UHVFBACDXXDTAH-RISCZKNCSA-N -1 1 286.331 2.994 20 0 CFADMM CC1(C)CCC[C@](O)(CNC(=O)c2ccc([O-])cc2F)C1 ZINC000334693918 379779452 /nfs/dbraw/zinc/77/94/52/379779452.db2.gz WXOOGJJIYWWATB-MRXNPFEDSA-N -1 1 295.354 2.592 20 0 CFADMM O=C(Nc1cnn(C(F)F)c1)c1c(F)ccc([O-])c1F ZINC000335800386 379910038 /nfs/dbraw/zinc/91/00/38/379910038.db2.gz NORQBYOIDSPCIE-UHFFFAOYSA-N -1 1 289.188 2.514 20 0 CFADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[O-])c2nccn21 ZINC000335174606 379989239 /nfs/dbraw/zinc/98/92/39/379989239.db2.gz KNZJGCDSWAJUOG-LDYMZIIASA-N -1 1 291.738 2.678 20 0 CFADMM CC(=O)c1cc(NC(=O)c2ccccc2[O-])ccc1F ZINC000335849619 379990955 /nfs/dbraw/zinc/99/09/55/379990955.db2.gz SONFIXLWMWNGEP-UHFFFAOYSA-N -1 1 273.263 2.986 20 0 CFADMM C[C@@H]1CCC(=CC(=O)Nc2n[n-]c(C(F)(F)F)n2)C1 ZINC000267857451 190359311 /nfs/dbraw/zinc/35/93/11/190359311.db2.gz MYGQQCZUXDGDJA-LUFONEFESA-N -1 1 274.246 2.508 20 0 CFADMM CC[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)CCO1 ZINC000335215900 380021218 /nfs/dbraw/zinc/02/12/18/380021218.db2.gz JMGDWLLLTWUCCZ-DTWKUNHWSA-N -1 1 285.290 2.814 20 0 CFADMM Cc1ccc(NC(=O)c2ccccc2[O-])cc1C(=O)N(C)C ZINC000175379126 380054123 /nfs/dbraw/zinc/05/41/23/380054123.db2.gz SGMUYMDNIPHVHY-UHFFFAOYSA-N -1 1 298.342 2.655 20 0 CFADMM C[C@@]1(c2nc(-c3ccc([O-])cc3F)no2)C[C@@H]1F ZINC000335247841 380077460 /nfs/dbraw/zinc/07/74/60/380077460.db2.gz DZNGFAZSKXFNBE-JOYOIKCWSA-N -1 1 252.220 2.581 20 0 CFADMM C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])CCC1(F)F ZINC000335907495 380088943 /nfs/dbraw/zinc/08/89/43/380088943.db2.gz POVKTLZITVAQBN-QMMMGPOBSA-N -1 1 273.254 2.649 20 0 CFADMM CCc1nc(C(=O)Nc2ccc(F)cc2[O-])c(C)o1 ZINC000335909852 380091597 /nfs/dbraw/zinc/09/15/97/380091597.db2.gz OQEUGYMYJKNMRR-UHFFFAOYSA-N -1 1 264.256 2.642 20 0 CFADMM O=C(c1ncccc1[O-])N1CCCC12CCCCC2 ZINC000336102023 296305532 /nfs/dbraw/zinc/30/55/32/296305532.db2.gz YWNSCJVDXYBEML-UHFFFAOYSA-N -1 1 260.337 2.726 20 0 CFADMM CN1C(=O)c2ccccc2N[C@@H]1c1cc(F)c([O-])c(F)c1 ZINC000175926605 380156922 /nfs/dbraw/zinc/15/69/22/380156922.db2.gz YSLKONQXDXSEEH-AWEZNQCLSA-N -1 1 290.269 2.867 20 0 CFADMM CN1c2ccccc2C(=O)N[C@@H]1c1cc(F)c([O-])c(F)c1 ZINC000175926327 380157582 /nfs/dbraw/zinc/15/75/82/380157582.db2.gz HLRPPNQCHFPBIZ-AWEZNQCLSA-N -1 1 290.269 2.549 20 0 CFADMM C[C@@H]1CCCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000187098528 296306750 /nfs/dbraw/zinc/30/67/50/296306750.db2.gz FGYQAKOZDVIQCH-SNVBAGLBSA-N -1 1 251.301 2.794 20 0 CFADMM Cc1cccnc1[C@@H](NC(=O)c1cncc([O-])c1)C(C)C ZINC000176384120 380224333 /nfs/dbraw/zinc/22/43/33/380224333.db2.gz QDCFXTKHJPTZKG-AWEZNQCLSA-N -1 1 285.347 2.618 20 0 CFADMM Cc1nc(C)c(CN(C)[C@@H](CC(C)C)C(=O)[O-])s1 ZINC000572007211 383745913 /nfs/dbraw/zinc/74/59/13/383745913.db2.gz FRSZBKANQFNHRV-NSHDSACASA-N -1 1 270.398 2.691 20 0 CFADMM CCc1ccc(C(=O)N2CCc3ccncc32)c([O-])c1 ZINC000336513545 380392461 /nfs/dbraw/zinc/39/24/61/380392461.db2.gz XUNWBRGNKGPIRO-UHFFFAOYSA-N -1 1 268.316 2.553 20 0 CFADMM CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H]1CC1(C)C ZINC000336517889 380398575 /nfs/dbraw/zinc/39/85/75/380398575.db2.gz WNSXTNZPLXKPNU-SECBINFHSA-N -1 1 263.366 2.627 20 0 CFADMM COc1cc(C(=O)N[C@@H]2CCC2(C)C)cc(Cl)c1[O-] ZINC000336619222 380560027 /nfs/dbraw/zinc/56/00/27/380560027.db2.gz AYZJCBSINHHRIT-LLVKDONJSA-N -1 1 283.755 2.973 20 0 CFADMM COCc1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000181114371 380742364 /nfs/dbraw/zinc/74/23/64/380742364.db2.gz IDZYMSVMJXIXNM-UHFFFAOYSA-N -1 1 275.279 2.930 20 0 CFADMM CCOCc1nnc([N-]Cc2ncc(C(C)C)s2)o1 ZINC000181714063 380872397 /nfs/dbraw/zinc/87/23/97/380872397.db2.gz LWDQIKTVZYWBLR-UHFFFAOYSA-N -1 1 282.369 2.798 20 0 CFADMM CCS[C@@H]1CCC[C@@H](NC(=O)c2ncc(C)cc2[O-])C1 ZINC000358543743 380913529 /nfs/dbraw/zinc/91/35/29/380913529.db2.gz GJQIFQNRCYGDNW-VXGBXAGGSA-N -1 1 294.420 2.890 20 0 CFADMM Cc1cnc(C(=O)N[C@H](C)Cc2cccs2)c([O-])c1 ZINC000358593529 380955957 /nfs/dbraw/zinc/95/59/57/380955957.db2.gz ATBVEENBCJMIED-SNVBAGLBSA-N -1 1 276.361 2.518 20 0 CFADMM CC(F)(F)CCCNC(=O)c1c([O-])cccc1F ZINC000295625167 380980470 /nfs/dbraw/zinc/98/04/70/380980470.db2.gz RLTJZLCQOFEKJO-UHFFFAOYSA-N -1 1 261.243 2.697 20 0 CFADMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@H](C2CC2)O1 ZINC000279307133 194378157 /nfs/dbraw/zinc/37/81/57/194378157.db2.gz DVLCUYKSSPMXGM-LKFCYVNXSA-N -1 1 295.766 2.685 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)c(C)o1 ZINC000182767811 381154168 /nfs/dbraw/zinc/15/41/68/381154168.db2.gz DGJOIIPSRPNDHA-UHFFFAOYSA-N -1 1 287.287 2.975 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(C)o1 ZINC000182767688 381154282 /nfs/dbraw/zinc/15/42/82/381154282.db2.gz FVAMFTGQLYFEQE-UHFFFAOYSA-N -1 1 287.287 2.975 20 0 CFADMM CO[C@@H]1C[C@@H](N=c2[n-]c(C(F)(F)F)cs2)C1(C)C ZINC000347466533 381168290 /nfs/dbraw/zinc/16/82/90/381168290.db2.gz RURYNRPZKAPTOA-HTRCEHHLSA-N -1 1 280.315 2.809 20 0 CFADMM CCN(Cc1ccccc1)C(=O)c1cccc2nn[nH]c21 ZINC000183346833 381257636 /nfs/dbraw/zinc/25/76/36/381257636.db2.gz GPWSCQZBRQEXFF-UHFFFAOYSA-N -1 1 280.331 2.620 20 0 CFADMM COC(C)(C)C[C@H](C)N=c1nc(C(F)(F)F)[n-]s1 ZINC000342375227 381303260 /nfs/dbraw/zinc/30/32/60/381303260.db2.gz LRZZLRSUXRPFNV-LURJTMIESA-N -1 1 283.319 2.594 20 0 CFADMM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cncc([O-])c1 ZINC000296269884 381326130 /nfs/dbraw/zinc/32/61/30/381326130.db2.gz XRZZBDWSBFKZOT-PSASIEDQSA-N -1 1 288.269 2.590 20 0 CFADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000290170527 381327265 /nfs/dbraw/zinc/32/72/65/381327265.db2.gz RIXVLIPETWSJLR-RXMQYKEDSA-N -1 1 267.634 2.726 20 0 CFADMM Cc1nc(C(=O)[N-]c2nncs2)c(-c2ccccc2)o1 ZINC000183888882 381335651 /nfs/dbraw/zinc/33/56/51/381335651.db2.gz OIEBMFSKWWRGHG-UHFFFAOYSA-N -1 1 286.316 2.754 20 0 CFADMM CC[C@@](C)(OC)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000359254073 381311428 /nfs/dbraw/zinc/31/14/28/381311428.db2.gz SLYMQNJFYCYUAL-OAHLLOKOSA-N -1 1 289.335 2.536 20 0 CFADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)C1CC1 ZINC000347776211 381343598 /nfs/dbraw/zinc/34/35/98/381343598.db2.gz LAITXYKCOPYYNX-YFKPBYRVSA-N -1 1 292.282 2.661 20 0 CFADMM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)CCC(C)(C)C ZINC000290471869 381443528 /nfs/dbraw/zinc/44/35/28/381443528.db2.gz GSYSEAVNDUICPP-UHFFFAOYSA-N -1 1 295.355 2.834 20 0 CFADMM O=C([N-]c1n[nH]c(C2CCC2)n1)c1nc2ccccc2s1 ZINC000184597631 381444762 /nfs/dbraw/zinc/44/47/62/381444762.db2.gz ANGPNEZYTXRKBI-UHFFFAOYSA-N -1 1 299.359 2.934 20 0 CFADMM CCC[C@@]1(CO)CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000290482495 381447224 /nfs/dbraw/zinc/44/72/24/381447224.db2.gz DEYBSWAFUGQJID-OAHLLOKOSA-N -1 1 297.782 2.670 20 0 CFADMM COc1ccc(-c2nc(-c3ccnc(OC)c3)no2)c([O-])c1 ZINC000184871090 381491805 /nfs/dbraw/zinc/49/18/05/381491805.db2.gz LERVNZYRLHKKHJ-UHFFFAOYSA-N -1 1 299.286 2.521 20 0 CFADMM O=C(Cc1ccc2c[nH]nc2c1)Nc1ccc(F)cc1[O-] ZINC000354961836 381538902 /nfs/dbraw/zinc/53/89/02/381538902.db2.gz KUHPBGKLPXOYDP-UHFFFAOYSA-N -1 1 285.278 2.589 20 0 CFADMM CC(C)[C@H](CC(=O)[N-]OC(C)(C)CO)c1ccccc1 ZINC000296739323 381525486 /nfs/dbraw/zinc/52/54/86/381525486.db2.gz AQIKSYODIIWNDT-AWEZNQCLSA-N -1 1 279.380 2.635 20 0 CFADMM CCO[C@@H](CCN=c1nc(C(F)(F)F)[n-]s1)C(C)C ZINC000342845541 381583085 /nfs/dbraw/zinc/58/30/85/381583085.db2.gz GKYNSCZFTBARNM-QMMMGPOBSA-N -1 1 297.346 2.842 20 0 CFADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)CCC1(F)F ZINC000291024077 381636236 /nfs/dbraw/zinc/63/62/36/381636236.db2.gz VQFVCGNWJAAFMT-MRVPVSSYSA-N -1 1 273.254 2.649 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H](C2CC2)C1 ZINC000291016051 381633339 /nfs/dbraw/zinc/63/33/39/381633339.db2.gz XIWHUTZAVZVSMJ-NSHDSACASA-N -1 1 263.312 2.794 20 0 CFADMM O=C(NC[C@H](c1ccccc1)C1CC1)c1ncccc1[O-] ZINC000348646055 381654435 /nfs/dbraw/zinc/65/44/35/381654435.db2.gz 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/nfs/dbraw/zinc/29/13/23/382291323.db2.gz LJUZBFVXAVNCFR-GFCCVEGCSA-N -1 1 292.335 2.965 20 0 CFADMM O=C(Cc1ccc2c(c1)COC2)Nc1c([O-])cccc1F ZINC000680451809 542325702 /nfs/dbraw/zinc/32/57/02/542325702.db2.gz NJUMBNYGIGUVCC-UHFFFAOYSA-N -1 1 287.290 2.743 20 0 CFADMM COCc1ccsc1C(=O)Nc1ccc(F)cc1[O-] ZINC000352407597 382313938 /nfs/dbraw/zinc/31/39/38/382313938.db2.gz VQFDVAMPLFDMGK-UHFFFAOYSA-N -1 1 281.308 2.992 20 0 CFADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(C)cc2)[n-]c1=O ZINC000188020211 382326337 /nfs/dbraw/zinc/32/63/37/382326337.db2.gz VMBXVZQHDYCTQU-FMIVXFBMSA-N -1 1 298.342 2.816 20 0 CFADMM O=C(c1cncc([O-])c1)N1CC[C@@H](CC2CCCC2)C1 ZINC000364620396 382341490 /nfs/dbraw/zinc/34/14/90/382341490.db2.gz DKZOYCJKTAFKJP-ZDUSSCGKSA-N -1 1 274.364 2.830 20 0 CFADMM CCc1cc(=O)[n-]c(SCCN(C)c2ccccc2)n1 ZINC000188125094 382349188 /nfs/dbraw/zinc/34/91/88/382349188.db2.gz METOIFLDHSJMRM-UHFFFAOYSA-N -1 1 289.404 2.561 20 0 CFADMM O=C([N-][C@@H](c1ccncc1)c1cc(F)ccc1F)C(F)F ZINC000365337546 382380333 /nfs/dbraw/zinc/38/03/33/382380333.db2.gz QEUHJYORAOAJHP-LBPRGKRZSA-N -1 1 298.239 2.831 20 0 CFADMM CC(C)OC(=O)[C@H](C)CN=c1nc(C2CCCC2)[n-]s1 ZINC000420605303 382422181 /nfs/dbraw/zinc/42/21/81/382422181.db2.gz VHOYOIFHBVEDEY-SNVBAGLBSA-N -1 1 297.424 2.617 20 0 CFADMM CCc1nc(C(=O)[N-]c2nnc(CC(C)C)s2)co1 ZINC000346533593 382400718 /nfs/dbraw/zinc/40/07/18/382400718.db2.gz PMVSJOGOJGJDSQ-UHFFFAOYSA-N -1 1 280.353 2.539 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1COc2ccccc21 ZINC000188368388 382401271 /nfs/dbraw/zinc/40/12/71/382401271.db2.gz HLBLTDDZFVJDBM-VIFPVBQESA-N -1 1 290.706 2.555 20 0 CFADMM CC(C)C[C@@H]1CCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000307808472 382470184 /nfs/dbraw/zinc/47/01/84/382470184.db2.gz HBCBVZZXFAZMKN-JTQLQIEISA-N -1 1 268.382 2.709 20 0 CFADMM O=S(=O)(CCCCF)[N-]c1cc(Cl)ccc1O ZINC000294258060 382482167 /nfs/dbraw/zinc/48/21/67/382482167.db2.gz QPCQIPGEMPPRJJ-UHFFFAOYSA-N -1 1 281.736 2.537 20 0 CFADMM CC1(C)[C@H](O)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000314126367 382524660 /nfs/dbraw/zinc/52/46/60/382524660.db2.gz DWVMGYJLWZONPY-CQSZACIVSA-N -1 1 285.343 2.531 20 0 CFADMM CSCCN(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000382011495 382527817 /nfs/dbraw/zinc/52/78/17/382527817.db2.gz ZHLLUEQEKWNTFC-UHFFFAOYSA-N -1 1 273.785 2.833 20 0 CFADMM CCC[C@@]1(NC(=O)c2ccc(Cl)cc2[O-])CCOC1 ZINC000378716728 382502882 /nfs/dbraw/zinc/50/28/82/382502882.db2.gz AKJMDJADFKXHNA-CQSZACIVSA-N -1 1 283.755 2.735 20 0 CFADMM FC(F)(F)c1nc(=NCC2=CCCCC2)s[n-]1 ZINC000379872271 382509488 /nfs/dbraw/zinc/50/94/88/382509488.db2.gz QAZOEAFDXTVINA-UHFFFAOYSA-N -1 1 263.288 2.891 20 0 CFADMM Cc1nc(C2CC2)oc1C(=O)Nc1c([O-])cccc1F ZINC000680594753 542340754 /nfs/dbraw/zinc/34/07/54/542340754.db2.gz YDHQHQCYFLVQHV-UHFFFAOYSA-N -1 1 276.267 2.957 20 0 CFADMM CSCc1ccccc1NC(=O)c1cncc([O-])c1 ZINC000346855007 382545418 /nfs/dbraw/zinc/54/54/18/382545418.db2.gz ZDLKWWQVGVUBEF-UHFFFAOYSA-N -1 1 274.345 2.903 20 0 CFADMM Cc1nnsc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000384152692 382550453 /nfs/dbraw/zinc/55/04/53/382550453.db2.gz PVGVIPNHFAYLQN-UHFFFAOYSA-N -1 1 299.355 2.635 20 0 CFADMM O=C([N-]c1cnoc1)c1ccc(F)c(Cl)c1F ZINC000680621573 542344088 /nfs/dbraw/zinc/34/40/88/542344088.db2.gz DURHRXRMROERBR-UHFFFAOYSA-N -1 1 258.611 2.859 20 0 CFADMM CC(C)c1nc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cs1 ZINC000397502481 382633777 /nfs/dbraw/zinc/63/37/77/382633777.db2.gz SUBNNEAWRLCOEX-WDEREUQCSA-N -1 1 282.409 2.952 20 0 CFADMM O=C(NC[C@H]1CCCCC1(F)F)C(=O)c1ccc([O-])cc1 ZINC000295312902 382614111 /nfs/dbraw/zinc/61/41/11/382614111.db2.gz CNQJQTWXRIWBCP-LLVKDONJSA-N -1 1 297.301 2.517 20 0 CFADMM O=C(N[C@H]1CCO[C@H]1C1CC1)c1cc2ccccc2cc1[O-] ZINC000389737362 382616017 /nfs/dbraw/zinc/61/60/17/382616017.db2.gz LDFWXZYKHLPSNC-RDJZCZTQSA-N -1 1 297.354 2.843 20 0 CFADMM Cc1ccc(-c2n[nH]c(NC(=O)c3coc(C)c3)n2)o1 ZINC000189538921 382621150 /nfs/dbraw/zinc/62/11/50/382621150.db2.gz ZKTXUXCCDBNJQG-UHFFFAOYSA-N -1 1 272.264 2.527 20 0 CFADMM Cc1nnc(CNC(=O)c2cc3ccccc3cc2[O-])s1 ZINC000392178238 382621632 /nfs/dbraw/zinc/62/16/32/382621632.db2.gz RXDRDZGLEYJWDM-UHFFFAOYSA-N -1 1 299.355 2.635 20 0 CFADMM CCCc1cc(C(=O)Nc2ccncc2[O-])sc1C ZINC000358349687 382581340 /nfs/dbraw/zinc/58/13/40/382581340.db2.gz HJRZHSJRLRICNH-UHFFFAOYSA-N -1 1 276.361 2.784 20 0 CFADMM Cc1nc([C@H]2CCCN2C(=O)c2ncccc2[O-])cs1 ZINC000190010041 382650057 /nfs/dbraw/zinc/65/00/57/382650057.db2.gz ZKWJVNXFGJWNRU-LLVKDONJSA-N -1 1 289.360 2.529 20 0 CFADMM CC(C)c1nnc([N-]C(=O)c2ccnc(F)c2F)s1 ZINC000191350029 382698912 /nfs/dbraw/zinc/69/89/12/382698912.db2.gz HHQZEDCUAPNITN-UHFFFAOYSA-N -1 1 284.291 2.587 20 0 CFADMM CS[C@H](C)CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000191976346 382703848 /nfs/dbraw/zinc/70/38/48/382703848.db2.gz CSVXTJFUOQMUAD-ZCFIWIBFSA-N -1 1 260.746 2.521 20 0 CFADMM CCOc1cc(C(=O)NC(C)C)cc(Cl)c1[O-] ZINC000192952371 382713820 /nfs/dbraw/zinc/71/38/20/382713820.db2.gz GEMBETKYTVJMGG-UHFFFAOYSA-N -1 1 257.717 2.583 20 0 CFADMM CC(C)OCCCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000193196973 382716766 /nfs/dbraw/zinc/71/67/66/382716766.db2.gz PKZKLPOISZWPHB-UHFFFAOYSA-N -1 1 272.732 2.584 20 0 CFADMM CCc1onc(C)c1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000193926739 382729666 /nfs/dbraw/zinc/72/96/66/382729666.db2.gz QJFBJAIIMYMSIL-UHFFFAOYSA-N -1 1 288.279 2.587 20 0 CFADMM Cc1ccc(SCC[N-]C(=O)C(F)(F)F)cc1 ZINC000207214438 382773943 /nfs/dbraw/zinc/77/39/43/382773943.db2.gz CBNUDLPFAXGAFZ-UHFFFAOYSA-N -1 1 263.284 2.766 20 0 CFADMM C[C@H]1CCc2c(C(=O)Nc3ccncc3[O-])csc2C1 ZINC000336900512 382739179 /nfs/dbraw/zinc/73/91/79/382739179.db2.gz RWTOXQRLMWZWTN-VIFPVBQESA-N -1 1 288.372 2.648 20 0 CFADMM CC[C@H](C)[C@@H](NCc1cccc([O-])c1Cl)C(=O)OC ZINC000336905073 382740064 /nfs/dbraw/zinc/74/00/64/382740064.db2.gz WLYVSKQXUOYAJL-TVQRCGJNSA-N -1 1 285.771 2.723 20 0 CFADMM CC[C@@H]1C[C@@H](C(=O)Nc2nc(Cl)ccc2[O-])CCO1 ZINC000194576570 382749047 /nfs/dbraw/zinc/74/90/47/382749047.db2.gz NFRRJTRZXMYYRF-DTWKUNHWSA-N -1 1 284.743 2.584 20 0 CFADMM O=c1cc(C2CC2)nc(SCC(F)(F)F)[n-]1 ZINC000195082319 382760985 /nfs/dbraw/zinc/76/09/85/382760985.db2.gz DCCHURUEGCNDKP-UHFFFAOYSA-N -1 1 250.245 2.714 20 0 CFADMM C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000228492388 382846882 /nfs/dbraw/zinc/84/68/82/382846882.db2.gz RYZAQMVUIJWIPA-HNNXBMFYSA-N -1 1 295.766 2.572 20 0 CFADMM CCOc1cccc(CSc2ncc(C)c(=O)[n-]2)n1 ZINC000577077177 382847351 /nfs/dbraw/zinc/84/73/51/382847351.db2.gz HYPOQPQPIIJQCA-UHFFFAOYSA-N -1 1 277.349 2.577 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)[C@@H]3CC3(C)C)[nH][n-]2)s1 ZINC000337430850 382819788 /nfs/dbraw/zinc/81/97/88/382819788.db2.gz FVLBMLBMNLLVSK-VIFPVBQESA-N -1 1 275.377 2.853 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H]2CCCC[C@@H]21 ZINC000226269608 382825887 /nfs/dbraw/zinc/82/58/87/382825887.db2.gz LAPJSZWSOXJANT-HZMBPMFUSA-N -1 1 263.312 2.936 20 0 CFADMM COc1ccccc1[C@@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000226597503 382830145 /nfs/dbraw/zinc/83/01/45/382830145.db2.gz CHNHHZNGILPSRW-SSDOTTSWSA-N -1 1 279.233 2.773 20 0 CFADMM Cc1cc(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])on1 ZINC000576768912 382835645 /nfs/dbraw/zinc/83/56/45/382835645.db2.gz CKJDBQYMEHFDQE-HIFRSBDPSA-N -1 1 292.379 2.838 20 0 CFADMM Cc1cnc(C(=O)NC[C@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000337672753 382854108 /nfs/dbraw/zinc/85/41/08/382854108.db2.gz WRSVLAMMIJEFSS-JTQLQIEISA-N -1 1 284.306 2.651 20 0 CFADMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000337691935 382855631 /nfs/dbraw/zinc/85/56/31/382855631.db2.gz VISRAOASOKKBFE-ZJUUUORDSA-N -1 1 289.347 2.822 20 0 CFADMM Cc1cc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)oc1C(=O)[O-] ZINC000577389719 382857661 /nfs/dbraw/zinc/85/76/61/382857661.db2.gz NIGZWWBOLLOIKS-MFKMUULPSA-N -1 1 285.290 2.763 20 0 CFADMM CCC1(CC)[C@H](N=c2nc([C@H](C)OC)[n-]s2)C[C@@H]1OC ZINC000337786690 382864769 /nfs/dbraw/zinc/86/47/69/382864769.db2.gz BRNHNNOLJBIXQF-AXFHLTTASA-N -1 1 299.440 2.673 20 0 CFADMM CC(C)Oc1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC000337989552 382891275 /nfs/dbraw/zinc/89/12/75/382891275.db2.gz 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O=[S@@](C=C([O-])c1ccc[nH]1)[C@@H]1CCc2ccccc2C1 ZINC000567368158 383268712 /nfs/dbraw/zinc/26/87/12/383268712.db2.gz NNOCTWDLVCAFIJ-VLIAUNLRSA-N -1 1 287.384 2.504 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCC[C@@H]2C)c1 ZINC000424819395 383270542 /nfs/dbraw/zinc/27/05/42/383270542.db2.gz JMLGEGDWVWGKAS-CMPLNLGQSA-N -1 1 291.347 2.944 20 0 CFADMM CC(C)[C@@H]1CCc2[n-]n(CCc3ccccn3)c(=O)c2C1 ZINC000634614970 383275385 /nfs/dbraw/zinc/27/53/85/383275385.db2.gz UDHVSMKHISKKPR-UKRRQHHQSA-N -1 1 285.391 2.895 20 0 CFADMM O=c1c2c([n-]n1Cc1cnc3ccccc3c1)CCC2 ZINC000634618505 383277806 /nfs/dbraw/zinc/27/78/06/383277806.db2.gz UDCMXDNLTQXQCS-ZDUSSCGKSA-N -1 1 265.316 2.733 20 0 CFADMM C[C@H]1CCC2=NN(c3ccc(C(=O)[O-])cc3F)C(=O)[C@@H]2C1 ZINC000634619176 383279238 /nfs/dbraw/zinc/27/92/38/383279238.db2.gz RDXPTNALCUBIEU-WCBMZHEXSA-N -1 1 290.294 2.663 20 0 CFADMM C[C@H]1CCc2[nH]n(-c3ccc(C(=O)[O-])cc3F)c(=O)c2C1 ZINC000634619176 383279241 /nfs/dbraw/zinc/27/92/41/383279241.db2.gz 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/nfs/dbraw/zinc/31/73/53/383317353.db2.gz ZMIYUARXFWXDIK-GFCCVEGCSA-N -1 1 283.299 2.942 20 0 CFADMM CCOC(=O)c1csc(=N[C@@H](CC)CC(F)(F)F)[n-]1 ZINC000450435105 383410392 /nfs/dbraw/zinc/41/03/92/383410392.db2.gz CTGAHYFWNKPTLS-ZETCQYMHSA-N -1 1 296.314 2.885 20 0 CFADMM C[C@H](CNc1nc(C2CCCCC2)ns1)CC(=O)[O-] ZINC000568517341 383411269 /nfs/dbraw/zinc/41/12/69/383411269.db2.gz JAARJFOQZFCDDE-VIFPVBQESA-N -1 1 283.397 2.530 20 0 CFADMM C[C@@H]1CC[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)[C@@H](C)C1 ZINC000253542526 383462112 /nfs/dbraw/zinc/46/21/12/383462112.db2.gz GYUUSLFKZFXMLQ-NTZNESFSSA-N -1 1 299.374 2.890 20 0 CFADMM CC1(C(=O)[N-]O[C@H]2CCCCO2)CCC(F)(F)CC1 ZINC000528331086 383495030 /nfs/dbraw/zinc/49/50/30/383495030.db2.gz MDSYDFNZOVNTMW-JTQLQIEISA-N -1 1 277.311 2.776 20 0 CFADMM CC(C)[C@@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC000450970419 383573118 /nfs/dbraw/zinc/57/31/18/383573118.db2.gz NDCZFTOYLJHKDS-SSDOTTSWSA-N -1 1 267.803 2.724 20 0 CFADMM C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1[O-])N(C)C ZINC000635756247 383639961 /nfs/dbraw/zinc/63/99/61/383639961.db2.gz SMVAFWZGINBHGA-ZCFIWIBFSA-N -1 1 277.151 2.588 20 0 CFADMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000451437582 383616196 /nfs/dbraw/zinc/61/61/96/383616196.db2.gz UUXWVKGEAQFRAO-SFYZADRCSA-N -1 1 279.814 2.868 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cn1 ZINC000430981833 383618852 /nfs/dbraw/zinc/61/88/52/383618852.db2.gz LNMFXWUXXJILRE-UHFFFAOYSA-N -1 1 276.361 2.808 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2CC(C)C)c1 ZINC000451458695 383619325 /nfs/dbraw/zinc/61/93/25/383619325.db2.gz OUSLUIHKCNYDNM-VXGBXAGGSA-N -1 1 291.347 2.800 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)CC2CC(F)(F)C2)c1 ZINC000451460018 383619391 /nfs/dbraw/zinc/61/93/91/383619391.db2.gz RBXFALQJSBDIBS-UHFFFAOYSA-N -1 1 299.273 2.553 20 0 CFADMM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)CC(F)F ZINC000645796097 383751113 /nfs/dbraw/zinc/75/11/13/383751113.db2.gz GBGWYZDGNZNILS-SSDOTTSWSA-N -1 1 299.289 2.534 20 0 CFADMM CC[C@@H]1CCN1C(=O)N=c1[n-]sc2ccccc21 ZINC000640340057 383765697 /nfs/dbraw/zinc/76/56/97/383765697.db2.gz MZFJGSKXTBPLAT-SECBINFHSA-N -1 1 261.350 2.734 20 0 CFADMM COCCC(C)(C)NC(=O)N=c1[n-]sc2ccccc21 ZINC000640338928 383765961 /nfs/dbraw/zinc/76/59/61/383765961.db2.gz HOTRZZPMVVXOIU-UHFFFAOYSA-N -1 1 293.392 2.655 20 0 CFADMM CCC(F)(F)CNC(=O)N=c1[n-]sc2ccccc21 ZINC000640343448 383766987 /nfs/dbraw/zinc/76/69/87/383766987.db2.gz QDJUHQBKJYNPCY-UHFFFAOYSA-N -1 1 285.319 2.885 20 0 CFADMM C[C@H]1CN(C(=O)N=c2[n-]sc3ccccc32)C[C@@H]1C ZINC000640340595 383767039 /nfs/dbraw/zinc/76/70/39/383767039.db2.gz KXZAHWYRYHMASK-UWVGGRQHSA-N -1 1 275.377 2.838 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)c2ccccc2)c1 ZINC000436503417 383823866 /nfs/dbraw/zinc/82/38/66/383823866.db2.gz GSCNNFUQAPMQLP-NSHDSACASA-N -1 1 299.326 2.921 20 0 CFADMM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000572463902 383783768 /nfs/dbraw/zinc/78/37/68/383783768.db2.gz UYSNYONVULDTSE-MWLCHTKSSA-N -1 1 265.334 2.510 20 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COCC[C@@H]1CCCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681089995 542409591 /nfs/dbraw/zinc/40/95/91/542409591.db2.gz UYHYDNGVVIFWJF-LBPRGKRZSA-N -1 1 295.354 2.810 20 0 CFADMM CC(C)(C)[C@H]1C[C@@H](NC(=O)c2ccc([O-])c(F)c2)CCO1 ZINC000681062980 542406898 /nfs/dbraw/zinc/40/68/98/542406898.db2.gz GPJFUSCMTYGQQJ-SMDDNHRTSA-N -1 1 295.354 2.855 20 0 CFADMM Cc1cnc([C@@H](C)CNC(=O)c2ccc([O-])c(F)c2)s1 ZINC000681067578 542407200 /nfs/dbraw/zinc/40/72/00/542407200.db2.gz AZLGWGADZMDNQS-QMMMGPOBSA-N -1 1 294.351 2.830 20 0 CFADMM O=C(N[C@@H]1CC12CCCCC2)c1ccc([O-])c(F)c1 ZINC000681066611 542407231 /nfs/dbraw/zinc/40/72/31/542407231.db2.gz QAJIJELAHWCPFS-CYBMUJFWSA-N -1 1 263.312 2.984 20 0 CFADMM CC(C)O[C@@H]1C[C@H](NC(=O)c2ccc([O-])c(F)c2)C1(C)C ZINC000681078012 542407923 /nfs/dbraw/zinc/40/79/23/542407923.db2.gz CQLLRXHLFXSKMX-UONOGXRCSA-N -1 1 295.354 2.853 20 0 CFADMM C[C@@H]1CCCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681363477 542443910 /nfs/dbraw/zinc/44/39/10/542443910.db2.gz 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ZINC000684868931 542864415 /nfs/dbraw/zinc/86/44/15/542864415.db2.gz KAONTJFTMHCSET-UHFFFAOYSA-N -1 1 296.248 2.736 20 0 CFADMM C[C@H]1CCC[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000119602219 393921046 /nfs/dbraw/zinc/92/10/46/393921046.db2.gz VTPCKXAELLJYJR-UWVGGRQHSA-N -1 1 251.301 2.840 20 0 CFADMM CO[C@@H](CNC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000119629797 393922244 /nfs/dbraw/zinc/92/22/44/393922244.db2.gz UBRJHSNEALFYRB-AWEZNQCLSA-N -1 1 289.306 2.649 20 0 CFADMM O=C(NC1(CCO)CCCCC1)c1ccc(Cl)cc1[O-] ZINC000436798302 394022201 /nfs/dbraw/zinc/02/22/01/394022201.db2.gz SIAOEYUZLNCQAH-UHFFFAOYSA-N -1 1 297.782 2.861 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cn1 ZINC000121318649 393953860 /nfs/dbraw/zinc/95/38/60/393953860.db2.gz KLDDVVYFKJWOTC-UHFFFAOYSA-N -1 1 294.351 2.947 20 0 CFADMM CCCn1cc(CN[C@H](CC(=O)[O-])c2ccsc2)cn1 ZINC000417540310 393973062 /nfs/dbraw/zinc/97/30/62/393973062.db2.gz WWEJKQVAAXVDDA-CYBMUJFWSA-N -1 1 293.392 2.660 20 0 CFADMM Cc1cc(C)cc(C[C@@H](NCc2ccco2)C(=O)[O-])c1 ZINC000417573958 393978239 /nfs/dbraw/zinc/97/82/39/393978239.db2.gz QWTVVOLGMOUXOX-OAHLLOKOSA-N -1 1 273.332 2.682 20 0 CFADMM Cc1csc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000417620201 393985197 /nfs/dbraw/zinc/98/51/97/393985197.db2.gz FXAAZTCEFWUQDP-STQMWFEESA-N -1 1 288.372 2.854 20 0 CFADMM Cc1noc(C)c1CN[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417636082 393988270 /nfs/dbraw/zinc/98/82/70/393988270.db2.gz XDFYFVDDUJBCKA-UKRRQHHQSA-N -1 1 286.331 2.694 20 0 CFADMM Cc1ccc(CN[C@@H](Cc2ccc(C)c(C)c2)C(=O)[O-])o1 ZINC000417647523 393988847 /nfs/dbraw/zinc/98/88/47/393988847.db2.gz FZKZNIPWXRNIIT-INIZCTEOSA-N -1 1 287.359 2.990 20 0 CFADMM CCOC[C@@H](NCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000417649471 393989904 /nfs/dbraw/zinc/98/99/04/393989904.db2.gz RMGXDFNYCGBHMC-SSDOTTSWSA-N -1 1 298.191 2.634 20 0 CFADMM COCc1ccc(CNCc2ccc(C(=O)[O-])c(C)c2)o1 ZINC000417666890 393991210 /nfs/dbraw/zinc/99/12/10/393991210.db2.gz GZZBPBNQTRUXRC-UHFFFAOYSA-N -1 1 289.331 2.722 20 0 CFADMM O=C(NC/C=C/c1ccccc1)c1c([O-])cccc1F ZINC000124281022 393993294 /nfs/dbraw/zinc/99/32/94/393993294.db2.gz KKKHNRNVUZLRDF-VMPITWQZSA-N -1 1 271.291 2.975 20 0 CFADMM O=C([O-])[C@@H]1CCCCN1Cc1cc(F)ccc1Cl ZINC000124443366 393994820 /nfs/dbraw/zinc/99/48/20/393994820.db2.gz GOKJJYNPXWSDPS-LBPRGKRZSA-N -1 1 271.719 2.918 20 0 CFADMM O=C(CC[C@H]1CCCCO1)Nc1ccc(F)cc1[O-] ZINC000269016632 393999077 /nfs/dbraw/zinc/99/90/77/393999077.db2.gz IRYNPEBGQMFFBF-LLVKDONJSA-N -1 1 267.300 2.819 20 0 CFADMM CN(CCCC(=O)[O-])Cc1ncc(-c2cccs2)o1 ZINC000430683521 394003989 /nfs/dbraw/zinc/00/39/89/394003989.db2.gz ZTVKBGTYLUILSS-UHFFFAOYSA-N -1 1 280.349 2.700 20 0 CFADMM C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1c([O-])cccc1F ZINC000436940164 394037659 /nfs/dbraw/zinc/03/76/59/394037659.db2.gz UMACYMUQUYXCDW-PSLIRLAXSA-N -1 1 287.290 2.783 20 0 CFADMM CCN(C(=O)c1ccc(O)cc1[O-])c1cccc(OC)c1 ZINC000436957381 394038326 /nfs/dbraw/zinc/03/83/26/394038326.db2.gz XGTNXVWVYUZLSE-UHFFFAOYSA-N -1 1 287.315 2.773 20 0 CFADMM Cc1cc(NC(=O)c2cc(F)ccc2[O-])cc2n[nH]cc21 ZINC000436959892 394038740 /nfs/dbraw/zinc/03/87/40/394038740.db2.gz FMNIFTDOKROCKJ-UHFFFAOYSA-N -1 1 285.278 2.968 20 0 CFADMM CCc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1F ZINC000436972397 394039568 /nfs/dbraw/zinc/03/95/68/394039568.db2.gz ODGXOOFDHVWJJD-UHFFFAOYSA-N -1 1 287.290 2.915 20 0 CFADMM CCc1nc(=N[C@H](C)[C@@H](c2ccccc2)N(C)C)s[n-]1 ZINC000439128513 394100524 /nfs/dbraw/zinc/10/05/24/394100524.db2.gz OKCCRVVKDJXRPM-RISCZKNCSA-N -1 1 290.436 2.626 20 0 CFADMM CCC(CC)c1nnc([N-]C(=O)c2ncoc2C)s1 ZINC000128063455 394062070 /nfs/dbraw/zinc/06/20/70/394062070.db2.gz MQOCCPFESYPRRJ-UHFFFAOYSA-N -1 1 280.353 2.990 20 0 CFADMM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cncc([O-])c2)C1 ZINC000279457392 394066854 /nfs/dbraw/zinc/06/68/54/394066854.db2.gz OQGVOVISSOZTKC-GFCCVEGCSA-N -1 1 297.358 2.520 20 0 CFADMM C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000128597545 394073126 /nfs/dbraw/zinc/07/31/26/394073126.db2.gz AZHYAYXMTYPKPF-SKDRFNHKSA-N -1 1 251.301 2.840 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1O ZINC000438767715 394081333 /nfs/dbraw/zinc/08/13/33/394081333.db2.gz AHPOUCCREIYJJN-UHFFFAOYSA-N -1 1 295.335 2.949 20 0 CFADMM O=S(=O)([N-]c1ccccc1-c1cn[nH]c1)c1ccccc1 ZINC000438817314 394082047 /nfs/dbraw/zinc/08/20/47/394082047.db2.gz FERBGSLBNFBCRI-UHFFFAOYSA-N -1 1 299.355 2.878 20 0 CFADMM CC1(CCNC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436846248 394028915 /nfs/dbraw/zinc/02/89/15/394028915.db2.gz BMPXJKLLHJFOPO-UHFFFAOYSA-N -1 1 253.729 2.966 20 0 CFADMM C[C@]1(NC(=O)c2ccc(Cl)cc2[O-])CCO[C@@H]1C1CC1 ZINC000436861388 394029694 /nfs/dbraw/zinc/02/96/94/394029694.db2.gz UEWHDKZRYPHUHW-HIFRSBDPSA-N -1 1 295.766 2.733 20 0 CFADMM C[C@@H]1CCc2onc(C(=O)Nc3ccc(F)cc3[O-])c2C1 ZINC000436900707 394032822 /nfs/dbraw/zinc/03/28/22/394032822.db2.gz JKHURRGAGAPQFD-MRVPVSSYSA-N -1 1 290.294 2.896 20 0 CFADMM O=C(Nc1ccc(CO)c(Cl)c1)c1cc(F)ccc1[O-] ZINC000436914927 394034315 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524336976 /nfs/dbraw/zinc/33/69/76/524336976.db2.gz AECFTPDZHXXJNS-KCJUWKMLSA-N -1 1 291.775 2.946 20 0 CFADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000074850194 525335080 /nfs/dbraw/zinc/33/50/80/525335080.db2.gz JHLMRGDVBNHQOW-UHFFFAOYSA-N -1 1 287.344 2.672 20 0 CFADMM C[C@H](NCc1cccc([O-])c1Cl)c1ccon1 ZINC000339346605 525459475 /nfs/dbraw/zinc/45/94/75/525459475.db2.gz CWDOHRCVDOIQTA-QMMMGPOBSA-N -1 1 252.701 2.884 20 0 CFADMM Cc1ccnc([C@H](C)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000263443424 525713781 /nfs/dbraw/zinc/71/37/81/525713781.db2.gz XDCZYGAKJHUSPL-LBPRGKRZSA-N -1 1 270.332 2.939 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)C(C)(C)C)[nH][n-]2)s1 ZINC000332408275 525717054 /nfs/dbraw/zinc/71/70/54/525717054.db2.gz YTYYXSMTLDDEBG-UHFFFAOYSA-N -1 1 263.366 2.853 20 0 CFADMM Cc1ccoc1CN[C@@]1(C(=O)[O-])CCC[C@@H](C)C1 ZINC000340679748 525806801 /nfs/dbraw/zinc/80/68/01/525806801.db2.gz MZAVRKGHTWZVOC-YGRLFVJLSA-N -1 1 251.326 2.711 20 0 CFADMM Cc1c(NC(=O)c2ccc(C(C)C)cc2[O-])cnn1C ZINC000336327519 525861120 /nfs/dbraw/zinc/86/11/20/525861120.db2.gz XBETUNXBTJQQRZ-UHFFFAOYSA-N -1 1 273.336 2.810 20 0 CFADMM C[C@H](c1c(F)cccc1F)N(C)C(=O)c1ncccc1[O-] ZINC000336106722 526032655 /nfs/dbraw/zinc/03/26/55/526032655.db2.gz IJDPBLLSGZQGGZ-SECBINFHSA-N -1 1 292.285 2.899 20 0 CFADMM O=C([O-])[C@@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167662247 526279750 /nfs/dbraw/zinc/27/97/50/526279750.db2.gz RCVBYFPEKMEQDL-SECBINFHSA-N -1 1 291.244 2.751 20 0 CFADMM O=C(NC[C@@H]1CC12CCSCC2)c1ccc([O-])cc1F ZINC000335074752 526498680 /nfs/dbraw/zinc/49/86/80/526498680.db2.gz QZLMAXGHWMEPPZ-JTQLQIEISA-N -1 1 295.379 2.794 20 0 CFADMM O=C(NC[C@H]1CC12CCSCC2)c1c([O-])cccc1F ZINC000335072286 526585488 /nfs/dbraw/zinc/58/54/88/526585488.db2.gz DNNUSPOJIFLELQ-SNVBAGLBSA-N -1 1 295.379 2.794 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000335161679 526622595 /nfs/dbraw/zinc/62/25/95/526622595.db2.gz IPUSQBNRLLHUFQ-UKRRQHHQSA-N -1 1 275.323 2.792 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](CCO)CC1 ZINC000335028222 526679293 /nfs/dbraw/zinc/67/92/93/526679293.db2.gz HMKLHRMEEBWKPU-NSHDSACASA-N -1 1 297.782 2.670 20 0 CFADMM O=C(NCc1cccs1)c1c(F)ccc([O-])c1F ZINC000336438648 526783097 /nfs/dbraw/zinc/78/30/97/526783097.db2.gz GRSZAUSWZUSEPW-UHFFFAOYSA-N -1 1 269.272 2.662 20 0 CFADMM O=C(c1ncccc1[O-])N1CC=C(c2ccccc2)CC1 ZINC000171235701 526921416 /nfs/dbraw/zinc/92/14/16/526921416.db2.gz UYAJHCMURFINKE-UHFFFAOYSA-N -1 1 280.327 2.717 20 0 CFADMM O=C(COc1cccc(F)c1)Nc1ccc(F)cc1[O-] ZINC000340327399 526977660 /nfs/dbraw/zinc/97/76/60/526977660.db2.gz KLOQHGFMPLXBAV-UHFFFAOYSA-N -1 1 279.242 2.688 20 0 CFADMM O=C(N[C@H]1CC12CCCC2)c1c(F)ccc([O-])c1F ZINC000336447409 527016081 /nfs/dbraw/zinc/01/60/81/527016081.db2.gz FLEWZEKMKKAAAX-JTQLQIEISA-N -1 1 267.275 2.733 20 0 CFADMM CC(=O)c1[n-]c(=N[C@@H]2CCCC[C@H]2F)sc1C ZINC000413538587 527156773 /nfs/dbraw/zinc/15/67/73/527156773.db2.gz YGDZCFAOQCBEMU-NXEZZACHSA-N -1 1 256.346 2.769 20 0 CFADMM O=S(=O)([N-]CCCCF)c1cccc(Cl)c1F ZINC000360259950 527213548 /nfs/dbraw/zinc/21/35/48/527213548.db2.gz ASNKZJAEIUHUEJ-UHFFFAOYSA-N -1 1 283.727 2.507 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1Cc2ccccc21 ZINC000336128814 527214399 /nfs/dbraw/zinc/21/43/99/527214399.db2.gz AVXZBTBAGRDYIA-LBPRGKRZSA-N -1 1 257.264 2.810 20 0 CFADMM O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)c1ccccc1 ZINC000146276502 527247272 /nfs/dbraw/zinc/24/72/72/527247272.db2.gz ARJYKASSXJSOHS-UHFFFAOYSA-N -1 1 299.355 2.878 20 0 CFADMM O=C(Nc1ccc(OCC(F)F)cc1)c1cncc([O-])c1 ZINC000339916397 527247313 /nfs/dbraw/zinc/24/73/13/527247313.db2.gz GBPMELOABBSVMH-UHFFFAOYSA-N -1 1 294.257 2.683 20 0 CFADMM O=S(=O)([N-]c1ccccc1F)c1cncc(Cl)c1 ZINC000336371625 527255115 /nfs/dbraw/zinc/25/51/15/527255115.db2.gz DHRNSYKDUWQQLH-UHFFFAOYSA-N -1 1 286.715 2.675 20 0 CFADMM O=C(Nc1cccc(C(F)F)c1)c1cncc([O-])c1 ZINC000335071910 527333955 /nfs/dbraw/zinc/33/39/55/527333955.db2.gz IPFXOMKREIUTBM-UHFFFAOYSA-N -1 1 264.231 2.977 20 0 CFADMM C/C=C/C[C@@H](CO)NC(=O)c1cc2ccccc2cc1[O-] ZINC000187180577 527635763 /nfs/dbraw/zinc/63/57/63/527635763.db2.gz PEKNXPXUXJYBIP-HSWBROFVSA-N -1 1 285.343 2.602 20 0 CFADMM O=C(C(=O)N1CCCC2(CCCC2)C1)c1ccc([O-])cc1 ZINC000334914890 527664447 /nfs/dbraw/zinc/66/44/47/527664447.db2.gz MWEKEWILVPNQEU-UHFFFAOYSA-N -1 1 287.359 2.758 20 0 CFADMM CCC1(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000175656896 527750713 /nfs/dbraw/zinc/75/07/13/527750713.db2.gz WUPJASPFXDSMJZ-UHFFFAOYSA-N -1 1 293.310 2.572 20 0 CFADMM CCC[C@H](NC(=O)CCC1CCCCC1)c1nn[n-]n1 ZINC000176777132 528173494 /nfs/dbraw/zinc/17/34/94/528173494.db2.gz RZBIVGCJHWMLQJ-LBPRGKRZSA-N -1 1 279.388 2.518 20 0 CFADMM CC(C)c1cnc(NC(=O)c2ccc(O)cc2[O-])s1 ZINC000172676972 528225270 /nfs/dbraw/zinc/22/52/70/528225270.db2.gz PBZMTFVIYLVPLL-UHFFFAOYSA-N -1 1 278.333 2.930 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)NC(C)(C)C)n1 ZINC000015805338 528613875 /nfs/dbraw/zinc/61/38/75/528613875.db2.gz IOHOICZVSKUFRC-VIFPVBQESA-N -1 1 297.424 2.530 20 0 CFADMM CC[C@H]1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000153166076 529239196 /nfs/dbraw/zinc/23/91/96/529239196.db2.gz GIJFNVMJJHPPAJ-NSHDSACASA-N -1 1 285.347 2.516 20 0 CFADMM CC[C@H]1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000153166076 529239197 /nfs/dbraw/zinc/23/91/97/529239197.db2.gz GIJFNVMJJHPPAJ-NSHDSACASA-N -1 1 285.347 2.516 20 0 CFADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000426846228 529334808 /nfs/dbraw/zinc/33/48/08/529334808.db2.gz TUUKCPXCEULXIV-NXEZZACHSA-N -1 1 281.425 2.694 20 0 CFADMM CC[C@H](CNC(=O)c1ncc(C)cc1[O-])CC(F)(F)F ZINC000414005782 529360555 /nfs/dbraw/zinc/36/05/55/529360555.db2.gz OWCTZOBQAJLHLH-VIFPVBQESA-N -1 1 290.285 2.804 20 0 CFADMM CC[C@@H](C)[C@@H](OC)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456781003 535700463 /nfs/dbraw/zinc/70/04/63/535700463.db2.gz JLFIXHPFGGWQGX-JMCQJSRRSA-N -1 1 273.279 2.670 20 0 CFADMM CC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(F)F ZINC000452673993 535799529 /nfs/dbraw/zinc/79/95/29/535799529.db2.gz PXZRQPFWFKIDSN-MRVPVSSYSA-N -1 1 293.697 2.828 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)CC(C)C)c1 ZINC000436511457 536791402 /nfs/dbraw/zinc/79/14/02/536791402.db2.gz WKZZJDLTLQCJTO-JTQLQIEISA-N -1 1 279.336 2.800 20 0 CFADMM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)Nc1ccc(F)cc1[O-] ZINC000935101122 649875520 /nfs/dbraw/zinc/87/55/20/649875520.db2.gz UXJCZHUMHUSQHI-FZMZJTMJSA-N -1 1 279.311 2.818 20 0 CFADMM CCCC[C@H](CC)CNc1cccc(-c2nnn[n-]2)n1 ZINC000736439408 574053412 /nfs/dbraw/zinc/05/34/12/574053412.db2.gz VDYSWZMEXROMLA-NSHDSACASA-N -1 1 274.372 2.890 20 0 CFADMM CCCC[C@H](CC)CNc1cccc(-c2nn[n-]n2)n1 ZINC000736439408 574053415 /nfs/dbraw/zinc/05/34/15/574053415.db2.gz VDYSWZMEXROMLA-NSHDSACASA-N -1 1 274.372 2.890 20 0 CFADMM CCCCCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736446024 574054246 /nfs/dbraw/zinc/05/42/46/574054246.db2.gz GYMYRSCAXNEPLK-UHFFFAOYSA-N -1 1 280.763 2.907 20 0 CFADMM CCCCCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736446024 574054249 /nfs/dbraw/zinc/05/42/49/574054249.db2.gz GYMYRSCAXNEPLK-UHFFFAOYSA-N -1 1 280.763 2.907 20 0 CFADMM C[C@H](c1nnc(-c2cccs2)o1)N(C)C[C@H](C)C(=O)[O-] ZINC000736573377 574060839 /nfs/dbraw/zinc/06/08/39/574060839.db2.gz UUFYMDQBQFUVAE-DTWKUNHWSA-N -1 1 295.364 2.512 20 0 CFADMM CC(C)n1ccn(CN(C[C@@H](C)C(=O)[O-])C2CC2)c1=S ZINC000736584951 574061378 /nfs/dbraw/zinc/06/13/78/574061378.db2.gz ZKIGGYAFQWSSMA-LLVKDONJSA-N -1 1 297.424 2.743 20 0 CFADMM CC(C)n1ccn(CN(C[C@H](C)C(=O)[O-])C2CC2)c1=S ZINC000736584955 574061580 /nfs/dbraw/zinc/06/15/80/574061580.db2.gz ZKIGGYAFQWSSMA-NSHDSACASA-N -1 1 297.424 2.743 20 0 CFADMM CC(C)COc1ccc(CC[N-]C(=O)C(F)(F)F)cc1 ZINC000730228065 574064628 /nfs/dbraw/zinc/06/46/28/574064628.db2.gz ZEUSKULNPLIWNS-UHFFFAOYSA-N -1 1 289.297 2.942 20 0 CFADMM CCc1ccc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000736683932 574065756 /nfs/dbraw/zinc/06/57/56/574065756.db2.gz GDEPWBLQQMKYJK-LLVKDONJSA-N -1 1 294.362 2.997 20 0 CFADMM CCc1ccc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000736683932 574065757 /nfs/dbraw/zinc/06/57/57/574065757.db2.gz GDEPWBLQQMKYJK-LLVKDONJSA-N -1 1 294.362 2.997 20 0 CFADMM O=C([N-]Cc1cocn1)C(F)(F)c1cccc(Cl)c1 ZINC000730764137 574095853 /nfs/dbraw/zinc/09/58/53/574095853.db2.gz UDDMUAIJYWNNCD-UHFFFAOYSA-N -1 1 286.665 2.736 20 0 CFADMM CC[C@H](c1ccc(F)cc1)N1CCCN(C(=O)[O-])CC1 ZINC000737784319 574098614 /nfs/dbraw/zinc/09/86/14/574098614.db2.gz TXORBEBWWCZRQD-CQSZACIVSA-N -1 1 280.343 2.963 20 0 CFADMM CCN1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000737113136 574113350 /nfs/dbraw/zinc/11/33/50/574113350.db2.gz ALCSEPBRAPYYJK-CYBMUJFWSA-N -1 1 291.351 2.589 20 0 CFADMM CSc1cc(O)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC000754741417 574117879 /nfs/dbraw/zinc/11/78/79/574117879.db2.gz LTEKXDZPILKJGZ-UHFFFAOYSA-N -1 1 291.328 2.778 20 0 CFADMM Cc1ccc([C@@H](C)CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000737322642 574135236 /nfs/dbraw/zinc/13/52/36/574135236.db2.gz ZURYIXFSYCDDBM-LBPRGKRZSA-N -1 1 294.362 2.786 20 0 CFADMM Cc1ccc([C@@H](C)CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000737322642 574135237 /nfs/dbraw/zinc/13/52/37/574135237.db2.gz ZURYIXFSYCDDBM-LBPRGKRZSA-N -1 1 294.362 2.786 20 0 CFADMM Cc1nc(Sc2cccc(F)c2-c2nnn[n-]2)oc1C ZINC000737483882 574144464 /nfs/dbraw/zinc/14/44/64/574144464.db2.gz PVQUXKZVQFDFEF-UHFFFAOYSA-N -1 1 291.311 2.762 20 0 CFADMM Cc1nc(Sc2cccc(F)c2-c2nn[n-]n2)oc1C ZINC000737483882 574144466 /nfs/dbraw/zinc/14/44/66/574144466.db2.gz PVQUXKZVQFDFEF-UHFFFAOYSA-N -1 1 291.311 2.762 20 0 CFADMM Cc1n[n-]cc1S(=O)(=O)Oc1cc(C)ccc1C(C)C ZINC000732214223 574147003 /nfs/dbraw/zinc/14/70/03/574147003.db2.gz BNLCNZADSVOYOW-UHFFFAOYSA-N -1 1 294.376 2.918 20 0 CFADMM Cc1cnccc1CCNC(=O)c1c([O-])cccc1Cl ZINC000755311722 574153558 /nfs/dbraw/zinc/15/35/58/574153558.db2.gz ASIPMLGZPYFKQV-UHFFFAOYSA-N -1 1 290.750 2.722 20 0 CFADMM Cc1[nH]c(C(=O)CN(C(C)C)C2CCC2)c(C)c1C(=O)[O-] ZINC000738152830 574158393 /nfs/dbraw/zinc/15/83/93/574158393.db2.gz IKXCCKCYYMSTES-UHFFFAOYSA-N -1 1 292.379 2.775 20 0 CFADMM C[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccn1 ZINC000738225435 574160927 /nfs/dbraw/zinc/16/09/27/574160927.db2.gz YJRJQXZRJPXVCR-HZMBPMFUSA-N -1 1 274.295 2.697 20 0 CFADMM COC(=O)/C(=C\c1ccc([O-])c(F)c1)c1ccncc1 ZINC000755586097 574169351 /nfs/dbraw/zinc/16/93/51/574169351.db2.gz HQHBHIMOQHJHSL-WQLSENKSSA-N -1 1 273.263 2.640 20 0 CFADMM CC1(C)C[C@@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000732834658 574175284 /nfs/dbraw/zinc/17/52/84/574175284.db2.gz DBWDQBRMAUZNTD-MRVPVSSYSA-N -1 1 253.729 2.822 20 0 CFADMM CC(C)(C)c1nc(SCC2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000738727595 574182521 /nfs/dbraw/zinc/18/25/21/574182521.db2.gz WFZYSXFACNAZQT-UHFFFAOYSA-N -1 1 298.412 2.584 20 0 CFADMM CC(C)(C)c1nnc(SCC2CCN(C(=O)[O-])CC2)[nH]1 ZINC000738727595 574182524 /nfs/dbraw/zinc/18/25/24/574182524.db2.gz WFZYSXFACNAZQT-UHFFFAOYSA-N -1 1 298.412 2.584 20 0 CFADMM C[C@@H](NC(=O)[O-])C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000739016898 574192870 /nfs/dbraw/zinc/19/28/70/574192870.db2.gz WRGOMNXQWRTHTD-SNVBAGLBSA-N -1 1 298.333 2.833 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1Cc1ccccc1F ZINC000739004278 574193146 /nfs/dbraw/zinc/19/31/46/574193146.db2.gz UVIWGDJNGZCKMZ-BXUZGUMPSA-N -1 1 280.343 2.836 20 0 CFADMM C[C@H](c1c(F)cccc1F)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739050587 574194533 /nfs/dbraw/zinc/19/45/33/574194533.db2.gz AZOSOSHGDLDPMW-MNOVXSKESA-N -1 1 298.333 2.958 20 0 CFADMM C[C@@H](c1cc(F)ccc1F)N(C)CCCNC(=O)[O-] ZINC000739055974 574195365 /nfs/dbraw/zinc/19/53/65/574195365.db2.gz ZDYDYVDXDAEDCV-VIFPVBQESA-N -1 1 272.295 2.615 20 0 CFADMM C[C@@H]1C[C@@H]1c1ccc(CNC(C)(C)CNC(=O)[O-])o1 ZINC000739089364 574197778 /nfs/dbraw/zinc/19/77/78/574197778.db2.gz KEEOHNOVPGPQIO-KOLCDFICSA-N -1 1 266.341 2.539 20 0 CFADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccn1C ZINC000414374079 574205889 /nfs/dbraw/zinc/20/58/89/574205889.db2.gz NTUHBMNVEQQGFC-UHFFFAOYSA-N -1 1 292.404 2.951 20 0 CFADMM O=C(CSc1ccc(Cl)nn1)c1ccc([O-])cc1 ZINC000747806499 574213299 /nfs/dbraw/zinc/21/32/99/574213299.db2.gz RWAZJUAFYJSKCV-UHFFFAOYSA-N -1 1 280.736 2.811 20 0 CFADMM CCCCCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000729852897 574234223 /nfs/dbraw/zinc/23/42/23/574234223.db2.gz XDSPEKMZQNPTAX-UHFFFAOYSA-N -1 1 295.326 2.963 20 0 CFADMM O=C([O-])c1ccc(CNCc2cccc3cc[nH]c32)o1 ZINC000740132953 574238840 /nfs/dbraw/zinc/23/88/40/574238840.db2.gz PBJDLUAGLMYVHE-UHFFFAOYSA-N -1 1 270.288 2.749 20 0 CFADMM Cc1nc(CN[C@]2(CNC(=O)[O-])CCCC[C@@H]2C)cs1 ZINC000740224711 574243651 /nfs/dbraw/zinc/24/36/51/574243651.db2.gz RTADBOPPWLYWMH-HZMBPMFUSA-N -1 1 297.424 2.758 20 0 CFADMM O=C([O-])N1CC[C@H](Nc2ccnc3cc(F)ccc32)C1 ZINC000740506303 574252178 /nfs/dbraw/zinc/25/21/78/574252178.db2.gz KNLWIDFKWSRYTI-JTQLQIEISA-N -1 1 275.283 2.538 20 0 CFADMM O=C([O-])N1CCC[C@H](C[NH2+]Cc2ccc([O-])c(Cl)c2)C1 ZINC000740513225 574252512 /nfs/dbraw/zinc/25/25/12/574252512.db2.gz UAJOBAYRJKUWJC-LLVKDONJSA-N -1 1 298.770 2.525 20 0 CFADMM O=C(C=C1CCC1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000756729584 574259545 /nfs/dbraw/zinc/25/95/45/574259545.db2.gz SMMMLIGIACFHTO-UHFFFAOYSA-N -1 1 286.283 2.652 20 0 CFADMM O=C([O-])NC[C@@H]1CCN(Cc2ccc(F)cc2Cl)C1 ZINC000740646983 574260123 /nfs/dbraw/zinc/26/01/23/574260123.db2.gz VIVSGVUYNIDVKL-VIFPVBQESA-N -1 1 286.734 2.569 20 0 CFADMM CC1=C(C(=O)Nc2c([O-])cccc2F)CCCO1 ZINC000756772088 574261845 /nfs/dbraw/zinc/26/18/45/574261845.db2.gz DTASFYCUPNWGTA-UHFFFAOYSA-N -1 1 251.257 2.554 20 0 CFADMM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc(O)cc1[O-] ZINC000748687203 574262893 /nfs/dbraw/zinc/26/28/93/574262893.db2.gz YZLUTSKQASCKGF-LLVKDONJSA-N -1 1 299.326 2.834 20 0 CFADMM O=C(COC(=O)c1c([O-])cc(F)cc1F)C1CCCCC1 ZINC000749285026 574287887 /nfs/dbraw/zinc/28/78/87/574287887.db2.gz ZTOLCLMNQIESER-UHFFFAOYSA-N -1 1 298.285 2.977 20 0 CFADMM Cc1ccc(/C=C/S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000734975509 574308540 /nfs/dbraw/zinc/30/85/40/574308540.db2.gz KHFIJYZTQFEJJT-PKNBQFBNSA-N -1 1 274.345 2.803 20 0 CFADMM C[C@@H](c1cc(F)ccc1F)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739053093 574331366 /nfs/dbraw/zinc/33/13/66/574331366.db2.gz JIXAHTPIZCMUMY-QWRGUYRKSA-N -1 1 298.333 2.958 20 0 CFADMM C[C@H]1C[C@H]1c1ccc(CNc2cccc(-c3nnn[n-]3)n2)o1 ZINC000736242142 574356337 /nfs/dbraw/zinc/35/63/37/574356337.db2.gz ZEZCPWNRRKXUNH-GXSJLCMTSA-N -1 1 296.334 2.590 20 0 CFADMM C[C@H]1C[C@H]1c1ccc(CNc2cccc(-c3nn[n-]n3)n2)o1 ZINC000736242142 574356339 /nfs/dbraw/zinc/35/63/39/574356339.db2.gz ZEZCPWNRRKXUNH-GXSJLCMTSA-N -1 1 296.334 2.590 20 0 CFADMM C[C@H]1C[C@@H]1c1ccc(CNc2cccc(-c3nnn[n-]3)n2)o1 ZINC000736242155 574356465 /nfs/dbraw/zinc/35/64/65/574356465.db2.gz ZEZCPWNRRKXUNH-ONGXEEELSA-N -1 1 296.334 2.590 20 0 CFADMM C[C@H]1C[C@@H]1c1ccc(CNc2cccc(-c3nn[n-]n3)n2)o1 ZINC000736242155 574356467 /nfs/dbraw/zinc/35/64/67/574356467.db2.gz ZEZCPWNRRKXUNH-ONGXEEELSA-N -1 1 296.334 2.590 20 0 CFADMM C[C@H]1CN(Cc2nc(C(C)(C)C)cs2)C[C@H]1C(=O)[O-] ZINC000251814809 601515278 /nfs/dbraw/zinc/51/52/78/601515278.db2.gz OQPZICSSKBFJEJ-VHSXEESVSA-N -1 1 282.409 2.593 20 0 CFADMM O=C([O-])c1ccc(CN[C@H]2COc3ccccc32)cc1 ZINC000070529822 597245229 /nfs/dbraw/zinc/24/52/29/597245229.db2.gz KPDZFIGUCQQNOE-AWEZNQCLSA-N -1 1 269.300 2.608 20 0 CFADMM Fc1cc(Cl)cc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000822748233 607311916 /nfs/dbraw/zinc/31/19/16/607311916.db2.gz OGCRQHPFFVWWOO-UHFFFAOYSA-N -1 1 293.689 2.864 20 0 CFADMM Fc1cc(Cl)cc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822748233 607311917 /nfs/dbraw/zinc/31/19/17/607311917.db2.gz OGCRQHPFFVWWOO-UHFFFAOYSA-N -1 1 293.689 2.864 20 0 CFADMM O=C([O-])CCCN1CCCC[C@H]1c1nccs1 ZINC000262239464 600227746 /nfs/dbraw/zinc/22/77/46/600227746.db2.gz NSKUNSKGUZEULP-JTQLQIEISA-N -1 1 254.355 2.535 20 0 CFADMM CC[C@H](C)[C@H](C)Nc1[nH+]c(C)cc(C)c1-c1nn[nH]n1 ZINC000095274581 607326160 /nfs/dbraw/zinc/32/61/60/607326160.db2.gz KXCYXBADMCCRMV-KWQFWETISA-N -1 1 274.372 2.725 20 0 CFADMM O=C([O-])c1cccc(CN[C@H]2COc3ccccc32)c1 ZINC000236490622 598192344 /nfs/dbraw/zinc/19/23/44/598192344.db2.gz MDQQDDBXMYIYMF-AWEZNQCLSA-N -1 1 269.300 2.608 20 0 CFADMM c1cc(NCCC2=CCCCC2)nc(-c2nnn[n-]2)c1 ZINC000095147407 599392429 /nfs/dbraw/zinc/39/24/29/599392429.db2.gz AEUBXTLWOAZFHB-UHFFFAOYSA-N -1 1 270.340 2.564 20 0 CFADMM c1cc(NCCC2=CCCCC2)nc(-c2nn[n-]n2)c1 ZINC000095147407 599392431 /nfs/dbraw/zinc/39/24/31/599392431.db2.gz AEUBXTLWOAZFHB-UHFFFAOYSA-N -1 1 270.340 2.564 20 0 CFADMM CC[C@@H]1CCCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000095263982 599406005 /nfs/dbraw/zinc/40/60/05/599406005.db2.gz NILLJKBHAXXKDS-GHMZBOCLSA-N -1 1 272.356 2.642 20 0 CFADMM CC[C@@H]1CCCC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000095263982 599406007 /nfs/dbraw/zinc/40/60/07/599406007.db2.gz NILLJKBHAXXKDS-GHMZBOCLSA-N -1 1 272.356 2.642 20 0 CFADMM CCCOc1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821138768 599439329 /nfs/dbraw/zinc/43/93/29/599439329.db2.gz GZRCMQDJQYWVKP-UHFFFAOYSA-N -1 1 299.334 2.861 20 0 CFADMM CCCOc1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000821138768 599439331 /nfs/dbraw/zinc/43/93/31/599439331.db2.gz GZRCMQDJQYWVKP-UHFFFAOYSA-N -1 1 299.334 2.861 20 0 CFADMM O=C([O-])c1cc(F)ccc1CSc1nc(C2CC2)n[nH]1 ZINC000713500371 600058547 /nfs/dbraw/zinc/05/85/47/600058547.db2.gz VTIBUQVSDCTZHA-UHFFFAOYSA-N -1 1 293.323 2.812 20 0 CFADMM O=C([O-])c1cc(F)ccc1CSc1n[nH]c(C2CC2)n1 ZINC000713500371 600058549 /nfs/dbraw/zinc/05/85/49/600058549.db2.gz VTIBUQVSDCTZHA-UHFFFAOYSA-N -1 1 293.323 2.812 20 0 CFADMM CSc1ccc(Oc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000095307680 607894551 /nfs/dbraw/zinc/89/45/51/607894551.db2.gz LEFAMIIGEJIXNE-UHFFFAOYSA-N -1 1 285.332 2.776 20 0 CFADMM CSc1ccc(Oc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000095307680 607894552 /nfs/dbraw/zinc/89/45/52/607894552.db2.gz LEFAMIIGEJIXNE-UHFFFAOYSA-N -1 1 285.332 2.776 20 0 CFADMM CC(C)CN(CCC(=O)[O-])C/C(Cl)=C\Cl ZINC000826875655 601054632 /nfs/dbraw/zinc/05/46/32/601054632.db2.gz GOXFVRUHJXJOEO-WEVVVXLNSA-N -1 1 254.157 2.738 20 0 CFADMM Cc1ccc(N(C)Cc2ccnc(-c3nnn[n-]3)c2)cc1C ZINC000826289874 607487009 /nfs/dbraw/zinc/48/70/09/607487009.db2.gz PZXBBLSBDIBGKD-UHFFFAOYSA-N -1 1 294.362 2.515 20 0 CFADMM Cc1ccc(N(C)Cc2ccnc(-c3nn[n-]n3)c2)cc1C ZINC000826289874 607487010 /nfs/dbraw/zinc/48/70/10/607487010.db2.gz PZXBBLSBDIBGKD-UHFFFAOYSA-N -1 1 294.362 2.515 20 0 CFADMM CC(C)[C@@H]1C[C@H](C(=O)Nc2nc(Cl)ccc2[O-])CCO1 ZINC000935597459 649920626 /nfs/dbraw/zinc/92/06/26/649920626.db2.gz FHQPKMKOYHDKBQ-KOLCDFICSA-N -1 1 298.770 2.830 20 0 CFADMM CC1(C(=O)Nc2nc(Cl)ccc2[O-])CC=CC1 ZINC000935598294 649920798 /nfs/dbraw/zinc/92/07/98/649920798.db2.gz OQVYYHYLUFCTKK-UHFFFAOYSA-N -1 1 252.701 2.735 20 0 CFADMM CC[C@H](c1ccc(F)cc1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000829021755 601448747 /nfs/dbraw/zinc/44/87/47/601448747.db2.gz XUHKRFKAQKJOEQ-OCCSQVGLSA-N -1 1 269.291 2.775 20 0 CFADMM CCN(Cc1ccnc(-c2nnn[n-]2)c1)c1cccc(C)c1 ZINC000825439853 607516329 /nfs/dbraw/zinc/51/63/29/607516329.db2.gz QQVHSHYAJFIIAP-UHFFFAOYSA-N -1 1 294.362 2.597 20 0 CFADMM CCN(Cc1ccnc(-c2nn[n-]n2)c1)c1cccc(C)c1 ZINC000825439853 607516330 /nfs/dbraw/zinc/51/63/30/607516330.db2.gz QQVHSHYAJFIIAP-UHFFFAOYSA-N -1 1 294.362 2.597 20 0 CFADMM CC(C)(C)c1noc(CNC2(CC(=O)[O-])CCCCC2)n1 ZINC000826527995 601882510 /nfs/dbraw/zinc/88/25/10/601882510.db2.gz BPNRMKKTXYHNSU-UHFFFAOYSA-N -1 1 295.383 2.634 20 0 CFADMM C[C@H](C(=O)Nc1cc(C(=O)[O-])cs1)N1CCCCCC1 ZINC000826013265 602179841 /nfs/dbraw/zinc/17/98/41/602179841.db2.gz LKSPJXXZPYDMMK-SNVBAGLBSA-N -1 1 296.392 2.649 20 0 CFADMM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1cccc(O)c1 ZINC000825503234 603549062 /nfs/dbraw/zinc/54/90/62/603549062.db2.gz QCIVXBODSANTRU-SNVBAGLBSA-N -1 1 287.319 2.728 20 0 CFADMM C[C@@H](c1ccccc1F)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825639347 603811423 /nfs/dbraw/zinc/81/14/23/603811423.db2.gz SCRPTAQQKBKSBT-QWRGUYRKSA-N -1 1 266.316 2.571 20 0 CFADMM CCc1noc(C)c1CN(C)CC[C@H](NC(=O)[O-])C(C)C ZINC000827663462 603906675 /nfs/dbraw/zinc/90/66/75/603906675.db2.gz NAJBYBRFDJBURX-AWEZNQCLSA-N -1 1 297.399 2.660 20 0 CFADMM C[C@H]1CCC[C@H](CNC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900347628 620665625 /nfs/dbraw/zinc/66/56/25/620665625.db2.gz YMONUPBJISUPKM-QWRGUYRKSA-N -1 1 289.379 2.616 20 0 CFADMM CN(Cc1cc(F)ccc1F)C1CCN(C(=O)[O-])CC1 ZINC000828350296 603984915 /nfs/dbraw/zinc/98/49/15/603984915.db2.gz COXFKOBDAOXVDM-UHFFFAOYSA-N -1 1 284.306 2.539 20 0 CFADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000825265090 604217606 /nfs/dbraw/zinc/21/76/06/604217606.db2.gz QCMYPEGQDVMVGY-WDEREUQCSA-N -1 1 298.333 2.833 20 0 CFADMM C[C@H](N[C@@H](CNC(=O)[O-])C1CC1)c1c(F)cccc1F ZINC000825473361 604361206 /nfs/dbraw/zinc/36/12/06/604361206.db2.gz PVUDQRYNDNRTNA-UFBFGSQYSA-N -1 1 284.306 2.662 20 0 CFADMM Cc1ccc(C)c(CN(C)[C@H](COC(C)C)C(=O)[O-])c1 ZINC000832926525 604401037 /nfs/dbraw/zinc/40/10/37/604401037.db2.gz ZPXSTKVAKNAKJN-OAHLLOKOSA-N -1 1 279.380 2.613 20 0 CFADMM O=C([O-])[C@H](c1ccc(F)cc1)N1CCOC2(CCCC2)C1 ZINC000833171267 604495701 /nfs/dbraw/zinc/49/57/01/604495701.db2.gz MQVOOXSASXZPNJ-AWEZNQCLSA-N -1 1 293.338 2.596 20 0 CFADMM O=C([O-])c1cc(CN2CCC[C@H]2c2ccco2)c[nH]1 ZINC000833779456 604641171 /nfs/dbraw/zinc/64/11/71/604641171.db2.gz LFFOFZZROZCVPD-LBPRGKRZSA-N -1 1 260.293 2.643 20 0 CFADMM CC(C)COc1ccc(CN2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000833490399 604682842 /nfs/dbraw/zinc/68/28/42/604682842.db2.gz FDSZNRMBAZMGJM-INIZCTEOSA-N -1 1 295.354 2.720 20 0 CFADMM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(F)cc1F ZINC000827717519 605006340 /nfs/dbraw/zinc/00/63/40/605006340.db2.gz JFXIJRWCEYNPGY-LKFCYVNXSA-N -1 1 292.285 2.836 20 0 CFADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](C(F)(F)F)C1 ZINC000388284182 605054485 /nfs/dbraw/zinc/05/44/85/605054485.db2.gz SEMNFBSVHCISHF-SFYZADRCSA-N -1 1 277.242 2.923 20 0 CFADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C/C(Cl)=C\Cl)C[C@H]21 ZINC000834189558 605433510 /nfs/dbraw/zinc/43/35/10/605433510.db2.gz UWOJVOBYMVLDGD-JZOLDEGWSA-N -1 1 293.194 2.674 20 0 CFADMM O=C([O-])NC1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000834188770 605484124 /nfs/dbraw/zinc/48/41/24/605484124.db2.gz CEYSANLFUQAHDF-UHFFFAOYSA-N -1 1 292.310 2.804 20 0 CFADMM Cc1nc([C@@H](C)NCCN(C(=O)[O-])C2CC2)c(C)s1 ZINC000830709514 605498502 /nfs/dbraw/zinc/49/85/02/605498502.db2.gz KRPSCLBNGUYIOT-MRVPVSSYSA-N -1 1 283.397 2.553 20 0 CFADMM CCc1nc(CN[C@@H](C)C[C@H]2CCCN2C(=O)[O-])cs1 ZINC000827637493 605501546 /nfs/dbraw/zinc/50/15/46/605501546.db2.gz UFQAUKFHFSWQDD-CMPLNLGQSA-N -1 1 297.424 2.716 20 0 CFADMM CCc1ncc(CN2CCC([C@@H](C)NC(=O)[O-])CC2)s1 ZINC000833865696 605586324 /nfs/dbraw/zinc/58/63/24/605586324.db2.gz CNKRKIQZEPAVLL-SNVBAGLBSA-N -1 1 297.424 2.574 20 0 CFADMM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833603538 605730960 /nfs/dbraw/zinc/73/09/60/605730960.db2.gz BNMCEZSMLWGPJL-WPRPVWTQSA-N -1 1 290.285 2.876 20 0 CFADMM O=C([O-])Nc1cccc(CN2CCO[C@H]3CCCC[C@H]32)c1 ZINC000834269097 605788375 /nfs/dbraw/zinc/78/83/75/605788375.db2.gz OTZNMSXJRHDDNE-CABCVRRESA-N -1 1 290.363 2.920 20 0 CFADMM O=C([O-])N[C@@H]1C[C@@H](NCc2ccoc2)c2ccccc21 ZINC000834157762 605794805 /nfs/dbraw/zinc/79/48/05/605794805.db2.gz JVRFNNWDXCJVTI-ZIAGYGMSSA-N -1 1 272.304 2.823 20 0 CFADMM O=C([O-])N[C@@H](CNCc1c(F)cccc1Cl)C1CC1 ZINC000834149441 605826434 /nfs/dbraw/zinc/82/64/34/605826434.db2.gz GHSMVYYBDNNEKN-LBPRGKRZSA-N -1 1 286.734 2.615 20 0 CFADMM CC(C)CO[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000833490253 605837682 /nfs/dbraw/zinc/83/76/82/605837682.db2.gz RFIHVQHYLDHTTI-AWEZNQCLSA-N -1 1 295.354 2.771 20 0 CFADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2c1ccnc2ccccc21 ZINC000834097182 605948011 /nfs/dbraw/zinc/94/80/11/605948011.db2.gz SRFPVEPEHFVSHU-OLZOCXBDSA-N -1 1 297.358 2.956 20 0 CFADMM O=C([O-])N1CC[C@@H](N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000834081085 606009260 /nfs/dbraw/zinc/00/92/60/606009260.db2.gz APWIOPQJTAICGJ-CVEARBPZSA-N -1 1 297.358 2.513 20 0 CFADMM O=C([O-])N1CC[C@H](N[C@H](c2ccccc2)c2ccncc2)C1 ZINC000834081090 606009467 /nfs/dbraw/zinc/00/94/67/606009467.db2.gz APWIOPQJTAICGJ-JKSUJKDBSA-N -1 1 297.358 2.513 20 0 CFADMM CC1(C)CCC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820596517 606105124 /nfs/dbraw/zinc/10/51/24/606105124.db2.gz QJDLZUZEBIJHFM-LURJTMIESA-N -1 1 298.803 2.967 20 0 CFADMM CC1(C)CCC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820596517 606105125 /nfs/dbraw/zinc/10/51/25/606105125.db2.gz QJDLZUZEBIJHFM-LURJTMIESA-N -1 1 298.803 2.967 20 0 CFADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H](C)c1ccccc1 ZINC000820461380 606141701 /nfs/dbraw/zinc/14/17/01/606141701.db2.gz IYWFFZAUUPIMSZ-NWDGAFQWSA-N -1 1 294.362 2.866 20 0 CFADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H](C)c1ccccc1 ZINC000820461380 606141703 /nfs/dbraw/zinc/14/17/03/606141703.db2.gz IYWFFZAUUPIMSZ-NWDGAFQWSA-N -1 1 294.362 2.866 20 0 CFADMM CC(C)(C)[C@H]1CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900577166 620690225 /nfs/dbraw/zinc/69/02/25/620690225.db2.gz KAXIQXCUEIDZAI-GFCCVEGCSA-N -1 1 289.379 2.710 20 0 CFADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2C2CCCCC2)c1 ZINC000823742478 606400338 /nfs/dbraw/zinc/40/03/38/606400338.db2.gz HBMQOPJFZMLVEJ-AWEZNQCLSA-N -1 1 298.394 2.811 20 0 CFADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2C2CCCCC2)c1 ZINC000823742478 606400339 /nfs/dbraw/zinc/40/03/39/606400339.db2.gz HBMQOPJFZMLVEJ-AWEZNQCLSA-N -1 1 298.394 2.811 20 0 CFADMM COc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821835465 606411439 /nfs/dbraw/zinc/41/14/39/606411439.db2.gz LHYOQMZMFCYLAM-UHFFFAOYSA-N -1 1 287.348 2.549 20 0 CFADMM c1cnc(Oc2cccc3c2CCCC3)c(-c2nn[n-]n2)c1 ZINC000823767858 606433188 /nfs/dbraw/zinc/43/31/88/606433188.db2.gz ZGCUOHGRBPVTMO-UHFFFAOYSA-N -1 1 293.330 2.933 20 0 CFADMM Cc1ccccc1[C@H](C)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000822345489 606458953 /nfs/dbraw/zinc/45/89/53/606458953.db2.gz KFZCTPFZLFFRPL-LBPRGKRZSA-N -1 1 294.362 2.768 20 0 CFADMM Cc1ccccc1[C@H](C)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000822345489 606458954 /nfs/dbraw/zinc/45/89/54/606458954.db2.gz KFZCTPFZLFFRPL-LBPRGKRZSA-N -1 1 294.362 2.768 20 0 CFADMM C[C@@H]1CC[C@H](C)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820684527 606470106 /nfs/dbraw/zinc/47/01/06/606470106.db2.gz QZHGCEQDRQLRPV-DTWKUNHWSA-N -1 1 292.774 2.540 20 0 CFADMM C[C@@H]1CC[C@H](C)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820684527 606470108 /nfs/dbraw/zinc/47/01/08/606470108.db2.gz QZHGCEQDRQLRPV-DTWKUNHWSA-N -1 1 292.774 2.540 20 0 CFADMM CC[C@@H]1C[C@@H](C)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820973467 606470642 /nfs/dbraw/zinc/47/06/42/606470642.db2.gz XMOHWVVEWRFKJV-RKDXNWHRSA-N -1 1 292.774 2.540 20 0 CFADMM CC[C@@H]1C[C@@H](C)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820973467 606470644 /nfs/dbraw/zinc/47/06/44/606470644.db2.gz XMOHWVVEWRFKJV-RKDXNWHRSA-N -1 1 292.774 2.540 20 0 CFADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821160635 606495226 /nfs/dbraw/zinc/49/52/26/606495226.db2.gz NSGXSUVXUHHLJK-UHFFFAOYSA-N -1 1 299.359 2.595 20 0 CFADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821160635 606495227 /nfs/dbraw/zinc/49/52/27/606495227.db2.gz NSGXSUVXUHHLJK-UHFFFAOYSA-N -1 1 299.359 2.595 20 0 CFADMM CCC1(CNc2snc(Cl)c2-c2nnn[n-]2)CCC1 ZINC000820967418 606593663 /nfs/dbraw/zinc/59/36/63/606593663.db2.gz OIXXFHHDOMZUET-UHFFFAOYSA-N -1 1 298.803 2.969 20 0 CFADMM CCC1(CNc2snc(Cl)c2-c2nn[n-]n2)CCC1 ZINC000820967418 606593664 /nfs/dbraw/zinc/59/36/64/606593664.db2.gz OIXXFHHDOMZUET-UHFFFAOYSA-N -1 1 298.803 2.969 20 0 CFADMM CCCC[C@@H](CCC)CNc1nccnc1-c1nnn[n-]1 ZINC000821040765 606634126 /nfs/dbraw/zinc/63/41/26/606634126.db2.gz RAXUBYZBONLOJV-LLVKDONJSA-N -1 1 289.387 2.675 20 0 CFADMM CCCC[C@@H](CCC)CNc1nccnc1-c1nn[n-]n1 ZINC000821040765 606634127 /nfs/dbraw/zinc/63/41/27/606634127.db2.gz RAXUBYZBONLOJV-LLVKDONJSA-N -1 1 289.387 2.675 20 0 CFADMM Clc1ccc(NCCC2CCC2)nc1-c1nnn[n-]1 ZINC000822578315 606728145 /nfs/dbraw/zinc/72/81/45/606728145.db2.gz GNKDYBJMZRRWPD-UHFFFAOYSA-N -1 1 278.747 2.517 20 0 CFADMM Clc1ccc(NCCC2CCC2)nc1-c1nn[n-]n1 ZINC000822578315 606728146 /nfs/dbraw/zinc/72/81/46/606728146.db2.gz GNKDYBJMZRRWPD-UHFFFAOYSA-N -1 1 278.747 2.517 20 0 CFADMM C[C@H]1C[C@H](C)N(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000820657945 606799301 /nfs/dbraw/zinc/79/93/01/606799301.db2.gz NPPIILXMLNBAJH-QWRGUYRKSA-N -1 1 294.362 2.650 20 0 CFADMM C[C@H]1C[C@H](C)N(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000820657945 606799302 /nfs/dbraw/zinc/79/93/02/606799302.db2.gz NPPIILXMLNBAJH-QWRGUYRKSA-N -1 1 294.362 2.650 20 0 CFADMM CCCCN(c1ccc(Cl)c(-c2nnn[n-]2)n1)C1CC1 ZINC000821065535 606834253 /nfs/dbraw/zinc/83/42/53/606834253.db2.gz KJGAKQDRXPKJQG-UHFFFAOYSA-N -1 1 292.774 2.684 20 0 CFADMM CCCCN(c1ccc(Cl)c(-c2nn[n-]n2)n1)C1CC1 ZINC000821065535 606834255 /nfs/dbraw/zinc/83/42/55/606834255.db2.gz KJGAKQDRXPKJQG-UHFFFAOYSA-N -1 1 292.774 2.684 20 0 CFADMM c1cc(-c2nnn[n-]2)nc(N(CC2CCCCC2)C2CC2)c1 ZINC000826514589 607897758 /nfs/dbraw/zinc/89/77/58/607897758.db2.gz WGXQZYOBPJKXSI-UHFFFAOYSA-N -1 1 298.394 2.811 20 0 CFADMM c1cc(-c2nn[n-]n2)nc(N(CC2CCCCC2)C2CC2)c1 ZINC000826514589 607897759 /nfs/dbraw/zinc/89/77/59/607897759.db2.gz WGXQZYOBPJKXSI-UHFFFAOYSA-N -1 1 298.394 2.811 20 0 CFADMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@H]2CCCC[C@@H]12 ZINC000824962496 607901342 /nfs/dbraw/zinc/90/13/42/607901342.db2.gz UOFYVHFEJBRRGB-DYEKYZERSA-N -1 1 298.394 2.667 20 0 CFADMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@H]2CCCC[C@@H]12 ZINC000824962496 607901343 /nfs/dbraw/zinc/90/13/43/607901343.db2.gz UOFYVHFEJBRRGB-DYEKYZERSA-N -1 1 298.394 2.667 20 0 CFADMM Clc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000826352953 608101211 /nfs/dbraw/zinc/10/12/11/608101211.db2.gz VFJHCVNGLAMVQH-UHFFFAOYSA-N -1 1 275.699 2.725 20 0 CFADMM Clc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000826352953 608101210 /nfs/dbraw/zinc/10/12/10/608101210.db2.gz VFJHCVNGLAMVQH-UHFFFAOYSA-N -1 1 275.699 2.725 20 0 CFADMM CCC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000825242716 608389666 /nfs/dbraw/zinc/38/96/66/608389666.db2.gz ZFYQGMTZBWNBML-LBPRGKRZSA-N -1 1 295.350 2.610 20 0 CFADMM CCC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000825242716 608389668 /nfs/dbraw/zinc/38/96/68/608389668.db2.gz ZFYQGMTZBWNBML-LBPRGKRZSA-N -1 1 295.350 2.610 20 0 CFADMM Cc1cccc(N(C)Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000826298587 609201203 /nfs/dbraw/zinc/20/12/03/609201203.db2.gz ABPOHEUGJQQSAO-UHFFFAOYSA-N -1 1 285.376 2.873 20 0 CFADMM Cc1cccc2c1N(Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC000826305267 609207728 /nfs/dbraw/zinc/20/77/28/609207728.db2.gz QIPHEVKOPCRWHE-UHFFFAOYSA-N -1 1 297.387 2.799 20 0 CFADMM CC[C@H](Nc1cc(=O)[n-]c(COC)n1)c1ccccc1 ZINC000892100003 617949071 /nfs/dbraw/zinc/94/90/71/617949071.db2.gz AFCLUMWIUIXBNJ-LBPRGKRZSA-N -1 1 273.336 2.892 20 0 CFADMM CC[C@H](C)CN(CC)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900946812 620731029 /nfs/dbraw/zinc/73/10/29/620731029.db2.gz TXGLDQMUZPHXMY-JTQLQIEISA-N -1 1 277.368 2.568 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CCCC(F)(F)C1 ZINC000846361355 618100658 /nfs/dbraw/zinc/10/06/58/618100658.db2.gz VXMBHUAECSYLIG-UHFFFAOYSA-N -1 1 275.682 2.917 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CC(Cc2ccoc2)C1 ZINC000890572136 617663965 /nfs/dbraw/zinc/66/39/65/617663965.db2.gz UZXSVYNFIOYHLD-UHFFFAOYSA-N -1 1 291.734 2.953 20 0 CFADMM Cc1ccc(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC000891626038 617689960 /nfs/dbraw/zinc/68/99/60/617689960.db2.gz BLCJHLUTAWFWRZ-UHFFFAOYSA-N -1 1 297.358 2.551 20 0 CFADMM COCc1nc(N2CCC[C@H]2Cc2ccccc2)cc(=O)[n-]1 ZINC000891677387 617705671 /nfs/dbraw/zinc/70/56/71/617705671.db2.gz TUQWJELFOVHGHX-AWEZNQCLSA-N -1 1 299.374 2.540 20 0 CFADMM O=C(N[C@@H](c1ccncc1)C1CC1)c1cc(F)ccc1[O-] ZINC000890914472 617945376 /nfs/dbraw/zinc/94/53/76/617945376.db2.gz VYACBHAJIKHNND-OAHLLOKOSA-N -1 1 286.306 2.807 20 0 CFADMM O=C(N[C@H](c1ccncc1)C1CC1)c1cc(F)ccc1[O-] ZINC000890914471 617945462 /nfs/dbraw/zinc/94/54/62/617945462.db2.gz VYACBHAJIKHNND-HNNXBMFYSA-N -1 1 286.306 2.807 20 0 CFADMM O=C(Nc1ccc(Cl)cc1[O-])c1nnc(C2CC2)o1 ZINC000901221860 620772887 /nfs/dbraw/zinc/77/28/87/620772887.db2.gz OQLKZDRHJGAKPN-UHFFFAOYSA-N -1 1 279.683 2.558 20 0 CFADMM CCc1ccccc1CNCc1cccc(C(=O)[O-])n1 ZINC000234122711 618005868 /nfs/dbraw/zinc/00/58/68/618005868.db2.gz NHEJSQRJPUHRQV-UHFFFAOYSA-N -1 1 270.332 2.632 20 0 CFADMM C[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(F)F ZINC000894049852 618290123 /nfs/dbraw/zinc/29/01/23/618290123.db2.gz JAHQPAOFXQBVCF-ZCFIWIBFSA-N -1 1 267.197 2.687 20 0 CFADMM CCc1nc([C@H](C)Nc2cc(=O)[n-]c(COC)n2)cs1 ZINC000892469792 618313845 /nfs/dbraw/zinc/31/38/45/618313845.db2.gz GAHPEPSVFPQUER-QMMMGPOBSA-N -1 1 294.380 2.521 20 0 CFADMM Cc1oc(CN[C@H](C)CC(F)(F)F)cc1C(=O)[O-] ZINC000235453390 618324206 /nfs/dbraw/zinc/32/42/06/618324206.db2.gz JXUCPNAJHKSHPV-ZCFIWIBFSA-N -1 1 265.231 2.717 20 0 CFADMM CSCCO[N-]C(=O)[C@@H](C)c1cccc(C)c1 ZINC000794190119 618332742 /nfs/dbraw/zinc/33/27/42/618332742.db2.gz QYOOIEJVNTUEJA-NSHDSACASA-N -1 1 253.367 2.509 20 0 CFADMM C[C@@H]1CCC[C@H](NC(=O)c2nnc3ccccc3c2O)[C@H]1C ZINC000253542024 618402393 /nfs/dbraw/zinc/40/23/93/618402393.db2.gz PGLMEBOZESLIDQ-MDZLAQPJSA-N -1 1 299.374 2.890 20 0 CFADMM CC(C)(C)OCCCNC(=O)c1c([O-])cccc1Cl ZINC000855705277 618409548 /nfs/dbraw/zinc/40/95/48/618409548.db2.gz MEBVGJSOAHGVQT-UHFFFAOYSA-N -1 1 285.771 2.981 20 0 CFADMM CC(C)(C)OC1CCN(Cc2cccc(C(=O)[O-])n2)CC1 ZINC000901426509 620815627 /nfs/dbraw/zinc/81/56/27/620815627.db2.gz KETMOWTULHEFFG-UHFFFAOYSA-N -1 1 292.379 2.559 20 0 CFADMM CC(C)(C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895452454 618595079 /nfs/dbraw/zinc/59/50/79/618595079.db2.gz NKTWFWQVMLRVGY-UHFFFAOYSA-N -1 1 259.305 2.779 20 0 CFADMM O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(O)cc1[O-] ZINC000319066775 618619762 /nfs/dbraw/zinc/61/97/62/618619762.db2.gz OVDWTCLBLQEWNZ-UHFFFAOYSA-N -1 1 298.342 2.950 20 0 CFADMM C[C@@H](CC(=O)NCc1n[n-]c(=S)n1C)C1CCCCC1 ZINC000066625494 618629268 /nfs/dbraw/zinc/62/92/68/618629268.db2.gz LILQHQRYBLTZLP-JTQLQIEISA-N -1 1 296.440 2.700 20 0 CFADMM CCn1c(CNC(=O)C[C@@H](C)CC(C)C)n[n-]c1=S ZINC000066636933 618633747 /nfs/dbraw/zinc/63/37/47/618633747.db2.gz DLRFDEOLCDEVMG-JTQLQIEISA-N -1 1 284.429 2.649 20 0 CFADMM CC=CC=CC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744491150 618685566 /nfs/dbraw/zinc/68/55/66/618685566.db2.gz XTIQIXTXGQHYQC-VNKDHWASSA-N -1 1 274.316 2.813 20 0 CFADMM CCCCCN1CC(=O)N[C@H]1c1cc(Cl)ccc1[O-] ZINC000182336170 625286960 /nfs/dbraw/zinc/28/69/60/625286960.db2.gz KJFBBQIUDLVMBJ-CQSZACIVSA-N -1 1 282.771 2.666 20 0 CFADMM COCc1nc(NC[C@@H](SC)C(C)(C)C)cc(=O)[n-]1 ZINC000893132535 618842347 /nfs/dbraw/zinc/84/23/47/618842347.db2.gz QBFGZFRCYGXKDL-SECBINFHSA-N -1 1 285.413 2.518 20 0 CFADMM CN(CCC1CC1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000162850167 619066132 /nfs/dbraw/zinc/06/61/32/619066132.db2.gz ANHXUYFKWLJIIR-UHFFFAOYSA-N -1 1 289.408 2.692 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H]1C1CCCC1 ZINC000889405548 619179707 /nfs/dbraw/zinc/17/97/07/619179707.db2.gz RXPZYDTULIHKKU-CQSZACIVSA-N -1 1 263.312 2.936 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)C2CC2)c1 ZINC000748152536 619347991 /nfs/dbraw/zinc/34/79/91/619347991.db2.gz XQPHZBSJQQKSRO-JTQLQIEISA-N -1 1 276.332 2.727 20 0 CFADMM O=C1[N-]C(=S)SC1=Cc1ccc2c(c1)CCO2 ZINC000048625073 619363061 /nfs/dbraw/zinc/36/30/61/619363061.db2.gz DMARRXYRWLAEFB-POHAHGRESA-N -1 1 263.343 2.951 20 0 CFADMM CC(C)N(Cc1cc(C(=O)[O-])no1)Cc1ccccc1 ZINC000048805402 619472798 /nfs/dbraw/zinc/47/27/98/619472798.db2.gz WXZGODMCKQSKEI-UHFFFAOYSA-N -1 1 274.320 2.783 20 0 CFADMM C/C=C\C[C@H]1CCCN(c2cc(=O)[n-]c(COC)n2)C1 ZINC000894829780 619475906 /nfs/dbraw/zinc/47/59/06/619475906.db2.gz ARDAQMWORVEZFE-MVZIDQBPSA-N -1 1 277.368 2.511 20 0 CFADMM CC(C)OCCCNC(=O)c1c([O-])cccc1Cl ZINC000049087858 619521443 /nfs/dbraw/zinc/52/14/43/619521443.db2.gz DIBTUGGRRWYEGH-UHFFFAOYSA-N -1 1 271.744 2.591 20 0 CFADMM CC(C)(C)c1nnc([N-][C@@H](c2ncccn2)C2CC2)o1 ZINC000895774742 619603721 /nfs/dbraw/zinc/60/37/21/619603721.db2.gz IUHRUIDNFUQPSW-SNVBAGLBSA-N -1 1 273.340 2.720 20 0 CFADMM CN(CC1CC1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895786285 619606531 /nfs/dbraw/zinc/60/65/31/619606531.db2.gz QTRQAZWJWPKQLM-UHFFFAOYSA-N -1 1 271.316 2.733 20 0 CFADMM CC(C)OC1CN(Cc2cccc([O-])c2Cl)C1 ZINC000895954826 619643913 /nfs/dbraw/zinc/64/39/13/619643913.db2.gz IIVWFKPGJRNTGZ-UHFFFAOYSA-N -1 1 255.745 2.655 20 0 CFADMM O=C([N-][C@@H]1CCCc2ccccc2C1)C(F)(F)F 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CFADMM CCC[C@@H](C)C[C@H](NCc1cc(C)co1)C(=O)[O-] ZINC000904005135 621505259 /nfs/dbraw/zinc/50/52/59/621505259.db2.gz PETNVUVMYUQXOF-MFKMUULPSA-N -1 1 253.342 2.957 20 0 CFADMM CC(C)(C)CC[C@@](C)(NCc1ccc(CO)o1)C(=O)[O-] ZINC000904011084 621506597 /nfs/dbraw/zinc/50/65/97/621506597.db2.gz XUYLPQNHWFPBEE-OAHLLOKOSA-N -1 1 283.368 2.531 20 0 CFADMM CCc1ccccc1[C@H](CC(=O)[O-])NCc1n[nH]cc1C ZINC000904031526 621508131 /nfs/dbraw/zinc/50/81/31/621508131.db2.gz IBRKONGTYWBJSK-AWEZNQCLSA-N -1 1 287.363 2.586 20 0 CFADMM Cc1ccc(CN[C@@H](CCCC(C)C)C(=O)[O-])o1 ZINC000904037692 621509812 /nfs/dbraw/zinc/50/98/12/621509812.db2.gz ACRCKLCCCRDLSK-ZDUSSCGKSA-N -1 1 253.342 2.957 20 0 CFADMM CC[C@@H](NCc1sccc1C)c1nc(C(=O)[O-])c[nH]1 ZINC000904063847 621514140 /nfs/dbraw/zinc/51/41/40/621514140.db2.gz DCWHFSDXHXEEFJ-SECBINFHSA-N -1 1 279.365 2.719 20 0 CFADMM CC[C@@H](NCc1cccc(C)c1C)c1nc(C(=O)[O-])c[nH]1 ZINC000904063933 621514247 /nfs/dbraw/zinc/51/42/47/621514247.db2.gz GQEPBGWFJLKXKV-CYBMUJFWSA-N -1 1 287.363 2.966 20 0 CFADMM O=C([O-])N[C@@H]1C[C@H](Nc2cc3c(cn2)CCC3)C12CCC2 ZINC000904242357 621558760 /nfs/dbraw/zinc/55/87/60/621558760.db2.gz KMEXRAVACJAIJC-QWHCGFSZSA-N -1 1 287.363 2.561 20 0 CFADMM CC[C@@H](C)CO[N-]C(=O)Cc1cc2ccccc2c(=O)[nH]1 ZINC000832740538 625504291 /nfs/dbraw/zinc/50/42/91/625504291.db2.gz WGXHXCGLBHHBAC-LLVKDONJSA-N -1 1 288.347 2.577 20 0 CFADMM CCOCc1ccccc1CNCc1ccc(C(=O)[O-])o1 ZINC000071396024 625511819 /nfs/dbraw/zinc/51/18/19/625511819.db2.gz GGRJSDMCEFGEIA-UHFFFAOYSA-N -1 1 289.331 2.804 20 0 CFADMM COc1cnc(C=Cc2nc3c(s2)CCCC3)[n-]c1=O ZINC000905076830 621699251 /nfs/dbraw/zinc/69/92/51/621699251.db2.gz LLAMCWSJMBRQTA-SREVYHEPSA-N -1 1 289.360 2.697 20 0 CFADMM COc1cccc2c1CC[C@H]2NCc1ccc(C(=O)[O-])cn1 ZINC000905724468 621834122 /nfs/dbraw/zinc/83/41/22/621834122.db2.gz KRJRDMRHRILNKF-OAHLLOKOSA-N -1 1 298.342 2.566 20 0 CFADMM C[C@H]1Cc2cc(CNCc3ccc(C(=O)[O-])o3)ccc2O1 ZINC000905730215 621837978 /nfs/dbraw/zinc/83/79/78/621837978.db2.gz 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Cc1ccn([C@@H](C)CC(=O)Nc2cc(F)cc(F)c2[O-])n1 ZINC000910986770 622495452 /nfs/dbraw/zinc/49/54/52/622495452.db2.gz MXUFZUUBRNYJTM-VIFPVBQESA-N -1 1 295.289 2.765 20 0 CFADMM C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910990102 622496064 /nfs/dbraw/zinc/49/60/64/622496064.db2.gz JHFNXPOGNNCJTC-YUMQZZPRSA-N -1 1 283.274 2.614 20 0 CFADMM CCC1(C(=O)[N-]O[C@H]2CCCCO2)CCCCC1 ZINC000184144409 625575003 /nfs/dbraw/zinc/57/50/03/625575003.db2.gz LOVKLSRPPDXOQA-LBPRGKRZSA-N -1 1 255.358 2.921 20 0 CFADMM CCC(CC)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000819947211 622579391 /nfs/dbraw/zinc/57/93/91/622579391.db2.gz ZGZUSXLSHMBQSK-UHFFFAOYSA-N -1 1 262.309 2.827 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC000820407737 622664684 /nfs/dbraw/zinc/66/46/84/622664684.db2.gz QSCNNGLYSMUNHF-OLZOCXBDSA-N -1 1 285.347 2.631 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])[C@@H]1C ZINC000820650117 622725676 /nfs/dbraw/zinc/72/56/76/622725676.db2.gz LHPDPHDTKMEVGB-GHMZBOCLSA-N -1 1 299.326 2.945 20 0 CFADMM C[C@H]1CN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])[C@H]1C ZINC000820650119 622725941 /nfs/dbraw/zinc/72/59/41/622725941.db2.gz LHPDPHDTKMEVGB-QWRGUYRKSA-N -1 1 299.326 2.945 20 0 CFADMM CCC(F)(F)C(=O)Nc1nc(Br)ccc1[O-] ZINC000834298740 625594291 /nfs/dbraw/zinc/59/42/91/625594291.db2.gz ZCWJKVUQEGDCKV-UHFFFAOYSA-N -1 1 295.083 2.534 20 0 CFADMM Cc1ccccc1N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000912830251 622783706 /nfs/dbraw/zinc/78/37/06/622783706.db2.gz NHYRCLYPIBJDLZ-UHFFFAOYSA-N -1 1 283.331 2.645 20 0 CFADMM CO[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])C1CCCC1 ZINC000834298706 625594591 /nfs/dbraw/zinc/59/45/91/625594591.db2.gz XNKXFYITRRVTFR-LLVKDONJSA-N -1 1 284.743 2.584 20 0 CFADMM CCc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)cc1 ZINC000821007329 622818483 /nfs/dbraw/zinc/81/84/83/622818483.db2.gz GTUJTROSVGJXNM-CMDGGOBGSA-N -1 1 256.305 2.924 20 0 CFADMM COc1cnc(C=Cc2ccc(C)cc2C)[n-]c1=O ZINC000821013227 622821377 /nfs/dbraw/zinc/82/13/77/622821377.db2.gz 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CFADMM CSCC[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000134231447 646308735 /nfs/dbraw/zinc/30/87/35/646308735.db2.gz QLISUXDECPNYDW-QMMMGPOBSA-N -1 1 273.785 2.917 20 0 CFADMM CSCC[C@@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000134296471 646323514 /nfs/dbraw/zinc/32/35/14/646323514.db2.gz JHZAMTPDESOFRA-MRVPVSSYSA-N -1 1 273.785 2.917 20 0 CFADMM Cc1ccccc1OCCCC(=O)[N-]OCC(F)(F)F ZINC000135203243 646492189 /nfs/dbraw/zinc/49/21/89/646492189.db2.gz BOGBEMCENKRRLJ-UHFFFAOYSA-N -1 1 291.269 2.764 20 0 CFADMM O=C(CCCc1cccs1)[N-]OCC(F)(F)F ZINC000135216159 646493162 /nfs/dbraw/zinc/49/31/62/646493162.db2.gz WKOXHUHVLIXEFU-UHFFFAOYSA-N -1 1 267.272 2.681 20 0 CFADMM COc1ccc(Cl)cc1CC(=O)[N-]OCC(F)(F)F ZINC000135218418 646494494 /nfs/dbraw/zinc/49/44/94/646494494.db2.gz IJZSQROQFZOLHR-UHFFFAOYSA-N -1 1 297.660 2.501 20 0 CFADMM O=S(=O)([N-][C@H](c1ccccc1)C1CC1)c1ccns1 ZINC000884902202 646566704 /nfs/dbraw/zinc/56/67/04/646566704.db2.gz SBRABADOPAAFGR-CYBMUJFWSA-N -1 1 294.401 2.573 20 0 CFADMM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2ccns2)cc1 ZINC000885020016 646580907 /nfs/dbraw/zinc/58/09/07/646580907.db2.gz CZSCCUGATPPPFM-LLVKDONJSA-N -1 1 296.417 2.534 20 0 CFADMM COC[C@H](C)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676862 646734832 /nfs/dbraw/zinc/73/48/32/646734832.db2.gz UOPPXCNDEICBHE-SSDOTTSWSA-N -1 1 275.707 2.796 20 0 CFADMM O=C(CC[C@@H]1CCOC1)Nc1cc(F)c([O-])cc1Cl ZINC000885676130 646735017 /nfs/dbraw/zinc/73/50/17/646735017.db2.gz JMVZSYGBPKLCPS-MRVPVSSYSA-N -1 1 287.718 2.940 20 0 CFADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CCCCO1 ZINC000885676308 646735107 /nfs/dbraw/zinc/73/51/07/646735107.db2.gz MKGNJILCXCVISE-LLVKDONJSA-N -1 1 273.691 2.692 20 0 CFADMM O=C(CCC1(O)CCC1)Nc1cc(F)c([O-])cc1Cl ZINC000885677897 646736078 /nfs/dbraw/zinc/73/60/78/646736078.db2.gz CFLCMTYMKFDIGY-UHFFFAOYSA-N -1 1 287.718 2.818 20 0 CFADMM CC1(C(=O)NCCc2c(F)cc([O-])cc2F)CCCC1 ZINC000886264612 646939503 /nfs/dbraw/zinc/93/95/03/646939503.db2.gz DPHVQJAKGZBZBW-UHFFFAOYSA-N -1 1 283.318 2.909 20 0 CFADMM O=C(NCCc1c(F)cc([O-])cc1F)[C@@H]1CC12CCC2 ZINC000886266443 646940821 /nfs/dbraw/zinc/94/08/21/646940821.db2.gz MIBJXLMLUAFTDK-NSHDSACASA-N -1 1 281.302 2.519 20 0 CFADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886269681 646942093 /nfs/dbraw/zinc/94/20/93/646942093.db2.gz CWHSNMXPBCNLSD-GHORINQJSA-N -1 1 295.329 2.621 20 0 CFADMM CC[C@@H](NCc1n[nH]c(=O)[n-]1)c1cccc2ccccc21 ZINC000886919216 647174755 /nfs/dbraw/zinc/17/47/55/647174755.db2.gz DTUHHDFMFMRYBD-CQSZACIVSA-N -1 1 282.347 2.904 20 0 CFADMM O=C(N[C@]12C[C@H]1CCC2)c1c([O-])cccc1Cl ZINC000887036007 647194546 /nfs/dbraw/zinc/19/45/46/647194546.db2.gz GGQJKZHGNJGCFU-AMIZOPFISA-N -1 1 251.713 2.718 20 0 CFADMM CCc1c(C)[n-]n([C@@H]2CC(C)(C)OC2(C)C)c1=O ZINC000887296405 647262438 /nfs/dbraw/zinc/26/24/38/647262438.db2.gz BFGPFKDYKSNSEV-WDEREUQCSA-N -1 1 252.358 2.577 20 0 CFADMM CCCc1c(C)[n-]n([C@@H]2CC(C)(C)OC2(C)C)c1=O ZINC000887296509 647262863 /nfs/dbraw/zinc/26/28/63/647262863.db2.gz 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/nfs/dbraw/zinc/28/88/51/782288851.db2.gz PJQKWMRUCMKZDZ-UHFFFAOYSA-N -1 1 297.763 2.901 20 0 CFADMM O=C([O-])c1c(F)cc(Nc2ccncc2)cc1F ZINC000305978994 770547331 /nfs/dbraw/zinc/54/73/31/770547331.db2.gz RMUUXPBASQJOTJ-UHFFFAOYSA-N -1 1 250.204 2.802 20 0 CFADMM C[C@@H](Cc1ccccc1)OCCCC[P@](=O)([O-])O ZINC001225019947 778814957 /nfs/dbraw/zinc/81/49/57/778814957.db2.gz CVRIOKDEZCSOLT-LBPRGKRZSA-N -1 1 272.281 2.592 20 0 CFADMM C[C@H]1CCCC[C@@H]1OCCCC[P@](=O)([O-])O ZINC001225019060 778815449 /nfs/dbraw/zinc/81/54/49/778815449.db2.gz PWKKYUUMPIVOET-QWRGUYRKSA-N -1 1 250.275 2.540 20 0 CFADMM CC[C@@H](OCCCC[P@](=O)([O-])O)C(C)(C)C ZINC001225019088 778815645 /nfs/dbraw/zinc/81/56/45/778815645.db2.gz QVNGLPDCXYDAMP-SNVBAGLBSA-N -1 1 252.291 2.786 20 0 CFADMM O=S(=O)(Cc1ccccc1F)[N-]c1ccc(F)cc1O ZINC000396449234 769823420 /nfs/dbraw/zinc/82/34/20/769823420.db2.gz BZEDHGSSMZEUHB-UHFFFAOYSA-N -1 1 299.298 2.612 20 0 CFADMM O=C([O-])c1ccc(CNCc2cccc3c2OCC3)s1 ZINC000692950251 769877483 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775339465 /nfs/dbraw/zinc/33/94/65/775339465.db2.gz PWKKYUUMPIVOET-WDEREUQCSA-N -1 1 250.275 2.540 20 0 CFADMM CC(=O)c1ccc([O-])cc1OC[C@@H]1CCCCO1 ZINC001225617599 775524543 /nfs/dbraw/zinc/52/45/43/775524543.db2.gz YAZNZUZOYVVGTL-LBPRGKRZSA-N -1 1 250.294 2.543 20 0 CFADMM CCCCOC(=O)[C@H](C)Oc1cc([O-])ccc1C(C)=O ZINC001225616104 775524744 /nfs/dbraw/zinc/52/47/44/775524744.db2.gz GGZQPPHSDDBAHJ-NSHDSACASA-N -1 1 280.320 2.705 20 0 CFADMM CC(=O)c1ccc([O-])cc1O[C@H](C)C1CCOCC1 ZINC001225616260 775525280 /nfs/dbraw/zinc/52/52/80/775525280.db2.gz HEZXNTSEZQSYPG-LLVKDONJSA-N -1 1 264.321 2.789 20 0 CFADMM COC(=O)[C@@H]1C[C@H](Oc2cc([O-])ccc2C(C)=O)C1(C)C ZINC001225618659 775526916 /nfs/dbraw/zinc/52/69/16/775526916.db2.gz HVEVBNIJUVDOLA-JSGCOSHPSA-N -1 1 292.331 2.561 20 0 CFADMM CC(=O)c1c(O)cc([O-])cc1OC1Cc2ccccc2C1 ZINC001225677106 775553596 /nfs/dbraw/zinc/55/35/96/775553596.db2.gz NJUKHGKRBMFJTC-UHFFFAOYSA-N -1 1 284.311 2.847 20 0 CFADMM O=c1cc(O[C@@H]2CCC(=O)c3ccccc32)[nH]c(=S)[n-]1 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778149001 /nfs/dbraw/zinc/14/90/01/778149001.db2.gz NOLAYQTZYXHYRR-UHFFFAOYSA-N -1 1 262.309 2.917 20 0 CFADMM CCC(CC)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234039325 778149004 /nfs/dbraw/zinc/14/90/04/778149004.db2.gz NOLAYQTZYXHYRR-UHFFFAOYSA-N -1 1 262.309 2.917 20 0 CFADMM COC(=O)c1cccc2[n-]c(O[C@@H](C)C3CCC3)nc21 ZINC001234040290 778149256 /nfs/dbraw/zinc/14/92/56/778149256.db2.gz XUFFMEIHDVLEOX-VIFPVBQESA-N -1 1 274.320 2.917 20 0 CFADMM COC(=O)c1cccc2nc(O[C@@H](C)C3CCC3)[n-]c21 ZINC001234040290 778149260 /nfs/dbraw/zinc/14/92/60/778149260.db2.gz XUFFMEIHDVLEOX-VIFPVBQESA-N -1 1 274.320 2.917 20 0 CFADMM COC(=O)c1cccc2[n-]c(OC(C3CC3)C3CC3)nc21 ZINC001234046142 778152143 /nfs/dbraw/zinc/15/21/43/778152143.db2.gz YODXBMLVGBJAKP-UHFFFAOYSA-N -1 1 286.331 2.917 20 0 CFADMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@H]1CC[C@H](C)C1 ZINC001234559469 778251735 /nfs/dbraw/zinc/25/17/35/778251735.db2.gz FOJVTFHPDPTMJO-UWVGGRQHSA-N -1 1 294.351 2.660 20 0 CFADMM CCC(CC)Oc1c(=O)[n-]c(C(C)C)nc1C(=O)OC 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CCC(=O)c1ccc([O-])cc1O[C@@H]1CCO[C@H](C)C1 ZINC001229477492 778309712 /nfs/dbraw/zinc/30/97/12/778309712.db2.gz NSZUCEIMRHPUCK-ZYHUDNBSSA-N -1 1 264.321 2.931 20 0 CFADMM Cc1c(C(=O)[O-])ccc(-c2cc(N)ccn2)c1Cl ZINC001236108351 778697877 /nfs/dbraw/zinc/69/78/77/778697877.db2.gz LFDZOYMFBNSWIH-UHFFFAOYSA-N -1 1 262.696 2.991 20 0 CFADMM Cc1ccc(F)c(-c2ccc3ncn(C)c3n2)c1[O-] ZINC001236392006 778800777 /nfs/dbraw/zinc/80/07/77/778800777.db2.gz JYBVJKQVMMWQHQ-UHFFFAOYSA-N -1 1 257.268 2.788 20 0 CFADMM Cc1cccc2c1[C@H](OCCCC[P@](=O)([O-])O)CC2 ZINC001225023616 778817185 /nfs/dbraw/zinc/81/71/85/778817185.db2.gz ZINXMHSKLWWDQR-CYBMUJFWSA-N -1 1 284.292 2.957 20 0 CFADMM C[C@@H]1CN(Cc2ccc(Cl)c([O-])c2)CCCC1=O ZINC001231733118 778868760 /nfs/dbraw/zinc/86/87/60/778868760.db2.gz NEDVLTIUXKRPET-SNVBAGLBSA-N -1 1 267.756 2.847 20 0 CFADMM CO[C@H]1CCC[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001120710055 778963126 /nfs/dbraw/zinc/96/31/26/778963126.db2.gz CXVWRFGKYQTHFS-SKDRFNHKSA-N -1 1 269.728 2.799 20 0 CFADMM [O-]c1cc(CN2CC3(C2)C[C@H](F)CS3)cc(F)c1F ZINC001232975908 779002260 /nfs/dbraw/zinc/00/22/60/779002260.db2.gz RJCGDBPQZOFQSA-VIFPVBQESA-N -1 1 289.322 2.700 20 0 CFADMM [O-]c1ccc(-c2noc(C[C@@H]3CCCOC3)n2)cc1F ZINC000350611880 779044576 /nfs/dbraw/zinc/04/45/76/779044576.db2.gz OZIHGFYCVKGGKG-VIFPVBQESA-N -1 1 278.283 2.550 20 0 CFADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(N)c2)c1C ZINC001237603084 779140231 /nfs/dbraw/zinc/14/02/31/779140231.db2.gz IPALSKKMRNUPCO-UHFFFAOYSA-N -1 1 276.361 2.686 20 0 CFADMM CC(C)(O)[C@H]1CCCN1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237993907 779224145 /nfs/dbraw/zinc/22/41/45/779224145.db2.gz VTIUUSKXBFSZCH-GFCCVEGCSA-N -1 1 287.762 2.920 20 0 CFADMM [O-]c1c(F)cc(CN2CCC3(CCO3)CC2)cc1Cl ZINC001237998972 779227756 /nfs/dbraw/zinc/22/77/56/779227756.db2.gz ZLPCSQWWAYHEBZ-UHFFFAOYSA-N -1 1 285.746 2.940 20 0 CFADMM Cc1cc(C(=O)[O-])ccc1CN1CC[C@@](C)(F)[C@H](F)C1 ZINC001238142259 779261001 /nfs/dbraw/zinc/26/10/01/779261001.db2.gz QQNDZUIQUHQOIS-UKRRQHHQSA-N -1 1 283.318 2.965 20 0 CFADMM CC[C@@H]1OC(=O)C(Oc2nc3sccc3[n-]2)=C1C ZINC001234846878 779271061 /nfs/dbraw/zinc/27/10/61/779271061.db2.gz DLOCPAUGAPPZDZ-QMMMGPOBSA-N -1 1 264.306 2.613 20 0 CFADMM [O-]c1ccc(-c2noc(C3(C(F)F)CC3)n2)cc1F ZINC000351361389 779272764 /nfs/dbraw/zinc/27/27/64/779272764.db2.gz FVLYITRAQAOGQX-UHFFFAOYSA-N -1 1 270.210 2.878 20 0 CFADMM [O-]c1ccc(Br)c(CN2CCCC2)c1F ZINC001238305642 779291496 /nfs/dbraw/zinc/29/14/96/779291496.db2.gz NZTHLBZXNGLIRN-UHFFFAOYSA-N -1 1 274.133 2.890 20 0 CFADMM c1oc2ccccc2c1-c1ccc(-c2nnn[n-]2)nc1 ZINC001239060341 779455236 /nfs/dbraw/zinc/45/52/36/779455236.db2.gz HCDXDERRJPWQFM-UHFFFAOYSA-N -1 1 263.260 2.675 20 0 CFADMM c1oc2ccccc2c1-c1ccc(-c2nn[n-]n2)nc1 ZINC001239060341 779455238 /nfs/dbraw/zinc/45/52/38/779455238.db2.gz HCDXDERRJPWQFM-UHFFFAOYSA-N -1 1 263.260 2.675 20 0 CFADMM O=[P@@]([O-])(O)c1ccc(-c2cccc3cnccc32)cc1 ZINC001240010954 779909422 /nfs/dbraw/zinc/90/94/22/779909422.db2.gz MZTOMWIKZPPSJT-UHFFFAOYSA-N -1 1 285.239 2.705 20 0 CFADMM O=[P@]([O-])(O)c1ccc(-c2cccc3cnccc32)cc1 ZINC001240010954 779909426 /nfs/dbraw/zinc/90/94/26/779909426.db2.gz MZTOMWIKZPPSJT-UHFFFAOYSA-N -1 1 285.239 2.705 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3c(C)nn(C)c3C)cc2[n-]1 ZINC001240147292 779968468 /nfs/dbraw/zinc/96/84/68/779968468.db2.gz VKCPBCDDCMWHGD-UHFFFAOYSA-N -1 1 298.346 2.757 20 0 CFADMM CCOC(=O)c1nc2cc(-c3c(C)nn(C)c3C)ccc2[n-]1 ZINC001240147292 779968473 /nfs/dbraw/zinc/96/84/73/779968473.db2.gz VKCPBCDDCMWHGD-UHFFFAOYSA-N -1 1 298.346 2.757 20 0 CFADMM COC(=O)c1cncc(Nc2cc(F)c([O-])c(Cl)c2)n1 ZINC001214483019 780340005 /nfs/dbraw/zinc/34/00/05/780340005.db2.gz YXBAYICDOPXMEP-UHFFFAOYSA-N -1 1 297.673 2.505 20 0 CFADMM COC(=O)c1ccc2c(c1)ncnc2-c1cc(F)ccc1[O-] ZINC001240693428 780363594 /nfs/dbraw/zinc/36/35/94/780363594.db2.gz QZLXZBUZRUREQO-UHFFFAOYSA-N -1 1 298.273 2.928 20 0 CFADMM COC(=O)CSc1cccc(-c2cc(F)ccc2[O-])n1 ZINC001240694079 780365209 /nfs/dbraw/zinc/36/52/09/780365209.db2.gz PEVZUUXCGFVLEJ-UHFFFAOYSA-N -1 1 293.319 2.858 20 0 CFADMM [O-]c1ccc(F)cc1-c1cc(-c2nnco2)ccn1 ZINC001240695398 780366590 /nfs/dbraw/zinc/36/65/90/780366590.db2.gz JXXWCIGJJPJPGL-UHFFFAOYSA-N -1 1 257.224 2.643 20 0 CFADMM COc1cccc(-c2noc(-c3ncccc3[O-])n2)c1OC ZINC001212480984 780394922 /nfs/dbraw/zinc/39/49/22/780394922.db2.gz SURNTLSJFVJUDX-UHFFFAOYSA-N -1 1 299.286 2.521 20 0 CFADMM Cn1ccc2cc(-c3noc(-c4ncccc4[O-])n3)ccc21 ZINC001212480857 780396351 /nfs/dbraw/zinc/39/63/51/780396351.db2.gz MUWJRCWFEVMPMV-UHFFFAOYSA-N -1 1 292.298 2.996 20 0 CFADMM CN(C)c1cccc(-c2noc(-c3ncccc3[O-])n2)c1 ZINC001212480880 780396561 /nfs/dbraw/zinc/39/65/61/780396561.db2.gz OBJTZQMJUPROAF-UHFFFAOYSA-N -1 1 282.303 2.570 20 0 CFADMM COc1c(F)ccc([N-]c2nonc2C2CC2)c1F ZINC001212498780 780426229 /nfs/dbraw/zinc/42/62/29/780426229.db2.gz XEEWPTQEBZQLER-UHFFFAOYSA-N -1 1 267.235 2.977 20 0 CFADMM COC(=O)c1ccc(-c2ccc([O-])c(F)c2)nc1F ZINC001240782154 780436653 /nfs/dbraw/zinc/43/66/53/780436653.db2.gz RVDGYHSOEHAEGO-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM [O-]c1ccc(-c2ccc(OC(F)F)nn2)cc1F ZINC001240786165 780440139 /nfs/dbraw/zinc/44/01/39/780440139.db2.gz OUYLTUSIVJZYAQ-UHFFFAOYSA-N -1 1 256.183 2.590 20 0 CFADMM [O-]c1ccc(-c2cncc(OC(F)F)n2)cc1F ZINC001240786076 780440204 /nfs/dbraw/zinc/44/02/04/780440204.db2.gz KSVJJDCZDYEPDI-UHFFFAOYSA-N -1 1 256.183 2.590 20 0 CFADMM CCOC(=O)c1cnc(CC)nc1-c1ccc([O-])c(F)c1 ZINC001240785685 780440284 /nfs/dbraw/zinc/44/02/84/780440284.db2.gz AWPUXAONCVVTFA-UHFFFAOYSA-N -1 1 290.294 2.727 20 0 CFADMM CN(C)c1ccnc(-c2c(F)cc([O-])cc2F)c1 ZINC001241118017 780646199 /nfs/dbraw/zinc/64/61/99/780646199.db2.gz CIMXPVSSYLKBQO-UHFFFAOYSA-N -1 1 250.248 2.798 20 0 CFADMM [O-]c1cc(F)c(-c2ccc3nccnc3n2)c(F)c1 ZINC001241117330 780646367 /nfs/dbraw/zinc/64/63/67/780646367.db2.gz MITLFVZFMNXMFJ-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM CCc1cc(-c2c(F)cc([O-])cc2F)nc(C)n1 ZINC001241119078 780647359 /nfs/dbraw/zinc/64/73/59/780647359.db2.gz WQVSWXYFPZWDAQ-UHFFFAOYSA-N -1 1 250.248 2.998 20 0 CFADMM CCCNC(=O)c1cccnc1-c1c(F)cc([O-])cc1F ZINC001241119697 780648325 /nfs/dbraw/zinc/64/83/25/780648325.db2.gz IJVXYWMIHIGRKR-UHFFFAOYSA-N -1 1 292.285 2.872 20 0 CFADMM [O-]c1cc(F)c(-c2cc(-c3nnco3)ccn2)c(F)c1 ZINC001241119617 780648762 /nfs/dbraw/zinc/64/87/62/780648762.db2.gz HOIZSZMJALLUPI-UHFFFAOYSA-N -1 1 275.214 2.782 20 0 CFADMM Cc1nnc2cc(-c3c(F)cc([O-])cc3F)ccn12 ZINC001241120833 780649610 /nfs/dbraw/zinc/64/96/10/780649610.db2.gz NVPIEPSFOCMSRQ-UHFFFAOYSA-N -1 1 261.231 2.689 20 0 CFADMM COCCOc1ccc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241122245 780650781 /nfs/dbraw/zinc/65/07/81/780650781.db2.gz YVCFHCQWHXTDFC-UHFFFAOYSA-N -1 1 281.258 2.758 20 0 CFADMM Cn1c(=O)oc2cc(-c3c(F)cc([O-])cc3F)ccc21 ZINC001241121679 780651335 /nfs/dbraw/zinc/65/13/35/780651335.db2.gz ATJVTTPSUMBONX-UHFFFAOYSA-N -1 1 277.226 2.782 20 0 CFADMM O=C1NCc2ccc(-c3c(F)cc([O-])cc3F)cc21 ZINC001241121977 780651348 /nfs/dbraw/zinc/65/13/48/780651348.db2.gz GQBYZLUWWNZCSX-UHFFFAOYSA-N -1 1 261.227 2.581 20 0 CFADMM O=C1Nc2ncc(-c3c(F)cc([O-])cc3F)cc2C12CC2 ZINC001241124543 780652106 /nfs/dbraw/zinc/65/21/06/780652106.db2.gz HTABLBJKKCEHAQ-UHFFFAOYSA-N -1 1 288.253 2.716 20 0 CFADMM [O-]c1cc(F)c(-c2cnc(N3CCCC3)cn2)c(F)c1 ZINC001241122829 780652438 /nfs/dbraw/zinc/65/24/38/780652438.db2.gz NFKQELDJRCUFHE-UHFFFAOYSA-N -1 1 277.274 2.728 20 0 CFADMM CCOC(=O)Cc1ccncc1-c1c(F)cc([O-])cc1F ZINC001241122988 780652718 /nfs/dbraw/zinc/65/27/18/780652718.db2.gz QDNAUDMAWFRZCU-UHFFFAOYSA-N -1 1 293.269 2.838 20 0 CFADMM O=C([O-])c1ccc(-c2ccc3cncn3c2)cc1F ZINC001241184587 780688942 /nfs/dbraw/zinc/68/89/42/780688942.db2.gz FNJQAORLVMICJJ-UHFFFAOYSA-N -1 1 256.236 2.839 20 0 CFADMM O=C([O-])c1ccc(-c2cccn3cncc23)cc1F ZINC001241187886 780691873 /nfs/dbraw/zinc/69/18/73/780691873.db2.gz RJNSUSONWNTMCB-UHFFFAOYSA-N -1 1 256.236 2.839 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccncc3F)cc2[n-]1 ZINC001241226358 780715414 /nfs/dbraw/zinc/71/54/14/780715414.db2.gz YBCFJPVCKLEKQR-UHFFFAOYSA-N -1 1 271.251 2.551 20 0 CFADMM COC(=O)c1nc2cc(-c3ccncc3F)ccc2[n-]1 ZINC001241226358 780715418 /nfs/dbraw/zinc/71/54/18/780715418.db2.gz YBCFJPVCKLEKQR-UHFFFAOYSA-N -1 1 271.251 2.551 20 0 CFADMM CCOc1nccc(-c2c(F)ccc([O-])c2F)n1 ZINC001241288933 780758580 /nfs/dbraw/zinc/75/85/80/780758580.db2.gz BYFNXIFXEFPBIS-UHFFFAOYSA-N -1 1 252.220 2.526 20 0 CFADMM CCOC(=O)c1cc(-c2c(F)ccc([O-])c2F)nc(C)n1 ZINC001241291115 780760140 /nfs/dbraw/zinc/76/01/40/780760140.db2.gz FRCUZFFOCJXDLT-UHFFFAOYSA-N -1 1 294.257 2.613 20 0 CFADMM [O-]c1ccc(F)c(-c2ccc(N3CCCC3)nn2)c1F ZINC001241291267 780761022 /nfs/dbraw/zinc/76/10/22/780761022.db2.gz VMHISGKCYFUEPS-UHFFFAOYSA-N -1 1 277.274 2.728 20 0 CFADMM Cn1ccc2c1ncnc2-c1c(F)ccc([O-])c1F ZINC001241291722 780761444 /nfs/dbraw/zinc/76/14/44/780761444.db2.gz SWTRKELNDYTRIM-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM COC(=O)c1cnc(-c2c(F)ccc([O-])c2F)c(C)c1 ZINC001241291218 780761990 /nfs/dbraw/zinc/76/19/90/780761990.db2.gz JWLPNIHOULZRCZ-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM COC(=O)c1ccnc(-c2c(F)ccc([O-])c2F)c1C ZINC001241291509 780762057 /nfs/dbraw/zinc/76/20/57/780762057.db2.gz OAFGSTUVXCNRLR-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM CC[C@@H](C)C[C@H](CC)Oc1nc(=O)[n-]cc1C(=O)OC ZINC001229872299 780858181 /nfs/dbraw/zinc/85/81/81/780858181.db2.gz HYDXVXUNVGJSSA-ZJUUUORDSA-N -1 1 282.340 2.562 20 0 CFADMM CCc1cccc(-c2ccc([P@@](=O)([O-])O)cc2)c1 ZINC001241549987 780971446 /nfs/dbraw/zinc/97/14/46/780971446.db2.gz RRHBAPZHCSYARZ-UHFFFAOYSA-N -1 1 262.245 2.719 20 0 CFADMM CCc1cccc(-c2ccc([P@](=O)([O-])O)cc2)c1 ZINC001241549987 780971453 /nfs/dbraw/zinc/97/14/53/780971453.db2.gz RRHBAPZHCSYARZ-UHFFFAOYSA-N -1 1 262.245 2.719 20 0 CFADMM Cc1ccnc(F)c1Nc1nc[n-]c(=O)c1Br ZINC001212555985 781053299 /nfs/dbraw/zinc/05/32/99/781053299.db2.gz SOCRBUMVTOMYGF-UHFFFAOYSA-N -1 1 299.103 2.531 20 0 CFADMM O=C([O-])[C@H]1CCN(Cc2ccsc2C(F)(F)F)C1 ZINC000704315178 781095618 /nfs/dbraw/zinc/09/56/18/781095618.db2.gz IYLARNJIAQPCJO-QMMMGPOBSA-N -1 1 279.283 2.673 20 0 CFADMM CN(C)Cc1cc(-c2cncc(C(=O)[O-])c2)ccc1F ZINC001241802913 781134245 /nfs/dbraw/zinc/13/42/45/781134245.db2.gz SUGONACRLKEQAE-UHFFFAOYSA-N -1 1 274.295 2.648 20 0 CFADMM Cc1cc2[nH]cnc2cc1-c1cncc(C(=O)[O-])c1 ZINC001241803948 781135594 /nfs/dbraw/zinc/13/55/94/781135594.db2.gz ZOYBHYXEQDMHNF-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc(F)cn3)cc2[n-]1 ZINC001241807581 781137213 /nfs/dbraw/zinc/13/72/13/781137213.db2.gz MEEPTRWWHJXBFP-UHFFFAOYSA-N -1 1 271.251 2.551 20 0 CFADMM COC(=O)c1nc2cc(-c3ccc(F)cn3)ccc2[n-]1 ZINC001241807581 781137215 /nfs/dbraw/zinc/13/72/15/781137215.db2.gz MEEPTRWWHJXBFP-UHFFFAOYSA-N -1 1 271.251 2.551 20 0 CFADMM COc1ccc(-c2ccc(CN(C)C)cn2)cc1C(=O)[O-] ZINC001241862272 781157600 /nfs/dbraw/zinc/15/76/00/781157600.db2.gz PRZXSXFWXSDTLL-UHFFFAOYSA-N -1 1 286.331 2.517 20 0 CFADMM COc1ccc(-c2cccn3cncc23)cc1C(=O)[O-] ZINC001241880646 781162849 /nfs/dbraw/zinc/16/28/49/781162849.db2.gz RKMXYDBQALWYSB-UHFFFAOYSA-N -1 1 268.272 2.708 20 0 CFADMM C[C@@]1(C(F)(F)F)CCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000708922822 781285165 /nfs/dbraw/zinc/28/51/65/781285165.db2.gz ANYBIDHMDWVUJH-GFCCVEGCSA-N -1 1 288.269 2.554 20 0 CFADMM COC(=O)c1nccnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242126741 781293414 /nfs/dbraw/zinc/29/34/14/781293414.db2.gz PWESBWWQOKIFJT-UHFFFAOYSA-N -1 1 298.220 2.655 20 0 CFADMM CC(=O)Nc1cncc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242132362 781295273 /nfs/dbraw/zinc/29/52/73/781295273.db2.gz TUUGSAMONHLGST-UHFFFAOYSA-N -1 1 297.236 2.826 20 0 CFADMM CC(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2[O-])nn1 ZINC001242131709 781295439 /nfs/dbraw/zinc/29/54/39/781295439.db2.gz OSAOBNNASBSVKF-UHFFFAOYSA-N -1 1 297.236 2.826 20 0 CFADMM NC(=O)c1cccc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242132295 781295553 /nfs/dbraw/zinc/29/55/53/781295553.db2.gz PRWCANDUAINCPF-UHFFFAOYSA-N -1 1 282.221 2.572 20 0 CFADMM O=C1Cc2cc(-c3ccc([O-])c(C(F)(F)F)c3)ncc2N1 ZINC001242147909 781300750 /nfs/dbraw/zinc/30/07/50/781300750.db2.gz IXLIXWAYZCXMDE-UHFFFAOYSA-N -1 1 294.232 2.968 20 0 CFADMM COC(=O)c1cnnc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242147810 781301304 /nfs/dbraw/zinc/30/13/04/781301304.db2.gz FUCLCCRNXUQACJ-UHFFFAOYSA-N -1 1 298.220 2.655 20 0 CFADMM COc1cnc(-c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001242151276 781303380 /nfs/dbraw/zinc/30/33/80/781303380.db2.gz IXLMFQSBHIMZDX-UHFFFAOYSA-N -1 1 270.210 2.877 20 0 CFADMM CC(=O)Nc1cncc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242152863 781304131 /nfs/dbraw/zinc/30/41/31/781304131.db2.gz LZNVANIBUHYVOF-UHFFFAOYSA-N -1 1 297.236 2.826 20 0 CFADMM COC(=O)c1cc(F)ncc1-c1ccc(F)cc1[O-] ZINC001242218649 781332924 /nfs/dbraw/zinc/33/29/24/781332924.db2.gz JJMBVYHOJIAFNO-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM [O-]c1cc(F)ccc1-c1cc(-c2nn[nH]n2)ccc1F ZINC001242219196 781333949 /nfs/dbraw/zinc/33/39/49/781333949.db2.gz MOPWNRHOXKJXDA-UHFFFAOYSA-N -1 1 274.230 2.518 20 0 CFADMM [O-]c1cc(F)ccc1-c1cnc(OCc2ccccn2)nc1 ZINC001242219781 781334020 /nfs/dbraw/zinc/33/40/20/781334020.db2.gz QMNMZPZZLPFANS-UHFFFAOYSA-N -1 1 297.289 2.962 20 0 CFADMM Cc1c(F)cc(-c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC001242287661 781370799 /nfs/dbraw/zinc/37/07/99/781370799.db2.gz POTNWEDLBHUUAM-UHFFFAOYSA-N -1 1 273.246 2.515 20 0 CFADMM Cc1c(F)cc(-c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC001242287661 781370806 /nfs/dbraw/zinc/37/08/06/781370806.db2.gz POTNWEDLBHUUAM-UHFFFAOYSA-N -1 1 273.246 2.515 20 0 CFADMM CN1CCc2c(F)cc(-c3ccc(C(=O)[O-])nc3)cc2C1 ZINC001242338591 781410579 /nfs/dbraw/zinc/41/05/79/781410579.db2.gz XAMPIDIBPLEHFW-UHFFFAOYSA-N -1 1 286.306 2.574 20 0 CFADMM CC[C@@H]1CN(Cc2cc(C(=O)[O-])cs2)[C@H](CC)CO1 ZINC000711392081 781420674 /nfs/dbraw/zinc/42/06/74/781420674.db2.gz GWESHFKHAOAJST-VXGBXAGGSA-N -1 1 283.393 2.836 20 0 CFADMM NC(=O)c1cc(F)c(-c2cccc(F)c2[O-])cc1F ZINC001242352833 781427140 /nfs/dbraw/zinc/42/71/40/781427140.db2.gz QYNVBSBDMSWDNN-UHFFFAOYSA-N -1 1 267.206 2.575 20 0 CFADMM CON(C)C(=O)c1ccc(-c2cccc(Cl)c2[O-])cn1 ZINC001242366341 781439014 /nfs/dbraw/zinc/43/90/14/781439014.db2.gz VTRSODXTPBBZGT-UHFFFAOYSA-N 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259.692 2.956 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc(C)cn3)cc2[n-]1 ZINC001242905718 781833667 /nfs/dbraw/zinc/83/36/67/781833667.db2.gz ZAKPIQCLVAMTRM-UHFFFAOYSA-N -1 1 267.288 2.720 20 0 CFADMM COC(=O)c1nc2cc(-c3ccc(C)cn3)ccc2[n-]1 ZINC001242905718 781833676 /nfs/dbraw/zinc/83/36/76/781833676.db2.gz ZAKPIQCLVAMTRM-UHFFFAOYSA-N -1 1 267.288 2.720 20 0 CFADMM COc1c(O[C@@H]2CC[C@@H](C)[C@H](C)C2)nc(C)[n-]c1=O ZINC001230022902 781843500 /nfs/dbraw/zinc/84/35/00/781843500.db2.gz XJMGUFIYTMQRHG-FXPVBKGRSA-N -1 1 266.341 2.703 20 0 CFADMM C[C@@H]1c2sccc2CCN1C(=O)c1ncccc1[O-] ZINC000712278360 781913646 /nfs/dbraw/zinc/91/36/46/781913646.db2.gz QJQZCUJFROUVHH-SECBINFHSA-N -1 1 274.345 2.608 20 0 CFADMM CCOC(=O)[C@@H](C)CCc1nc(=O)c2sc(C)cc2[n-]1 ZINC000594659155 349470131 /nfs/dbraw/zinc/47/01/31/349470131.db2.gz CIEICKKHVJULCP-QMMMGPOBSA-N -1 1 294.376 2.837 20 0 CFADMM COC[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(C)o1 ZINC000127765632 187331426 /nfs/dbraw/zinc/33/14/26/187331426.db2.gz ANPSROAZWDZTKT-NSHDSACASA-N -1 1 293.294 2.550 20 0 CFADMM Cc1nc(C2CC2)oc1C(=O)Nc1ccc(F)cc1[O-] ZINC000273851511 192335071 /nfs/dbraw/zinc/33/50/71/192335071.db2.gz NKJDDTONGLJTDO-UHFFFAOYSA-N -1 1 276.267 2.957 20 0 CFADMM CS[C@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000125152005 187172471 /nfs/dbraw/zinc/17/24/71/187172471.db2.gz REJCCKSYZGNUKZ-ZJUUUORDSA-N -1 1 283.368 2.935 20 0 CFADMM O=S(=O)([N-]c1ccccc1)c1ccc2c(c1)COC2 ZINC000068074787 346834011 /nfs/dbraw/zinc/83/40/11/346834011.db2.gz OSJBBDNKYMQDAM-UHFFFAOYSA-N -1 1 275.329 2.518 20 0 CFADMM CC1(C)CN(C(=O)C(=O)c2ccc([O-])cc2)[C@@H]2CCC[C@H]21 ZINC000294973405 199278080 /nfs/dbraw/zinc/27/80/80/199278080.db2.gz YYPVAPJZRNPNHX-ZIAGYGMSSA-N -1 1 287.359 2.612 20 0 CFADMM CSCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000070185385 346907317 /nfs/dbraw/zinc/90/73/17/346907317.db2.gz GMVOPWBENHLKFB-UHFFFAOYSA-N -1 1 261.346 2.638 20 0 CFADMM CC[C@H](C)CN(CC)C(=O)c1ncc(C)cc1[O-] ZINC000427254555 529657829 /nfs/dbraw/zinc/65/78/29/529657829.db2.gz ALPNLUXGHSWUPR-JTQLQIEISA-N -1 1 250.342 2.604 20 0 CFADMM CCCc1cc([N-]S(=O)(=O)c2cc(C)sc2C)[nH]n1 ZINC000126442237 187240486 /nfs/dbraw/zinc/24/04/86/187240486.db2.gz OKLNCRIDTHGPNS-UHFFFAOYSA-N -1 1 299.421 2.841 20 0 CFADMM C[C@H]1CCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000016484646 232172920 /nfs/dbraw/zinc/17/29/20/232172920.db2.gz JPTCQHIAXBEHHW-VIFPVBQESA-N -1 1 263.366 2.771 20 0 CFADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccncc1 ZINC000105565089 232187791 /nfs/dbraw/zinc/18/77/91/232187791.db2.gz ZCOQSOVVZTWADT-UHFFFAOYSA-N -1 1 282.752 2.844 20 0 CFADMM O=C(NCc1cc2ccccc2[nH]1)c1ccc([O-])cc1F ZINC000162790487 232256124 /nfs/dbraw/zinc/25/61/24/232256124.db2.gz YJVAMTVKGWXKNK-UHFFFAOYSA-N -1 1 284.290 2.943 20 0 CFADMM O=C(NC[C@H]1Cc2ccccc21)c1cc(F)ccc1[O-] ZINC000124052512 539520438 /nfs/dbraw/zinc/52/04/38/539520438.db2.gz BYXRVKXZUHEHJP-LLVKDONJSA-N -1 1 271.291 2.601 20 0 CFADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(F)ccc1[O-] ZINC000127563744 187316088 /nfs/dbraw/zinc/31/60/88/187316088.db2.gz MUCITVSFEQEBKG-MWLCHTKSSA-N -1 1 251.301 2.934 20 0 CFADMM CC(C)(C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000042061545 346360008 /nfs/dbraw/zinc/36/00/08/346360008.db2.gz ULCDHAROUDXUFW-UHFFFAOYSA-N -1 1 289.375 2.860 20 0 CFADMM C[C@]1(C(=O)[O-])CCN(Cc2coc(-c3cccs3)n2)C1 ZINC000062936438 346694228 /nfs/dbraw/zinc/69/42/28/346694228.db2.gz UMPSRQSQBLXMDS-AWEZNQCLSA-N -1 1 292.360 2.700 20 0 CFADMM CN(C(=O)c1ncccc1[O-])C(C)(C)c1ccccc1 ZINC000671892056 539550701 /nfs/dbraw/zinc/55/07/01/539550701.db2.gz FQVNASMKBGYQKI-UHFFFAOYSA-N -1 1 270.332 2.795 20 0 CFADMM CC(=O)N(C)c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000065807705 346742119 /nfs/dbraw/zinc/74/21/19/346742119.db2.gz GACUAFMJFZRSHL-UHFFFAOYSA-N -1 1 284.315 2.627 20 0 CFADMM C[C@H](O)C[C@H](C)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000081796460 347436555 /nfs/dbraw/zinc/43/65/55/347436555.db2.gz RSRTZLHNGQHQMJ-RYUDHWBXSA-N -1 1 287.359 2.682 20 0 CFADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1csc(-c2ccco2)n1 ZINC000092939140 347652753 /nfs/dbraw/zinc/65/27/53/347652753.db2.gz IWJZNECFKYNLNM-GXSJLCMTSA-N -1 1 292.360 2.698 20 0 CFADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1csc(-c2ccco2)n1 ZINC000092939141 347652954 /nfs/dbraw/zinc/65/29/54/347652954.db2.gz IWJZNECFKYNLNM-KOLCDFICSA-N -1 1 292.360 2.698 20 0 CFADMM Cc1nc(CN2CCC(CCC(=O)[O-])CC2)sc1C ZINC000094969357 347697708 /nfs/dbraw/zinc/69/77/08/347697708.db2.gz HAWBEZFQOVTZQN-UHFFFAOYSA-N -1 1 282.409 2.837 20 0 CFADMM O=S(=O)([N-]c1cc(C2CC2)n[nH]1)c1cccc(Cl)c1 ZINC000107354079 347734939 /nfs/dbraw/zinc/73/49/39/347734939.db2.gz MELKQUCRVYBPAC-UHFFFAOYSA-N -1 1 297.767 2.741 20 0 CFADMM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000128652664 187382722 /nfs/dbraw/zinc/38/27/22/187382722.db2.gz NXAXTKPWOAPNMF-VHSXEESVSA-N -1 1 251.301 2.792 20 0 CFADMM CCCc1n[n-]c(=S)n1CC(=O)Nc1cccc(C)c1 ZINC000138252118 347915589 /nfs/dbraw/zinc/91/55/89/347915589.db2.gz KBFQAOUQAZQPTP-UHFFFAOYSA-N -1 1 290.392 2.840 20 0 CFADMM CC(C)c1ccc([C@@H](C)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000086806142 179337924 /nfs/dbraw/zinc/33/79/24/179337924.db2.gz MQAINISAPLCYLW-DOMZBBRYSA-N -1 1 277.364 2.656 20 0 CFADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1ccc(Cl)cc1F ZINC000162564149 348031392 /nfs/dbraw/zinc/03/13/92/348031392.db2.gz KJMKNTPAHAGETQ-GZMMTYOYSA-N -1 1 271.719 2.774 20 0 CFADMM CC[C@@H](CSC)[N@@H+](C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000167730060 348046241 /nfs/dbraw/zinc/04/62/41/348046241.db2.gz SPDVZZFTCNCROA-JTQLQIEISA-N -1 1 271.382 2.860 20 0 CFADMM CC[C@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)CCS1 ZINC000234101871 348219530 /nfs/dbraw/zinc/21/95/30/348219530.db2.gz IXXWGYRJPZSQEO-NSHDSACASA-N -1 1 283.368 2.851 20 0 CFADMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)C(=O)OC(C)(C)C ZINC000413649169 233110932 /nfs/dbraw/zinc/11/09/32/233110932.db2.gz DETHWOBTJGNROJ-MRVPVSSYSA-N -1 1 299.754 2.962 20 0 CFADMM COC(=O)[C@@H](NCc1cccc([O-])c1Cl)C(C)(C)C ZINC000590360318 348896266 /nfs/dbraw/zinc/89/62/66/348896266.db2.gz 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/nfs/dbraw/zinc/33/38/84/349333884.db2.gz JZEUNXOZZRLIEL-UHFFFAOYSA-N -1 1 291.351 2.661 20 0 CFADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccccc2)o1 ZINC000211480206 539743069 /nfs/dbraw/zinc/74/30/69/539743069.db2.gz DQEYIHXCGYAIGA-CYBMUJFWSA-N -1 1 259.305 2.894 20 0 CFADMM CCCN(CC(F)(F)F)C(=O)c1cc(F)ccc1[O-] ZINC000128643579 539740857 /nfs/dbraw/zinc/74/08/57/539740857.db2.gz ICABEHOIFRQLAF-UHFFFAOYSA-N -1 1 279.233 2.946 20 0 CFADMM CCC[C@@H]1SCCN1C(=O)c1cc(F)ccc1[O-] ZINC000271298652 191058801 /nfs/dbraw/zinc/05/88/01/191058801.db2.gz QJUWLLYLLBWYNS-LBPRGKRZSA-N -1 1 269.341 2.847 20 0 CFADMM C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])C[C@H]1C ZINC000091438992 180156195 /nfs/dbraw/zinc/15/61/95/180156195.db2.gz PIZOPKVRIZUSEQ-DTORHVGOSA-N -1 1 298.180 2.883 20 0 CFADMM COc1ccc(C(=O)Nc2ncc(Cl)s2)c([O-])c1 ZINC000081738313 539777579 /nfs/dbraw/zinc/77/75/79/539777579.db2.gz XLMGDMRDNUSBHS-UHFFFAOYSA-N -1 1 284.724 2.763 20 0 CFADMM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000105621193 186066298 /nfs/dbraw/zinc/06/62/98/186066298.db2.gz CSZINWAPXYIUED-RDDDGLTNSA-N -1 1 293.310 2.571 20 0 CFADMM CCOC(=O)[C@@H](Sc1ncc(C)c(=O)[n-]1)C(C)(C)C ZINC000600546496 350568884 /nfs/dbraw/zinc/56/88/84/350568884.db2.gz YPVMXHWYVMDVBF-SECBINFHSA-N -1 1 284.381 2.561 20 0 CFADMM CCOC(=O)[C@H](Sc1nc(CC)cc(=O)[n-]1)C(C)(C)C ZINC000600535696 350566864 /nfs/dbraw/zinc/56/68/64/350566864.db2.gz RCSPXJOGYUTCKU-NSHDSACASA-N -1 1 298.408 2.815 20 0 CFADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cncc([O-])c1 ZINC000109042369 186241000 /nfs/dbraw/zinc/24/10/00/186241000.db2.gz HKZRVWARBXDRFH-SECBINFHSA-N -1 1 292.285 2.899 20 0 CFADMM O=C(Nc1ccncc1[O-])c1cc(Cl)ccc1F ZINC000109890035 186277208 /nfs/dbraw/zinc/27/72/08/186277208.db2.gz KAKIZJQOBKJFLT-UHFFFAOYSA-N -1 1 266.659 2.832 20 0 CFADMM CCN(CCSC)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601657837 350754291 /nfs/dbraw/zinc/75/42/91/350754291.db2.gz UTSZINOORPZBRD-UHFFFAOYSA-N -1 1 287.812 2.800 20 0 CFADMM CCOC(=O)c1ccc(-n2[n-]c(C)c(CC)c2=O)cc1C ZINC000601948921 350816151 /nfs/dbraw/zinc/81/61/51/350816151.db2.gz GAVPXGYJRBZGAJ-CYBMUJFWSA-N -1 1 288.347 2.920 20 0 CFADMM CSC[C@@H](C)NC(=O)N=c1[n-]sc2ccccc21 ZINC000603050651 351094714 /nfs/dbraw/zinc/09/47/14/351094714.db2.gz KWFWZTHAQWSONH-MRVPVSSYSA-N -1 1 281.406 2.591 20 0 CFADMM CC(C)SCCNC(=O)N=c1[n-]sc2ccccc21 ZINC000603052325 351095981 /nfs/dbraw/zinc/09/59/81/351095981.db2.gz RRTQLDOXHWJPSM-UHFFFAOYSA-N -1 1 295.433 2.981 20 0 CFADMM CC(C)SCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000603878207 351189022 /nfs/dbraw/zinc/18/90/22/351189022.db2.gz DLIAQIBUFXESOO-UHFFFAOYSA-N -1 1 291.376 2.862 20 0 CFADMM CN(CC(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC000605438152 351246788 /nfs/dbraw/zinc/24/67/88/351246788.db2.gz CRGFMCBXWQTBBT-UHFFFAOYSA-N -1 1 274.295 2.606 20 0 CFADMM COc1cccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)c1 ZINC000608342637 351421944 /nfs/dbraw/zinc/42/19/44/351421944.db2.gz RMZLITVVHXRFRH-UHFFFAOYSA-N -1 1 293.344 2.510 20 0 CFADMM Cc1nc(C)c(C(=O)Nc2c([O-])cccc2F)s1 ZINC000608365957 351425802 /nfs/dbraw/zinc/42/58/02/351425802.db2.gz MERBOIUBOYYQFC-UHFFFAOYSA-N -1 1 266.297 2.857 20 0 CFADMM C[C@@H](C(=O)Nc1c([O-])cccc1F)C(F)(F)F ZINC000608366199 351426122 /nfs/dbraw/zinc/42/61/22/351426122.db2.gz OVFUBFIUCZMLLU-YFKPBYRVSA-N -1 1 251.179 2.668 20 0 CFADMM COc1ccc(CC(=O)Nc2c([O-])cccc2F)cc1F ZINC000608365379 351426180 /nfs/dbraw/zinc/42/61/80/351426180.db2.gz DYZGTJGUVOFYGP-UHFFFAOYSA-N -1 1 293.269 2.860 20 0 CFADMM CCCCO[C@H](C)C(=O)Nc1c([O-])cccc1F ZINC000608366890 351426248 /nfs/dbraw/zinc/42/62/48/351426248.db2.gz PSCPMXJBMCIDGU-SECBINFHSA-N -1 1 255.289 2.675 20 0 CFADMM C[C@H](CC(=O)Nc1c([O-])cccc1F)n1cccc1 ZINC000608366793 351426258 /nfs/dbraw/zinc/42/62/58/351426258.db2.gz ZGEUKCAMDBCVEG-SNVBAGLBSA-N -1 1 262.284 2.923 20 0 CFADMM C[C@H]1CN(C(=O)c2ncc3ccccc3c2[O-])C[C@@H]1C ZINC000611650660 351720297 /nfs/dbraw/zinc/72/02/97/351720297.db2.gz MFNMFXGSCRZOJK-QWRGUYRKSA-N -1 1 270.332 2.668 20 0 CFADMM CCC[C@H](NC(=O)C1CC2(C1)CCCCC2)c1nn[n-]n1 ZINC000612060925 351767190 /nfs/dbraw/zinc/76/71/90/351767190.db2.gz NBZSBTJFCKDLFM-LBPRGKRZSA-N -1 1 291.399 2.518 20 0 CFADMM CC[C@H](C)CSCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000124236806 187128386 /nfs/dbraw/zinc/12/83/86/187128386.db2.gz FQVOXYJZQAHIAY-NSHDSACASA-N -1 1 295.404 2.731 20 0 CFADMM COc1ccccc1CN(C(=O)c1ncccc1[O-])C1CC1 ZINC000123215457 187077797 /nfs/dbraw/zinc/07/77/97/187077797.db2.gz VLEBZPLPSKIALC-UHFFFAOYSA-N -1 1 298.342 2.601 20 0 CFADMM CCc1onc(C)c1[N-]C(=O)c1onc2c1CCCC2 ZINC000613075420 351896141 /nfs/dbraw/zinc/89/61/41/351896141.db2.gz UGWJASDSHRFMTN-UHFFFAOYSA-N -1 1 275.308 2.665 20 0 CFADMM CCc1nocc1C(=O)[N-]c1c(C)noc1C1CC1 ZINC000613429426 351958208 /nfs/dbraw/zinc/95/82/08/351958208.db2.gz GUDCPBJLEMZCLE-UHFFFAOYSA-N -1 1 261.281 2.663 20 0 CFADMM COC(=O)c1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000613440659 351960315 /nfs/dbraw/zinc/96/03/15/351960315.db2.gz IXEPRGXNPAHFRS-UHFFFAOYSA-N -1 1 289.262 2.570 20 0 CFADMM C[C@@H]1C[C@H](C)N1C(=O)c1ncc2ccccc2c1[O-] ZINC000614241094 352068372 /nfs/dbraw/zinc/06/83/72/352068372.db2.gz CTRPYCKWWKTZEB-AOOOYVTPSA-N -1 1 256.305 2.563 20 0 CFADMM CC[C@H]1CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000615212241 352167669 /nfs/dbraw/zinc/16/76/69/352167669.db2.gz IMAUYTZQJLGYCP-NSHDSACASA-N -1 1 256.305 2.565 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](OC(C)C)c1ccccc1 ZINC000615218654 352168209 /nfs/dbraw/zinc/16/82/09/352168209.db2.gz NEEILEXQEVUMBG-ZDUSSCGKSA-N -1 1 289.335 2.529 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(Cc2ccc(F)cc2)CC1 ZINC000615220707 352168908 /nfs/dbraw/zinc/16/89/08/352168908.db2.gz HLNIFCUHTNCCND-UHFFFAOYSA-N -1 1 289.310 2.524 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000615226921 352169818 /nfs/dbraw/zinc/16/98/18/352169818.db2.gz MXURORMHCDQCHY-LDYMZIIASA-N -1 1 289.335 2.711 20 0 CFADMM C[C@@H]1C[C@H](NC(=O)c2ncc3ccccc3c2[O-])CS1 ZINC000616270793 352317943 /nfs/dbraw/zinc/31/79/43/352317943.db2.gz JANDVFQJQPFYQL-KOLCDFICSA-N -1 1 288.372 2.564 20 0 CFADMM O=C(NCC1CSC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000616052142 352277869 /nfs/dbraw/zinc/27/78/69/352277869.db2.gz XDMKAMNHWBHWSN-UHFFFAOYSA-N -1 1 291.294 2.504 20 0 CFADMM Cc1cc(F)c(C(=O)Nc2ccncc2[O-])cc1F ZINC000136790975 539897834 /nfs/dbraw/zinc/89/78/34/539897834.db2.gz GZSKIQRHZANUKC-UHFFFAOYSA-N -1 1 264.231 2.626 20 0 CFADMM O=C(N[C@@]12C[C@@H]1CCC2)c1ncc2ccccc2c1[O-] ZINC000617219250 352519799 /nfs/dbraw/zinc/51/97/99/352519799.db2.gz XCZPDRDQERHCJC-ZBEGNZNMSA-N -1 1 268.316 2.613 20 0 CFADMM C[C@]1(CNC(=O)c2ncc3ccccc3c2[O-])CC1(F)F ZINC000618599054 352830338 /nfs/dbraw/zinc/83/03/38/352830338.db2.gz SUDFRKRHDNBRTJ-CQSZACIVSA-N -1 1 292.285 2.716 20 0 CFADMM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc([O-])c(F)c1 ZINC000618508354 352792574 /nfs/dbraw/zinc/79/25/74/352792574.db2.gz UVODRHKWLJFKDU-USWWRNFRSA-N -1 1 263.312 2.697 20 0 CFADMM O=C(NCCCC1CCC1)c1c([O-])cccc1F ZINC000618614467 352836509 /nfs/dbraw/zinc/83/65/09/352836509.db2.gz MNHHFCMABGZHDS-UHFFFAOYSA-N -1 1 251.301 2.841 20 0 CFADMM O=C(NCCCC1CCC1)c1ccc([O-])c(F)c1 ZINC000618614962 352837484 /nfs/dbraw/zinc/83/74/84/352837484.db2.gz UETSDYIAOXBWFC-UHFFFAOYSA-N -1 1 251.301 2.841 20 0 CFADMM CC1(C)[C@H](CNC(=O)c2cc(F)ccc2[O-])C1(F)F ZINC000619390366 353013376 /nfs/dbraw/zinc/01/33/76/353013376.db2.gz YYKHYJQRQYQZSE-JTQLQIEISA-N -1 1 273.254 2.552 20 0 CFADMM Cc1cnc(C(=O)N2CCC[C@H](C3CCC3)C2)c([O-])c1 ZINC000620206965 353133479 /nfs/dbraw/zinc/13/34/79/353133479.db2.gz UQKQLQNINZPCTK-ZDUSSCGKSA-N -1 1 274.364 2.748 20 0 CFADMM CC[C@H](C)[C@@H](C)N(C(=O)c1ncccc1[O-])C1CC1 ZINC000153765308 188102332 /nfs/dbraw/zinc/10/23/32/188102332.db2.gz RAZCWNRTCQDPMK-WDEREUQCSA-N -1 1 262.353 2.826 20 0 CFADMM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ncccc2[O-])s1 ZINC000153779875 188103935 /nfs/dbraw/zinc/10/39/35/188103935.db2.gz HNKSQRPVAPXCHG-SECBINFHSA-N -1 1 291.376 2.694 20 0 CFADMM O=C([N-]O[C@H]1CCCCO1)Nc1c(F)cccc1F ZINC000155469463 188207876 /nfs/dbraw/zinc/20/78/76/188207876.db2.gz RZSAAJVAMNLQQQ-JTQLQIEISA-N -1 1 272.251 2.545 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cnc2n1CCCCC2 ZINC000621918864 353445718 /nfs/dbraw/zinc/44/57/18/353445718.db2.gz QWGCOIYOSJXMGM-UHFFFAOYSA-N -1 1 289.310 2.707 20 0 CFADMM Cc1ccc2c(c1)N(C(=O)c1ccccc1[O-])CC2 ZINC000621978720 353457869 /nfs/dbraw/zinc/45/78/69/353457869.db2.gz WGRQDGMRICHTPG-UHFFFAOYSA-N -1 1 253.301 2.904 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC(CC2CC2)C1 ZINC000622252271 353513248 /nfs/dbraw/zinc/51/32/48/353513248.db2.gz IHPNJPLIBFPKRU-UHFFFAOYSA-N -1 1 265.740 2.918 20 0 CFADMM CCCOc1cc(C)ccc1NC(=O)C1=C([O-])C(C)N=N1 ZINC000622317204 353519673 /nfs/dbraw/zinc/51/96/73/353519673.db2.gz QLYMRQOFPKHPMG-UHFFFAOYSA-N -1 1 289.335 2.773 20 0 CFADMM C[C@@H](Cc1cnc[nH]1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000622518692 353529074 /nfs/dbraw/zinc/52/90/74/353529074.db2.gz COENDCUFDQYBRX-ZETCQYMHSA-N -1 1 297.717 2.725 20 0 CFADMM COC1(CNC(=O)c2cc(F)ccc2[O-])CCC(C)CC1 ZINC000622571020 353530062 /nfs/dbraw/zinc/53/00/62/353530062.db2.gz BIPRSFRHVGZRPX-UHFFFAOYSA-N -1 1 295.354 2.856 20 0 CFADMM CO[C@@H](C)c1nc(=NC[C@]2(C)C[C@H]3C[C@H]3C2)s[n-]1 ZINC000624657273 353919314 /nfs/dbraw/zinc/91/93/14/353919314.db2.gz LYJXGEWNCCWFKN-XHSYRHOGSA-N -1 1 267.398 2.516 20 0 CFADMM Oc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000625467503 354055174 /nfs/dbraw/zinc/05/51/74/354055174.db2.gz DIMVFONPVIYXOM-YGRLFVJLSA-N -1 1 267.756 2.656 20 0 CFADMM Cc1cccc(CS(=O)(=O)[N-][C@H]2CCCC2(F)F)c1 ZINC000672430621 540023537 /nfs/dbraw/zinc/02/35/37/540023537.db2.gz AJLINLQCFHABQH-LBPRGKRZSA-N -1 1 289.347 2.602 20 0 CFADMM Cc1cc(C(F)F)oc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000627511096 354370262 /nfs/dbraw/zinc/37/02/62/354370262.db2.gz NZXBIZSRDDOQEX-UHFFFAOYSA-N -1 1 271.223 2.515 20 0 CFADMM C[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)C[C@H](C)C1(F)F ZINC000628398558 354575386 /nfs/dbraw/zinc/57/53/86/354575386.db2.gz UBXORMHQLKKHAU-DTORHVGOSA-N -1 1 287.281 2.895 20 0 CFADMM COCCC(C)(C)C(=O)Nc1cccc(F)c1[O-] ZINC000628959874 354706710 /nfs/dbraw/zinc/70/67/10/354706710.db2.gz KIEZGIKHQZOKLW-UHFFFAOYSA-N -1 1 255.289 2.533 20 0 CFADMM CCCc1nc(C)c(C(=O)[N-]c2nc(SC)ns2)o1 ZINC000295424500 199502089 /nfs/dbraw/zinc/50/20/89/199502089.db2.gz OCQOXAYOPRPIJQ-UHFFFAOYSA-N -1 1 298.393 2.761 20 0 CFADMM CC1(C)CCC[C@](CO)(NC(=O)c2c([O-])cccc2F)C1 ZINC000628809076 354682240 /nfs/dbraw/zinc/68/22/40/354682240.db2.gz WGQRULQUEZNXDV-INIZCTEOSA-N -1 1 295.354 2.592 20 0 CFADMM C[C@H]1C[C@H]1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000629123265 354750583 /nfs/dbraw/zinc/75/05/83/354750583.db2.gz IKJBPNOVUHQKIY-UWVGGRQHSA-N -1 1 280.393 2.812 20 0 CFADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@@H]1CC=CCC1 ZINC000629371593 354791147 /nfs/dbraw/zinc/79/11/47/354791147.db2.gz ATLQUHCMEQKWFB-GFCCVEGCSA-N -1 1 283.331 2.873 20 0 CFADMM CCc1cc(=O)[n-]c(SCc2nc(C)oc2C)n1 ZINC000629174222 354764690 /nfs/dbraw/zinc/76/46/90/354764690.db2.gz CHGAAZFIMJTNPM-UHFFFAOYSA-N -1 1 265.338 2.642 20 0 CFADMM C[C@H](C(=O)[O-])[N@@H+](Cc1ccncc1Cl)C1CCC1 ZINC000629362574 354787433 /nfs/dbraw/zinc/78/74/33/354787433.db2.gz VXJLFDBNUOPTOG-SECBINFHSA-N -1 1 268.744 2.563 20 0 CFADMM C[C@@H]1CN(Cc2cc(O)ccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000629501776 354821438 /nfs/dbraw/zinc/82/14/38/354821438.db2.gz VUCDJCVWPOVMMK-SKDRFNHKSA-N -1 1 283.755 2.588 20 0 CFADMM CCC(O)(CC)CN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000629642238 354872381 /nfs/dbraw/zinc/87/23/81/354872381.db2.gz YWCXUCIKYZMJNB-UHFFFAOYSA-N -1 1 285.771 2.669 20 0 CFADMM Cc1cnc(C(=O)N2C[C@@H]3CCCC[C@@]32C)c([O-])c1 ZINC000629616484 354860680 /nfs/dbraw/zinc/86/06/80/354860680.db2.gz FQTMAOKPCNZAJR-NHYWBVRUSA-N -1 1 260.337 2.500 20 0 CFADMM C[C@H]1CN(Cc2nc3c(s2)CCCC3)CC[C@@H]1C(=O)[O-] ZINC000629772220 354928085 /nfs/dbraw/zinc/92/80/85/354928085.db2.gz LWANHCJAZWZRIM-QWRGUYRKSA-N -1 1 294.420 2.565 20 0 CFADMM CO[C@H]1C[C@@H](CNC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000629824025 354931935 /nfs/dbraw/zinc/93/19/35/354931935.db2.gz MJIFJFPNARQPGG-BJHJDKERSA-N 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/nfs/dbraw/zinc/72/29/29/541722929.db2.gz STPRJUFWYQOCKT-SSDOTTSWSA-N -1 1 278.283 2.878 20 0 CFADMM CCc1nnc([C@@H](C)Sc2nc(C)c(C)c(=O)[n-]2)o1 ZINC000330677214 203105967 /nfs/dbraw/zinc/10/59/67/203105967.db2.gz KXQHBXLFVMDAIA-MRVPVSSYSA-N -1 1 280.353 2.598 20 0 CFADMM CC(C)C([N-]S(=O)(=O)c1cccc(F)c1F)C(C)C ZINC000676236423 541736833 /nfs/dbraw/zinc/73/68/33/541736833.db2.gz BGOTYLXMTSAWSZ-UHFFFAOYSA-N -1 1 291.363 2.924 20 0 CFADMM CCCc1ncc(CNC(=O)c2ccc(Cl)cc2[O-])o1 ZINC000456506304 244204459 /nfs/dbraw/zinc/20/44/59/244204459.db2.gz QPFBMCJTTPDJKQ-UHFFFAOYSA-N -1 1 294.738 2.916 20 0 CFADMM CS[C@H](C)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000456791361 244288983 /nfs/dbraw/zinc/28/89/83/244288983.db2.gz YEAVRKIGYJOYAH-ZCFIWIBFSA-N -1 1 261.293 2.751 20 0 CFADMM Cc1cc(OC(C)C)ccc1NC(=O)C1=C([O-])C(C)N=N1 ZINC000676693970 541777201 /nfs/dbraw/zinc/77/72/01/541777201.db2.gz JEHYPYQAGMFTQW-UHFFFAOYSA-N -1 1 289.335 2.772 20 0 CFADMM Cc1nc2ccc(NC(=O)c3n[nH]c(C)c3[O-])cc2s1 ZINC000676630090 541772979 /nfs/dbraw/zinc/77/29/79/541772979.db2.gz TWRYONKHAHMWBI-UHFFFAOYSA-N -1 1 288.332 2.594 20 0 CFADMM C[C@@H]1OCC[C@]1(C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000230106812 189805287 /nfs/dbraw/zinc/80/52/87/189805287.db2.gz VRBZKXHLAKTAOT-GTNSWQLSSA-N -1 1 285.343 2.843 20 0 CFADMM C[C@H](C(=O)[N-]OC[C@@H]1CCOC1)c1cccc(Cl)c1 ZINC000276289954 193274038 /nfs/dbraw/zinc/27/40/38/193274038.db2.gz MJOBIVPYVLAMPR-WDEREUQCSA-N -1 1 283.755 2.528 20 0 CFADMM O=c1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)nc(C2CC2)[nH]1 ZINC000459345346 245148880 /nfs/dbraw/zinc/14/88/80/245148880.db2.gz SQKHAVMSTQCLEN-RISCZKNCSA-N -1 1 273.380 2.824 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC2(CC(F)C2)C1 ZINC000677124998 541823601 /nfs/dbraw/zinc/82/36/01/541823601.db2.gz CXYKUVHGMRRMHT-UHFFFAOYSA-N -1 1 269.703 2.620 20 0 CFADMM Cc1cnc(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)c([O-])c1 ZINC000332003290 204379427 /nfs/dbraw/zinc/37/94/27/204379427.db2.gz RKYIDMVLSYTSOK-SWLSCSKDSA-N -1 1 276.380 2.848 20 0 CFADMM C[C@@H](c1ccc(F)cc1F)N1CCC(C(=O)[O-])CC1 ZINC000003759426 371818192 /nfs/dbraw/zinc/81/81/92/371818192.db2.gz AJZRVGILLDCDBI-VIFPVBQESA-N -1 1 269.291 2.822 20 0 CFADMM O=C(NCc1ccccn1)c1ccc2ccccc2c1[O-] ZINC000017167840 372129412 /nfs/dbraw/zinc/12/94/12/372129412.db2.gz CHXPBCAUQYIXKR-UHFFFAOYSA-N -1 1 278.311 2.870 20 0 CFADMM CCCN(CC(=O)[O-])Cc1c(F)cccc1Cl ZINC000032111205 372428534 /nfs/dbraw/zinc/42/85/34/372428534.db2.gz AGOXJWIATFNDKO-UHFFFAOYSA-N -1 1 259.708 2.776 20 0 CFADMM Cc1[n-][nH]c(=NC(=O)C2CCC=CCC2)c1Br ZINC000636000115 383684004 /nfs/dbraw/zinc/68/40/04/383684004.db2.gz IRLQSDQFKALDCW-UHFFFAOYSA-N -1 1 298.184 2.587 20 0 CFADMM CN(CCC(=O)[O-])Cc1csc(-c2ccccc2)n1 ZINC000037932833 372740226 /nfs/dbraw/zinc/74/02/26/372740226.db2.gz GGONNIMCEDDIIY-UHFFFAOYSA-N -1 1 276.361 2.717 20 0 CFADMM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1ccoc1 ZINC000431638186 383686629 /nfs/dbraw/zinc/68/66/29/383686629.db2.gz KFJIZHINZCDBOO-LLVKDONJSA-N -1 1 287.287 2.564 20 0 CFADMM 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O=C(CC1=CCCCC1)NCc1n[n-]c(=S)n1C1CC1 ZINC000066637635 373943288 /nfs/dbraw/zinc/94/32/88/373943288.db2.gz FIIBCZBWAPNKHM-UHFFFAOYSA-N -1 1 292.408 2.782 20 0 CFADMM CCC(C)(C)C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066640737 373944884 /nfs/dbraw/zinc/94/48/84/373944884.db2.gz HVHPSRNRAFVAEM-UHFFFAOYSA-N -1 1 270.402 2.574 20 0 CFADMM O=C([O-])[C@H]1CCCCN1Cc1cc(F)ccc1Cl ZINC000124443172 304179976 /nfs/dbraw/zinc/17/99/76/304179976.db2.gz GOKJJYNPXWSDPS-GFCCVEGCSA-N -1 1 271.719 2.918 20 0 CFADMM O=C(NCc1cscn1)c1ccc2ccccc2c1[O-] ZINC000070168257 374135509 /nfs/dbraw/zinc/13/55/09/374135509.db2.gz DCECTLNUUFRDIE-UHFFFAOYSA-N -1 1 284.340 2.932 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2cccnc2C)cc1C ZINC000072913657 374303122 /nfs/dbraw/zinc/30/31/22/374303122.db2.gz XHHOQUXFBGFBLZ-UHFFFAOYSA-N -1 1 276.361 2.808 20 0 CFADMM CC(C)C1CN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000677929811 541926842 /nfs/dbraw/zinc/92/68/42/541926842.db2.gz AQBMEAJTRJBLQP-UHFFFAOYSA-N -1 1 298.180 2.883 20 0 CFADMM Cc1cc(F)cc(-c2nc3cccnc3c(=O)[n-]2)c1 ZINC000491594626 541928259 /nfs/dbraw/zinc/92/82/59/541928259.db2.gz SAOJKTDWJSKXEW-UHFFFAOYSA-N -1 1 255.252 2.845 20 0 CFADMM CSc1n[nH]c(NC(=O)/C=C\SCc2ccco2)n1 ZINC000492058798 246169820 /nfs/dbraw/zinc/16/98/20/246169820.db2.gz QLFYDURNZDJCDG-XQRVVYSFSA-N -1 1 296.377 2.505 20 0 CFADMM CSc1cc([N-]S(=O)(=O)c2ccccc2C)ccn1 ZINC000678029770 541938244 /nfs/dbraw/zinc/93/82/44/541938244.db2.gz FQXCVEWEZHUJDV-UHFFFAOYSA-N -1 1 294.401 2.913 20 0 CFADMM O=C([O-])[C@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000263385826 304184241 /nfs/dbraw/zinc/18/42/41/304184241.db2.gz DRRVDTQAGPFEFI-JTQLQIEISA-N -1 1 274.295 2.675 20 0 CFADMM O=C([N-]c1cnoc1)c1csc(-c2ncccc2F)n1 ZINC000678199611 541971351 /nfs/dbraw/zinc/97/13/51/541971351.db2.gz KFGNVMOTRLUNCL-UHFFFAOYSA-N -1 1 290.279 2.585 20 0 CFADMM COC[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000081067008 374684114 /nfs/dbraw/zinc/68/41/14/374684114.db2.gz KLFJZJJXRUMBQR-LBPRGKRZSA-N -1 1 285.343 2.654 20 0 CFADMM COc1ccc(C(=O)Nc2ccc3c(c2)COC3)c([O-])c1 ZINC000092048514 375085826 /nfs/dbraw/zinc/08/58/26/375085826.db2.gz SKEAVQCYXFHPPB-UHFFFAOYSA-N -1 1 285.299 2.683 20 0 CFADMM COc1ccc(F)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000091700861 375058472 /nfs/dbraw/zinc/05/84/72/375058472.db2.gz XMUDSVHWTDZFSQ-UHFFFAOYSA-N -1 1 279.242 2.931 20 0 CFADMM O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc2ccccc2c1[O-] ZINC000092757295 375150438 /nfs/dbraw/zinc/15/04/38/375150438.db2.gz IFBKCZLZSDXCLH-CZUORRHYSA-N -1 1 299.370 2.826 20 0 CFADMM CC[C@@H](CCO)CNC(=O)c1ccc2ccccc2c1[O-] ZINC000094959235 375398878 /nfs/dbraw/zinc/39/88/78/375398878.db2.gz ZOLAYKYGKXKTPJ-LBPRGKRZSA-N -1 1 287.359 2.684 20 0 CFADMM COC[C@@H](C)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000094842275 375385132 /nfs/dbraw/zinc/38/51/32/375385132.db2.gz CUIAUYOVLHMJOP-QMMMGPOBSA-N -1 1 257.717 2.657 20 0 CFADMM O=C(C[C@H]1CCCCO1)Nc1ccc([O-])c(Cl)c1 ZINC000094842278 375385266 /nfs/dbraw/zinc/38/52/66/375385266.db2.gz WOPUYTWGYYPAIO-SNVBAGLBSA-N -1 1 269.728 2.943 20 0 CFADMM Cc1nc2ccc(NC(=O)c3cncc([O-])c3)cc2s1 ZINC000111776680 375871066 /nfs/dbraw/zinc/87/10/66/375871066.db2.gz ANBBCTULOBXLEF-UHFFFAOYSA-N -1 1 285.328 2.958 20 0 CFADMM CCS[C@H]1CCCCN(C(=O)c2cncc([O-])c2)C1 ZINC000112118106 375885773 /nfs/dbraw/zinc/88/57/73/375885773.db2.gz HVHDJXGPDDJTMY-ZDUSSCGKSA-N -1 1 280.393 2.535 20 0 CFADMM O=C(Nc1cccc(-n2cccc2)c1)c1cncc([O-])c1 ZINC000111776424 375868784 /nfs/dbraw/zinc/86/87/84/375868784.db2.gz ZHZADTGVMPBMJS-UHFFFAOYSA-N -1 1 279.299 2.830 20 0 CFADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000112889330 375973617 /nfs/dbraw/zinc/97/36/17/375973617.db2.gz VCNGWBHEDFNWCS-OUCADQQQSA-N -1 1 297.301 2.643 20 0 CFADMM Cc1cc([N-]S(=O)(=O)c2cccc3cnccc32)ccn1 ZINC000112496110 375925237 /nfs/dbraw/zinc/92/52/37/375925237.db2.gz DUFPHQRYDHQKLW-UHFFFAOYSA-N -1 1 299.355 2.739 20 0 CFADMM C[N@@H+](CCCCC(=O)[O-])Cc1ccc(F)cc1F ZINC000258827333 190038343 /nfs/dbraw/zinc/03/83/43/190038343.db2.gz GUHXEWNIRRVWED-UHFFFAOYSA-N -1 1 257.280 2.652 20 0 CFADMM COC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000113435401 376016934 /nfs/dbraw/zinc/01/69/34/376016934.db2.gz YLFHVAKWSJTONL-SNVBAGLBSA-N -1 1 283.755 2.544 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000113993290 376044849 /nfs/dbraw/zinc/04/48/49/376044849.db2.gz XBDMUTGWZJGFCM-LNLATYFQSA-N -1 1 267.712 2.552 20 0 CFADMM Cc1cccc([C@H](C)NC(=O)c2cncc([O-])c2)c1C ZINC000115726156 376148010 /nfs/dbraw/zinc/14/80/10/376148010.db2.gz YRVOPYOZWKHDDE-LBPRGKRZSA-N -1 1 270.332 2.895 20 0 CFADMM C[C@H](Oc1cccnc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000117991809 376270679 /nfs/dbraw/zinc/27/06/79/376270679.db2.gz CRAMUGJZROANMS-VIFPVBQESA-N -1 1 292.722 2.847 20 0 CFADMM Cc1ccc(NC(=O)[C@@H](C)N2CCCCCC2)c(O)c1 ZINC000118760516 376313494 /nfs/dbraw/zinc/31/34/94/376313494.db2.gz TWUPLXAUCLFJJH-CYBMUJFWSA-N -1 1 276.380 2.904 20 0 CFADMM O=C(N[C@@H]1CCCc2occc21)c1c([O-])cccc1F ZINC000119348241 376398580 /nfs/dbraw/zinc/39/85/80/376398580.db2.gz HKAJTPXHHYRDEY-LLVKDONJSA-N -1 1 275.279 2.932 20 0 CFADMM CC(C)C[C@@H]1COCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263574295 190069398 /nfs/dbraw/zinc/06/93/98/190069398.db2.gz NKXNFPZYDXIVSP-OAHLLOKOSA-N -1 1 277.364 2.632 20 0 CFADMM CO[C@@H](C)CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000263736872 190076127 /nfs/dbraw/zinc/07/61/27/190076127.db2.gz DIQLCQPEXRFJAP-NSHDSACASA-N -1 1 273.332 2.700 20 0 CFADMM CN(CCC(=O)[O-])Cc1csc(-c2ccc(F)cc2)n1 ZINC000262681143 190061041 /nfs/dbraw/zinc/06/10/41/190061041.db2.gz WBOWJXVWXKUIEH-UHFFFAOYSA-N -1 1 294.351 2.856 20 0 CFADMM Cn1ccnc1-c1cc(NC(=O)CC2CCCCC2)[nH]n1 ZINC000119907264 376502252 /nfs/dbraw/zinc/50/22/52/376502252.db2.gz RPBGLZPGJUODRK-UHFFFAOYSA-N -1 1 287.367 2.719 20 0 CFADMM CO[C@@H](C)CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000263804863 190079702 /nfs/dbraw/zinc/07/97/02/190079702.db2.gz PFPQDITXHYLRND-NSHDSACASA-N -1 1 273.332 2.700 20 0 CFADMM CC(C)(C)c1nsc([N-]C(=O)c2cc(C3CC3)on2)n1 ZINC000264173968 190093853 /nfs/dbraw/zinc/09/38/53/190093853.db2.gz KHGUDUIDJWHVRC-UHFFFAOYSA-N -1 1 292.364 2.953 20 0 CFADMM CS[C@H]1CCCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000123201749 376949779 /nfs/dbraw/zinc/94/97/79/376949779.db2.gz YIDZJQJXVYSOKE-NSHDSACASA-N -1 1 283.368 2.889 20 0 CFADMM O=C([O-])CCCN1CC(OCc2cccc3ccccc32)C1 ZINC000126798995 377247189 /nfs/dbraw/zinc/24/71/89/377247189.db2.gz OTTJTCLZOHJFAJ-UHFFFAOYSA-N -1 1 299.370 2.905 20 0 CFADMM Cc1cc(NC(=O)c2cc(-c3ccco3)n[nH]2)ccn1 ZINC000127952810 377310006 /nfs/dbraw/zinc/31/00/06/377310006.db2.gz CDDRGWSWOKRWKV-UHFFFAOYSA-N -1 1 268.276 2.625 20 0 CFADMM COCCCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129607014 377451372 /nfs/dbraw/zinc/45/13/72/377451372.db2.gz GEMWQJBXWZUTGT-UHFFFAOYSA-N -1 1 257.717 2.801 20 0 CFADMM CSc1n[nH]c(NC(=O)C[C@H](C)c2ccccc2C)n1 ZINC000265262990 190170066 /nfs/dbraw/zinc/17/00/66/190170066.db2.gz JNBHATVUVXKSAV-JTQLQIEISA-N -1 1 290.392 2.967 20 0 CFADMM CC[C@@H]1C[C@@H](C(=O)Nc2c([O-])cccc2F)CCO1 ZINC000679560554 542208839 /nfs/dbraw/zinc/20/88/39/542208839.db2.gz OBXRDQOMLOGQLU-VHSXEESVSA-N -1 1 267.300 2.675 20 0 CFADMM C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C1CC1 ZINC000133908151 377967532 /nfs/dbraw/zinc/96/75/32/377967532.db2.gz RROLXNQYVQZPDG-SECBINFHSA-N -1 1 265.334 2.510 20 0 CFADMM CC(C)(CO)CCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000135512004 378141161 /nfs/dbraw/zinc/14/11/61/378141161.db2.gz ZIBMFFBPRWBYAN-UHFFFAOYSA-N -1 1 285.771 2.574 20 0 CFADMM CCC[C@H](NC(=O)c1oc2ccccc2c1C)c1nn[n-]n1 ZINC000136625767 378204259 /nfs/dbraw/zinc/20/42/59/378204259.db2.gz RVUHVNQCTYHDJS-NSHDSACASA-N -1 1 299.334 2.526 20 0 CFADMM CC1(C)C[C@@H](NC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000148580326 378257725 /nfs/dbraw/zinc/25/77/25/378257725.db2.gz WBFSUPLXGZWJMI-JTQLQIEISA-N -1 1 283.755 2.733 20 0 CFADMM Cc1ccc(CN(C)C(=O)c2cc(F)ccc2[O-])o1 ZINC000149001446 378262741 /nfs/dbraw/zinc/26/27/41/378262741.db2.gz LOYZYOZIOFFOMO-UHFFFAOYSA-N -1 1 263.268 2.705 20 0 CFADMM C[C@@H]1CCC[C@H](CC(=O)Nc2n[n-]c(C(F)(F)F)n2)C1 ZINC000153942414 378524800 /nfs/dbraw/zinc/52/48/00/378524800.db2.gz GSYMNIYHRBAHKZ-SFYZADRCSA-N -1 1 290.289 2.978 20 0 CFADMM Cc1nc(-c2cccc(NC(=O)c3ccccc3[O-])c2)n[nH]1 ZINC000154695437 378589556 /nfs/dbraw/zinc/58/95/56/378589556.db2.gz WACQRFNHHNYPQS-UHFFFAOYSA-N -1 1 294.314 2.738 20 0 CFADMM CO[C@@H](C)c1nc(=NC[C@H]2CCCC2(C)C)s[n-]1 ZINC000338808141 220254561 /nfs/dbraw/zinc/25/45/61/220254561.db2.gz HVMFTUXDCPZSJM-VHSXEESVSA-N -1 1 269.414 2.906 20 0 CFADMM CC(C)(C)C(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000331527340 378701268 /nfs/dbraw/zinc/70/12/68/378701268.db2.gz TYLJLFGEYVACEH-UHFFFAOYSA-N -1 1 266.366 2.767 20 0 CFADMM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000332601599 378779398 /nfs/dbraw/zinc/77/93/98/378779398.db2.gz NMEOXVPUBBEPIY-PIGZYNQJSA-N -1 1 299.374 2.622 20 0 CFADMM C[C@H](C(=O)Nc1ccc(F)cc1[O-])c1cccnc1 ZINC000334207044 378925448 /nfs/dbraw/zinc/92/54/48/378925448.db2.gz DPSRUTRPSYIVIZ-VIFPVBQESA-N -1 1 260.268 2.669 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC=C(c2ccncc2)C1 ZINC000334254767 378987454 /nfs/dbraw/zinc/98/74/54/378987454.db2.gz NHCKIDRIRUCWQU-UHFFFAOYSA-N -1 1 298.317 2.856 20 0 CFADMM CN(Cc1ccco1)C(=O)c1c(F)ccc([O-])c1F ZINC000334323232 379093938 /nfs/dbraw/zinc/09/39/38/379093938.db2.gz JLTOVMCMHAXFOU-UHFFFAOYSA-N -1 1 267.231 2.536 20 0 CFADMM C[C@@H](C[N-]C(=O)C(F)(F)F)Sc1ccccc1 ZINC000266392384 190253818 /nfs/dbraw/zinc/25/38/18/190253818.db2.gz IMXCJQIBTFRXKI-QMMMGPOBSA-N -1 1 263.284 2.846 20 0 CFADMM C[C@H](C[N-]C(=O)C(F)(F)F)Sc1ccccc1 ZINC000266392383 190253863 /nfs/dbraw/zinc/25/38/63/190253863.db2.gz IMXCJQIBTFRXKI-MRVPVSSYSA-N -1 1 263.284 2.846 20 0 CFADMM C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000335378759 379190790 /nfs/dbraw/zinc/19/07/90/379190790.db2.gz NOUCRDGYCWDKPD-TZMCWYRMSA-N -1 1 299.370 2.778 20 0 CFADMM C[C@@H]1CCC[C@@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000334401094 379234772 /nfs/dbraw/zinc/23/47/72/379234772.db2.gz FKQJZHAUWCJRQF-APPZFPTMSA-N -1 1 255.264 2.589 20 0 CFADMM C[C@@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)CCS1 ZINC000334416997 379261467 /nfs/dbraw/zinc/26/14/67/379261467.db2.gz OMARGMOXYRSEAJ-MRVPVSSYSA-N -1 1 287.331 2.638 20 0 CFADMM O=C(Nc1ccccc1O)c1c(F)ccc([O-])c1F ZINC000334417919 379262549 /nfs/dbraw/zinc/26/25/49/379262549.db2.gz YGUYYLLDJPWLDG-UHFFFAOYSA-N -1 1 265.215 2.628 20 0 CFADMM Cc1ncccc1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000334460846 379340199 /nfs/dbraw/zinc/34/01/99/379340199.db2.gz VDNAETNLMZBYGZ-UHFFFAOYSA-N -1 1 276.723 2.930 20 0 CFADMM C[C@H](N=c1[n-]c(C(N)=O)cs1)[C@@H](C)C1CCCCC1 ZINC000432309310 383736098 /nfs/dbraw/zinc/73/60/98/383736098.db2.gz AQZBESFBGZTJJP-ZJUUUORDSA-N -1 1 281.425 2.681 20 0 CFADMM O=S(=O)([N-][C@H]1CC[C@@H](F)C1)c1ccc(Cl)s1 ZINC000334503504 379408256 /nfs/dbraw/zinc/40/82/56/379408256.db2.gz OSZJRUPXYKJRLP-RQJHMYQMSA-N -1 1 283.777 2.570 20 0 CFADMM O=C(NCC12CCC(CC1)C2)c1c(F)ccc([O-])c1F ZINC000334584014 379575323 /nfs/dbraw/zinc/57/53/23/379575323.db2.gz WZYNNDQBUWHJTA-UHFFFAOYSA-N -1 1 281.302 2.981 20 0 CFADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1c(F)cccc1F ZINC000334602102 379605151 /nfs/dbraw/zinc/60/51/51/379605151.db2.gz JSWWFPIEHBKHAE-NXEZZACHSA-N -1 1 269.291 2.650 20 0 CFADMM CCCN(CC)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000267043197 190299285 /nfs/dbraw/zinc/29/92/85/190299285.db2.gz UODUTLWPHHEBDF-UHFFFAOYSA-N -1 1 279.384 2.660 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]1c1ncc[nH]1 ZINC000335666170 379685279 /nfs/dbraw/zinc/68/52/79/379685279.db2.gz WCUCEPHXLVYQRS-NSHDSACASA-N -1 1 291.738 2.746 20 0 CFADMM Cc1cnc(C(=O)N(C)Cc2cccc(F)c2)c([O-])c1 ZINC000335653133 379668913 /nfs/dbraw/zinc/66/89/13/379668913.db2.gz YLGRXXXTSSJMDT-UHFFFAOYSA-N -1 1 274.295 2.507 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000335661241 379678456 /nfs/dbraw/zinc/67/84/56/379678456.db2.gz FRSMTMBHGZTPFZ-ABAIWWIYSA-N -1 1 293.338 2.563 20 0 CFADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@@H]1C1CC1 ZINC000334666111 379734101 /nfs/dbraw/zinc/73/41/01/379734101.db2.gz NDYWCTRHBJQUQV-LLVKDONJSA-N -1 1 296.164 2.779 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H]1C1CC1 ZINC000334665989 379734578 /nfs/dbraw/zinc/73/45/78/379734578.db2.gz HGVQWNVGEDUWOU-NSHDSACASA-N -1 1 251.713 2.670 20 0 CFADMM Cc1nc(NC(=O)c2c(F)ccc([O-])c2F)cs1 ZINC000335729767 379795554 /nfs/dbraw/zinc/79/55/54/379795554.db2.gz LUBBRKGMCLEQHW-UHFFFAOYSA-N -1 1 270.260 2.688 20 0 CFADMM CCC1(CC)CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000334710965 379807233 /nfs/dbraw/zinc/80/72/33/379807233.db2.gz NOSGBGWYVZVTQO-UHFFFAOYSA-N -1 1 299.374 2.575 20 0 CFADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2F)c(F)c1 ZINC000335751359 379829534 /nfs/dbraw/zinc/82/95/34/379829534.db2.gz QCMLGTZNAYRSSQ-UHFFFAOYSA-N -1 1 299.298 2.774 20 0 CFADMM Cc1ccccc1C1=CCN(C(=O)c2ncccc2[O-])C1 ZINC000335749195 379828348 /nfs/dbraw/zinc/82/83/48/379828348.db2.gz YJKABYNRQWRQTP-UHFFFAOYSA-N -1 1 280.327 2.635 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000334757016 379892156 /nfs/dbraw/zinc/89/21/56/379892156.db2.gz NBZJNFZVSASVRY-DZGCQCFKSA-N 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HXXBXFVZADRBPM-LBPRGKRZSA-N -1 1 270.332 2.929 20 0 CFADMM Cc1cnc(C(=O)N(C)[C@H]2CCc3ccccc3C2)c([O-])c1 ZINC000336024152 380254378 /nfs/dbraw/zinc/25/43/78/380254378.db2.gz OSJJZZCKFYGYQG-HNNXBMFYSA-N -1 1 296.370 2.725 20 0 CFADMM Cc1cnc(C(=O)N2CCC[C@H]3CCC[C@H]32)c([O-])c1 ZINC000336400333 380339575 /nfs/dbraw/zinc/33/95/75/380339575.db2.gz XNIWBBOGSDCPGH-VXGBXAGGSA-N -1 1 260.337 2.500 20 0 CFADMM C[C@@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)[C@@H]1c1ccccc1 ZINC000336436147 380346403 /nfs/dbraw/zinc/34/64/03/380346403.db2.gz IFOVTPDGAIVHOL-WBMJQRKESA-N -1 1 295.338 2.795 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1COc2ccccc21 ZINC000336550902 380454892 /nfs/dbraw/zinc/45/48/92/380454892.db2.gz XIVGLXBAOMDZDS-NSHDSACASA-N -1 1 273.263 2.646 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCCc2occc2C1 ZINC000336521099 380404269 /nfs/dbraw/zinc/40/42/69/380404269.db2.gz HAGMLPCNUKQBJM-UHFFFAOYSA-N -1 1 275.279 2.713 20 0 CFADMM Cc1ccc(F)c(CN(C)C(=O)c2ncccc2[O-])c1 ZINC000336525535 380411848 /nfs/dbraw/zinc/41/18/48/380411848.db2.gz YAIRNBXVTQSXTH-UHFFFAOYSA-N -1 1 274.295 2.507 20 0 CFADMM O=C(Nc1cccc(-c2ncco2)c1)c1cncc([O-])c1 ZINC000179204914 380519517 /nfs/dbraw/zinc/51/95/17/380519517.db2.gz XIEOXZLZWBNAST-UHFFFAOYSA-N -1 1 281.271 2.695 20 0 CFADMM CCc1nn(C)cc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000336568918 380480227 /nfs/dbraw/zinc/48/02/27/380480227.db2.gz SQYYFSAHOOPAPI-UHFFFAOYSA-N -1 1 294.742 2.986 20 0 CFADMM O=C(NCc1ccccc1F)c1ccc([O-])cc1F ZINC000181054956 380730761 /nfs/dbraw/zinc/73/07/61/380730761.db2.gz ZPSXCQRLEHIGSN-UHFFFAOYSA-N -1 1 263.243 2.600 20 0 CFADMM Cc1cc2c(cc1NC(=O)c1ccccc1[O-])OCO2 ZINC000181324665 380776361 /nfs/dbraw/zinc/77/63/61/380776361.db2.gz ZZXKPFYRXFDPOG-UHFFFAOYSA-N -1 1 271.272 2.682 20 0 CFADMM Cc1cc(CN(C)Cc2cccc([O-])c2Cl)no1 ZINC000295479271 380882912 /nfs/dbraw/zinc/88/29/12/380882912.db2.gz XBUBMOKNXZBJHH-UHFFFAOYSA-N -1 1 266.728 2.974 20 0 CFADMM CSCCCC(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000347031036 380893908 /nfs/dbraw/zinc/89/39/08/380893908.db2.gz DIWRLNGMZJFGHQ-UHFFFAOYSA-N -1 1 295.433 2.950 20 0 CFADMM CC(F)(F)CCCNC(=O)c1cc(F)ccc1[O-] ZINC000295583553 380956593 /nfs/dbraw/zinc/95/65/93/380956593.db2.gz NNRDEHUUTKDDAI-UHFFFAOYSA-N -1 1 261.243 2.697 20 0 CFADMM CC[C@@H](NC(=O)c1ncccc1[O-])c1cc(F)ccc1F ZINC000358614503 380970557 /nfs/dbraw/zinc/97/05/57/380970557.db2.gz HXKPWNHRCQCNCB-GFCCVEGCSA-N -1 1 292.285 2.947 20 0 CFADMM Cc1cnc(C(=O)N[C@@H](c2ncccc2C)C(C)C)c([O-])c1 ZINC000358632205 380980954 /nfs/dbraw/zinc/98/09/54/380980954.db2.gz PEJLXGHQMMCIEN-CQSZACIVSA-N -1 1 299.374 2.926 20 0 CFADMM CC(C)OCCCN(C)C(=O)c1c(F)ccc([O-])c1F ZINC000289639481 381081448 /nfs/dbraw/zinc/08/14/48/381081448.db2.gz XKMAJKFLCFMDQQ-UHFFFAOYSA-N -1 1 287.306 2.558 20 0 CFADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1)OCO2 ZINC000358883962 381137461 /nfs/dbraw/zinc/13/74/61/381137461.db2.gz VJOVFJDJAQPKQE-UHFFFAOYSA-N -1 1 291.328 2.525 20 0 CFADMM COc1ccc(F)c([N-]S(=O)(=O)c2cc(C)oc2C)c1 ZINC000182815469 381163949 /nfs/dbraw/zinc/16/39/49/381163949.db2.gz YZJBXVBFPMLTJH-UHFFFAOYSA-N -1 1 299.323 2.845 20 0 CFADMM CC(C)(C)SCCNC(=O)c1c(F)ccc([O-])c1F ZINC000289848073 381185714 /nfs/dbraw/zinc/18/57/14/381185714.db2.gz VEDFLTWDLCAIOG-UHFFFAOYSA-N -1 1 289.347 2.932 20 0 CFADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc2nn[nH]c21 ZINC000183335062 381255912 /nfs/dbraw/zinc/25/59/12/381255912.db2.gz YKTBQKFRLRGMST-SNVBAGLBSA-N -1 1 298.321 2.930 20 0 CFADMM CCOC(=O)c1cc(NC(=O)C2CCC(C)(C)CC2)n[nH]1 ZINC000183290288 381250511 /nfs/dbraw/zinc/25/05/11/381250511.db2.gz SSWSBFVAFZZBSU-UHFFFAOYSA-N -1 1 293.367 2.741 20 0 CFADMM C[C@@H](CC(=O)Nc1ccc([O-])c(F)c1F)c1cnn(C)c1 ZINC000412398535 381286709 /nfs/dbraw/zinc/28/67/09/381286709.db2.gz GREIFLJJINKWHB-QMMMGPOBSA-N -1 1 295.289 2.536 20 0 CFADMM CCCC[C@H](COC)N=c1nc(C(F)(F)F)[n-]s1 ZINC000342407971 381315339 /nfs/dbraw/zinc/31/53/39/381315339.db2.gz AGBQLNCHPXQGDC-SSDOTTSWSA-N -1 1 283.319 2.596 20 0 CFADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(F)cn1 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O=C(c1cc(F)ccc1[O-])N1CCc2c1cccc2F ZINC000184298281 381399494 /nfs/dbraw/zinc/39/94/94/381399494.db2.gz FZEKNUUZSCMQPH-UHFFFAOYSA-N -1 1 275.254 2.873 20 0 CFADMM CC1(C)CN(C(=O)c2cncc([O-])c2)CC(C)(C)C1 ZINC000354776450 381447168 /nfs/dbraw/zinc/44/71/68/381447168.db2.gz YKUXFXSVUCELAG-UHFFFAOYSA-N -1 1 262.353 2.686 20 0 CFADMM Cc1noc([N-]C(=O)c2ccc(F)c(Cl)c2F)n1 ZINC000184453937 381419104 /nfs/dbraw/zinc/41/91/04/381419104.db2.gz WKTFZSGIRWZUAH-UHFFFAOYSA-N -1 1 273.626 2.562 20 0 CFADMM Cc1ccc(-c2n[nH]c(NC(=O)c3c(C)coc3C)n2)o1 ZINC000354913048 381518501 /nfs/dbraw/zinc/51/85/01/381518501.db2.gz UKRVNWZAZAWBCU-UHFFFAOYSA-N -1 1 286.291 2.835 20 0 CFADMM Cc1ccc(-c2n[nH]c(NC(=O)c3occ4c3CCC4)n2)o1 ZINC000354914447 381518794 /nfs/dbraw/zinc/51/87/94/381518794.db2.gz WWUYCUGOTKWQSQ-UHFFFAOYSA-N -1 1 298.302 2.707 20 0 CFADMM CCC[C@@H](N[C@H](C)C(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000185063539 381526468 /nfs/dbraw/zinc/52/64/68/381526468.db2.gz LRCZTDGABYPMLA-BXKDBHETSA-N -1 1 298.770 2.510 20 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CFADMM C[C@H](Cc1ccncc1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436575256 383841755 /nfs/dbraw/zinc/84/17/55/383841755.db2.gz NGZXVHLXVDOZRM-SNVBAGLBSA-N -1 1 290.750 2.802 20 0 CFADMM C[C@H](C[C@@H]1CCCO1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436717763 383879496 /nfs/dbraw/zinc/87/94/96/383879496.db2.gz CWEQWASKVKOQEH-KOLCDFICSA-N -1 1 283.755 2.733 20 0 CFADMM CO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436589639 383847531 /nfs/dbraw/zinc/84/75/31/383847531.db2.gz KVGMZPVPLMWZES-DGCLKSJQSA-N -1 1 283.755 2.733 20 0 CFADMM Cc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1O ZINC000436601891 383852759 /nfs/dbraw/zinc/85/27/59/383852759.db2.gz IITFRPVJPIMYFM-UHFFFAOYSA-N -1 1 261.252 2.798 20 0 CFADMM CCc1ccnc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000436619642 383854967 /nfs/dbraw/zinc/85/49/67/383854967.db2.gz SGSJSMKUQFCGJA-UHFFFAOYSA-N -1 1 260.268 2.741 20 0 CFADMM O=C(Nc1cccc(-n2cccn2)c1)c1ccc(O)cc1[O-] ZINC000436625429 383856978 /nfs/dbraw/zinc/85/69/78/383856978.db2.gz OQMSNWLUYLQTAR-UHFFFAOYSA-N -1 1 295.298 2.536 20 0 CFADMM CCCCn1ncc(NC(=O)c2ccc(O)cc2[O-])c1C ZINC000436631868 383859683 /nfs/dbraw/zinc/85/96/83/383859683.db2.gz XLQJHEIIUKTPCI-UHFFFAOYSA-N -1 1 289.335 2.655 20 0 CFADMM C[C@H](CCc1ccccc1)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436675275 383870403 /nfs/dbraw/zinc/87/04/03/383870403.db2.gz KLDQBJHYPRAEMI-CYBMUJFWSA-N -1 1 297.354 2.712 20 0 CFADMM Cc1cc(C)cc(CCNC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436699495 383874045 /nfs/dbraw/zinc/87/40/45/383874045.db2.gz QXEDMBPFPYEXSB-UHFFFAOYSA-N -1 1 297.354 2.551 20 0 CFADMM CC[C@]1(C)COCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436710239 383878168 /nfs/dbraw/zinc/87/81/68/383878168.db2.gz RIAIBGPIUDCRBV-CQSZACIVSA-N -1 1 283.755 2.687 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000436725854 383882468 /nfs/dbraw/zinc/88/24/68/383882468.db2.gz RZRIQYBOGMBRHF-CULMDFNYSA-N -1 1 289.331 2.554 20 0 CFADMM CC[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436749834 383890289 /nfs/dbraw/zinc/89/02/89/383890289.db2.gz CLQQVEXDWUFBSF-ZETCQYMHSA-N 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/nfs/dbraw/zinc/99/13/33/383991333.db2.gz MPJHKZRIXIVBFM-UHFFFAOYSA-N -1 1 299.330 2.968 20 0 CFADMM CCCC[C@@H](CC)CC(=O)Nc1c(C)[n-][nH]c1=O ZINC000646412395 383991672 /nfs/dbraw/zinc/99/16/72/383991672.db2.gz GVGJWPRQLGMDSC-SNVBAGLBSA-N -1 1 253.346 2.969 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc2ccccc2c1 ZINC000646411388 383992098 /nfs/dbraw/zinc/99/20/98/383992098.db2.gz DUOKQLKJIYFBPA-UHFFFAOYSA-N -1 1 267.288 2.829 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cc(Br)c[nH]1 ZINC000532012258 383959727 /nfs/dbraw/zinc/95/97/27/383959727.db2.gz CBVITQYHZHFPQN-UHFFFAOYSA-N -1 1 299.099 2.874 20 0 CFADMM O=c1cc(C(F)(F)F)nc(SC[C@@H]2CCCOC2)[n-]1 ZINC000532708182 384060974 /nfs/dbraw/zinc/06/09/74/384060974.db2.gz KNUOUCZOJGEOQP-SSDOTTSWSA-N -1 1 294.298 2.720 20 0 CFADMM Cc1ccoc1CN(C)C(=O)c1ccc([O-])c(F)c1 ZINC000647001806 384109743 /nfs/dbraw/zinc/10/97/43/384109743.db2.gz JWVGWDOVTXSJPS-UHFFFAOYSA-N -1 1 263.268 2.705 20 0 CFADMM CC(C)(C)CCS(=O)(=O)[N-]c1cc(F)cc(F)c1O ZINC000641692080 384271008 /nfs/dbraw/zinc/27/10/08/384271008.db2.gz KKSGYFULBMCRSV-UHFFFAOYSA-N -1 1 293.335 2.848 20 0 CFADMM C[C@@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)C(F)F ZINC000641704343 384275513 /nfs/dbraw/zinc/27/55/13/384275513.db2.gz FEDMEWDBZBIKKB-GRZMOONWSA-N -1 1 281.368 2.530 20 0 CFADMM Cc1ccc(CNCc2ccc(C(=O)[O-])c(C)n2)s1 ZINC000277404028 384291806 /nfs/dbraw/zinc/29/18/06/384291806.db2.gz SCMWQUNEDPKFFV-UHFFFAOYSA-N -1 1 276.361 2.748 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000277676925 384371736 /nfs/dbraw/zinc/37/17/36/384371736.db2.gz SWXBNZCTSUOORT-QMMMGPOBSA-N -1 1 291.244 2.946 20 0 CFADMM CCC[C@H](C)NC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000642286352 384419456 /nfs/dbraw/zinc/41/94/56/384419456.db2.gz RNFKJJWXRCTXGC-VIFPVBQESA-N -1 1 273.336 2.562 20 0 CFADMM CCC[C@H](C)NC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000642286352 384419461 /nfs/dbraw/zinc/41/94/61/384419461.db2.gz RNFKJJWXRCTXGC-VIFPVBQESA-N -1 1 273.336 2.562 20 0 CFADMM C[C@H]1CC[C@H](CSc2nc(C3CC3)cc(=O)[n-]2)O1 ZINC000277835442 384420163 /nfs/dbraw/zinc/42/01/63/384420163.db2.gz YYQYNFZJYDIOPH-WCBMZHEXSA-N -1 1 266.366 2.719 20 0 CFADMM CC1(C)CN(C(=O)c2ccc([O-])c(F)c2)[C@H]1C1CC1 ZINC000642810387 384462551 /nfs/dbraw/zinc/46/25/51/384462551.db2.gz NDOIFERXFUVKOL-ZDUSSCGKSA-N -1 1 263.312 2.792 20 0 CFADMM [O-]c1ccc(-c2noc(CC[C@H]3CCOC3)n2)cc1F ZINC000278091513 384473325 /nfs/dbraw/zinc/47/33/25/384473325.db2.gz HHXXITWERCVWGD-VIFPVBQESA-N -1 1 278.283 2.550 20 0 CFADMM C[C@H]1C[C@@H](c2nc(-c3ccc([O-])cc3F)no2)CCO1 ZINC000278190856 384495656 /nfs/dbraw/zinc/49/56/56/384495656.db2.gz PAEVXRDOLUTSMV-IUCAKERBSA-N -1 1 278.283 2.864 20 0 CFADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1nc2c(s1)CCCC2 ZINC000643441805 384633471 /nfs/dbraw/zinc/63/34/71/384633471.db2.gz TXFUPOPUDJDEFI-GHMZBOCLSA-N -1 1 294.420 2.707 20 0 CFADMM CO[C@H](C(=O)Nc1c([O-])cccc1F)c1ccc(O)cc1 ZINC000680949776 542388164 /nfs/dbraw/zinc/38/81/64/542388164.db2.gz LGCZHIUVLHZZAE-AWEZNQCLSA-N -1 1 291.278 2.563 20 0 CFADMM O=C(CSC[C@@H]1CCCCO1)Nc1ccc(F)cc1[O-] ZINC000269032338 384715642 /nfs/dbraw/zinc/71/56/42/384715642.db2.gz MSJGIQCMMXFDHN-NSHDSACASA-N -1 1 299.367 2.772 20 0 CFADMM CC(C)(C)C[C@H](O)CC(=O)Nc1c([O-])cccc1F ZINC000644046418 384826883 /nfs/dbraw/zinc/82/68/83/384826883.db2.gz PQKZWRJOCZDSFW-SECBINFHSA-N -1 1 269.316 2.657 20 0 CFADMM O=c1nc(CSCc2ccc(C(F)(F)F)cc2)[nH][n-]1 ZINC000279998908 384844978 /nfs/dbraw/zinc/84/49/78/384844978.db2.gz RXKTVTAWPSTNBS-UHFFFAOYSA-N -1 1 289.282 2.550 20 0 CFADMM O=C(NC1(C(F)F)CCCC1)c1cc(F)ccc1[O-] ZINC000644559608 384935031 /nfs/dbraw/zinc/93/50/31/384935031.db2.gz QFFLIYNHIMVVJE-UHFFFAOYSA-N -1 1 273.254 2.839 20 0 CFADMM O=C(NC1(C(F)F)CCCC1)c1ccc([O-])c(F)c1 ZINC000644560595 384936291 /nfs/dbraw/zinc/93/62/91/384936291.db2.gz PBDUOHAMWGPXKG-UHFFFAOYSA-N -1 1 273.254 2.839 20 0 CFADMM COCCC1CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000644762457 385043566 /nfs/dbraw/zinc/04/35/66/385043566.db2.gz KQLFZSHFLKETPP-UHFFFAOYSA-N -1 1 285.343 2.654 20 0 CFADMM C[C@@H]1CCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC000281084981 385182487 /nfs/dbraw/zinc/18/24/87/385182487.db2.gz UWHUOFJCGRJAEO-SECBINFHSA-N -1 1 293.750 2.994 20 0 CFADMM CCC[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000282721397 385377350 /nfs/dbraw/zinc/37/73/50/385377350.db2.gz HHNVPRXTCXLPOJ-VIFPVBQESA-N -1 1 265.309 2.554 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H]1c1ccncc1 ZINC000681013982 542398671 /nfs/dbraw/zinc/39/86/71/542398671.db2.gz FGERHPXFRZVXRF-AWEZNQCLSA-N -1 1 286.306 2.904 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H]1c1ccncc1 ZINC000681013983 542398704 /nfs/dbraw/zinc/39/87/04/542398704.db2.gz FGERHPXFRZVXRF-CQSZACIVSA-N -1 1 286.306 2.904 20 0 CFADMM O=C(NCc1ccc(F)cc1)c1ccc([O-])c(F)c1 ZINC000681014235 542398854 /nfs/dbraw/zinc/39/88/54/542398854.db2.gz FQIFYXYXUPYRKV-UHFFFAOYSA-N -1 1 263.243 2.600 20 0 CFADMM CO[C@H](CNC(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000681016718 542399316 /nfs/dbraw/zinc/39/93/16/542399316.db2.gz BPWCNVULIHRJOE-OAHLLOKOSA-N -1 1 289.306 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394028621 /nfs/dbraw/zinc/02/86/21/394028621.db2.gz LJQSZEMQCLSVFY-UHFFFAOYSA-N -1 1 292.360 2.810 20 0 CFADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(F)c1 ZINC000421138899 394176958 /nfs/dbraw/zinc/17/69/58/394176958.db2.gz JCBZADPMZRDYGX-ZDUSSCGKSA-N -1 1 289.372 2.629 20 0 CFADMM CCCc1nc(=NC[C@@H]([NH3+])c2ccccc2CC)s[n-]1 ZINC000420277503 394113727 /nfs/dbraw/zinc/11/37/27/394113727.db2.gz MXTQGKKZTMTDNZ-CYBMUJFWSA-N -1 1 290.436 2.587 20 0 CFADMM Cc1noc(C)c1[C@H](C)CNC(=O)c1c([O-])cccc1F ZINC000130590438 394113895 /nfs/dbraw/zinc/11/38/95/394113895.db2.gz NUZVDBKXHBPHEK-MRVPVSSYSA-N -1 1 292.310 2.670 20 0 CFADMM Cc1cccc2nc(CNC(=O)c3ccc(F)cc3[O-])[nH]c21 ZINC000130660787 394116119 /nfs/dbraw/zinc/11/61/19/394116119.db2.gz AQMUXRZBJDQSCL-UHFFFAOYSA-N -1 1 299.305 2.646 20 0 CFADMM Cc1cccc2[nH]c(CNC(=O)c3c([O-])cccc3F)nc21 ZINC000131012150 394123560 /nfs/dbraw/zinc/12/35/60/394123560.db2.gz UZIZNJICQZFJCZ-UHFFFAOYSA-N -1 1 299.305 2.646 20 0 CFADMM 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/nfs/dbraw/zinc/28/83/95/414288395.db2.gz GNNULIOYLCYLLK-UHFFFAOYSA-N -1 1 285.771 2.978 20 0 CFADMM COCCCn1c(=O)[nH]nc1SCCC(C)(C)C1CC1 ZINC000655466260 414290372 /nfs/dbraw/zinc/29/03/72/414290372.db2.gz UJEISYHEWDRCHN-UHFFFAOYSA-N -1 1 299.440 2.939 20 0 CFADMM Cc1oc(C(=O)[O-])cc1CN1CCC(c2ccon2)CC1 ZINC000659801140 414558405 /nfs/dbraw/zinc/55/84/05/414558405.db2.gz DTPSHLNZZPDMBO-UHFFFAOYSA-N -1 1 290.319 2.654 20 0 CFADMM CC[C@H](C(=O)[O-])N1Cc2ccc(C)c(Br)c2C1 ZINC000659804255 414564043 /nfs/dbraw/zinc/56/40/43/414564043.db2.gz UVTMOWAYLJQKKM-LLVKDONJSA-N -1 1 298.180 2.936 20 0 CFADMM O=S(=O)([N-]CC1=CCCC1)c1cc(Cl)ccc1F ZINC000660037784 414653816 /nfs/dbraw/zinc/65/38/16/414653816.db2.gz JNMLGEWWDZORAK-UHFFFAOYSA-N -1 1 289.759 2.868 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1F ZINC000048652074 175441155 /nfs/dbraw/zinc/44/11/55/175441155.db2.gz HUXXTYYJHSFTBD-UHFFFAOYSA-N -1 1 265.309 2.935 20 0 CFADMM CO[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000076481602 177026535 /nfs/dbraw/zinc/02/65/35/177026535.db2.gz SSLDMMOTSIAMKB-CQSZACIVSA-N -1 1 285.343 2.796 20 0 CFADMM CC1(C)[C@H](NC(=O)c2ccc(Cl)cc2[O-])[C@H]2CCO[C@@H]21 ZINC000078160554 177325059 /nfs/dbraw/zinc/32/50/59/177325059.db2.gz ZUQDSXLFCAPIRW-RTXFEEFZSA-N -1 1 295.766 2.589 20 0 CFADMM C[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])[C@H]1C ZINC000128653092 299828726 /nfs/dbraw/zinc/82/87/26/299828726.db2.gz NXAXTKPWOAPNMF-UWVGGRQHSA-N -1 1 251.301 2.792 20 0 CFADMM C[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[O-])CS1 ZINC000397850752 270319843 /nfs/dbraw/zinc/31/98/43/270319843.db2.gz JUCSGYGAVZSDFX-APPZFPTMSA-N -1 1 271.769 2.669 20 0 CFADMM COCC(C)(C)CNC(=O)c1ccc2ccccc2c1[O-] ZINC000314105076 261574078 /nfs/dbraw/zinc/57/40/78/261574078.db2.gz FFJBGVVOCSKVBV-UHFFFAOYSA-N -1 1 287.359 2.948 20 0 CFADMM CCc1nc(S[C@H](C(C)=O)C(C)C)[n-]c(=O)c1C ZINC000519714159 265546770 /nfs/dbraw/zinc/54/67/70/265546770.db2.gz RWLAJCYZOVISPQ-NSHDSACASA-N -1 1 268.382 2.759 20 0 CFADMM C[C@@H]1CCC[C@H]1CNC(=O)c1c([O-])cccc1F ZINC000230688076 270259922 /nfs/dbraw/zinc/25/99/22/270259922.db2.gz FTXZPPMPZIBGDV-ZJUUUORDSA-N -1 1 251.301 2.697 20 0 CFADMM CCOC[C@@H]1CCCCN1C(=O)c1ccc([O-])cc1F ZINC000313443232 270290411 /nfs/dbraw/zinc/29/04/11/270290411.db2.gz LTOGCVWUKYIYAR-NSHDSACASA-N -1 1 281.327 2.563 20 0 CFADMM [O-]c1cccc(C[NH2+]CCCF)c1Br ZINC000315731690 270293685 /nfs/dbraw/zinc/29/36/85/270293685.db2.gz ORNLKCPZSZIPHJ-UHFFFAOYSA-N -1 1 262.122 2.604 20 0 CFADMM C[C@H](C1CCC1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000325392693 270299425 /nfs/dbraw/zinc/29/94/25/270299425.db2.gz IFXFODZFFZQNBF-SECBINFHSA-N -1 1 251.301 2.792 20 0 CFADMM CO[C@H](C)c1nc(=NC[C@@H]2CCCCC2(F)F)s[n-]1 ZINC000390914940 270306097 /nfs/dbraw/zinc/30/60/97/270306097.db2.gz COXAXPPSGPRYJD-BDAKNGLRSA-N -1 1 291.367 2.905 20 0 CFADMM CCc1nc(SCC(=O)[C@H](C)CC)[n-]c(=O)c1C ZINC000517177364 270399297 /nfs/dbraw/zinc/39/92/97/270399297.db2.gz PGYKKPWSRVHRJM-MRVPVSSYSA-N -1 1 268.382 2.760 20 0 CFADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1cccc(F)c1[O-] 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ZINC000340332096 280018258 /nfs/dbraw/zinc/01/82/58/280018258.db2.gz HXASPORVNBXMPV-UHFFFAOYSA-N -1 1 266.659 2.832 20 0 CFADMM C[C@H]1Cc2ccccc2N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000105378591 280029922 /nfs/dbraw/zinc/02/99/22/280029922.db2.gz BFCGECJSIRESQR-NSHDSACASA-N -1 1 283.327 2.937 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCOCC12CCC2 ZINC000156827553 280199640 /nfs/dbraw/zinc/19/96/40/280199640.db2.gz UAIQMPFVNVRJKA-UHFFFAOYSA-N -1 1 297.354 2.941 20 0 CFADMM CCCCOCCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000057613567 280453945 /nfs/dbraw/zinc/45/39/45/280453945.db2.gz GJFPGFLVHNQCOU-UHFFFAOYSA-N -1 1 285.771 2.982 20 0 CFADMM C[C@@H]1[C@@H](C)CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000075487545 280512265 /nfs/dbraw/zinc/51/22/65/280512265.db2.gz ZMXJOGDWSKFYDQ-WDEREUQCSA-N -1 1 285.347 2.596 20 0 CFADMM C[C@H]1C[C@H]1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000131782313 280722712 /nfs/dbraw/zinc/72/27/12/280722712.db2.gz AXMQDQOAYOBMFB-JQWIXIFHSA-N -1 1 255.317 2.931 20 0 CFADMM O=C(Nc1cccc(CCCO)c1)c1cc(F)ccc1[O-] ZINC000136270232 280782659 /nfs/dbraw/zinc/78/26/59/280782659.db2.gz MPTOCHLHLRBASH-UHFFFAOYSA-N -1 1 289.306 2.709 20 0 CFADMM CN(Cc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000148998727 280793438 /nfs/dbraw/zinc/79/34/38/280793438.db2.gz YMWNLPRIINAKJV-UHFFFAOYSA-N -1 1 259.280 2.804 20 0 CFADMM O=C(NCc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000149003289 280793537 /nfs/dbraw/zinc/79/35/37/280793537.db2.gz IFVVGJWDXPUSDZ-UHFFFAOYSA-N -1 1 263.243 2.600 20 0 CFADMM Cc1cccc(CCNC(=O)c2cc(F)ccc2[O-])c1 ZINC000149092785 280793674 /nfs/dbraw/zinc/79/36/74/280793674.db2.gz XQMVQVSFZKSVHC-UHFFFAOYSA-N -1 1 273.307 2.812 20 0 CFADMM CC(C)[C@H](CCO)NC(=O)c1cc2ccccc2cc1[O-] ZINC000151041356 280798592 /nfs/dbraw/zinc/79/85/92/280798592.db2.gz JSDTVRSBYCQYFM-HNNXBMFYSA-N -1 1 287.359 2.682 20 0 CFADMM Cc1nc(CCNC(=O)c2ccc(Cl)cc2[O-])cs1 ZINC000220212612 280933906 /nfs/dbraw/zinc/93/39/06/280933906.db2.gz OCYVNWWRBLVEFE-UHFFFAOYSA-N -1 1 296.779 2.783 20 0 CFADMM CC1(C)CC[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000228864619 280937059 /nfs/dbraw/zinc/93/70/59/280937059.db2.gz BIYRALXWWQBVEF-VIFPVBQESA-N -1 1 251.301 2.840 20 0 CFADMM CC[C@H]1CC[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000249194479 281051481 /nfs/dbraw/zinc/05/14/81/281051481.db2.gz ATUSKFHVCNCBFL-ZKCHVHJHSA-N -1 1 290.289 2.978 20 0 CFADMM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000344808180 281115911 /nfs/dbraw/zinc/11/59/11/281115911.db2.gz KEARVWUAINXBOT-VIFPVBQESA-N -1 1 293.310 2.571 20 0 CFADMM CCC(CC)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000357338762 281180101 /nfs/dbraw/zinc/18/01/01/281180101.db2.gz AIVYSVFQGMLUAK-UHFFFAOYSA-N -1 1 281.299 2.571 20 0 CFADMM C[C@H](CN(C)Cc1csc(C2CCCC2)n1)C(=O)[O-] ZINC000514944343 281288961 /nfs/dbraw/zinc/28/89/61/281288961.db2.gz PMQQLMPPTDKZFF-SNVBAGLBSA-N -1 1 282.409 2.953 20 0 CFADMM CCC[C@H](OCC)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000529492246 281399396 /nfs/dbraw/zinc/39/93/96/281399396.db2.gz GMYWZDLHLBIMAD-NSHDSACASA-N -1 1 293.392 2.704 20 0 CFADMM CC(C)n1cc([C@H](C)NC(=O)c2c([O-])cccc2F)cn1 ZINC000548448837 281785420 /nfs/dbraw/zinc/78/54/20/281785420.db2.gz SYOWUGTUAVVVRC-JTQLQIEISA-N -1 1 291.326 2.800 20 0 CFADMM Cn1ccc2c1cccc2NC(=O)C(=O)c1ccc([O-])cc1 ZINC000548784740 281801420 /nfs/dbraw/zinc/80/14/20/281801420.db2.gz QLGBVKWMJSUKPV-UHFFFAOYSA-N -1 1 294.310 2.705 20 0 CFADMM Cc1n[n-]c(=NCc2ncc(C(C)C)s2)n1C1CC1 ZINC000551448395 281836308 /nfs/dbraw/zinc/83/63/08/281836308.db2.gz HPEUJLJQXMBXNS-UHFFFAOYSA-N -1 1 277.397 2.535 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H](c2ccncc2)C1 ZINC000552397660 281862050 /nfs/dbraw/zinc/86/20/50/281862050.db2.gz MIATTXXACTVDRU-LBPRGKRZSA-N -1 1 286.306 2.556 20 0 CFADMM CCC(CC)N(CC)C(=O)c1cccc2nn[nH]c21 ZINC000559105244 282001282 /nfs/dbraw/zinc/00/12/82/282001282.db2.gz NOOQDVMBDKEYMA-UHFFFAOYSA-N -1 1 260.341 2.609 20 0 CFADMM c1nc(-c2ccccc2)[nH]c1CN=c1[n-]nc(C2CC2)s1 ZINC000561977438 282064364 /nfs/dbraw/zinc/06/43/64/282064364.db2.gz MOAOGVNGVREIGO-UHFFFAOYSA-N -1 1 297.387 2.840 20 0 CFADMM CCN(C(=O)c1ccccc1[O-])c1nc(C)cs1 ZINC000153038190 289860339 /nfs/dbraw/zinc/86/03/39/289860339.db2.gz IBKGZVVFDOGUQF-UHFFFAOYSA-N -1 1 262.334 2.824 20 0 CFADMM Cc1cccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)n1 ZINC000154098889 289885366 /nfs/dbraw/zinc/88/53/66/289885366.db2.gz QSZAYOLSFKPWSX-UHFFFAOYSA-N -1 1 298.314 2.610 20 0 CFADMM COC(C)(C)CN(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000404391329 290028864 /nfs/dbraw/zinc/02/88/64/290028864.db2.gz YJWWEEGVIKERJY-UHFFFAOYSA-N -1 1 271.744 2.543 20 0 CFADMM Cc1cccc([N-]S(=O)(=O)CCC2CCCC2)n1 ZINC000562540861 290053730 /nfs/dbraw/zinc/05/37/30/290053730.db2.gz ZFTDQJVYQZTXSC-UHFFFAOYSA-N -1 1 268.382 2.712 20 0 CFADMM [O-]c1cccnc1CNC1(C(F)F)CCCCC1 ZINC000564310638 290201838 /nfs/dbraw/zinc/20/18/38/290201838.db2.gz YZMKKIIPHXSQQK-UHFFFAOYSA-N -1 1 256.296 2.845 20 0 CFADMM Cc1oc(C(=O)[O-])cc1CN(C)CCOc1ccccc1 ZINC000565104885 290268932 /nfs/dbraw/zinc/26/89/32/290268932.db2.gz PRCDDJHEMRIZKO-UHFFFAOYSA-N -1 1 289.331 2.797 20 0 CFADMM Cc1oc(CN(C)CCOC(C)(C)C)cc1C(=O)[O-] ZINC000565108125 290269396 /nfs/dbraw/zinc/26/93/96/290269396.db2.gz UVENHHGXUFNMLP-UHFFFAOYSA-N -1 1 269.341 2.533 20 0 CFADMM CC(C)(C)N=c1[n-]nc([C@@H]2Cc3ccccc3O2)n1C1CC1 ZINC000565129434 290270927 /nfs/dbraw/zinc/27/09/27/290270927.db2.gz JTRYVAVKNODHLS-AWEZNQCLSA-N -1 1 298.390 2.922 20 0 CFADMM CCCN(C)Cc1nc2cc(C(=O)[O-])ccc2n1CC ZINC000566357571 290374353 /nfs/dbraw/zinc/37/43/53/290374353.db2.gz CGINXAMIGKBMDF-UHFFFAOYSA-N -1 1 275.352 2.596 20 0 CFADMM Cc1noc(C)c1[N-]C(=O)c1noc2c1C[C@@H](C)CC2 ZINC000567322066 290454577 /nfs/dbraw/zinc/45/45/77/290454577.db2.gz SZLOZWJHTLPSQW-ZETCQYMHSA-N -1 1 275.308 2.657 20 0 CFADMM Cc1cnc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000408229010 292879639 /nfs/dbraw/zinc/87/96/39/292879639.db2.gz LROIHSVIOBMFTF-FRRDWIJNSA-N -1 1 274.364 2.889 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCOCC12CCCCC2 ZINC000334739047 304526730 /nfs/dbraw/zinc/52/67/30/304526730.db2.gz AISVNHJZJDEAPS-UHFFFAOYSA-N -1 1 293.338 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CC1C[C@H]2CC[C@@H](C1)N2Cc1nc(C(=O)[O-])cs1 ZINC000584303334 325345483 /nfs/dbraw/zinc/34/54/83/325345483.db2.gz RZZYCPQQKDCWHJ-PBINXNQUSA-N -1 1 266.366 2.604 20 0 CFADMM O=C([O-])c1cc(Cl)cc(-c2cccc3[nH]nnc32)c1 ZINC001243324130 782138549 /nfs/dbraw/zinc/13/85/49/782138549.db2.gz CHOMYEBTYSOWMW-UHFFFAOYSA-N -1 1 273.679 2.977 20 0 CFADMM COC(=O)c1ccnc(-c2ccc([O-])c(F)c2F)c1C ZINC001243337918 782142618 /nfs/dbraw/zinc/14/26/18/782142618.db2.gz GJGBMAZNLLJHKS-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM Nc1ccc2ccc(-c3ccc([O-])c(F)c3F)nc2n1 ZINC001243338762 782142877 /nfs/dbraw/zinc/14/28/77/782142877.db2.gz ITPMOQQITQTXMT-UHFFFAOYSA-N -1 1 273.242 2.863 20 0 CFADMM COC(=O)c1cc(-c2ccc([O-])c(F)c2F)ncc1F ZINC001243337861 782142899 /nfs/dbraw/zinc/14/28/99/782142899.db2.gz FEDZALOKOYJOCT-UHFFFAOYSA-N -1 1 283.205 2.658 20 0 CFADMM COCOc1cnc(F)cc1-c1ccc([O-])c(F)c1F ZINC001243342385 782148061 /nfs/dbraw/zinc/14/80/61/782148061.db2.gz MEIWGMKPPRLEJW-UHFFFAOYSA-N -1 1 285.221 2.854 20 0 CFADMM 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CCCN(C)CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000361325722 521482091 /nfs/dbraw/zinc/48/20/91/521482091.db2.gz UPOATIRSEIDHDN-UHFFFAOYSA-N -1 1 291.178 2.979 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)c3ncccc3C)[nH][n-]2)s1 ZINC000427986076 534165170 /nfs/dbraw/zinc/16/51/70/534165170.db2.gz XZSNISFJZAWJTP-UHFFFAOYSA-N -1 1 298.371 2.824 20 0 CFADMM CC(C)Nc1ccc(F)cc1NC(=O)c1cncc([O-])c1 ZINC000339902389 519741693 /nfs/dbraw/zinc/74/16/93/519741693.db2.gz WUKSTZSQZXNFEY-UHFFFAOYSA-N -1 1 289.310 2.999 20 0 CFADMM O=C([O-])[C@@H](NCc1cc(F)cc(F)c1)c1ccsc1 ZINC000426782225 534515865 /nfs/dbraw/zinc/51/58/65/534515865.db2.gz DZFPGCDTAHQJIG-LBPRGKRZSA-N -1 1 283.299 2.942 20 0 CFADMM Cc1cnc(C(=O)N[C@@H](C)c2c(F)cccc2F)c([O-])c1 ZINC000426432881 534531122 /nfs/dbraw/zinc/53/11/22/534531122.db2.gz ZLTGZRDDSSVBDA-VIFPVBQESA-N -1 1 292.285 2.865 20 0 CFADMM O=C([O-])c1csc(CNCc2cccc3[nH]ccc32)n1 ZINC000426655304 534550892 /nfs/dbraw/zinc/55/08/92/534550892.db2.gz CVJYGOVEVVTZSX-UHFFFAOYSA-N -1 1 287.344 2.612 20 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525803370 /nfs/dbraw/zinc/80/33/70/525803370.db2.gz YZUFVIUJJHTBQG-UHFFFAOYSA-N -1 1 251.326 2.711 20 0 CFADMM C[C@H](c1ccco1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000069100356 526144025 /nfs/dbraw/zinc/14/40/25/526144025.db2.gz SOYTZRWFJHKNQZ-SNVBAGLBSA-N -1 1 297.314 2.762 20 0 CFADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)c1ccc([O-])cc1 ZINC000336157080 526155151 /nfs/dbraw/zinc/15/51/51/526155151.db2.gz AODLNQJLFGHXDY-MRXNPFEDSA-N -1 1 295.338 2.687 20 0 CFADMM Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)n1C ZINC000082192695 526221488 /nfs/dbraw/zinc/22/14/88/526221488.db2.gz FCAPLJRPIWDUHE-UHFFFAOYSA-N -1 1 264.712 2.945 20 0 CFADMM O=C(NCCC[C@H]1CCCC[C@@H]1O)c1c([O-])cccc1F ZINC000334087551 526270659 /nfs/dbraw/zinc/27/06/59/526270659.db2.gz POJXTRWPOXJGAI-YPMHNXCESA-N -1 1 295.354 2.592 20 0 CFADMM Cc1csc([C@H](C)NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC000334853362 526434816 /nfs/dbraw/zinc/43/48/16/526434816.db2.gz OGFOTENMRTVHIS-ZETCQYMHSA-N -1 1 298.314 2.926 20 0 CFADMM O=C(NC[C@@H]1CC12CCSCC2)c1c([O-])cccc1F ZINC000335072285 526499041 /nfs/dbraw/zinc/49/90/41/526499041.db2.gz DNNUSPOJIFLELQ-JTQLQIEISA-N -1 1 295.379 2.794 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC(C2CCC2)C1 ZINC000335735989 526610833 /nfs/dbraw/zinc/61/08/33/526610833.db2.gz DHNPAYHBMFFPOY-UHFFFAOYSA-N -1 1 265.740 2.918 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@]2(CCCOC2)C1 ZINC000336143652 526623504 /nfs/dbraw/zinc/62/35/04/526623504.db2.gz LRBXIVQIGHNWBD-MRXNPFEDSA-N -1 1 293.338 2.564 20 0 CFADMM Cc1noc(Cl)c1CC(=O)Nc1ccc(F)cc1[O-] ZINC000336360048 526634883 /nfs/dbraw/zinc/63/48/83/526634883.db2.gz BKZZJMFWKRVYCM-UHFFFAOYSA-N -1 1 284.674 2.662 20 0 CFADMM O=C(NCc1ccc(F)c(F)c1)c1c(F)ccc([O-])c1F ZINC000335046632 526669772 /nfs/dbraw/zinc/66/97/72/526669772.db2.gz BMTRDQGRYFVZJY-UHFFFAOYSA-N -1 1 299.223 2.879 20 0 CFADMM NC(=O)Cc1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000328198329 526911512 /nfs/dbraw/zinc/91/15/12/526911512.db2.gz FKXGQQOHWIHOEW-UHFFFAOYSA-N -1 1 290.750 2.686 20 0 CFADMM O=C([N-]c1c(F)cc(F)cc1F)c1ncncc1Cl ZINC000336119352 527091964 /nfs/dbraw/zinc/09/19/64/527091964.db2.gz HMMNVEPXZDKGQX-UHFFFAOYSA-N -1 1 287.628 2.800 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCC[C@H](F)C1 ZINC000335106043 527213262 /nfs/dbraw/zinc/21/32/62/527213262.db2.gz BWBHQYQTHFGKPC-IUCAKERBSA-N -1 1 255.264 2.998 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cscn1 ZINC000082193108 527235994 /nfs/dbraw/zinc/23/59/94/527235994.db2.gz XEVYDDRGNYLBGT-UHFFFAOYSA-N -1 1 254.698 2.754 20 0 CFADMM O=S(=O)([N-][C@@H]1CC=CCC1)c1cc(Cl)ccc1F ZINC000340819748 527236938 /nfs/dbraw/zinc/23/69/38/527236938.db2.gz OPJJHCABOPGNFI-SNVBAGLBSA-N -1 1 289.759 2.866 20 0 CFADMM O=S(=O)([N-][C@H]1CCCSC1)c1sccc1Cl ZINC000336272568 527242456 /nfs/dbraw/zinc/24/24/56/527242456.db2.gz SNPYEEXZOCREBR-ZETCQYMHSA-N -1 1 297.854 2.575 20 0 CFADMM O=C(NC1CC(C(F)(F)F)C1)c1ccc([O-])cc1F ZINC000336376621 527481672 /nfs/dbraw/zinc/48/16/72/527481672.db2.gz PREQWNSTMLHKAQ-UHFFFAOYSA-N -1 1 277.217 2.602 20 0 CFADMM O=C(Nc1csc(-c2ccccn2)n1)c1cncc([O-])c1 ZINC000340006006 527494733 /nfs/dbraw/zinc/49/47/33/527494733.db2.gz GDFUFXOCJMFKAA-UHFFFAOYSA-N -1 1 298.327 2.558 20 0 CFADMM CCC1(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000175660335 527748968 /nfs/dbraw/zinc/74/89/68/527748968.db2.gz GUAFOSOOGZCQBN-UHFFFAOYSA-N -1 1 293.310 2.572 20 0 CFADMM CCCCCN1CC(=O)N[C@@H]1c1cccc([O-])c1Cl ZINC000414217243 528184920 /nfs/dbraw/zinc/18/49/20/528184920.db2.gz XVJUMOHAOOKZBA-AWEZNQCLSA-N -1 1 282.771 2.666 20 0 CFADMM CCCC[C@@H](C)N(C)C(=O)c1ncc(C)cc1[O-] ZINC000428153340 528761930 /nfs/dbraw/zinc/76/19/30/528761930.db2.gz LHBZSUDPADCJED-LLVKDONJSA-N -1 1 250.342 2.746 20 0 CFADMM CCN(C(=O)c1ncc(C)cc1[O-])[C@H](C)c1cccnc1 ZINC000427465158 529103737 /nfs/dbraw/zinc/10/37/37/529103737.db2.gz LMBGDJMAUKVEMI-GFCCVEGCSA-N -1 1 285.347 2.714 20 0 CFADMM CC1(C2([N-]S(=O)(=O)c3cccc(F)c3F)CC2)CC1 ZINC000451998362 535104126 /nfs/dbraw/zinc/10/41/26/535104126.db2.gz VCZUIUSTTCKFDO-UHFFFAOYSA-N -1 1 287.331 2.576 20 0 CFADMM CC(C)[C@@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)[C@@H]1C(C)C ZINC000456318646 535254027 /nfs/dbraw/zinc/25/40/27/535254027.db2.gz FSMIBZHXHDLMNF-LSDHHAIUSA-N -1 1 289.375 2.714 20 0 CFADMM CC(C)(c1ccccc1)[S@](=O)C=C([O-])c1ccc[nH]1 ZINC000447153043 535336535 /nfs/dbraw/zinc/33/65/35/535336535.db2.gz BVYJDMUZEXTLDV-LJQANCHMSA-N -1 1 275.373 2.881 20 0 CFADMM CC(C)Cn1cc(C(=O)Nc2ccc([O-])c(F)c2F)cn1 ZINC000456784818 535349313 /nfs/dbraw/zinc/34/93/13/535349313.db2.gz MVKNDJKILVAYFK-UHFFFAOYSA-N -1 1 295.289 2.775 20 0 CFADMM O=C(C[C@@H]1CC[C@H](C2CC2)O1)Nc1c([O-])cccc1F ZINC000935100611 649875484 /nfs/dbraw/zinc/87/54/84/649875484.db2.gz QHZXOEIFPHSZJL-GXFFZTMASA-N -1 1 279.311 2.818 20 0 CFADMM CCC[C@H](C)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736422949 574050084 /nfs/dbraw/zinc/05/00/84/574050084.db2.gz LCWPDNRIEUBLFQ-QMMMGPOBSA-N -1 1 280.763 2.540 20 0 CFADMM CCC[C@H](C)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736422949 574050086 /nfs/dbraw/zinc/05/00/86/574050086.db2.gz LCWPDNRIEUBLFQ-QMMMGPOBSA-N -1 1 280.763 2.540 20 0 CFADMM CCC[C@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736422935 574050373 /nfs/dbraw/zinc/05/03/73/574050373.db2.gz LBNPRBNHEDVHAG-ZETCQYMHSA-N -1 1 266.736 2.516 20 0 CFADMM CCC[C@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736422935 574050375 /nfs/dbraw/zinc/05/03/75/574050375.db2.gz LBNPRBNHEDVHAG-ZETCQYMHSA-N -1 1 266.736 2.516 20 0 CFADMM CCCC[C@@H](CC)CC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000736436966 574052721 /nfs/dbraw/zinc/05/27/21/574052721.db2.gz BVVWVWCXILMVJQ-GFCCVEGCSA-N -1 1 293.415 2.512 20 0 CFADMM CSCC[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000736710472 574068055 /nfs/dbraw/zinc/06/80/55/574068055.db2.gz DKHOOIKWXRWJGZ-MRVPVSSYSA-N -1 1 273.785 2.917 20 0 CFADMM O=C(NC[C@H](O)C1CCCCC1)c1c([O-])cccc1Cl ZINC000727859042 574068657 /nfs/dbraw/zinc/06/86/57/574068657.db2.gz LWELXNQSHTXDSW-ZDUSSCGKSA-N -1 1 297.782 2.717 20 0 CFADMM CC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730358426 574077075 /nfs/dbraw/zinc/07/70/75/574077075.db2.gz AJBCHEYGRHYSJI-LURJTMIESA-N -1 1 277.103 2.833 20 0 CFADMM CC[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1)N(CC)CC ZINC000736859818 574082133 /nfs/dbraw/zinc/08/21/33/574082133.db2.gz ILLMDSVKQDGGKX-AWEZNQCLSA-N -1 1 293.363 2.548 20 0 CFADMM CCCCCCN(C)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736983965 574091365 /nfs/dbraw/zinc/09/13/65/574091365.db2.gz TXGPDBHVCGKFLX-UHFFFAOYSA-N -1 1 292.379 2.835 20 0 CFADMM O=C([O-])N[C@@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000738652281 574097443 /nfs/dbraw/zinc/09/74/43/574097443.db2.gz BZIHXZDNTGNKSH-LLVKDONJSA-N -1 1 289.310 2.610 20 0 CFADMM C[C@H]1CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672344207 574098051 /nfs/dbraw/zinc/09/80/51/574098051.db2.gz BPRJOTOVTBTYNO-XVKPBYJWSA-N -1 1 273.254 2.939 20 0 CFADMM CCN(CC)CC(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000737086483 574110180 /nfs/dbraw/zinc/11/01/80/574110180.db2.gz YTAAKYIBIKTLNX-UHFFFAOYSA-N -1 1 292.379 2.789 20 0 CFADMM O=C([O-])NC[C@@H](NCc1c(F)cccc1Cl)C1CC1 ZINC000740615269 574126852 /nfs/dbraw/zinc/12/68/52/574126852.db2.gz WXHHVQNUZYSQKZ-GFCCVEGCSA-N -1 1 286.734 2.615 20 0 CFADMM Cc1[nH]c(C(=O)CN2CCC[C@@H](C)[C@@H]2C)c(C)c1C(=O)[O-] ZINC000738153732 574158437 /nfs/dbraw/zinc/15/84/37/574158437.db2.gz ONQHMOSURFRVJT-SKDRFNHKSA-N -1 1 292.379 2.633 20 0 CFADMM O=C(OCCC1CCCC1)c1sccc1-c1nn[n-]n1 ZINC000738222575 574160074 /nfs/dbraw/zinc/16/00/74/574160074.db2.gz SWWWJTUVVLPTFW-UHFFFAOYSA-N -1 1 292.364 2.665 20 0 CFADMM c1cc(-c2nnn[n-]2)nc(N2CCC3(CCCCC3)CC2)c1 ZINC000738412979 574167854 /nfs/dbraw/zinc/16/78/54/574167854.db2.gz PABMQQCHZYWARH-UHFFFAOYSA-N -1 1 298.394 2.812 20 0 CFADMM c1cc(-c2nn[n-]n2)nc(N2CCC3(CCCCC3)CC2)c1 ZINC000738412979 574167856 /nfs/dbraw/zinc/16/78/56/574167856.db2.gz PABMQQCHZYWARH-UHFFFAOYSA-N -1 1 298.394 2.812 20 0 CFADMM Cc1ccc(NC(=O)CN2[C@H](C)CC[C@H]2C)c(C(=O)[O-])c1 ZINC000738622209 574176685 /nfs/dbraw/zinc/17/66/85/574176685.db2.gz PMONZRIVFHFSSM-VXGBXAGGSA-N -1 1 290.363 2.505 20 0 CFADMM Cc1ccccc1[C@H](O)CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000738758358 574178518 /nfs/dbraw/zinc/17/85/18/574178518.db2.gz NFXOJTJPIRPIRM-QGZVFWFLSA-N -1 1 297.354 2.742 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1CCCC1 ZINC000747206777 574187418 /nfs/dbraw/zinc/18/74/18/574187418.db2.gz PBSHABHAIHOJHQ-UHFFFAOYSA-N -1 1 277.368 2.534 20 0 CFADMM CC(C)Oc1ccccc1CN(C)[C@H](C)CNC(=O)[O-] ZINC000738867275 574188587 /nfs/dbraw/zinc/18/85/87/574188587.db2.gz FXGOZKQJBJQNPD-GFCCVEGCSA-N -1 1 280.368 2.562 20 0 CFADMM C[C@@H](CCNc1ccnc2cc(F)ccc21)NC(=O)[O-] ZINC000738909202 574190257 /nfs/dbraw/zinc/19/02/57/574190257.db2.gz RMNNBYQLUYZBSA-VIFPVBQESA-N -1 1 277.299 2.832 20 0 CFADMM C[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739191565 574200413 /nfs/dbraw/zinc/20/04/13/574200413.db2.gz POTNRXFXONWDQQ-GWCFXTLKSA-N -1 1 282.771 2.818 20 0 CFADMM C[C@H]1CN(Cc2cccc3cccnc32)C[C@H](C)N1C(=O)[O-] ZINC000739194271 574200494 /nfs/dbraw/zinc/20/04/94/574200494.db2.gz VQVKYCSVBLKZBQ-STQMWFEESA-N -1 1 299.374 2.807 20 0 CFADMM CCCCc1ccc(OS(=O)(=O)c2c[n-]nc2C)cc1 ZINC000755970471 574201267 /nfs/dbraw/zinc/20/12/67/574201267.db2.gz DFKVNNHSHBOJLZ-UHFFFAOYSA-N -1 1 294.376 2.828 20 0 CFADMM O=C([O-])[C@@H]1CCCN(Cn2c3ccccc3oc2=S)C1 ZINC000739582683 574220241 /nfs/dbraw/zinc/22/02/41/574220241.db2.gz IAKSTOHHCGMCED-SNVBAGLBSA-N -1 1 292.360 2.718 20 0 CFADMM O=C([O-])[C@H]1CCCN(Cn2c3ccccc3oc2=S)C1 ZINC000739582679 574220324 /nfs/dbraw/zinc/22/03/24/574220324.db2.gz IAKSTOHHCGMCED-JTQLQIEISA-N -1 1 292.360 2.718 20 0 CFADMM COc1c(C)cc(CNCc2cc(C(=O)[O-])co2)cc1C ZINC000756307855 574223781 /nfs/dbraw/zinc/22/37/81/574223781.db2.gz QIXNKEXXZONGFU-UHFFFAOYSA-N -1 1 289.331 2.893 20 0 CFADMM O=C([O-])c1coc(CNCc2cncc3ccccc32)c1 ZINC000756306050 574223901 /nfs/dbraw/zinc/22/39/01/574223901.db2.gz FTSBYVQQHKUTBQ-UHFFFAOYSA-N -1 1 282.299 2.816 20 0 CFADMM O=C([O-])CN(C/C=C\Cl)Cc1ccc(F)c(F)c1 ZINC000739783812 574224827 /nfs/dbraw/zinc/22/48/27/574224827.db2.gz LTYVHRAOGDJENJ-RJRFIUFISA-N -1 1 275.682 2.604 20 0 CFADMM COc1ccc(CNCCN(C(=O)[O-])C2CC2)c(Cl)c1 ZINC000739903945 574228071 /nfs/dbraw/zinc/22/80/71/574228071.db2.gz QIMDBBRQPHEVOF-UHFFFAOYSA-N -1 1 298.770 2.581 20 0 CFADMM CCC[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000748118936 574230126 /nfs/dbraw/zinc/23/01/26/574230126.db2.gz PJZBMIXOMKPQIQ-LLVKDONJSA-N -1 1 299.392 2.794 20 0 CFADMM Cc1cc([C@H]2CCCN2C[C@H]2CCCN(C(=O)[O-])C2)no1 ZINC000740079651 574234957 /nfs/dbraw/zinc/23/49/57/574234957.db2.gz ISVHYNRMJCGFDS-TZMCWYRMSA-N -1 1 293.367 2.510 20 0 CFADMM O=C([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000740204131 574242473 /nfs/dbraw/zinc/24/24/73/574242473.db2.gz SSYNUBHISHRUIW-AWEZNQCLSA-N -1 1 285.347 2.566 20 0 CFADMM Cc1nc(CN[C@@]2(CNC(=O)[O-])CCCC[C@H]2C)cs1 ZINC000740224713 574243612 /nfs/dbraw/zinc/24/36/12/574243612.db2.gz RTADBOPPWLYWMH-QMTHXVAHSA-N -1 1 297.424 2.758 20 0 CFADMM Cc1nc(CN[C@]2(CNC(=O)[O-])CCCC[C@H]2C)oc1C ZINC000740222959 574243659 /nfs/dbraw/zinc/24/36/59/574243659.db2.gz FSXSPSFXKIPFNL-BMIGLBTASA-N -1 1 295.383 2.598 20 0 CFADMM CCO[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)C12CCCCC2 ZINC000748338374 574247878 /nfs/dbraw/zinc/24/78/78/574247878.db2.gz HXRFEZSMODESQI-UWVGGRQHSA-N -1 1 279.302 2.793 20 0 CFADMM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1c[n-]nc1C ZINC000730099158 574252236 /nfs/dbraw/zinc/25/22/36/574252236.db2.gz CECQTXRTUXRKHD-SNVBAGLBSA-N -1 1 294.376 2.999 20 0 CFADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(C(C)(C)C)cc1 ZINC000730099326 574252421 /nfs/dbraw/zinc/25/24/21/574252421.db2.gz MHQQUIFQGHMTDY-UHFFFAOYSA-N -1 1 294.376 2.783 20 0 CFADMM O=C([O-])Nc1ccccc1NC(=O)c1cnc2[nH]cccc1-2 ZINC000740715770 574263884 /nfs/dbraw/zinc/26/38/84/574263884.db2.gz OMHSLZANXOCRLL-UHFFFAOYSA-N -1 1 296.286 2.905 20 0 CFADMM CC1(C)[C@H](NC(=O)c2c([O-])cccc2Cl)[C@H]2CCO[C@@H]21 ZINC000741291511 574286012 /nfs/dbraw/zinc/28/60/12/574286012.db2.gz AFZPNJSPTJPVNS-WQHBLYJGSA-N -1 1 295.766 2.589 20 0 CFADMM O=C([N-]Cc1ccc2ccccc2n1)C(F)(F)C(F)F ZINC000749349885 574290316 /nfs/dbraw/zinc/29/03/16/574290316.db2.gz QBFCKSUWMYZDAJ-UHFFFAOYSA-N -1 1 286.228 2.751 20 0 CFADMM Cc1ccc2c(c1C)OC[C@H]2[N-]C(=O)C(F)(F)C(F)F ZINC000749376498 574292240 /nfs/dbraw/zinc/29/22/40/574292240.db2.gz ZHTLPDCWPHENTB-SECBINFHSA-N -1 1 291.244 2.754 20 0 CFADMM COc1ccc(CN(C)Cc2cc(C(=O)[O-])co2)cc1C ZINC000737993895 574315496 /nfs/dbraw/zinc/31/54/96/574315496.db2.gz APAGJQHIYPIFPV-UHFFFAOYSA-N -1 1 289.331 2.927 20 0 CFADMM C[C@H](c1cc(F)ccc1F)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739053092 574331339 /nfs/dbraw/zinc/33/13/39/574331339.db2.gz JIXAHTPIZCMUMY-MNOVXSKESA-N -1 1 298.333 2.958 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccoc2C)c1 ZINC000744579685 574339099 /nfs/dbraw/zinc/33/90/99/574339099.db2.gz ABFAXPMJVPDDQN-UHFFFAOYSA-N -1 1 288.299 2.896 20 0 CFADMM CCCCOCCNC(=O)c1c([O-])cccc1Cl ZINC000742830836 574345695 /nfs/dbraw/zinc/34/56/95/574345695.db2.gz YAOYWVBQSGBPSM-UHFFFAOYSA-N -1 1 271.744 2.592 20 0 CFADMM C/C(=C\CSc1nc(-c2ccccc2F)n[nH]1)C(=O)[O-] ZINC000736120638 574351907 /nfs/dbraw/zinc/35/19/07/574351907.db2.gz BYNQVWXEWKZDJE-SOFGYWHQSA-N -1 1 293.323 2.734 20 0 CFADMM CC[C@@H](C)[C@@H](C)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736329636 574363066 /nfs/dbraw/zinc/36/30/66/574363066.db2.gz KALVWUXCDVKBKD-NXEZZACHSA-N -1 1 297.366 2.656 20 0 CFADMM CC[C@@H](C)[C@@H](C)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736329636 574363069 /nfs/dbraw/zinc/36/30/69/574363069.db2.gz KALVWUXCDVKBKD-NXEZZACHSA-N -1 1 297.366 2.656 20 0 CFADMM CCC(CC)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736346166 574364224 /nfs/dbraw/zinc/36/42/24/574364224.db2.gz SQJKFDMMMBKKTE-UHFFFAOYSA-N -1 1 280.763 2.763 20 0 CFADMM CCC(CC)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736346166 574364227 /nfs/dbraw/zinc/36/42/27/574364227.db2.gz SQJKFDMMMBKKTE-UHFFFAOYSA-N -1 1 280.763 2.763 20 0 CFADMM Fc1ccc(-c2csc(SCc3nn[n-]n3)n2)cc1 ZINC000751559494 574378959 /nfs/dbraw/zinc/37/89/59/574378959.db2.gz XXILPOAKCSTUIZ-UHFFFAOYSA-N -1 1 293.352 2.755 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2C[C@@H]2C2CC2)c1 ZINC000751748720 574382201 /nfs/dbraw/zinc/38/22/01/574382201.db2.gz RQHWLSKQKQPYBV-HUUCEWRRSA-N -1 1 288.343 2.727 20 0 CFADMM Cc1cccc(-c2nnc([C@H](C)N(C)CCC(=O)[O-])o2)c1 ZINC000818936056 597003879 /nfs/dbraw/zinc/00/38/79/597003879.db2.gz GQUOGXKPKAHYIB-NSHDSACASA-N -1 1 289.335 2.513 20 0 CFADMM O=C([O-])c1ccc(CN2CC3(C2)CC(F)(F)C3)cc1 ZINC000821544256 597462060 /nfs/dbraw/zinc/46/20/60/597462060.db2.gz CZVYYXUQCOIXGL-UHFFFAOYSA-N -1 1 267.275 2.616 20 0 CFADMM C[C@H](C(=O)[O-])N(C)Cc1cc2ccccc2nc1Cl ZINC000769756843 597473565 /nfs/dbraw/zinc/47/35/65/597473565.db2.gz XOJWXFYATSXASM-SECBINFHSA-N -1 1 278.739 2.793 20 0 CFADMM CC(C)CN(CC(=O)[O-])Cc1cnc(C2CC2)s1 ZINC000901589440 620863923 /nfs/dbraw/zinc/86/39/23/620863923.db2.gz QOVUYQWOBJLESF-UHFFFAOYSA-N -1 1 268.382 2.563 20 0 CFADMM c1cc(NC2CCCCCCC2)nc(-c2nnn[n-]2)c1 ZINC000738412693 599394577 /nfs/dbraw/zinc/39/45/77/599394577.db2.gz FXHGBOTXSPNOBH-UHFFFAOYSA-N -1 1 272.356 2.787 20 0 CFADMM c1cc(NC2CCCCCCC2)nc(-c2nn[n-]n2)c1 ZINC000738412693 599394580 /nfs/dbraw/zinc/39/45/80/599394580.db2.gz FXHGBOTXSPNOBH-UHFFFAOYSA-N -1 1 272.356 2.787 20 0 CFADMM c1cc(-c2nnn[n-]2)oc1CNc1ccc2c(c1)CCC2 ZINC000823767542 599410224 /nfs/dbraw/zinc/41/02/24/599410224.db2.gz SZCBSDODQXLRKV-UHFFFAOYSA-N -1 1 281.319 2.561 20 0 CFADMM c1cc(-c2nn[n-]n2)oc1CNc1ccc2c(c1)CCC2 ZINC000823767542 599410225 /nfs/dbraw/zinc/41/02/25/599410225.db2.gz SZCBSDODQXLRKV-UHFFFAOYSA-N -1 1 281.319 2.561 20 0 CFADMM Fc1cccc2c1CC[C@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000737665531 599416391 /nfs/dbraw/zinc/41/63/91/599416391.db2.gz RTEPBZZJNBWTKY-GFCCVEGCSA-N -1 1 296.309 2.500 20 0 CFADMM Fc1cccc2c1CC[C@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000737665531 599416393 /nfs/dbraw/zinc/41/63/93/599416393.db2.gz RTEPBZZJNBWTKY-GFCCVEGCSA-N -1 1 296.309 2.500 20 0 CFADMM C[C@H](Sc1nccnc1-c1nn[n-]n1)c1cccs1 ZINC000095156230 599531868 /nfs/dbraw/zinc/53/18/68/599531868.db2.gz QSWISLZTULNXFE-ZETCQYMHSA-N -1 1 290.377 2.572 20 0 CFADMM CN(CC1CCC1)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821596670 599549979 /nfs/dbraw/zinc/54/99/79/599549979.db2.gz RCWLFLVFMJCHOP-UHFFFAOYSA-N -1 1 294.362 2.651 20 0 CFADMM CN(CC1CCC1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821596670 599549980 /nfs/dbraw/zinc/54/99/80/599549980.db2.gz RCWLFLVFMJCHOP-UHFFFAOYSA-N -1 1 294.362 2.651 20 0 CFADMM CCCN(CC(C)C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900144479 620642951 /nfs/dbraw/zinc/64/29/51/620642951.db2.gz FZAJPNLGBREVAO-UHFFFAOYSA-N -1 1 277.368 2.568 20 0 CFADMM CCCC[C@@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)[O-] ZINC000713471903 599709483 /nfs/dbraw/zinc/70/94/83/599709483.db2.gz OGSIJEFJXGHEEC-MRVPVSSYSA-N -1 1 271.386 2.838 20 0 CFADMM O=C([O-])[C@H]1CC12CCN(Cc1cccc(F)c1F)CC2 ZINC000405456703 600292481 /nfs/dbraw/zinc/29/24/81/600292481.db2.gz YTQZHQURERZTLA-LLVKDONJSA-N -1 1 281.302 2.652 20 0 CFADMM COc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000074403969 600416626 /nfs/dbraw/zinc/41/66/26/600416626.db2.gz ACPYJJAZLPJJFC-OAHLLOKOSA-N -1 1 289.306 2.750 20 0 CFADMM Cc1ccccc1CSc1cccc(-c2nnn[n-]2)n1 ZINC000095326320 607894509 /nfs/dbraw/zinc/89/45/09/607894509.db2.gz RBDDTUBZRZJITO-UHFFFAOYSA-N -1 1 283.360 2.862 20 0 CFADMM Cc1ccccc1CSc1cccc(-c2nn[n-]n2)n1 ZINC000095326320 607894510 /nfs/dbraw/zinc/89/45/10/607894510.db2.gz RBDDTUBZRZJITO-UHFFFAOYSA-N -1 1 283.360 2.862 20 0 CFADMM CC[C@@](C)(NCc1nc2ccccc2s1)C(=O)[O-] ZINC000094228480 600560912 /nfs/dbraw/zinc/56/09/12/600560912.db2.gz LCMWNIMRLFLYIK-CYBMUJFWSA-N -1 1 264.350 2.639 20 0 CFADMM CC[C@@](C)(NCC(=O)Nc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000094228652 600561001 /nfs/dbraw/zinc/56/10/01/600561001.db2.gz JGPXDYKGDZKECZ-MRXNPFEDSA-N -1 1 292.379 2.591 20 0 CFADMM CC[C@@](C)(NCc1cc(-c2ccc(C)cc2)no1)C(=O)[O-] ZINC000094228814 600563200 /nfs/dbraw/zinc/56/32/00/600563200.db2.gz SRDZWHPUMDSJHF-MRXNPFEDSA-N -1 1 288.347 2.993 20 0 CFADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H]1c1cnn(C)c1 ZINC000386933686 600998008 /nfs/dbraw/zinc/99/80/08/600998008.db2.gz KQXRIJXKOZYALE-JQWIXIFHSA-N -1 1 289.335 2.609 20 0 CFADMM O=C([O-])c1ccoc1CN1CC[C@H]1c1ccccc1 ZINC000833334037 601009152 /nfs/dbraw/zinc/00/91/52/601009152.db2.gz LXKDTKJCKXUJDD-ZDUSSCGKSA-N -1 1 257.289 2.925 20 0 CFADMM Cc1[nH]c(C(=O)[C@@H](C)N2CCC(C)(C)C2)c(C)c1C(=O)[O-] ZINC000832842450 601038681 /nfs/dbraw/zinc/03/86/81/601038681.db2.gz BQUBATYSAXFGEM-LLVKDONJSA-N -1 1 292.379 2.633 20 0 CFADMM COc1ccc2nc(SC/C=C(\C)C(=O)[O-])[nH]c2c1 ZINC000214703192 601096994 /nfs/dbraw/zinc/09/69/94/601096994.db2.gz USRHRYQTQUVHBR-VMPITWQZSA-N -1 1 278.333 2.695 20 0 CFADMM CC[C@](C)(NC/C=C(/C)C(=O)[O-])c1nc(C)cs1 ZINC000828692359 601179231 /nfs/dbraw/zinc/17/92/31/601179231.db2.gz IKOTZJNFKPCXOU-XURPKSDJSA-N -1 1 268.382 2.697 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@]12CCO[C@@H]1CCCC2 ZINC000935597956 649920582 /nfs/dbraw/zinc/92/05/82/649920582.db2.gz KLPBFOPIWKWEKE-YGRLFVJLSA-N -1 1 296.754 2.728 20 0 CFADMM O=C(C[C@H]1CC[C@H](C2CC2)O1)Nc1nc(Cl)ccc1[O-] ZINC000935598224 649920698 /nfs/dbraw/zinc/92/06/98/649920698.db2.gz MGZZHOQLKYFWPE-MWLCHTKSSA-N -1 1 296.754 2.727 20 0 CFADMM O=C(C[C@@H]1CC[C@H](C2CC2)O1)Nc1nc(Cl)ccc1[O-] ZINC000935598219 649920846 /nfs/dbraw/zinc/92/08/46/649920846.db2.gz MGZZHOQLKYFWPE-GXSJLCMTSA-N -1 1 296.754 2.727 20 0 CFADMM O=C([O-])[C@]1(F)CCN(Cc2ccc3ccccc3c2)C1 ZINC000833176384 601438390 /nfs/dbraw/zinc/43/83/90/601438390.db2.gz YATODOSAEJNFBK-INIZCTEOSA-N -1 1 273.307 2.838 20 0 CFADMM CC[C@@H](c1ccc(F)cc1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000829021754 601448494 /nfs/dbraw/zinc/44/84/94/601448494.db2.gz XUHKRFKAQKJOEQ-JSGCOSHPSA-N -1 1 269.291 2.775 20 0 CFADMM C[C@@H](c1ncc(C(C)(C)C)o1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828425341 601515619 /nfs/dbraw/zinc/51/56/19/601515619.db2.gz YZKGLFRGKJKOSU-VWYCJHECSA-N -1 1 280.368 2.686 20 0 CFADMM O=C([O-])C[C@@H]1CCCCN1Cc1nc2cc(F)ccc2o1 ZINC000833206940 601621524 /nfs/dbraw/zinc/62/15/24/601621524.db2.gz FLGDSZNOGSEBHG-NSHDSACASA-N -1 1 292.310 2.796 20 0 CFADMM C[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000832825144 601835497 /nfs/dbraw/zinc/83/54/97/601835497.db2.gz PDUITVARQWFJFK-MRVPVSSYSA-N -1 1 280.274 2.842 20 0 CFADMM Clc1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000095167351 607544842 /nfs/dbraw/zinc/54/48/42/607544842.db2.gz LPAWAIPMCDQEPV-UHFFFAOYSA-N -1 1 286.726 2.527 20 0 CFADMM Clc1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000095167351 607544844 /nfs/dbraw/zinc/54/48/44/607544844.db2.gz LPAWAIPMCDQEPV-UHFFFAOYSA-N -1 1 286.726 2.527 20 0 CFADMM CCc1cnc(CN[C@@]2(CNC(=O)[O-])CCCC[C@@H]2C)o1 ZINC000827616847 603561796 /nfs/dbraw/zinc/56/17/96/603561796.db2.gz XTORMJNFAYJATC-XHDPSFHLSA-N -1 1 295.383 2.543 20 0 CFADMM C[C@@H](c1cccc(F)c1)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825631492 603794442 /nfs/dbraw/zinc/79/44/42/603794442.db2.gz YYIZPPXXNDAVDF-GWCFXTLKSA-N -1 1 266.316 2.571 20 0 CFADMM C[C@H](NC[C@@H]1CCCN1C(=O)[O-])c1cccnc1Cl ZINC000825490531 604294975 /nfs/dbraw/zinc/29/49/75/604294975.db2.gz MABNDAGGVKUEPW-UWVGGRQHSA-N -1 1 283.759 2.528 20 0 CFADMM O=C([O-])N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000739928477 604369735 /nfs/dbraw/zinc/36/97/35/604369735.db2.gz NMDYDMOAHTYSOE-LLVKDONJSA-N -1 1 288.269 2.547 20 0 CFADMM CC(C)[C@@](C)(CNC(=O)[O-])NC/C(Cl)=C/Cl ZINC000824064626 604420532 /nfs/dbraw/zinc/42/05/32/604420532.db2.gz NHHVTSRQMCBKOC-NAXAJZLFSA-N -1 1 269.172 2.577 20 0 CFADMM CCc1ncc(CN(C)C2(C(=O)[O-])CCCCC2)s1 ZINC000833677438 604642343 /nfs/dbraw/zinc/64/23/43/604642343.db2.gz QIJAKSJMXLNMLC-UHFFFAOYSA-N -1 1 282.409 2.925 20 0 CFADMM CCc1nc(S[C@@H](C)c2cc(C)c(C(=O)[O-])o2)n[nH]1 ZINC000830335452 604709648 /nfs/dbraw/zinc/70/96/48/604709648.db2.gz QJSSTBYOYNJJJM-ZETCQYMHSA-N -1 1 281.337 2.820 20 0 CFADMM CCc1n[nH]c(S[C@@H](C)c2cc(C)c(C(=O)[O-])o2)n1 ZINC000830335452 604709649 /nfs/dbraw/zinc/70/96/49/604709649.db2.gz QJSSTBYOYNJJJM-ZETCQYMHSA-N -1 1 281.337 2.820 20 0 CFADMM CCn1cc(Cl)c([N-]S(=O)(=O)c2ccccc2C)n1 ZINC000901712228 620904583 /nfs/dbraw/zinc/90/45/83/620904583.db2.gz FPEAQGYHDAVQSX-UHFFFAOYSA-N -1 1 299.783 2.666 20 0 CFADMM CC(C)C[C@H]1CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900460848 620679234 /nfs/dbraw/zinc/67/92/34/620679234.db2.gz WAAWTORRIOKILC-GFCCVEGCSA-N -1 1 289.379 2.710 20 0 CFADMM COc1ccccc1[C@@H](C)N[C@@H](C(=O)[O-])c1cccnc1 ZINC000832597522 604973094 /nfs/dbraw/zinc/97/30/94/604973094.db2.gz ZHFWJRIAZCCGAN-IAQYHMDHSA-N -1 1 286.331 2.567 20 0 CFADMM C[C@H](C(=O)[O-])[C@H](NCc1nccs1)c1ccccc1 ZINC000833408766 604973915 /nfs/dbraw/zinc/97/39/15/604973915.db2.gz VSGPZSMPOGMIDJ-GWCFXTLKSA-N -1 1 276.361 2.695 20 0 CFADMM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(F)c(F)c1 ZINC000827718528 604986017 /nfs/dbraw/zinc/98/60/17/604986017.db2.gz UYRQTOFULUTLMJ-LKFCYVNXSA-N -1 1 292.285 2.836 20 0 CFADMM C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(C(=O)[O-])[nH]2)o1 ZINC000833602784 605115012 /nfs/dbraw/zinc/11/50/12/605115012.db2.gz BPFWJSITYMBASX-BXKDBHETSA-N -1 1 274.320 2.719 20 0 CFADMM Cc1nc([C@@H](C)NCCCN(C(=O)[O-])C2CC2)cs1 ZINC000830708755 605479543 /nfs/dbraw/zinc/47/95/43/605479543.db2.gz CLOFONWXTRKSII-SECBINFHSA-N -1 1 283.397 2.635 20 0 CFADMM CCc1nc(CN[C@@H](C)C[C@@H]2CCCN2C(=O)[O-])cs1 ZINC000827637494 605502130 /nfs/dbraw/zinc/50/21/30/605502130.db2.gz UFQAUKFHFSWQDD-JQWIXIFHSA-N -1 1 297.424 2.716 20 0 CFADMM O=C([O-])NC[C@@H]1CCCN(Cc2cscc2Cl)C1 ZINC000834213458 605553304 /nfs/dbraw/zinc/55/33/04/605553304.db2.gz BMQANAXHXQXBCX-VIFPVBQESA-N -1 1 288.800 2.881 20 0 CFADMM O=C([O-])N[C@@H]1CCN(C/C=C/c2ccc(Cl)cc2)C1 ZINC000834188681 605567625 /nfs/dbraw/zinc/56/76/25/605567625.db2.gz ABTSRKOIXGLWIO-ZIYVKSGCSA-N -1 1 280.755 2.695 20 0 CFADMM O=C([O-])N[C@H]1C[C@H](NCc2ccco2)c2ccccc21 ZINC000834158372 605787519 /nfs/dbraw/zinc/78/75/19/605787519.db2.gz NHSXUSOKMFKUOP-KBPBESRZSA-N -1 1 272.304 2.823 20 0 CFADMM O=C([O-])NCCN1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000834239132 605817404 /nfs/dbraw/zinc/81/74/04/605817404.db2.gz DMCOFGUFKNAUJJ-UHFFFAOYSA-N -1 1 285.347 2.525 20 0 CFADMM Cc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822324084 606411808 /nfs/dbraw/zinc/41/18/08/606411808.db2.gz UOBPTJOUAHDKEZ-UHFFFAOYSA-N -1 1 271.349 2.849 20 0 CFADMM c1ccc([C@H](Nc2cccc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC000823771697 606445803 /nfs/dbraw/zinc/44/58/03/606445803.db2.gz CLTHFSLAOLULND-HNNXBMFYSA-N -1 1 292.346 2.825 20 0 CFADMM c1ccc([C@H](Nc2cccc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC000823771697 606445804 /nfs/dbraw/zinc/44/58/04/606445804.db2.gz CLTHFSLAOLULND-HNNXBMFYSA-N -1 1 292.346 2.825 20 0 CFADMM c1ccc([C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000823779705 606447602 /nfs/dbraw/zinc/44/76/02/606447602.db2.gz HGERRTBZBOHRAP-AWEZNQCLSA-N -1 1 292.346 2.603 20 0 CFADMM c1ccc([C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000823779705 606447604 /nfs/dbraw/zinc/44/76/04/606447604.db2.gz HGERRTBZBOHRAP-AWEZNQCLSA-N -1 1 292.346 2.603 20 0 CFADMM CCCCC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821049707 606486830 /nfs/dbraw/zinc/48/68/30/606486830.db2.gz NATWYQMJGQSOFL-SECBINFHSA-N -1 1 293.396 2.627 20 0 CFADMM CCCCC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821049707 606486831 /nfs/dbraw/zinc/48/68/31/606486831.db2.gz NATWYQMJGQSOFL-SECBINFHSA-N -1 1 293.396 2.627 20 0 CFADMM Cc1cc(C)cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822196477 606487405 /nfs/dbraw/zinc/48/74/05/606487405.db2.gz KXJXKNDBOVDPHX-UHFFFAOYSA-N -1 1 299.359 2.797 20 0 CFADMM Cc1cc(C)cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822196477 606487406 /nfs/dbraw/zinc/48/74/06/606487406.db2.gz KXJXKNDBOVDPHX-UHFFFAOYSA-N -1 1 299.359 2.797 20 0 CFADMM Cc1cccc(C)c1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822294321 606489417 /nfs/dbraw/zinc/48/94/17/606489417.db2.gz XBYDGCSTCIUTAY-UHFFFAOYSA-N -1 1 299.359 2.797 20 0 CFADMM Cc1cccc(C)c1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822294321 606489419 /nfs/dbraw/zinc/48/94/19/606489419.db2.gz XBYDGCSTCIUTAY-UHFFFAOYSA-N -1 1 299.359 2.797 20 0 CFADMM Cc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1C ZINC000826291715 607894869 /nfs/dbraw/zinc/89/48/69/607894869.db2.gz SESWNFQGPBRGRU-UHFFFAOYSA-N -1 1 266.308 2.622 20 0 CFADMM Cc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1C ZINC000826291715 607894870 /nfs/dbraw/zinc/89/48/70/607894870.db2.gz SESWNFQGPBRGRU-UHFFFAOYSA-N -1 1 266.308 2.622 20 0 CFADMM c1cnc2ccc(Oc3cccc(-c4nnn[n-]4)n3)cc2c1 ZINC000826517580 607897764 /nfs/dbraw/zinc/89/77/64/607897764.db2.gz IHQLWJXNSDDWBX-UHFFFAOYSA-N -1 1 290.286 2.602 20 0 CFADMM c1cnc2ccc(Oc3cccc(-c4nn[n-]n4)n3)cc2c1 ZINC000826517580 607897765 /nfs/dbraw/zinc/89/77/65/607897765.db2.gz IHQLWJXNSDDWBX-UHFFFAOYSA-N -1 1 290.286 2.602 20 0 CFADMM c1coc([C@H]2CCCCN2c2cccc(-c3nnn[n-]3)n2)c1 ZINC000826514665 607900253 /nfs/dbraw/zinc/90/02/53/607900253.db2.gz YVVQXEUBKWNZRU-GFCCVEGCSA-N -1 1 296.334 2.586 20 0 CFADMM c1coc([C@H]2CCCCN2c2cccc(-c3nn[n-]n3)n2)c1 ZINC000826514665 607900254 /nfs/dbraw/zinc/90/02/54/607900254.db2.gz YVVQXEUBKWNZRU-GFCCVEGCSA-N -1 1 296.334 2.586 20 0 CFADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C1CCCC1 ZINC000824670343 608184004 /nfs/dbraw/zinc/18/40/04/608184004.db2.gz MHOSWSFAHAMCPK-LURJTMIESA-N -1 1 298.803 2.967 20 0 CFADMM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C1CCCC1 ZINC000824670343 608184006 /nfs/dbraw/zinc/18/40/06/608184006.db2.gz MHOSWSFAHAMCPK-LURJTMIESA-N -1 1 298.803 2.967 20 0 CFADMM CC[C@@H]1CC[C@@H](C)N1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825191367 608237568 /nfs/dbraw/zinc/23/75/68/608237568.db2.gz ASINPBBJJRTGAS-RKDXNWHRSA-N -1 1 292.774 2.682 20 0 CFADMM CC[C@@H]1CC[C@@H](C)N1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825191367 608237570 /nfs/dbraw/zinc/23/75/70/608237570.db2.gz ASINPBBJJRTGAS-RKDXNWHRSA-N -1 1 292.774 2.682 20 0 CFADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@H]1CCCC[C@H]1C ZINC000826280699 608541344 /nfs/dbraw/zinc/54/13/44/608541344.db2.gz MLWLOENHARPSOV-KOLCDFICSA-N -1 1 272.356 2.561 20 0 CFADMM C[C@@H]1C[C@H](C)CN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900795826 620715417 /nfs/dbraw/zinc/71/54/17/620715417.db2.gz HSOADXWSZRKSDT-VHSXEESVSA-N -1 1 288.322 2.950 20 0 CFADMM CC1(C)CCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000900882078 620725144 /nfs/dbraw/zinc/72/51/44/620725144.db2.gz PYIPTLHZTMDSFN-UHFFFAOYSA-N -1 1 288.322 2.952 20 0 CFADMM COCc1nc(N[C@@H](C)c2ccc(OC)cc2)cc(=O)[n-]1 ZINC000892100898 617948821 /nfs/dbraw/zinc/94/88/21/617948821.db2.gz JZRSMXNYANHJME-JTQLQIEISA-N -1 1 289.335 2.510 20 0 CFADMM C[C@@H]1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)[C@H]1C ZINC000900947286 620730982 /nfs/dbraw/zinc/73/09/82/620730982.db2.gz SFYBMHNEUMQJHR-ZJUUUORDSA-N -1 1 288.322 2.950 20 0 CFADMM CC(=CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccco1 ZINC000891615427 617685635 /nfs/dbraw/zinc/68/56/35/617685635.db2.gz RLTXDSADZQQISH-KTKRTIGZSA-N -1 1 299.330 2.696 20 0 CFADMM CCC1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CCC1 ZINC000891620826 617688513 /nfs/dbraw/zinc/68/85/13/617688513.db2.gz DAPQBNLGYGNOMK-UHFFFAOYSA-N -1 1 275.352 2.580 20 0 CFADMM O=C(CCC1CCC1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623299 617689551 /nfs/dbraw/zinc/68/95/51/617689551.db2.gz VOIKTGFJYQRESX-UHFFFAOYSA-N -1 1 275.352 2.580 20 0 CFADMM CC/C=C\COC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000254952656 617696121 /nfs/dbraw/zinc/69/61/21/617696121.db2.gz XTKTYBLJLUDJQF-WAYWQWQTSA-N -1 1 296.392 2.655 20 0 CFADMM CC[C@H]1CCC[N@@H+]1Cc1ncc(Br)cc1[O-] ZINC000891778763 617748303 /nfs/dbraw/zinc/74/83/03/617748303.db2.gz BTLWNJFHTVKGFD-JTQLQIEISA-N -1 1 285.185 2.924 20 0 CFADMM Cc1cnc(CNCc2ccc([O-])c(Cl)c2)o1 ZINC000235956230 617794713 /nfs/dbraw/zinc/79/47/13/617794713.db2.gz AZMUAYZMOQJYMT-UHFFFAOYSA-N -1 1 252.701 2.632 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCCCC[C@@H]1CO ZINC000317720094 617831942 /nfs/dbraw/zinc/83/19/42/617831942.db2.gz JNVQIRXWGSHXCI-CQSZACIVSA-N -1 1 299.370 2.923 20 0 CFADMM COCc1nc(N2CCC[C@H]2c2cccc(C)c2)cc(=O)[n-]1 ZINC000891943284 617840994 /nfs/dbraw/zinc/84/09/94/617840994.db2.gz PJCPIRITSNKSSI-AWEZNQCLSA-N -1 1 299.374 2.979 20 0 CFADMM Cc1cn(C(C)(C)C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000901163304 620759847 /nfs/dbraw/zinc/75/98/47/620759847.db2.gz UOLSTGHHWOFAFB-UHFFFAOYSA-N -1 1 293.754 2.924 20 0 CFADMM C[C@@H](O)c1cc(NC(=O)c2ccc([O-])c(F)c2)ccc1F ZINC000804803640 617889793 /nfs/dbraw/zinc/88/97/93/617889793.db2.gz NUPJTCMRWXWBPR-MRVPVSSYSA-N -1 1 293.269 2.976 20 0 CFADMM Cc1ccnc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)c1 ZINC000255474539 617974928 /nfs/dbraw/zinc/97/49/28/617974928.db2.gz LPQLKBVNIYNKFY-CLFYSBASSA-N -1 1 292.335 2.942 20 0 CFADMM O=C([O-])[C@@H]1CCCCCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000080987907 618003821 /nfs/dbraw/zinc/00/38/21/618003821.db2.gz SMSWEVFRQXPPTC-NSHDSACASA-N -1 1 297.738 2.515 20 0 CFADMM CO[C@@H]1CC[C@@H]1N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000889358401 618169448 /nfs/dbraw/zinc/16/94/48/618169448.db2.gz IAQVWOGFFUJKGY-LSDHHAIUSA-N -1 1 285.343 2.795 20 0 CFADMM Cn1cc([N-]c2nn3cc(-c4ccccc4)nc3s2)cn1 ZINC000052487497 618171823 /nfs/dbraw/zinc/17/18/23/618171823.db2.gz BFWOHYBEMQWUHD-UHFFFAOYSA-N -1 1 296.359 2.935 20 0 CFADMM C[C@@H](C[N-]C(=O)C(F)(F)C(F)F)Oc1ccc(F)cc1 ZINC000176932422 618230091 /nfs/dbraw/zinc/23/00/91/618230091.db2.gz JNPFBFGDBIUNDG-ZETCQYMHSA-N -1 1 297.223 2.610 20 0 CFADMM Cc1nc(C)c(C(=O)Nc2nc(Cl)ccc2[O-])s1 ZINC000188375634 618301205 /nfs/dbraw/zinc/30/12/05/618301205.db2.gz CYNVSPNIDZUMBB-UHFFFAOYSA-N -1 1 283.740 2.766 20 0 CFADMM COCc1nc(N2CC[C@H](C)[C@@H]2c2ccccc2)cc(=O)[n-]1 ZINC000895207199 618471936 /nfs/dbraw/zinc/47/19/36/618471936.db2.gz BJPYKPLQGFFTAN-YVEFUNNKSA-N -1 1 299.374 2.916 20 0 CFADMM CCc1oc(CN[C@@H](C)CC(F)(F)F)cc1C(=O)[O-] ZINC000901450233 620816728 /nfs/dbraw/zinc/81/67/28/620816728.db2.gz MVTHDPQCDWPZDX-ZETCQYMHSA-N -1 1 279.258 2.971 20 0 CFADMM C[C@@H]1[C@H](C)SCCN1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000901433872 620819243 /nfs/dbraw/zinc/81/92/43/620819243.db2.gz MYNNWRIDPWFTRB-PVTPVBHGSA-N -1 1 281.377 2.703 20 0 CFADMM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1ccc(F)cn1 ZINC000178183398 618634359 /nfs/dbraw/zinc/63/43/59/618634359.db2.gz KOYOJRUXFIVIEB-BQYQJAHWSA-N -1 1 296.298 2.772 20 0 CFADMM Cc1cccc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)n1 ZINC000178182870 618634575 /nfs/dbraw/zinc/63/45/75/618634575.db2.gz UPSZVLMAIIZXOU-MDZDMXLPSA-N -1 1 292.335 2.942 20 0 CFADMM CCN(CC(=O)[O-])Cc1ccc(-c2ccc(F)cc2)o1 ZINC000901427352 620815829 /nfs/dbraw/zinc/81/58/29/620815829.db2.gz ZYSXBAHZXRQKBD-UHFFFAOYSA-N -1 1 277.295 2.992 20 0 CFADMM COc1cc(C(=O)Nc2nc(Cl)ccc2[O-])ccc1F ZINC000194587436 618937658 /nfs/dbraw/zinc/93/76/58/618937658.db2.gz FAHNLALXGVOYDB-UHFFFAOYSA-N -1 1 296.685 2.841 20 0 CFADMM O=C(NCC[C@H]1CC1(Cl)Cl)c1ccc([O-])cc1F ZINC000857380888 618972264 /nfs/dbraw/zinc/97/22/64/618972264.db2.gz HYSHGEVSUZYTRL-ZETCQYMHSA-N -1 1 292.137 2.845 20 0 CFADMM CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000909385763 619043931 /nfs/dbraw/zinc/04/39/31/619043931.db2.gz TYUBIHVZPYUMLW-WDEREUQCSA-N -1 1 289.379 2.710 20 0 CFADMM O=C([O-])Cc1ccccc1CN1CCOc2ccccc2C1 ZINC000317196236 619106240 /nfs/dbraw/zinc/10/62/40/619106240.db2.gz SYODYHVUOJXSRV-UHFFFAOYSA-N -1 1 297.354 2.708 20 0 CFADMM COCc1nc(N[C@H](C)c2ccsc2)cc(=O)[n-]1 ZINC000893710177 619189706 /nfs/dbraw/zinc/18/97/06/619189706.db2.gz GTXHANWTSRPSJI-MRVPVSSYSA-N -1 1 265.338 2.563 20 0 CFADMM COCc1nc(NCc2cc3cc(C)ccc3o2)cc(=O)[n-]1 ZINC000894555595 619418594 /nfs/dbraw/zinc/41/85/94/619418594.db2.gz ZBVMHXCDCLZXJF-UHFFFAOYSA-N -1 1 299.330 2.995 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000894732573 619452306 /nfs/dbraw/zinc/45/23/06/619452306.db2.gz QKDVGUSDWAVPBF-YGRLFVJLSA-N -1 1 295.766 2.687 20 0 CFADMM O=C(NCc1ccc(O)cc1)c1c([O-])cccc1Cl ZINC000049091925 619521255 /nfs/dbraw/zinc/52/12/55/619521255.db2.gz BROXGKMTFNNIAA-UHFFFAOYSA-N -1 1 277.707 2.681 20 0 CFADMM CCCN(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895999207 619650779 /nfs/dbraw/zinc/65/07/79/619650779.db2.gz NLGZTVFQRMCSRD-UHFFFAOYSA-N -1 1 259.305 2.733 20 0 CFADMM CC1(C)CO[C@H](Cc2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000896221548 619693357 /nfs/dbraw/zinc/69/33/57/619693357.db2.gz TVEZKMCNWMVHHZ-SNVBAGLBSA-N -1 1 292.310 2.939 20 0 CFADMM CCCc1nc(CN2CC[C@H](C(=O)[O-])C[C@@H]2C)cs1 ZINC000233376129 620111276 /nfs/dbraw/zinc/11/12/76/620111276.db2.gz PSALBTBOZQWEKS-QWRGUYRKSA-N -1 1 282.409 2.781 20 0 CFADMM Cc1ccc(CNCc2ccc(C(=O)[O-])cc2)nc1C ZINC000263156888 620116459 /nfs/dbraw/zinc/11/64/59/620116459.db2.gz JLQQDCWYXDRMHS-UHFFFAOYSA-N -1 1 270.332 2.686 20 0 CFADMM CCC/C(C)=C\C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888117324 620121687 /nfs/dbraw/zinc/12/16/87/620121687.db2.gz FTUDNZUZCGKBHY-YFHOEESVSA-N -1 1 279.340 2.660 20 0 CFADMM CCc1ccc(C(=O)Nc2ccnn2C2CC2)c([O-])c1 ZINC000889686770 620254915 /nfs/dbraw/zinc/25/49/15/620254915.db2.gz YSANCTQXFUGVGC-UHFFFAOYSA-N -1 1 271.320 2.738 20 0 CFADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC(C2CC2)C1 ZINC000897809016 620288428 /nfs/dbraw/zinc/28/84/28/620288428.db2.gz QCSJFFOYPFWBFD-UHFFFAOYSA-N -1 1 283.327 2.733 20 0 CFADMM O=C([N-]Oc1ccc(F)cc1)[C@H]1CCOC2(CCC2)C1 ZINC000898579854 620480975 /nfs/dbraw/zinc/48/09/75/620480975.db2.gz WCFOAIZAHAOYTB-NSHDSACASA-N -1 1 279.311 2.585 20 0 CFADMM O=C([N-]Oc1ccc(F)cc1)[C@@H]1CCOC2(CCC2)C1 ZINC000898579852 620481077 /nfs/dbraw/zinc/48/10/77/620481077.db2.gz WCFOAIZAHAOYTB-LLVKDONJSA-N -1 1 279.311 2.585 20 0 CFADMM CC1(C)CO[C@@H](CC(=O)Nc2cccc(F)c2[O-])C1 ZINC000899142943 620524588 /nfs/dbraw/zinc/52/45/88/620524588.db2.gz YAJAWNWDUCUCFX-VIFPVBQESA-N -1 1 267.300 2.675 20 0 CFADMM Cc1[n-]n(-c2nc3ccccc3n2C)c(=O)c1C(C)C ZINC000899346605 620547256 /nfs/dbraw/zinc/54/72/56/620547256.db2.gz RELSMAPGOYKSAO-CYBMUJFWSA-N -1 1 270.336 2.568 20 0 CFADMM Cc1[n-]n(-c2cccc(Cl)n2)c(=O)c1C(C)C ZINC000899351066 620550383 /nfs/dbraw/zinc/55/03/83/620550383.db2.gz YPBYUSWNHOYUKU-LLVKDONJSA-N -1 1 251.717 2.730 20 0 CFADMM CC(C)c1c(Cc2ccccc2)[n-]n(-c2ccnn2C)c1=O ZINC000899364462 620551247 /nfs/dbraw/zinc/55/12/47/620551247.db2.gz WWHGKTRJXDOXGZ-INIZCTEOSA-N -1 1 296.374 2.638 20 0 CFADMM CCCc1[n-]n(C2C[C@H](C)O[C@@H](C)C2)c(=O)c1CC ZINC000899360598 620552465 /nfs/dbraw/zinc/55/24/65/620552465.db2.gz NSLHYCOPBNXKNG-GVXVVHGQSA-N -1 1 266.385 2.967 20 0 CFADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000899399054 620559876 /nfs/dbraw/zinc/55/98/76/620559876.db2.gz CGLALCZDLCLFPV-FOUMNBMASA-N -1 1 293.794 2.996 20 0 CFADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000899407135 620564034 /nfs/dbraw/zinc/56/40/34/620564034.db2.gz VDJJMRIGNPZIKX-YJQGPUDQSA-N -1 1 263.312 2.553 20 0 CFADMM CC(=O)c1cccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000899927883 620614388 /nfs/dbraw/zinc/61/43/88/620614388.db2.gz VGNAGVDAVJEIFJ-UHFFFAOYSA-N -1 1 297.314 2.515 20 0 CFADMM CC(C)CC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900077357 620632864 /nfs/dbraw/zinc/63/28/64/620632864.db2.gz ZHUKHZLWOSJSEI-JTQLQIEISA-N -1 1 277.368 2.614 20 0 CFADMM Cc1cc(C)cc([C@@H](NCc2ccncc2F)C(=O)[O-])c1 ZINC000901530454 620847296 /nfs/dbraw/zinc/84/72/96/620847296.db2.gz HTNFYXZIBAEKLZ-OAHLLOKOSA-N -1 1 288.322 2.753 20 0 CFADMM O=C([O-])[C@]1(F)CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000901515377 620853050 /nfs/dbraw/zinc/85/30/50/620853050.db2.gz BHTANGPMUTWNOH-HNNXBMFYSA-N -1 1 263.312 2.563 20 0 CFADMM O=C([O-])[C@]1(F)CCN(Cc2cccc(C3CC3)c2)C1 ZINC000901515377 620853051 /nfs/dbraw/zinc/85/30/51/620853051.db2.gz BHTANGPMUTWNOH-HNNXBMFYSA-N -1 1 263.312 2.563 20 0 CFADMM CCO[C@H](C)Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000901586074 620862549 /nfs/dbraw/zinc/86/25/49/620862549.db2.gz FBPNJHNKIIBXRU-QMMMGPOBSA-N -1 1 254.355 2.843 20 0 CFADMM CO[C@@H](CN[C@@H](C(=O)[O-])c1cccs1)CC(C)C ZINC000901598261 620871069 /nfs/dbraw/zinc/87/10/69/620871069.db2.gz LSCIMVBUOVPSPI-ZYHUDNBSSA-N -1 1 271.382 2.525 20 0 CFADMM Cc1nnsc1CN[C@H](CCC(=O)[O-])c1ccccc1 ZINC000901647797 620880431 /nfs/dbraw/zinc/88/04/31/620880431.db2.gz NWDGGEMMDCHUTA-GFCCVEGCSA-N -1 1 291.376 2.542 20 0 CFADMM O=C([O-])C1=CC[C@H](NCc2c(Cl)cncc2Cl)C1 ZINC000901730574 620902712 /nfs/dbraw/zinc/90/27/12/620902712.db2.gz IYDHZVBJIRGXOL-QMMMGPOBSA-N -1 1 287.146 2.651 20 0 CFADMM C[C@H](NC[C@@H]1CC1(Cl)Cl)c1ncc(C(=O)[O-])s1 ZINC000901907700 620937995 /nfs/dbraw/zinc/93/79/95/620937995.db2.gz JBRBKKMZGVCFDV-WDSKDSINSA-N -1 1 295.191 2.686 20 0 CFADMM C[C@H](CSCCF)N[C@H](C)c1ncc(C(=O)[O-])s1 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COc1cccc2c1CC[C@@H]2NCc1cccc(C(=O)[O-])n1 ZINC000902222080 621000322 /nfs/dbraw/zinc/00/03/22/621000322.db2.gz LBZDBZYQBVMQQM-AWEZNQCLSA-N -1 1 298.342 2.566 20 0 CFADMM COc1cccc(CNCc2cc(C(=O)[O-])oc2C)c1C ZINC000902296785 621024800 /nfs/dbraw/zinc/02/48/00/621024800.db2.gz HRAXJCHQEYSTDX-UHFFFAOYSA-N -1 1 289.331 2.893 20 0 CFADMM C[C@@H]1CCc2ccccc2[C@H]1NCc1cc(C(=O)[O-])no1 ZINC000902337264 621041659 /nfs/dbraw/zinc/04/16/59/621041659.db2.gz LEVNOOXEKYGXSV-BMIGLBTASA-N -1 1 286.331 2.786 20 0 CFADMM CCc1oc(CN2CC[C@H](OCC(C)C)C2)cc1C(=O)[O-] ZINC000902406708 621055887 /nfs/dbraw/zinc/05/58/87/621055887.db2.gz UJCFTOFGXQPWGV-LBPRGKRZSA-N -1 1 295.379 2.787 20 0 CFADMM CCN(Cc1cc(C(=O)[O-])no1)Cc1c[nH]c2ccccc12 ZINC000902446222 621075123 /nfs/dbraw/zinc/07/51/23/621075123.db2.gz SUUPFLBOQNXLSW-UHFFFAOYSA-N -1 1 299.330 2.876 20 0 CFADMM CC1(C)CCN1Cc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC000902523974 621117385 /nfs/dbraw/zinc/11/73/85/621117385.db2.gz ICVMVTJFOLKXRT-UHFFFAOYSA-N -1 1 285.347 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LLNYRKVGOYUITF-VIFPVBQESA-N -1 1 257.280 2.665 20 0 CFADMM C[C@H](CC(=O)[N-]OCC(F)F)c1ccc(F)cc1F ZINC000759336976 626646779 /nfs/dbraw/zinc/64/67/79/626646779.db2.gz HPTILSXEUYZUBR-SSDOTTSWSA-N -1 1 279.233 2.771 20 0 CFADMM O=C(/C=C\c1cccnc1)Nc1c([O-])cccc1F ZINC000760196714 626719093 /nfs/dbraw/zinc/71/90/93/626719093.db2.gz OYYCHCLBMULBPM-SREVYHEPSA-N -1 1 258.252 2.578 20 0 CFADMM Cc1ccc(CC(=O)[N-]O[C@@H]2CCCCO2)c(Cl)c1 ZINC000762186365 626901738 /nfs/dbraw/zinc/90/17/38/626901738.db2.gz ZZWSHXHZAYVCPD-CQSZACIVSA-N -1 1 283.755 2.765 20 0 CFADMM O=C(Nc1nccc2ccncc21)c1ccccc1[O-] ZINC000763318786 626978500 /nfs/dbraw/zinc/97/85/00/626978500.db2.gz DHGSIYWXMYJNGB-UHFFFAOYSA-N -1 1 265.272 2.588 20 0 CFADMM CCN(CC1CC1)C(=O)c1c([O-])cccc1Cl ZINC000764231823 627046633 /nfs/dbraw/zinc/04/66/33/627046633.db2.gz BOSFHFQGKHFJGI-UHFFFAOYSA-N -1 1 253.729 2.918 20 0 CFADMM O=C(NCc1ccc(F)cn1)c1c([O-])cccc1Cl ZINC000764344292 627052178 /nfs/dbraw/zinc/05/21/78/627052178.db2.gz 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FCFKKNWCGRKNRK-UHFFFAOYSA-N -1 1 253.729 2.964 20 0 CFADMM Cc1c(C(=O)[N-]N2CCCC2=O)oc2c1c(C)ccc2C ZINC000770537743 627528380 /nfs/dbraw/zinc/52/83/80/627528380.db2.gz OHCHUPHPWDAVJN-UHFFFAOYSA-N -1 1 286.331 2.625 20 0 CFADMM CCCC(=CC(=O)NC1(c2nn[n-]n2)CCCC1)CCC ZINC000770754441 627546367 /nfs/dbraw/zinc/54/63/67/627546367.db2.gz DZZLVQFHKOSYBY-UHFFFAOYSA-N -1 1 291.399 2.612 20 0 CFADMM COc1ccc(-c2nc(-c3ccc(C)[nH]c3=O)no2)c([O-])c1 ZINC000771143810 627581243 /nfs/dbraw/zinc/58/12/43/627581243.db2.gz UCBFJOHYEDCIQT-UHFFFAOYSA-N -1 1 299.286 2.527 20 0 CFADMM Cc1cc([N-]C(=O)c2c(F)ccc(F)c2F)no1 ZINC000771933270 627649777 /nfs/dbraw/zinc/64/97/77/627649777.db2.gz FEWVDMSFOZBOTH-UHFFFAOYSA-N -1 1 256.183 2.653 20 0 CFADMM O=C([N-]Oc1ccccc1)[C@@H]1CCCN1Cc1ccccc1 ZINC000773463122 627822723 /nfs/dbraw/zinc/82/27/23/627822723.db2.gz ZZFZTFXZHFHQJT-KRWDZBQOSA-N -1 1 296.370 2.761 20 0 CFADMM CCN(C)[C@@H](C(=O)[N-]Oc1ccccc1)c1ccccc1 ZINC000773462074 627822789 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CFADMM CCS(=O)(=O)c1ccc(-c2c(F)ccc(C)c2[O-])nc1 ZINC001236390864 778799702 /nfs/dbraw/zinc/79/97/02/778799702.db2.gz GPSPDYLAQQVFCH-UHFFFAOYSA-N -1 1 295.335 2.695 20 0 CFADMM Cc1ccc(F)c(-c2cc3c(cn2)ncn3C)c1[O-] ZINC001236392072 778800551 /nfs/dbraw/zinc/80/05/51/778800551.db2.gz LBJDFJNDXHGOLD-UHFFFAOYSA-N -1 1 257.268 2.788 20 0 CFADMM C[C@@H]1CC[C@@H](OCCCC[P@](=O)([O-])O)C[C@@H]1C ZINC001225021405 778816753 /nfs/dbraw/zinc/81/67/53/778816753.db2.gz HCPBLZBPIICZMY-GRYCIOLGSA-N -1 1 264.302 2.786 20 0 CFADMM C[C@H](OCCCC[P@](=O)([O-])O)c1ccccc1F ZINC001225023527 778817737 /nfs/dbraw/zinc/81/77/37/778817737.db2.gz XGXZSOYMSFTJBH-JTQLQIEISA-N -1 1 276.244 2.861 20 0 CFADMM FC1(F)C[C@H]2CN(Cc3ccc([S-])cc3)CCN2C1 ZINC001233262272 779030479 /nfs/dbraw/zinc/03/04/79/779030479.db2.gz YWJNSPJEGCJIJJ-LBPRGKRZSA-N -1 1 284.375 2.501 20 0 CFADMM O=C([O-])c1c(F)ccc(-c2cccc3cncn32)c1F ZINC001205100450 779205577 /nfs/dbraw/zinc/20/55/77/779205577.db2.gz PUIFREXSWQKUGM-UHFFFAOYSA-N -1 1 274.226 2.978 20 0 CFADMM O=C1CCC[C@H]2CN(Cc3cc(Cl)c([O-])cc3F)C[C@H]12 ZINC001238151274 779263251 /nfs/dbraw/zinc/26/32/51/779263251.db2.gz AOENICRNRBPUKT-ONGXEEELSA-N -1 1 297.757 2.986 20 0 CFADMM CN1CCN(c2cc(-c3ccccc3[S-])ccn2)CC1 ZINC001238820873 779398869 /nfs/dbraw/zinc/39/88/69/779398869.db2.gz GMBWKXBAOBCYPY-UHFFFAOYSA-N -1 1 285.416 2.789 20 0 CFADMM c1cc(C2CC2)ccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001238831226 779401550 /nfs/dbraw/zinc/40/15/50/779401550.db2.gz HSCAAEJAOAJTKV-UHFFFAOYSA-N -1 1 263.304 2.806 20 0 CFADMM c1cc(C2CC2)ccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001238831226 779401553 /nfs/dbraw/zinc/40/15/53/779401553.db2.gz HSCAAEJAOAJTKV-UHFFFAOYSA-N -1 1 263.304 2.806 20 0 CFADMM FC(F)(F)c1ccccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001239547375 779620388 /nfs/dbraw/zinc/62/03/88/779620388.db2.gz DSOYOCIVXIMLMU-UHFFFAOYSA-N -1 1 291.236 2.948 20 0 CFADMM FC(F)(F)c1ccccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001239547375 779620396 /nfs/dbraw/zinc/62/03/96/779620396.db2.gz DSOYOCIVXIMLMU-UHFFFAOYSA-N -1 1 291.236 2.948 20 0 CFADMM O=C(c1ccc(-c2ccc([S-])cc2)cc1)N1CCNCC1 ZINC001240123425 779949031 /nfs/dbraw/zinc/94/90/31/779949031.db2.gz LCEPFRHOAVZADU-UHFFFAOYSA-N -1 1 298.411 2.688 20 0 CFADMM CNc1ccc(Nc2cc([O-])c(F)c(F)c2)cn1 ZINC001203458957 779977817 /nfs/dbraw/zinc/97/78/17/779977817.db2.gz VPDXKMAIZVYCTC-UHFFFAOYSA-N -1 1 251.236 2.851 20 0 CFADMM O=C1Cc2cc(-c3ccc4ncsc4c3)ccc2C(=O)[N-]1 ZINC001240347948 780098792 /nfs/dbraw/zinc/09/87/92/780098792.db2.gz WZCATARQMBANAH-UHFFFAOYSA-N -1 1 294.335 2.776 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccc(F)cc3F)no2)[nH]n1 ZINC001212429891 780173949 /nfs/dbraw/zinc/17/39/49/780173949.db2.gz PMSAUVWCMUIQIF-UHFFFAOYSA-N -1 1 290.229 2.608 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccc(F)cc3F)no2)n[n-]1 ZINC001212429891 780173955 /nfs/dbraw/zinc/17/39/55/780173955.db2.gz PMSAUVWCMUIQIF-UHFFFAOYSA-N -1 1 290.229 2.608 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccc(F)cc3F)no2)[n-]n1 ZINC001212429891 780173957 /nfs/dbraw/zinc/17/39/57/780173957.db2.gz PMSAUVWCMUIQIF-UHFFFAOYSA-N -1 1 290.229 2.608 20 0 CFADMM Cc1nc2ccc(-c3cc(F)ccc3[O-])nc2n1C ZINC001240693212 780365481 /nfs/dbraw/zinc/36/54/81/780365481.db2.gz HHGYAKGPPQDGFE-UHFFFAOYSA-N -1 1 257.268 2.788 20 0 CFADMM CCCNC(=O)c1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240695216 780365759 /nfs/dbraw/zinc/36/57/59/780365759.db2.gz FPJNJFONXPVKPP-UHFFFAOYSA-N -1 1 274.295 2.733 20 0 CFADMM CC(C)c1nc2c(ncnc2-c2cc(F)ccc2[O-])[nH]1 ZINC001240695569 780366733 /nfs/dbraw/zinc/36/67/33/780366733.db2.gz MRQWKHRNEUKVKV-UHFFFAOYSA-N -1 1 272.283 2.988 20 0 CFADMM COC(=O)c1cccc2c1ncnc2-c1cc(F)ccc1[O-] ZINC001240694588 780366771 /nfs/dbraw/zinc/36/67/71/780366771.db2.gz ZUNXPUSPSRLROJ-UHFFFAOYSA-N -1 1 298.273 2.928 20 0 CFADMM [O-]c1ccc(F)cc1-c1cncc(OCC(F)(F)F)n1 ZINC001240695615 780366812 /nfs/dbraw/zinc/36/68/12/780366812.db2.gz OJQBFGBJUJLACH-UHFFFAOYSA-N -1 1 288.200 2.929 20 0 CFADMM [O-]c1ccc(F)cc1-c1nccnc1OC1CCC1 ZINC001240696185 780368559 /nfs/dbraw/zinc/36/85/59/780368559.db2.gz FZXBYZKKJYZFKO-UHFFFAOYSA-N -1 1 260.268 2.920 20 0 CFADMM [O-]c1ccc(F)cc1-c1cnc(OC2CCOCC2)cn1 ZINC001240697867 780369024 /nfs/dbraw/zinc/36/90/24/780369024.db2.gz CUKUYUIDEFCJLG-UHFFFAOYSA-N -1 1 290.294 2.546 20 0 CFADMM COc1cc(C(=O)[O-])ccc1-c1cncc2[nH]c(C)nc21 ZINC001240735785 780403123 /nfs/dbraw/zinc/40/31/23/780403123.db2.gz DEYKPQXOAAVPKQ-UHFFFAOYSA-N -1 1 283.287 2.640 20 0 CFADMM COc1cc(C(=O)[O-])ccc1-c1c[nH]cc2nc(C)nc1-2 ZINC001240735785 780403128 /nfs/dbraw/zinc/40/31/28/780403128.db2.gz DEYKPQXOAAVPKQ-UHFFFAOYSA-N -1 1 283.287 2.640 20 0 CFADMM [O-]c1ccc(-c2cc(OCC3CC3)ncn2)cc1F ZINC001240781720 780434750 /nfs/dbraw/zinc/43/47/50/780434750.db2.gz GGWZGJLYGLSFLO-UHFFFAOYSA-N -1 1 260.268 2.777 20 0 CFADMM [O-]c1ccc(-c2cncc(N3CCCC3)n2)cc1F ZINC001240782176 780436683 /nfs/dbraw/zinc/43/66/83/780436683.db2.gz SQTJYDAGLIFTJV-UHFFFAOYSA-N -1 1 259.284 2.589 20 0 CFADMM COC(=O)c1cc(C)cnc1-c1ccc([O-])c(F)c1 ZINC001240783890 780437644 /nfs/dbraw/zinc/43/76/44/780437644.db2.gz ZQLOVWJNRLLLKD-UHFFFAOYSA-N -1 1 261.252 2.688 20 0 CFADMM O=[P@@]([O-])(O)c1ccc(-c2ccc3cc[nH]c3c2)cc1 ZINC001240797341 780451092 /nfs/dbraw/zinc/45/10/92/780451092.db2.gz CJBIOCJYMHOGGV-UHFFFAOYSA-N -1 1 273.228 2.638 20 0 CFADMM O=[P@]([O-])(O)c1ccc(-c2ccc3cc[nH]c3c2)cc1 ZINC001240797341 780451099 /nfs/dbraw/zinc/45/10/99/780451099.db2.gz CJBIOCJYMHOGGV-UHFFFAOYSA-N -1 1 273.228 2.638 20 0 CFADMM O=C1Cc2cc(-c3ccc4cc[nH]c4c3)ccc2C(=O)[N-]1 ZINC001240800335 780452066 /nfs/dbraw/zinc/45/20/66/780452066.db2.gz SALSEXUZVVEMRX-UHFFFAOYSA-N -1 1 276.295 2.647 20 0 CFADMM Cc1c2[nH]cnc2ncc1-c1ccc(C(=O)[O-])s1 ZINC001240847522 780473639 /nfs/dbraw/zinc/47/36/39/780473639.db2.gz WHXONJIGGGGDJB-UHFFFAOYSA-N -1 1 259.290 2.693 20 0 CFADMM CSc1cc(-c2c(F)cc([O-])cc2F)ncn1 ZINC001241116931 780645073 /nfs/dbraw/zinc/64/50/73/780645073.db2.gz ICRVNSPMCVWSFY-UHFFFAOYSA-N -1 1 254.261 2.849 20 0 CFADMM Cc1nc(-c2c(F)cc([O-])cc2F)cc(N(C)C)n1 ZINC001241117476 780646540 /nfs/dbraw/zinc/64/65/40/780646540.db2.gz QBGYXPNEDCCTRV-UHFFFAOYSA-N -1 1 265.263 2.502 20 0 CFADMM Cc1nccn1-c1cc(-c2c(F)cc([O-])cc2F)ncn1 ZINC001241119094 780647565 /nfs/dbraw/zinc/64/75/65/780647565.db2.gz XHFPCSIXACMWSL-UHFFFAOYSA-N -1 1 288.257 2.622 20 0 CFADMM Cn1nnc2cc(-c3c(F)cc([O-])cc3F)ccc21 ZINC001241120617 780648570 /nfs/dbraw/zinc/64/85/70/780648570.db2.gz CWLJFUMFGOFGDZ-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM [O-]c1cc(F)c(-c2cc(-n3ccnc3)ccn2)c(F)c1 ZINC001241120227 780648627 /nfs/dbraw/zinc/64/86/27/780648627.db2.gz WWWPHONQIKHTTO-UHFFFAOYSA-N -1 1 273.242 2.918 20 0 CFADMM Cc1nc2c(c(-c3c(F)cc([O-])cc3F)n1)CCC2 ZINC001241120335 780648883 /nfs/dbraw/zinc/64/88/83/780648883.db2.gz PECYRNTZXXSLLY-UHFFFAOYSA-N -1 1 262.259 2.925 20 0 CFADMM COC(=O)c1ccncc1-c1c(F)cc([O-])cc1F ZINC001241121695 780649717 /nfs/dbraw/zinc/64/97/17/780649717.db2.gz BTVLXMGEODRZHU-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM CCc1nnc2ccc(-c3c(F)cc([O-])cc3F)cn21 ZINC001241120815 780649787 /nfs/dbraw/zinc/64/97/87/780649787.db2.gz MOJCBOOASOOVQK-UHFFFAOYSA-N -1 1 275.258 2.943 20 0 CFADMM O=c1cnc(-c2c(F)cc([O-])cc2F)cn1CC1CCC1 ZINC001241121541 780649955 /nfs/dbraw/zinc/64/99/55/780649955.db2.gz MCRFFICUTUDWQU-UHFFFAOYSA-N -1 1 292.285 2.694 20 0 CFADMM O=C1Cc2ccc(-c3c(F)cc([O-])cc3F)cc2N1 ZINC001241121671 780650995 /nfs/dbraw/zinc/65/09/95/780650995.db2.gz ALHBJTSMIXCDME-UHFFFAOYSA-N -1 1 261.227 2.832 20 0 CFADMM COC(=O)c1ncc(-c2c(F)cc([O-])cc2F)cc1C ZINC001241121971 780651128 /nfs/dbraw/zinc/65/11/28/780651128.db2.gz GHDLVRIINFJOSA-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM O=C1Cc2c(cccc2-c2c(F)cc([O-])cc2F)CN1 ZINC001241122179 780651220 /nfs/dbraw/zinc/65/12/20/780651220.db2.gz VYLRXVZPWSBQQH-UHFFFAOYSA-N -1 1 275.254 2.510 20 0 CFADMM CCOc1cnc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241121865 780651407 /nfs/dbraw/zinc/65/14/07/780651407.db2.gz QJOXIGDGKWPVRY-UHFFFAOYSA-N -1 1 252.220 2.526 20 0 CFADMM CC(=O)Nc1cc(C)c(-c2c(F)cc([O-])cc2F)cn1 ZINC001241122853 780652570 /nfs/dbraw/zinc/65/25/70/780652570.db2.gz OBMKZHDLKNIZKL-UHFFFAOYSA-N -1 1 278.258 2.999 20 0 CFADMM [O-]c1ccc(F)c(-c2cncc(N3CCCC3)n2)c1F ZINC001241289026 780758603 /nfs/dbraw/zinc/75/86/03/780758603.db2.gz HHKRTKKHZDQTBU-UHFFFAOYSA-N -1 1 277.274 2.728 20 0 CFADMM COc1ccnc(-c2c(F)ccc([O-])c2F)c1F ZINC001241290355 780760101 /nfs/dbraw/zinc/76/01/01/780760101.db2.gz QLHOWYSJHWPHHD-UHFFFAOYSA-N -1 1 255.195 2.880 20 0 CFADMM CCOC(=O)c1ccnc(-c2c(F)ccc([O-])c2F)c1 ZINC001241291518 780761072 /nfs/dbraw/zinc/76/10/72/780761072.db2.gz ZTGARRXUFCZUAC-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM [O-]c1ccc(F)c(-c2ncnc3cnccc32)c1F ZINC001241291145 780761960 /nfs/dbraw/zinc/76/19/60/780761960.db2.gz GFUSGLKJASPTCI-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM CSc1ccnc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291903 780763447 /nfs/dbraw/zinc/76/34/47/780763447.db2.gz WYKLKIBREXKFMK-UHFFFAOYSA-N -1 1 254.261 2.849 20 0 CFADMM O=c1cnc(-c2c(F)ccc([O-])c2F)cn1CC1CCC1 ZINC001241294310 780764114 /nfs/dbraw/zinc/76/41/14/780764114.db2.gz PLSIQIYZRKNBBP-UHFFFAOYSA-N -1 1 292.285 2.694 20 0 CFADMM CSc1cccc(-c2nc(C)cc3c2C(=O)[N-]C3=O)c1 ZINC001241312846 780774519 /nfs/dbraw/zinc/77/45/19/780774519.db2.gz FXUYMGYMZLLSJO-UHFFFAOYSA-N -1 1 284.340 2.663 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc(C)cc3F)nc2[n-]1 ZINC001241355173 780804760 /nfs/dbraw/zinc/80/47/60/780804760.db2.gz GOCBQSMLTJRECM-UHFFFAOYSA-N -1 1 285.278 2.859 20 0 CFADMM CCCOc1ccc(-c2nc(C)cc3c2C(=O)[N-]C3=O)cc1 ZINC001241742673 781105117 /nfs/dbraw/zinc/10/51/17/781105117.db2.gz SMOLQJPDBIDKGD-UHFFFAOYSA-N -1 1 296.326 2.729 20 0 CFADMM COC(=O)c1nc2cc(-c3cccc4c3OCC4)ccc2[n-]1 ZINC001242011040 781229037 /nfs/dbraw/zinc/22/90/37/781229037.db2.gz VCQAYPUHXVEXIV-UHFFFAOYSA-N -1 1 294.310 2.951 20 0 CFADMM COC(=O)c1nc2ccc(-c3cccc4c3OCC4)cc2[n-]1 ZINC001242011040 781229043 /nfs/dbraw/zinc/22/90/43/781229043.db2.gz VCQAYPUHXVEXIV-UHFFFAOYSA-N -1 1 294.310 2.951 20 0 CFADMM CO[C@H](C)c1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001242033234 781244225 /nfs/dbraw/zinc/24/42/25/781244225.db2.gz VVKBROJZCBOFIW-SNVBAGLBSA-N -1 1 281.319 2.636 20 0 CFADMM CO[C@H](C)c1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001242033234 781244228 /nfs/dbraw/zinc/24/42/28/781244228.db2.gz VVKBROJZCBOFIW-SNVBAGLBSA-N -1 1 281.319 2.636 20 0 CFADMM COC(=O)c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nn1 ZINC001242148252 781301232 /nfs/dbraw/zinc/30/12/32/781301232.db2.gz PYAWGKCDKDIDTF-UHFFFAOYSA-N -1 1 298.220 2.655 20 0 CFADMM NC(=O)c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nc1 ZINC001242151232 781303145 /nfs/dbraw/zinc/30/31/45/781303145.db2.gz IBQCMZUDNVULHC-UHFFFAOYSA-N -1 1 282.221 2.572 20 0 CFADMM [O-]c1ccc(-c2cc3c(nn2)OCCO3)cc1C(F)(F)F ZINC001242151606 781303348 /nfs/dbraw/zinc/30/33/48/781303348.db2.gz RRZWOTHWBJYEHV-UHFFFAOYSA-N -1 1 298.220 2.639 20 0 CFADMM O=c1c(-c2ccc(F)cc2[O-])cccn1CC1CC1 ZINC001242219485 781334693 /nfs/dbraw/zinc/33/46/93/781334693.db2.gz HJAKKRXVZDFAHD-UHFFFAOYSA-N -1 1 259.280 2.770 20 0 CFADMM O=C([O-])Cc1cccc(-c2cc3[nH]ccc3cn2)c1 ZINC001242260385 781346830 /nfs/dbraw/zinc/34/68/30/781346830.db2.gz RFGKYZLHKHFPFN-UHFFFAOYSA-N -1 1 252.273 2.857 20 0 CFADMM O=c1cc(-c2cccc(F)c2[O-])cnn1Cc1ccccc1 ZINC001242351402 781422762 /nfs/dbraw/zinc/42/27/62/781422762.db2.gz USCKXLLNXCLJRE-UHFFFAOYSA-N -1 1 296.301 2.803 20 0 CFADMM [O-]c1c(F)cccc1-c1cnc(OCc2ccccn2)nc1 ZINC001242352655 781426232 /nfs/dbraw/zinc/42/62/32/781426232.db2.gz MAXIAEWHSSDZAO-UHFFFAOYSA-N -1 1 297.289 2.962 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](CF)C1 ZINC000711472607 781437445 /nfs/dbraw/zinc/43/74/45/781437445.db2.gz VATCUGNOFQJUIV-LLVKDONJSA-N -1 1 273.307 2.977 20 0 CFADMM CNC(=O)c1ncc(-c2cccc(Cl)c2[O-])cc1C ZINC001242368065 781440453 /nfs/dbraw/zinc/44/04/53/781440453.db2.gz WOVTYDDPPIIWQC-UHFFFAOYSA-N -1 1 276.723 2.776 20 0 CFADMM COCc1cc(-c2cccc([O-])c2Cl)ncn1 ZINC001242796880 781763163 /nfs/dbraw/zinc/76/31/63/781763163.db2.gz BSKBTQTZBZCSTM-UHFFFAOYSA-N -1 1 250.685 2.649 20 0 CFADMM COC(=O)Cc1cccc(-c2cccc([O-])c2Cl)n1 ZINC001242797811 781764081 /nfs/dbraw/zinc/76/40/81/781764081.db2.gz MZLRCEOBNGAOPV-UHFFFAOYSA-N -1 1 277.707 2.823 20 0 CFADMM O=C1CSc2ncnc(-c3cccc([O-])c3Cl)c2N1 ZINC001242799472 781765808 /nfs/dbraw/zinc/76/58/08/781765808.db2.gz MZNUTLIJJHHMHO-UHFFFAOYSA-N -1 1 293.735 2.547 20 0 CFADMM Cn1c(=O)cnc2ccc(-c3cccc([O-])c3Cl)cc21 ZINC001242801251 781766260 /nfs/dbraw/zinc/76/62/60/781766260.db2.gz ZYVMVBVBGVUSHS-UHFFFAOYSA-N -1 1 286.718 2.960 20 0 CFADMM Cc1cc(-c2cccc([O-])c2Cl)cnc1C(N)=O ZINC001242802832 781767875 /nfs/dbraw/zinc/76/78/75/781767875.db2.gz IYLUSBAUBKMTFW-UHFFFAOYSA-N -1 1 262.696 2.515 20 0 CFADMM Cc1ncc(-c2cccc([O-])c2Cl)cc1C(N)=O ZINC001242803167 781768689 /nfs/dbraw/zinc/76/86/89/781768689.db2.gz NFXRVDOGEKXIMI-UHFFFAOYSA-N -1 1 262.696 2.515 20 0 CFADMM CN1CCN(c2cccc(-c3cccc([S-])c3)n2)CC1 ZINC001242865762 781810505 /nfs/dbraw/zinc/81/05/05/781810505.db2.gz AVTZDVUBCWPGJM-UHFFFAOYSA-N -1 1 285.416 2.789 20 0 CFADMM COc1c(C(=O)[O-])cccc1-c1cncc2cc[nH]c21 ZINC001242922323 781842964 /nfs/dbraw/zinc/84/29/64/781842964.db2.gz HNKWHXLQCMLSFS-UHFFFAOYSA-N -1 1 268.272 2.937 20 0 CFADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000822600434 781906909 /nfs/dbraw/zinc/90/69/09/781906909.db2.gz TXSMKUQAFCQHJY-NXEZZACHSA-N -1 1 277.368 2.614 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1 ZINC000095558409 185008859 /nfs/dbraw/zinc/00/88/59/185008859.db2.gz ZKZHODHOZSQQPK-UHFFFAOYSA-N -1 1 287.344 2.672 20 0 CFADMM CCc1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000192665360 529542013 /nfs/dbraw/zinc/54/20/13/529542013.db2.gz YVGUSZQNJOZVSR-UHFFFAOYSA-N -1 1 257.289 2.913 20 0 CFADMM CCc1cc(=O)[n-]c(SC2CC(OC(C)C)C2)n1 ZINC000413007656 529567321 /nfs/dbraw/zinc/56/73/21/529567321.db2.gz UGQVUOXQVMAZPT-UHFFFAOYSA-N -1 1 268.382 2.793 20 0 CFADMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)[nH]n1 ZINC000126167726 187221952 /nfs/dbraw/zinc/22/19/52/187221952.db2.gz UHRZIHLTGGLTAC-UHFFFAOYSA-N -1 1 299.783 2.987 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H](CCO)C1 ZINC000314747923 539361567 /nfs/dbraw/zinc/36/15/67/539361567.db2.gz MENVIKZDJLHLSL-CYBMUJFWSA-N -1 1 299.370 2.780 20 0 CFADMM O=c1nc(-c2ccon2)[n-]c2sc3c(c21)CCCCC3 ZINC000074797462 347035605 /nfs/dbraw/zinc/03/56/05/347035605.db2.gz AKOVOAWBIWJUQF-UHFFFAOYSA-N -1 1 287.344 2.909 20 0 CFADMM CCSCC[C@@H](C)NC(=O)c1c([O-])cccc1F ZINC000127286602 187294328 /nfs/dbraw/zinc/29/43/28/187294328.db2.gz UQYJYLBCXKRODG-SECBINFHSA-N -1 1 271.357 2.793 20 0 CFADMM Cc1ccoc1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000229474975 539464974 /nfs/dbraw/zinc/46/49/74/539464974.db2.gz FPWFVLKHISQNJB-SNVBAGLBSA-N -1 1 265.334 2.955 20 0 CFADMM Cc1cc(C)n([C@@H](C)C(=O)Nc2c([O-])cccc2F)n1 ZINC000089541332 539468892 /nfs/dbraw/zinc/46/88/92/539468892.db2.gz HUOQYPCUMOSMAY-JTQLQIEISA-N -1 1 277.299 2.544 20 0 CFADMM Cc1ccccc1CCNC(=O)c1c([O-])cccc1F ZINC000163614321 232257804 /nfs/dbraw/zinc/25/78/04/232257804.db2.gz KDWDBUKEGYYWSC-UHFFFAOYSA-N -1 1 273.307 2.812 20 0 CFADMM C[C@H](Cc1cccs1)NC(=O)c1c([O-])cccc1F ZINC000163770810 232258404 /nfs/dbraw/zinc/25/84/04/232258404.db2.gz LJJIETGNYFXQNR-SECBINFHSA-N -1 1 279.336 2.954 20 0 CFADMM COC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccco1 ZINC000173795523 232281896 /nfs/dbraw/zinc/28/18/96/232281896.db2.gz ZXNONYJPRGZNAC-LLVKDONJSA-N -1 1 295.722 2.756 20 0 CFADMM O=C(NCCCn1cccn1)c1cc2ccccc2cc1[O-] ZINC000030170946 346286585 /nfs/dbraw/zinc/28/65/85/346286585.db2.gz QLQMPEZAZXCPQF-UHFFFAOYSA-N -1 1 295.342 2.562 20 0 CFADMM CCc1cc(=O)[n-]c(SCc2ccc(OC)cc2)n1 ZINC000041626598 346354128 /nfs/dbraw/zinc/35/41/28/346354128.db2.gz KHEMNYMRKYYGGG-UHFFFAOYSA-N -1 1 276.361 2.633 20 0 CFADMM Cc1csc(CN[C@@]2(C(=O)[O-])CCC[C@@H](C)C2)n1 ZINC000041812567 346355428 /nfs/dbraw/zinc/35/54/28/346355428.db2.gz VYKTWNOILGTEOE-RNCFNFMXSA-N -1 1 268.382 2.575 20 0 CFADMM COc1ccc(C(=O)Nc2cc(C)ccc2O)c([O-])c1 ZINC000050178794 346491027 /nfs/dbraw/zinc/49/10/27/346491027.db2.gz WOROGPIZPNHUSV-UHFFFAOYSA-N -1 1 273.288 2.667 20 0 CFADMM CC(C)n1ccc(CN2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC000069989209 539545838 /nfs/dbraw/zinc/54/58/38/539545838.db2.gz PETBUOICCHFLDG-ZDUSSCGKSA-N -1 1 279.384 2.541 20 0 CFADMM C[C@@H]1CCc2c(sc3[n-]c(-c4ncccn4)nc(=O)c23)C1 ZINC000054752392 346575914 /nfs/dbraw/zinc/57/59/14/346575914.db2.gz KWTBYNSSTKJPKA-MRVPVSSYSA-N -1 1 298.371 2.566 20 0 CFADMM O=C(NCCCCc1ccccc1)c1ncccc1[O-] ZINC000060075969 346659488 /nfs/dbraw/zinc/65/94/88/346659488.db2.gz IBRXUIGGSAIYPG-UHFFFAOYSA-N -1 1 270.332 2.540 20 0 CFADMM CC(C)(C)c1cnc(CN2CCC[C@](C)(C(=O)[O-])C2)o1 ZINC000062876422 346692338 /nfs/dbraw/zinc/69/23/38/346692338.db2.gz IZUKEFWRSWRGDT-HNNXBMFYSA-N -1 1 280.368 2.659 20 0 CFADMM CC(C)Cn1cc(NC(=O)c2cc(F)ccc2[O-])cn1 ZINC000080032270 347337838 /nfs/dbraw/zinc/33/78/38/347337838.db2.gz UHLDFKCLSSMQCZ-UHFFFAOYSA-N -1 1 277.299 2.636 20 0 CFADMM O=C(NCCc1ccc[nH]1)c1ccc2ccccc2c1[O-] ZINC000089350770 347516141 /nfs/dbraw/zinc/51/61/41/347516141.db2.gz RXLKQPYDOFJZKV-UHFFFAOYSA-N -1 1 280.327 2.846 20 0 CFADMM O=C([O-])C[C@H]1CSCCN1Cc1cccc(Cl)c1 ZINC000091132067 347571685 /nfs/dbraw/zinc/57/16/85/347571685.db2.gz GJLBUDOIGQWIHG-LBPRGKRZSA-N -1 1 285.796 2.732 20 0 CFADMM FC(F)Cn1cc([N-]c2nc(C3CC3)ns2)cn1 ZINC000092655302 347637092 /nfs/dbraw/zinc/63/70/92/347637092.db2.gz DXCVCNNYBYJMTB-UHFFFAOYSA-N -1 1 271.296 2.621 20 0 CFADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1csc(C(C)(C)C)n1 ZINC000092939521 347652884 /nfs/dbraw/zinc/65/28/84/347652884.db2.gz MFQYHKCLORZJDA-MWLCHTKSSA-N -1 1 282.409 2.736 20 0 CFADMM C[C@H](CN(C)Cc1cc(F)ccc1Cl)C(=O)[O-] ZINC000124452942 347824313 /nfs/dbraw/zinc/82/43/13/347824313.db2.gz RSWQWQIELJYJEK-MRVPVSSYSA-N -1 1 259.708 2.632 20 0 CFADMM CC[C@@H]1CN(Cc2cc(C(=O)[O-])oc2C)CCS1 ZINC000157712523 348001747 /nfs/dbraw/zinc/00/17/47/348001747.db2.gz TVGASLKJGUGUOB-LLVKDONJSA-N -1 1 269.366 2.614 20 0 CFADMM O=C(NCc1ccccc1)Nc1cccc(F)c1[O-] ZINC000168935350 348048933 /nfs/dbraw/zinc/04/89/33/348048933.db2.gz JSFNKWYDGSAQKC-UHFFFAOYSA-N -1 1 260.268 2.853 20 0 CFADMM COc1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(C)c1 ZINC000170708403 348059142 /nfs/dbraw/zinc/05/91/42/348059142.db2.gz IWEOOQMZWJOAKE-UHFFFAOYSA-N -1 1 295.335 2.944 20 0 CFADMM Cc1ccc2nc(-c3ccc4nccnc4c3)[n-]c(=O)c2c1 ZINC000172234890 348088503 /nfs/dbraw/zinc/08/85/03/348088503.db2.gz BCUUXGKATRZCGU-UHFFFAOYSA-N -1 1 288.310 2.842 20 0 CFADMM CS[C@@H]1CCCC[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000229788207 348202661 /nfs/dbraw/zinc/20/26/61/348202661.db2.gz OMKZYLIETCBNQR-CHWSQXEVSA-N -1 1 283.368 2.935 20 0 CFADMM Cc1nc(S[C@@H]2CCC(C)(C)C2=O)[n-]c(=O)c1C ZINC000413000091 232997629 /nfs/dbraw/zinc/99/76/29/232997629.db2.gz MUVXZYFHMNGKGJ-SECBINFHSA-N -1 1 266.366 2.649 20 0 CFADMM CC(C)[C@@H](NC(=O)c1ccc([O-])cc1F)C1CC1 ZINC000323902617 348439041 /nfs/dbraw/zinc/43/90/41/348439041.db2.gz PYYGEGSVJVARDS-CYBMUJFWSA-N -1 1 251.301 2.696 20 0 CFADMM COC1(c2nc(-c3ccc([O-])c(F)c3)no2)CCCC1 ZINC000350607954 348478376 /nfs/dbraw/zinc/47/83/76/348478376.db2.gz IUGKLDOJVXZTKI-UHFFFAOYSA-N -1 1 278.283 2.997 20 0 CFADMM COC[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000092228434 539674435 /nfs/dbraw/zinc/67/44/35/539674435.db2.gz MNRASYBCQLVSLT-AWEZNQCLSA-N -1 1 285.343 2.796 20 0 CFADMM CSCCCCNC(=O)c1ncc2ccccc2c1[O-] ZINC000597269122 350076403 /nfs/dbraw/zinc/07/64/03/350076403.db2.gz YHDMSGHCAGDBJN-UHFFFAOYSA-N -1 1 290.388 2.813 20 0 CFADMM CCSC1(CNC(=O)c2ccc([O-])cc2F)CC1 ZINC000598329623 350236242 /nfs/dbraw/zinc/23/62/42/350236242.db2.gz NQMJLKFRPAJMAI-UHFFFAOYSA-N -1 1 269.341 2.547 20 0 CFADMM COC(=O)CCCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000600557743 350570515 /nfs/dbraw/zinc/57/05/15/350570515.db2.gz RPFAANBQEIRUNK-UHFFFAOYSA-N -1 1 292.307 2.555 20 0 CFADMM CCOC(=O)C1(CC(=O)Nc2cccc(F)c2[O-])CCC1 ZINC000600447370 350556164 /nfs/dbraw/zinc/55/61/64/350556164.db2.gz YLVGQRDCNPJXMK-UHFFFAOYSA-N -1 1 295.310 2.593 20 0 CFADMM CCSCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000600673903 350595084 /nfs/dbraw/zinc/59/50/84/350595084.db2.gz JNMMGWBFFGLIAG-UHFFFAOYSA-N -1 1 283.368 2.635 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C)cc1 ZINC000109424012 186251405 /nfs/dbraw/zinc/25/14/05/186251405.db2.gz GIQQSILGAMHBTE-UHFFFAOYSA-N -1 1 290.388 2.862 20 0 CFADMM O=C(Nc1ccncc1[O-])c1ccc(Cl)s1 ZINC000109888997 186277460 /nfs/dbraw/zinc/27/74/60/186277460.db2.gz ZVBOEZQMPSZUTA-UHFFFAOYSA-N -1 1 254.698 2.754 20 0 CFADMM CC(C)c1cccc(OCC(=O)Nc2ccncc2[O-])c1 ZINC000109890771 186277931 /nfs/dbraw/zinc/27/79/31/186277931.db2.gz XBVKHEQEUWBOJW-UHFFFAOYSA-N -1 1 286.331 2.928 20 0 CFADMM CC(C)[C@H](CNC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000109947759 186279733 /nfs/dbraw/zinc/27/97/33/186279733.db2.gz AOFSWSYOBKGIKQ-INIZCTEOSA-N -1 1 284.359 2.957 20 0 CFADMM Cc1cc(NC(=O)c2cncc([O-])c2)ccc1N1CCCC1 ZINC000109943337 186280354 /nfs/dbraw/zinc/28/03/54/186280354.db2.gz ZORZIKHTHYFXJM-UHFFFAOYSA-N -1 1 297.358 2.948 20 0 CFADMM O=C(Nc1c([O-])cccc1F)[C@H]1COc2ccccc2C1 ZINC000605436793 351245845 /nfs/dbraw/zinc/24/58/45/351245845.db2.gz MHVHHUSELGYEJR-LLVKDONJSA-N -1 1 287.290 2.721 20 0 CFADMM O=C(CCc1nc2ccccc2[nH]1)Nc1c([O-])cccc1F ZINC000605440730 351246671 /nfs/dbraw/zinc/24/66/71/351246671.db2.gz ZIUVPKQAQMTHFL-UHFFFAOYSA-N -1 1 299.305 2.979 20 0 CFADMM CN(C)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000605440355 351246954 /nfs/dbraw/zinc/24/69/54/351246954.db2.gz QBOWXTUOARUEFD-UHFFFAOYSA-N -1 1 274.295 2.850 20 0 CFADMM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000606907198 351301977 /nfs/dbraw/zinc/30/19/77/351301977.db2.gz BJCWSWZPEDNASW-QMMMGPOBSA-N -1 1 295.326 2.674 20 0 CFADMM CC(=O)Nc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000608367102 351427413 /nfs/dbraw/zinc/42/74/13/351427413.db2.gz IJGCJSYDJJRILV-UHFFFAOYSA-N -1 1 288.278 2.742 20 0 CFADMM COc1cc(C)cc(C(=O)Nc2c([O-])cccc2F)c1O ZINC000608365618 351426011 /nfs/dbraw/zinc/42/60/11/351426011.db2.gz ORDMNZDCESSODZ-UHFFFAOYSA-N -1 1 291.278 2.806 20 0 CFADMM CC(C)c1noc(CCC(=O)Nc2c([O-])cccc2F)n1 ZINC000608365566 351426150 /nfs/dbraw/zinc/42/61/50/351426150.db2.gz NKLIJCLTYFTNDM-UHFFFAOYSA-N -1 1 293.298 2.609 20 0 CFADMM C[C@@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])[C@@H]1C ZINC000611936620 351752668 /nfs/dbraw/zinc/75/26/68/351752668.db2.gz MAADIHHZIQFTDE-GHMZBOCLSA-N -1 1 270.332 2.811 20 0 CFADMM CSc1ccncc1[N-]C(=O)c1onc2c1CCCC2 ZINC000612034139 351763745 /nfs/dbraw/zinc/76/37/45/351763745.db2.gz QYUDTOLZRLGNCS-UHFFFAOYSA-N -1 1 289.360 2.923 20 0 CFADMM COc1cccc(Cl)c1CC(=O)[N-]OC/C=C/Cl ZINC000291777563 198088892 /nfs/dbraw/zinc/08/88/92/198088892.db2.gz JEHISANSNGFPNX-ZZXKWVIFSA-N -1 1 290.146 2.691 20 0 CFADMM COc1ccccc1[C@H](C)CC(=O)Nc1c(C)[n-][nH]c1=O ZINC000615226951 352170001 /nfs/dbraw/zinc/17/00/01/352170001.db2.gz NJYUJMDSOZDYJV-SECBINFHSA-N -1 1 289.335 2.565 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC000615226919 352170005 /nfs/dbraw/zinc/17/00/05/352170005.db2.gz MXURORMHCDQCHY-KCJUWKMLSA-N -1 1 289.335 2.711 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000615226976 352170592 /nfs/dbraw/zinc/17/05/92/352170592.db2.gz NUTBFNOPKRAKQI-VHSXEESVSA-N -1 1 291.738 2.819 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000615227391 352170718 /nfs/dbraw/zinc/17/07/18/352170718.db2.gz QIEKZSZVAPGMPT-HTQZYQBOSA-N -1 1 291.273 2.731 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H]1C(F)(F)F ZINC000615033668 352145823 /nfs/dbraw/zinc/14/58/23/352145823.db2.gz POMRZBGLFSQDFV-VIFPVBQESA-N -1 1 279.645 2.822 20 0 CFADMM Cc1[n-][nH]c(=NC(=O)C2=CC[C@H](C)CC2)c1Br ZINC000616012051 352273681 /nfs/dbraw/zinc/27/36/81/352273681.db2.gz XKZMFSTVXNJZDG-ZETCQYMHSA-N -1 1 298.184 2.587 20 0 CFADMM C[C@@H]1CCC(C)(C)N1C(=O)c1ccc([O-])c(F)c1 ZINC000616164524 352293543 /nfs/dbraw/zinc/29/35/43/352293543.db2.gz DUZALDIRAUYRKQ-SECBINFHSA-N -1 1 251.301 2.934 20 0 CFADMM C[C@@H](CNC(=O)c1ncc2ccccc2c1[O-])CC(F)F ZINC000616458872 352352806 /nfs/dbraw/zinc/35/28/06/352352806.db2.gz OKCUKVKNWZZGRM-SECBINFHSA-N -1 1 294.301 2.962 20 0 CFADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)C1CC2(CC2)C1 ZINC000616332818 352329080 /nfs/dbraw/zinc/32/90/80/352329080.db2.gz IWZKCZJLVRHTAM-UHFFFAOYSA-N -1 1 273.361 2.689 20 0 CFADMM O=C(NCCC1CSC1)c1ccc(Cl)cc1[O-] ZINC000616403570 352343002 /nfs/dbraw/zinc/34/30/02/352343002.db2.gz XVVULQGQYVWATI-UHFFFAOYSA-N -1 1 271.769 2.529 20 0 CFADMM CCc1nocc1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000617093442 352496402 /nfs/dbraw/zinc/49/64/02/352496402.db2.gz OGSZICLBYYNSPP-UHFFFAOYSA-N -1 1 294.380 2.929 20 0 CFADMM Cc1[nH]nc(C(=O)Nc2nc(C(C)C)c(C)s2)c1[O-] ZINC000617246622 352523507 /nfs/dbraw/zinc/52/35/07/352523507.db2.gz KFCIWTBMOPLLIY-UHFFFAOYSA-N -1 1 280.353 2.564 20 0 CFADMM CC[C@@H](C)CCNC(=O)c1c(F)ccc([O-])c1F ZINC000617640946 352615285 /nfs/dbraw/zinc/61/52/85/352615285.db2.gz HIZLEIKXXVCPTQ-MRVPVSSYSA-N -1 1 257.280 2.836 20 0 CFADMM COCC1(N(C)C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000617473683 352569825 /nfs/dbraw/zinc/56/98/25/352569825.db2.gz JJBTXDZUJYYINF-UHFFFAOYSA-N -1 1 285.343 2.796 20 0 CFADMM C[C@@H](CO)[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000617853193 352658622 /nfs/dbraw/zinc/65/86/22/352658622.db2.gz LHGBHIZTIVWMGQ-GWCFXTLKSA-N -1 1 297.782 2.669 20 0 CFADMM C[C@H](CO)[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000617853196 352658902 /nfs/dbraw/zinc/65/89/02/352658902.db2.gz LHGBHIZTIVWMGQ-ZWNOBZJWSA-N -1 1 297.782 2.669 20 0 CFADMM O=C(c1cncc([O-])c1)N1CC[C@@H](C2CCCCC2)C1 ZINC000618186121 352733107 /nfs/dbraw/zinc/73/31/07/352733107.db2.gz FLZLXYIGJXSCCU-CYBMUJFWSA-N -1 1 274.364 2.830 20 0 CFADMM C[C@@H]1CCC[C@H](CNC(=O)c2ccc(Cl)cc2[O-])O1 ZINC000618571028 352813909 /nfs/dbraw/zinc/81/39/09/352813909.db2.gz ZJECAXZAKQKYIW-MWLCHTKSSA-N -1 1 283.755 2.733 20 0 CFADMM C[C@@]1(CCNC(=O)c2c([O-])cccc2F)CC1(F)F ZINC000618635363 352847032 /nfs/dbraw/zinc/84/70/32/352847032.db2.gz XOSUEVSWEWXISX-GFCCVEGCSA-N -1 1 273.254 2.697 20 0 CFADMM Cc1cnc(C(=O)NC2CCC3(CC3(F)F)CC2)c([O-])c1 ZINC000619229247 352984412 /nfs/dbraw/zinc/98/44/12/352984412.db2.gz BSCNCABYTVTXRL-UHFFFAOYSA-N -1 1 296.317 2.793 20 0 CFADMM CC(C)[C@H](NC(=O)c1c(F)ccc([O-])c1F)C1CC1 ZINC000620044281 353104929 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299.798 2.599 20 0 CFADMM C[C@@H]1CSCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000632756568 355738602 /nfs/dbraw/zinc/73/86/02/355738602.db2.gz LDOJLUXOGLMTLC-JTQLQIEISA-N -1 1 299.823 2.800 20 0 CFADMM C[C@H]1CSCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000632756569 355738705 /nfs/dbraw/zinc/73/87/05/355738705.db2.gz LDOJLUXOGLMTLC-SNVBAGLBSA-N -1 1 299.823 2.800 20 0 CFADMM CO[C@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)[C@@H](C)C1 ZINC000632870677 355765213 /nfs/dbraw/zinc/76/52/13/355765213.db2.gz IHBBCIOAEJXPNF-JQWIXIFHSA-N -1 1 297.782 2.614 20 0 CFADMM O=C(Cc1ccc([O-])c(Cl)c1)NC1(C(F)F)CC1 ZINC000632888756 355768933 /nfs/dbraw/zinc/76/89/33/355768933.db2.gz PMAYVAJIEGFDKB-UHFFFAOYSA-N -1 1 275.682 2.502 20 0 CFADMM O=S(=O)([N-][C@]12C[C@H]1CCCC2)c1cc(F)ccc1F ZINC000632656202 355725457 /nfs/dbraw/zinc/72/54/57/355725457.db2.gz QXLPSJXELXGTRE-NOZJJQNGSA-N -1 1 287.331 2.576 20 0 CFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@@H]2C[C@@H]21 ZINC000633013895 355790309 /nfs/dbraw/zinc/79/03/09/355790309.db2.gz 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/nfs/dbraw/zinc/00/24/43/356002443.db2.gz WXXYKQXVHOJUQS-AWEZNQCLSA-N -1 1 286.331 2.912 20 0 CFADMM CCOC(C)(C)C(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000633613282 355947683 /nfs/dbraw/zinc/94/76/83/355947683.db2.gz GKYQTXLARBNPHM-UHFFFAOYSA-N -1 1 293.392 2.622 20 0 CFADMM CCCc1nc(C(=O)[N-]c2nnc(CCC)s2)co1 ZINC000273593276 192222440 /nfs/dbraw/zinc/22/24/40/192222440.db2.gz NEROYKKXQLGECR-UHFFFAOYSA-N -1 1 280.353 2.683 20 0 CFADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cccn1C ZINC000334857706 540253578 /nfs/dbraw/zinc/25/35/78/540253578.db2.gz XXKLJCCOWVFYNF-UHFFFAOYSA-N -1 1 278.377 2.697 20 0 CFADMM CCCc1nc(C)c(CNC(=O)c2cc(F)ccc2[O-])o1 ZINC000294396259 199023950 /nfs/dbraw/zinc/02/39/50/199023950.db2.gz WUABSFHEZHZSNN-UHFFFAOYSA-N -1 1 292.310 2.710 20 0 CFADMM CN(Cc1ccc(O)cc1)C(=O)c1ccc([O-])c(F)c1 ZINC000681053669 540321997 /nfs/dbraw/zinc/32/19/97/540321997.db2.gz AATDNYMOVVJCSP-UHFFFAOYSA-N -1 1 275.279 2.509 20 0 CFADMM CCCc1cc(C(=O)[N-]c2c(C)noc2CC)no1 ZINC000450276703 535395535 /nfs/dbraw/zinc/39/55/35/535395535.db2.gz JOPCRKPZWSTOFH-UHFFFAOYSA-N -1 1 263.297 2.738 20 0 CFADMM C[C@@]1(O)CCC[N@@H+](Cc2cccc([O-])c2Cl)CC1 ZINC000294701494 199141785 /nfs/dbraw/zinc/14/17/85/199141785.db2.gz ODCAPLUYQKYDGS-CQSZACIVSA-N -1 1 269.772 2.783 20 0 CFADMM C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ncccc1[O-] ZINC000153840195 291160750 /nfs/dbraw/zinc/16/07/50/291160750.db2.gz AFKCUFJDAPLHDI-TUAOUCFPSA-N -1 1 260.337 2.580 20 0 CFADMM Cc1cnc(C(=O)N(C)C2CC(OC(C)(C)C)C2)c([O-])c1 ZINC000422018427 237036071 /nfs/dbraw/zinc/03/60/71/237036071.db2.gz UEMLZXDNKGRVEE-UHFFFAOYSA-N -1 1 292.379 2.514 20 0 CFADMM C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C[C@H]1F ZINC000679255809 540563499 /nfs/dbraw/zinc/56/34/99/540563499.db2.gz AJEOXIBNJQVACE-GZMMTYOYSA-N -1 1 271.719 2.866 20 0 CFADMM Cc1nc(C(=O)[N-]c2nc(-c3ccsc3)ns2)co1 ZINC000669950603 540626448 /nfs/dbraw/zinc/62/64/48/540626448.db2.gz ROVMGHVIOVTVSN-UHFFFAOYSA-N -1 1 292.345 2.815 20 0 CFADMM O=S(=O)([N-]CC1CC1)c1cc(Cl)sc1Cl ZINC000298168652 200350748 /nfs/dbraw/zinc/35/07/48/200350748.db2.gz OCWSIHSFASPDQN-UHFFFAOYSA-N -1 1 286.205 2.743 20 0 CFADMM O=C(N[C@@H]1CCC[C@@H](CO)C1)c1cc2ccccc2cc1[O-] ZINC000298205611 200360400 /nfs/dbraw/zinc/36/04/00/200360400.db2.gz GGDPACVCOYWUGX-IUODEOHRSA-N -1 1 299.370 2.826 20 0 CFADMM C[C@@H](NC(=O)c1cncc([O-])c1)[C@H](C)c1ccccc1 ZINC000177429254 189050843 /nfs/dbraw/zinc/05/08/43/189050843.db2.gz UFTVILCAUBVWPB-NWDGAFQWSA-N -1 1 270.332 2.709 20 0 CFADMM Cc1noc(C)c1[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000154893726 540871312 /nfs/dbraw/zinc/87/13/12/540871312.db2.gz FKEVOWJTCRLYOL-ZETCQYMHSA-N -1 1 278.283 2.627 20 0 CFADMM CCNc1cnc(-c2nc3cccc(C)c3c(=O)[n-]2)cn1 ZINC000352207556 540885408 /nfs/dbraw/zinc/88/54/08/540885408.db2.gz ZGLQESGBAFOFOT-UHFFFAOYSA-N -1 1 281.319 2.533 20 0 CFADMM CC(C)Oc1cccc(CC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000299630664 200812288 /nfs/dbraw/zinc/81/22/88/200812288.db2.gz GIUGIQQSMYYHOO-MRXNPFEDSA-N -1 1 293.363 2.591 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N(Cc1ccccn1)C1CC1 ZINC000180335734 189250410 /nfs/dbraw/zinc/25/04/10/189250410.db2.gz ABWVLRLGWFGNPB-UHFFFAOYSA-N -1 1 286.306 2.731 20 0 CFADMM C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000181049667 189287044 /nfs/dbraw/zinc/28/70/44/189287044.db2.gz ALHSGGOWHWZZMC-NOZJJQNGSA-N -1 1 251.301 2.840 20 0 CFADMM NC(=O)c1cc(-c2csc(CC3CC3)n2)ccc1[O-] ZINC000181310462 189293814 /nfs/dbraw/zinc/29/38/14/189293814.db2.gz LBAVCFSURBVNKV-UHFFFAOYSA-N -1 1 274.345 2.567 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CSCCS1 ZINC000182862313 189337256 /nfs/dbraw/zinc/33/72/56/189337256.db2.gz BAXWSVFWSTXVBX-SNVBAGLBSA-N -1 1 289.809 2.833 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CSCCS1 ZINC000182862289 189337277 /nfs/dbraw/zinc/33/72/77/189337277.db2.gz BAXWSVFWSTXVBX-JTQLQIEISA-N -1 1 289.809 2.833 20 0 CFADMM C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182868485 189337984 /nfs/dbraw/zinc/33/79/84/189337984.db2.gz BJOXYLNYELESQG-KOLCDFICSA-N -1 1 299.754 2.568 20 0 CFADMM O=C(NCCC[C@H]1CCCCO1)c1cc(F)ccc1[O-] ZINC000184329355 189382869 /nfs/dbraw/zinc/38/28/69/189382869.db2.gz KHOMQTHKEKUDQJ-GFCCVEGCSA-N -1 1 281.327 2.610 20 0 CFADMM Cc1nsc([N-]c2cnn(-c3ccccc3)c2)n1 ZINC000301937784 201268673 /nfs/dbraw/zinc/26/86/73/201268673.db2.gz WFICKRTZGRYJIH-UHFFFAOYSA-N -1 1 257.322 2.776 20 0 CFADMM CCCCn1ncc([N-]c2nc(C)ns2)c1C ZINC000301981235 201286229 /nfs/dbraw/zinc/28/62/29/201286229.db2.gz QDPFLIMLOWEUIF-UHFFFAOYSA-N -1 1 251.359 2.895 20 0 CFADMM COc1ccc2ncnc(-c3ccc(F)c([O-])c3)c2n1 ZINC001243046763 781949983 /nfs/dbraw/zinc/94/99/83/781949983.db2.gz JFMYVDJNIPFKSP-UHFFFAOYSA-N -1 1 271.251 2.545 20 0 CFADMM Cc1cc(-c2nccn2C)c(-c2ccc(F)c([O-])c2)nn1 ZINC001243048064 781952481 /nfs/dbraw/zinc/95/24/81/781952481.db2.gz DXJCAVLNDGLLPZ-UHFFFAOYSA-N -1 1 284.294 2.697 20 0 CFADMM O=C(N[C@@H](c1ccco1)c1ccccc1)c1ncccc1[O-] ZINC000426995891 239278312 /nfs/dbraw/zinc/27/83/12/239278312.db2.gz VHRJARWMVLHZGN-OAHLLOKOSA-N -1 1 294.310 2.900 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3[nH]2)o1 ZINC000427649072 239325357 /nfs/dbraw/zinc/32/53/57/239325357.db2.gz VCJLRKYALDVOAG-UHFFFAOYSA-N -1 1 291.332 2.574 20 0 CFADMM Cc1cnc(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c([O-])c1 ZINC000427775590 239337925 /nfs/dbraw/zinc/33/79/25/239337925.db2.gz GNXOVQWWGFKWFJ-VNQPRFMTSA-N -1 1 294.354 2.554 20 0 CFADMM COC(=O)c1c[n-]c(SCCO[C@H]2CCCC[C@H]2C)n1 ZINC000432674723 240027859 /nfs/dbraw/zinc/02/78/59/240027859.db2.gz DGLAHCIMELFNCB-PWSUYJOCSA-N -1 1 298.408 2.884 20 0 CFADMM COC(=O)c1c[n-]c(SCc2ccc(C)nc2C)n1 ZINC000432664120 240028774 /nfs/dbraw/zinc/02/87/74/240028774.db2.gz MBVVPUCZZKPUPI-UHFFFAOYSA-N -1 1 277.349 2.500 20 0 CFADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@@H]1C1CC1 ZINC000668186200 541396391 /nfs/dbraw/zinc/39/63/91/541396391.db2.gz DSLHUFMLRMJKCG-CQSZACIVSA-N -1 1 282.343 2.955 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)[C@H]3C[C@@H]3C3CC3)[nH][n-]2)s1 ZINC000434083804 240207351 /nfs/dbraw/zinc/20/73/51/240207351.db2.gz SPMMQKGOSFWWIK-MNOVXSKESA-N -1 1 287.388 2.853 20 0 CFADMM O=c1cc(C2CC2)nc(SCCCCCCO)[n-]1 ZINC000195084616 189671622 /nfs/dbraw/zinc/67/16/22/189671622.db2.gz LLPBGLRJBVERKZ-UHFFFAOYSA-N -1 1 268.382 2.704 20 0 CFADMM Cc1cc([C@H](C)NC(=O)C(=O)c2ccc([O-])cc2)c(C)o1 ZINC000436941124 240523097 /nfs/dbraw/zinc/52/30/97/240523097.db2.gz BYHQVMGUGOKPHS-JTQLQIEISA-N -1 1 287.315 2.662 20 0 CFADMM CC(C)N(Cc1ccccc1F)C(=O)c1ncccc1[O-] ZINC000275360065 193010753 /nfs/dbraw/zinc/01/07/53/193010753.db2.gz UCNJHCJXDPWHNL-UHFFFAOYSA-N -1 1 288.322 2.977 20 0 CFADMM CC(=O)c1ccc([O-])c(NC(=O)c2c(O)cccc2F)c1 ZINC000436885335 240515015 /nfs/dbraw/zinc/51/50/15/240515015.db2.gz CNBPDSVWJNECGD-UHFFFAOYSA-N -1 1 289.262 2.692 20 0 CFADMM O=C(NCCc1ccc2[nH]ccc2c1)c1cc(F)ccc1[O-] ZINC000443002050 241028312 /nfs/dbraw/zinc/02/83/12/241028312.db2.gz RLJZPLBBSYSYCE-UHFFFAOYSA-N -1 1 298.317 2.985 20 0 CFADMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@H](C)C3CC3)[nH][n-]2)c1 ZINC000444813219 241197407 /nfs/dbraw/zinc/19/74/07/241197407.db2.gz OXVQRAMQDTXJSR-SNVBAGLBSA-N -1 1 287.338 2.931 20 0 CFADMM C[C@@H]1C[C@H](CSc2nc(C3CC3)cc(=O)[n-]2)CCO1 ZINC000447415079 241374671 /nfs/dbraw/zinc/37/46/71/241374671.db2.gz YNTGQNBHFHDVFI-NXEZZACHSA-N -1 1 280.393 2.967 20 0 CFADMM CC(C)(C)OC(=O)c1ccnc(-c2ccc(F)c([O-])c2)n1 ZINC001243053879 781959593 /nfs/dbraw/zinc/95/95/93/781959593.db2.gz HQXZEDYLKBNTFD-UHFFFAOYSA-N -1 1 290.294 2.944 20 0 CFADMM Cc1ccc(C2(CNC(=O)c3cncc([O-])c3)CC2)c(C)c1 ZINC000452293357 243119066 /nfs/dbraw/zinc/11/90/66/243119066.db2.gz DVOYVIXQPJYSAP-UHFFFAOYSA-N -1 1 296.370 2.866 20 0 CFADMM COc1cc(C(=O)N[C@@H](C)C(C)(F)F)cc(Cl)c1[O-] ZINC000452875090 243326864 /nfs/dbraw/zinc/32/68/64/243326864.db2.gz SCIWYVYRBTWKLU-LURJTMIESA-N -1 1 293.697 2.828 20 0 CFADMM C[C@@H]([N-]S(=O)(=O)CC12CCC(CC1)C2)C(C)(F)F ZINC000451686233 296136697 /nfs/dbraw/zinc/13/66/97/296136697.db2.gz DWDNYHUFPGZABR-GRZMOONWSA-N -1 1 281.368 2.530 20 0 CFADMM CO[C@H]1C[C@@H](N(C)C(=O)c2ccc([O-])cc2F)C12CCC2 ZINC000456671382 244255964 /nfs/dbraw/zinc/25/59/64/244255964.db2.gz YLTRHZJHUQEGOI-KGLIPLIRSA-N -1 1 293.338 2.561 20 0 CFADMM O=C(COCC1CCCC1)Nc1ccc([O-])c(F)c1F ZINC000456787038 244288472 /nfs/dbraw/zinc/28/84/72/244288472.db2.gz PNWQMJFKVYSKGY-UHFFFAOYSA-N -1 1 285.290 2.816 20 0 CFADMM CCO[C@@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1F ZINC000456947919 244334346 /nfs/dbraw/zinc/33/43/46/244334346.db2.gz MGBNSSAANNWTKA-DGCLKSJQSA-N -1 1 281.327 2.609 20 0 CFADMM CC(C)CO[N-]C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000276586781 193391622 /nfs/dbraw/zinc/39/16/22/193391622.db2.gz VQHRJGKOHIAGMR-CYBMUJFWSA-N -1 1 263.337 2.516 20 0 CFADMM C[C@@H]1C[C@H]1CNC(=O)c1cc(Br)ccc1[O-] ZINC000032746788 372458822 /nfs/dbraw/zinc/45/88/22/372458822.db2.gz XSAPFDQOHUJEPM-SFYZADRCSA-N -1 1 284.153 2.541 20 0 CFADMM O=C([O-])CCCCN1CCc2ccc(Cl)cc2C1 ZINC000263583282 383683534 /nfs/dbraw/zinc/68/35/34/383683534.db2.gz ZSUYWZDFPCXUGO-UHFFFAOYSA-N -1 1 267.756 2.953 20 0 CFADMM COc1ccc2c(c1)CN(Cc1ccc(C(=O)[O-])cc1)CC2 ZINC000263576282 383684155 /nfs/dbraw/zinc/68/41/55/383684155.db2.gz QFBLLCHSOMKOFO-UHFFFAOYSA-N -1 1 297.354 2.952 20 0 CFADMM O=C(Nc1cccc2c1CN(C1CC1)C2)c1ncccc1[O-] ZINC000375278994 284355849 /nfs/dbraw/zinc/35/58/49/284355849.db2.gz JWGFTPJZVJWRIN-UHFFFAOYSA-N -1 1 295.342 2.518 20 0 CFADMM CCO[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000042327466 372909703 /nfs/dbraw/zinc/90/97/03/372909703.db2.gz UNYAUNARYNXROF-LLVKDONJSA-N -1 1 283.755 2.687 20 0 CFADMM CCCCCN(C(=O)c1ncccc1[O-])C(C)C ZINC000042551704 372935225 /nfs/dbraw/zinc/93/52/25/372935225.db2.gz YRPPTNWJKZGCDP-UHFFFAOYSA-N -1 1 250.342 2.828 20 0 CFADMM Cc1oc(-c2cccs2)nc1CN(C)C[C@@H](C)C(=O)[O-] ZINC000042704581 372948432 /nfs/dbraw/zinc/94/84/32/372948432.db2.gz RIGOHAGJVFKLLC-SECBINFHSA-N -1 1 294.376 2.864 20 0 CFADMM COCCN(C(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000048194331 373152003 /nfs/dbraw/zinc/15/20/03/373152003.db2.gz QZWTVWQGGPXSHE-UHFFFAOYSA-N -1 1 285.343 2.796 20 0 CFADMM CCCc1nc(CS(=O)(=O)c2ccc([O-])cc2)cs1 ZINC000049488936 373304479 /nfs/dbraw/zinc/30/44/79/373304479.db2.gz PNCFFTWIQWIFBC-UHFFFAOYSA-N -1 1 297.401 2.775 20 0 CFADMM O=C(NCc1cscn1)c1cc2ccccc2cc1[O-] ZINC000050406299 373377175 /nfs/dbraw/zinc/37/71/75/373377175.db2.gz RSMZOILLAZSSNC-UHFFFAOYSA-N -1 1 284.340 2.932 20 0 CFADMM Cc1ccsc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000050508129 373378807 /nfs/dbraw/zinc/37/88/07/373378807.db2.gz IYOIZUSEYDLEIE-ZDUSSCGKSA-N -1 1 261.346 2.972 20 0 CFADMM O=C(N[C@H]1CCCC[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000051990725 373422446 /nfs/dbraw/zinc/42/24/46/373422446.db2.gz YWPXWYGMQPXEFT-GJZGRUSLSA-N -1 1 285.343 2.579 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](C)Cc1ccccc1C ZINC000529422118 383690872 /nfs/dbraw/zinc/69/08/72/383690872.db2.gz SUCMEKOJELONLO-SNVBAGLBSA-N -1 1 273.336 2.549 20 0 CFADMM CC(C)c1nc(CN2CCC[C@@](C)(C(=O)[O-])C2)cs1 ZINC000062875716 373771018 /nfs/dbraw/zinc/77/10/18/373771018.db2.gz ZRZQKIVHIDVQGL-CQSZACIVSA-N -1 1 282.409 2.953 20 0 CFADMM Cc1nnc([C@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)o1 ZINC000289548525 197398005 /nfs/dbraw/zinc/39/80/05/197398005.db2.gz OQFMPZVWMJESDU-BYPYZUCNSA-N -1 1 288.279 2.665 20 0 CFADMM CCCc1cc(=O)[n-]c(SCOC2CCC2)n1 ZINC000289520096 197387593 /nfs/dbraw/zinc/38/75/93/197387593.db2.gz CZRCNTVCTSQOTF-UHFFFAOYSA-N -1 1 254.355 2.753 20 0 CFADMM CN(CC1CCCC1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000069414836 374060002 /nfs/dbraw/zinc/06/00/02/374060002.db2.gz REMHKZFHGGRWEN-UHFFFAOYSA-N -1 1 285.347 2.598 20 0 CFADMM CSCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000070185027 374142488 /nfs/dbraw/zinc/14/24/88/374142488.db2.gz KUSDVLNVPCBDOB-UHFFFAOYSA-N -1 1 261.346 2.638 20 0 CFADMM CCC(CC)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645424864 383698821 /nfs/dbraw/zinc/69/88/21/383698821.db2.gz UUEZNVQJTOMVPJ-UHFFFAOYSA-N -1 1 296.314 2.567 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC(C(F)F)C1 ZINC000677915365 541923137 /nfs/dbraw/zinc/92/31/37/541923137.db2.gz JDPHEORXDMIAFI-UHFFFAOYSA-N -1 1 277.270 2.883 20 0 CFADMM COCc1cccc(-c2nc3cccnc3c(=O)[n-]2)c1 ZINC000491595851 541928423 /nfs/dbraw/zinc/92/84/23/541928423.db2.gz DZMLPMWZAHSPDH-UHFFFAOYSA-N -1 1 267.288 2.544 20 0 CFADMM C[C@@H](C(=O)Nc1ccc(F)cc1[O-])C1CCOCC1 ZINC000334153481 206108346 /nfs/dbraw/zinc/10/83/46/206108346.db2.gz OOWCRLHBHOXCGM-SECBINFHSA-N -1 1 267.300 2.533 20 0 CFADMM C[C@H](C(=O)Nc1ccc(F)cc1[O-])C1CCOCC1 ZINC000334153482 206108406 /nfs/dbraw/zinc/10/84/06/206108406.db2.gz OOWCRLHBHOXCGM-VIFPVBQESA-N -1 1 267.300 2.533 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1cccc(-c2nc[nH]n2)c1 ZINC000678144037 541961959 /nfs/dbraw/zinc/96/19/59/541961959.db2.gz UNLKKECHJIZVNB-UHFFFAOYSA-N -1 1 298.277 2.569 20 0 CFADMM CC(C)(C)c1nnc(NC(=O)c2cc(F)ccc2[O-])s1 ZINC000081944747 374723664 /nfs/dbraw/zinc/72/36/64/374723664.db2.gz CSWYJTHDDKFOCF-UHFFFAOYSA-N -1 1 295.339 2.933 20 0 CFADMM CO[C@]1(C)C[C@H](N(C)C(=O)c2cc(F)ccc2[O-])C1(C)C ZINC000091990034 375078421 /nfs/dbraw/zinc/07/84/21/375078421.db2.gz NQKYBNLPNIIGAT-XJKSGUPXSA-N -1 1 295.354 2.807 20 0 CFADMM Cc1n[nH]c2cc(NC(=O)c3ccccc3[O-])ccc12 ZINC000091827032 375064641 /nfs/dbraw/zinc/06/46/41/375064641.db2.gz MARBONPDFMOJGB-UHFFFAOYSA-N -1 1 267.288 2.829 20 0 CFADMM CN(Cc1n[nH]c(=O)[n-]1)Cc1ccccc1-c1ccccc1 ZINC000092618416 375131135 /nfs/dbraw/zinc/13/11/35/375131135.db2.gz YBYIBTMULYDAMT-UHFFFAOYSA-N -1 1 294.358 2.809 20 0 CFADMM CC(C)c1ccc(C(=O)Nc2c3c(nn2C)CCC3)c([O-])c1 ZINC000678309546 542003843 /nfs/dbraw/zinc/00/38/43/542003843.db2.gz OLDIATCHEVNONU-UHFFFAOYSA-N -1 1 299.374 2.990 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@H](CC(C)C)C(=O)OC)n1 ZINC000505448478 247138753 /nfs/dbraw/zinc/13/87/53/247138753.db2.gz ALAGDACFBJKOOG-LLVKDONJSA-N -1 1 298.408 2.815 20 0 CFADMM CO[C@@H](C)c1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000111596709 375856818 /nfs/dbraw/zinc/85/68/18/375856818.db2.gz ONLQHSQUVQLVBQ-JTQLQIEISA-N -1 1 272.304 2.747 20 0 CFADMM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cncc([O-])c2)s1 ZINC000111615714 375857815 /nfs/dbraw/zinc/85/78/15/375857815.db2.gz OMQBWYNYFKJLCK-SECBINFHSA-N -1 1 291.376 2.694 20 0 CFADMM CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H](C)O1 ZINC000111644244 375860527 /nfs/dbraw/zinc/86/05/27/375860527.db2.gz PZKUWPOKNRQTSL-GXSJLCMTSA-N -1 1 283.755 2.685 20 0 CFADMM CCCC[C@H](CC)CNC(=O)c1cncc([O-])c1 ZINC000111742324 375867776 /nfs/dbraw/zinc/86/77/76/375867776.db2.gz DDSWPPSPCBHZJK-NSHDSACASA-N -1 1 250.342 2.733 20 0 CFADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cncc([O-])c1 ZINC000111776083 375869039 /nfs/dbraw/zinc/86/90/39/375869039.db2.gz ZPHHOGQLYPNFAT-BYCMXARLSA-N -1 1 276.380 2.978 20 0 CFADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cncc([O-])c1 ZINC000111776078 375869217 /nfs/dbraw/zinc/86/92/17/375869217.db2.gz ZPHHOGQLYPNFAT-KCPJHIHWSA-N -1 1 276.380 2.978 20 0 CFADMM Cc1oc(-c2ccccc2)nc1CN(C)CCC(=O)[O-] ZINC000262606377 190058426 /nfs/dbraw/zinc/05/84/26/190058426.db2.gz AVBXUDSBSSPHEM-UHFFFAOYSA-N -1 1 274.320 2.557 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@]12CCOC2 ZINC000320003875 296240666 /nfs/dbraw/zinc/24/06/66/296240666.db2.gz SSNMKMOOAOVHAM-GOSISDBHSA-N -1 1 297.354 2.941 20 0 CFADMM O=C(N[C@H]1CCCc2occc21)c1c([O-])cccc1F ZINC000119348390 376399034 /nfs/dbraw/zinc/39/90/34/376399034.db2.gz HKAJTPXHHYRDEY-NSHDSACASA-N -1 1 275.279 2.932 20 0 CFADMM COc1ccc(CC[C@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC000263703641 190074245 /nfs/dbraw/zinc/07/42/45/190074245.db2.gz SWBBFHMCXUNVDG-VIFPVBQESA-N -1 1 275.270 2.695 20 0 CFADMM Cc1c2cc(F)ccc2oc1C(=O)[N-]N1CCCCC1=O ZINC000263826879 190080720 /nfs/dbraw/zinc/08/07/20/190080720.db2.gz PXLZEOUGKJNKJK-UHFFFAOYSA-N -1 1 290.294 2.538 20 0 CFADMM Cc1cnc([C@@H](C)CNC(=O)c2ccc([O-])cc2F)s1 ZINC000120357827 376599151 /nfs/dbraw/zinc/59/91/51/376599151.db2.gz VQAAGGCEJIESIE-QMMMGPOBSA-N -1 1 294.351 2.830 20 0 CFADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccn(C(F)F)n1 ZINC000678864232 542086095 /nfs/dbraw/zinc/08/60/95/542086095.db2.gz PTXJDLHADFKJOB-UHFFFAOYSA-N -1 1 287.653 2.890 20 0 CFADMM CCCS(=O)(=O)[N-]c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000679001565 542107379 /nfs/dbraw/zinc/10/73/79/542107379.db2.gz WBHXAEGIJGAVQB-UHFFFAOYSA-N -1 1 299.783 2.882 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cn1 ZINC000121330797 376809490 /nfs/dbraw/zinc/80/94/90/376809490.db2.gz GZMKDFFUERGITE-UHFFFAOYSA-N -1 1 280.324 2.638 20 0 CFADMM Cc1cc(Br)c([O-])c(NC(=O)c2cocn2)c1 ZINC000679242889 542144211 /nfs/dbraw/zinc/14/42/11/542144211.db2.gz BFYIVSABLYURCH-UHFFFAOYSA-N -1 1 297.108 2.703 20 0 CFADMM C[C@H](CC(=O)[O-])N(C)Cc1ncc(-c2cccs2)o1 ZINC000571702402 383719561 /nfs/dbraw/zinc/71/95/61/383719561.db2.gz IKPUHDSEJSPCFF-SECBINFHSA-N -1 1 280.349 2.698 20 0 CFADMM CC(C)C[C@H](NC(=O)c1cnn[nH]1)c1ccc(Cl)cc1 ZINC000126925767 377253215 /nfs/dbraw/zinc/25/32/15/377253215.db2.gz JTXLZZQOEPJISS-LBPRGKRZSA-N -1 1 292.770 2.975 20 0 CFADMM CC(=O)NCCCCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129610558 377452440 /nfs/dbraw/zinc/45/24/40/377452440.db2.gz WGXJXIJZNRJQQP-UHFFFAOYSA-N -1 1 298.770 2.681 20 0 CFADMM Cc1cnc([C@@H](C)CNC(=O)c2c([O-])cccc2F)s1 ZINC000131925314 377779323 /nfs/dbraw/zinc/77/93/23/377779323.db2.gz QKUWJXKJVNXXPM-QMMMGPOBSA-N -1 1 294.351 2.830 20 0 CFADMM CCC[C@H](C)[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000132285012 377823044 /nfs/dbraw/zinc/82/30/44/377823044.db2.gz XXGCCMJKJAETMO-NWDGAFQWSA-N -1 1 262.353 2.828 20 0 CFADMM CCC(CC)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000134377263 378007055 /nfs/dbraw/zinc/00/70/55/378007055.db2.gz UGMGZTLWIOXIMY-UHFFFAOYSA-N -1 1 295.326 2.818 20 0 CFADMM CC(C)=CCSc1ccccc1C(=O)Nc1nnn[n-]1 ZINC000133831232 377962422 /nfs/dbraw/zinc/96/24/22/377962422.db2.gz AUSYFFYTYLYXDP-UHFFFAOYSA-N -1 1 289.364 2.510 20 0 CFADMM CC(C)=CCSc1ccccc1C(=O)Nc1nn[n-]n1 ZINC000133831232 377962427 /nfs/dbraw/zinc/96/24/27/377962427.db2.gz AUSYFFYTYLYXDP-UHFFFAOYSA-N -1 1 289.364 2.510 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H]2CCCC[C@@H]21 ZINC000134278544 377997811 /nfs/dbraw/zinc/99/78/11/377997811.db2.gz TWWBEJXGLASOOW-GWCFXTLKSA-N -1 1 263.312 2.936 20 0 CFADMM C[C@H]1OCCN(C(=O)c2cc3ccccc3cc2[O-])[C@H]1C ZINC000151066047 378291311 /nfs/dbraw/zinc/29/13/11/378291311.db2.gz FTHFTWCEBLMBLM-NWDGAFQWSA-N -1 1 285.343 2.795 20 0 CFADMM CC1(C)C[C@@H](NC(=O)c2ccc(Cl)cc2[O-])CCO1 ZINC000148576941 378257703 /nfs/dbraw/zinc/25/77/03/378257703.db2.gz QRIGBVKAWMUPIU-JTQLQIEISA-N -1 1 283.755 2.733 20 0 CFADMM CC(C)Cn1cc(C(=O)Nc2c([O-])cccc2F)cn1 ZINC000679812726 542238158 /nfs/dbraw/zinc/23/81/58/542238158.db2.gz PDYWEPFYIPMSKK-UHFFFAOYSA-N -1 1 277.299 2.636 20 0 CFADMM C[C@H]1CCC[C@@H](CC(=O)Nc2n[n-]c(C(F)(F)F)n2)C1 ZINC000153942768 378523780 /nfs/dbraw/zinc/52/37/80/378523780.db2.gz GSYMNIYHRBAHKZ-JGVFFNPUSA-N -1 1 290.289 2.978 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)c([O-])c1 ZINC000330295199 378532996 /nfs/dbraw/zinc/53/29/96/378532996.db2.gz FNVJFSSTMIQCJQ-GFCCVEGCSA-N -1 1 274.364 2.748 20 0 CFADMM Cc1ncsc1CCSc1nc(C)c(C)c(=O)[n-]1 ZINC000330573358 378586462 /nfs/dbraw/zinc/58/64/62/378586462.db2.gz KVHOTWAMXARIDT-UHFFFAOYSA-N -1 1 281.406 2.899 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N3C[C@H]4CCC[C@@H]4C3)cnc2n1 ZINC000155176222 378615675 /nfs/dbraw/zinc/61/56/75/378615675.db2.gz MIWYZSJZJKKQEJ-VXGBXAGGSA-N -1 1 297.358 2.516 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1C[C@H]3CCC[C@@H]3C1)c2=O ZINC000155176222 378615678 /nfs/dbraw/zinc/61/56/78/378615678.db2.gz MIWYZSJZJKKQEJ-VXGBXAGGSA-N -1 1 297.358 2.516 20 0 CFADMM CS[C@@H](C)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000159530501 378715642 /nfs/dbraw/zinc/71/56/42/378715642.db2.gz QJOBPXCIHCXYAM-ZETCQYMHSA-N -1 1 259.758 2.527 20 0 CFADMM CCOC1CC(Sc2nc(C(F)(F)F)cc(=O)[n-]2)C1 ZINC000332048264 378722502 /nfs/dbraw/zinc/72/25/02/378722502.db2.gz ZJDAYPXUQRUYBD-UHFFFAOYSA-N -1 1 294.298 2.861 20 0 CFADMM NC(=O)[C@@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000334197604 378912895 /nfs/dbraw/zinc/91/28/95/378912895.db2.gz LXQUOSKOQAKYSZ-VIFPVBQESA-N -1 1 254.717 2.545 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCCc2occc2C1 ZINC000334252160 378984609 /nfs/dbraw/zinc/98/46/09/378984609.db2.gz IZDSMYGYKGTLSN-UHFFFAOYSA-N -1 1 275.279 2.713 20 0 CFADMM CSc1ccc(N(C)C(=O)c2cncc([O-])c2)cc1 ZINC000334251926 378984771 /nfs/dbraw/zinc/98/47/71/378984771.db2.gz ITKJJOKKHPBCIW-UHFFFAOYSA-N -1 1 274.345 2.786 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@H](C)c2noc(C)n2)n1 ZINC000278605550 194066040 /nfs/dbraw/zinc/06/60/40/194066040.db2.gz RFNMVLBEWJXYOC-SSDOTTSWSA-N -1 1 280.353 2.679 20 0 CFADMM CC(C)c1cc(C(=O)Nc2ccc(F)cc2[O-])n[nH]1 ZINC000334278072 379022741 /nfs/dbraw/zinc/02/27/41/379022741.db2.gz TZYWLGSUJPGNRT-UHFFFAOYSA-N -1 1 263.272 2.630 20 0 CFADMM C[C@@H]([N-]S(=O)(=O)c1cccc2ccoc21)C(F)(F)F ZINC000335276400 379010718 /nfs/dbraw/zinc/01/07/18/379010718.db2.gz LUJPBBSWRVVTDC-SSDOTTSWSA-N -1 1 293.266 2.662 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cc(Cl)c[nH]1 ZINC000334280382 379026504 /nfs/dbraw/zinc/02/65/04/379026504.db2.gz RGLQYYRJGTUEDY-UHFFFAOYSA-N -1 1 254.648 2.765 20 0 CFADMM O=C([O-])[C@H]1CCCCN1Cc1cccc(Cl)c1F ZINC000167034434 379066831 /nfs/dbraw/zinc/06/68/31/379066831.db2.gz VQDKLSUHPCKZGW-LLVKDONJSA-N -1 1 271.719 2.918 20 0 CFADMM O=C([O-])[C@H]1CCCN1Cc1cccc(Cl)c1F ZINC000167034215 379067198 /nfs/dbraw/zinc/06/71/98/379067198.db2.gz DZRPSHOOMKTUEL-SNVBAGLBSA-N -1 1 257.692 2.528 20 0 CFADMM CC(C)(C)c1nsc([N-]C(=O)c2cnc(Cl)cn2)n1 ZINC000278708947 194115737 /nfs/dbraw/zinc/11/57/37/194115737.db2.gz NQVICMVCQSYNLY-UHFFFAOYSA-N -1 1 297.771 2.531 20 0 CFADMM COc1ccccc1N(C)C(=O)c1ccccc1[O-] ZINC000048442250 412905146 /nfs/dbraw/zinc/90/51/46/412905146.db2.gz YUNUWPVMGPKVJL-UHFFFAOYSA-N -1 1 257.289 2.677 20 0 CFADMM Cc1ccncc1CN(C)C(=O)c1cc(F)ccc1[O-] ZINC000335371915 379179640 /nfs/dbraw/zinc/17/96/40/379179640.db2.gz MKGIKRJBFAXERI-UHFFFAOYSA-N -1 1 274.295 2.507 20 0 CFADMM C[C@H]1[C@H](CO)CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000335378868 379190713 /nfs/dbraw/zinc/19/07/13/379190713.db2.gz PJSDTUCEXFDOKV-WFASDCNBSA-N -1 1 299.370 2.778 20 0 CFADMM COc1cc(C(=O)N2CC[C@H](C)C2)cc(Cl)c1[O-] ZINC000334387256 379208568 /nfs/dbraw/zinc/20/85/68/379208568.db2.gz OUBHMXKCGMAZGI-QMMMGPOBSA-N -1 1 269.728 2.536 20 0 CFADMM C[C@@H](N=c1[n-]c(C(N)=O)cs1)[C@@H](C)C1CCCCC1 ZINC000432309307 383735461 /nfs/dbraw/zinc/73/54/61/383735461.db2.gz AQZBESFBGZTJJP-NXEZZACHSA-N -1 1 281.425 2.681 20 0 CFADMM O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ncccc1[O-] ZINC000171242337 379261135 /nfs/dbraw/zinc/26/11/35/379261135.db2.gz VYMYGYBAPBEGQD-RKDXNWHRSA-N -1 1 288.269 2.638 20 0 CFADMM C[C@H]1CCN(Cc2cc(F)c(F)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000335444038 379306719 /nfs/dbraw/zinc/30/67/19/379306719.db2.gz QBIYZFUAMORSMJ-WPRPVWTQSA-N -1 1 287.281 2.647 20 0 CFADMM C[C@@H](O)CC(C)(C)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000266584352 190268726 /nfs/dbraw/zinc/26/87/26/190268726.db2.gz RUKGEIYNMUWZGI-SECBINFHSA-N -1 1 285.771 2.573 20 0 CFADMM O=C(N[C@@H]1CCCC[C@H]1F)c1c(F)ccc([O-])c1F ZINC000335480210 379374114 /nfs/dbraw/zinc/37/41/14/379374114.db2.gz LSUBLECTARRKRQ-VXNVDRBHSA-N -1 1 273.254 2.681 20 0 CFADMM O=S(=O)([N-]C1(CF)CCC1)c1ccc(Cl)s1 ZINC000335487628 379386733 /nfs/dbraw/zinc/38/67/33/379386733.db2.gz UKMMCBKFLUIVND-UHFFFAOYSA-N -1 1 283.777 2.572 20 0 CFADMM O=C(N[C@@H]1CCC[C@H](F)C1)c1ccc([O-])cc1F ZINC000335518547 379439205 /nfs/dbraw/zinc/43/92/05/379439205.db2.gz FEEYMBZYDXQCAN-DTWKUNHWSA-N -1 1 255.264 2.542 20 0 CFADMM COc1cc(C(=O)N(C)C(C)(C)C)cc(Cl)c1[O-] ZINC000335522016 379444813 /nfs/dbraw/zinc/44/48/13/379444813.db2.gz PWJLTXYLMOHKHB-UHFFFAOYSA-N -1 1 271.744 2.925 20 0 CFADMM CC[C@H](Cc1ccccc1)NC(=O)c1cncc([O-])c1 ZINC000171869867 379425035 /nfs/dbraw/zinc/42/50/35/379425035.db2.gz RDAJYHXRAUNVOB-CQSZACIVSA-N -1 1 270.332 2.538 20 0 CFADMM C[C@@H]1CC[C@@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000335552912 379498846 /nfs/dbraw/zinc/49/88/46/379498846.db2.gz YXKNLCNUDBGMMR-XCBNKYQSSA-N -1 1 284.153 2.683 20 0 CFADMM CO[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H]1C ZINC000334534394 379472166 /nfs/dbraw/zinc/47/21/66/379472166.db2.gz PAPCQXGIPXJCBO-ZANVPECISA-N -1 1 283.755 2.543 20 0 CFADMM CO[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H]1C ZINC000334534393 379472663 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379736715 /nfs/dbraw/zinc/73/67/15/379736715.db2.gz RGWQYOHZEZZLKO-NSHDSACASA-N -1 1 281.739 2.679 20 0 CFADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000335767767 379855451 /nfs/dbraw/zinc/85/54/51/379855451.db2.gz OJGBQTIDQJRUJA-XCBNKYQSSA-N -1 1 291.244 2.944 20 0 CFADMM O=C(c1ncccc1[O-])N1CC[C@@H](c2ccccc2F)C1 ZINC000335771901 379862631 /nfs/dbraw/zinc/86/26/31/379862631.db2.gz DULFRJPZWIIODW-LLVKDONJSA-N -1 1 286.306 2.556 20 0 CFADMM Cc1cnc(C(=O)N2CC=C(c3ccccc3C)C2)c([O-])c1 ZINC000334768604 379914733 /nfs/dbraw/zinc/91/47/33/379914733.db2.gz VDXHZLMBLOFUPQ-UHFFFAOYSA-N -1 1 294.354 2.943 20 0 CFADMM Cc1ccc2c(c1)CN(C(=O)c1ncc(C)cc1[O-])C2 ZINC000335807091 379920964 /nfs/dbraw/zinc/92/09/64/379920964.db2.gz ZCMGAPAORGPHRR-UHFFFAOYSA-N -1 1 268.316 2.560 20 0 CFADMM Cc1cnc(CNC(=O)c2cc(Cl)ccc2[O-])s1 ZINC000174386422 379874803 /nfs/dbraw/zinc/87/48/03/379874803.db2.gz IMQXQCBYKKVYIG-UHFFFAOYSA-N -1 1 282.752 2.741 20 0 CFADMM 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C[C@@H]1CCc2[n-]n(CC(F)(F)C(F)(F)F)c(=O)c2C1 ZINC000634605003 383266960 /nfs/dbraw/zinc/26/69/60/383266960.db2.gz YHYOPEMQGBVEJR-RNFRBKRXSA-N -1 1 284.228 2.818 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3cccc(C(F)(F)F)n3)c(=O)c21 ZINC000634611714 383272615 /nfs/dbraw/zinc/27/26/15/383272615.db2.gz BRHOULQBBBNGOC-HQJQHLMTSA-N -1 1 283.253 2.849 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@@H](C2CCC2)CC1 ZINC000634523320 383220417 /nfs/dbraw/zinc/22/04/17/383220417.db2.gz CIGXXZKSLIVQDB-CYBMUJFWSA-N -1 1 274.364 2.830 20 0 CFADMM CCCc1c(C)[nH]n(-c2ccc(C(=O)[O-])cc2F)c1=O ZINC000634619066 383279282 /nfs/dbraw/zinc/27/92/82/383279282.db2.gz NRDBDDLMPXNROL-SNVBAGLBSA-N -1 1 278.283 2.663 20 0 CFADMM COc1ccc(-c2[n-]n(CC(C)C)c(=O)c2C)cc1 ZINC000634583586 383246358 /nfs/dbraw/zinc/24/63/58/383246358.db2.gz BDECEJRTWYBMRO-NSHDSACASA-N -1 1 260.337 2.534 20 0 CFADMM O=C(Nc1nnc(-c2ccccc2)s1)c1cncc([O-])c1 ZINC000339818574 383328253 /nfs/dbraw/zinc/32/82/53/383328253.db2.gz DBMZDBNUVFXELA-UHFFFAOYSA-N -1 1 298.327 2.558 20 0 CFADMM O=C(Nc1ccc2scnc2c1)c1cncc([O-])c1 ZINC000339821264 383330216 /nfs/dbraw/zinc/33/02/16/383330216.db2.gz UHRYCWBHVCRTFZ-UHFFFAOYSA-N -1 1 271.301 2.649 20 0 CFADMM CC(C)[C@@H]1CCc2[n-]n([C@H]3CCSC3)c(=O)c2C1 ZINC000634627574 383285955 /nfs/dbraw/zinc/28/59/55/383285955.db2.gz GDJIODGAJMDRTH-WOPDTQHZSA-N -1 1 266.410 2.762 20 0 CFADMM CCc1c(=O)n(-c2nccn2C)[n-]c1-c1cccc(C)c1 ZINC000634629795 383288344 /nfs/dbraw/zinc/28/83/44/383288344.db2.gz DCQBOBOLKPEEGR-ZDUSSCGKSA-N -1 1 282.347 2.506 20 0 CFADMM O=c1c2c([n-]n1[C@@H]1CCc3c1cccc3F)CCC2 ZINC000634632607 383290584 /nfs/dbraw/zinc/29/05/84/383290584.db2.gz VHZBDNYZBSQZPY-SMDDNHRTSA-N -1 1 258.296 2.811 20 0 CFADMM O=c1cc(-c2ccc[nH]2)[n-]n1[C@H]1CCc2c1cccc2F ZINC000634632550 383290647 /nfs/dbraw/zinc/29/06/47/383290647.db2.gz UUDXRWNOBMLZFH-HNNXBMFYSA-N -1 1 283.306 2.778 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3cc(F)cc(F)c3F)c(=O)c21 ZINC000634632930 383292332 /nfs/dbraw/zinc/29/23/32/383292332.db2.gz DZWNSMNFUWSICM-KGFZYKRKSA-N -1 1 268.238 2.853 20 0 CFADMM O=c1c2c([n-]n1CCCOCc1ccccc1)CCCC2 ZINC000634634525 383293231 /nfs/dbraw/zinc/29/32/31/383293231.db2.gz AOKBFUDRENVGMO-HNNXBMFYSA-N -1 1 286.375 2.982 20 0 CFADMM CC1(C)CCC(n2[n-]c(-c3ccc[nH]3)cc2=O)CC1 ZINC000634635477 383293362 /nfs/dbraw/zinc/29/33/62/383293362.db2.gz FWAPQIXQGRHGNJ-UHFFFAOYSA-N -1 1 259.353 2.920 20 0 CFADMM C[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)C[C@@H]1C(=O)[O-] ZINC000567856325 383322560 /nfs/dbraw/zinc/32/25/60/383322560.db2.gz HSQMYRGWBGAZPV-QWRGUYRKSA-N -1 1 290.388 2.839 20 0 CFADMM CC(C)[C@@H]1CN([C@H](C(=O)[O-])c2ccsc2)CCCO1 ZINC000568290339 383389380 /nfs/dbraw/zinc/38/93/80/383389380.db2.gz GVJSUNLRESAUCP-STQMWFEESA-N -1 1 283.393 2.621 20 0 CFADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(CF)CCC1 ZINC000568397579 383398201 /nfs/dbraw/zinc/39/82/01/383398201.db2.gz UGPUNTUWDOCKSI-UHFFFAOYSA-N -1 1 289.310 2.861 20 0 CFADMM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)CCCO1 ZINC000568404528 383399896 /nfs/dbraw/zinc/39/98/96/383399896.db2.gz XQMAVHQALZAUQU-JTQLQIEISA-N -1 1 283.755 2.649 20 0 CFADMM Cc1ccnc([C@H]2CC[N@H+]([C@@H](C)c3nc(C)cc(=O)[nH]3)C2)c1 ZINC000568410101 383400458 /nfs/dbraw/zinc/40/04/58/383400458.db2.gz BGGUKXIHJZHJFF-KBPBESRZSA-N -1 1 298.390 2.745 20 0 CFADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1csc(-c2ccoc2)n1 ZINC000568074727 383355367 /nfs/dbraw/zinc/35/53/67/383355367.db2.gz OHRGRLLVDQUMBY-JOYOIKCWSA-N -1 1 292.360 2.698 20 0 CFADMM CO[C@H](CSc1ncc(C)c(=O)[n-]1)Cc1ccccc1 ZINC000568783299 383437361 /nfs/dbraw/zinc/43/73/61/383437361.db2.gz SMRQYFNNRRXXOR-ZDUSSCGKSA-N -1 1 290.388 2.840 20 0 CFADMM CCc1nc(SCCOC2CCC2)[n-]c(=O)c1C ZINC000569260409 383483517 /nfs/dbraw/zinc/48/35/17/383483517.db2.gz QRRRPMVQCAMARI-UHFFFAOYSA-N -1 1 268.382 2.714 20 0 CFADMM CCc1noc(C)c1[N-]C(=O)c1noc2c1C[C@H](C)CC2 ZINC000569549053 383509688 /nfs/dbraw/zinc/50/96/88/383509688.db2.gz JOBACVCWGVEKCN-MRVPVSSYSA-N -1 1 289.335 2.911 20 0 CFADMM Cc1cnc([C@@H](C)Sc2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000488284802 383512097 /nfs/dbraw/zinc/51/20/97/383512097.db2.gz ZHLKESFCMOJWSE-SNVBAGLBSA-N -1 1 276.365 2.751 20 0 CFADMM Cc1nc(SCc2n[nH]c(=O)[n-]2)[nH]c1-c1ccccc1 ZINC000488299722 383514451 /nfs/dbraw/zinc/51/44/51/383514451.db2.gz SMTIZYMDWGDIQZ-UHFFFAOYSA-N -1 1 287.348 2.501 20 0 CFADMM C[C@H]1Cc2ccccc2CN1Cc1cc(C(=O)[O-])co1 ZINC000569732289 383532364 /nfs/dbraw/zinc/53/23/64/383532364.db2.gz CBRUEXCWICWDRK-NSHDSACASA-N -1 1 271.316 2.925 20 0 CFADMM COCc1nc(=NC[C@H]2CCCCC(F)(F)C2)s[n-]1 ZINC000488430950 383536049 /nfs/dbraw/zinc/53/60/49/383536049.db2.gz NRXIYMCNQXBNFT-VIFPVBQESA-N -1 1 291.367 2.734 20 0 CFADMM Cc1nc(CCN(C)Cc2cc(C(=O)[O-])c(C)o2)cs1 ZINC000570220634 383584586 /nfs/dbraw/zinc/58/45/86/383584586.db2.gz WVSIINIABODESB-UHFFFAOYSA-N -1 1 294.376 2.726 20 0 CFADMM O=S(=O)([N-][C@H]1C[C@@H]1C1CC1)c1cc(Cl)ccc1F ZINC000341079803 383557072 /nfs/dbraw/zinc/55/70/72/383557072.db2.gz HJVLADSCQDJYBD-KOLCDFICSA-N -1 1 289.759 2.556 20 0 CFADMM CC(C)(C)N=c1[n-]nc(CCc2ccco2)n1C1CC1 ZINC000570936662 383649919 /nfs/dbraw/zinc/64/99/19/383649919.db2.gz PFLYNFBAUWYPOL-UHFFFAOYSA-N -1 1 274.368 2.624 20 0 CFADMM CCC1(NC(=O)N=c2[n-]sc3ccccc32)CC1 ZINC000640338747 383765505 /nfs/dbraw/zinc/76/55/05/383765505.db2.gz GTIPUSBEUYTFDS-UHFFFAOYSA-N -1 1 261.350 2.782 20 0 CFADMM CCOC(C)(C)CNC(=O)N=c1[n-]sc2ccccc21 ZINC000640339706 383765512 /nfs/dbraw/zinc/76/55/12/383765512.db2.gz VZNASONWFYJHRG-UHFFFAOYSA-N -1 1 293.392 2.655 20 0 CFADMM CC(C)(F)CCNC(=O)N=c1[n-]sc2ccccc21 ZINC000640337833 383765568 /nfs/dbraw/zinc/76/55/68/383765568.db2.gz LMWSKICEEZDSQG-UHFFFAOYSA-N -1 1 281.356 2.978 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)N1CCC[C@H]2C[C@H]21 ZINC000640338403 383765582 /nfs/dbraw/zinc/76/55/82/383765582.db2.gz WIBXQKWFACFMDF-GXSJLCMTSA-N -1 1 273.361 2.734 20 0 CFADMM CO[C@H](CNC(=O)N=c1[n-]sc2ccccc21)C(C)C ZINC000640340797 383766689 /nfs/dbraw/zinc/76/66/89/383766689.db2.gz ONPMXMMZVKJUNB-LLVKDONJSA-N -1 1 293.392 2.511 20 0 CFADMM C[C@H]1CN(C(=O)N=c2[n-]sc3ccccc32)C[C@H]1C ZINC000640340593 383766834 /nfs/dbraw/zinc/76/68/34/383766834.db2.gz KXZAHWYRYHMASK-AOOOYVTPSA-N -1 1 275.377 2.838 20 0 CFADMM C[C@@H]1CCCN1C(=O)N=c1[n-]sc2ccccc21 ZINC000640341509 383766846 /nfs/dbraw/zinc/76/68/46/383766846.db2.gz UTMMRDFKGDWNNI-SECBINFHSA-N -1 1 261.350 2.734 20 0 CFADMM CN(CCC1CC1)C(=O)N=c1[n-]sc2ccccc21 ZINC000640341692 383766957 /nfs/dbraw/zinc/76/69/57/383766957.db2.gz JAWGBTCXKBKJTE-UHFFFAOYSA-N -1 1 275.377 2.982 20 0 CFADMM COC[C@H](NC(=O)N=c1[n-]sc2ccccc21)C(C)C ZINC000640341886 383766977 /nfs/dbraw/zinc/76/69/77/383766977.db2.gz ZTPJJZKHVQVLMX-NSHDSACASA-N -1 1 293.392 2.511 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)N[C@@H]1CCCSC1 ZINC000640340197 383767275 /nfs/dbraw/zinc/76/72/75/383767275.db2.gz OXCWPUQKCXQITA-SECBINFHSA-N -1 1 293.417 2.735 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)NCCCCF ZINC000640340211 383767297 /nfs/dbraw/zinc/76/72/97/383767297.db2.gz PFFJNDSTPKGPEO-UHFFFAOYSA-N -1 1 267.329 2.589 20 0 CFADMM Cc1ccccc1[C@H]1CCN(C(=O)c2cncc([O-])c2)C1 ZINC000264705589 383774260 /nfs/dbraw/zinc/77/42/60/383774260.db2.gz CNGGXQFWWTYULG-ZDUSSCGKSA-N -1 1 282.343 2.725 20 0 CFADMM Cc1noc(C)c1CCN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000571096369 383665202 /nfs/dbraw/zinc/66/52/02/383665202.db2.gz AESOEPDUNLERAB-UHFFFAOYSA-N -1 1 292.335 2.566 20 0 CFADMM Cc1ccnc([C@@H](C)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000263443422 383667071 /nfs/dbraw/zinc/66/70/71/383667071.db2.gz XDCZYGAKJHUSPL-GFCCVEGCSA-N -1 1 270.332 2.939 20 0 CFADMM CC[C@H]([N-]S(=O)(=O)CC1CCCCC1)C(F)F ZINC000451628101 383671463 /nfs/dbraw/zinc/67/14/63/383671463.db2.gz ZTUVFPYHKJVNBY-JTQLQIEISA-N -1 1 269.357 2.530 20 0 CFADMM C[C@@]1(Br)C[C@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000528903336 383672953 /nfs/dbraw/zinc/67/29/53/383672953.db2.gz OWHVRAREOIUSJR-WRWORJQWSA-N -1 1 288.116 2.643 20 0 CFADMM CCC[C@H](OCC)C(=O)Nc1ccc(F)cc1[O-] ZINC000528905579 383674066 /nfs/dbraw/zinc/67/40/66/383674066.db2.gz XFTUDSQSECJQMO-LBPRGKRZSA-N -1 1 255.289 2.675 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC(C)(C)C2)c1 ZINC000436512059 383827703 /nfs/dbraw/zinc/82/77/03/383827703.db2.gz XMQMETNZBUVZMW-LLVKDONJSA-N -1 1 291.347 2.944 20 0 CFADMM Cc1ncc(NC(=O)c2cc(F)ccc2[O-])s1 ZINC000436515395 383827738 /nfs/dbraw/zinc/82/77/38/383827738.db2.gz QSYIEWXZMQIQNX-UHFFFAOYSA-N -1 1 252.270 2.549 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(C)cc2)c1 ZINC000436503246 383824879 /nfs/dbraw/zinc/82/48/79/383824879.db2.gz GFUMIKJCKKINQA-UHFFFAOYSA-N -1 1 299.326 2.668 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCC(C)(C)C2)c1 ZINC000436512060 383826888 /nfs/dbraw/zinc/82/68/88/383826888.db2.gz XMQMETNZBUVZMW-NSHDSACASA-N -1 1 291.347 2.944 20 0 CFADMM CC(C)Cn1nccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436565310 383836798 /nfs/dbraw/zinc/83/67/98/383836798.db2.gz IRUAHXHKIQSKND-UHFFFAOYSA-N -1 1 277.299 2.636 20 0 CFADMM CCCCc1nnc(NC(=O)c2cc(F)ccc2[O-])s1 ZINC000436557057 383837860 /nfs/dbraw/zinc/83/78/60/383837860.db2.gz VAHLDXRKIYANPD-UHFFFAOYSA-N -1 1 295.339 2.978 20 0 CFADMM CC(C)C(CNC(=O)C(=O)c1ccc([O-])cc1)C(C)C ZINC000436574483 383842040 /nfs/dbraw/zinc/84/20/40/383842040.db2.gz FYMUZDALZNPVPB-UHFFFAOYSA-N -1 1 277.364 2.619 20 0 CFADMM O=C(NCc1nc2ccccc2o1)c1cc(F)ccc1[O-] ZINC000436582969 383843801 /nfs/dbraw/zinc/84/38/01/383843801.db2.gz MSYPYAANERSZBV-UHFFFAOYSA-N -1 1 286.262 2.603 20 0 CFADMM CC[C@H](C)[C@](C)(O)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000436588885 383847802 /nfs/dbraw/zinc/84/78/02/383847802.db2.gz JAAHPYKVWCLKLD-LKFCYVNXSA-N -1 1 285.771 2.573 20 0 CFADMM O=C(NCCc1ccon1)c1cc2ccccc2cc1[O-] ZINC000436599475 383852112 /nfs/dbraw/zinc/85/21/12/383852112.db2.gz BFYSHBIYRZEXAW-UHFFFAOYSA-N -1 1 282.299 2.506 20 0 CFADMM COc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)nc1 ZINC000436629159 383857486 /nfs/dbraw/zinc/85/74/86/383857486.db2.gz UBHWZDINAYUSLP-UHFFFAOYSA-N -1 1 278.695 2.702 20 0 CFADMM CCc1nc(C)c(NC(=O)c2ccc(O)cc2[O-])s1 ZINC000436639560 383859436 /nfs/dbraw/zinc/85/94/36/383859436.db2.gz DEGAGEXYYXCBNR-UHFFFAOYSA-N -1 1 278.333 2.677 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276.723 2.828 20 0 CFADMM COCc1nc(=NCC[C@H]2CCCC[C@H]2C)s[n-]1 ZINC000426883341 533271504 /nfs/dbraw/zinc/27/15/04/533271504.db2.gz NRSUPIJSUNXGSY-GHMZBOCLSA-N -1 1 269.414 2.735 20 0 CFADMM COCc1nc(=NCC[C@H]2CCCC[C@@H]2C)s[n-]1 ZINC000426883344 533271958 /nfs/dbraw/zinc/27/19/58/533271958.db2.gz NRSUPIJSUNXGSY-WDEREUQCSA-N -1 1 269.414 2.735 20 0 CFADMM COc1ccc(C)cc1CNCc1ccccc1CC(=O)[O-] ZINC000426711712 533387714 /nfs/dbraw/zinc/38/77/14/533387714.db2.gz QVELQKHDJYGVHE-UHFFFAOYSA-N -1 1 299.370 2.921 20 0 CFADMM Cc1noc(C)c1[N-]C(=O)c1coc(C2CCC2)n1 ZINC000683441954 542679239 /nfs/dbraw/zinc/67/92/39/542679239.db2.gz BMBQRLMTCSNWOQ-UHFFFAOYSA-N -1 1 261.281 2.799 20 0 CFADMM CCc1cc(=O)[n-]c(SCc2cc(C)ccn2)n1 ZINC000683454600 542681970 /nfs/dbraw/zinc/68/19/70/542681970.db2.gz QKWWWPCRYQMXSY-UHFFFAOYSA-N -1 1 261.350 2.740 20 0 CFADMM CCc1c(-c2nc(-c3ccc([O-])cc3F)no2)cnn1C ZINC000683592168 542702810 /nfs/dbraw/zinc/70/28/10/542702810.db2.gz PAVURYRFYCXJJI-UHFFFAOYSA-N -1 1 288.282 2.544 20 0 CFADMM CCCc1cc(-c2nc(-c3ccc([O-])cc3F)no2)n[nH]1 ZINC000683592109 542702889 /nfs/dbraw/zinc/70/28/89/542702889.db2.gz LXUMQWUDZZRNMW-UHFFFAOYSA-N -1 1 288.282 2.924 20 0 CFADMM CN(C(=O)c1cc2ccccc2cc1[O-])[C@@H]1CCCC[C@H]1O ZINC000317994294 393527407 /nfs/dbraw/zinc/52/74/07/393527407.db2.gz PENHVACHVSSGEF-HZPDHXFCSA-N -1 1 299.370 2.921 20 0 CFADMM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc([O-])c(F)c1 ZINC000684335080 542789349 /nfs/dbraw/zinc/78/93/49/542789349.db2.gz BBCBNEDDPNBCBE-CBAPKCEASA-N -1 1 291.244 2.944 20 0 CFADMM CC(C)(NC(=O)c1cc(Cl)ccc1[O-])C(F)F ZINC000684341109 542790051 /nfs/dbraw/zinc/79/00/51/542790051.db2.gz DWTSGXXDVCXAPZ-UHFFFAOYSA-N -1 1 263.671 2.819 20 0 CFADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc([O-])cc1F ZINC000187443164 393553998 /nfs/dbraw/zinc/55/39/98/393553998.db2.gz GYBYLVHVYKTVOD-NOZJJQNGSA-N -1 1 251.301 2.792 20 0 CFADMM COCc1cccc(CNC(=O)c2cc(F)ccc2[O-])c1 ZINC000081942213 393737897 /nfs/dbraw/zinc/73/78/97/393737897.db2.gz FTODYGGXURCXTE-UHFFFAOYSA-N -1 1 289.306 2.608 20 0 CFADMM COc1ccccc1[C@H](NCc1ccc(F)cc1)C(=O)[O-] ZINC000211401617 393753526 /nfs/dbraw/zinc/75/35/26/393753526.db2.gz WBNFRPUYYNCOCQ-HNNXBMFYSA-N -1 1 289.306 2.750 20 0 CFADMM O=C(Nc1cnn(-c2ccccc2)c1)c1ccc(O)cc1[O-] ZINC000194492393 393701769 /nfs/dbraw/zinc/70/17/69/393701769.db2.gz BZUQDDNCRGEXKY-UHFFFAOYSA-N -1 1 295.298 2.536 20 0 CFADMM CSC1(CNC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000194644397 393711742 /nfs/dbraw/zinc/71/17/42/393711742.db2.gz LUGQXZLFQCGODT-UHFFFAOYSA-N -1 1 271.769 2.671 20 0 CFADMM CN(C(=O)c1cc(F)ccc1[O-])C1Cc2ccccc2C1 ZINC000336337554 393729387 /nfs/dbraw/zinc/72/93/87/393729387.db2.gz UKICQEDDHRMRMW-UHFFFAOYSA-N -1 1 285.318 2.771 20 0 CFADMM CCOC(=O)CC[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000089880692 393771816 /nfs/dbraw/zinc/77/18/16/393771816.db2.gz FCSNLGDMHBIURB-VIFPVBQESA-N -1 1 299.754 2.507 20 0 CFADMM O=C(N[C@H]1CCc2ccccc2C1)c1c([O-])cccc1F ZINC000228838111 393776187 /nfs/dbraw/zinc/77/61/87/393776187.db2.gz KRYGOQMXGQPYJI-ZDUSSCGKSA-N -1 1 285.318 2.819 20 0 CFADMM CC(C)(C)C[C@@H](CO)NC(=O)c1ccc(Cl)cc1[O-] ZINC000092519921 393788993 /nfs/dbraw/zinc/78/89/93/393788993.db2.gz MMWSTLNCIZGIHQ-JTQLQIEISA-N -1 1 285.771 2.573 20 0 CFADMM O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000424254435 393803920 /nfs/dbraw/zinc/80/39/20/393803920.db2.gz GWYVEZZJVXZGFF-CQSZACIVSA-N -1 1 291.347 2.604 20 0 CFADMM COc1cccc(SC)c1[N-]C(=O)c1snnc1C ZINC000416127139 393875631 /nfs/dbraw/zinc/87/56/31/393875631.db2.gz YXNSJKVCJJEWKM-UHFFFAOYSA-N -1 1 295.389 2.829 20 0 CFADMM CCOc1cc(C(=O)NC[C@H]2CC23CC3)cc(Cl)c1[O-] ZINC000416256901 393890210 /nfs/dbraw/zinc/89/02/10/393890210.db2.gz KWCMTBPZPHTOGO-SNVBAGLBSA-N -1 1 295.766 2.974 20 0 CFADMM C[C@@H]1CCC[N@H+](Cc2cccc([O-])c2Cl)[C@@H]1C(=O)[O-] ZINC000424419074 393846302 /nfs/dbraw/zinc/84/63/02/393846302.db2.gz ZQRJLTXPDQSXHP-RNCFNFMXSA-N -1 1 283.755 2.731 20 0 CFADMM C[C@@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)[C@@H]1C(=O)[O-] ZINC000424419074 393846303 /nfs/dbraw/zinc/84/63/03/393846303.db2.gz ZQRJLTXPDQSXHP-RNCFNFMXSA-N -1 1 283.755 2.731 20 0 CFADMM CC(C)[C@@H]1CCCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000117398811 393909835 /nfs/dbraw/zinc/90/98/35/393909835.db2.gz XNJQTPCHIQLPGZ-AWEZNQCLSA-N -1 1 299.374 2.574 20 0 CFADMM O=C(N[C@@H]1CCc2ccccc21)c1c([O-])cccc1F ZINC000119159044 393915856 /nfs/dbraw/zinc/91/58/56/393915856.db2.gz JZQPSSVUJBNNBG-CYBMUJFWSA-N -1 1 271.291 2.949 20 0 CFADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ncccc1F ZINC000684843453 542861874 /nfs/dbraw/zinc/86/18/74/542861874.db2.gz AKPQSUVGXIWHMR-MRVPVSSYSA-N -1 1 278.258 2.556 20 0 CFADMM CCOCCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684869540 542864184 /nfs/dbraw/zinc/86/41/84/542864184.db2.gz UUFSQBRCSJKEET-UHFFFAOYSA-N -1 1 291.269 2.567 20 0 CFADMM O=C(NCc1cccnc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684869247 542864385 /nfs/dbraw/zinc/86/43/85/542864385.db2.gz QARVLJVIRFRWEF-UHFFFAOYSA-N -1 1 296.248 2.736 20 0 CFADMM CCn1cc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cn1 ZINC000684871307 542865081 /nfs/dbraw/zinc/86/50/81/542865081.db2.gz DVKYLEIYQBTZJK-UHFFFAOYSA-N -1 1 299.252 2.880 20 0 CFADMM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000416544555 393926423 /nfs/dbraw/zinc/92/64/23/393926423.db2.gz GUXRIHUZXLTOLW-GZMMTYOYSA-N -1 1 291.775 2.802 20 0 CFADMM O=C(Nc1ccccc1-n1cccn1)c1ccccc1[O-] ZINC000120610291 393937184 /nfs/dbraw/zinc/93/71/84/393937184.db2.gz LPHYBTQEKUYBPX-UHFFFAOYSA-N -1 1 279.299 2.830 20 0 CFADMM Cc1cc2ncc(-c3nc4ccc(C)cc4c(=O)[n-]3)cn2n1 ZINC000346140245 393921118 /nfs/dbraw/zinc/92/11/18/393921118.db2.gz YISSJNXXJKHQNU-UHFFFAOYSA-N -1 1 291.314 2.662 20 0 CFADMM CC[C@H](NC(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCCO1 ZINC000125994738 394017751 /nfs/dbraw/zinc/01/77/51/394017751.db2.gz YMRUYUQRWUYIMF-AAEUAGOBSA-N -1 1 283.755 2.733 20 0 CFADMM O=S(=O)([N-][C@@H]1[C@@H]2CCC[C@@H]21)c1c(F)cccc1Cl ZINC000486849551 393970860 /nfs/dbraw/zinc/97/08/60/393970860.db2.gz HTAFMCYOVBAGTN-AKZRSSKFSA-N -1 1 289.759 2.556 20 0 CFADMM CC(C)Oc1cc(C(=O)Nc2ccc(F)cc2[O-])ccn1 ZINC000436815773 394024415 /nfs/dbraw/zinc/02/44/15/394024415.db2.gz XYBUQFKGNPIWQK-UHFFFAOYSA-N -1 1 290.294 2.966 20 0 CFADMM CCc1ccc(C(=O)Nc2cccc(C)n2)c([O-])c1 ZINC000436818218 394024659 /nfs/dbraw/zinc/02/46/59/394024659.db2.gz JPONRVNVMIHCRI-UHFFFAOYSA-N -1 1 256.305 2.910 20 0 CFADMM Cc1cc(F)c(CN[C@H]2C=C[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000417614704 393984115 /nfs/dbraw/zinc/98/41/15/393984115.db2.gz FOBDTURASNGITO-ZJUUUORDSA-N -1 1 283.730 2.906 20 0 CFADMM CNC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430407903 393984983 /nfs/dbraw/zinc/98/49/83/393984983.db2.gz PDLLQOXYUABMAI-UHFFFAOYSA-N -1 1 294.310 2.680 20 0 CFADMM Cc1ccccc1CCNC(=O)c1cc(F)ccc1[O-] ZINC000124044845 393990471 /nfs/dbraw/zinc/99/04/71/393990471.db2.gz JYQQTOLJQKDSOI-UHFFFAOYSA-N -1 1 273.307 2.812 20 0 CFADMM CCCn1cc(CNCc2ccc(C(=O)[O-])c(C)c2)cn1 ZINC000417672473 393992307 /nfs/dbraw/zinc/99/23/07/393992307.db2.gz TVVKUKRPOJBYEK-UHFFFAOYSA-N -1 1 287.363 2.590 20 0 CFADMM C[C@H](CNC(=O)c1c([O-])cccc1F)Oc1ccccc1 ZINC000124519809 393996515 /nfs/dbraw/zinc/99/65/15/393996515.db2.gz XGEOWEZTGVPARS-LLVKDONJSA-N -1 1 289.306 2.729 20 0 CFADMM Cc1cnc(C(=O)N[C@H](C)c2ccc(Cl)cn2)c([O-])c1 ZINC000352038928 394010306 /nfs/dbraw/zinc/01/03/06/394010306.db2.gz NQCKDNWESYPVSZ-SECBINFHSA-N -1 1 291.738 2.635 20 0 CFADMM COCC1(CCNC(=O)c2cc(Cl)ccc2[O-])CCC1 ZINC000436958898 394038572 /nfs/dbraw/zinc/03/85/72/394038572.db2.gz ANVPFDDOIGAZJZ-UHFFFAOYSA-N -1 1 297.782 2.982 20 0 CFADMM CC[C@@H](CC(F)(F)F)NC(=O)c1ccc([O-])cc1F ZINC000436984591 394040578 /nfs/dbraw/zinc/04/05/78/394040578.db2.gz ZQYNNCGQJQIZDO-ZETCQYMHSA-N -1 1 279.233 2.992 20 0 CFADMM CN(CCc1cccs1)C(=O)c1c([O-])cccc1F ZINC000127006808 394041061 /nfs/dbraw/zinc/04/10/61/394041061.db2.gz WQPLOKRJLMTBCD-UHFFFAOYSA-N -1 1 279.336 2.908 20 0 CFADMM CC(C)Cc1ncc(NC(=O)c2cc(F)ccc2[O-])cn1 ZINC000437002316 394042404 /nfs/dbraw/zinc/04/24/04/394042404.db2.gz XHJYDVQCIPZRGJ-UHFFFAOYSA-N -1 1 289.310 2.772 20 0 CFADMM O=C(Nc1cccc(-c2nnco2)c1)c1ccccc1[O-] ZINC000130095188 394101632 /nfs/dbraw/zinc/10/16/32/394101632.db2.gz LCKPBBMGMMHWBX-UHFFFAOYSA-N -1 1 281.271 2.695 20 0 CFADMM Cc1cnc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)c([O-])c1 ZINC000437411805 394056140 /nfs/dbraw/zinc/05/61/40/394056140.db2.gz WCGZJBVQJRUSAA-HDJSIYSDSA-N -1 1 282.343 2.772 20 0 CFADMM Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccccc1[O-] ZINC000129942499 394097682 /nfs/dbraw/zinc/09/76/82/394097682.db2.gz UCJKLDQPSDAYMJ-UHFFFAOYSA-N -1 1 298.342 2.655 20 0 CFADMM C[C@@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000436891431 394031605 /nfs/dbraw/zinc/03/16/05/394031605.db2.gz IOZVUCNBBQDPPU-LLVKDONJSA-N -1 1 281.311 2.725 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CCCCCO1 ZINC000436884263 394031775 /nfs/dbraw/zinc/03/17/75/394031775.db2.gz DYBVEWBGAGRKOM-UHFFFAOYSA-N -1 1 255.701 2.603 20 0 CFADMM C[C@@H]1CC[C@H](NC(=O)C(=O)c2ccc([O-])cc2)C[C@@H]1C ZINC000436895919 394032784 /nfs/dbraw/zinc/03/27/84/394032784.db2.gz KNQBVQZUHHBNPK-MDZLAQPJSA-N -1 1 275.348 2.516 20 0 CFADMM C[C@H]1CCC[C@@H](CCNC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436898461 394032911 /nfs/dbraw/zinc/03/29/11/394032911.db2.gz XTTJIDDGZXVDHA-STQMWFEESA-N -1 1 289.375 2.908 20 0 CFADMM CC1(C)CN(C(=O)C(=O)c2ccc([O-])cc2)CC(C)(C)C1 ZINC000436908438 394033753 /nfs/dbraw/zinc/03/37/53/394033753.db2.gz MTQUWMDEHMLFOQ-UHFFFAOYSA-N -1 1 289.375 2.860 20 0 CFADMM O=C([O-])CC[C@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000420274878 394113139 /nfs/dbraw/zinc/11/31/39/394113139.db2.gz OZZDTFKOEZCBKT-CYBMUJFWSA-N -1 1 295.354 2.781 20 0 CFADMM Cc1cccc2nc(CNC(=O)c3ccccc3O)[nH]c21 ZINC000130727186 394118152 /nfs/dbraw/zinc/11/81/52/394118152.db2.gz FSFDOCOCYKVJIY-UHFFFAOYSA-N -1 1 281.315 2.507 20 0 CFADMM C[C@@H]1CCN(C(=O)c2cncc([O-])c2)c2ccccc21 ZINC000283929108 394133180 /nfs/dbraw/zinc/13/31/80/394133180.db2.gz JMJJKCPKEVSQEX-LLVKDONJSA-N -1 1 268.316 2.941 20 0 CFADMM Cc1nsc([N-]C(=O)c2nc(C(C)C)oc2C)n1 ZINC000285910541 394165393 /nfs/dbraw/zinc/16/53/93/394165393.db2.gz DFQPKDDJJUGFAU-UHFFFAOYSA-N -1 1 266.326 2.519 20 0 CFADMM C[C@@H]1CC[C@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000132942746 394166705 /nfs/dbraw/zinc/16/67/05/394166705.db2.gz SVTIWRHKSKUJRD-SCZZXKLOSA-N -1 1 253.729 2.964 20 0 CFADMM CCCc1cc([N-]S(=O)(=O)c2cc(F)ccc2C)[nH]n1 ZINC000135009469 394208868 /nfs/dbraw/zinc/20/88/68/394208868.db2.gz LXIGVDDRNIYXAU-UHFFFAOYSA-N -1 1 297.355 2.611 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@@H](CO)C1 ZINC000367535472 394257557 /nfs/dbraw/zinc/25/75/57/394257557.db2.gz IFMNNADEIXGTRJ-CYBMUJFWSA-N -1 1 299.370 2.780 20 0 CFADMM CCC[C@H](NC(=O)CC1CCCCCC1)c1nn[n-]n1 ZINC000136649180 394234909 /nfs/dbraw/zinc/23/49/09/394234909.db2.gz DPNSLEFCWWHVFI-LBPRGKRZSA-N -1 1 279.388 2.518 20 0 CFADMM Cc1c(Cl)c(CN[C@@]2(C(=O)[O-])CCC[C@@H](C)C2)nn1C ZINC000421817228 394242957 /nfs/dbraw/zinc/24/29/57/394242957.db2.gz SLAOVKLTACKPEM-OTYXRUKQSA-N -1 1 299.802 2.505 20 0 CFADMM CO[C@H](CNC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000154816700 394302685 /nfs/dbraw/zinc/30/26/85/394302685.db2.gz BLHFULBPNUZRBF-OAHLLOKOSA-N -1 1 289.306 2.649 20 0 CFADMM CCC[C@@H]1SCCN1C(=O)c1ccc([O-])cc1F ZINC000154897627 394305281 /nfs/dbraw/zinc/30/52/81/394305281.db2.gz GJXSWIJPDXGCOV-LBPRGKRZSA-N -1 1 269.341 2.847 20 0 CFADMM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451063285 394352973 /nfs/dbraw/zinc/35/29/73/394352973.db2.gz UXDOEPCFSDKMFQ-WCBMZHEXSA-N -1 1 283.324 2.506 20 0 CFADMM C[C@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2cccc(F)c2[O-])C1 ZINC000527614212 394391838 /nfs/dbraw/zinc/39/18/38/394391838.db2.gz MODGQJVQDGADOK-WCBMZHEXSA-N -1 1 289.310 2.559 20 0 CFADMM CC[C@@H]([N-]S(=O)(=O)Cc1ccc(C)c(C)c1)C(F)F ZINC000451078914 394355977 /nfs/dbraw/zinc/35/59/77/394355977.db2.gz GMXSILIMGIGRQN-GFCCVEGCSA-N -1 1 291.363 2.767 20 0 CFADMM CC[C@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)C(F)F ZINC000451082957 394356233 /nfs/dbraw/zinc/35/62/33/394356233.db2.gz OUNNQQUKPDYSKM-JQWIXIFHSA-N -1 1 291.363 2.753 20 0 CFADMM CC1(C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 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ZINC000685434898 542912724 /nfs/dbraw/zinc/91/27/24/542912724.db2.gz DEDSMNXKBASVMO-UHFFFAOYSA-N -1 1 289.241 2.570 20 0 CFADMM Cc1nccc(NC(=O)c2c(F)ccc([O-])c2F)c1Cl ZINC000685463698 542919247 /nfs/dbraw/zinc/91/92/47/542919247.db2.gz KHUXXGQORQNAHZ-UHFFFAOYSA-N -1 1 298.676 2.701 20 0 CFADMM COc1c(C)cc(Cl)cc1[N-]S(=O)(=O)C1CC1 ZINC000530146413 394460901 /nfs/dbraw/zinc/46/09/01/394460901.db2.gz HSJPXRCITKKTJP-UHFFFAOYSA-N -1 1 275.757 2.561 20 0 CFADMM Cc1cc(F)ccc1CN1CCc2occc2[C@H]1C(=O)[O-] ZINC000530166122 394464919 /nfs/dbraw/zinc/46/49/19/394464919.db2.gz KEJQMCONPLFOIJ-HNNXBMFYSA-N -1 1 289.306 2.911 20 0 CFADMM CC(C)n1ccc(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)n1 ZINC000530174897 394470110 /nfs/dbraw/zinc/47/01/10/394470110.db2.gz MUOZKFGUNGWCQE-RYUDHWBXSA-N -1 1 279.384 2.538 20 0 CFADMM CC[C@@H](C)[C@H](OC)C(=O)Nc1cccc(F)c1[O-] ZINC000530005047 394441235 /nfs/dbraw/zinc/44/12/35/394441235.db2.gz HNAFNSZMOVNKKR-PELKAZGASA-N -1 1 255.289 2.531 20 0 CFADMM 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-1 1 291.775 2.946 20 0 CFADMM COc1ccc(F)cc1CC(=O)Nc1ccc(F)cc1[O-] ZINC000360662046 524306797 /nfs/dbraw/zinc/30/67/97/524306797.db2.gz DKJLCNXZSOMPNR-UHFFFAOYSA-N -1 1 293.269 2.860 20 0 CFADMM Cc1cc(CN(C)C(=O)c2ncccc2[O-])ccc1F ZINC000336424200 524656138 /nfs/dbraw/zinc/65/61/38/524656138.db2.gz RAMCTENMVJNPIH-UHFFFAOYSA-N -1 1 274.295 2.507 20 0 CFADMM Cc1ccccc1C1=CCN(C(=O)c2cncc([O-])c2)C1 ZINC000336140473 525084720 /nfs/dbraw/zinc/08/47/20/525084720.db2.gz FFWZGIDKTXVQGE-UHFFFAOYSA-N -1 1 280.327 2.635 20 0 CFADMM C[C@]1(C(=O)[O-])CCN(Cc2cc(Cl)ccc2F)C1 ZINC000165673039 525231482 /nfs/dbraw/zinc/23/14/82/525231482.db2.gz HHKHFPHFVZEPAP-ZDUSSCGKSA-N -1 1 271.719 2.776 20 0 CFADMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC000050920445 525437037 /nfs/dbraw/zinc/43/70/37/525437037.db2.gz CKKMXNLYTVWOKD-NSHDSACASA-N -1 1 256.305 2.631 20 0 CFADMM C[C@@]1(c2nc(-c3ccc([O-])cc3F)no2)CC1(F)F ZINC000334999232 525908713 /nfs/dbraw/zinc/90/87/13/525908713.db2.gz FIGHKWHDUIUBLH-NSHDSACASA-N -1 1 270.210 2.878 20 0 CFADMM CSc1cccc(S(=O)(=O)[N-]c2ncccc2F)c1 ZINC000335050391 526146156 /nfs/dbraw/zinc/14/61/56/526146156.db2.gz UGNKRWSGHISYFN-UHFFFAOYSA-N -1 1 298.364 2.743 20 0 CFADMM C[C@H]1CCCC[C@@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000335101811 526258351 /nfs/dbraw/zinc/25/83/51/526258351.db2.gz GNNDIOGNFCEOEN-WPRPVWTQSA-N -1 1 269.291 2.979 20 0 CFADMM O=C(CC1(O)CCCC1)Nc1ccc([O-])c(Cl)c1 ZINC000305253433 526332562 /nfs/dbraw/zinc/33/25/62/526332562.db2.gz VSRSZVKGVDFDCS-UHFFFAOYSA-N -1 1 269.728 2.679 20 0 CFADMM [O-]c1ccc(-c2noc([C@H]3CCSC3)n2)c(F)c1 ZINC000336179523 526340478 /nfs/dbraw/zinc/34/04/78/526340478.db2.gz MRFXAQOIOYOYAM-ZETCQYMHSA-N -1 1 266.297 2.802 20 0 CFADMM Cc1csc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c1 ZINC000334799199 526396857 /nfs/dbraw/zinc/39/68/57/526396857.db2.gz FAWAANFKWKIUJV-UHFFFAOYSA-N -1 1 285.394 2.704 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@]12CCOC2 ZINC000320065612 526640338 /nfs/dbraw/zinc/64/03/38/526640338.db2.gz YBAIUHDRKLMJDC-SFHVURJKSA-N -1 1 297.354 2.941 20 0 CFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H]1C(C)C ZINC000334187419 526660022 /nfs/dbraw/zinc/66/00/22/526660022.db2.gz HXEZFNUHYORSMB-NSHDSACASA-N -1 1 291.395 2.659 20 0 CFADMM NC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000336043648 526831433 /nfs/dbraw/zinc/83/14/33/526831433.db2.gz VXDWQWIGHSMJHX-RKDXNWHRSA-N -1 1 280.299 2.811 20 0 CFADMM O=C(N[C@@H]1CSc2ccccc21)C(=O)c1ccc([O-])cc1 ZINC000336330884 526964456 /nfs/dbraw/zinc/96/44/56/526964456.db2.gz LZUQSCZAWAIHLZ-CYBMUJFWSA-N -1 1 299.351 2.538 20 0 CFADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1F ZINC000316202837 527134073 /nfs/dbraw/zinc/13/40/73/527134073.db2.gz XZTGAXUCWMGHNK-UHFFFAOYSA-N -1 1 297.289 2.761 20 0 CFADMM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1ccccn1 ZINC000243730246 527193224 /nfs/dbraw/zinc/19/32/24/527193224.db2.gz PTBPNXMANPBHIJ-UHFFFAOYSA-N -1 1 282.752 2.677 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1COc2ccccc2C1 ZINC000340329192 527213874 /nfs/dbraw/zinc/21/38/74/527213874.db2.gz WTFKUVORZRWKRW-LLVKDONJSA-N -1 1 287.290 2.721 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCC[C@@H](F)C1 ZINC000335106042 527214463 /nfs/dbraw/zinc/21/44/63/527214463.db2.gz BWBHQYQTHFGKPC-DTWKUNHWSA-N -1 1 255.264 2.998 20 0 CFADMM O=S(=O)([N-][C@H]1CCC[C@H]1F)c1cc2ccccc2o1 ZINC000336023780 527242146 /nfs/dbraw/zinc/24/21/46/527242146.db2.gz ADLGEYMEMPAYBI-MNOVXSKESA-N -1 1 283.324 2.602 20 0 CFADMM O=S(=O)([N-]c1ccsc1Cl)c1ccoc1 ZINC000334182881 527256553 /nfs/dbraw/zinc/25/65/53/527256553.db2.gz FNMGIWUOJFUENA-UHFFFAOYSA-N -1 1 263.727 2.795 20 0 CFADMM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1ccccc1[O-] ZINC000171254263 527274122 /nfs/dbraw/zinc/27/41/22/527274122.db2.gz ZAZZGYLWEYFJSM-UHFFFAOYSA-N -1 1 296.326 2.919 20 0 CFADMM O=C(NC1(c2ccc(Cl)cc2)CC1)c1cncc([O-])c1 ZINC000339933598 527474142 /nfs/dbraw/zinc/47/41/42/527474142.db2.gz XHEBAXZGMXGMJZ-UHFFFAOYSA-N -1 1 288.734 2.860 20 0 CFADMM O=c1[nH]c([C@H]2CCC(F)(F)C2)nc2cc(F)c([O-])cc12 ZINC000334943519 527496958 /nfs/dbraw/zinc/49/69/58/527496958.db2.gz IGZCZJGPDUSLBU-LURJTMIESA-N -1 1 284.237 2.671 20 0 CFADMM Cn1nc(C(=O)Nc2ccc([O-])c(F)c2F)cc1C1CC1 ZINC000335018055 527547720 /nfs/dbraw/zinc/54/77/20/527547720.db2.gz LXSDTWPTNDWGLZ-UHFFFAOYSA-N -1 1 293.273 2.534 20 0 CFADMM [O-]c1cccc(CN[C@@H](CO)c2ccsc2)c1Cl ZINC000339357866 527608833 /nfs/dbraw/zinc/60/88/33/527608833.db2.gz VXZCOSHJYNUYES-NSHDSACASA-N -1 1 283.780 2.930 20 0 CFADMM O=C(NCCC1CCCCC1)c1nc2ccccc2c(=O)[n-]1 ZINC000073891515 527631666 /nfs/dbraw/zinc/63/16/66/527631666.db2.gz SBTREQGYWMAJKZ-UHFFFAOYSA-N -1 1 299.374 2.623 20 0 CFADMM CC(C)CC1(CNC(=O)c2csc(=NC3CC3)[n-]2)CC1 ZINC000426814029 527695049 /nfs/dbraw/zinc/69/50/49/527695049.db2.gz BTQRVUBMNAYEKP-UHFFFAOYSA-N -1 1 293.436 2.695 20 0 CFADMM CCCCCN(CCCOC)C(=O)c1ncc(C)cc1[O-] ZINC000428035268 528171789 /nfs/dbraw/zinc/17/17/89/528171789.db2.gz PHXTWJLBUKHSNE-UHFFFAOYSA-N -1 1 294.395 2.765 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@H]2CCC(C)(C)C2=O)n1 ZINC000412975207 528613777 /nfs/dbraw/zinc/61/37/77/528613777.db2.gz FLWGGBNSKFWOQY-JTQLQIEISA-N -1 1 280.393 2.985 20 0 CFADMM CCC(CC)(CCO)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000155586332 528642881 /nfs/dbraw/zinc/64/28/81/528642881.db2.gz JHPIFAIZHGASKQ-UHFFFAOYSA-N -1 1 299.798 2.964 20 0 CFADMM CCn1ccc(CNCc2cccc([O-])c2Cl)n1 ZINC000414486740 529171124 /nfs/dbraw/zinc/17/11/24/529171124.db2.gz UGRJJJATFYAXFH-UHFFFAOYSA-N -1 1 265.744 2.552 20 0 CFADMM CC1(F)CC(NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000452283881 535173360 /nfs/dbraw/zinc/17/33/60/535173360.db2.gz MYZVSWYANBQYPQ-UHFFFAOYSA-N -1 1 257.692 2.666 20 0 CFADMM CC1(C)C[C@@H](CNC(=O)c2ccc(Cl)cc2[O-])CCO1 ZINC000457156450 535364933 /nfs/dbraw/zinc/36/49/33/535364933.db2.gz LSROBCBNSDKMDV-JTQLQIEISA-N -1 1 297.782 2.981 20 0 CFADMM CCCc1nc(=N[C@H](C(=O)OC(C)(C)C)C(C)C)s[n-]1 ZINC000461942344 535477761 /nfs/dbraw/zinc/47/77/61/535477761.db2.gz BXVOPPCWKSESHW-NSHDSACASA-N -1 1 299.440 2.691 20 0 CFADMM Cc1noc(C)c1[C@H](C)NC(=O)c1cc(F)ccc1[O-] ZINC000080028109 545512468 /nfs/dbraw/zinc/51/24/68/545512468.db2.gz ZISRORUFSLHIHC-ZETCQYMHSA-N -1 1 278.283 2.627 20 0 CFADMM CCC[C@@H](C)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736422947 574050252 /nfs/dbraw/zinc/05/02/52/574050252.db2.gz LCWPDNRIEUBLFQ-MRVPVSSYSA-N -1 1 280.763 2.540 20 0 CFADMM CCC[C@@H](C)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736422947 574050255 /nfs/dbraw/zinc/05/02/55/574050255.db2.gz LCWPDNRIEUBLFQ-MRVPVSSYSA-N -1 1 280.763 2.540 20 0 CFADMM CCC(CC)(CO)CNC(=O)c1c([O-])cccc1Cl ZINC000753834199 574050384 /nfs/dbraw/zinc/05/03/84/574050384.db2.gz WBISKQLJUXIERI-UHFFFAOYSA-N -1 1 285.771 2.574 20 0 CFADMM CCC[C@H](C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000736422858 574050492 /nfs/dbraw/zinc/05/04/92/574050492.db2.gz JZMVISMGEJLOKP-LURJTMIESA-N -1 1 286.792 2.601 20 0 CFADMM CCC[C@H](C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000736422858 574050495 /nfs/dbraw/zinc/05/04/95/574050495.db2.gz JZMVISMGEJLOKP-LURJTMIESA-N -1 1 286.792 2.601 20 0 CFADMM C[C@H](CN(C)[C@H](C)c1nnc(-c2cccs2)o1)C(=O)[O-] ZINC000736573380 574061077 /nfs/dbraw/zinc/06/10/77/574061077.db2.gz UUFYMDQBQFUVAE-RKDXNWHRSA-N -1 1 295.364 2.512 20 0 CFADMM CCCC[C@H](COC)NC(=O)c1c([O-])cccc1Cl ZINC000736695196 574066980 /nfs/dbraw/zinc/06/69/80/574066980.db2.gz YLWAZVCRFWXLHR-SNVBAGLBSA-N -1 1 285.771 2.981 20 0 CFADMM C[C@H](c1cccc(O)c1)N(C)Cc1ccoc1C(=O)[O-] ZINC000736719291 574068652 /nfs/dbraw/zinc/06/86/52/574068652.db2.gz XBAANNMBFPRXPM-SNVBAGLBSA-N -1 1 275.304 2.876 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000750540405 574069557 /nfs/dbraw/zinc/06/95/57/574069557.db2.gz ZNKNBNFITGUMFY-QWRGUYRKSA-N -1 1 295.766 2.544 20 0 CFADMM CC[C@H](C)CN(C)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736879385 574084068 /nfs/dbraw/zinc/08/40/68/574084068.db2.gz DAXNCRWAILYJLQ-JOYOIKCWSA-N -1 1 294.395 2.879 20 0 CFADMM CC(C)=C(C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000750941098 574086680 /nfs/dbraw/zinc/08/66/80/574086680.db2.gz QCHFWIZUKRLQAJ-UHFFFAOYSA-N -1 1 288.299 2.898 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCC2CC2)c1 ZINC000745041789 574098308 /nfs/dbraw/zinc/09/83/08/574098308.db2.gz MRWHBETYEWDOJS-UHFFFAOYSA-N -1 1 276.332 2.871 20 0 CFADMM FC(F)(F)c1cccc(SCc2nn[n-]n2)c1 ZINC000745438111 574113128 /nfs/dbraw/zinc/11/31/28/574113128.db2.gz PTFIJIIERFQFMC-UHFFFAOYSA-N -1 1 260.244 2.511 20 0 CFADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)c1csc2ccccc12 ZINC000754737097 574128126 /nfs/dbraw/zinc/12/81/26/574128126.db2.gz MTNSQVOTFQZJIL-MRVPVSSYSA-N -1 1 274.349 2.576 20 0 CFADMM O=C(Nc1ccncc1[O-])c1cc2c(cccc2F)s1 ZINC000731859125 574130949 /nfs/dbraw/zinc/13/09/49/574130949.db2.gz SAZXDQZYJUBRQI-UHFFFAOYSA-N -1 1 288.303 2.815 20 0 CFADMM CCOc1cc(C(=O)Nc2cc(C)on2)cc(Cl)c1[O-] ZINC000731920345 574134377 /nfs/dbraw/zinc/13/43/77/574134377.db2.gz YOBVIUGHYCSMER-UHFFFAOYSA-N -1 1 296.710 2.993 20 0 CFADMM Cc1cccc2c1CCN(Cc1cc(C(=O)[O-])co1)C2 ZINC000738746980 574164067 /nfs/dbraw/zinc/16/40/67/574164067.db2.gz BJWZKRMFDMVKQD-UHFFFAOYSA-N -1 1 271.316 2.845 20 0 CFADMM c1oc2ccccc2c1CNc1cccc(-c2nnn[n-]2)n1 ZINC000738418467 574167964 /nfs/dbraw/zinc/16/79/64/574167964.db2.gz IWVLDIZIFVBAEN-UHFFFAOYSA-N -1 1 292.302 2.620 20 0 CFADMM c1oc2ccccc2c1CNc1cccc(-c2nn[n-]n2)n1 ZINC000738418467 574167967 /nfs/dbraw/zinc/16/79/67/574167967.db2.gz IWVLDIZIFVBAEN-UHFFFAOYSA-N -1 1 292.302 2.620 20 0 CFADMM CC(C)[C@@H](CNCc1c(F)cccc1Cl)NC(=O)[O-] ZINC000738795442 574185045 /nfs/dbraw/zinc/18/50/45/574185045.db2.gz WVMBBHFACXLXMM-GFCCVEGCSA-N -1 1 288.750 2.861 20 0 CFADMM CC[C@@H](C)CN(C)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747388265 574193707 /nfs/dbraw/zinc/19/37/07/574193707.db2.gz CNCGNLNJYADZIE-SNVBAGLBSA-N -1 1 279.384 2.732 20 0 CFADMM CC(C)Cc1cc(NC(=O)c2ccccc2[O-])n(C)n1 ZINC000747403568 574194715 /nfs/dbraw/zinc/19/47/15/574194715.db2.gz YFXIZYQXFWULSN-UHFFFAOYSA-N -1 1 273.336 2.577 20 0 CFADMM C[C@H](c1ccccc1F)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739060166 574195948 /nfs/dbraw/zinc/19/59/48/574195948.db2.gz NNNNTBAAHKNEBC-NEPJUHHUSA-N -1 1 280.343 2.961 20 0 CFADMM Cc1ccc(NC(=O)c2c([O-])cccc2Cl)c(=O)[nH]1 ZINC000756240597 574218280 /nfs/dbraw/zinc/21/82/80/574218280.db2.gz AVSYYSUWSHENCP-UHFFFAOYSA-N -1 1 278.695 2.707 20 0 CFADMM O=C([O-])NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000739937502 574229676 /nfs/dbraw/zinc/22/96/76/574229676.db2.gz YJCJHHAXXNVFTR-ZDUSSCGKSA-N -1 1 282.771 2.962 20 0 CFADMM CCc1ccc(CN[C@@H](CC(C)(C)C)C(=O)[O-])o1 ZINC000756367632 574230008 /nfs/dbraw/zinc/23/00/08/574230008.db2.gz VEJFXYOQPACPRS-LBPRGKRZSA-N -1 1 253.342 2.821 20 0 CFADMM Cc1csc(COC(=O)c2c([O-])cc(F)cc2F)n1 ZINC000756390137 574232746 /nfs/dbraw/zinc/23/27/46/574232746.db2.gz HRRXONCXTFETJZ-UHFFFAOYSA-N -1 1 285.271 2.792 20 0 CFADMM Cc1ccc(CNCc2ccc(CCNC(=O)[O-])cc2)o1 ZINC000740128665 574238126 /nfs/dbraw/zinc/23/81/26/574238126.db2.gz CEWMNMAGBUWUFD-UHFFFAOYSA-N -1 1 288.347 2.688 20 0 CFADMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)c1cccnc1 ZINC000733469986 574240904 /nfs/dbraw/zinc/24/09/04/574240904.db2.gz FHDSQKZFNFFUMQ-QMMMGPOBSA-N -1 1 279.242 2.983 20 0 CFADMM Cc1nc(CN[C@@]2(CNC(=O)[O-])CCCC[C@@H]2C)cs1 ZINC000740224712 574243374 /nfs/dbraw/zinc/24/33/74/574243374.db2.gz RTADBOPPWLYWMH-IINYFYTJSA-N -1 1 297.424 2.758 20 0 CFADMM CCC[C@@H](CCO)CNC(=O)c1c([O-])cccc1Cl ZINC000748377922 574249942 /nfs/dbraw/zinc/24/99/42/574249942.db2.gz YSKVHLJLNMUYCP-JTQLQIEISA-N -1 1 285.771 2.574 20 0 CFADMM O=C([O-])N1CC[C@@H](CN2CCc3[nH]c4ccccc4c3C2)C1 ZINC000740503086 574251523 /nfs/dbraw/zinc/25/15/23/574251523.db2.gz KKPKNLOIKMSWET-LBPRGKRZSA-N -1 1 299.374 2.526 20 0 CFADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccccc1C(C)C ZINC000730099499 574252367 /nfs/dbraw/zinc/25/23/67/574252367.db2.gz QKPMBYKYGQNWKW-UHFFFAOYSA-N -1 1 280.349 2.609 20 0 CFADMM O=C([O-])N1CC[C@@H](Nc2ccnc3cc(F)ccc32)C1 ZINC000740506305 574252431 /nfs/dbraw/zinc/25/24/31/574252431.db2.gz KNLWIDFKWSRYTI-SNVBAGLBSA-N -1 1 275.283 2.538 20 0 CFADMM O=C([O-])NC[C@H]1CCN(Cc2ccc(F)cc2Cl)C1 ZINC000740646982 574260200 /nfs/dbraw/zinc/26/02/00/574260200.db2.gz VIVSGVUYNIDVKL-SECBINFHSA-N -1 1 286.734 2.569 20 0 CFADMM C[C@H]1C[C@H]1c1ccc(C[N-]C(=O)C(F)(F)C(F)F)o1 ZINC000749354855 574290809 /nfs/dbraw/zinc/29/08/09/574290809.db2.gz ZZMKFOVGNNXSON-POYBYMJQSA-N -1 1 279.233 2.920 20 0 CFADMM CCO[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)C1(CC)CC ZINC000749469294 574296879 /nfs/dbraw/zinc/29/68/79/574296879.db2.gz NHRVJICECZOVIK-RKDXNWHRSA-N -1 1 267.291 2.649 20 0 CFADMM CCS[C@H]1CCCC[C@@H]1[N-]C(=O)C(F)(F)F ZINC000750145097 574327600 /nfs/dbraw/zinc/32/76/00/574327600.db2.gz SRQZWRQVFFOERT-YUMQZZPRSA-N -1 1 255.305 2.729 20 0 CFADMM CC(C)(C)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000735597079 574330274 /nfs/dbraw/zinc/33/02/74/574330274.db2.gz MAQOFMBZDVHOLT-UHFFFAOYSA-N -1 1 286.383 2.524 20 0 CFADMM CC(C)(C)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000735597079 574330276 /nfs/dbraw/zinc/33/02/76/574330276.db2.gz MAQOFMBZDVHOLT-UHFFFAOYSA-N -1 1 286.383 2.524 20 0 CFADMM CC(C)[C@@H](C)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000735711941 574333979 /nfs/dbraw/zinc/33/39/79/574333979.db2.gz ZJYSAGDVRULPHZ-SNVBAGLBSA-N -1 1 282.351 2.871 20 0 CFADMM CC(C)[C@@H](C)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000735711941 574333980 /nfs/dbraw/zinc/33/39/80/574333980.db2.gz ZJYSAGDVRULPHZ-SNVBAGLBSA-N -1 1 282.351 2.871 20 0 CFADMM CCC1(C(=O)OCCc2cc(C(C)=O)ccc2[O-])CC1 ZINC000750487440 574342907 /nfs/dbraw/zinc/34/29/07/574342907.db2.gz FOTBPXMSOGUFJO-UHFFFAOYSA-N -1 1 276.332 2.871 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1cc2ccccc2oc1=O ZINC000735925017 574343302 /nfs/dbraw/zinc/34/33/02/574343302.db2.gz MMEWWPNAKGWDDN-UHFFFAOYSA-N -1 1 299.257 2.890 20 0 CFADMM CC(C)c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000735928135 574343336 /nfs/dbraw/zinc/34/33/36/574343336.db2.gz GOEQYLJVXCOMRP-UHFFFAOYSA-N -1 1 294.362 2.997 20 0 CFADMM CC(C)c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000735928135 574343337 /nfs/dbraw/zinc/34/33/37/574343337.db2.gz GOEQYLJVXCOMRP-UHFFFAOYSA-N -1 1 294.362 2.997 20 0 CFADMM C[C@H](CCNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000735988021 574345752 /nfs/dbraw/zinc/34/57/52/574345752.db2.gz ZQKFXHNKGGQXMH-GFCCVEGCSA-N -1 1 294.362 2.867 20 0 CFADMM C[C@H](CCNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000735988021 574345754 /nfs/dbraw/zinc/34/57/54/574345754.db2.gz ZQKFXHNKGGQXMH-GFCCVEGCSA-N -1 1 294.362 2.867 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CCCS2)c1 ZINC000750892444 574359637 /nfs/dbraw/zinc/35/96/37/574359637.db2.gz URJUFNCAQOPVRO-AWEZNQCLSA-N -1 1 294.372 2.576 20 0 CFADMM CC(C)[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)N(C)C ZINC000736348217 574364177 /nfs/dbraw/zinc/36/41/77/574364177.db2.gz SWRIOPCNYOUGSG-LBPRGKRZSA-N -1 1 298.770 2.563 20 0 CFADMM O=C(NCCOC1CCC1)c1cc2ccccc2cc1[O-] ZINC000743747293 574371523 /nfs/dbraw/zinc/37/15/23/574371523.db2.gz NYNCNMRWEUPFNC-UHFFFAOYSA-N -1 1 285.343 2.844 20 0 CFADMM O=C(NCC1(C2CC2)CC1)c1c([O-])cccc1Cl ZINC000752642122 574393355 /nfs/dbraw/zinc/39/33/55/574393355.db2.gz TXSKZIJUQKBYRG-UHFFFAOYSA-N -1 1 265.740 2.966 20 0 CFADMM O=C([O-])C[C@@H]1CCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000069997008 597146368 /nfs/dbraw/zinc/14/63/68/597146368.db2.gz OTUZFJDYTIJHOJ-ZDUSSCGKSA-N -1 1 291.395 2.685 20 0 CFADMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1cncc(F)c1 ZINC000818053646 597244653 /nfs/dbraw/zinc/24/46/53/597244653.db2.gz RROWCNMQKFEFPJ-JTQLQIEISA-N -1 1 274.295 2.770 20 0 CFADMM Cc1ncc([C@@H](C)NCc2ccc(C(=O)[O-])cc2)c(C)n1 ZINC000819008793 597245353 /nfs/dbraw/zinc/24/53/53/597245353.db2.gz IABQTUFENBIYNV-SNVBAGLBSA-N -1 1 285.347 2.642 20 0 CFADMM Cc1c(F)cccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000822034373 607311896 /nfs/dbraw/zinc/31/18/96/607311896.db2.gz AGOICULQLMPUNZ-UHFFFAOYSA-N -1 1 273.271 2.519 20 0 CFADMM Cc1c(F)cccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000822034373 607311897 /nfs/dbraw/zinc/31/18/97/607311897.db2.gz AGOICULQLMPUNZ-UHFFFAOYSA-N -1 1 273.271 2.519 20 0 CFADMM CC(C)(C)c1nnc(CNC2CCC(C(=O)[O-])CC2)s1 ZINC000819932651 598109610 /nfs/dbraw/zinc/10/96/10/598109610.db2.gz RSLYHPNMQMUSOF-UHFFFAOYSA-N -1 1 297.424 2.569 20 0 CFADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cn1 ZINC000820142233 598160557 /nfs/dbraw/zinc/16/05/57/598160557.db2.gz QPKARLUKIBIBOU-SNVBAGLBSA-N -1 1 274.295 2.770 20 0 CFADMM CCc1noc(CC)c1CNCc1cccc(C(=O)[O-])c1 ZINC000263434584 598204254 /nfs/dbraw/zinc/20/42/54/598204254.db2.gz UBIFQLASUDROMM-UHFFFAOYSA-N -1 1 288.347 2.787 20 0 CFADMM COc1ccccc1[C@@H](N[C@H](C)CC(=O)[O-])c1ccco1 ZINC000820876271 598217282 /nfs/dbraw/zinc/21/72/82/598217282.db2.gz AMYLQEVHAXINPV-BDJLRTHQSA-N -1 1 289.331 2.830 20 0 CFADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N[C@@H]1CC=CCC1 ZINC000819718648 599563325 /nfs/dbraw/zinc/56/33/25/599563325.db2.gz MFJNWJKYGFMBMN-LLVKDONJSA-N -1 1 292.346 2.936 20 0 CFADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N[C@@H]1CC=CCC1 ZINC000819718648 599563327 /nfs/dbraw/zinc/56/33/27/599563327.db2.gz MFJNWJKYGFMBMN-LLVKDONJSA-N -1 1 292.346 2.936 20 0 CFADMM C[C@@H]1CCC[C@@H](C)N1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000020342889 599712153 /nfs/dbraw/zinc/71/21/53/599712153.db2.gz SGWKBYXBMGRDPF-VXGBXAGGSA-N -1 1 290.363 2.586 20 0 CFADMM Fc1cccc(OCCc2ccccc2)c1-c1nnn[n-]1 ZINC000826377914 607864689 /nfs/dbraw/zinc/86/46/89/607864689.db2.gz LZZGPNWYLAVUSC-UHFFFAOYSA-N -1 1 284.294 2.627 20 0 CFADMM Fc1cccc(OCCc2ccccc2)c1-c1nn[n-]n1 ZINC000826377914 607864690 /nfs/dbraw/zinc/86/46/90/607864690.db2.gz LZZGPNWYLAVUSC-UHFFFAOYSA-N -1 1 284.294 2.627 20 0 CFADMM O=C(NCCC1CCCCC1)c1cnc(C2CC2)[n-]c1=O ZINC000900162469 620645433 /nfs/dbraw/zinc/64/54/33/620645433.db2.gz AFXCNCHLGXJUKB-UHFFFAOYSA-N -1 1 289.379 2.760 20 0 CFADMM C/C(=C/CSc1nc2ccc(C)cc2[nH]1)C(=O)[O-] ZINC000214729697 601096828 /nfs/dbraw/zinc/09/68/28/601096828.db2.gz LFOKNZDIQWLCOA-UITAMQMPSA-N -1 1 262.334 2.994 20 0 CFADMM C/C(=C\CSc1nc2ccc(C)cc2[nH]1)C(=O)[O-] ZINC000088629998 601096928 /nfs/dbraw/zinc/09/69/28/601096928.db2.gz LFOKNZDIQWLCOA-WEVVVXLNSA-N -1 1 262.334 2.994 20 0 CFADMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900187092 620648800 /nfs/dbraw/zinc/64/88/00/620648800.db2.gz DXDBAXFTUJZYAQ-MFKMUULPSA-N -1 1 289.379 2.758 20 0 CFADMM CCC1CCN(Cn2nc(C(=O)[O-])c3ccccc32)CC1 ZINC000829134418 601397220 /nfs/dbraw/zinc/39/72/20/601397220.db2.gz XFTCVDMZUBSAHO-UHFFFAOYSA-N -1 1 287.363 2.814 20 0 CFADMM CC(C)Cc1ccc(CN2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000826912990 601445932 /nfs/dbraw/zinc/44/59/32/601445932.db2.gz MYNOQEVHBGYKPA-MRXNPFEDSA-N -1 1 279.355 2.884 20 0 CFADMM C[C@@H]1CN(Cc2nc(C(C)(C)C)cs2)C[C@H]1C(=O)[O-] ZINC000235328768 601515375 /nfs/dbraw/zinc/51/53/75/601515375.db2.gz OQPZICSSKBFJEJ-NXEZZACHSA-N -1 1 282.409 2.593 20 0 CFADMM C[C@@H]1CN(Cc2coc(-c3cccs3)n2)C[C@@H]1C(=O)[O-] ZINC000111254985 601537037 /nfs/dbraw/zinc/53/70/37/601537037.db2.gz MCXISRAHPDSUAV-KOLCDFICSA-N -1 1 292.360 2.556 20 0 CFADMM CC[C@@](C)(CC(=O)[O-])NCc1ncc(C(C)(C)C)o1 ZINC000828671947 601556216 /nfs/dbraw/zinc/55/62/16/601556216.db2.gz IWMHHFRLXWMQNA-AWEZNQCLSA-N -1 1 268.357 2.705 20 0 CFADMM O=C([O-])c1ccc(CSc2nc(C3CC3)n[nH]2)cc1F ZINC000713455347 601621751 /nfs/dbraw/zinc/62/17/51/601621751.db2.gz GQWKKYPIVSCYOT-UHFFFAOYSA-N -1 1 293.323 2.812 20 0 CFADMM O=C([O-])c1ccc(CSc2n[nH]c(C3CC3)n2)cc1F ZINC000713455347 601621752 /nfs/dbraw/zinc/62/17/52/601621752.db2.gz GQWKKYPIVSCYOT-UHFFFAOYSA-N -1 1 293.323 2.812 20 0 CFADMM CCN(Cc1ccnc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000825439498 607519174 /nfs/dbraw/zinc/51/91/74/607519174.db2.gz DKWXOFHYVCHEFY-UHFFFAOYSA-N -1 1 294.362 2.597 20 0 CFADMM CCN(Cc1ccnc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000825439498 607519175 /nfs/dbraw/zinc/51/91/75/607519175.db2.gz DKWXOFHYVCHEFY-UHFFFAOYSA-N -1 1 294.362 2.597 20 0 CFADMM CC1(C)CN(Cc2ccsc2C(=O)[O-])C(C)(C)CO1 ZINC000828074245 601827840 /nfs/dbraw/zinc/82/78/40/601827840.db2.gz CGPFQVYIXNFSSU-UHFFFAOYSA-N -1 1 283.393 2.836 20 0 CFADMM C[C@@H]1C[C@H]1c1ccc(CNCc2c[nH]c(C(=O)[O-])c2)o1 ZINC000828199855 601831505 /nfs/dbraw/zinc/83/15/05/601831505.db2.gz AORBFNIOCZVXQN-BXKDBHETSA-N -1 1 274.320 2.719 20 0 CFADMM C[C@@H](c1ccc(F)cc1)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739057738 601966779 /nfs/dbraw/zinc/96/67/79/601966779.db2.gz NVPOOHVXSOHDNT-FZMZJTMJSA-N -1 1 280.343 2.961 20 0 CFADMM Cc1ccc(SCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000095323558 607539645 /nfs/dbraw/zinc/53/96/45/607539645.db2.gz XYMBZAIVOPBJOS-UHFFFAOYSA-N -1 1 283.360 2.862 20 0 CFADMM Cc1ccc(SCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000095323558 607539646 /nfs/dbraw/zinc/53/96/46/607539646.db2.gz XYMBZAIVOPBJOS-UHFFFAOYSA-N -1 1 283.360 2.862 20 0 CFADMM Cc1ccccc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000095332971 607543831 /nfs/dbraw/zinc/54/38/31/607543831.db2.gz YEJZBKPERQMEAB-UHFFFAOYSA-N -1 1 283.360 2.862 20 0 CFADMM Cc1ccccc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000095332971 607543833 /nfs/dbraw/zinc/54/38/33/607543833.db2.gz YEJZBKPERQMEAB-UHFFFAOYSA-N -1 1 283.360 2.862 20 0 CFADMM CN(CCC1CC1)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825918401 607562768 /nfs/dbraw/zinc/56/27/68/607562768.db2.gz DRXPNXMEZDKXJQ-UHFFFAOYSA-N -1 1 294.362 2.651 20 0 CFADMM CN(CCC1CC1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825918401 607562769 /nfs/dbraw/zinc/56/27/69/607562769.db2.gz DRXPNXMEZDKXJQ-UHFFFAOYSA-N -1 1 294.362 2.651 20 0 CFADMM CN(C(=O)[O-])C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000203814659 602531901 /nfs/dbraw/zinc/53/19/01/602531901.db2.gz KYVWVGSSPYMHEH-UHFFFAOYSA-N -1 1 282.771 2.914 20 0 CFADMM C[C@H]1CN(c2ccnc3cc(F)ccc32)CCN1C(=O)[O-] ZINC000826082709 603195985 /nfs/dbraw/zinc/19/59/85/603195985.db2.gz UMQQICMHNBUIHY-JTQLQIEISA-N -1 1 289.310 2.562 20 0 CFADMM CN(CC1CC1)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900269910 620656507 /nfs/dbraw/zinc/65/65/07/620656507.db2.gz USYGTBZISNWRJI-UHFFFAOYSA-N -1 1 274.295 2.562 20 0 CFADMM C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736763300 603752890 /nfs/dbraw/zinc/75/28/90/603752890.db2.gz WDPMNBXPUGOMOV-QWRGUYRKSA-N -1 1 291.351 2.588 20 0 CFADMM C[C@@H](c1ccc(F)cc1)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825629684 603791089 /nfs/dbraw/zinc/79/10/89/603791089.db2.gz GLJSPEVVPKNJOF-GXFFZTMASA-N -1 1 266.316 2.571 20 0 CFADMM C[C@@H](c1ccccc1F)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825639348 603811499 /nfs/dbraw/zinc/81/14/99/603811499.db2.gz SCRPTAQQKBKSBT-WDEREUQCSA-N -1 1 266.316 2.571 20 0 CFADMM CC(C)Oc1ccccc1CN1CCC[C@H]1CNC(=O)[O-] ZINC000824425373 604075607 /nfs/dbraw/zinc/07/56/07/604075607.db2.gz OYCSKQBRFPBTCS-AWEZNQCLSA-N -1 1 292.379 2.706 20 0 CFADMM CCc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1F ZINC000825718275 607687306 /nfs/dbraw/zinc/68/73/06/607687306.db2.gz YNLUXNSYUGEAEE-UHFFFAOYSA-N -1 1 298.325 2.575 20 0 CFADMM CCc1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1F ZINC000825718275 607687307 /nfs/dbraw/zinc/68/73/07/607687307.db2.gz YNLUXNSYUGEAEE-UHFFFAOYSA-N -1 1 298.325 2.575 20 0 CFADMM C[C@H](NC(=O)[O-])c1ccc(CNCc2ccco2)cc1 ZINC000825401408 604414630 /nfs/dbraw/zinc/41/46/30/604414630.db2.gz CZHYQCPEFKMQFC-NSHDSACASA-N -1 1 274.320 2.898 20 0 CFADMM CC(C)COc1ccc(CN2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000833490400 604682998 /nfs/dbraw/zinc/68/29/98/604682998.db2.gz FDSZNRMBAZMGJM-MRXNPFEDSA-N -1 1 295.354 2.720 20 0 CFADMM Cc1ccc2c(c1)N(C(=O)c1cnc(C3CC3)[n-]c1=O)CC2 ZINC000900432208 620676706 /nfs/dbraw/zinc/67/67/06/620676706.db2.gz CUZRVBVYOCKDDM-UHFFFAOYSA-N -1 1 295.342 2.571 20 0 CFADMM C[C@@H](NCCN(C(=O)[O-])C1CC1)c1cccnc1Cl ZINC000825496966 604960830 /nfs/dbraw/zinc/96/08/30/604960830.db2.gz XQGIYWKLLFHFHH-SECBINFHSA-N -1 1 283.759 2.528 20 0 CFADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])[nH]2)[C@H]1c1ccccc1 ZINC000833629818 605110369 /nfs/dbraw/zinc/11/03/69/605110369.db2.gz MRYZLQKPKHJCIF-XHDPSFHLSA-N -1 1 270.332 2.906 20 0 CFADMM C[C@H]1C[C@H]1c1ccc(CNCc2ccc(C(=O)[O-])[nH]2)o1 ZINC000833602786 605114915 /nfs/dbraw/zinc/11/49/15/605114915.db2.gz BPFWJSITYMBASX-JOYOIKCWSA-N -1 1 274.320 2.719 20 0 CFADMM CC(C)(C)C[C@H](OC(=O)c1cccc2[nH]ncc21)C(=O)[O-] ZINC000833430729 605231540 /nfs/dbraw/zinc/23/15/40/605231540.db2.gz YWVKJHWKSYJCEO-LBPRGKRZSA-N -1 1 290.319 2.609 20 0 CFADMM CC(C)(C)c1nc(CNC2(CC(=O)[O-])CCC2)cs1 ZINC000833450450 605235209 /nfs/dbraw/zinc/23/52/09/605235209.db2.gz CMBHWVSBLCLTSK-UHFFFAOYSA-N -1 1 282.409 2.928 20 0 CFADMM C/C(=C/CN(C)Cc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000833382190 605245786 /nfs/dbraw/zinc/24/57/86/605245786.db2.gz HVTZEFWRUMPWHD-BAQGIRSFSA-N -1 1 273.254 2.567 20 0 CFADMM O=C([O-])Nc1ccc(CN[C@@H](c2cccnc2)C2CC2)cn1 ZINC000834260269 605422618 /nfs/dbraw/zinc/42/26/18/605422618.db2.gz NUCGGPASHDMLLK-OAHLLOKOSA-N -1 1 298.346 2.807 20 0 CFADMM O=C([O-])NC1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000834189154 605484495 /nfs/dbraw/zinc/48/44/95/605484495.db2.gz HXNKHDLBPYTQHN-UPHRSURJSA-N -1 1 278.327 2.571 20 0 CFADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2coc(C3CC3)n2)C1 ZINC000833420448 605548830 /nfs/dbraw/zinc/54/88/30/605548830.db2.gz RYNQBUXGBAWJHP-GFCCVEGCSA-N -1 1 292.379 2.875 20 0 CFADMM O=C([O-])NC[C@@H]1CCCN(Cc2cnc(C3CC3)s2)C1 ZINC000834217628 605555849 /nfs/dbraw/zinc/55/58/49/605555849.db2.gz YEVHSEYXPQOYIN-JTQLQIEISA-N -1 1 295.408 2.500 20 0 CFADMM O=C([O-])NC[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000834223836 605571806 /nfs/dbraw/zinc/57/18/06/605571806.db2.gz FFOVKAIKKFEDKA-JTQLQIEISA-N -1 1 286.734 2.569 20 0 CFADMM CC[C@H](C)[C@@H](C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833637355 605627244 /nfs/dbraw/zinc/62/72/44/605627244.db2.gz DGXSJVURQRQNHO-DTWKUNHWSA-N -1 1 289.335 2.882 20 0 CFADMM CCc1ncc(CN(C)CC[C@H](NC(=O)[O-])C(C)C)s1 ZINC000833865748 605671505 /nfs/dbraw/zinc/67/15/05/605671505.db2.gz DNQUPKNAGPZWIG-LBPRGKRZSA-N -1 1 299.440 2.820 20 0 CFADMM O=C([O-])N[C@H]1C[C@@H](NCc2cccnc2)c2ccccc21 ZINC000834157773 605787629 /nfs/dbraw/zinc/78/76/29/605787629.db2.gz JZMYUMGYZMZUQW-CABCVRRESA-N -1 1 283.331 2.625 20 0 CFADMM O=C([O-])N[C@H]1C[C@H](NCc2cccc(O)c2)c2ccccc21 ZINC000834159512 605798529 /nfs/dbraw/zinc/79/85/29/605798529.db2.gz UMNNFXFTEQIWRC-HOTGVXAUSA-N -1 1 298.342 2.936 20 0 CFADMM Cc1cncc(CN[C@H]2C[C@H](NC(=O)[O-])c3ccccc32)c1 ZINC000833913119 605807130 /nfs/dbraw/zinc/80/71/30/605807130.db2.gz YNAGWSNJMJAOPV-HOTGVXAUSA-N -1 1 297.358 2.933 20 0 CFADMM CCc1ncc(CN2CCCCC[C@H]2C(=O)[O-])s1 ZINC000833677607 605930005 /nfs/dbraw/zinc/93/00/05/605930005.db2.gz WMPULGAHUMWTIC-NSHDSACASA-N -1 1 268.382 2.535 20 0 CFADMM CC(C)(C)CCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819914327 606136157 /nfs/dbraw/zinc/13/61/57/606136157.db2.gz QECNVGUCWKZKFP-UHFFFAOYSA-N -1 1 280.353 2.521 20 0 CFADMM CC(C)(C)CCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819914327 606136158 /nfs/dbraw/zinc/13/61/58/606136158.db2.gz QECNVGUCWKZKFP-UHFFFAOYSA-N -1 1 280.353 2.521 20 0 CFADMM CC1(C)CCC[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820589534 606104561 /nfs/dbraw/zinc/10/45/61/606104561.db2.gz HNEIZTUXFODRIX-VIFPVBQESA-N -1 1 292.774 2.906 20 0 CFADMM CC1(C)CCC[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820589534 606104562 /nfs/dbraw/zinc/10/45/62/606104562.db2.gz HNEIZTUXFODRIX-VIFPVBQESA-N -1 1 292.774 2.906 20 0 CFADMM Clc1ccc(NC(C2CC2)C2CC2)nc1-c1nnn[n-]1 ZINC000822578231 606446829 /nfs/dbraw/zinc/44/68/29/606446829.db2.gz FHUDWGBKROBIPX-UHFFFAOYSA-N -1 1 290.758 2.516 20 0 CFADMM Clc1ccc(NC(C2CC2)C2CC2)nc1-c1nn[n-]n1 ZINC000822578231 606446831 /nfs/dbraw/zinc/44/68/31/606446831.db2.gz FHUDWGBKROBIPX-UHFFFAOYSA-N -1 1 290.758 2.516 20 0 CFADMM Clc1nsc(NC(C2CC2)C2CC2)c1-c1nnn[n-]1 ZINC000822591827 606447541 /nfs/dbraw/zinc/44/75/41/606447541.db2.gz XMQOLDJFCSVKOM-UHFFFAOYSA-N -1 1 296.787 2.577 20 0 CFADMM Clc1nsc(NC(C2CC2)C2CC2)c1-c1nn[n-]n1 ZINC000822591827 606447542 /nfs/dbraw/zinc/44/75/42/606447542.db2.gz XMQOLDJFCSVKOM-UHFFFAOYSA-N -1 1 296.787 2.577 20 0 CFADMM C[C@H](c1ccc(F)cc1)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000820562786 606448581 /nfs/dbraw/zinc/44/85/81/606448581.db2.gz IYPPJZMNXAYNSZ-SNVBAGLBSA-N -1 1 298.325 2.598 20 0 CFADMM C[C@H](c1ccc(F)cc1)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000820562786 606448583 /nfs/dbraw/zinc/44/85/83/606448583.db2.gz IYPPJZMNXAYNSZ-SNVBAGLBSA-N -1 1 298.325 2.598 20 0 CFADMM CCC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCC1 ZINC000820962245 606593496 /nfs/dbraw/zinc/59/34/96/606593496.db2.gz LFFPBAJLPRNXQH-UHFFFAOYSA-N -1 1 292.774 2.907 20 0 CFADMM CCC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCC1 ZINC000820962245 606593497 /nfs/dbraw/zinc/59/34/97/606593497.db2.gz LFFPBAJLPRNXQH-UHFFFAOYSA-N -1 1 292.774 2.907 20 0 CFADMM C[C@@H]1C[C@H](C)N(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000820657943 606799209 /nfs/dbraw/zinc/79/92/09/606799209.db2.gz NPPIILXMLNBAJH-MNOVXSKESA-N -1 1 294.362 2.650 20 0 CFADMM C[C@@H]1C[C@H](C)N(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000820657943 606799210 /nfs/dbraw/zinc/79/92/10/606799210.db2.gz NPPIILXMLNBAJH-MNOVXSKESA-N -1 1 294.362 2.650 20 0 CFADMM CC[C@H]1CCC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820978670 606807610 /nfs/dbraw/zinc/80/76/10/606807610.db2.gz CCHBBFQGOPRZKD-BQBZGAKWSA-N -1 1 298.803 2.967 20 0 CFADMM CC[C@H]1CCC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820978670 606807611 /nfs/dbraw/zinc/80/76/11/606807611.db2.gz CCHBBFQGOPRZKD-BQBZGAKWSA-N -1 1 298.803 2.967 20 0 CFADMM Cc1cccc(C)c1CCNc1cccc(-c2nnn[n-]2)n1 ZINC000822293648 607040048 /nfs/dbraw/zinc/04/00/48/607040048.db2.gz FUQXWFUQHDFLGB-UHFFFAOYSA-N -1 1 294.362 2.533 20 0 CFADMM Cc1cccc(C)c1CCNc1cccc(-c2nn[n-]n2)n1 ZINC000822293648 607040050 /nfs/dbraw/zinc/04/00/50/607040050.db2.gz FUQXWFUQHDFLGB-UHFFFAOYSA-N -1 1 294.362 2.533 20 0 CFADMM CCCC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000821035010 607117785 /nfs/dbraw/zinc/11/77/85/607117785.db2.gz YLFVZHJNRUTVTE-UHFFFAOYSA-N -1 1 292.774 2.907 20 0 CFADMM CCCC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000821035010 607117787 /nfs/dbraw/zinc/11/77/87/607117787.db2.gz YLFVZHJNRUTVTE-UHFFFAOYSA-N -1 1 292.774 2.907 20 0 CFADMM C1=CCC(Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000819718482 607118206 /nfs/dbraw/zinc/11/82/06/607118206.db2.gz JEQNDPNPACUEFM-UHFFFAOYSA-N -1 1 278.319 2.545 20 0 CFADMM C1=CCC(Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000819718482 607118208 /nfs/dbraw/zinc/11/82/08/607118208.db2.gz JEQNDPNPACUEFM-UHFFFAOYSA-N -1 1 278.319 2.545 20 0 CFADMM Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)c(C)c1 ZINC000822254412 607129264 /nfs/dbraw/zinc/12/92/64/607129264.db2.gz IYYFBLXDJKRTOR-UHFFFAOYSA-N -1 1 269.308 2.689 20 0 CFADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)c(C)c1 ZINC000822254412 607129265 /nfs/dbraw/zinc/12/92/65/607129265.db2.gz IYYFBLXDJKRTOR-UHFFFAOYSA-N -1 1 269.308 2.689 20 0 CFADMM Cc1ccccc1Sc1cccc(-c2nnn[n-]2)n1 ZINC000095332973 607897132 /nfs/dbraw/zinc/89/71/32/607897132.db2.gz HCHVYCWQNQAUAO-UHFFFAOYSA-N -1 1 269.333 2.721 20 0 CFADMM Cc1ccccc1Sc1cccc(-c2nn[n-]n2)n1 ZINC000095332973 607897133 /nfs/dbraw/zinc/89/71/33/607897133.db2.gz HCHVYCWQNQAUAO-UHFFFAOYSA-N -1 1 269.333 2.721 20 0 CFADMM CC(C)CCC[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824243747 607897150 /nfs/dbraw/zinc/89/71/50/607897150.db2.gz NKBRKLCSNNUKFF-NSHDSACASA-N -1 1 274.372 2.888 20 0 CFADMM CC(C)CCC[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000824243747 607897151 /nfs/dbraw/zinc/89/71/51/607897151.db2.gz NKBRKLCSNNUKFF-NSHDSACASA-N -1 1 274.372 2.888 20 0 CFADMM c1ccc2cc(Oc3ccc(-c4nnn[n-]4)nn3)ccc2c1 ZINC000826524123 607988079 /nfs/dbraw/zinc/98/80/79/607988079.db2.gz KCNVKDBRQOZLER-UHFFFAOYSA-N -1 1 290.286 2.602 20 0 CFADMM c1ccc2cc(Oc3ccc(-c4nn[n-]n4)nn3)ccc2c1 ZINC000826524123 607988080 /nfs/dbraw/zinc/98/80/80/607988080.db2.gz KCNVKDBRQOZLER-UHFFFAOYSA-N -1 1 290.286 2.602 20 0 CFADMM CC[C@@H]1CC[C@@H](C)N1c1snc(Cl)c1-c1nnn[n-]1 ZINC000825191933 608237313 /nfs/dbraw/zinc/23/73/13/608237313.db2.gz DNWMKNPEMHAISS-RNFRBKRXSA-N -1 1 298.803 2.744 20 0 CFADMM CC[C@@H]1CC[C@@H](C)N1c1snc(Cl)c1-c1nn[n-]n1 ZINC000825191933 608237314 /nfs/dbraw/zinc/23/73/14/608237314.db2.gz DNWMKNPEMHAISS-RNFRBKRXSA-N -1 1 298.803 2.744 20 0 CFADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(C)cc1 ZINC000825149305 608389687 /nfs/dbraw/zinc/38/96/87/608389687.db2.gz XEGBBLKDEHXJOK-LBPRGKRZSA-N -1 1 295.350 2.528 20 0 CFADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(C)cc1 ZINC000825149305 608389691 /nfs/dbraw/zinc/38/96/91/608389691.db2.gz XEGBBLKDEHXJOK-LBPRGKRZSA-N -1 1 295.350 2.528 20 0 CFADMM CCCC(CCC)Sc1ccc(-c2nnn[n-]2)nn1 ZINC000825241883 608406525 /nfs/dbraw/zinc/40/65/25/608406525.db2.gz CKDGTTJBHYYHJJ-UHFFFAOYSA-N -1 1 278.385 2.718 20 0 CFADMM CCCC(CCC)Sc1ccc(-c2nn[n-]n2)nn1 ZINC000825241883 608406526 /nfs/dbraw/zinc/40/65/26/608406526.db2.gz CKDGTTJBHYYHJJ-UHFFFAOYSA-N -1 1 278.385 2.718 20 0 CFADMM Cc1c(C)c(C)c(Cn2ccnc2-c2nnn[n-]2)c(C)c1C ZINC000826235581 608894814 /nfs/dbraw/zinc/89/48/14/608894814.db2.gz MMWKCALOLZCPHN-UHFFFAOYSA-N -1 1 296.378 2.654 20 0 CFADMM Cc1c(C)c(C)c(Cn2ccnc2-c2nn[n-]n2)c(C)c1C ZINC000826235581 608894816 /nfs/dbraw/zinc/89/48/16/608894816.db2.gz MMWKCALOLZCPHN-UHFFFAOYSA-N -1 1 296.378 2.654 20 0 CFADMM CC1(C)CN(Cc2ccc(-c3nnn[n-]3)o2)c2ccccc21 ZINC000824808582 609173515 /nfs/dbraw/zinc/17/35/15/609173515.db2.gz VZKJZSPDIRCILZ-UHFFFAOYSA-N -1 1 295.346 2.758 20 0 CFADMM CC1(C)CN(Cc2ccc(-c3nn[n-]n3)o2)c2ccccc21 ZINC000824808582 609173517 /nfs/dbraw/zinc/17/35/17/609173517.db2.gz VZKJZSPDIRCILZ-UHFFFAOYSA-N -1 1 295.346 2.758 20 0 CFADMM c1cc(-c2nn[n-]n2)sc1CNc1nc2ccccc2o1 ZINC000826524556 609265298 /nfs/dbraw/zinc/26/52/98/609265298.db2.gz ZFIZGXSWTABOLE-UHFFFAOYSA-N -1 1 298.331 2.682 20 0 CFADMM CC[C@@H]1c2ccccc2CN1C(=O)c1cncc([O-])c1 ZINC000890611990 617701127 /nfs/dbraw/zinc/70/11/27/617701127.db2.gz DZAOSIKWSVFSQO-OAHLLOKOSA-N -1 1 268.316 2.894 20 0 CFADMM CC[C@H]1CCC[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900804599 620716328 /nfs/dbraw/zinc/71/63/28/620716328.db2.gz FKQUEXOOUWWDIR-JQWIXIFHSA-N -1 1 289.379 2.758 20 0 CFADMM C[C@H]1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)[C@H]1C ZINC000900947284 620730935 /nfs/dbraw/zinc/73/09/35/620730935.db2.gz SFYBMHNEUMQJHR-UWVGGRQHSA-N -1 1 288.322 2.950 20 0 CFADMM Cc1cccc2c1N(C(=O)c1cnc(C3CC3)[n-]c1=O)CC2 ZINC000900949706 620731562 /nfs/dbraw/zinc/73/15/62/620731562.db2.gz QIUKYXFJHSYWQU-UHFFFAOYSA-N -1 1 295.342 2.571 20 0 CFADMM COCc1nc(N2CCC[C@@H]2c2cccs2)cc(=O)[n-]1 ZINC000891514284 617645822 /nfs/dbraw/zinc/64/58/22/617645822.db2.gz UQTGXNRSRJZWHY-SNVBAGLBSA-N -1 1 291.376 2.732 20 0 CFADMM C[C@@]1(C2CC2)COCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000890580259 617672398 /nfs/dbraw/zinc/67/23/98/617672398.db2.gz BSVMRYJYEWIGTF-HNNXBMFYSA-N -1 1 295.766 2.687 20 0 CFADMM Cc1cc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c(C)o1 ZINC000891629846 617690863 /nfs/dbraw/zinc/69/08/63/617690863.db2.gz DNYUWWDOCNPEKX-UHFFFAOYSA-N -1 1 287.319 2.523 20 0 CFADMM CC(C)C1CN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000901191543 620762239 /nfs/dbraw/zinc/76/22/39/620762239.db2.gz WUXHFAREVSDIHT-UHFFFAOYSA-N -1 1 288.322 2.808 20 0 CFADMM CCn1c(CCNC(=O)C[C@H](C)CC(C)C)n[n-]c1=S ZINC000067076503 618022277 /nfs/dbraw/zinc/02/22/77/618022277.db2.gz UURHHWVIEWWZKE-LLVKDONJSA-N -1 1 298.456 2.692 20 0 CFADMM COc1ccc(C(=O)N(C)c2ccc(C)cc2)c([O-])c1 ZINC000050009640 618059062 /nfs/dbraw/zinc/05/90/62/618059062.db2.gz OOCMHCDFFVXEJX-UHFFFAOYSA-N -1 1 271.316 2.986 20 0 CFADMM CO[C@@H]1CC[C@H]1N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000889358400 618169378 /nfs/dbraw/zinc/16/93/78/618169378.db2.gz IAQVWOGFFUJKGY-HUUCEWRRSA-N -1 1 285.343 2.795 20 0 CFADMM CC(C)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2[O-])CCO1 ZINC000935101001 618183290 /nfs/dbraw/zinc/18/32/90/618183290.db2.gz RXUYKQMNPPJUEX-IINYFYTJSA-N -1 1 281.327 2.921 20 0 CFADMM CC(C)[C@@H]1CCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000901332050 620787198 /nfs/dbraw/zinc/78/71/98/620787198.db2.gz UCZNXFDQXUJQRG-LBPRGKRZSA-N -1 1 288.322 2.950 20 0 CFADMM C[C@H](C[N-]C(=O)C(F)(F)C(F)F)Oc1ccc(F)cc1 ZINC000176932436 618230104 /nfs/dbraw/zinc/23/01/04/618230104.db2.gz JNPFBFGDBIUNDG-SSDOTTSWSA-N -1 1 297.223 2.610 20 0 CFADMM O=C(c1c([O-])cnc2c(F)cccc21)N1CCC(F)(F)C1 ZINC000901337457 620788452 /nfs/dbraw/zinc/78/84/52/620788452.db2.gz WBDNXTFVOSXXBD-UHFFFAOYSA-N -1 1 296.248 2.561 20 0 CFADMM CCC(C)(C)C(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067072924 618275661 /nfs/dbraw/zinc/27/56/61/618275661.db2.gz RHZDYIVSCMGZRY-UHFFFAOYSA-N -1 1 284.429 2.616 20 0 CFADMM CC(C)c1nnc(COC(=O)c2c([O-])cc(F)cc2F)o1 ZINC000727001419 618285740 /nfs/dbraw/zinc/28/57/40/618285740.db2.gz CXIJJOOVELLEGJ-UHFFFAOYSA-N -1 1 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/nfs/dbraw/zinc/10/34/63/621103463.db2.gz AINXYKBCNYIBTC-CABCVRRESA-N -1 1 287.315 2.598 20 0 CFADMM CC[C@@H]1Cc2ccccc2CN1Cc1cc(C(=O)[O-])no1 ZINC000902532398 621119345 /nfs/dbraw/zinc/11/93/45/621119345.db2.gz NIOVNQPGZYNKOC-CYBMUJFWSA-N -1 1 286.331 2.710 20 0 CFADMM O=C([O-])c1ccc(CN2CCC[C@@H]3COC[C@@H]32)cc1Cl ZINC000902553346 621120357 /nfs/dbraw/zinc/12/03/57/621120357.db2.gz KPQSSOPFOXHIJQ-RISCZKNCSA-N -1 1 295.766 2.649 20 0 CFADMM O=C([O-])[C@@H]1[C@@H]2CC[N@@H+](C/C=C\c3ccc(F)cc3F)C[C@@H]21 ZINC000902555663 621121159 /nfs/dbraw/zinc/12/11/59/621121159.db2.gz XOCKLWICEDEFJG-MOQRXICMSA-N -1 1 293.313 2.631 20 0 CFADMM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c(C)o1 ZINC000903710292 621419031 /nfs/dbraw/zinc/41/90/31/621419031.db2.gz OPKJXIYFZAKQCC-CQSZACIVSA-N -1 1 277.295 2.951 20 0 CFADMM O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000903698452 621420703 /nfs/dbraw/zinc/42/07/03/621420703.db2.gz VCNXYJQAEQUCKJ-LBPRGKRZSA-N -1 1 281.327 2.751 20 0 CFADMM O=C([O-])C1CCC(N[C@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000903703477 621422166 /nfs/dbraw/zinc/42/21/66/621422166.db2.gz DAZABCYNSMVSEJ-DIQYOTHFSA-N -1 1 293.338 2.691 20 0 CFADMM CC(C)[N@@H+](CCC(=O)[O-])Cc1coc(C(C)(C)C)n1 ZINC000903900842 621467785 /nfs/dbraw/zinc/46/77/85/621467785.db2.gz TYLLFZMNINPHNB-UHFFFAOYSA-N -1 1 268.357 2.657 20 0 CFADMM CC(C)N(CCC(=O)[O-])Cc1coc(C(C)(C)C)n1 ZINC000903900842 621467787 /nfs/dbraw/zinc/46/77/87/621467787.db2.gz TYLLFZMNINPHNB-UHFFFAOYSA-N -1 1 268.357 2.657 20 0 CFADMM CCc1onc(C)c1CN(CC(=O)[O-])C1CCCCC1 ZINC000903901697 621468197 /nfs/dbraw/zinc/46/81/97/621468197.db2.gz NVCZAPHAOZHKDQ-UHFFFAOYSA-N -1 1 280.368 2.765 20 0 CFADMM O=C([O-])[C@@H]1C[C@H]1CN1CCc2c(cccc2C(F)(F)F)C1 ZINC000903911427 621471392 /nfs/dbraw/zinc/47/13/92/621471392.db2.gz GCQXROQZQBRDPR-CMPLNLGQSA-N -1 1 299.292 2.784 20 0 CFADMM CC(C)C1CCC(CNCC(F)(F)C(=O)[O-])CC1 ZINC000904032301 621508468 /nfs/dbraw/zinc/50/84/68/621508468.db2.gz MYGLGCCINFQSEF-UHFFFAOYSA-N -1 1 263.328 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HJGWUGRYGQOFPW-VIFPVBQESA-N -1 1 299.651 2.871 20 0 CFADMM Cc1cc(C)c(/C=C/CNC[C@H](F)C(=O)[O-])cc1C ZINC000904044077 621510892 /nfs/dbraw/zinc/51/08/92/621510892.db2.gz YPIKKFRINYKFLH-NNTXTVRGSA-N -1 1 265.328 2.637 20 0 CFADMM Cc1ncccc1CN[C@H](CC(=O)[O-])c1ccccc1F ZINC000904045088 621511321 /nfs/dbraw/zinc/51/13/21/621511321.db2.gz GLPAWNZUPVWMKT-OAHLLOKOSA-N -1 1 288.322 2.835 20 0 CFADMM Cc1cccc([C@@H](CC(=O)[O-])NCc2cncs2)c1 ZINC000904044519 621511359 /nfs/dbraw/zinc/51/13/59/621511359.db2.gz BTMPZGXTQGWYLY-CYBMUJFWSA-N -1 1 276.361 2.757 20 0 CFADMM Cc1cccc([C@@H](CC(=O)[O-])NCc2ccoc2)c1 ZINC000904045106 621511403 /nfs/dbraw/zinc/51/14/03/621511403.db2.gz GVALAVKODMCLRK-CQSZACIVSA-N -1 1 259.305 2.894 20 0 CFADMM CCc1ccc(CN[C@H](CC)c2nc(C(=O)[O-])c[nH]2)s1 ZINC000904066099 621514793 /nfs/dbraw/zinc/51/47/93/621514793.db2.gz XKSVYRZQQSWWBP-LLVKDONJSA-N -1 1 293.392 2.973 20 0 CFADMM CCc1ccc(CN[C@@H](COCC(C)C)C(=O)[O-])s1 ZINC000904067031 621515063 /nfs/dbraw/zinc/51/50/63/621515063.db2.gz MIPMXBXEBDLNME-ZDUSSCGKSA-N -1 1 285.409 2.526 20 0 CFADMM Cc1ccc(CN2CCC(C)(C(=O)[O-])CC2)nc1Cl ZINC000873642068 621561771 /nfs/dbraw/zinc/56/17/71/621561771.db2.gz LQKBXEMYZKMFEX-UHFFFAOYSA-N -1 1 282.771 2.730 20 0 CFADMM Cc1cccc(CC2CN(Cc3ccc(C(=O)[O-])cn3)C2)c1 ZINC000905727116 621835892 /nfs/dbraw/zinc/83/58/92/621835892.db2.gz DHMDDDMLQLFIRU-UHFFFAOYSA-N -1 1 296.370 2.763 20 0 CFADMM O=C([O-])C1(C(F)(F)F)CCN(Cc2ccsc2)CC1 ZINC000905737165 621840215 /nfs/dbraw/zinc/84/02/15/621840215.db2.gz GWBXTBXQRCMXPH-UHFFFAOYSA-N -1 1 293.310 2.977 20 0 CFADMM CC(C)(C)c1nsc([N-]C(=O)c2nccnc2Cl)n1 ZINC000906545110 622002790 /nfs/dbraw/zinc/00/27/90/622002790.db2.gz UOGIAFWLQQFENY-UHFFFAOYSA-N -1 1 297.771 2.531 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCO[C@H]1C1CC1 ZINC000907097208 622083125 /nfs/dbraw/zinc/08/31/25/622083125.db2.gz OMSMRRCOGCCARB-MFKMUULPSA-N -1 1 281.739 2.799 20 0 CFADMM C[C@@H]1CC[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1C 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COC(C)(C)C(=O)Nc1cccc([O-])c1Br ZINC000908712186 622267730 /nfs/dbraw/zinc/26/77/30/622267730.db2.gz BUJRIOBCKMYJCK-UHFFFAOYSA-N -1 1 288.141 2.518 20 0 CFADMM CCOCCC(=O)Nc1cccc([O-])c1Br ZINC000908716307 622268137 /nfs/dbraw/zinc/26/81/37/622268137.db2.gz JINGQCTXNNEEQW-UHFFFAOYSA-N -1 1 288.141 2.520 20 0 CFADMM Cc1nnsc1[C@H](C)OC(=O)c1ccc([O-])cc1F ZINC000909135625 622320348 /nfs/dbraw/zinc/32/03/48/622320348.db2.gz MUZFTCXWXMCECV-ZETCQYMHSA-N -1 1 282.296 2.609 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CC1(Cl)Cl ZINC000909975814 622378814 /nfs/dbraw/zinc/37/88/14/622378814.db2.gz VLPVGCPWRKUNLU-SCSAIBSYSA-N -1 1 282.073 2.803 20 0 CFADMM CCO[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)C(C)C ZINC000909972937 622378184 /nfs/dbraw/zinc/37/81/84/622378184.db2.gz RZUONQZPEMUIIU-GFCCVEGCSA-N -1 1 273.279 2.670 20 0 CFADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909973350 622378293 /nfs/dbraw/zinc/37/82/93/622378293.db2.gz XIIWFTBWAYGLLM-XGEHTFHBSA-N -1 1 267.275 2.901 20 0 CFADMM O=C(CC[C@H]1CCCO1)Nc1cc([O-])c(F)cc1F ZINC000909974125 622378446 /nfs/dbraw/zinc/37/84/46/622378446.db2.gz HGBMMHMSFAHYAR-MRVPVSSYSA-N -1 1 271.263 2.568 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1C[C@H]1C1CCOCC1 ZINC000909973427 622378612 /nfs/dbraw/zinc/37/86/12/622378612.db2.gz ZQJDOYFXWLIJJL-VHSXEESVSA-N -1 1 297.301 2.672 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCCCS1 ZINC000909985901 622379679 /nfs/dbraw/zinc/37/96/79/622379679.db2.gz SGBOTNKFPXTMPH-NSHDSACASA-N -1 1 273.304 2.895 20 0 CFADMM CS[C@@H](C)CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909984152 622379868 /nfs/dbraw/zinc/37/98/68/622379868.db2.gz JIMJPEIKNSORIT-LURJTMIESA-N -1 1 261.293 2.751 20 0 CFADMM CC[C@H]1OCCC[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909986136 622380290 /nfs/dbraw/zinc/38/02/90/622380290.db2.gz ANAQSGYBPHSIJW-AMIZOPFISA-N -1 1 285.290 2.814 20 0 CFADMM O=C(C[C@H]1CCCCO1)Nc1cc([O-])c(F)cc1F ZINC000909982052 622381258 /nfs/dbraw/zinc/38/12/58/622381258.db2.gz CUHWDVRLEQZOFC-MRVPVSSYSA-N -1 1 271.263 2.568 20 0 CFADMM CCCCC[C@@H](O)CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909980889 622381314 /nfs/dbraw/zinc/38/13/14/622381314.db2.gz HYASYYDOCFYCEO-SECBINFHSA-N -1 1 287.306 2.940 20 0 CFADMM CC[C@@H]1CC[C@@H](C(=O)Nc2cc([O-])c(F)cc2F)O1 ZINC000909983168 622381570 /nfs/dbraw/zinc/38/15/70/622381570.db2.gz RGORWTFZBLYJPG-KRTXAFLBSA-N -1 1 271.263 2.567 20 0 CFADMM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988640 622382243 /nfs/dbraw/zinc/38/22/43/622382243.db2.gz UJAHQRYUEHLTLB-JMCQJSRRSA-N -1 1 285.290 2.813 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)[C@H]2CCC=CCCC2)[n-]1 ZINC000909992066 622383880 /nfs/dbraw/zinc/38/38/80/622383880.db2.gz PQUYFCRZXNSGSP-NSHDSACASA-N -1 1 291.351 2.661 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2CCC=CCCC2)n1 ZINC000909992066 622383885 /nfs/dbraw/zinc/38/38/85/622383885.db2.gz PQUYFCRZXNSGSP-NSHDSACASA-N -1 1 291.351 2.661 20 0 CFADMM Cc1cccc(NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])n1 ZINC000910415575 622441916 /nfs/dbraw/zinc/44/19/16/622441916.db2.gz 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/nfs/dbraw/zinc/49/65/17/622496517.db2.gz TZLQTPNXBKEGOX-UHFFFAOYSA-N -1 1 275.320 2.998 20 0 CFADMM CC(=O)[C@@H]1C[C@H](C(=O)Nc2cc(F)cc(F)c2[O-])C1(C)C ZINC000910991427 622496638 /nfs/dbraw/zinc/49/66/38/622496638.db2.gz LEBBTRYWLMWNBW-VHSXEESVSA-N -1 1 297.301 2.860 20 0 CFADMM CC[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccn1 ZINC000911137252 622507346 /nfs/dbraw/zinc/50/73/46/622507346.db2.gz LHHROSNMHHCVMZ-SSDOTTSWSA-N -1 1 264.222 2.549 20 0 CFADMM CC[C@H](C(=O)[O-])C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000911557005 622526868 /nfs/dbraw/zinc/52/68/68/622526868.db2.gz BSPAUPWPTFECPY-ZETCQYMHSA-N -1 1 297.261 2.550 20 0 CFADMM CCCO[N-]C(=O)Cc1sc(C2CCC2)nc1C ZINC000911552941 622527072 /nfs/dbraw/zinc/52/70/72/622527072.db2.gz QGZPCKMPPUJZEY-UHFFFAOYSA-N -1 1 268.382 2.719 20 0 CFADMM CC[C@@](C)(CNC(=O)c1c([O-])cccc1Cl)OC ZINC000833799722 625578483 /nfs/dbraw/zinc/57/84/83/625578483.db2.gz MWMZNUMBWVBHJX-ZDUSSCGKSA-N -1 1 271.744 2.591 20 0 CFADMM O=C(c1ncccc1[O-])N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000912042144 622616648 /nfs/dbraw/zinc/61/66/48/622616648.db2.gz PGQRIVFITFZKJE-OAHLLOKOSA-N -1 1 295.342 2.550 20 0 CFADMM CC[C@H](C)CO[N-]C(=O)[C@@H](C)c1cccc(O)c1 ZINC000820280053 622641274 /nfs/dbraw/zinc/64/12/74/622641274.db2.gz XCYPSBDBRMFQFN-QWRGUYRKSA-N -1 1 251.326 2.590 20 0 CFADMM CC(=Cc1ccc(F)cc1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000820402763 622664139 /nfs/dbraw/zinc/66/41/39/622664139.db2.gz NOJHKUUVINVLET-BQYQJAHWSA-N -1 1 275.283 2.605 20 0 CFADMM O=C([N-]Oc1ccc(F)cc1)[C@@H]1CCOC2(CCCC2)C1 ZINC000912256663 622666590 /nfs/dbraw/zinc/66/65/90/622666590.db2.gz CHDHDVKPHKTFQR-GFCCVEGCSA-N -1 1 293.338 2.975 20 0 CFADMM Cc1cc(C)c(CC(=O)[N-]OCC2CCC2)s1 ZINC000912724306 622768968 /nfs/dbraw/zinc/76/89/68/622768968.db2.gz CYQRNLIFRVOKEV-UHFFFAOYSA-N -1 1 253.367 2.755 20 0 CFADMM CC12CC(C1)CN2C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000912769980 622774460 /nfs/dbraw/zinc/77/44/60/622774460.db2.gz LFGOYXRGUWRQQC-UHFFFAOYSA-N -1 1 286.306 2.704 20 0 CFADMM COc1cccc(S([O-])=CC(=O)OCCC2(C)CC2)c1 ZINC000820865235 622777099 /nfs/dbraw/zinc/77/70/99/622777099.db2.gz PXJTXFYGFSJYEE-FQEVSTJZSA-N -1 1 296.388 2.536 20 0 CFADMM Cc1ncoc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000820932861 622796662 /nfs/dbraw/zinc/79/66/62/622796662.db2.gz QJWHIWHRAKYWBH-UHFFFAOYSA-N -1 1 261.212 2.545 20 0 CFADMM O=C(C[C@@H]1C[C@H]1C1CC1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000913269000 622869292 /nfs/dbraw/zinc/86/92/92/622869292.db2.gz SYJQXMOQZZEKAO-WFASDCNBSA-N -1 1 297.358 2.953 20 0 CFADMM O=C1c2ccc([O-])cc2O/C1=C/c1cccc2c1OCCO2 ZINC000054802834 622921802 /nfs/dbraw/zinc/92/18/02/622921802.db2.gz OPJLXZXYGHSHSY-OVCLIPMQSA-N -1 1 296.278 2.780 20 0 CFADMM CCc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821496839 622933556 /nfs/dbraw/zinc/93/35/56/622933556.db2.gz KAMQUUQHPVPVJH-UHFFFAOYSA-N -1 1 299.359 2.743 20 0 CFADMM CCc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821496839 622933559 /nfs/dbraw/zinc/93/35/59/622933559.db2.gz KAMQUUQHPVPVJH-UHFFFAOYSA-N -1 1 299.359 2.743 20 0 CFADMM CCC[C@@H](OC)c1noc(-c2ccc(N)cc2[O-])n1 ZINC000227315245 623106343 /nfs/dbraw/zinc/10/63/43/623106343.db2.gz TVZHKPFAAZWNCE-LLVKDONJSA-N -1 1 263.297 2.512 20 0 CFADMM C[C@H](NCc1cc(C(=O)[O-])co1)c1ccsc1 ZINC000228171767 623134206 /nfs/dbraw/zinc/13/42/06/623134206.db2.gz GVWTUMYDIAPLBS-QMMMGPOBSA-N -1 1 251.307 2.890 20 0 CFADMM CCCOC(=O)c1ccc(Br)c([O-])c1 ZINC000228314651 623139927 /nfs/dbraw/zinc/13/99/27/623139927.db2.gz AMOIVRHRJOTQAV-UHFFFAOYSA-N -1 1 259.099 2.722 20 0 CFADMM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)Nc1cc(F)cc(F)c1[O-] ZINC000822971264 623212382 /nfs/dbraw/zinc/21/23/82/623212382.db2.gz BJSMWHQWLQIUPU-GWCFXTLKSA-N -1 1 297.301 2.957 20 0 CFADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCCC(C)C ZINC000062294455 623257604 /nfs/dbraw/zinc/25/76/04/623257604.db2.gz WWPWLJYWUWDQPA-UHFFFAOYSA-N -1 1 299.392 2.651 20 0 CFADMM O=C([N-]O[C@H]1CCCCO1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000825027287 623610675 /nfs/dbraw/zinc/61/06/75/623610675.db2.gz WMHGBFJFWARDLT-MXWKQRLJSA-N -1 1 295.301 2.930 20 0 CFADMM CC(C)[C@H](C)NC(=O)NCCc1c(F)cc([O-])cc1F ZINC000913860381 623625179 /nfs/dbraw/zinc/62/51/79/623625179.db2.gz KSZLQHJXXPLJIH-VIFPVBQESA-N -1 1 286.322 2.557 20 0 CFADMM O=C(OCc1ccccc1)c1nn(-c2ccccc2)cc1[O-] ZINC000825277277 623663320 /nfs/dbraw/zinc/66/33/20/623663320.db2.gz YOZUEIHIUJUCTC-UHFFFAOYSA-N -1 1 294.310 2.935 20 0 CFADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)nc2)cc1 ZINC000152827491 623780794 /nfs/dbraw/zinc/78/07/94/623780794.db2.gz VEPFFUMFVQVASO-UHFFFAOYSA-N -1 1 280.324 2.584 20 0 CFADMM O=C(NC[C@@H]1CC1(Cl)Cl)c1cc(Cl)ccc1[O-] ZINC000031939205 623836998 /nfs/dbraw/zinc/83/69/98/623836998.db2.gz BOBPFRRCANXLCY-LURJTMIESA-N -1 1 294.565 2.969 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H]2CSC[C@H]2C1 ZINC000827182585 623960895 /nfs/dbraw/zinc/96/08/95/623960895.db2.gz WQQAGGBVPAIKOS-NXEZZACHSA-N -1 1 297.807 2.871 20 0 CFADMM CCCc1cc(=O)[n-]c(SCC(=O)C2(Cl)CC2)n1 ZINC000915652159 624089748 /nfs/dbraw/zinc/08/97/48/624089748.db2.gz AXSKVNUHBQAGLG-UHFFFAOYSA-N -1 1 286.784 2.567 20 0 CFADMM C[C@H](C(=O)[N-]OCCCC(F)(F)F)c1cccc(O)c1 ZINC000828337013 624230750 /nfs/dbraw/zinc/23/07/50/624230750.db2.gz ZLXMMCAOSSJPIV-VIFPVBQESA-N -1 1 291.269 2.886 20 0 CFADMM COC(=O)C[C@@H](C)SC[C@@H](C)C(=O)c1ccc([O-])cc1 ZINC000917062273 624304586 /nfs/dbraw/zinc/30/45/86/624304586.db2.gz VSFOXGJHZJJCHS-GHMZBOCLSA-N -1 1 296.388 2.896 20 0 CFADMM O=c1cc(C(F)F)nc(SC[C@H]2C[C@]23CCOC3)[n-]1 ZINC000917747982 624381531 /nfs/dbraw/zinc/38/15/31/624381531.db2.gz ZLDPKHBFQSXBPT-KRTXAFLBSA-N -1 1 288.319 2.639 20 0 CFADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)C1(Cl)CC1 ZINC000917747605 624381552 /nfs/dbraw/zinc/38/15/52/624381552.db2.gz VJWLOQMBCOHLHT-UHFFFAOYSA-N -1 1 294.710 2.552 20 0 CFADMM Cc1cnc(SCCOC2CCCCC2)[n-]c1=O ZINC000917777241 624383053 /nfs/dbraw/zinc/38/30/53/624383053.db2.gz AVFMNNGAVGQXLY-UHFFFAOYSA-N -1 1 268.382 2.932 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCC(F)(C2CC2)CC1 ZINC000834570118 625717459 /nfs/dbraw/zinc/71/74/59/625717459.db2.gz FFBXCSULIZZHFC-UHFFFAOYSA-N -1 1 281.302 2.886 20 0 CFADMM O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1c([O-])cccc1Cl ZINC000830230733 624680353 /nfs/dbraw/zinc/68/03/53/624680353.db2.gz IAVZTAUNUQWNRT-CMPLNLGQSA-N -1 1 295.766 2.591 20 0 CFADMM Cc1cc(C([O-])=C[S@](=O)c2ccc(F)cc2)c(C)n1C ZINC000609362355 624915633 /nfs/dbraw/zinc/91/56/33/624915633.db2.gz BLPHHXHGHXFQBE-FQEVSTJZSA-N -1 1 293.363 2.772 20 0 CFADMM O=C(NC[C@@H]1C[C@H]1C(F)(F)F)c1c([O-])cccc1Cl ZINC000831371903 625002054 /nfs/dbraw/zinc/00/20/54/625002054.db2.gz FCJRKHPWTVHDNY-NKWVEPMBSA-N -1 1 293.672 2.974 20 0 CFADMM CCC[C@H]([N-]S(=O)(=O)c1c[nH]nc1Cl)C(C)(C)C ZINC000832086237 625220321 /nfs/dbraw/zinc/22/03/21/625220321.db2.gz XJRXUZXMRFYJDV-VIFPVBQESA-N -1 1 293.820 2.556 20 0 CFADMM C[C@H]1C[C@@H](NC(=O)c2ccc([O-])c(F)c2)CCS1 ZINC000834654881 625760014 /nfs/dbraw/zinc/76/00/14/625760014.db2.gz NWJPLFPKNKGWHS-WPRPVWTQSA-N -1 1 269.341 2.545 20 0 CFADMM CC(Cl)(Cl)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834827116 625888235 /nfs/dbraw/zinc/88/82/35/625888235.db2.gz XMEOMTZCDJDDBA-UHFFFAOYSA-N -1 1 282.554 2.856 20 0 CFADMM CC(C)([N-]C(=O)C(F)(F)C1CCOCC1)C(F)(F)F ZINC000839384504 626534904 /nfs/dbraw/zinc/53/49/04/626534904.db2.gz LVDSNHOKELILJB-UHFFFAOYSA-N -1 1 289.244 2.505 20 0 CFADMM CC1([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)CCC1 ZINC000867013734 626539653 /nfs/dbraw/zinc/53/96/53/626539653.db2.gz QBAKMMGVDATELO-UHFFFAOYSA-N -1 1 295.191 2.609 20 0 CFADMM O=C(NCC1(CCO)CCCC1)c1c([O-])cccc1Cl ZINC000761596975 626849331 /nfs/dbraw/zinc/84/93/31/626849331.db2.gz YVLJHCYKKSDBNB-UHFFFAOYSA-N -1 1 297.782 2.718 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)C1CCCC1 ZINC000765048935 627115681 /nfs/dbraw/zinc/11/56/81/627115681.db2.gz SKMDGKGZIBUPAL-SNVBAGLBSA-N -1 1 291.395 2.923 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H](C2CC2)C1 ZINC000765421923 627136757 /nfs/dbraw/zinc/13/67/57/627136757.db2.gz SUEQPDOIBYQOJN-JTQLQIEISA-N -1 1 265.740 2.918 20 0 CFADMM Cc1cccc([C@@H](C)C(=O)[N-]OCC(F)(F)F)c1 ZINC000766767878 627219966 /nfs/dbraw/zinc/21/99/66/627219966.db2.gz GZQRSINJDSIXFA-SECBINFHSA-N -1 1 261.243 2.709 20 0 CFADMM Cc1nc(CCOC(=O)c2c([O-])cc(F)cc2F)cs1 ZINC000767616018 627265523 /nfs/dbraw/zinc/26/55/23/627265523.db2.gz BKRBGXKPOHBSDF-UHFFFAOYSA-N -1 1 299.298 2.835 20 0 CFADMM C[C@H](O)c1ccc(CNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000768224522 627327330 /nfs/dbraw/zinc/32/73/30/627327330.db2.gz QLELZJGTXCMICW-JTQLQIEISA-N -1 1 289.306 2.515 20 0 CFADMM Cc1[nH]c(=S)sc1CC(=O)Nc1ccc(F)cc1[O-] ZINC000768255147 627328690 /nfs/dbraw/zinc/32/86/90/627328690.db2.gz JTUSGEOFKNOLIO-UHFFFAOYSA-N -1 1 298.364 2.766 20 0 CFADMM C[C@H]1CCC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769778841 627473068 /nfs/dbraw/zinc/47/30/68/627473068.db2.gz OUOGEIGJDGBRLM-WCBMZHEXSA-N -1 1 253.729 2.964 20 0 CFADMM CC[C@H]1CO[C@H](C)CN1C(=O)c1c([O-])cccc1Cl ZINC000769913171 627486765 /nfs/dbraw/zinc/48/67/65/627486765.db2.gz CXOQAXLAAMFIPO-ZJUUUORDSA-N -1 1 283.755 2.685 20 0 CFADMM CC(C)(C)C[C@H](CO)NC(=O)c1c([O-])cccc1Cl ZINC000770803519 627549088 /nfs/dbraw/zinc/54/90/88/627549088.db2.gz BFQOFUOVWMDPOF-SECBINFHSA-N -1 1 285.771 2.573 20 0 CFADMM CC[C@]1(C)COCCN1C(=O)c1c([O-])cccc1Cl ZINC000771375661 627599100 /nfs/dbraw/zinc/59/91/00/627599100.db2.gz SGOGABCYZXARMR-CQSZACIVSA-N -1 1 283.755 2.687 20 0 CFADMM Cc1ncc(CCNC(=O)c2c([O-])cccc2Cl)s1 ZINC000772537151 627719996 /nfs/dbraw/zinc/71/99/96/627719996.db2.gz ZFTSCEVWGTWCIN-UHFFFAOYSA-N -1 1 296.779 2.783 20 0 CFADMM CCOCCO[N-]C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000772696286 627736672 /nfs/dbraw/zinc/73/66/72/627736672.db2.gz APMUFEQDLTWXIL-SNVBAGLBSA-N -1 1 271.744 2.528 20 0 CFADMM O=C([N-]c1cccc2nonc21)c1cc(-c2ccco2)on1 ZINC000773382453 627811721 /nfs/dbraw/zinc/81/17/21/627811721.db2.gz GTADBCPEHFXSRR-UHFFFAOYSA-N -1 1 296.242 2.723 20 0 CFADMM CC(C)n1ccc(COC(=O)c2ccc([O-])cc2F)n1 ZINC000773567781 627838369 /nfs/dbraw/zinc/83/83/69/627838369.db2.gz NUCVVOXBMONSSD-UHFFFAOYSA-N -1 1 278.283 2.666 20 0 CFADMM CCOC(=O)CCCCCOC(=O)c1ccc([O-])cc1F ZINC000773572200 627838480 /nfs/dbraw/zinc/83/84/80/627838480.db2.gz VBCJQQLJRZGYOL-UHFFFAOYSA-N -1 1 298.310 2.812 20 0 CFADMM CCc1ccccc1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773753056 627854557 /nfs/dbraw/zinc/85/45/57/627854557.db2.gz SWBAFYGPQSNHDD-UHFFFAOYSA-N -1 1 298.371 2.833 20 0 CFADMM O=C([N-]n1ccccc1=O)c1cc(Cl)ccc1Cl ZINC000777783044 628251935 /nfs/dbraw/zinc/25/19/35/628251935.db2.gz CENZOICSBJYEJU-UHFFFAOYSA-N -1 1 283.114 2.539 20 0 CFADMM O=C(N[C@@H](CO)c1ccccc1)c1c([O-])cccc1Cl ZINC000778340647 628298189 /nfs/dbraw/zinc/29/81/89/628298189.db2.gz SJQVQJNVNPYVRX-LBPRGKRZSA-N -1 1 291.734 2.509 20 0 CFADMM C[C@@H](OC(=O)c1cn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000805607762 628307559 /nfs/dbraw/zinc/30/75/59/628307559.db2.gz PNOWTUANGFZURY-ZCFIWIBFSA-N -1 1 269.663 2.515 20 0 CFADMM CC(C)CCn1nccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000779470199 628385022 /nfs/dbraw/zinc/38/50/22/628385022.db2.gz XNWQORZMPSJAJF-ZDUSSCGKSA-N -1 1 296.371 2.509 20 0 CFADMM C[C@@](CO)(NC(=O)c1ccc([O-])c(F)c1)C1CCCCC1 ZINC000781026190 628513958 /nfs/dbraw/zinc/51/39/58/628513958.db2.gz OMQJXSXKFQUDRX-INIZCTEOSA-N -1 1 295.354 2.592 20 0 CFADMM O=C([N-]c1nnc(C2CC2)s1)c1csc(Cl)n1 ZINC000781895292 628589933 /nfs/dbraw/zinc/58/99/33/628589933.db2.gz MWOSUTXEQXIIET-UHFFFAOYSA-N -1 1 286.769 2.778 20 0 CFADMM CCc1ccc(C(=O)N2CCc3ncccc32)c([O-])c1 ZINC000787134051 628995611 /nfs/dbraw/zinc/99/56/11/628995611.db2.gz WTOPONFYDILQIC-UHFFFAOYSA-N -1 1 268.316 2.553 20 0 CFADMM COc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1F ZINC000789930476 629197822 /nfs/dbraw/zinc/19/78/22/629197822.db2.gz QMZRIZVRNDGFAL-UHFFFAOYSA-N -1 1 296.685 2.841 20 0 CFADMM C[C@H]1CCC[C@@H](OCC(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000789930503 629197985 /nfs/dbraw/zinc/19/79/85/629197985.db2.gz SSGWYVJTJITNOV-VHSXEESVSA-N -1 1 298.770 2.974 20 0 CFADMM Cc1ccc(CC(=O)Nc2nc(Cl)ccc2[O-])cc1O ZINC000790063816 629207480 /nfs/dbraw/zinc/20/74/80/629207480.db2.gz VOTFURJYUUKFGC-UHFFFAOYSA-N -1 1 292.722 2.636 20 0 CFADMM C[C@H](C(=O)[N-]OCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000794212337 629622472 /nfs/dbraw/zinc/62/24/72/629622472.db2.gz PISXDUGMUUCOIC-LBPRGKRZSA-N -1 1 299.326 2.767 20 0 CFADMM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1ncc(C)cc1[O-] ZINC000794322501 629636396 /nfs/dbraw/zinc/63/63/96/629636396.db2.gz VCLSHMMSADUHSZ-DGCLKSJQSA-N -1 1 292.379 2.926 20 0 CFADMM CCc1cc(=O)[n-]c(SCC[C@@H](O)c2ccccc2)n1 ZINC000795228515 629748715 /nfs/dbraw/zinc/74/87/15/629748715.db2.gz KIFWRFPRKNVXOE-CYBMUJFWSA-N -1 1 290.388 2.960 20 0 CFADMM COC(=O)c1ccc(C(=O)OC[C@H]2CCc3ccccc32)[n-]1 ZINC000796351679 629907816 /nfs/dbraw/zinc/90/78/16/629907816.db2.gz SLGHSRZOKWYIFC-GFCCVEGCSA-N -1 1 299.326 2.688 20 0 CFADMM COC(=O)c1ccc(C(=O)OCc2cc(C)ccc2C)[n-]1 ZINC000796360838 629908394 /nfs/dbraw/zinc/90/83/94/629908394.db2.gz GLXMJGJCYYYBSW-UHFFFAOYSA-N -1 1 287.315 2.775 20 0 CFADMM COCCO[N-]C(=O)[C@H](C)c1cccc(CC(C)C)c1 ZINC000796964968 629996766 /nfs/dbraw/zinc/99/67/66/629996766.db2.gz LENKQDCMLDAULT-CYBMUJFWSA-N -1 1 279.380 2.683 20 0 CFADMM 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283.755 2.591 20 0 CFADMM CCOc1cc(C(=O)NOCC2CCC2)cc(Cl)c1[O-] ZINC000856343397 635787276 /nfs/dbraw/zinc/78/72/76/635787276.db2.gz HVJMKLZKVPCJDE-UHFFFAOYSA-N -1 1 299.754 2.906 20 0 CFADMM CCCC[C@H](C(=O)N=c1ccnc2n(C)[n-]cc1-2)C(C)C ZINC000857615780 635995390 /nfs/dbraw/zinc/99/53/90/635995390.db2.gz ZOSOHQXQSOGNOT-LBPRGKRZSA-N -1 1 288.395 2.743 20 0 CFADMM CC(C)c1cc(C(=O)[N-]c2ccnc(F)c2F)no1 ZINC000857697554 636012941 /nfs/dbraw/zinc/01/29/41/636012941.db2.gz YMAXCTSIWICAPS-UHFFFAOYSA-N -1 1 267.235 2.724 20 0 CFADMM CC(C)CCOC1CCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858353190 636203675 /nfs/dbraw/zinc/20/36/75/636203675.db2.gz GGAXSMVIPXVPLD-UHFFFAOYSA-N -1 1 299.802 2.867 20 0 CFADMM CC(C)(C)SCCNc1cc(Cl)[n-]c(=O)n1 ZINC000858387910 636217550 /nfs/dbraw/zinc/21/75/50/636217550.db2.gz PKMSQTWDJDPWLW-UHFFFAOYSA-N -1 1 261.778 2.779 20 0 CFADMM CC[C@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858414991 636226199 /nfs/dbraw/zinc/22/61/99/636226199.db2.gz MUSMQSVJHRQVPL-VIFPVBQESA-N -1 1 255.749 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BFGPFKDYKSNSEV-MNOVXSKESA-N -1 1 252.358 2.577 20 0 CFADMM O=c1c2c([n-]n1[C@@H]1CCCSC1)CCCCC2 ZINC000887299328 647264558 /nfs/dbraw/zinc/26/45/58/647264558.db2.gz WNIFLWJFPRPARK-MNOVXSKESA-N -1 1 252.383 2.661 20 0 CFADMM CCCc1[n-]n([C@@H]2CCCSC2)c(=O)c1CC ZINC000887299190 647264729 /nfs/dbraw/zinc/26/47/29/647264729.db2.gz RTBJYGYIPFVPBP-MNOVXSKESA-N -1 1 254.399 2.907 20 0 CFADMM C[C@@H]([N-]C(=O)C(F)(F)c1nccs1)c1cncs1 ZINC000889512855 647589194 /nfs/dbraw/zinc/58/91/94/647589194.db2.gz VWCASYCMKZOSBS-ZCFIWIBFSA-N -1 1 289.332 2.569 20 0 CFADMM CC(C)(C)c1coc(CNC(=O)c2ccc([O-])c(F)c2)n1 ZINC000889557931 647597936 /nfs/dbraw/zinc/59/79/36/647597936.db2.gz RTMULVWVRVXTBG-UHFFFAOYSA-N -1 1 292.310 2.747 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000889597902 647610603 /nfs/dbraw/zinc/61/06/03/647610603.db2.gz VDSDPRJSVHNOAF-IJLUTSLNSA-N -1 1 289.379 2.532 20 0 CFADMM O=C(Nc1ccnn1C1CCC1)c1c(F)ccc([O-])c1F ZINC000890359102 647785293 /nfs/dbraw/zinc/78/52/93/647785293.db2.gz FVEINFMHRVMVSK-UHFFFAOYSA-N -1 1 293.273 2.844 20 0 CFADMM O=C(N[C@@H]1CCOC12CCCC2)c1c([O-])cccc1Cl ZINC000890415163 647796314 /nfs/dbraw/zinc/79/63/14/647796314.db2.gz OTFUWKUEGSHODL-GFCCVEGCSA-N -1 1 295.766 2.877 20 0 CFADMM COC(C)(C)[C@@H](C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000928587257 648928486 /nfs/dbraw/zinc/92/84/86/648928486.db2.gz FMPBKGAMYJJBBK-SECBINFHSA-N -1 1 285.771 2.518 20 0 CFADMM O=C(N[C@H](c1ccccn1)C1CC1)c1cc(F)ccc1[O-] ZINC000928611483 648933589 /nfs/dbraw/zinc/93/35/89/648933589.db2.gz HDYRHTYRGVFNLQ-HNNXBMFYSA-N -1 1 286.306 2.807 20 0 CFADMM COCc1ncsc1C(=O)[N-]c1c(C)noc1C(C)C ZINC000928784254 648953239 /nfs/dbraw/zinc/95/32/39/648953239.db2.gz CCTCQXWVCFWVSY-UHFFFAOYSA-N -1 1 295.364 2.962 20 0 CFADMM CC(C)(/C=C/Cl)NC(=O)c1c([O-])cccc1F ZINC000928928895 648966579 /nfs/dbraw/zinc/96/65/79/648966579.db2.gz HPFVYUZJJXFJKN-VOTSOKGWSA-N -1 1 257.692 2.792 20 0 CFADMM Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccccc2CF)n1 ZINC000930658993 649300160 /nfs/dbraw/zinc/30/01/60/649300160.db2.gz GTOHIOMWVOKSKN-UHFFFAOYSA-N -1 1 289.354 2.985 20 0 CFADMM O=C([N-]O[C@@H]1CCCCO1)C1(CCc2ccccc2)CC1 ZINC000931316908 649407165 /nfs/dbraw/zinc/40/71/65/649407165.db2.gz HMGDXROAOVMKOH-OAHLLOKOSA-N -1 1 289.375 2.974 20 0 CFADMM CC(C)Oc1ccc(F)c(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001243443288 782200125 /nfs/dbraw/zinc/20/01/25/782200125.db2.gz HUXPRYJWKQRBQQ-UHFFFAOYSA-N -1 1 299.309 2.855 20 0 CFADMM CC(C)Oc1ccc(F)c(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001243443288 782200131 /nfs/dbraw/zinc/20/01/31/782200131.db2.gz HUXPRYJWKQRBQQ-UHFFFAOYSA-N -1 1 299.309 2.855 20 0 CFADMM CCn1ccc(-c2cc(F)cc(F)c2[O-])cc1=O ZINC001243503581 782238253 /nfs/dbraw/zinc/23/82/53/782238253.db2.gz FOHKFTOHRYSECG-UHFFFAOYSA-N -1 1 251.232 2.519 20 0 CFADMM CN1C(=O)Cc2ccc(-c3cc(F)cc(F)c3[O-])cc21 ZINC001243505309 782240678 /nfs/dbraw/zinc/24/06/78/782240678.db2.gz QQQCDDBSAHLFMC-UHFFFAOYSA-N -1 1 275.254 2.856 20 0 CFADMM COC(=O)c1nc(OC)ccc1-c1cc(F)cc(F)c1[O-] ZINC001243505769 782241714 /nfs/dbraw/zinc/24/17/14/782241714.db2.gz LFYPCWUCFNCDFS-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM Cc1nc2cncc(-c3ccc(C(=O)[O-])c(F)c3F)c2[nH]1 ZINC001243513378 782248119 /nfs/dbraw/zinc/24/81/19/782248119.db2.gz FTSZLJJEFVXRPO-UHFFFAOYSA-N -1 1 289.241 2.910 20 0 CFADMM Cc1nc2c[nH]cc(-c3ccc(C(=O)[O-])c(F)c3F)c-2n1 ZINC001243513378 782248129 /nfs/dbraw/zinc/24/81/29/782248129.db2.gz FTSZLJJEFVXRPO-UHFFFAOYSA-N -1 1 289.241 2.910 20 0 CFADMM O=c1ccc(-c2c(F)cc([O-])cc2F)cn1CC1CC1 ZINC001241124771 782252854 /nfs/dbraw/zinc/25/28/54/782252854.db2.gz NPEAPOFCZBCVNZ-UHFFFAOYSA-N -1 1 277.270 2.909 20 0 CFADMM CCN(C)c1cc(C)nc(-c2cccc([O-])c2F)n1 ZINC001243540786 782262806 /nfs/dbraw/zinc/26/28/06/782262806.db2.gz BEIIBADTKNOLQD-UHFFFAOYSA-N -1 1 261.300 2.753 20 0 CFADMM CSc1nc(-c2cccc([O-])c2F)ncc1F ZINC001243542841 782264781 /nfs/dbraw/zinc/26/47/81/782264781.db2.gz PZQKHOJLSBCZSG-UHFFFAOYSA-N -1 1 254.261 2.849 20 0 CFADMM Cc1nc2cnc(-c3ccc(Cl)c([O-])c3)nc2[nH]1 ZINC001243579694 782289227 /nfs/dbraw/zinc/28/92/27/782289227.db2.gz XFHIOPVVQGMOIV-UHFFFAOYSA-N -1 1 260.684 2.639 20 0 CFADMM Cc1nccn1-c1cc(-c2ccc(Cl)c([O-])c2)ncn1 ZINC001243576388 782286453 /nfs/dbraw/zinc/28/64/53/782286453.db2.gz MZVLVJNPTLFEIO-UHFFFAOYSA-N -1 1 286.722 2.997 20 0 CFADMM CON(C)C(=O)c1cncc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243578307 782287606 /nfs/dbraw/zinc/28/76/06/782287606.db2.gz NBADESZDXGLZRX-UHFFFAOYSA-N -1 1 292.722 2.741 20 0 CFADMM Cc1cc(C(N)=O)cc(-c2ccc(Cl)c([O-])c2)n1 ZINC001243578515 782288449 /nfs/dbraw/zinc/28/84/49/782288449.db2.gz GWOUVRZHEUGUGG-UHFFFAOYSA-N -1 1 262.696 2.515 20 0 CFADMM CC(=O)NCc1ccc(-c2ccc(Cl)c([O-])c2)nc1 ZINC001243579314 782289833 /nfs/dbraw/zinc/28/98/33/782289833.db2.gz UGICGUPKCZBNME-UHFFFAOYSA-N -1 1 276.723 2.744 20 0 CFADMM CCNC(=O)c1cncc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243581250 782290324 /nfs/dbraw/zinc/29/03/24/782290324.db2.gz NOPFYCVEMVRZDP-UHFFFAOYSA-N -1 1 276.723 2.857 20 0 CFADMM CC(C)CCN(C(=O)c1cnc(C2CC2)[n-]c1=O)C1CC1 ZINC000821108527 781876850 /nfs/dbraw/zinc/87/68/50/781876850.db2.gz NNSHKFHIDDOZMS-UHFFFAOYSA-N -1 1 289.379 2.710 20 0 CFADMM Cc1cc(C=O)c([O-])c(C(=O)NCC[C@@]2(C)CC2(F)F)c1 ZINC001167189387 770132505 /nfs/dbraw/zinc/13/25/05/770132505.db2.gz YGFLCRYRXLYYIA-AWEZNQCLSA-N -1 1 297.301 2.678 20 0 CFADMM CC[C@](C)(NC(=O)c1ccc(F)c([O-])c1)C1CC1 ZINC001167197313 770137048 /nfs/dbraw/zinc/13/70/48/770137048.db2.gz SEHZJTFUPDUHBR-AWEZNQCLSA-N -1 1 251.301 2.840 20 0 CFADMM Cc1cc(C)c(-c2noc(-c3ncccc3[O-])n2)cn1 ZINC000397381949 770194048 /nfs/dbraw/zinc/19/40/48/770194048.db2.gz WHQCGAJYTSQDLC-UHFFFAOYSA-N -1 1 268.276 2.516 20 0 CFADMM Cc1cc(C)cc(CNCc2cccc(C(=O)[O-])n2)c1 ZINC000693188176 770348699 /nfs/dbraw/zinc/34/86/99/770348699.db2.gz PAIDBSUIKRZPLT-UHFFFAOYSA-N -1 1 270.332 2.686 20 0 CFADMM O=C([O-])c1ccccc1Nc1ccc2nccn2c1 ZINC001210969270 770408295 /nfs/dbraw/zinc/40/82/95/770408295.db2.gz KFRXTYYOLMECKA-UHFFFAOYSA-N -1 1 253.261 2.776 20 0 CFADMM c1ccc(-c2nnsc2[N-]c2ccncn2)cc1 ZINC001211024525 770414917 /nfs/dbraw/zinc/41/49/17/770414917.db2.gz VCHWZXJQUIQQLK-UHFFFAOYSA-N -1 1 255.306 2.739 20 0 CFADMM O=C1NCCc2ccc(-c3cc(F)c([O-])cc3F)cc21 ZINC001211339270 770486098 /nfs/dbraw/zinc/48/60/98/770486098.db2.gz MDKVJGFHFHOJCD-UHFFFAOYSA-N -1 1 275.254 2.623 20 0 CFADMM CS(=O)(=O)c1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211340051 770486118 /nfs/dbraw/zinc/48/61/18/770486118.db2.gz SAASAMUEIMJGAS-UHFFFAOYSA-N -1 1 284.283 2.741 20 0 CFADMM O=C1NCCN1c1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211339463 770486368 /nfs/dbraw/zinc/48/63/68/770486368.db2.gz PIHPKDMKVSBAIE-UHFFFAOYSA-N -1 1 290.269 2.867 20 0 CFADMM Cc1cc(Nc2ccnc(Cl)c2[O-])ccc1CO ZINC001211578490 775104174 /nfs/dbraw/zinc/10/41/74/775104174.db2.gz FUIMACUTYRNMOU-UHFFFAOYSA-N -1 1 264.712 2.985 20 0 CFADMM [O-]c1c(F)cc(Nc2ccc(F)cc2OCCO)cc1F ZINC001213386795 775115654 /nfs/dbraw/zinc/11/56/54/775115654.db2.gz VZJVJYAKLDIDHW-UHFFFAOYSA-N -1 1 299.248 2.924 20 0 CFADMM CCC[C@@H](C)[C@H](OCC[P@](=O)([O-])O)C(C)C ZINC001224601528 775223905 /nfs/dbraw/zinc/22/39/05/775223905.db2.gz HVRCFUUOXHAECV-GHMZBOCLSA-N -1 1 252.291 2.642 20 0 CFADMM C[C@@H](OCCCC[P@](=O)([O-])O)c1ccc(F)cc1 ZINC001225022383 775337785 /nfs/dbraw/zinc/33/77/85/775337785.db2.gz OEKIEHLXYBEZEQ-SNVBAGLBSA-N -1 1 276.244 2.861 20 0 CFADMM C[C@H](CCc1ccccc1)OCCCC[P@](=O)([O-])O ZINC001225023544 775338687 /nfs/dbraw/zinc/33/86/87/775338687.db2.gz XVYXHVHZPBMHTA-CYBMUJFWSA-N -1 1 286.308 2.982 20 0 CFADMM C[C@@H]1CCC[C@H](C)[C@H]1OCCCC[P@](=O)([O-])O ZINC001225019296 775338950 /nfs/dbraw/zinc/33/89/50/775338950.db2.gz VNLHCQLWCYNMLJ-GDNZZTSVSA-N -1 1 264.302 2.786 20 0 CFADMM Cc1ccc2c(c1)[C@@H](OCCCC[P@](=O)([O-])O)CC2 ZINC001225021842 775339066 /nfs/dbraw/zinc/33/90/66/775339066.db2.gz JMEHMBAWJRKPFA-AWEZNQCLSA-N -1 1 284.292 2.957 20 0 CFADMM CC(=O)c1ccc([O-])cc1OC[C@@H]1Cc2ccccc2O1 ZINC001225617774 775524777 /nfs/dbraw/zinc/52/47/77/775524777.db2.gz ZVDTXLJOYSZROW-AWEZNQCLSA-N -1 1 284.311 2.977 20 0 CFADMM CC(=O)c1ccc([O-])cc1O[C@@H](C)c1cnccn1 ZINC001225618742 775526998 /nfs/dbraw/zinc/52/69/98/775526998.db2.gz ISUBZJDKGPHCCT-JTQLQIEISA-N -1 1 258.277 2.525 20 0 CFADMM COC(=O)[C@H]1CC[C@H](Oc2cc([O-])ccc2C(C)=O)CC1 ZINC001225619314 775527403 /nfs/dbraw/zinc/52/74/03/775527403.db2.gz SURNVOSEZAWJCS-AULYBMBSSA-N -1 1 292.331 2.705 20 0 CFADMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1CCCC(=O)C1(C)C ZINC001225674531 775551795 /nfs/dbraw/zinc/55/17/95/775551795.db2.gz JFLAWEHOQINJOX-AWEZNQCLSA-N -1 1 292.331 2.827 20 0 CFADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H](C)c1ccccn1 ZINC001225674742 775552402 /nfs/dbraw/zinc/55/24/02/775552402.db2.gz LVXUROOUAWBEOV-JTQLQIEISA-N -1 1 273.288 2.835 20 0 CFADMM O=c1cc(O[C@H]2CCc3ccccc32)[nH]c(=S)[n-]1 ZINC001225761074 775585451 /nfs/dbraw/zinc/58/54/51/775585451.db2.gz KQFDTWOXKZVNKF-JTQLQIEISA-N -1 1 260.318 2.537 20 0 CFADMM O=c1cc(O[C@@H]2CCc3cc(F)ccc32)[nH]c(=S)[n-]1 ZINC001225762177 775585641 /nfs/dbraw/zinc/58/56/41/775585641.db2.gz HPIOQGHLZBVCPJ-SNVBAGLBSA-N -1 1 278.308 2.676 20 0 CFADMM C[C@@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1cccc(N(C)C)c1 ZINC001225765993 775586229 /nfs/dbraw/zinc/58/62/29/775586229.db2.gz PODWBLLFVFALPR-SECBINFHSA-N -1 1 291.376 2.677 20 0 CFADMM CC(=O)c1c[n-]c(=O)nc1O[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC001226241556 775750775 /nfs/dbraw/zinc/75/07/75/775750775.db2.gz YTDAJJVNPUJSKX-JAAHAHCPSA-N -1 1 290.363 2.834 20 0 CFADMM COc1cnc(=S)[n-]c1OC1CC(C)(C)OC(C)(C)C1 ZINC001226245956 775752131 /nfs/dbraw/zinc/75/21/31/775752131.db2.gz LYAXLIDTQGRDFM-UHFFFAOYSA-N -1 1 298.408 2.889 20 0 CFADMM COc1cnc(=S)[n-]c1O[C@H](c1cccnc1)C1CC1 ZINC001226244538 775752253 /nfs/dbraw/zinc/75/22/53/775752253.db2.gz CQNCQEMSPZLOFG-LBPRGKRZSA-N -1 1 289.360 2.699 20 0 CFADMM CC[C@H](COC)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226487592 775842889 /nfs/dbraw/zinc/84/28/89/775842889.db2.gz ZBBVKCMPWVTYOP-LLVKDONJSA-N -1 1 278.304 2.611 20 0 CFADMM Cc1cc(=O)oc2cc([O-])cc(OC[C@@H]3CC[C@H](C)O3)c12 ZINC001226490430 775845351 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779608830 /nfs/dbraw/zinc/60/88/30/779608830.db2.gz NLKJVELBCDCLRW-UHFFFAOYSA-N -1 1 263.322 2.662 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccccc3F)nc2[n-]1 ZINC001239556041 779624020 /nfs/dbraw/zinc/62/40/20/779624020.db2.gz LUXVCQHFKRYVSO-UHFFFAOYSA-N -1 1 271.251 2.551 20 0 CFADMM Cc1cccc(C)c1-c1ccc(-c2nnn[n-]2)nc1 ZINC001239597601 779649431 /nfs/dbraw/zinc/64/94/31/779649431.db2.gz LBPANQYOQWPVOP-UHFFFAOYSA-N -1 1 251.293 2.546 20 0 CFADMM Cc1cccc(C)c1-c1ccc(-c2nn[n-]n2)nc1 ZINC001239597601 779649432 /nfs/dbraw/zinc/64/94/32/779649432.db2.gz LBPANQYOQWPVOP-UHFFFAOYSA-N -1 1 251.293 2.546 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc(C(C)=O)cc3)nc2[n-]1 ZINC001239631104 779674976 /nfs/dbraw/zinc/67/49/76/779674976.db2.gz JXGQTOAXNKNGFS-UHFFFAOYSA-N -1 1 295.298 2.566 20 0 CFADMM Cc1ccc(-c2nc(C)cc3c2C(=O)[N-]C3=O)c(C)c1 ZINC001239810003 779791147 /nfs/dbraw/zinc/79/11/47/779791147.db2.gz QTMJHWGXQRXNLI-UHFFFAOYSA-N -1 1 266.300 2.557 20 0 CFADMM Cc1cc2c(c(-c3ccc(OC(C)C)cc3)n1)C(=O)[N-]C2=O ZINC001239958993 779883961 /nfs/dbraw/zinc/88/39/61/779883961.db2.gz SWJKGJAMKMYZFB-UHFFFAOYSA-N -1 1 296.326 2.728 20 0 CFADMM Cc1cc(-c2ccc(-c3nnn[n-]3)nc2)c(C)s1 ZINC001240430661 780160848 /nfs/dbraw/zinc/16/08/48/780160848.db2.gz ANBKFMUJIVSGTH-UHFFFAOYSA-N -1 1 257.322 2.607 20 0 CFADMM Cc1cc(-c2ccc(-c3nn[n-]n3)nc2)c(C)s1 ZINC001240430661 780160854 /nfs/dbraw/zinc/16/08/54/780160854.db2.gz ANBKFMUJIVSGTH-UHFFFAOYSA-N -1 1 257.322 2.607 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccc(F)c(F)c3)no2)n[n-]1 ZINC001212430014 780176346 /nfs/dbraw/zinc/17/63/46/780176346.db2.gz VFERZKXHAXVBSD-UHFFFAOYSA-N -1 1 290.229 2.608 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccc(F)c(F)c3)no2)[n-]n1 ZINC001212430014 780176351 /nfs/dbraw/zinc/17/63/51/780176351.db2.gz VFERZKXHAXVBSD-UHFFFAOYSA-N -1 1 290.229 2.608 20 0 CFADMM Nc1c2ncccc2nn1-c1cc(F)c([O-])c(Cl)c1 ZINC001214480710 780320767 /nfs/dbraw/zinc/32/07/67/780320767.db2.gz ZQWPDBTVCQMWSB-UHFFFAOYSA-N -1 1 278.674 2.501 20 0 CFADMM CSc1ccc(CN=c2[n-]nc(C)n2C2CC2)s1 ZINC000357706479 780365774 /nfs/dbraw/zinc/36/57/74/780365774.db2.gz YBYOYRJPORUTTF-UHFFFAOYSA-N -1 1 280.422 2.739 20 0 CFADMM COc1cc(F)cc(-c2noc(-c3ncccc3[O-])n2)c1 ZINC001212480665 780396528 /nfs/dbraw/zinc/39/65/28/780396528.db2.gz BLQUBAWYNXWJHO-UHFFFAOYSA-N -1 1 287.250 2.652 20 0 CFADMM COc1c(F)ccc(Nc2cc(=O)[n-]c(SC)n2)c1F ZINC001212494593 780415042 /nfs/dbraw/zinc/41/50/42/780415042.db2.gz RTJJJNGDZBWSED-UHFFFAOYSA-N -1 1 299.302 2.935 20 0 CFADMM COC(=O)c1ccc(F)c(-c2ccc([O-])c(F)c2)n1 ZINC001240782131 780435351 /nfs/dbraw/zinc/43/53/51/780435351.db2.gz QOIMKBBEZFVENC-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM COC(=O)c1ccc(-c2ccc([O-])c(F)c2)nc1C ZINC001240782708 780436012 /nfs/dbraw/zinc/43/60/12/780436012.db2.gz DXPZCRGHXGQFLU-UHFFFAOYSA-N -1 1 261.252 2.688 20 0 CFADMM [O-]c1ccc(-c2cncc(N3CCCCC3)n2)cc1F ZINC001240782378 780437136 /nfs/dbraw/zinc/43/71/36/780437136.db2.gz YFEKJEQJLCMLMZ-UHFFFAOYSA-N -1 1 273.311 2.979 20 0 CFADMM COC(=O)c1ccc2nc(-c3ccc([O-])c(F)c3)ncc2c1 ZINC001240783897 780437571 /nfs/dbraw/zinc/43/75/71/780437571.db2.gz ZQXZHOIRNWJLGD-UHFFFAOYSA-N -1 1 298.273 2.928 20 0 CFADMM Cc1cc(-c2nccn2C)c(-c2ccc([O-])c(F)c2)nn1 ZINC001240785979 780440702 /nfs/dbraw/zinc/44/07/02/780440702.db2.gz HFAOZFMGHUMYQF-UHFFFAOYSA-N -1 1 284.294 2.697 20 0 CFADMM [O-]c1ccc(-c2cnc(OC3CCOCC3)cn2)cc1F ZINC001240790032 780444302 /nfs/dbraw/zinc/44/43/02/780444302.db2.gz HHTSKJHFDORJNN-UHFFFAOYSA-N -1 1 290.294 2.546 20 0 CFADMM O=[P@@]([O-])(O)c1ccc(-c2cccc3cccnc32)cc1 ZINC001240895113 780504336 /nfs/dbraw/zinc/50/43/36/780504336.db2.gz KFLRZFHVLLSIOG-UHFFFAOYSA-N -1 1 285.239 2.705 20 0 CFADMM O=[P@]([O-])(O)c1ccc(-c2cccc3cccnc32)cc1 ZINC001240895113 780504338 /nfs/dbraw/zinc/50/43/38/780504338.db2.gz KFLRZFHVLLSIOG-UHFFFAOYSA-N -1 1 285.239 2.705 20 0 CFADMM CCOC(=O)c1cccc(-c2c(F)cc([O-])cc2F)n1 ZINC001241116896 780645450 /nfs/dbraw/zinc/64/54/50/780645450.db2.gz GPISSTBTMFHYPV-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM CCOC(=O)Cc1cccnc1-c1c(F)cc([O-])cc1F ZINC001241117706 780646259 /nfs/dbraw/zinc/64/62/59/780646259.db2.gz WBOCSWMTOBFCEX-UHFFFAOYSA-N -1 1 293.269 2.838 20 0 CFADMM CCOc1cccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1 ZINC001241117405 780646575 /nfs/dbraw/zinc/64/65/75/780646575.db2.gz JVSMETMQWWDLGW-UHFFFAOYSA-N -1 1 281.311 2.565 20 0 CFADMM COC(=O)c1c(C)ccnc1-c1c(F)cc([O-])cc1F ZINC001241117477 780646601 /nfs/dbraw/zinc/64/66/01/780646601.db2.gz QDMHCWVGWHBGDN-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM CC(=O)Nc1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241118975 780647384 /nfs/dbraw/zinc/64/73/84/780647384.db2.gz AOYDFXBWHSFZLY-UHFFFAOYSA-N -1 1 264.231 2.691 20 0 CFADMM CNc1cnc(-c2c(F)cc([O-])cc2F)cc1C(=O)OC ZINC001241118567 780647586 /nfs/dbraw/zinc/64/75/86/780647586.db2.gz QCLNQWCXZVROCR-UHFFFAOYSA-N -1 1 294.257 2.561 20 0 CFADMM CSc1ccc(-c2c(F)cc([O-])cc2F)nn1 ZINC001241120117 780648924 /nfs/dbraw/zinc/64/89/24/780648924.db2.gz LHYXVKYLQLAYNU-UHFFFAOYSA-N -1 1 254.261 2.849 20 0 CFADMM O=C1Cc2c(cccc2-c2c(F)cc([O-])cc2F)N1 ZINC001241121984 780650845 /nfs/dbraw/zinc/65/08/45/780650845.db2.gz HEUNTLNFPOSLMS-UHFFFAOYSA-N -1 1 261.227 2.832 20 0 CFADMM CCOC(=O)c1ccncc1-c1c(F)cc([O-])cc1F ZINC001241122398 780651258 /nfs/dbraw/zinc/65/12/58/780651258.db2.gz BUPQEARKCGXBLY-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM NC(=O)c1ccc(F)cc1-c1c(F)cc([O-])cc1F ZINC001241121923 780651394 /nfs/dbraw/zinc/65/13/94/780651394.db2.gz STIMBTTVPFCNPY-UHFFFAOYSA-N -1 1 267.206 2.575 20 0 CFADMM CC1(c2ccc(-c3c(F)cc([O-])cc3F)cn2)OCCO1 ZINC001241125098 780652018 /nfs/dbraw/zinc/65/20/18/780652018.db2.gz RJIAFFNASXLPST-UHFFFAOYSA-N -1 1 293.269 2.952 20 0 CFADMM Cn1ccc2nc(-c3c(F)cc([O-])cc3F)cnc21 ZINC001241122696 780652091 /nfs/dbraw/zinc/65/20/91/780652091.db2.gz VRBRTKJTRMMABZ-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM COc1cc(-c2c(F)cc([O-])cc2F)c(OC)cn1 ZINC001241125021 780652558 /nfs/dbraw/zinc/65/25/58/780652558.db2.gz PMKZEMIOEBGEOS-UHFFFAOYSA-N -1 1 267.231 2.750 20 0 CFADMM O=C1Cc2cc(-c3ccc(Cl)c(F)c3)ccc2C(=O)[N-]1 ZINC001241233634 780721464 /nfs/dbraw/zinc/72/14/64/780721464.db2.gz OZDPBBFXUALISR-UHFFFAOYSA-N -1 1 289.693 2.959 20 0 CFADMM COc1cnc(-c2cc([O-])cc(F)c2)nc1NC1CC1 ZINC001241257730 780738783 /nfs/dbraw/zinc/73/87/83/780738783.db2.gz PLPIUUHRYDMMAI-UHFFFAOYSA-N -1 1 275.283 2.571 20 0 CFADMM COc1cc(-c2c(F)ccc([O-])c2F)ncc1F ZINC001241289167 780757743 /nfs/dbraw/zinc/75/77/43/780757743.db2.gz MJNCYDMWMONFCQ-UHFFFAOYSA-N -1 1 255.195 2.880 20 0 CFADMM COCc1ccnc(-c2c(F)ccc([O-])c2F)c1 ZINC001241290785 780759165 /nfs/dbraw/zinc/75/91/65/780759165.db2.gz DRPNLJNJXJINCD-UHFFFAOYSA-N -1 1 251.232 2.879 20 0 CFADMM CCc1nc(-c2c(F)ccc([O-])c2F)ncc1F ZINC001241289638 780759593 /nfs/dbraw/zinc/75/95/93/780759593.db2.gz XGGCEYDKHPQEEW-UHFFFAOYSA-N -1 1 254.211 2.829 20 0 CFADMM CCc1ncc(F)c(-c2c(F)ccc([O-])c2F)n1 ZINC001241290101 780759936 /nfs/dbraw/zinc/75/99/36/780759936.db2.gz KUBPVNWEAHBCGO-UHFFFAOYSA-N -1 1 254.211 2.829 20 0 CFADMM CCS(=O)(=O)c1cccnc1-c1c(F)ccc([O-])c1F ZINC001241290876 780759964 /nfs/dbraw/zinc/75/99/64/780759964.db2.gz WNIKJZNVKDFKOW-UHFFFAOYSA-N -1 1 299.298 2.526 20 0 CFADMM COC(=O)c1cnc(-c2c(F)ccc([O-])c2F)c(F)c1 ZINC001241290725 780760249 /nfs/dbraw/zinc/76/02/49/780760249.db2.gz BXPVOSVFPPFTMF-UHFFFAOYSA-N -1 1 283.205 2.658 20 0 CFADMM COC(=O)c1ccc(C)nc1-c1c(F)ccc([O-])c1F ZINC001241291007 780761235 /nfs/dbraw/zinc/76/12/35/780761235.db2.gz TWROALZNZUYGOD-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM [O-]c1ccc(F)c(-c2ncnc3ncccc32)c1F ZINC001241291735 780761729 /nfs/dbraw/zinc/76/17/29/780761729.db2.gz UBNKVKRKPADYMF-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM CCOc1ncc(F)c(-c2c(F)ccc([O-])c2F)n1 ZINC001241291708 780762097 /nfs/dbraw/zinc/76/20/97/780762097.db2.gz SLIWVZFUVVLWTJ-UHFFFAOYSA-N -1 1 270.210 2.665 20 0 CFADMM [O-]c1ccc(F)c(-c2cc(O[C@@H]3CCOC3)ccn2)c1F ZINC001241295292 780766403 /nfs/dbraw/zinc/76/64/03/780766403.db2.gz MUTAQNNXAZGIMN-SNVBAGLBSA-N -1 1 293.269 2.900 20 0 CFADMM O=C([N-]c1cccc2nonc21)c1scnc1C(F)F ZINC001128789651 780844809 /nfs/dbraw/zinc/84/48/09/780844809.db2.gz JPQNCSZKQQUSOB-UHFFFAOYSA-N -1 1 296.258 2.869 20 0 CFADMM CCOc1ccc(-c2ccc3[n-]c(C(=O)OC)nc3c2)cn1 ZINC001241703953 781083351 /nfs/dbraw/zinc/08/33/51/781083351.db2.gz IXTRYMDENVNRPE-UHFFFAOYSA-N -1 1 297.314 2.810 20 0 CFADMM CCOc1ccc(-c2ccc3nc(C(=O)OC)[n-]c3c2)cn1 ZINC001241703953 781083359 /nfs/dbraw/zinc/08/33/59/781083359.db2.gz IXTRYMDENVNRPE-UHFFFAOYSA-N -1 1 297.314 2.810 20 0 CFADMM C[C@]1(C(F)(F)F)CCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000708923491 781284929 /nfs/dbraw/zinc/28/49/29/781284929.db2.gz CSRNOYWTGDRIQB-NSHDSACASA-N -1 1 277.242 2.752 20 0 CFADMM [O-]c1ccc(C(F)(F)F)cc1-c1nccc2n[nH]nc21 ZINC001242126145 781293779 /nfs/dbraw/zinc/29/37/79/781293779.db2.gz GWXGURWHYGUECW-UHFFFAOYSA-N -1 1 280.209 2.744 20 0 CFADMM CN(C)c1nccnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242131089 781294254 /nfs/dbraw/zinc/29/42/54/781294254.db2.gz ATQYECCADXEIFA-UHFFFAOYSA-N -1 1 283.253 2.934 20 0 CFADMM COc1ccc(-c2cc(C(F)(F)F)ccc2[O-])nn1 ZINC001242126966 781294351 /nfs/dbraw/zinc/29/43/51/781294351.db2.gz UFTANQOQXCSDIZ-UHFFFAOYSA-N -1 1 270.210 2.877 20 0 CFADMM O=C1NCc2ccc(-c3cc(C(F)(F)F)ccc3[O-])nc21 ZINC001242132082 781295874 /nfs/dbraw/zinc/29/58/74/781295874.db2.gz UWERZBCPKAQHIO-UHFFFAOYSA-N -1 1 294.232 2.716 20 0 CFADMM Cn1cnc2ncnc(-c3cc(C(F)(F)F)ccc3[O-])c21 ZINC001242131568 781296040 /nfs/dbraw/zinc/29/60/40/781296040.db2.gz NABBYCDZRFZMNH-UHFFFAOYSA-N -1 1 294.236 2.755 20 0 CFADMM NC(=O)c1cccnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242147690 781300519 /nfs/dbraw/zinc/30/05/19/781300519.db2.gz DITUNLKFGRTWMV-UHFFFAOYSA-N -1 1 282.221 2.572 20 0 CFADMM O=C1Cc2ccc(-c3ccc([O-])c(C(F)(F)F)c3)nc2N1 ZINC001242151047 781303439 /nfs/dbraw/zinc/30/34/39/781303439.db2.gz FDHWCKJVTPQESI-UHFFFAOYSA-N -1 1 294.232 2.968 20 0 CFADMM Cc1ccc(C(N)=O)c(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242153117 781304159 /nfs/dbraw/zinc/30/41/59/781304159.db2.gz QWZMEEMHJJHRCH-UHFFFAOYSA-N -1 1 296.248 2.880 20 0 CFADMM COC(=O)c1cc(-c2ccc(F)cc2[O-])c2nccn2c1 ZINC001242217213 781332026 /nfs/dbraw/zinc/33/20/26/781332026.db2.gz MFDONJUGTVPIGJ-UHFFFAOYSA-N -1 1 286.262 2.633 20 0 CFADMM O=c1c(-c2ccc(F)cc2[O-])cccn1Cc1cccnc1 ZINC001242219359 781334816 /nfs/dbraw/zinc/33/48/16/781334816.db2.gz FVTQTILQXQHLGO-UHFFFAOYSA-N -1 1 296.301 2.803 20 0 CFADMM CC(C)Oc1ccccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001242223278 781336158 /nfs/dbraw/zinc/33/61/58/781336158.db2.gz ZVYMNHFUUWRWPZ-UHFFFAOYSA-N -1 1 281.319 2.716 20 0 CFADMM CC(C)Oc1ccccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001242223278 781336161 /nfs/dbraw/zinc/33/61/61/781336161.db2.gz ZVYMNHFUUWRWPZ-UHFFFAOYSA-N -1 1 281.319 2.716 20 0 CFADMM CN(Cc1ccco1)Cc1cc(C(=O)[O-])cs1 ZINC000711380051 781417253 /nfs/dbraw/zinc/41/72/53/781417253.db2.gz YYNUGRAURDWCBQ-UHFFFAOYSA-N -1 1 251.307 2.671 20 0 CFADMM COc1nc(SC)ncc1-c1cccc(F)c1[O-] ZINC001242350898 781422568 /nfs/dbraw/zinc/42/25/68/781422568.db2.gz OEYUFNLZMGIYQT-UHFFFAOYSA-N -1 1 266.297 2.719 20 0 CFADMM COC(=O)c1cc(F)ncc1-c1cccc(F)c1[O-] ZINC001242352081 781424492 /nfs/dbraw/zinc/42/44/92/781424492.db2.gz LBOUGKTZSOGBFN-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM CCOC(=O)c1ccncc1-c1cccc(F)c1[O-] ZINC001242352131 781424601 /nfs/dbraw/zinc/42/46/01/781424601.db2.gz NTNGSXPVJJXWNE-UHFFFAOYSA-N -1 1 261.252 2.770 20 0 CFADMM O=c1c(-c2cccc(F)c2[O-])cccn1-c1ccncc1 ZINC001242352643 781427200 /nfs/dbraw/zinc/42/72/00/781427200.db2.gz LKTPKXSTIJYBPT-UHFFFAOYSA-N -1 1 282.274 2.744 20 0 CFADMM COC(=O)c1csc(CSc2ncc(C)c(=O)[n-]2)c1 ZINC000711465217 781436716 /nfs/dbraw/zinc/43/67/16/781436716.db2.gz PEBXZCPOVRVTSH-UHFFFAOYSA-N -1 1 296.373 2.631 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](CF)C1 ZINC000711469293 781438466 /nfs/dbraw/zinc/43/84/66/781438466.db2.gz LOTFQEAAZYQVQB-VIFPVBQESA-N -1 1 271.719 2.867 20 0 CFADMM O=C1NCCc2cc(-c3cccc(Cl)c3[O-])ccc21 ZINC001242366003 781438987 /nfs/dbraw/zinc/43/89/87/781438987.db2.gz DEAFIZMNFCMDDV-UHFFFAOYSA-N -1 1 273.719 2.999 20 0 CFADMM O=C1Cc2cc(-c3cccc(Cl)c3[O-])ccc2CN1 ZINC001242366194 781439247 /nfs/dbraw/zinc/43/92/47/781439247.db2.gz ROLMWWBVFHUQRT-UHFFFAOYSA-N -1 1 273.719 2.885 20 0 CFADMM CCc1cc(OC)ccc1-c1nc(C)cc2c1C(=O)[N-]C2=O ZINC001242697409 781702327 /nfs/dbraw/zinc/70/23/27/781702327.db2.gz BLWZXRZWAJNFCB-UHFFFAOYSA-N -1 1 296.326 2.512 20 0 CFADMM C[C@H]1CC(=O)Nc2ncnc(-c3cccc([O-])c3Cl)c21 ZINC001242798046 781763748 /nfs/dbraw/zinc/76/37/48/781763748.db2.gz PTVRFZZECZOANK-ZETCQYMHSA-N -1 1 289.722 2.948 20 0 CFADMM CCOC(=O)c1cnc(-c2cccc([O-])c2Cl)nc1C ZINC001242798779 781764128 /nfs/dbraw/zinc/76/41/28/781764128.db2.gz ZNLGBRFRCOCGKY-UHFFFAOYSA-N -1 1 292.722 2.988 20 0 CFADMM C[C@H]1C(=O)Nc2ncnc(-c3cccc([O-])c3Cl)c21 ZINC001242800911 781765634 /nfs/dbraw/zinc/76/56/34/781765634.db2.gz MKNJBGNVKFGLTC-ZCFIWIBFSA-N -1 1 275.695 2.558 20 0 CFADMM [O-]c1cccc(-c2ccc(-n3ccnc3)nn2)c1Cl ZINC001242800171 781765700 /nfs/dbraw/zinc/76/57/00/781765700.db2.gz DQIDGPPWCOGSAC-UHFFFAOYSA-N -1 1 272.695 2.688 20 0 CFADMM O=S1(=O)Cc2cc(-c3cccc([O-])c3Cl)ccc2N1 ZINC001242800655 781765821 /nfs/dbraw/zinc/76/58/21/781765821.db2.gz PUJXBWOLHXYMOX-UHFFFAOYSA-N -1 1 295.747 2.968 20 0 CFADMM CCNC(=O)c1cncc(-c2cccc([O-])c2Cl)c1 ZINC001242800745 781765877 /nfs/dbraw/zinc/76/58/77/781765877.db2.gz NEJPNGBBVJDQDW-UHFFFAOYSA-N -1 1 276.723 2.857 20 0 CFADMM Cc1noc2ncnc(-c3cccc([O-])c3Cl)c12 ZINC001242800018 781766142 /nfs/dbraw/zinc/76/61/42/781766142.db2.gz BUNZNJAKFZINEC-UHFFFAOYSA-N -1 1 261.668 2.952 20 0 CFADMM Cc1cn(-c2cc(-c3cccc([O-])c3Cl)ncn2)cn1 ZINC001242800935 781766167 /nfs/dbraw/zinc/76/61/67/781766167.db2.gz MRLOZFVXGKWXBK-UHFFFAOYSA-N -1 1 286.722 2.997 20 0 CFADMM CC1(C)C(=O)Nc2ncnc(-c3cccc([O-])c3Cl)c21 ZINC001242801456 781767291 /nfs/dbraw/zinc/76/72/91/781767291.db2.gz SSDOTVLOVFXWFM-UHFFFAOYSA-N -1 1 289.722 2.732 20 0 CFADMM NC(=O)c1ccc(F)c(-c2cccc([O-])c2Cl)c1 ZINC001242802249 781767919 /nfs/dbraw/zinc/76/79/19/781767919.db2.gz CMUVKTWCNGGLIB-UHFFFAOYSA-N -1 1 265.671 2.951 20 0 CFADMM NCc1ncc(-c2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC001242853387 781801460 /nfs/dbraw/zinc/80/14/60/781801460.db2.gz NILSOMBIHLAOFK-UHFFFAOYSA-N -1 1 270.119 2.615 20 0 CFADMM O=C([O-])[C@@H]1CCCN(Cc2cc(Cl)ccc2F)C1 ZINC000082577060 178117168 /nfs/dbraw/zinc/11/71/68/178117168.db2.gz KQMCYBDPLSDVJL-SECBINFHSA-N -1 1 271.719 2.776 20 0 CFADMM Cc1noc(C)c1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000068073142 346834079 /nfs/dbraw/zinc/83/40/79/346834079.db2.gz VHSJXBVIOMCRAQ-UHFFFAOYSA-N -1 1 280.353 2.693 20 0 CFADMM CCC(CC)n1ccc(CN2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000069996863 346904313 /nfs/dbraw/zinc/90/43/13/346904313.db2.gz UDGRVKITQZEVRH-GFCCVEGCSA-N -1 1 279.384 2.541 20 0 CFADMM C[C@H]1CCC[C@H](C)N1Cc1nc(C(=O)[O-])cs1 ZINC000031945135 539345874 /nfs/dbraw/zinc/34/58/74/539345874.db2.gz OKCFMBVJGZTDTL-IUCAKERBSA-N -1 1 254.355 2.604 20 0 CFADMM CC(C)Nc1ccc(C(=O)Nc2c([O-])cccc2F)cn1 ZINC000084403712 539380570 /nfs/dbraw/zinc/38/05/70/539380570.db2.gz WYRHYRHARAUDTE-UHFFFAOYSA-N -1 1 289.310 2.999 20 0 CFADMM CCOc1cc(C(=O)N[C@@H]2CC2(C)C)cc(Cl)c1[O-] ZINC000273929367 192367554 /nfs/dbraw/zinc/36/75/54/192367554.db2.gz HOIDUXWIZCCYEX-LLVKDONJSA-N -1 1 283.755 2.973 20 0 CFADMM O=C(Nc1cc(Cl)ccn1)c1cc(F)ccc1[O-] ZINC000162928077 232256143 /nfs/dbraw/zinc/25/61/43/232256143.db2.gz ASBBWDOLLIUXDZ-UHFFFAOYSA-N -1 1 266.659 2.832 20 0 CFADMM O=C(NCc1ccc(F)cc1)c1c([O-])cccc1F ZINC000163606615 232258369 /nfs/dbraw/zinc/25/83/69/232258369.db2.gz VWWGVUPOBDMTAE-UHFFFAOYSA-N -1 1 263.243 2.600 20 0 CFADMM O=C([N-]c1nncs1)c1csc(-c2cccs2)n1 ZINC000021215061 346245702 /nfs/dbraw/zinc/24/57/02/346245702.db2.gz ASRFXKUGEYWRSC-UHFFFAOYSA-N -1 1 294.386 2.975 20 0 CFADMM CCOC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000040452199 346347135 /nfs/dbraw/zinc/34/71/35/346347135.db2.gz CKRYFMCKWVYEMN-UHFFFAOYSA-N -1 1 283.755 2.687 20 0 CFADMM Cc1csc(CN[C@]2(C(=O)[O-])CCC[C@H](C)C2)n1 ZINC000041812561 346355371 /nfs/dbraw/zinc/35/53/71/346355371.db2.gz VYKTWNOILGTEOE-TVQRCGJNSA-N -1 1 268.382 2.575 20 0 CFADMM Cc1csc(CN[C@@]2(C(=O)[O-])CCC[C@H](C)C2)n1 ZINC000041812563 346355405 /nfs/dbraw/zinc/35/54/05/346355405.db2.gz VYKTWNOILGTEOE-ZANVPECISA-N -1 1 268.382 2.575 20 0 CFADMM COc1cccc(C)c1NC(=O)c1ccc(O)cc1[O-] ZINC000194970120 232514021 /nfs/dbraw/zinc/51/40/21/232514021.db2.gz HOQRITJQWKPIOV-UHFFFAOYSA-N -1 1 273.288 2.667 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)CC)n1 ZINC000085682986 179114813 /nfs/dbraw/zinc/11/48/13/179114813.db2.gz MYLBAGAAVRAPLR-QMMMGPOBSA-N -1 1 254.355 2.594 20 0 CFADMM Cc1ccc(CN[C@@]2(C(=O)[O-])CCC[C@H](C)C2)o1 ZINC000053043508 346536223 /nfs/dbraw/zinc/53/62/23/346536223.db2.gz XKJYYWPGDMTIGU-HZMBPMFUSA-N -1 1 251.326 2.711 20 0 CFADMM Cc1nccc(CNC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000055838735 346597516 /nfs/dbraw/zinc/59/75/16/346597516.db2.gz VZUCOFFDEQXATL-UHFFFAOYSA-N -1 1 293.326 2.574 20 0 CFADMM C[C@@]1(C(=O)[O-])CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000062876979 346692737 /nfs/dbraw/zinc/69/27/37/346692737.db2.gz QSQIJMLXLCQWNE-OAHLLOKOSA-N -1 1 290.319 2.621 20 0 CFADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])c1ccccc1 ZINC000067177960 346793887 /nfs/dbraw/zinc/79/38/87/346793887.db2.gz IKBIXAWWGZCDGW-GFCCVEGCSA-N -1 1 270.332 2.663 20 0 CFADMM Cc1noc2ncc(NC(=O)c3cc(F)ccc3[O-])cc12 ZINC000080030271 347338144 /nfs/dbraw/zinc/33/81/44/347338144.db2.gz CCLGUWNGIZTLNY-UHFFFAOYSA-N -1 1 287.250 2.628 20 0 CFADMM CCC1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000079415802 347303325 /nfs/dbraw/zinc/30/33/25/347303325.db2.gz ANJBTDSCPMSZIW-UHFFFAOYSA-N -1 1 285.347 2.598 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCc2ccc(F)cc21 ZINC000081958100 347440562 /nfs/dbraw/zinc/44/05/62/347440562.db2.gz MTSBLQDMFXFIAI-UHFFFAOYSA-N -1 1 275.254 2.873 20 0 CFADMM O=S(=O)([N-][C@H]1CC=CCC1)c1cc2ccccc2o1 ZINC000084938419 347476950 /nfs/dbraw/zinc/47/69/50/347476950.db2.gz UWDQATPZKJIGJK-LBPRGKRZSA-N -1 1 277.345 2.820 20 0 CFADMM CCc1nsc([N-]c2cnn(C(C)(C)C)c2)n1 ZINC000092624395 347635674 /nfs/dbraw/zinc/63/56/74/347635674.db2.gz NZECDKUUAIFODK-UHFFFAOYSA-N -1 1 251.359 2.796 20 0 CFADMM CCCCN(C(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000128622886 187380257 /nfs/dbraw/zinc/38/02/57/187380257.db2.gz MEHUVPDESNDDES-UHFFFAOYSA-N -1 1 251.301 2.936 20 0 CFADMM COc1ccc(C(=O)Nc2cc3n[nH]cc3cc2C)c([O-])c1 ZINC000094101128 347691578 /nfs/dbraw/zinc/69/15/78/347691578.db2.gz HWOFULOZNGCWET-UHFFFAOYSA-N -1 1 297.314 2.838 20 0 CFADMM COC1CCC(N(C)C(=O)c2cc(F)ccc2[O-])CC1 ZINC000094151231 347693113 /nfs/dbraw/zinc/69/31/13/347693113.db2.gz HSNUBZHUOWENTG-UHFFFAOYSA-N -1 1 281.327 2.561 20 0 CFADMM CN(C(=O)c1cncc([O-])c1)[C@H]1CCCc2ccccc21 ZINC000111775481 347756173 /nfs/dbraw/zinc/75/61/73/347756173.db2.gz RGRFVEAXAQNYGT-INIZCTEOSA-N -1 1 282.343 2.937 20 0 CFADMM C[C@@H](CN(C)Cc1cc(F)ccc1Cl)C(=O)[O-] ZINC000124452830 347824370 /nfs/dbraw/zinc/82/43/70/347824370.db2.gz RSWQWQIELJYJEK-QMMMGPOBSA-N -1 1 259.708 2.632 20 0 CFADMM C[C@@H](c1cccnc1)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000124635433 347825824 /nfs/dbraw/zinc/82/58/24/347825824.db2.gz JIUQVHKAJOKXQU-LBPRGKRZSA-N -1 1 282.343 2.899 20 0 CFADMM C[C@@H](c1cccnc1)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000124635433 347825827 /nfs/dbraw/zinc/82/58/27/347825827.db2.gz JIUQVHKAJOKXQU-LBPRGKRZSA-N -1 1 282.343 2.899 20 0 CFADMM CCC(=O)[C@@H](C)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000126985248 347838296 /nfs/dbraw/zinc/83/82/96/347838296.db2.gz JYJYJQYTVZBEOR-RXMQYKEDSA-N -1 1 280.271 2.661 20 0 CFADMM Cc1ccccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)n[nH]1 ZINC000134792996 347901737 /nfs/dbraw/zinc/90/17/37/347901737.db2.gz ATNMUOBVXUKDIU-UHFFFAOYSA-N -1 1 293.392 2.816 20 0 CFADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2c(F)cccc2F)C1 ZINC000150077481 347955055 /nfs/dbraw/zinc/95/50/55/347955055.db2.gz OICNSMMNXCAWEA-VHSXEESVSA-N -1 1 269.291 2.507 20 0 CFADMM Cc1cccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)n1 ZINC000202807387 348154187 /nfs/dbraw/zinc/15/41/87/348154187.db2.gz OYEHDWBFSXSWNK-UHFFFAOYSA-N -1 1 296.779 2.985 20 0 CFADMM CC(C)c1ccc([C@H](C)[N@H+]2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000226452484 348183724 /nfs/dbraw/zinc/18/37/24/348183724.db2.gz MQAINISAPLCYLW-SWLSCSKDSA-N -1 1 277.364 2.656 20 0 CFADMM CC(C)c1ccc([C@H](C)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000226452484 348183728 /nfs/dbraw/zinc/18/37/28/348183728.db2.gz MQAINISAPLCYLW-SWLSCSKDSA-N -1 1 277.364 2.656 20 0 CFADMM CCCN(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000226719409 348184408 /nfs/dbraw/zinc/18/44/08/348184408.db2.gz DWSYFWFPUYPFAR-UHFFFAOYSA-N -1 1 286.169 2.989 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c(F)c1 ZINC000404983121 539626068 /nfs/dbraw/zinc/62/60/68/539626068.db2.gz OTYUYQUULZUXPI-LLVKDONJSA-N -1 1 293.310 2.600 20 0 CFADMM COC(=O)c1ccc([C@@H](C)Sc2ncc(C)c(=O)[n-]2)o1 ZINC000312429959 348418128 /nfs/dbraw/zinc/41/81/28/348418128.db2.gz RIODOSXIBREVIC-MRVPVSSYSA-N -1 1 294.332 2.724 20 0 CFADMM Cc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)ncn1 ZINC000350819072 348479425 /nfs/dbraw/zinc/47/94/25/348479425.db2.gz YKMWVNYSKBBXAK-UHFFFAOYSA-N -1 1 288.694 2.861 20 0 CFADMM C[C@H]1C[N@H+](Cc2cccc([O-])c2Cl)CC[C@@H]1C(=O)[O-] ZINC000381067155 348526411 /nfs/dbraw/zinc/52/64/11/348526411.db2.gz PGZBNOMBXLGTFN-ONGXEEELSA-N -1 1 283.755 2.588 20 0 CFADMM C[C@H]1C[N@@H+](Cc2cccc([O-])c2Cl)CC[C@@H]1C(=O)[O-] ZINC000381067155 348526412 /nfs/dbraw/zinc/52/64/12/348526412.db2.gz PGZBNOMBXLGTFN-ONGXEEELSA-N -1 1 283.755 2.588 20 0 CFADMM CO[C@@H](C)c1nc(=NC[C@@H]2CC3CCC2CC3)s[n-]1 ZINC000400110023 348572091 /nfs/dbraw/zinc/57/20/91/348572091.db2.gz JQESUFSCJCOWNH-XKGSQUFQSA-N -1 1 281.425 2.906 20 0 CFADMM C[C@H]1C[C@H](N=c2[n-]c(C(F)(F)F)cs2)CS1 ZINC000413509573 233086171 /nfs/dbraw/zinc/08/61/71/233086171.db2.gz HQIFJUNTPILMKR-WDSKDSINSA-N -1 1 268.329 2.890 20 0 CFADMM COC[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000092228445 539674692 /nfs/dbraw/zinc/67/46/92/539674692.db2.gz MOHFKOZWJMJZKM-CYBMUJFWSA-N -1 1 285.343 2.796 20 0 CFADMM O=C(CCSC[C@@H]1CCCO1)c1ccc([O-])cc1O ZINC000594448792 349425196 /nfs/dbraw/zinc/42/51/96/349425196.db2.gz QJQKJQODSZNVRZ-NSHDSACASA-N -1 1 282.361 2.583 20 0 CFADMM CC(C)c1ccc(C(=O)N(C)c2cnn(C)c2)c([O-])c1 ZINC000271220977 191010972 /nfs/dbraw/zinc/01/09/72/191010972.db2.gz CPWLYGIIRJJLMK-UHFFFAOYSA-N -1 1 273.336 2.526 20 0 CFADMM CCCCN(C(=O)c1cncc([O-])c1)[C@H](C)CC ZINC000104428837 185999374 /nfs/dbraw/zinc/99/93/74/185999374.db2.gz YHNNDYRKIFTEEF-LLVKDONJSA-N -1 1 250.342 2.828 20 0 CFADMM O=S(=O)([N-][C@H]1CCC[C@@H](F)C1)c1cc(F)ccc1F ZINC000564907442 290248022 /nfs/dbraw/zinc/24/80/22/290248022.db2.gz FHVCFLPARXUTKJ-SCZZXKLOSA-N -1 1 293.310 2.524 20 0 CFADMM Cc1nc2ccc(CN3CCC[C@H]3C(=O)[O-])cc2s1 ZINC000414678138 233323895 /nfs/dbraw/zinc/32/38/95/233323895.db2.gz JGYAWVCELOTZBF-LBPRGKRZSA-N -1 1 276.361 2.654 20 0 CFADMM Cc1ccc(O)c(CN[C@H]2CCc3c2cccc3O)n1 ZINC000105486398 186060480 /nfs/dbraw/zinc/06/04/80/186060480.db2.gz YAIUHRWRBPGFDZ-ZDUSSCGKSA-N -1 1 270.332 2.578 20 0 CFADMM Cc1ccc(-c2ccc(C(=O)Nc3nnn[n-]3)c(F)c2)cc1 ZINC000106907720 186149970 /nfs/dbraw/zinc/14/99/70/186149970.db2.gz PHSGNYXODWUQRP-UHFFFAOYSA-N -1 1 297.293 2.567 20 0 CFADMM Cc1ccc(-c2ccc(C(=O)Nc3nn[n-]n3)c(F)c2)cc1 ZINC000106907720 186149972 /nfs/dbraw/zinc/14/99/72/186149972.db2.gz PHSGNYXODWUQRP-UHFFFAOYSA-N -1 1 297.293 2.567 20 0 CFADMM CSc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000109040515 186241173 /nfs/dbraw/zinc/24/11/73/186241173.db2.gz KXYKUFNZTUFAGO-UHFFFAOYSA-N -1 1 260.318 2.761 20 0 CFADMM O=C(c1cncc([O-])c1)N(Cc1ccco1)Cc1ccco1 ZINC000109042290 186241288 /nfs/dbraw/zinc/24/12/88/186241288.db2.gz XVKJVTYLDBEGTR-UHFFFAOYSA-N -1 1 298.298 2.816 20 0 CFADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000109424334 186251922 /nfs/dbraw/zinc/25/19/22/186251922.db2.gz YEECRYVGCMJUAN-UHFFFAOYSA-N -1 1 294.351 2.693 20 0 CFADMM Cc1cccc2sc(NC(=O)c3cncc([O-])c3)nc21 ZINC000109937117 186279985 /nfs/dbraw/zinc/27/99/85/186279985.db2.gz FVIYBVXSDVCMQU-UHFFFAOYSA-N -1 1 285.328 2.958 20 0 CFADMM COC(=O)c1cc(-n2[n-]c3c(c2=O)[C@@H](C)CC3)ccc1C ZINC000601949897 350816931 /nfs/dbraw/zinc/81/69/31/350816931.db2.gz LQWWGDKWWGSFGY-IINYFYTJSA-N -1 1 286.331 2.530 20 0 CFADMM C[C@@H](c1ccccc1)N(C)C(=O)c1cncc([O-])c1 ZINC000111775587 186456569 /nfs/dbraw/zinc/45/65/69/186456569.db2.gz NIJGCJUSSRAYOZ-NSHDSACASA-N -1 1 256.305 2.620 20 0 CFADMM O=C(CCc1ccccc1O)Nc1c([O-])cccc1F ZINC000605436626 351245737 /nfs/dbraw/zinc/24/57/37/351245737.db2.gz LJIRQGBPWMPVMH-UHFFFAOYSA-N -1 1 275.279 2.808 20 0 CFADMM Cc1ncc(C(=O)Nc2c([O-])cccc2F)s1 ZINC000605434647 351246046 /nfs/dbraw/zinc/24/60/46/351246046.db2.gz ATSVQOQCSYZZEQ-UHFFFAOYSA-N -1 1 252.270 2.549 20 0 CFADMM COCc1ccc(C(=O)Nc2c([O-])cccc2F)o1 ZINC000605440575 351246642 /nfs/dbraw/zinc/24/66/42/351246642.db2.gz WBRBHACETVDIGV-UHFFFAOYSA-N -1 1 265.240 2.523 20 0 CFADMM CC(C)CCO[C@@H](C)C(=O)Nc1c([O-])cccc1F ZINC000605438201 351246680 /nfs/dbraw/zinc/24/66/80/351246680.db2.gz CWBXPKUNVDJDQP-JTQLQIEISA-N -1 1 269.316 2.921 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)CSC(C)C)[nH][n-]2)s1 ZINC000604532967 351217892 /nfs/dbraw/zinc/21/78/92/351217892.db2.gz JEWMYYVNKUZPLV-UHFFFAOYSA-N -1 1 295.433 2.949 20 0 CFADMM O=C(CCC1CCOCC1)Nc1c([O-])cccc1F ZINC000608367504 351426944 /nfs/dbraw/zinc/42/69/44/351426944.db2.gz STZVTLDMGBZGJH-UHFFFAOYSA-N -1 1 267.300 2.677 20 0 CFADMM O=c1cc(C(F)F)nc(SC[C@@H]2CCC[C@@H](O)C2)[n-]1 ZINC000291664707 198056072 /nfs/dbraw/zinc/05/60/72/198056072.db2.gz PGIYIUDJCOQPCF-HTQZYQBOSA-N -1 1 290.335 2.763 20 0 CFADMM O=C(c1ncc2ccccc2c1[O-])N1C[C@@H]2CCC[C@@H]2C1 ZINC000612263500 351793541 /nfs/dbraw/zinc/79/35/41/351793541.db2.gz PLHSSFCPDCVJIM-BETUJISGSA-N -1 1 282.343 2.813 20 0 CFADMM CCC[C@@H](NC(=O)c1cccc(C(C)C)c1)c1nn[n-]n1 ZINC000612063034 351768156 /nfs/dbraw/zinc/76/81/56/351768156.db2.gz ZOWDUSUHYGTZEX-CYBMUJFWSA-N -1 1 287.367 2.594 20 0 CFADMM O=C(N[C@H](C1CC1)C(F)(F)F)c1c(F)ccc([O-])c1F ZINC000291713434 198067772 /nfs/dbraw/zinc/06/77/72/198067772.db2.gz GPVFLZXNZPFVKI-SNVBAGLBSA-N -1 1 295.207 2.741 20 0 CFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)CC(C)C ZINC000122115296 187016068 /nfs/dbraw/zinc/01/60/68/187016068.db2.gz HHVHGHXZECHXQA-SNVBAGLBSA-N -1 1 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352498204 /nfs/dbraw/zinc/49/82/04/352498204.db2.gz VCHNBUQXLFOYAQ-UHFFFAOYSA-N -1 1 284.315 2.624 20 0 CFADMM Cc1cc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c(C)[nH]1 ZINC000617365956 352551480 /nfs/dbraw/zinc/55/14/80/352551480.db2.gz NOHPHLWPUSUPLD-UHFFFAOYSA-N -1 1 286.360 2.757 20 0 CFADMM O=C(c1ncccc1[O-])N1CCCC2(CCCC2)CC1 ZINC000617563057 352586629 /nfs/dbraw/zinc/58/66/29/352586629.db2.gz CQBKJTNMCODBAO-UHFFFAOYSA-N -1 1 274.364 2.974 20 0 CFADMM C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])[C@@H]1CCO ZINC000618002739 352694029 /nfs/dbraw/zinc/69/40/29/352694029.db2.gz JBUSCJVFFHOTIO-ZWNOBZJWSA-N -1 1 297.782 2.669 20 0 CFADMM CC[C@@H](C)CO[N-]C(=O)Cc1c(F)cccc1F ZINC000292211630 198203024 /nfs/dbraw/zinc/20/30/24/198203024.db2.gz YOHVEERWCZNAOR-SECBINFHSA-N -1 1 257.280 2.601 20 0 CFADMM CC1(C)[C@@H](CNC(=O)c2cc(F)ccc2[O-])C1(F)F ZINC000619390367 353013589 /nfs/dbraw/zinc/01/35/89/353013589.db2.gz YYKHYJQRQYQZSE-SNVBAGLBSA-N -1 1 273.254 2.552 20 0 CFADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])[C@H]1c1ccccc1 ZINC000153914676 188111774 /nfs/dbraw/zinc/11/17/74/188111774.db2.gz GDEVMXZISIDZMA-IAQYHMDHSA-N -1 1 268.316 2.620 20 0 CFADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])[C@H](c2ccco2)C1 ZINC000153928437 188112207 /nfs/dbraw/zinc/11/22/07/188112207.db2.gz BBHGEAXTDPOSKX-RYUDHWBXSA-N -1 1 286.331 2.994 20 0 CFADMM C[C@H](N(C)C(=O)c1ccc([O-])cc1F)C1(C)CC1 ZINC000154976671 188174153 /nfs/dbraw/zinc/17/41/53/188174153.db2.gz NMAARDQADWEPPX-VIFPVBQESA-N -1 1 251.301 2.792 20 0 CFADMM COCC1(NC(=O)c2ccc([O-])cc2F)CCCCC1 ZINC000621022001 353261828 /nfs/dbraw/zinc/26/18/28/353261828.db2.gz BVPNAPUNAMYBRN-UHFFFAOYSA-N -1 1 281.327 2.610 20 0 CFADMM CCCCS(=O)(=O)[N-][C@@H](C(F)F)C1CCCCC1 ZINC000621323281 353322784 /nfs/dbraw/zinc/32/27/84/353322784.db2.gz YJOGYENFKAYDDR-LLVKDONJSA-N -1 1 283.384 2.920 20 0 CFADMM CO[C@H]1CCC[C@@H]1Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000292774285 198406174 /nfs/dbraw/zinc/40/61/74/198406174.db2.gz XSRQQBNXDCCGEO-QWRGUYRKSA-N -1 1 266.366 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269.357 2.530 20 0 CFADMM CC1(C)CC(=O)CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000628682271 354651500 /nfs/dbraw/zinc/65/15/00/354651500.db2.gz JBLHBOQFVWNAKB-UHFFFAOYSA-N -1 1 297.301 2.502 20 0 CFADMM CCC(F)(F)CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000628845510 354693575 /nfs/dbraw/zinc/69/35/75/354693575.db2.gz FVNFFSNXAVADDT-UHFFFAOYSA-N -1 1 293.697 2.829 20 0 CFADMM CO[C@@H](C(=O)Nc1cccc(F)c1[O-])C1CCCC1 ZINC000628959982 354706737 /nfs/dbraw/zinc/70/67/37/354706737.db2.gz GYMAOZBKEIWSFF-CYBMUJFWSA-N -1 1 267.300 2.675 20 0 CFADMM CC(=O)CCC(C)(C)C(=O)Nc1cccc(F)c1[O-] ZINC000628960706 354707728 /nfs/dbraw/zinc/70/77/28/354707728.db2.gz RXCSDSQMBGXFKY-UHFFFAOYSA-N -1 1 267.300 2.865 20 0 CFADMM C[C@@H]1C[C@@H]1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000629123259 354750658 /nfs/dbraw/zinc/75/06/58/354750658.db2.gz IKJBPNOVUHQKIY-NXEZZACHSA-N -1 1 280.393 2.812 20 0 CFADMM Cc1nc(SCc2ccc(N(C)C)nc2)[n-]c(=O)c1C ZINC000629170796 354764047 /nfs/dbraw/zinc/76/40/47/354764047.db2.gz YXEJVQDJGUCCRA-UHFFFAOYSA-N -1 1 290.392 2.552 20 0 CFADMM Cc1nc(CSc2nc(C3CC3)cc(=O)[n-]2)c(C)o1 ZINC000629174462 354764951 /nfs/dbraw/zinc/76/49/51/354764951.db2.gz CUNDTOLERLGROA-UHFFFAOYSA-N -1 1 277.349 2.957 20 0 CFADMM O=C([O-])c1ccc(F)c2c1CN(CC1=CCCC1)CC2 ZINC000629367929 354790313 /nfs/dbraw/zinc/79/03/13/354790313.db2.gz LCNLQSQGKWMDAT-UHFFFAOYSA-N -1 1 275.323 2.992 20 0 CFADMM O=C([O-])[C@@H]1CCN(Cc2ncc(C3CC3)o2)[C@@H]2CCC[C@@H]21 ZINC000629375265 354792948 /nfs/dbraw/zinc/79/29/48/354792948.db2.gz YYTWYVCDIOPWHI-JHJVBQTASA-N -1 1 290.363 2.627 20 0 CFADMM CC(C)(CCN1CCOc2cc(F)ccc2C1)CC(=O)[O-] ZINC000629375530 354794123 /nfs/dbraw/zinc/79/41/23/354794123.db2.gz HXJCUWYYHGFLRL-UHFFFAOYSA-N -1 1 295.354 2.911 20 0 CFADMM CC(C)[C@@H](C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629376968 354794849 /nfs/dbraw/zinc/79/48/49/354794849.db2.gz DIJGUUXVMXYOCS-LLVKDONJSA-N -1 1 273.336 2.809 20 0 CFADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1(CCF)CC1 ZINC000629380419 354796896 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ZINC000331892504 204268216 /nfs/dbraw/zinc/26/82/16/204268216.db2.gz ARFSZKDIBPDVSI-MNOVXSKESA-N -1 1 262.353 2.826 20 0 CFADMM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000333170308 205088552 /nfs/dbraw/zinc/08/85/52/205088552.db2.gz PPEUMHPXSGLUPN-GHMZBOCLSA-N -1 1 288.438 2.617 20 0 CFADMM CC(=O)c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1C ZINC000677639949 541883407 /nfs/dbraw/zinc/88/34/07/541883407.db2.gz OCWIALZTJJMHNI-UHFFFAOYSA-N -1 1 285.299 2.861 20 0 CFADMM O=C([O-])C[C@H]1CCCN1Cc1c(F)cccc1Cl ZINC000042162837 372879474 /nfs/dbraw/zinc/87/94/74/372879474.db2.gz VAHDDRZVFAWGEI-SECBINFHSA-N -1 1 271.719 2.918 20 0 CFADMM CC(C)[C@@H]1N(C(=O)c2ncccc2[O-])CC12CCCC2 ZINC000333304271 205201964 /nfs/dbraw/zinc/20/19/64/205201964.db2.gz CLOJJQXWINCCEP-AWEZNQCLSA-N -1 1 274.364 2.828 20 0 CFADMM Cc1ccc(-c2nc(CN(C)CCCC(=O)[O-])co2)cc1 ZINC000042717822 372950656 /nfs/dbraw/zinc/95/06/56/372950656.db2.gz SXQRMYNLMHBSCE-UHFFFAOYSA-N -1 1 288.347 2.947 20 0 CFADMM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ncccc1[O-] ZINC000571364048 383687621 /nfs/dbraw/zinc/68/76/21/383687621.db2.gz LTKLYHURHORPBE-AULYBMBSSA-N -1 1 286.306 2.602 20 0 CFADMM COc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000047367550 373090152 /nfs/dbraw/zinc/09/01/52/373090152.db2.gz QAQYXISKZYXREF-UHFFFAOYSA-N -1 1 299.298 2.774 20 0 CFADMM O=C(NCc1nccs1)c1ccc2ccccc2c1[O-] ZINC000048353355 373169539 /nfs/dbraw/zinc/16/95/39/373169539.db2.gz UMXNSTIBLRKRGM-UHFFFAOYSA-N -1 1 284.340 2.932 20 0 CFADMM CSc1ccccc1[N-]C(=O)c1csnn1 ZINC000048685216 373214050 /nfs/dbraw/zinc/21/40/50/373214050.db2.gz CCOMDKIFRQKZIN-UHFFFAOYSA-N -1 1 251.336 2.512 20 0 CFADMM COc1ccc(-c2nc(=O)c3sccc3[n-]2)cc1OC ZINC000048603526 373205930 /nfs/dbraw/zinc/20/59/30/373205930.db2.gz OJIFXCIDLMPZJV-UHFFFAOYSA-N -1 1 288.328 2.669 20 0 CFADMM O=C([O-])[C@H](NCc1cc(F)ccc1F)c1ccccc1 ZINC000050509500 373378721 /nfs/dbraw/zinc/37/87/21/373378721.db2.gz WRXBVFDCHBFJSQ-CQSZACIVSA-N -1 1 277.270 2.880 20 0 CFADMM CCN(Cc1cc(C(=O)[O-])co1)Cc1ccccc1 ZINC000051330309 373392345 /nfs/dbraw/zinc/39/23/45/373392345.db2.gz DGCLFDNXOFCXQJ-UHFFFAOYSA-N -1 1 259.305 3.000 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000529421787 383690934 /nfs/dbraw/zinc/69/09/34/383690934.db2.gz QBVBZNCMUZZSAK-NWDGAFQWSA-N -1 1 289.310 2.695 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](C)Cc1ccccc1C ZINC000529422117 383690879 /nfs/dbraw/zinc/69/08/79/383690879.db2.gz SUCMEKOJELONLO-JTQLQIEISA-N -1 1 273.336 2.549 20 0 CFADMM COc1ccc(C(=O)Nc2ccc(C)c(O)c2)c([O-])c1 ZINC000070332591 374166307 /nfs/dbraw/zinc/16/63/07/374166307.db2.gz TUKASYBRVNPXLC-UHFFFAOYSA-N -1 1 273.288 2.667 20 0 CFADMM Cc1oc(CN2C[C@@H](C)S[C@@H](C)C2)cc1C(=O)[O-] ZINC000070383927 374170466 /nfs/dbraw/zinc/17/04/66/374170466.db2.gz WBQWQYFZQUFYHA-DTORHVGOSA-N -1 1 269.366 2.612 20 0 CFADMM COc1ccccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000074403967 374419922 /nfs/dbraw/zinc/41/99/22/374419922.db2.gz ACPYJJAZLPJJFC-HNNXBMFYSA-N -1 1 289.306 2.750 20 0 CFADMM O=C(/C=C/c1ccncc1)Nc1ccc(F)cc1[O-] ZINC000492285708 246246070 /nfs/dbraw/zinc/24/60/70/246246070.db2.gz AHJAOZYVNNOCAY-DAFODLJHSA-N -1 1 258.252 2.578 20 0 CFADMM CCOC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000081482390 374701802 /nfs/dbraw/zinc/70/18/02/374701802.db2.gz MQIDLUSEWUFPBZ-SNVBAGLBSA-N -1 1 283.755 2.544 20 0 CFADMM CSCC[N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000571529427 383703087 /nfs/dbraw/zinc/70/30/87/383703087.db2.gz ILHRSZAPQQSIAZ-UHFFFAOYSA-N -1 1 273.785 2.833 20 0 CFADMM CSCCN(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000571529427 383703091 /nfs/dbraw/zinc/70/30/91/383703091.db2.gz ILHRSZAPQQSIAZ-UHFFFAOYSA-N -1 1 273.785 2.833 20 0 CFADMM CCc1onc(C)c1[N-]C(=O)c1ccc(C(=O)OC)s1 ZINC000089447821 374907460 /nfs/dbraw/zinc/90/74/60/374907460.db2.gz XWVFAZPEXMZUSN-UHFFFAOYSA-N -1 1 294.332 2.646 20 0 CFADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)ccc2[O-])C1(C)C ZINC000091730990 375060207 /nfs/dbraw/zinc/06/02/07/375060207.db2.gz HSCXFIBHFQKWSN-ZIAGYGMSSA-N -1 1 295.354 2.807 20 0 CFADMM Cc1csc(C(C)(C)NC(=O)c2cc(F)ccc2[O-])n1 ZINC000094153099 375343119 /nfs/dbraw/zinc/34/31/19/375343119.db2.gz FFZMSHIFRFRLLG-UHFFFAOYSA-N -1 1 294.351 2.961 20 0 CFADMM COC(=O)[C@H](CC(C)C)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000506431478 247159440 /nfs/dbraw/zinc/15/94/40/247159440.db2.gz HEVUTIUYSWMZGT-NSHDSACASA-N -1 1 296.392 2.739 20 0 CFADMM Cc1[nH]c2ccccc2c1CCNC(=O)c1cncc([O-])c1 ZINC000111596571 375856348 /nfs/dbraw/zinc/85/63/48/375856348.db2.gz MHELZDVPIUODPI-UHFFFAOYSA-N -1 1 295.342 2.549 20 0 CFADMM CC[C@H](NC(=O)c1cncc([O-])c1)c1nc2ccccc2[nH]1 ZINC000111598512 375856558 /nfs/dbraw/zinc/85/65/58/375856558.db2.gz PRRCQXADXFHCDA-LBPRGKRZSA-N -1 1 296.330 2.545 20 0 CFADMM O=C(c1ncccc1[O-])N1CCCC2(CCCCC2)C1 ZINC000111660100 375861442 /nfs/dbraw/zinc/86/14/42/375861442.db2.gz DVJZEFBUZNHMQJ-UHFFFAOYSA-N -1 1 274.364 2.974 20 0 CFADMM C[C@H](c1cccs1)N(C)C(=O)c1cncc([O-])c1 ZINC000111739527 375867373 /nfs/dbraw/zinc/86/73/73/375867373.db2.gz JFALKBYBQBHAHW-SECBINFHSA-N -1 1 262.334 2.682 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC(c2ccccc2)CC1 ZINC000111775568 375869243 /nfs/dbraw/zinc/86/92/43/375869243.db2.gz AOBKHWQGLQVZBD-UHFFFAOYSA-N -1 1 282.343 2.807 20 0 CFADMM O=C([O-])CCCN(Cc1c(F)cccc1F)C1CC1 ZINC000262360107 190053764 /nfs/dbraw/zinc/05/37/64/190053764.db2.gz CLOSNMDWPJUIRJ-UHFFFAOYSA-N -1 1 269.291 2.794 20 0 CFADMM CCc1ccc([C@@H]2CN(CCCCC(=O)[O-])CCO2)cc1 ZINC000263579587 190069750 /nfs/dbraw/zinc/06/97/50/190069750.db2.gz UXUXJAUJZYYGHL-INIZCTEOSA-N -1 1 291.391 2.877 20 0 CFADMM Cc1ccccc1-c1noc([C@H](C)N(C)CCC(=O)[O-])n1 ZINC000262667916 190060079 /nfs/dbraw/zinc/06/00/79/190060079.db2.gz QFRRAMXEKNOHFP-NSHDSACASA-N -1 1 289.335 2.513 20 0 CFADMM CCCO[N-]C(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000529509970 383714154 /nfs/dbraw/zinc/71/41/54/383714154.db2.gz VXAVXNPSSCIGGU-CQSZACIVSA-N -1 1 296.798 2.762 20 0 CFADMM CN(C(=O)c1ccc(Br)c([O-])c1)C1CCC1 ZINC000120968110 376734033 /nfs/dbraw/zinc/73/40/33/376734033.db2.gz QIGOWPRQFCKDEL-UHFFFAOYSA-N -1 1 284.153 2.779 20 0 CFADMM Cc1nc(S[C@@H]2CCCCCC2=O)[n-]c(=O)c1C ZINC000679009056 542108777 /nfs/dbraw/zinc/10/87/77/542108777.db2.gz HFIDBZHKOMRZIF-LLVKDONJSA-N -1 1 266.366 2.793 20 0 CFADMM Cc1c(C(=O)Nc2ccncc2[O-])cnn1CCC(C)C ZINC000123730802 376971748 /nfs/dbraw/zinc/97/17/48/376971748.db2.gz OAYHOICNCYHYTA-UHFFFAOYSA-N -1 1 288.351 2.591 20 0 CFADMM CCc1cccc(CC(=O)Nc2nc(-c3ccco3)n[nH]2)c1 ZINC000123671239 376966839 /nfs/dbraw/zinc/96/68/39/376966839.db2.gz IWHMBKOHQVITOF-UHFFFAOYSA-N -1 1 296.330 2.808 20 0 CFADMM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1sccc1Cl ZINC000451829009 383719606 /nfs/dbraw/zinc/71/96/06/383719606.db2.gz SYOBQKWNWSCCGZ-SFYZADRCSA-N -1 1 279.814 2.726 20 0 CFADMM COc1ccccc1[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000126007081 377206416 /nfs/dbraw/zinc/20/64/16/377206416.db2.gz ZMWGJDRDUDBUFP-ZDUSSCGKSA-N -1 1 298.342 2.773 20 0 CFADMM C[C@@]1(CNC(=O)c2c([O-])cccc2F)CCCS1 ZINC000129398069 377421953 /nfs/dbraw/zinc/42/19/53/377421953.db2.gz FVBFVTWNWUAVQX-ZDUSSCGKSA-N -1 1 269.341 2.547 20 0 CFADMM COCc1ccsc1C(=O)Nc1c([O-])cccc1F ZINC000679315157 542161932 /nfs/dbraw/zinc/16/19/32/542161932.db2.gz YYCOAYYUBYTWLE-UHFFFAOYSA-N -1 1 281.308 2.992 20 0 CFADMM NC(=O)[C@@H]([N-]c1nc2ccccc2o1)c1ccc(F)cc1 ZINC000129659297 377456133 /nfs/dbraw/zinc/45/61/33/377456133.db2.gz SUJIQNPANDHURZ-ZDUSSCGKSA-N -1 1 285.278 2.605 20 0 CFADMM NC(=O)c1cc(-c2csc(C3CCC3)n2)ccc1[O-] ZINC000130413373 377554777 /nfs/dbraw/zinc/55/47/77/377554777.db2.gz QCPHAECKRYISBT-UHFFFAOYSA-N -1 1 274.345 2.882 20 0 CFADMM Cc1cc(C)n(-c2ccccc2C[N-]C(=O)C(F)(F)F)n1 ZINC000131800822 377761050 /nfs/dbraw/zinc/76/10/50/377761050.db2.gz NQFHWRGCGRFSTJ-UHFFFAOYSA-N -1 1 297.280 2.668 20 0 CFADMM CC(C)[N@@H+](C)CC(=O)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000134215769 377993798 /nfs/dbraw/zinc/99/37/98/377993798.db2.gz XPMHDZKYSYMCIH-UHFFFAOYSA-N -1 1 290.285 2.690 20 0 CFADMM CC(C)([N-]S(=O)(=O)c1cccc(F)c1F)C1CCC1 ZINC000451866229 383728124 /nfs/dbraw/zinc/72/81/24/383728124.db2.gz LNBFYCIBQKHBTH-UHFFFAOYSA-N -1 1 289.347 2.822 20 0 CFADMM C[C@H]1OCCN(C(=O)c2ccc3ccccc3c2[O-])[C@H]1C ZINC000150967843 378283777 /nfs/dbraw/zinc/28/37/77/378283777.db2.gz WNPBAEOXOKCAFX-NWDGAFQWSA-N -1 1 285.343 2.795 20 0 CFADMM CC1(C)C[C@H](NC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000148580131 378257564 /nfs/dbraw/zinc/25/75/64/378257564.db2.gz WBFSUPLXGZWJMI-SNVBAGLBSA-N -1 1 283.755 2.733 20 0 CFADMM C[C@@H]1C[C@H]1c1cc(NC(=O)c2ccc([O-])cc2F)n[nH]1 ZINC000162825846 542237808 /nfs/dbraw/zinc/23/78/08/542237808.db2.gz LHINTVUXCAXTEB-GMSGAONNSA-N -1 1 275.283 2.630 20 0 CFADMM Cc1noc(C2CC2)c1NC(=O)c1ccc(O)cc1[O-] ZINC000152935591 378461093 /nfs/dbraw/zinc/46/10/93/378461093.db2.gz SQSWUDZOSUGIFN-UHFFFAOYSA-N -1 1 274.276 2.524 20 0 CFADMM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2ccc([O-])cc2F)n[nH]1 ZINC000162825594 542238170 /nfs/dbraw/zinc/23/81/70/542238170.db2.gz LHINTVUXCAXTEB-XCBNKYQSSA-N -1 1 275.283 2.630 20 0 CFADMM O=C(Nc1cccnc1OCC(F)F)c1ccccc1[O-] ZINC000153384582 378487925 /nfs/dbraw/zinc/48/79/25/378487925.db2.gz BPPMUCDSSPMHHM-UHFFFAOYSA-N -1 1 294.257 2.683 20 0 CFADMM CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1O ZINC000153598557 378498403 /nfs/dbraw/zinc/49/84/03/378498403.db2.gz BALMNJOVCVIJIX-LBPRGKRZSA-N -1 1 282.771 2.859 20 0 CFADMM Cc1nc(S(=O)(=O)[N-][C@H](C)CCC2CC2)sc1C ZINC000329907521 378512439 /nfs/dbraw/zinc/51/24/39/378512439.db2.gz TUIWEDLRJAIJAH-MRVPVSSYSA-N -1 1 288.438 2.617 20 0 CFADMM C[C@H](NC(=O)c1ncccc1[O-])c1cccc(F)c1F ZINC000153844971 378516207 /nfs/dbraw/zinc/51/62/07/378516207.db2.gz PJSYBCKSHKOONA-QMMMGPOBSA-N -1 1 278.258 2.556 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC[C@H](C)C2)c1 ZINC000331250407 378657580 /nfs/dbraw/zinc/65/75/80/378657580.db2.gz YWOSLLBIHFGECB-WDEREUQCSA-N -1 1 291.347 2.944 20 0 CFADMM O=c1[nH]c([C@@H]2CCCCS2)nc2cc(F)c([O-])cc12 ZINC000333167193 378818076 /nfs/dbraw/zinc/81/80/76/378818076.db2.gz MZWUYEJNTHMFMC-NSHDSACASA-N -1 1 280.324 2.726 20 0 CFADMM C[C@@H]1CCC(=O)[C@H](Sc2nc(C3CC3)cc(=O)[n-]2)C1 ZINC000333681363 378844671 /nfs/dbraw/zinc/84/46/71/378844671.db2.gz LHWQGYYVYFRZMW-PRHODGIISA-N -1 1 278.377 2.909 20 0 CFADMM Cc1nc([C@@H](C)N=c2nc(C3CCCCC3)[n-]s2)n[nH]1 ZINC000333763394 378855889 /nfs/dbraw/zinc/85/58/89/378855889.db2.gz CZALVWGOWKIRTL-MRVPVSSYSA-N -1 1 292.412 2.607 20 0 CFADMM CCC[C@@H](C(=O)Nc1cc(-c2nccn2C)n[nH]1)C(C)C ZINC000161697066 378865039 /nfs/dbraw/zinc/86/50/39/378865039.db2.gz YPTJGNRVVSTNIM-LLVKDONJSA-N -1 1 289.383 2.821 20 0 CFADMM O=C(NCc1c(F)cc(F)cc1F)c1ccc([O-])cc1F ZINC000334194102 378907893 /nfs/dbraw/zinc/90/78/93/378907893.db2.gz JKFSJEKYLWGNMC-UHFFFAOYSA-N -1 1 299.223 2.879 20 0 CFADMM CN(C(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCCOC1 ZINC000334224253 378948287 /nfs/dbraw/zinc/94/82/87/378948287.db2.gz XNWBVKWKESSASR-CYBMUJFWSA-N -1 1 285.343 2.796 20 0 CFADMM O=C(NCc1cccc(F)c1)c1c(F)ccc([O-])c1F ZINC000334232137 378958227 /nfs/dbraw/zinc/95/82/27/378958227.db2.gz VSCOZZOHAWMODQ-UHFFFAOYSA-N -1 1 281.233 2.740 20 0 CFADMM C[C@@H]1COCC[C@@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000278588774 194058441 /nfs/dbraw/zinc/05/84/41/194058441.db2.gz QJOLQAMLVAZTKO-ABAIWWIYSA-N -1 1 285.343 2.700 20 0 CFADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1cccnc1 ZINC000334323859 379093718 /nfs/dbraw/zinc/09/37/18/379093718.db2.gz JXYGQXMZLHUCIG-QMMMGPOBSA-N -1 1 278.258 2.556 20 0 CFADMM COc1cc(C(=O)N2CC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000334387254 379208587 /nfs/dbraw/zinc/20/85/87/379208587.db2.gz OUBHMXKCGMAZGI-MRVPVSSYSA-N -1 1 269.728 2.536 20 0 CFADMM CCOc1cc(C(=O)N[C@H](C)C2CC2)cc(Cl)c1[O-] ZINC000171007523 379209201 /nfs/dbraw/zinc/20/92/01/379209201.db2.gz USPFPSONWWGBFS-MRVPVSSYSA-N -1 1 283.755 2.973 20 0 CFADMM C[C@H]1CCC[C@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000334401099 379234532 /nfs/dbraw/zinc/23/45/32/379234532.db2.gz FKQJZHAUWCJRQF-IONNQARKSA-N -1 1 255.264 2.589 20 0 CFADMM O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ncccc1[O-] ZINC000171242326 379261328 /nfs/dbraw/zinc/26/13/28/379261328.db2.gz VYMYGYBAPBEGQD-DTWKUNHWSA-N -1 1 288.269 2.638 20 0 CFADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000171328932 379284191 /nfs/dbraw/zinc/28/41/91/379284191.db2.gz LKAPKGZEIQLKJR-UHFFFAOYSA-N -1 1 291.372 2.942 20 0 CFADMM O=C(NCc1cc(F)cc(F)c1)c1c(F)ccc([O-])c1F ZINC000334450357 379320760 /nfs/dbraw/zinc/32/07/60/379320760.db2.gz KYYHFWREZACINR-UHFFFAOYSA-N -1 1 299.223 2.879 20 0 CFADMM Cc1ccoc1CN(C)C(=O)c1cc(F)ccc1[O-] ZINC000334446816 379314715 /nfs/dbraw/zinc/31/47/15/379314715.db2.gz LEIYWSPIWCPZES-UHFFFAOYSA-N -1 1 263.268 2.705 20 0 CFADMM C[C@@H]1CCn2ncc(C(=O)Nc3ccc(F)cc3[O-])c2C1 ZINC000335485515 379383408 /nfs/dbraw/zinc/38/34/08/379383408.db2.gz LHAXEZFWVNBRLX-SECBINFHSA-N -1 1 289.310 2.562 20 0 CFADMM Cc1ccc(SCCNC(=O)c2cncc([O-])c2)cc1 ZINC000171764163 379397019 /nfs/dbraw/zinc/39/70/19/379397019.db2.gz DJFZYHLUFPKFGJ-UHFFFAOYSA-N -1 1 288.372 2.618 20 0 CFADMM COc1ccc([C@@H]2CCCN2C(=O)c2cncc([O-])c2)cc1 ZINC000171909831 379435035 /nfs/dbraw/zinc/43/50/35/379435035.db2.gz YAKALSNZMPUJLD-INIZCTEOSA-N -1 1 298.342 2.773 20 0 CFADMM O=C(C(=O)N1CC[C@H](C2CCCC2)C1)c1ccc([O-])cc1 ZINC000335498167 379404565 /nfs/dbraw/zinc/40/45/65/379404565.db2.gz FCHLGNPAVVKNSO-AWEZNQCLSA-N -1 1 287.359 2.614 20 0 CFADMM CCO[C@@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C[C@@H]1C ZINC000334546319 379500083 /nfs/dbraw/zinc/50/00/83/379500083.db2.gz TVUPKTUNBLZRRY-JOYOIKCWSA-N -1 1 299.317 2.558 20 0 CFADMM Cc1ccc(NC(=O)c2cncc([O-])c2)cc1OC(F)F ZINC000172208490 379519149 /nfs/dbraw/zinc/51/91/49/379519149.db2.gz NNVOQTQVVMNWAN-UHFFFAOYSA-N -1 1 294.257 2.949 20 0 CFADMM C[C@@H]1CCCN(Cc2cc(F)c(F)c(F)c2)[C@H]1C(=O)[O-] ZINC000334578308 379566436 /nfs/dbraw/zinc/56/64/36/379566436.db2.gz ISPFLXXNMLSHSN-AMIZOPFISA-N -1 1 287.281 2.789 20 0 CFADMM C[C@H]1CCCN(Cc2cc(F)c(F)c(F)c2)[C@H]1C(=O)[O-] ZINC000334578311 379566864 /nfs/dbraw/zinc/56/68/64/379566864.db2.gz ISPFLXXNMLSHSN-ISVAXAHUSA-N -1 1 287.281 2.789 20 0 CFADMM CCC[C@@H](C)c1cc(NC(=O)c2cncc([O-])c2)n[nH]1 ZINC000173339851 379727757 /nfs/dbraw/zinc/72/77/57/379727757.db2.gz RXUSSSIXMZMWGM-SECBINFHSA-N -1 1 274.324 2.666 20 0 CFADMM Cc1cnc(C(=O)N(C)[C@@H](C)c2ccco2)c([O-])c1 ZINC000334707551 379800863 /nfs/dbraw/zinc/80/08/63/379800863.db2.gz HBISYFHXJHWCLA-JTQLQIEISA-N -1 1 260.293 2.522 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2C)cc1 ZINC000334708635 379802706 /nfs/dbraw/zinc/80/27/06/379802706.db2.gz UQANAXQFKNXXNP-UHFFFAOYSA-N -1 1 276.361 2.808 20 0 CFADMM CCCCO[C@H]1C[C@H](NC(=O)c2cncc([O-])c2)C1(C)C ZINC000174927607 379963455 /nfs/dbraw/zinc/96/34/55/379963455.db2.gz IGXOLURUXKKYIK-KBPBESRZSA-N -1 1 292.379 2.501 20 0 CFADMM CC(F)(F)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000335213767 380018664 /nfs/dbraw/zinc/01/86/64/380018664.db2.gz BQRWUTMXYBKEOV-UHFFFAOYSA-N -1 1 251.179 2.654 20 0 CFADMM O=C(c1ncccc1[O-])N1CCC[C@@H](c2ccccc2)C1 ZINC000335887732 380055428 /nfs/dbraw/zinc/05/54/28/380055428.db2.gz YFMKRLBTIXWOSW-CQSZACIVSA-N -1 1 282.343 2.807 20 0 CFADMM Cc1ccc(F)c([N-]S(=O)(=O)c2ccoc2)c1 ZINC000335942527 380135952 /nfs/dbraw/zinc/13/59/52/380135952.db2.gz QSRFNZVQIDIMEW-UHFFFAOYSA-N -1 1 255.270 2.528 20 0 CFADMM O=C(c1cncc([O-])c1)N(Cc1cccc(O)c1)CC1CC1 ZINC000175648517 380106736 /nfs/dbraw/zinc/10/67/36/380106736.db2.gz KOTYUFVKYHTDGS-UHFFFAOYSA-N -1 1 298.342 2.545 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@@H](c2ccccc2)C1 ZINC000335961618 380164846 /nfs/dbraw/zinc/16/48/46/380164846.db2.gz GFPMEQYQKCEEMF-CQSZACIVSA-N -1 1 282.343 2.807 20 0 CFADMM COc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1 ZINC000176671154 380262232 /nfs/dbraw/zinc/26/22/32/380262232.db2.gz YHJPNHSGHBETSB-UHFFFAOYSA-N -1 1 295.335 2.944 20 0 CFADMM Cc1ccncc1CN(C)C(=O)c1c(F)ccc([O-])c1F ZINC000336001969 380221414 /nfs/dbraw/zinc/22/14/14/380221414.db2.gz CCKHRXISHRPJGO-UHFFFAOYSA-N -1 1 292.285 2.646 20 0 CFADMM CC(C)CC1(CNC(=O)c2cncc([O-])c2)CCC1 ZINC000176924199 380283243 /nfs/dbraw/zinc/28/32/43/380283243.db2.gz QBYCLSCVPVSGNS-UHFFFAOYSA-N -1 1 262.353 2.733 20 0 CFADMM CCCC[C@H](NC(=O)c1cncc([O-])c1)C1CCC1 ZINC000176931670 380284903 /nfs/dbraw/zinc/28/49/03/380284903.db2.gz VIIFQAFBUDXRTG-AWEZNQCLSA-N -1 1 262.353 2.876 20 0 CFADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccccc1C ZINC000336503298 380376778 /nfs/dbraw/zinc/37/67/78/380376778.db2.gz OJZDPWGXJCMQIR-UHFFFAOYSA-N -1 1 291.372 2.597 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCc2cc(F)ccc21 ZINC000336520762 380403987 /nfs/dbraw/zinc/40/39/87/380403987.db2.gz YBBQQEWYYCYBCZ-UHFFFAOYSA-N -1 1 275.254 2.873 20 0 CFADMM C[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])CC1(F)F ZINC000336572730 380486670 /nfs/dbraw/zinc/48/66/70/380486670.db2.gz IVCHLDKYPWGPMR-MRVPVSSYSA-N -1 1 273.254 2.649 20 0 CFADMM CC(C)n1cnc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000336575279 380490613 /nfs/dbraw/zinc/49/06/13/380490613.db2.gz HZYCDUILTNQNAV-UHFFFAOYSA-N -1 1 263.272 2.561 20 0 CFADMM Cc1c(C(=O)Nc2ccc(F)cc2[O-])cnn1C(C)C ZINC000336577363 380493541 /nfs/dbraw/zinc/49/35/41/380493541.db2.gz GZSZRBBZZNXCLZ-UHFFFAOYSA-N -1 1 277.299 2.869 20 0 CFADMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccccc1)OCO2 ZINC000180358742 380647918 /nfs/dbraw/zinc/64/79/18/380647918.db2.gz UXLMREZOZDCUMP-UHFFFAOYSA-N -1 1 291.328 2.525 20 0 CFADMM CC(C)(C)c1ncc(NC(=O)c2ccc([O-])cc2F)cn1 ZINC000181180149 380753092 /nfs/dbraw/zinc/75/30/92/380753092.db2.gz HVIHYCZYMAEONS-UHFFFAOYSA-N -1 1 289.310 2.871 20 0 CFADMM O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1ccc([O-])cc1F ZINC000181216438 380759891 /nfs/dbraw/zinc/75/98/91/380759891.db2.gz AYQAUWUMSRWDAD-UHFFFAOYSA-N -1 1 298.277 2.569 20 0 CFADMM O=C(NCCc1c[nH]c2ccccc12)c1ccc([O-])cc1F ZINC000181036537 380727733 /nfs/dbraw/zinc/72/77/33/380727733.db2.gz HQIZXGKQHQZHRY-UHFFFAOYSA-N -1 1 298.317 2.985 20 0 CFADMM COc1ccc(NC(=O)c2ccc([O-])cc2F)cc1OC ZINC000181055506 380730264 /nfs/dbraw/zinc/73/02/64/380730264.db2.gz WUZWHBMBLAEMDE-UHFFFAOYSA-N -1 1 291.278 2.801 20 0 CFADMM CC(C)n1nccc1NC(=O)c1ccc([O-])cc1F ZINC000181096375 380737764 /nfs/dbraw/zinc/73/77/64/380737764.db2.gz ISLRLXUKCDWNKJ-UHFFFAOYSA-N -1 1 263.272 2.561 20 0 CFADMM C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cccc(O)c1Cl ZINC000295422388 380843523 /nfs/dbraw/zinc/84/35/23/380843523.db2.gz SHSZLHGDYJCSIO-PWSUYJOCSA-N -1 1 269.772 2.781 20 0 CFADMM C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cccc(O)c1Cl ZINC000295422385 380844861 /nfs/dbraw/zinc/84/48/61/380844861.db2.gz SHSZLHGDYJCSIO-JQWIXIFHSA-N -1 1 269.772 2.781 20 0 CFADMM O=C(Nc1ccc2nccnc2c1)c1ccc([O-])cc1F ZINC000181892691 380929429 /nfs/dbraw/zinc/92/94/29/380929429.db2.gz DAGMZFCRBOOJAS-UHFFFAOYSA-N -1 1 283.262 2.727 20 0 CFADMM Cc1cnc(C(=O)NCCc2ccc(Cl)s2)c([O-])c1 ZINC000358634308 380982887 /nfs/dbraw/zinc/98/28/87/380982887.db2.gz RJJUULPTCGOBGI-UHFFFAOYSA-N -1 1 296.779 2.783 20 0 CFADMM Cc1cnc(C(=O)N[C@H](C)c2ccccc2)c([O-])c1 ZINC000358719537 381031334 /nfs/dbraw/zinc/03/13/34/381031334.db2.gz NGSIINFWVCAVAA-LLVKDONJSA-N -1 1 256.305 2.587 20 0 CFADMM Cc1cc(C)c2[nH]cc(C(=O)[N-]OC(C)C)c(=O)c2c1 ZINC000295775124 381067728 /nfs/dbraw/zinc/06/77/28/381067728.db2.gz XGYICCGCVYLEHG-UHFFFAOYSA-N -1 1 274.320 2.627 20 0 CFADMM CCCC1(CNC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000289652601 381085527 /nfs/dbraw/zinc/08/55/27/381085527.db2.gz CISLAZVXIICSTA-UHFFFAOYSA-N -1 1 269.291 2.981 20 0 CFADMM CC(C)=CCCNC(=O)c1c(F)ccc([O-])c1F ZINC000289688664 381104236 /nfs/dbraw/zinc/10/42/36/381104236.db2.gz BNKWAOZSYBEDSP-UHFFFAOYSA-N -1 1 255.264 2.757 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N(C1CC1)C1COC1 ZINC000295789376 381076196 /nfs/dbraw/zinc/07/61/96/381076196.db2.gz QUMBGJXHLFNJRJ-UHFFFAOYSA-N -1 1 283.327 2.549 20 0 CFADMM CC[C@@](C)(CCO)NC(=O)c1ccc2ccccc2c1[O-] ZINC000182780309 381156815 /nfs/dbraw/zinc/15/68/15/381156815.db2.gz LDJXUYYRUKWXHJ-KRWDZBQOSA-N -1 1 287.359 2.826 20 0 CFADMM O=C(Nc1ccncc1[O-])c1nc2ccccc2cc1Cl ZINC000354243814 381159900 /nfs/dbraw/zinc/15/99/00/381159900.db2.gz MJKIZYBBEADYSG-UHFFFAOYSA-N -1 1 299.717 2.663 20 0 CFADMM CCc1cc(=O)[n-]c(C[N@@H+](CC)[C@@H]2CCOC(C)(C)C2)n1 ZINC000290005365 381257255 /nfs/dbraw/zinc/25/72/55/381257255.db2.gz ZKAMTUUMTSOKPP-CYBMUJFWSA-N -1 1 293.411 2.524 20 0 CFADMM CSc1cccc(F)c1CNC(=O)c1cncc([O-])c1 ZINC000359105026 381268240 /nfs/dbraw/zinc/26/82/40/381268240.db2.gz KUOIRECDNBTWIQ-UHFFFAOYSA-N -1 1 292.335 2.578 20 0 CFADMM CC(C)ONC(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000296170638 381285680 /nfs/dbraw/zinc/28/56/80/381285680.db2.gz BKAMEYBMMNMONT-UHFFFAOYSA-N -1 1 278.337 2.667 20 0 CFADMM Cc1oc2ccccc2c1CNC(=O)c1cncc([O-])c1 ZINC000183858099 381330372 /nfs/dbraw/zinc/33/03/72/381330372.db2.gz YZTHZUUCSPPBTO-UHFFFAOYSA-N -1 1 282.299 2.772 20 0 CFADMM COc1ccc(C(=O)N2CCc3c2cccc3F)c([O-])c1 ZINC000183747752 381313003 /nfs/dbraw/zinc/31/30/03/381313003.db2.gz GMAVALZGGNBBAZ-UHFFFAOYSA-N -1 1 287.290 2.743 20 0 CFADMM C[C@@H]1C[C@@H](CNC(=O)c2ccc(Cl)cc2[O-])[C@H](C)O1 ZINC000412639398 381377820 /nfs/dbraw/zinc/37/78/20/381377820.db2.gz KFVQEDPPPNPREQ-UTLUCORTSA-N -1 1 283.755 2.589 20 0 CFADMM O=S(=O)(CCCCF)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000342463696 381343170 /nfs/dbraw/zinc/34/31/70/381343170.db2.gz FLVPYTVBSUYGSH-UHFFFAOYSA-N -1 1 289.376 2.559 20 0 CFADMM O=C(c1cncc([O-])c1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000354695260 381406569 /nfs/dbraw/zinc/40/65/69/381406569.db2.gz LYKPXEMPSJANIO-SNVBAGLBSA-N -1 1 294.310 2.508 20 0 CFADMM CC[C@@H]1CCC[C@H]1N=c1nc(C(F)(F)F)[n-]s1 ZINC000342544754 381387067 /nfs/dbraw/zinc/38/70/67/381387067.db2.gz QQLJASAPMHRYIN-RNFRBKRXSA-N -1 1 265.304 2.969 20 0 CFADMM CCOC(=O)c1cc(NC(=O)C2(CC)CCCCC2)n[nH]1 ZINC000184238008 381389966 /nfs/dbraw/zinc/38/99/66/381389966.db2.gz ZRAKKEJDUIAKMJ-UHFFFAOYSA-N -1 1 293.367 2.885 20 0 CFADMM Cc1ccnn1-c1ccccc1NC(=O)c1cncc([O-])c1 ZINC000354775806 381447306 /nfs/dbraw/zinc/44/73/06/381447306.db2.gz SQGAGYIDSVUYLU-UHFFFAOYSA-N -1 1 294.314 2.534 20 0 CFADMM [O-]c1ccc(-c2noc([C@@H]3CC3(F)F)n2)cc1F ZINC000296676057 381500945 /nfs/dbraw/zinc/50/09/45/381500945.db2.gz GFLGFXBKAFKTMP-LURJTMIESA-N -1 1 256.183 2.704 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cc2ccccc2c(=O)o1 ZINC000354968479 381542314 /nfs/dbraw/zinc/54/23/14/381542314.db2.gz AOSYFCCGYAVJPQ-UHFFFAOYSA-N -1 1 299.257 2.890 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1ccnc2ccncc21 ZINC000354977876 381546857 /nfs/dbraw/zinc/54/68/57/381546857.db2.gz MNQZUJLFTNDQBB-UHFFFAOYSA-N -1 1 283.262 2.727 20 0 CFADMM Cc1nc(SC[C@H]2CCC(C)(C)O2)[n-]c(=O)c1C ZINC000412998078 381529481 /nfs/dbraw/zinc/52/94/81/381529481.db2.gz ILEPQSVJRDOGMY-SNVBAGLBSA-N -1 1 268.382 2.849 20 0 CFADMM C[C@H]1C[C@@H]1CC(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000355029829 381572105 /nfs/dbraw/zinc/57/21/05/381572105.db2.gz VTLBDYRFVXFLHL-DTWKUNHWSA-N -1 1 291.301 2.761 20 0 CFADMM [O-]C(=NO[C@@H]1CCCCO1)Nc1nc(C2CC2)cs1 ZINC000185321099 381595718 /nfs/dbraw/zinc/59/57/18/381595718.db2.gz TWHLQGUIBPASJA-SNVBAGLBSA-N -1 1 283.353 2.600 20 0 CFADMM O=C([N-]O[C@@H]1CCCCO1)Nc1nc(C2CC2)cs1 ZINC000185321099 381595727 /nfs/dbraw/zinc/59/57/27/381595727.db2.gz TWHLQGUIBPASJA-SNVBAGLBSA-N -1 1 283.353 2.600 20 0 CFADMM COC1(CNC(=O)c2ccc([O-])cc2F)CCCCC1 ZINC000185476384 381644708 /nfs/dbraw/zinc/64/47/08/381644708.db2.gz FLHBWBXEZPAHKS-UHFFFAOYSA-N -1 1 281.327 2.610 20 0 CFADMM CCc1cnc(CNC(=O)c2c(F)ccc([O-])c2F)s1 ZINC000348733846 381687532 /nfs/dbraw/zinc/68/75/32/381687532.db2.gz FYZCNJZVOHDWCB-UHFFFAOYSA-N -1 1 298.314 2.619 20 0 CFADMM O=S(=O)([N-]C12CCC(CC1)C2)c1cccc(F)c1F ZINC000371745001 381690587 /nfs/dbraw/zinc/69/05/87/381690587.db2.gz VEFZDYXRZKRYKF-UHFFFAOYSA-N -1 1 287.331 2.576 20 0 CFADMM CCCC[C@H]1CCC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000348829559 381726588 /nfs/dbraw/zinc/72/65/88/381726588.db2.gz WFLGLRJOAGLQJT-FZMZJTMJSA-N -1 1 262.353 2.876 20 0 CFADMM C[C@@H](CNC(=O)c1cc(F)ccc1[O-])c1nccs1 ZINC000185961173 381787759 /nfs/dbraw/zinc/78/77/59/381787759.db2.gz JRHYAYVRTUVABK-QMMMGPOBSA-N -1 1 280.324 2.521 20 0 CFADMM Cc1cnc(C(=O)N[C@@H]2CCCc3c(O)cccc32)c([O-])c1 ZINC000360335302 381776282 /nfs/dbraw/zinc/77/62/82/381776282.db2.gz GLPPVKLCWORDHR-CYBMUJFWSA-N -1 1 298.342 2.609 20 0 CFADMM Cn1cc(-c2ccnc(/C=C/c3cc([O-])cc(F)c3)n2)cn1 ZINC000349106843 381824645 /nfs/dbraw/zinc/82/46/45/381824645.db2.gz ZXQFCXKTBBHKAV-NSCUHMNNSA-N -1 1 296.305 2.892 20 0 CFADMM Cc1csc(C(C)(C)NC(=O)c2c([O-])cccc2F)n1 ZINC000186571431 381950509 /nfs/dbraw/zinc/95/05/09/381950509.db2.gz KTDLDTRVMKMAET-UHFFFAOYSA-N -1 1 294.351 2.961 20 0 CFADMM Cc1cc2cc(CNC(=O)c3cncc([O-])c3)ccc2[nH]1 ZINC000344077179 382113170 /nfs/dbraw/zinc/11/31/70/382113170.db2.gz YRYKVZVFWXSSPD-UHFFFAOYSA-N -1 1 281.315 2.507 20 0 CFADMM CC(C)CCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000357342715 382120264 /nfs/dbraw/zinc/12/02/64/382120264.db2.gz IVHLPIHPVCSQGI-UHFFFAOYSA-N -1 1 295.326 2.818 20 0 CFADMM C/C=C/C[C@@H](CO)NC(=O)c1ccc2ccccc2c1[O-] ZINC000187173680 382120674 /nfs/dbraw/zinc/12/06/74/382120674.db2.gz FFBCBVRECNFEBM-IBUXWKBASA-N -1 1 285.343 2.602 20 0 CFADMM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000357347654 382124990 /nfs/dbraw/zinc/12/49/90/382124990.db2.gz VYHHEMBSLFSIBV-SFYZADRCSA-N -1 1 295.326 2.817 20 0 CFADMM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1cncc([O-])c1 ZINC000293731030 382253911 /nfs/dbraw/zinc/25/39/11/382253911.db2.gz ULDSLBPJHMEJFP-SNVBAGLBSA-N -1 1 284.306 2.733 20 0 CFADMM CCOC(=O)c1cnc(C(C)=Cc2ccccc2)[n-]c1=O ZINC000188021555 382326503 /nfs/dbraw/zinc/32/65/03/382326503.db2.gz CTCCIJLAHMXZSE-PKNBQFBNSA-N -1 1 284.315 2.507 20 0 CFADMM CCOC(=O)c1cnc(C(C)=Cc2ccsc2)[n-]c1=O ZINC000188022916 382327360 /nfs/dbraw/zinc/32/73/60/382327360.db2.gz RTKKMORURAPDDG-RMKNXTFCSA-N -1 1 290.344 2.569 20 0 CFADMM CCc1noc([C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)n1 ZINC000188129814 382350753 /nfs/dbraw/zinc/35/07/53/382350753.db2.gz QCSSPDJAWHMVAS-SSDOTTSWSA-N -1 1 292.364 2.858 20 0 CFADMM CCOC(=O)CCCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000188128954 382351055 /nfs/dbraw/zinc/35/10/55/382351055.db2.gz IXNHZULFWKBLLW-UHFFFAOYSA-N -1 1 296.392 2.885 20 0 CFADMM O=C(C[C@H]1C=CCC1)Nc1nc(Cl)ccc1[O-] ZINC000188357256 382397862 /nfs/dbraw/zinc/39/78/62/382397862.db2.gz SINGFUSIYSDPNH-QMMMGPOBSA-N -1 1 252.701 2.735 20 0 CFADMM CCOC(=O)[C@@H](C)[C@H](C)N=c1nc(C2CCCC2)[n-]s1 ZINC000420608339 382423362 /nfs/dbraw/zinc/42/33/62/382423362.db2.gz CZZPQRODBZOSBI-UWVGGRQHSA-N -1 1 297.424 2.617 20 0 CFADMM CN(C(=O)c1csc(=NC2CC2)[n-]1)[C@H]1CCC(C)(C)C1 ZINC000358060019 382434367 /nfs/dbraw/zinc/43/43/67/382434367.db2.gz JHNCAUIRCWXSFE-NSHDSACASA-N -1 1 293.436 2.790 20 0 CFADMM CC[C@H](C)C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000420698492 382449436 /nfs/dbraw/zinc/44/94/36/382449436.db2.gz AFVKJORFNUQCRD-VIFPVBQESA-N -1 1 285.340 2.896 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CC12CCOCC2 ZINC000378554044 382482278 /nfs/dbraw/zinc/48/22/78/382482278.db2.gz ALSXUDTZKAOFMD-SNVBAGLBSA-N -1 1 281.739 2.801 20 0 CFADMM Cc1nc(SCCCOCC(F)(F)F)[n-]c(=O)c1C ZINC000346713843 382486856 /nfs/dbraw/zinc/48/68/56/382486856.db2.gz HRMVBFLHWMXSAD-UHFFFAOYSA-N -1 1 296.314 2.860 20 0 CFADMM CCCCc1nnc([N-]C(=O)c2cc(C3CC3)on2)s1 ZINC000294313098 382505447 /nfs/dbraw/zinc/50/54/47/382505447.db2.gz YRUHIPAFUADIKQ-UHFFFAOYSA-N -1 1 292.364 2.998 20 0 CFADMM Cc1noc([C@H](C)NCc2cccc([O-])c2Cl)n1 ZINC000353169381 382510356 /nfs/dbraw/zinc/51/03/56/382510356.db2.gz OLZDPGBRVWHKST-ZETCQYMHSA-N -1 1 267.716 2.588 20 0 CFADMM CS[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000294437399 382514357 /nfs/dbraw/zinc/51/43/57/382514357.db2.gz QMVVMCWUWSXZFX-VIFPVBQESA-N -1 1 271.769 2.623 20 0 CFADMM CCOC(=O)C1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000294950899 382546441 /nfs/dbraw/zinc/54/64/41/382546441.db2.gz QBLZIXCLMDBQGA-UHFFFAOYSA-N -1 1 297.782 2.821 20 0 CFADMM CC(C)c1nc(=NC[C@@H](C)COCc2ccccc2)o[n-]1 ZINC000346871349 382552970 /nfs/dbraw/zinc/55/29/70/382552970.db2.gz MIZIGJATOZBXCA-CYBMUJFWSA-N -1 1 289.379 2.880 20 0 CFADMM O=C(N[C@@H](CO)C1CCCCC1)c1ccc(Cl)cc1[O-] ZINC000386120501 382583643 /nfs/dbraw/zinc/58/36/43/382583643.db2.gz MCWVNXBUUSGQIL-ZDUSSCGKSA-N -1 1 297.782 2.717 20 0 CFADMM C[C@H](C1CC1)n1cc(NC(=O)c2ccc([O-])cc2F)cn1 ZINC000189327883 382592683 /nfs/dbraw/zinc/59/26/83/382592683.db2.gz XTVBQPBJLGUGGD-SECBINFHSA-N -1 1 289.310 2.951 20 0 CFADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(-c2ccco2)on1 ZINC000397104293 382632831 /nfs/dbraw/zinc/63/28/31/382632831.db2.gz PNJGWKQKIFGVBG-WDEREUQCSA-N -1 1 290.319 2.620 20 0 CFADMM CCOCC(C)(C)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000388386959 382606406 /nfs/dbraw/zinc/60/64/06/382606406.db2.gz ULLPFUKOBVTFEQ-UHFFFAOYSA-N -1 1 285.771 2.838 20 0 CFADMM CC(C)c1nc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)cs1 ZINC000397502478 382633662 /nfs/dbraw/zinc/63/36/62/382633662.db2.gz SUBNNEAWRLCOEX-GHMZBOCLSA-N -1 1 282.409 2.952 20 0 CFADMM O=C(N[C@@H]1CCO[C@H]1C1CC1)c1cc2ccccc2cc1[O-] ZINC000389737363 382616473 /nfs/dbraw/zinc/61/64/73/382616473.db2.gz LDFWXZYKHLPSNC-WBVHZDCISA-N -1 1 297.354 2.843 20 0 CFADMM O=C([O-])c1csc(CN2CC[C@@H](c3ccccc3)C2)n1 ZINC000394483880 382627385 /nfs/dbraw/zinc/62/73/85/382627385.db2.gz GENYLOKPZCGXPO-GFCCVEGCSA-N -1 1 288.372 2.831 20 0 CFADMM CC(C)[C@H]1CCCCN1Cc1nc(C(=O)[O-])cs1 ZINC000395890257 382630565 /nfs/dbraw/zinc/63/05/65/382630565.db2.gz 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CFADMM Cc1[n-]n(-c2ncccc2C(F)(F)F)c(=O)c1C1CC1 ZINC000634589023 383250825 /nfs/dbraw/zinc/25/08/25/383250825.db2.gz MBMCWDNQDGBITC-SNVBAGLBSA-N -1 1 283.253 2.849 20 0 CFADMM Cc1[n-]n(-c2cccc3ncccc32)c(=O)c1C1CC1 ZINC000634590603 383251171 /nfs/dbraw/zinc/25/11/71/383251171.db2.gz DVLLNUDVFVJSLR-HNNXBMFYSA-N -1 1 265.316 2.984 20 0 CFADMM C[C@@H]1CCc2[n-]n(CCc3ccccc3)c(=O)c2C1 ZINC000634592252 383252186 /nfs/dbraw/zinc/25/21/86/383252186.db2.gz CXQFYDANASGUPE-OCCSQVGLSA-N -1 1 256.349 2.864 20 0 CFADMM CCc1c(=O)n(CCOC)[n-]c1-c1ccc(F)cc1Cl ZINC000634596455 383258534 /nfs/dbraw/zinc/25/85/34/383258534.db2.gz HDFXSHIOIQOKIA-SNVBAGLBSA-N -1 1 298.745 2.698 20 0 CFADMM CCCc1c(C)[n-]n(Cc2ccc(OC)cc2)c1=O ZINC000634597723 383259671 /nfs/dbraw/zinc/25/96/71/383259671.db2.gz SCGBBXOLNMENLT-AWEZNQCLSA-N -1 1 260.337 2.830 20 0 CFADMM O=c1c2c([n-]n1CCc1ccncc1)CCCCCC2 ZINC000634599154 383260229 /nfs/dbraw/zinc/26/02/29/383260229.db2.gz BRWCWIPBDPKLBY-AWEZNQCLSA-N -1 1 271.364 2.793 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3nnc(-c4ccccc4)s3)c(=O)c21 ZINC000634598605 383260430 /nfs/dbraw/zinc/26/04/30/383260430.db2.gz OPEXNOOAXFBLTH-SKDRFNHKSA-N -1 1 298.371 2.954 20 0 CFADMM C[C@@H]1CCc2[n-]n([C@H]3CCOC(C)(C)C3)c(=O)c2C1 ZINC000634621947 383281744 /nfs/dbraw/zinc/28/17/44/383281744.db2.gz UARRXIDITASSDY-WOPDTQHZSA-N -1 1 264.369 2.578 20 0 CFADMM CC(C)c1c(Cc2ccccc2)[n-]n(-c2cccnn2)c1=O ZINC000634606933 383268334 /nfs/dbraw/zinc/26/83/34/383268334.db2.gz HGKLBSGTVIYVDT-INIZCTEOSA-N -1 1 294.358 2.694 20 0 CFADMM Cc1[n-]n(-c2cc(C(F)(F)F)ccn2)c(=O)c1C1CC1 ZINC000634608688 383269044 /nfs/dbraw/zinc/26/90/44/383269044.db2.gz JSGMJURPMVGONC-LLVKDONJSA-N -1 1 283.253 2.849 20 0 CFADMM Cc1[n-]n(-c2cc(C(F)(F)F)ccn2)c(=O)c1C1CC1 ZINC000634608689 383269069 /nfs/dbraw/zinc/26/90/69/383269069.db2.gz JSGMJURPMVGONC-NSHDSACASA-N -1 1 283.253 2.849 20 0 CFADMM CCCCc1cc(=O)n(-c2ccc(C(=O)[O-])cc2OC)[nH]1 ZINC000634612014 383272896 /nfs/dbraw/zinc/27/28/96/383272896.db2.gz LDLZKXJDLOWKPU-UHFFFAOYSA-N -1 1 290.319 2.676 20 0 CFADMM Cc1[n-]n(-c2cc(F)c(F)cc2F)c(=O)c1C1CC1 ZINC000634611976 383273512 /nfs/dbraw/zinc/27/35/12/383273512.db2.gz KIPFPBVTWVASRQ-GFCCVEGCSA-N -1 1 268.238 2.853 20 0 CFADMM Cc1[n-]n(-c2ccnc(C(F)(F)F)c2)c(=O)c1C1CC1 ZINC000634617906 383276753 /nfs/dbraw/zinc/27/67/53/383276753.db2.gz AJYGKNWZMOFKTD-LLVKDONJSA-N -1 1 283.253 2.849 20 0 CFADMM O=C([O-])c1ccc(-n2[nH]c3c(c2=O)CCCCC3)c(F)c1 ZINC000634619246 383279074 /nfs/dbraw/zinc/27/90/74/383279074.db2.gz SYZJFRSDOJZHNL-JTQLQIEISA-N -1 1 290.294 2.807 20 0 CFADMM CCCc1c(C)[n-]n(-c2ccc3n[nH]cc3c2)c1=O ZINC000634620652 383280256 /nfs/dbraw/zinc/28/02/56/383280256.db2.gz LGAPPTNZULOUHV-LBPRGKRZSA-N -1 1 256.309 2.702 20 0 CFADMM Cc1c(-c2ccccc2)[n-]n([C@@H]2CCOC(C)(C)C2)c1=O ZINC000634621788 383280300 /nfs/dbraw/zinc/28/03/00/383280300.db2.gz PQJYBAVRELFBJN-TZMCWYRMSA-N -1 1 286.375 2.827 20 0 CFADMM CC[C@@H](OC)C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000339839262 383336944 /nfs/dbraw/zinc/33/69/44/383336944.db2.gz AQZDVKWQIAUREE-MRVPVSSYSA-N -1 1 299.783 2.577 20 0 CFADMM CCCc1[n-]n([C@@H](C)C(F)(F)F)c(=O)c1CC ZINC000634631650 383290685 /nfs/dbraw/zinc/29/06/85/383290685.db2.gz ZIHUJBLBGHJZQK-JGVFFNPUSA-N -1 1 250.264 2.962 20 0 CFADMM CC1(C)OCC[C@H]1n1[n-]c2c(c1=O)CCCc1ccccc1-2 ZINC000634632616 383290868 /nfs/dbraw/zinc/29/08/68/383290868.db2.gz VLOCAVRPTBYUHK-HUUCEWRRSA-N -1 1 298.386 2.753 20 0 CFADMM CCS(=O)(=O)[N-]c1n[nH]c(C)c1-c1ccc(Cl)cc1 ZINC000634665187 383297969 /nfs/dbraw/zinc/29/79/69/383297969.db2.gz YOEZINZMBDHYGT-UHFFFAOYSA-N -1 1 299.783 2.800 20 0 CFADMM CN(CCC(F)(F)F)Cc1ccc(OCC(=O)[O-])cc1 ZINC000568074018 383355019 /nfs/dbraw/zinc/35/50/19/383355019.db2.gz ULIQPRONDURNOO-UHFFFAOYSA-N -1 1 291.269 2.534 20 0 CFADMM CO[C@@H](C)c1nc(=NC[C@@H]2C[C@H]2C2CCC2)s[n-]1 ZINC000425288604 383359873 /nfs/dbraw/zinc/35/98/73/383359873.db2.gz YEOHMQQZGNEQRI-LSJOCFKGSA-N -1 1 267.398 2.516 20 0 CFADMM COc1ccccc1[C@@H](NCc1cccc(F)c1)C(=O)[O-] ZINC000426816026 532980272 /nfs/dbraw/zinc/98/02/72/532980272.db2.gz IMOFAXZBNQPMFW-OAHLLOKOSA-N -1 1 289.306 2.750 20 0 CFADMM CCC[C@](C)(CC)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425325191 383368295 /nfs/dbraw/zinc/36/82/95/383368295.db2.gz RGLBXHWMPFCROY-HNNXBMFYSA-N -1 1 295.383 2.698 20 0 CFADMM CCC(CC)[C@@H](C)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425326210 383368579 /nfs/dbraw/zinc/36/85/79/383368579.db2.gz UBOUPEBMMQIQOG-SNVBAGLBSA-N -1 1 295.383 2.554 20 0 CFADMM C[C@H](CC(C)(C)C)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425327650 383369430 /nfs/dbraw/zinc/36/94/30/383369430.db2.gz VZOGEPQEPDLZKO-SNVBAGLBSA-N -1 1 295.383 2.554 20 0 CFADMM CC(=O)c1[n-]c(=N[C@@H](CO)CCC(C)(C)C)sc1C ZINC000450498559 383439494 /nfs/dbraw/zinc/43/94/94/383439494.db2.gz GLFHZTOWANLKNY-LLVKDONJSA-N -1 1 284.425 2.675 20 0 CFADMM Cc1ccccc1-c1cnc(CN(C)C[C@@H](C)C(=O)[O-])o1 ZINC000568891759 383447945 /nfs/dbraw/zinc/44/79/45/383447945.db2.gz XWERQBGCYMEJAS-GFCCVEGCSA-N -1 1 288.347 2.803 20 0 CFADMM COc1ncc(CSc2ncc(C)c(=O)[n-]2)cc1Cl ZINC000569120302 383469901 /nfs/dbraw/zinc/46/99/01/383469901.db2.gz DJOFZYCGGMUXFA-UHFFFAOYSA-N -1 1 297.767 2.840 20 0 CFADMM CCc1cc(=O)[n-]c(SCC(=O)C2CCCC2)n1 ZINC000526003044 383420549 /nfs/dbraw/zinc/42/05/49/383420549.db2.gz LJUHJKRGXORUOQ-UHFFFAOYSA-N -1 1 266.366 2.596 20 0 CFADMM CC[C@H](F)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000569277427 383483990 /nfs/dbraw/zinc/48/39/90/383483990.db2.gz UCTRSXJLYPOMJA-YFKPBYRVSA-N -1 1 252.261 2.960 20 0 CFADMM C[C@@H]1CCN(Cc2nc(C(=O)[O-])co2)[C@@H]2CCCC[C@@H]12 ZINC000569612404 383519698 /nfs/dbraw/zinc/51/96/98/383519698.db2.gz WJMKOYQEGGQINH-NTZNESFSSA-N -1 1 278.352 2.773 20 0 CFADMM CCCN(Cc1cc(C(=O)[O-])nn1C)Cc1ccccc1 ZINC000635300772 383526906 /nfs/dbraw/zinc/52/69/06/383526906.db2.gz RYOKCFBYDTUTJP-UHFFFAOYSA-N -1 1 287.363 2.531 20 0 CFADMM CC(C)CC1(C)CCN(Cc2cc(C(=O)[O-])nn2C)CC1 ZINC000635313573 383530929 /nfs/dbraw/zinc/53/09/29/383530929.db2.gz YZDJMGGNWMGIKP-UHFFFAOYSA-N -1 1 293.411 2.767 20 0 CFADMM CCc1nc(SC[C@@H]2CCC[C@@H](O)C2)[n-]c(=O)c1C ZINC000569743587 383533263 /nfs/dbraw/zinc/53/32/63/383533263.db2.gz BOHYTWTZRUZZME-GHMZBOCLSA-N -1 1 282.409 2.696 20 0 CFADMM COC(=O)c1c[n-]c(SC2CC(OC(C)(C)C)C2)n1 ZINC000450903756 383543236 /nfs/dbraw/zinc/54/32/36/383543236.db2.gz MOPYBDQRAXFOLC-UHFFFAOYSA-N -1 1 284.381 2.635 20 0 CFADMM CC[C@H]1C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000341049915 383543733 /nfs/dbraw/zinc/54/37/33/383543733.db2.gz WEJJYUWFWVJFJW-XVKPBYJWSA-N -1 1 277.748 2.556 20 0 CFADMM CCCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000450973323 383574231 /nfs/dbraw/zinc/57/42/31/383574231.db2.gz XTYUGHSVDXLVTB-UHFFFAOYSA-N -1 1 271.313 2.650 20 0 CFADMM CCc1nc(SCc2cccc(N)c2)[n-]c(=O)c1C ZINC000570412350 383602309 /nfs/dbraw/zinc/60/23/09/383602309.db2.gz ZMBFOCDQYQZTDV-UHFFFAOYSA-N -1 1 275.377 2.928 20 0 CFADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1csnn1 ZINC000450959615 383568137 /nfs/dbraw/zinc/56/81/37/383568137.db2.gz PKZBMPZSBIXCFZ-BYPYZUCNSA-N -1 1 290.320 2.825 20 0 CFADMM O=c1cc(C(F)(F)F)nc(SC2CCC2)[n-]1 ZINC000430980964 383619220 /nfs/dbraw/zinc/61/92/20/383619220.db2.gz HSJQEZLJYNCKNG-UHFFFAOYSA-N -1 1 250.245 2.846 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)CCCC(C)C)c1 ZINC000451461474 383620537 /nfs/dbraw/zinc/62/05/37/383620537.db2.gz ULFAXHYWZXRMQF-UHFFFAOYSA-N -1 1 279.336 2.944 20 0 CFADMM O=C([O-])CC1(CN2CCc3c(F)ccc(F)c3C2)CC1 ZINC000570638905 383621363 /nfs/dbraw/zinc/62/13/63/383621363.db2.gz KSUDJNZKVNTXRN-UHFFFAOYSA-N -1 1 281.302 2.578 20 0 CFADMM COCC[C@@H](C)CNC(=O)N=c1[n-]sc2ccccc21 ZINC000640337637 383765719 /nfs/dbraw/zinc/76/57/19/383765719.db2.gz JJYLSFFWMKSGQG-SNVBAGLBSA-N -1 1 293.392 2.512 20 0 CFADMM CC(C)OC1CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000636326245 383766670 /nfs/dbraw/zinc/76/66/70/383766670.db2.gz CXKQWXGWWIOQDH-UHFFFAOYSA-N -1 1 285.343 2.795 20 0 CFADMM CCC[C@@H](CNC(=O)N=c1[n-]sc2ccccc21)OC ZINC000640340259 383766860 /nfs/dbraw/zinc/76/68/60/383766860.db2.gz PYGDUEHABCLDMY-JTQLQIEISA-N -1 1 293.392 2.655 20 0 CFADMM Cc1cccc(OCCN(C)Cc2occc2C(=O)[O-])c1 ZINC000572370416 383777316 /nfs/dbraw/zinc/77/73/16/383777316.db2.gz PSKZBBDRVGFWFD-UHFFFAOYSA-N -1 1 289.331 2.797 20 0 CFADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2csc(C(C)(C)C)n2)C1 ZINC000263356747 383660017 /nfs/dbraw/zinc/66/00/17/383660017.db2.gz QZYDQUFKEFBWKI-WDEREUQCSA-N -1 1 296.436 2.983 20 0 CFADMM COCCCN(C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000571217549 383674461 /nfs/dbraw/zinc/67/44/61/383674461.db2.gz KKJPVCCIOPAZBW-GFCCVEGCSA-N -1 1 289.734 2.573 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)C(C)(C)C(C)C)c1 ZINC000436501571 383824675 /nfs/dbraw/zinc/82/46/75/383824675.db2.gz ASLRZVGFLLJFLD-UHFFFAOYSA-N -1 1 279.336 2.800 20 0 CFADMM CC1(C)CCCCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436564094 383836568 /nfs/dbraw/zinc/83/65/68/383836568.db2.gz OWUYYMPTAWDGOQ-UHFFFAOYSA-N -1 1 275.348 2.614 20 0 CFADMM CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)cc1O ZINC000436551885 383837328 /nfs/dbraw/zinc/83/73/28/383837328.db2.gz BAUUMUNTMMTFIQ-GFCCVEGCSA-N -1 1 296.798 2.650 20 0 CFADMM CC[C@H](C)c1ncc(NC(=O)C(=O)c2ccc([O-])cc2)cn1 ZINC000436638246 383859990 /nfs/dbraw/zinc/85/99/90/383859990.db2.gz CNCVQDVPQKTWNX-JTQLQIEISA-N -1 1 299.330 2.517 20 0 CFADMM [O-]c1cccc(CN2CCO[C@@H](C(F)(F)F)C2)c1Cl ZINC000646088897 383861043 /nfs/dbraw/zinc/86/10/43/383861043.db2.gz RKUOHIGQLRCMAW-SNVBAGLBSA-N -1 1 295.688 2.809 20 0 CFADMM CCC(=O)c1ccc([O-])c(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000436654753 383865441 /nfs/dbraw/zinc/86/54/41/383865441.db2.gz YDJCNIAKFADDMN-UHFFFAOYSA-N -1 1 299.330 2.838 20 0 CFADMM Cc1ccccc1OCCNC(=O)c1cc(F)ccc1[O-] ZINC000436540117 383832503 /nfs/dbraw/zinc/83/25/03/383832503.db2.gz NOPYTBIPLGFAKY-UHFFFAOYSA-N -1 1 289.306 2.649 20 0 CFADMM CSc1nc(CNC(=O)CCCC(C)(C)C)cc(=O)[n-]1 ZINC000640657778 383882113 /nfs/dbraw/zinc/88/21/13/383882113.db2.gz IPINHUVWSLILPP-UHFFFAOYSA-N -1 1 297.424 2.737 20 0 CFADMM C[C@H]1CCC[C@@]1(O)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000436728163 383882278 /nfs/dbraw/zinc/88/22/78/383882278.db2.gz ILCJKZJLNCJGJI-KPZWWZAWSA-N -1 1 299.370 2.826 20 0 CFADMM C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000436728164 383882531 /nfs/dbraw/zinc/88/25/31/383882531.db2.gz ILCJKZJLNCJGJI-KZULUSFZSA-N -1 1 299.370 2.826 20 0 CFADMM CC(C)CCC[C@@H](C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436778865 383895439 /nfs/dbraw/zinc/89/54/39/383895439.db2.gz UGNPUMVWGDHVKZ-GFCCVEGCSA-N -1 1 277.364 2.906 20 0 CFADMM Cc1cn2c(n1)CN(Cc1cccc([O-])c1Cl)CC2 ZINC000646156359 383902118 /nfs/dbraw/zinc/90/21/18/383902118.db2.gz WHEGFYAJBZTDMY-UHFFFAOYSA-N -1 1 277.755 2.566 20 0 CFADMM CC(C)=CCC[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000454287389 383978427 /nfs/dbraw/zinc/97/84/27/383978427.db2.gz NKRGODWAPBWBOM-LBPRGKRZSA-N -1 1 299.374 2.788 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000646409763 383988612 /nfs/dbraw/zinc/98/86/12/383988612.db2.gz XFTNYZJRRORWRS-UHFFFAOYSA-N -1 1 284.319 2.774 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000646410315 383988871 /nfs/dbraw/zinc/98/88/71/383988871.db2.gz CNBYBDCCUKMGFY-LBPRGKRZSA-N -1 1 271.320 2.556 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(Cl)ccc1C ZINC000646410360 383989677 /nfs/dbraw/zinc/98/96/77/383989677.db2.gz FMVZHHPYBUSCML-UHFFFAOYSA-N -1 1 265.700 2.638 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000646409529 383989911 /nfs/dbraw/zinc/98/99/11/383989911.db2.gz LBARXXSEARXIPE-UHFFFAOYSA-N -1 1 285.225 2.695 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CCSc1ccccc1F ZINC000646412424 383990795 /nfs/dbraw/zinc/99/07/95/383990795.db2.gz HUYHLVGHLRFUCB-UHFFFAOYSA-N -1 1 295.339 2.684 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CCC1CCCCC1 ZINC000646413343 383991016 /nfs/dbraw/zinc/99/10/16/383991016.db2.gz VPTMHKBYJVOXRY-UHFFFAOYSA-N -1 1 251.330 2.723 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](C)CC1CCCC1 ZINC000646411885 383991563 /nfs/dbraw/zinc/99/15/63/383991563.db2.gz WSCWOJIMBQUZMG-MRVPVSSYSA-N -1 1 251.330 2.579 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000646411780 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542890592 /nfs/dbraw/zinc/89/05/92/542890592.db2.gz JTKNLKQAZSKXMV-UHFFFAOYSA-N -1 1 279.299 2.612 20 0 CFADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1cc(Cl)ccc1[O-] ZINC000529989634 394439397 /nfs/dbraw/zinc/43/93/97/394439397.db2.gz XZEAZXSPBRKMBO-VXFNFUGZSA-N -1 1 283.755 2.587 20 0 CFADMM CC(C)CCCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000457470544 394463926 /nfs/dbraw/zinc/46/39/26/394463926.db2.gz AKNOYLSAPHCMEX-UHFFFAOYSA-N -1 1 278.278 2.978 20 0 CFADMM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC(F)(F)CC1 ZINC000530173772 394468489 /nfs/dbraw/zinc/46/84/89/394468489.db2.gz ZRUNYXPVCIPEKT-LLVKDONJSA-N -1 1 273.254 2.683 20 0 CFADMM CC1(C)CN(C(=O)c2ccc([O-])c(F)c2)[C@H]1[C@@H]1CCCO1 ZINC000685885692 542953861 /nfs/dbraw/zinc/95/38/61/542953861.db2.gz LSXKKPZCSLAACD-KBPBESRZSA-N -1 1 293.338 2.561 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC000547978395 394900688 /nfs/dbraw/zinc/90/06/88/394900688.db2.gz ZGUSOUHSLXLSPD-CQSZACIVSA-N -1 1 282.343 2.553 20 0 CFADMM 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O=C(c1ccc([O-])c(F)c1)N1CCOC[C@@H]1CC1CCC1 ZINC000647561660 395393398 /nfs/dbraw/zinc/39/33/98/395393398.db2.gz FFTYORHCMYBTHJ-ZDUSSCGKSA-N -1 1 293.338 2.563 20 0 CFADMM C[C@H]1CCN(Cc2nc3c(s2)CCCC3)C[C@@H]1C(=O)[O-] ZINC000647461351 395341911 /nfs/dbraw/zinc/34/19/11/395341911.db2.gz MVIOHSZXFSVPEU-QWRGUYRKSA-N -1 1 294.420 2.565 20 0 CFADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1C1CCC1 ZINC000649195955 395450567 /nfs/dbraw/zinc/45/05/67/395450567.db2.gz AEUIHBHCEFRKDN-GFCCVEGCSA-N -1 1 260.337 2.582 20 0 CFADMM C[C@H]1C[C@H]1c1ccc(CN2[C@@H](C)CC[C@H]2C(=O)[O-])o1 ZINC000650794112 413163434 /nfs/dbraw/zinc/16/34/34/413163434.db2.gz STVYWXKSYOPTJG-DJIHRAIXSA-N -1 1 263.337 2.841 20 0 CFADMM C[C@@H]1CN(c2c(C(=O)[O-])cnc3ccccc32)C[C@@H](C)O1 ZINC000041719012 397554727 /nfs/dbraw/zinc/55/47/27/397554727.db2.gz BICNCXIMWRWTFO-GHMZBOCLSA-N -1 1 286.331 2.547 20 0 CFADMM CC(C)(CCCO)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000221774987 397621674 /nfs/dbraw/zinc/62/16/74/397621674.db2.gz KXULEBPTZGXXIA-UHFFFAOYSA-N 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QARGBNOTFQBFTB-UHFFFAOYSA-N -1 1 298.302 2.634 20 0 CFADMM C[C@@H]1CCc2nc(CN3CCC[C@@H](C(=O)[O-])C3)sc2C1 ZINC000251601130 270273543 /nfs/dbraw/zinc/27/35/43/270273543.db2.gz GFTHKEPRVXJOOO-GHMZBOCLSA-N -1 1 294.420 2.565 20 0 CFADMM C[C@@H]1CC[C@H](CNC(=O)c2ccc3ccccc3c2[O-])O1 ZINC000398045040 270321263 /nfs/dbraw/zinc/32/12/63/270321263.db2.gz BLNTUDXKTUKJKL-DGCLKSJQSA-N -1 1 285.343 2.843 20 0 CFADMM CCOC1(C)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000399973481 270330277 /nfs/dbraw/zinc/33/02/77/270330277.db2.gz FZCHIEAPPAJBGR-UHFFFAOYSA-N -1 1 285.343 2.796 20 0 CFADMM CCc1oc(C(=O)[O-])cc1CN1CCS[C@@H](C)[C@H]1C ZINC000516777184 270387806 /nfs/dbraw/zinc/38/78/06/270387806.db2.gz OZTXMKOUAIOQDK-ZJUUUORDSA-N -1 1 283.393 2.866 20 0 CFADMM C[C@@H]1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000516777015 270387917 /nfs/dbraw/zinc/38/79/17/270387917.db2.gz HQRMMBPAMHGVFF-LLVKDONJSA-N -1 1 286.331 2.882 20 0 CFADMM O=C(NCC[C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000529603941 270708714 /nfs/dbraw/zinc/70/87/14/270708714.db2.gz WXPJSCNSFLQSTG-JTQLQIEISA-N -1 1 283.755 2.592 20 0 CFADMM Cc1nc(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)cs1 ZINC000530176469 270765212 /nfs/dbraw/zinc/76/52/12/270765212.db2.gz TZCSDZQYLDOSAG-RKDXNWHRSA-N -1 1 268.382 2.525 20 0 CFADMM CC[C@H](CSc1nc(C(F)(F)F)cc(=O)[n-]1)OC ZINC000416926611 276629002 /nfs/dbraw/zinc/62/90/02/276629002.db2.gz ROOBKQHTYKPXSY-ZCFIWIBFSA-N -1 1 282.287 2.718 20 0 CFADMM CC(C)(C)c1cc2c([n-]c(-c3ncccn3)nc2=O)s1 ZINC000069982113 277265724 /nfs/dbraw/zinc/26/57/24/277265724.db2.gz CSSGJHASBNLADE-UHFFFAOYSA-N -1 1 286.360 2.739 20 0 CFADMM C[C@@H]1CN(C(=O)c2ccc(Br)c([O-])c2)C[C@H]1C ZINC000231349213 288026588 /nfs/dbraw/zinc/02/65/88/288026588.db2.gz KODASBLUMUNFOS-RKDXNWHRSA-N -1 1 298.180 2.883 20 0 CFADMM C[C@H]1CCN(C(=O)c2cncc([O-])c2)[C@@H](c2ccco2)C1 ZINC000173355876 278364115 /nfs/dbraw/zinc/36/41/15/278364115.db2.gz UHVFBACDXXDTAH-SMDDNHRTSA-N -1 1 286.331 2.994 20 0 CFADMM Cc1ccnc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)n1 ZINC000432502239 278981929 /nfs/dbraw/zinc/98/19/29/278981929.db2.gz HEMVFVDVOQDZHW-UHFFFAOYSA-N -1 1 272.695 2.754 20 0 CFADMM C[C@H]1C[C@H](c2ccsc2)CN1C(=O)c1ncccc1[O-] ZINC000371766001 280018857 /nfs/dbraw/zinc/01/88/57/280018857.db2.gz NROTXVLMAFWGOA-JQWIXIFHSA-N -1 1 288.372 2.867 20 0 CFADMM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC000028781162 280339087 /nfs/dbraw/zinc/33/90/87/280339087.db2.gz AKWBDXFHLKNDOT-UHFFFAOYSA-N -1 1 287.262 2.905 20 0 CFADMM COc1ccc2nc(-c3ccc(C)cc3)[n-]c(=O)c2c1 ZINC000063580906 280463203 /nfs/dbraw/zinc/46/32/03/280463203.db2.gz WIMFYYDEVHFVTC-UHFFFAOYSA-N -1 1 266.300 2.907 20 0 CFADMM C[C@@H](c1cccnc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000094067931 280577837 /nfs/dbraw/zinc/57/78/37/280577837.db2.gz GSXXSHUIEXOWOF-JTQLQIEISA-N -1 1 274.295 2.760 20 0 CFADMM O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1c([O-])cccc1F ZINC000121180300 280620724 /nfs/dbraw/zinc/62/07/24/280620724.db2.gz ZWIXTXMAKLUVOY-DGCLKSJQSA-N -1 1 289.281 2.956 20 0 CFADMM O=C(NCc1ccc(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000124047826 280637219 /nfs/dbraw/zinc/63/72/19/280637219.db2.gz SYFAKOTZJKLYMS-UHFFFAOYSA-N -1 1 281.233 2.740 20 0 CFADMM C[C@H]1CCCC[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000128598158 280680506 /nfs/dbraw/zinc/68/05/06/280680506.db2.gz AZHYAYXMTYPKPF-JOYOIKCWSA-N -1 1 251.301 2.840 20 0 CFADMM C[C@@H](NC(=O)c1cncc([O-])c1)C(C)(C)c1ccccc1 ZINC000133824856 280749371 /nfs/dbraw/zinc/74/93/71/280749371.db2.gz SAJNNXMFCKQQML-GFCCVEGCSA-N -1 1 284.359 2.883 20 0 CFADMM O=C(NC1CCSCC1)c1ccc(Cl)cc1[O-] ZINC000133942158 280751557 /nfs/dbraw/zinc/75/15/57/280751557.db2.gz UVYZUDXRCVMKJD-UHFFFAOYSA-N -1 1 271.769 2.671 20 0 CFADMM COc1cc(C(=O)NC[C@@H](C)SC)cc(Cl)c1[O-] ZINC000135218459 280768404 /nfs/dbraw/zinc/76/84/04/280768404.db2.gz AEIGJLCCPSVAHP-SSDOTTSWSA-N -1 1 289.784 2.536 20 0 CFADMM C/C=C/C=C/C(=O)Nc1nc(Br)ccc1[O-] ZINC000194571196 280922762 /nfs/dbraw/zinc/92/27/62/280922762.db2.gz HSDSDHQMWQOFDX-MQQKCMAXSA-N -1 1 283.125 2.621 20 0 CFADMM C[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000305233269 281152585 /nfs/dbraw/zinc/15/25/85/281152585.db2.gz MRXSNKYRQYUZTD-TZMCWYRMSA-N -1 1 299.370 2.778 20 0 CFADMM Cn1cnc2cc(C(=O)Nc3ccc(F)cc3[O-])ccc21 ZINC000338057132 281165859 /nfs/dbraw/zinc/16/58/59/281165859.db2.gz UAHSHCVIUJPQJF-UHFFFAOYSA-N -1 1 285.278 2.670 20 0 CFADMM CC[C@@H]1CN(C(=O)c2ccc([O-])cc2F)C[C@@H](CC)O1 ZINC000398766168 281209362 /nfs/dbraw/zinc/20/93/62/281209362.db2.gz GPTFOSXDVYHLOT-VXGBXAGGSA-N -1 1 281.327 2.561 20 0 CFADMM CC[C@H]1CN(C(=O)c2cc(F)ccc2[O-])C[C@H](CC)O1 ZINC000398779708 281209487 /nfs/dbraw/zinc/20/94/87/281209487.db2.gz LPBQTZGTHIVRAM-RYUDHWBXSA-N -1 1 281.327 2.561 20 0 CFADMM Cc1nocc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000516194540 281301232 /nfs/dbraw/zinc/30/12/32/281301232.db2.gz MBZYOXPDJHDVKS-UHFFFAOYSA-N -1 1 273.264 2.709 20 0 CFADMM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cncc([O-])c1 ZINC000525253587 281312785 /nfs/dbraw/zinc/31/27/85/281312785.db2.gz NVCOYXMEIVUMHA-GFCCVEGCSA-N -1 1 296.248 2.821 20 0 CFADMM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cncc([O-])c1 ZINC000525253588 281312838 /nfs/dbraw/zinc/31/28/38/281312838.db2.gz NVCOYXMEIVUMHA-LBPRGKRZSA-N -1 1 296.248 2.821 20 0 CFADMM CCc1c(C)sc2[n-]c(-c3ncc(C)cn3)nc(=O)c12 ZINC000133640234 281368558 /nfs/dbraw/zinc/36/85/58/281368558.db2.gz SSIBFSMTCHFRAN-UHFFFAOYSA-N -1 1 286.360 2.621 20 0 CFADMM CCC[C@@H](OCC)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000529492243 281399340 /nfs/dbraw/zinc/39/93/40/281399340.db2.gz GMYWZDLHLBIMAD-LLVKDONJSA-N -1 1 293.392 2.704 20 0 CFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)CCC1CC1 ZINC000546718014 281718960 /nfs/dbraw/zinc/71/89/60/281718960.db2.gz GJYOFXYZMYTZTB-QMMMGPOBSA-N -1 1 295.408 2.521 20 0 CFADMM Cc1cccc2c1CC[C@@H]2NC(=O)C(=O)c1ccc([O-])cc1 ZINC000548798616 281802421 /nfs/dbraw/zinc/80/24/21/281802421.db2.gz KIHBRVADGZORBN-INIZCTEOSA-N -1 1 295.338 2.687 20 0 CFADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCc2ccccc21 ZINC000185245521 281894938 /nfs/dbraw/zinc/89/49/38/281894938.db2.gz SOFKDLKBQXOPPE-ZDUSSCGKSA-N -1 1 268.316 2.547 20 0 CFADMM CCSc1nnc([N-]C(=O)c2ocnc2C2CC2)s1 ZINC000561677967 282058662 /nfs/dbraw/zinc/05/86/62/282058662.db2.gz FEQKDFFVVGTZCQ-UHFFFAOYSA-N -1 1 296.377 2.768 20 0 CFADMM CC(C)C1(CNC(=O)c2cn[nH]c2-c2ccccn2)CC1 ZINC000562157502 282067613 /nfs/dbraw/zinc/06/76/13/282067613.db2.gz BAPYABBUEATCFX-UHFFFAOYSA-N -1 1 284.363 2.638 20 0 CFADMM CCN(Cc1ccc(C)cc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000562264069 282070286 /nfs/dbraw/zinc/07/02/86/282070286.db2.gz QXTQJVIZHNEYHZ-UHFFFAOYSA-N -1 1 297.354 2.932 20 0 CFADMM C[C@H](C(=O)Nc1ccc(F)c(F)c1[O-])N1CCCCCC1 ZINC000457301190 289381407 /nfs/dbraw/zinc/38/14/07/289381407.db2.gz VXMHKVJMSKKVGJ-SNVBAGLBSA-N -1 1 298.333 2.873 20 0 CFADMM O=C([O-])C[C@@H]1CCCN(Cc2ccn(-c3ccccc3)n2)C1 ZINC000314943438 290019085 /nfs/dbraw/zinc/01/90/85/290019085.db2.gz BKXKWXLQGWNKCV-AWEZNQCLSA-N -1 1 299.374 2.559 20 0 CFADMM Cc1oc(-c2ccccc2)nc1CN(C)C[C@@H](C)C(=O)[O-] ZINC000563279201 290127683 /nfs/dbraw/zinc/12/76/83/290127683.db2.gz PTPPOTKYHXQLRP-LLVKDONJSA-N -1 1 288.347 2.803 20 0 CFADMM CC(C)(CO)[C@H](NC(=O)c1cc(Cl)ccc1[O-])C1CC1 ZINC000563402430 290143302 /nfs/dbraw/zinc/14/33/02/290143302.db2.gz CWEVWJFCZLYZCB-CYBMUJFWSA-N -1 1 297.782 2.573 20 0 CFADMM Cc1nnc([C@@H](C)Sc2ncc(C)c(=O)[n-]2)s1 ZINC000563633689 290165690 /nfs/dbraw/zinc/16/56/90/290165690.db2.gz AUYJYCMXFCUEMG-ZCFIWIBFSA-N -1 1 268.367 2.504 20 0 CFADMM O=S(=O)([N-][C@H]1CCC[C@H](F)C1)c1cc2ccccc2o1 ZINC000564208116 290196977 /nfs/dbraw/zinc/19/69/77/290196977.db2.gz PFOOGFMJSMCCBK-RYUDHWBXSA-N -1 1 297.351 2.992 20 0 CFADMM C[C@H]1CC(C(=O)Nc2ccc([O-])c(F)c2F)C[C@H](C)O1 ZINC000335220499 290331894 /nfs/dbraw/zinc/33/18/94/290331894.db2.gz UXAHKPROSPGLTC-YUMQZZPRSA-N -1 1 285.290 2.813 20 0 CFADMM CCc1oc(C(=O)[O-])cc1CN(C)C[C@@H]1CCCCO1 ZINC000566358376 290374693 /nfs/dbraw/zinc/37/46/93/290374693.db2.gz HHQXWGZXYPCDPX-LBPRGKRZSA-N -1 1 281.352 2.541 20 0 CFADMM CC[C@H]1CN(Cc2ccc(C(=O)[O-])cc2F)CCS1 ZINC000566360026 290375321 /nfs/dbraw/zinc/37/53/21/290375321.db2.gz OSAXIZVZJLJNQK-LBPRGKRZSA-N -1 1 283.368 2.851 20 0 CFADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1ncc(-c2cccs2)o1 ZINC000566367234 290377003 /nfs/dbraw/zinc/37/70/03/290377003.db2.gz DBOLDBNDKCFPHF-VHSXEESVSA-N -1 1 292.360 2.698 20 0 CFADMM CCc1nc(SCCc2cccnc2)[n-]c(=O)c1C ZINC000566498669 290395471 /nfs/dbraw/zinc/39/54/71/290395471.db2.gz FZERLXJHIZFTLD-UHFFFAOYSA-N -1 1 275.377 2.783 20 0 CFADMM C[C@@]12C[N@@H+](Cc3cc(C(=O)[O-])co3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000566510092 290397012 /nfs/dbraw/zinc/39/70/12/290397012.db2.gz IZDNOOKIKUIIIL-TYRIBLQHSA-N -1 1 273.332 2.622 20 0 CFADMM O=C([O-])[C@H](NCc1ccc(F)cc1F)c1ccc(O)cc1 ZINC000567326464 290455242 /nfs/dbraw/zinc/45/52/42/290455242.db2.gz GHQYPYJQSSIOHX-CQSZACIVSA-N -1 1 293.269 2.586 20 0 CFADMM C[C@@H](CNc1nc(C2CCCCC2)ns1)CC(=O)[O-] ZINC000568517340 290557640 /nfs/dbraw/zinc/55/76/40/290557640.db2.gz JAARJFOQZFCDDE-SECBINFHSA-N -1 1 283.397 2.530 20 0 CFADMM CCCc1noc(CSc2nc(CC)c(C)c(=O)[n-]2)n1 ZINC000569120715 290587643 /nfs/dbraw/zinc/58/76/43/290587643.db2.gz ODCALRGPMMVYRB-UHFFFAOYSA-N -1 1 294.380 2.681 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]2CCC[C@@H]21 ZINC000181239117 304526907 /nfs/dbraw/zinc/52/69/07/304526907.db2.gz RZZGCPBRBICVAW-HZMBPMFUSA-N -1 1 263.312 2.936 20 0 CFADMM C[C@H]1COC(C)(C)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000436730049 300330896 /nfs/dbraw/zinc/33/08/96/300330896.db2.gz DWKINQQMZDUMNH-VIFPVBQESA-N -1 1 283.755 2.685 20 0 CFADMM Cc1ccccc1[C@@H]1CN(CCCCC(=O)[O-])CCO1 ZINC000364290377 302154750 /nfs/dbraw/zinc/15/47/50/302154750.db2.gz MGJGGUSLDVTSIY-HNNXBMFYSA-N -1 1 277.364 2.623 20 0 CFADMM FC(F)(F)c1nc(=N[C@@H]2C[C@H]2C2CCC2)s[n-]1 ZINC000425269689 303120917 /nfs/dbraw/zinc/12/09/17/303120917.db2.gz DAHVPTKJLIBBLA-NKWVEPMBSA-N -1 1 263.288 2.579 20 0 CFADMM CCCOc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC001243219782 782078653 /nfs/dbraw/zinc/07/86/53/782078653.db2.gz CCMLABSNHNJYRD-UHFFFAOYSA-N -1 1 299.309 2.857 20 0 CFADMM CCCOc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC001243219782 782078663 /nfs/dbraw/zinc/07/86/63/782078663.db2.gz CCMLABSNHNJYRD-UHFFFAOYSA-N -1 1 299.309 2.857 20 0 CFADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cncc([O-])c2)C1 ZINC000162870770 322369906 /nfs/dbraw/zinc/36/99/06/322369906.db2.gz AWFYQYYGUUMKPF-YPMHNXCESA-N -1 1 280.393 2.533 20 0 CFADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1cccc(Cl)c1F ZINC000167050089 322387991 /nfs/dbraw/zinc/38/79/91/322387991.db2.gz DXARXYDAKOSYCE-WPRPVWTQSA-N -1 1 271.719 2.774 20 0 CFADMM CC(C)COC1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000571810920 322596774 /nfs/dbraw/zinc/59/67/74/322596774.db2.gz IKPQFGXDWMOKBG-UHFFFAOYSA-N -1 1 281.352 2.615 20 0 CFADMM CCOC1(C)CCN([C@H](C(=O)[O-])c2ccsc2)CC1 ZINC000573934743 322674615 /nfs/dbraw/zinc/67/46/15/322674615.db2.gz CVDBEBSBOYOBOS-LBPRGKRZSA-N -1 1 283.393 2.765 20 0 CFADMM C[C@@H](c1ccncc1)N(C)C(=O)c1ccc([O-])cc1F ZINC000181185379 323803519 /nfs/dbraw/zinc/80/35/19/323803519.db2.gz SEXFJYITCCBUDE-JTQLQIEISA-N -1 1 274.295 2.760 20 0 CFADMM CCc1cc(=O)[n-]c(SCc2csc(C3CC3)n2)n1 ZINC000188125395 324008842 /nfs/dbraw/zinc/00/88/42/324008842.db2.gz PNWPETHXNIYFNZ-UHFFFAOYSA-N -1 1 293.417 2.959 20 0 CFADMM Cc1cncc(-c2noc(-c3ccc([O-])cc3F)n2)c1 ZINC000350584789 324237707 /nfs/dbraw/zinc/23/77/07/324237707.db2.gz OUNXVQPKJFSOMV-UHFFFAOYSA-N -1 1 271.251 2.952 20 0 CFADMM Cc1nnsc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350587531 324238530 /nfs/dbraw/zinc/23/85/30/324238530.db2.gz XBXYJUMTIYUXOF-UHFFFAOYSA-N -1 1 294.723 2.923 20 0 CFADMM CO[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)C(C)C ZINC000350603641 324243571 /nfs/dbraw/zinc/24/35/71/324243571.db2.gz FXJFHKWJKHIZKQ-LLVKDONJSA-N -1 1 266.272 2.925 20 0 CFADMM Cc1cnccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350612913 324246699 /nfs/dbraw/zinc/24/66/99/324246699.db2.gz QZDQMOWGGTVKLN-UHFFFAOYSA-N -1 1 271.251 2.952 20 0 CFADMM C[C@]1(c2nc(-c3ccc([O-])cc3Cl)no2)CCOC1 ZINC000350811659 324260616 /nfs/dbraw/zinc/26/06/16/324260616.db2.gz CTCGAGQSRRSLSY-ZDUSSCGKSA-N -1 1 280.711 2.774 20 0 CFADMM Cc1cc(=O)[nH]cc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000350818271 324262444 /nfs/dbraw/zinc/26/24/44/324262444.db2.gz ZDNQNZBPSSOVRV-UHFFFAOYSA-N -1 1 287.250 2.657 20 0 CFADMM COCC(C)(C)Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000351217020 324350323 /nfs/dbraw/zinc/35/03/23/324350323.db2.gz JFEZIACMDHHGBF-UHFFFAOYSA-N -1 1 280.299 2.796 20 0 CFADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])[C@H]1CCCCO1 ZINC000379306200 324401879 /nfs/dbraw/zinc/40/18/79/324401879.db2.gz UTNUUCQXZWXJQL-NOZJJQNGSA-N -1 1 283.755 2.733 20 0 CFADMM CO[C@@H]([C@@H](C)NC(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000388290378 324503662 /nfs/dbraw/zinc/50/36/62/324503662.db2.gz VGCHXQMGEZOLAK-OQPBUACISA-N -1 1 283.755 2.589 20 0 CFADMM C[C@@H](CC(=O)[O-])N(C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000580096515 325008384 /nfs/dbraw/zinc/00/83/84/325008384.db2.gz HSXYZCSJYOFVBK-JTQLQIEISA-N -1 1 292.310 2.776 20 0 CFADMM Cc1cnc(S[C@@H](C)c2nc(C3CC3)no2)[n-]c1=O ZINC000581201673 325100587 /nfs/dbraw/zinc/10/05/87/325100587.db2.gz DUFXISLKVVGXDP-ZETCQYMHSA-N -1 1 278.337 2.604 20 0 CFADMM COCCN(CC(=O)[O-])Cc1c(C)c(C)c(C)c(C)c1C ZINC000582127945 325179284 /nfs/dbraw/zinc/17/92/84/325179284.db2.gz QFWFEUCPJPSZCE-UHFFFAOYSA-N -1 1 293.407 2.762 20 0 CFADMM O=C(CNc1ccccc1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000582700137 325226148 /nfs/dbraw/zinc/22/61/48/325226148.db2.gz BKFOBZAXPPFNEC-UHFFFAOYSA-N -1 1 298.371 2.611 20 0 CFADMM CCc1ccc(CN(C)Cc2ccc(C(=O)[O-])cn2)cc1 ZINC000582791186 325234875 /nfs/dbraw/zinc/23/48/75/325234875.db2.gz QIQFZCXXLYYQAP-UHFFFAOYSA-N -1 1 284.359 2.974 20 0 CFADMM CC1(C)CC[C@@H](Sc2nc(C3CC3)cc(=O)[n-]2)C1=O ZINC000583368359 325281055 /nfs/dbraw/zinc/28/10/55/325281055.db2.gz SBGCUEPTQKJEKQ-SNVBAGLBSA-N -1 1 278.377 2.909 20 0 CFADMM C[C@@H]1SCCN(Cc2ccc(C(=O)[O-])cc2F)[C@H]1C ZINC000583698742 325305054 /nfs/dbraw/zinc/30/50/54/325305054.db2.gz NPJZSNCRVLQCOX-UWVGGRQHSA-N -1 1 283.368 2.850 20 0 CFADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc2n(n1)CCCC2 ZINC000584116998 325331952 /nfs/dbraw/zinc/33/19/52/325331952.db2.gz RDDQKQJOJBMJSL-LBPRGKRZSA-N -1 1 285.413 2.540 20 0 CFADMM CCc1nc(SC[C@@H]2CCO[C@H](C)C2)[n-]c(=O)c1C ZINC000584183589 325336924 /nfs/dbraw/zinc/33/69/24/325336924.db2.gz ODUUKTPNDGMSGT-MWLCHTKSSA-N -1 1 282.409 2.960 20 0 CFADMM CC(=O)N[C@@](C)(C(=O)Nc1ccc([O-])c(Cl)c1)C(C)C ZINC000935020402 649865976 /nfs/dbraw/zinc/86/59/76/649865976.db2.gz ATGBWUCUKGPVPH-CQSZACIVSA-N -1 1 298.770 2.535 20 0 CFADMM COC(=O)c1nc(-c2ccc([O-])c(F)c2F)ccc1C ZINC001243339786 782143986 /nfs/dbraw/zinc/14/39/86/782143986.db2.gz USKZVUFBYQMSHN-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM CN1Cc2c(cccc2-c2ccc([O-])c(F)c2F)C1=O ZINC001243342771 782147782 /nfs/dbraw/zinc/14/77/82/782147782.db2.gz TWTRBIGAZBQQIM-UHFFFAOYSA-N -1 1 275.254 2.923 20 0 CFADMM COCOc1ccc(-c2ccc([O-])c(F)c2F)nc1 ZINC001243341919 782147930 /nfs/dbraw/zinc/14/79/30/782147930.db2.gz VFAWTZLVABLUEF-UHFFFAOYSA-N -1 1 267.231 2.715 20 0 CFADMM CN1Cc2cc(-c3ccc([O-])c(F)c3F)ccc2C1=O ZINC001243342375 782148122 /nfs/dbraw/zinc/14/81/22/782148122.db2.gz IBLZYLNEPIIHOT-UHFFFAOYSA-N -1 1 275.254 2.923 20 0 CFADMM CON(C)C(=O)c1cccc(-c2ccc([O-])c(F)c2F)c1 ZINC001243342297 782148189 /nfs/dbraw/zinc/14/81/89/782148189.db2.gz FKJAXSWPHJWILB-UHFFFAOYSA-N -1 1 293.269 2.971 20 0 CFADMM CC(=O)Nc1ncc(-c2ccc([O-])c(F)c2F)cc1C ZINC001243342497 782147542 /nfs/dbraw/zinc/14/75/42/782147542.db2.gz GUFJWDUBMNCOMN-UHFFFAOYSA-N -1 1 278.258 2.999 20 0 CFADMM CCOC(=O)c1ccc(-c2ccc([O-])c(F)c2F)cn1 ZINC001243343144 782148844 /nfs/dbraw/zinc/14/88/44/782148844.db2.gz XMYHIHWZRXZYBR-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM O=C1Cc2cc(-c3ccc([O-])c(F)c3F)ccc2CN1 ZINC001243343435 782148864 /nfs/dbraw/zinc/14/88/64/782148864.db2.gz BNQKTBMOUBYRON-UHFFFAOYSA-N -1 1 275.254 2.510 20 0 CFADMM CCC(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730362937 574077107 /nfs/dbraw/zinc/07/71/07/574077107.db2.gz XMKMKAPFUTUHCU-UHFFFAOYSA-N -1 1 277.103 2.835 20 0 CFADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(F)cc2)c1 ZINC000055159211 519728229 /nfs/dbraw/zinc/72/82/29/519728229.db2.gz ABEAOJDZLZRUGP-UHFFFAOYSA-N -1 1 288.278 2.742 20 0 CFADMM CCCC(=O)CSc1nc(CCC)cc(=O)[n-]1 ZINC000050186027 519861978 /nfs/dbraw/zinc/86/19/78/519861978.db2.gz PQCXMGNTCNIHHS-UHFFFAOYSA-N -1 1 254.355 2.596 20 0 CFADMM CCCCCC(C)(C)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155608913 519939714 /nfs/dbraw/zinc/93/97/14/519939714.db2.gz ZTDOMWIRFPVMEM-LBPRGKRZSA-N -1 1 293.415 2.512 20 0 CFADMM O=C(NCCc1cccc(F)c1)c1c([O-])cccc1F ZINC000163704938 534467708 /nfs/dbraw/zinc/46/77/08/534467708.db2.gz SMYZUXUDULJXJV-UHFFFAOYSA-N -1 1 277.270 2.643 20 0 CFADMM CCCCC[C@@H](C)CC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155640847 520276302 /nfs/dbraw/zinc/27/63/02/520276302.db2.gz BBBUMQRBVMBRSR-OLZOCXBDSA-N -1 1 293.415 2.512 20 0 CFADMM CCO[C@@H](CC(=O)Nc1ccc(F)cc1[O-])C(C)C ZINC000340330053 520289723 /nfs/dbraw/zinc/28/97/23/520289723.db2.gz MXFDQANDYMVJAD-ZDUSSCGKSA-N -1 1 269.316 2.921 20 0 CFADMM CCOc1cc(C(=O)N2CC(C)C2)cc(Cl)c1[O-] ZINC000335154399 520656545 /nfs/dbraw/zinc/65/65/45/520656545.db2.gz AFAWGZLQAPCIKP-UHFFFAOYSA-N -1 1 269.728 2.536 20 0 CFADMM O=C([O-])c1cccc(CNCc2cc(F)cc(F)c2)c1 ZINC000426701153 534550187 /nfs/dbraw/zinc/55/01/87/534550187.db2.gz YKFPLZYBAHOFPB-UHFFFAOYSA-N -1 1 277.270 2.953 20 0 CFADMM COc1cc(C(=O)N2CCC23CCC3)cc(Cl)c1[O-] ZINC000336405376 522070679 /nfs/dbraw/zinc/07/06/79/522070679.db2.gz ZRDTYFWADRNLKC-UHFFFAOYSA-N -1 1 281.739 2.823 20 0 CFADMM COC[C@@H](C)[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000360383862 522275682 /nfs/dbraw/zinc/27/56/82/522275682.db2.gz XWAWLMDLOHQZMS-RKDXNWHRSA-N -1 1 271.744 2.903 20 0 CFADMM COC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000307776207 522441756 /nfs/dbraw/zinc/44/17/56/522441756.db2.gz NNAWRHAUJSIDOI-NSHDSACASA-N -1 1 283.755 2.687 20 0 CFADMM CN(CC1CCC1)C(=O)c1c(F)ccc([O-])c1F ZINC000336434271 522638024 /nfs/dbraw/zinc/63/80/24/522638024.db2.gz ODGZGQDLRCRCEM-UHFFFAOYSA-N -1 1 255.264 2.543 20 0 CFADMM COCc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000340327926 523032692 /nfs/dbraw/zinc/03/26/92/523032692.db2.gz GOKAJDYUMIDWLK-UHFFFAOYSA-N -1 1 275.279 2.930 20 0 CFADMM COCc1ncsc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000339959068 523243205 /nfs/dbraw/zinc/24/32/05/523243205.db2.gz MMGPCYPODSGPDW-UHFFFAOYSA-N -1 1 298.751 2.901 20 0 CFADMM CN(Cc1ccccc1)C(=O)c1c(F)ccc([O-])c1F ZINC000334885951 523337065 /nfs/dbraw/zinc/33/70/65/523337065.db2.gz SRCSZIVCURJFPE-UHFFFAOYSA-N -1 1 277.270 2.943 20 0 CFADMM CO[C@@H](C)c1nc(=NCCCSCC(C)C)s[n-]1 ZINC000337869986 523457909 /nfs/dbraw/zinc/45/79/09/523457909.db2.gz NDLZIGKCMMSPHZ-JTQLQIEISA-N -1 1 289.470 2.859 20 0 CFADMM Cc1ccc2oc([N-][C@@H](C(N)=O)c3ccc(F)cc3)nc2c1 ZINC000361744292 524096290 /nfs/dbraw/zinc/09/62/90/524096290.db2.gz KPXMTIUWEMENLP-CQSZACIVSA-N -1 1 299.305 2.914 20 0 CFADMM C[C@@H]1CCCC[C@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000335101808 524171113 /nfs/dbraw/zinc/17/11/13/524171113.db2.gz GNNDIOGNFCEOEN-PSASIEDQSA-N -1 1 269.291 2.979 20 0 CFADMM C[C@@H](C(=O)Nc1ccc(F)cc1[O-])C(F)(F)F ZINC000336253175 524255304 /nfs/dbraw/zinc/25/53/04/524255304.db2.gz WECBITJYEGJDBY-YFKPBYRVSA-N -1 1 251.179 2.668 20 0 CFADMM Cc1cc(C)c(NC(=O)c2cncc([O-])c2)c(C)c1 ZINC000082326367 524305355 /nfs/dbraw/zinc/30/53/55/524305355.db2.gz IMJDMOAYQJXQLO-UHFFFAOYSA-N -1 1 256.305 2.965 20 0 CFADMM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000360385596 524355471 /nfs/dbraw/zinc/35/54/71/524355471.db2.gz SBFVUEYVYSWPNT-VHSXEESVSA-N -1 1 289.347 2.679 20 0 CFADMM Cc1cccc(CN(C)C(=O)c2c(F)ccc([O-])c2F)n1 ZINC000336395436 524371257 /nfs/dbraw/zinc/37/12/57/524371257.db2.gz XJFJUPQXNDWTFI-UHFFFAOYSA-N -1 1 292.285 2.646 20 0 CFADMM Cc1cc(CCNC(=O)c2cncc([O-])c2)ccc1Cl ZINC000360609009 524642184 /nfs/dbraw/zinc/64/21/84/524642184.db2.gz ABFDVXSLGXLHBD-UHFFFAOYSA-N -1 1 290.750 2.722 20 0 CFADMM COc1ccncc1CNCc1cccc([O-])c1Cl ZINC000339406978 524856595 /nfs/dbraw/zinc/85/65/95/524856595.db2.gz IRYAIUGVEDRPKH-UHFFFAOYSA-N -1 1 278.739 2.739 20 0 CFADMM Cc1cc(N2CCCC2)ccc1NC(=O)c1cncc([O-])c1 ZINC000171909987 525061388 /nfs/dbraw/zinc/06/13/88/525061388.db2.gz MXLLPISGGZBJFM-UHFFFAOYSA-N -1 1 297.358 2.948 20 0 CFADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccccn1 ZINC000336342915 525305254 /nfs/dbraw/zinc/30/52/54/525305254.db2.gz BIXWQEFAOUEGIQ-MRVPVSSYSA-N -1 1 278.258 2.556 20 0 CFADMM C[C@@H]1C[C@H](C)N1C(=O)c1ccc(Br)cc1[O-] ZINC000336157926 525393845 /nfs/dbraw/zinc/39/38/45/525393845.db2.gz LYBHSSDFMQLSJT-OCAPTIKFSA-N -1 1 284.153 2.778 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cn1 ZINC000336155019 525592686 /nfs/dbraw/zinc/59/26/86/525592686.db2.gz WMGRZAVWVHJPSV-UHFFFAOYSA-N -1 1 276.361 2.808 20 0 CFADMM C[C@@H]1[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1(F)F ZINC000335149483 525673171 /nfs/dbraw/zinc/67/31/71/525673171.db2.gz SXZZJXNLAXYMHG-ANLVUFKYSA-N -1 1 270.210 2.950 20 0 CFADMM Cc1ccoc1CN[C@]1(C(=O)[O-])CCC[C@@H](C)C1 ZINC000340679747 525810118 /nfs/dbraw/zinc/81/01/18/525810118.db2.gz MZAVRKGHTWZVOC-QMTHXVAHSA-N -1 1 251.326 2.711 20 0 CFADMM Cc1cnc(C(=O)N(C)C[C@H]2CC=CCC2)c([O-])c1 ZINC000336352724 525966325 /nfs/dbraw/zinc/96/63/25/525966325.db2.gz FADOVXSQSJQOSZ-LBPRGKRZSA-N -1 1 260.337 2.524 20 0 CFADMM C[C@H](C(=O)Nc1ccc(F)cc1[O-])C(F)(F)F ZINC000336253174 526141776 /nfs/dbraw/zinc/14/17/76/526141776.db2.gz WECBITJYEGJDBY-RXMQYKEDSA-N -1 1 251.179 2.668 20 0 CFADMM O=C([O-])[C@H]1CCCN1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000164084147 526324279 /nfs/dbraw/zinc/32/42/79/526324279.db2.gz FGOHXIUOJRFRRR-LLVKDONJSA-N -1 1 291.244 2.894 20 0 CFADMM CC(C)(C)OC(=O)CCNC(=O)c1ccc(Cl)cc1[O-] ZINC000174444407 526358909 /nfs/dbraw/zinc/35/89/09/526358909.db2.gz NWLNBFDTILJBMU-UHFFFAOYSA-N -1 1 299.754 2.507 20 0 CFADMM O=C([O-])c1ccc(CN2Cc3ccccc3C2)cc1 ZINC000050911530 526365621 /nfs/dbraw/zinc/36/56/21/526365621.db2.gz IITJZSCTMCKNPV-UHFFFAOYSA-N -1 1 253.301 2.901 20 0 CFADMM Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000335022038 526518368 /nfs/dbraw/zinc/51/83/68/526518368.db2.gz RDZQCXRAZAGMQO-LURJTMIESA-N -1 1 295.289 2.753 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1c1cccnc1 ZINC000334700356 526623422 /nfs/dbraw/zinc/62/34/22/526623422.db2.gz PRGUYEYCDQLHLY-CQSZACIVSA-N -1 1 286.306 2.904 20 0 CFADMM O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(F)cc1[O-] ZINC000340327994 526652730 /nfs/dbraw/zinc/65/27/30/526652730.db2.gz JYRQBMWJMXGHLK-UHFFFAOYSA-N -1 1 299.305 2.979 20 0 CFADMM Cc1nc(C(=O)Nc2ccc(F)cc2[O-])c(C)s1 ZINC000334976420 526657344 /nfs/dbraw/zinc/65/73/44/526657344.db2.gz XTFBHEBLVUBLPR-UHFFFAOYSA-N -1 1 266.297 2.857 20 0 CFADMM O=C(c1ccc(O)cc1[O-])N1CC2(CC2)c2ccccc21 ZINC000172433524 526703731 /nfs/dbraw/zinc/70/37/31/526703731.db2.gz NQSVUBKKIVQBTR-UHFFFAOYSA-N -1 1 281.311 2.790 20 0 CFADMM NC(=O)[C@H]1CCC[C@H](C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000336043647 526833644 /nfs/dbraw/zinc/83/36/44/526833644.db2.gz VXDWQWIGHSMJHX-IUCAKERBSA-N -1 1 280.299 2.811 20 0 CFADMM O=C(COCc1ccccc1)Nc1ccc(F)cc1[O-] ZINC000340330065 526941251 /nfs/dbraw/zinc/94/12/51/526941251.db2.gz NMIKEQKJZLJWBL-UHFFFAOYSA-N -1 1 275.279 2.687 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCCSC1 ZINC000336395559 527213601 /nfs/dbraw/zinc/21/36/01/527213601.db2.gz BQJVISKYSOOHBW-MRVPVSSYSA-N -1 1 255.314 2.613 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CC(=O)c2ccccc21 ZINC000334859212 527214144 /nfs/dbraw/zinc/21/41/44/527214144.db2.gz IVBDDZQDTGSWSE-LBPRGKRZSA-N -1 1 285.274 2.840 20 0 CFADMM O=S(=O)([N-]C[C@@H]1CCCS1)c1sccc1Cl ZINC000336264637 527224327 /nfs/dbraw/zinc/22/43/27/527224327.db2.gz INYIJKMXTUMSNQ-ZETCQYMHSA-N -1 1 297.854 2.575 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnn2ccccc12 ZINC000227686710 527236405 /nfs/dbraw/zinc/23/64/05/527236405.db2.gz MYKUZDSQZQWVAA-UHFFFAOYSA-N -1 1 287.706 2.946 20 0 CFADMM O=S(=O)([N-][C@H]1CC=CCC1)c1sccc1Cl ZINC000336256694 527241780 /nfs/dbraw/zinc/24/17/80/527241780.db2.gz QMUXNAFMUGKTHA-QMMMGPOBSA-N -1 1 277.798 2.789 20 0 CFADMM O=C(Nc1ccc2cc[nH]c2c1)c1cncc([O-])c1 ZINC000193259214 527295861 /nfs/dbraw/zinc/29/58/61/527295861.db2.gz YHQAFGBPAJRDDN-UHFFFAOYSA-N -1 1 253.261 2.521 20 0 CFADMM Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000335195659 527307749 /nfs/dbraw/zinc/30/77/49/527307749.db2.gz SDENYLKTQBSSOE-WDEREUQCSA-N -1 1 291.738 2.521 20 0 CFADMM CC(C)OCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000168693718 527975454 /nfs/dbraw/zinc/97/54/54/527975454.db2.gz ZJBKNPHMAKZALL-UHFFFAOYSA-N -1 1 273.332 2.700 20 0 CFADMM CCOCCC1(CNC(=O)c2c([O-])cccc2F)CCC1 ZINC000130112164 528630738 /nfs/dbraw/zinc/63/07/38/528630738.db2.gz GIDXXYSQQCTQNM-UHFFFAOYSA-N -1 1 295.354 2.858 20 0 CFADMM CCC[C@@H](C)C[C@@H](NCc1occc1C)C(=O)[O-] ZINC000426819833 528881775 /nfs/dbraw/zinc/88/17/75/528881775.db2.gz JDVBJDCKVRJVPP-ZYHUDNBSSA-N -1 1 253.342 2.957 20 0 CFADMM CCCC[C@H](C)N(C)C(=O)c1ncc(C)cc1[O-] ZINC000428153341 528892560 /nfs/dbraw/zinc/89/25/60/528892560.db2.gz LHBZSUDPADCJED-NSHDSACASA-N -1 1 250.342 2.746 20 0 CFADMM CCC[C@@H](N=c1nc(COC)[n-]s1)C1CCCC1 ZINC000413453456 528965864 /nfs/dbraw/zinc/96/58/64/528965864.db2.gz KRWDQGGRAPRQQU-LLVKDONJSA-N -1 1 269.414 2.877 20 0 CFADMM CCC[C@@H](NC(=O)CCC1CCCCC1)c1nn[n-]n1 ZINC000176777150 528971130 /nfs/dbraw/zinc/97/11/30/528971130.db2.gz RZBIVGCJHWMLQJ-GFCCVEGCSA-N -1 1 279.388 2.518 20 0 CFADMM CC(C)(CNC(=O)c1c([O-])cccc1F)C1(O)CCCC1 ZINC000456843945 535139044 /nfs/dbraw/zinc/13/90/44/535139044.db2.gz PJWJKYFENKMIBY-UHFFFAOYSA-N -1 1 295.354 2.592 20 0 CFADMM CC(C)(C)c1nc(=NC[C@@H]2CCCCN2C2CC2)s[n-]1 ZINC000433807203 535159842 /nfs/dbraw/zinc/15/98/42/535159842.db2.gz DNFFLQYVVAALID-LBPRGKRZSA-N -1 1 294.468 2.686 20 0 CFADMM CC[C@H](C)C(=O)N=c1cc(-c2cc(C)ccc2F)[n-][nH]1 ZINC000444787844 536112372 /nfs/dbraw/zinc/11/23/72/536112372.db2.gz SQEWSUFFBBXKBJ-JTQLQIEISA-N -1 1 275.327 2.931 20 0 CFADMM CSc1cc(C)ccc1-c1nc(C)cc2c1C(=O)[N-]C2=O ZINC001243382830 782173291 /nfs/dbraw/zinc/17/32/91/782173291.db2.gz POHOVYONBINOST-UHFFFAOYSA-N -1 1 298.367 2.971 20 0 CFADMM O=C(Nc1ccncc1[O-])c1cc(C2CC2)oc1C1CC1 ZINC000935125207 649877758 /nfs/dbraw/zinc/87/77/58/649877758.db2.gz HFGXVHPIOBPACS-UHFFFAOYSA-N -1 1 284.315 2.809 20 0 CFADMM CCOc1cc(C)ccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001243403687 782185829 /nfs/dbraw/zinc/18/58/29/782185829.db2.gz HEOFAEMOBXBNAK-UHFFFAOYSA-N -1 1 281.319 2.636 20 0 CFADMM CCOc1cc(C)ccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001243403687 782185832 /nfs/dbraw/zinc/18/58/32/782185832.db2.gz HEOFAEMOBXBNAK-UHFFFAOYSA-N -1 1 281.319 2.636 20 0 CFADMM C[C@@H](c1cccc(O)c1)N(C)Cc1occc1C(=O)[O-] ZINC000736716467 574067947 /nfs/dbraw/zinc/06/79/47/574067947.db2.gz HOYIOSDRYAYZAJ-JTQLQIEISA-N -1 1 275.304 2.876 20 0 CFADMM O=C(COC(=O)c1c([O-])cc(F)cc1F)C1CCCC1 ZINC000744880171 574091888 /nfs/dbraw/zinc/09/18/88/574091888.db2.gz JSNPWIUQGYJRQY-UHFFFAOYSA-N -1 1 284.258 2.587 20 0 CFADMM C[C@@H]1CSCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000754494615 574098545 /nfs/dbraw/zinc/09/85/45/574098545.db2.gz JSYWFTHWGYLEGN-VIFPVBQESA-N -1 1 285.796 2.871 20 0 CFADMM CCN1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000737113139 574113336 /nfs/dbraw/zinc/11/33/36/574113336.db2.gz ALCSEPBRAPYYJK-ZDUSSCGKSA-N -1 1 291.351 2.589 20 0 CFADMM O=C([N-]c1cnoc1)c1cc(F)c(Cl)nc1Cl ZINC000728824274 574118019 /nfs/dbraw/zinc/11/80/19/574118019.db2.gz PUMMLUYGYGXMRG-UHFFFAOYSA-N -1 1 276.054 2.768 20 0 CFADMM O=C([O-])NC[C@H](NCc1c(F)cccc1Cl)C1CC1 ZINC000740615270 574126836 /nfs/dbraw/zinc/12/68/36/574126836.db2.gz WXHHVQNUZYSQKZ-LBPRGKRZSA-N -1 1 286.734 2.615 20 0 CFADMM CC(C)c1ocnc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000731876642 574131774 /nfs/dbraw/zinc/13/17/74/574131774.db2.gz HMRWKBZQWARTFU-UHFFFAOYSA-N -1 1 288.279 2.839 20 0 CFADMM Clc1ccc(NCCCC2CC2)nc1-c1nnn[n-]1 ZINC000737573046 574147934 /nfs/dbraw/zinc/14/79/34/574147934.db2.gz DTJSBVJIEMAVMW-UHFFFAOYSA-N -1 1 278.747 2.517 20 0 CFADMM Clc1ccc(NCCCC2CC2)nc1-c1nn[n-]n1 ZINC000737573046 574147937 /nfs/dbraw/zinc/14/79/37/574147937.db2.gz DTJSBVJIEMAVMW-UHFFFAOYSA-N -1 1 278.747 2.517 20 0 CFADMM CC(C)Oc1ccc(CN2CCCN(C(=O)[O-])CC2)cc1 ZINC000737644405 574151560 /nfs/dbraw/zinc/15/15/60/574151560.db2.gz UDZUTFVBZTZQHX-UHFFFAOYSA-N -1 1 292.379 2.660 20 0 CFADMM Cc1[nH]ncc1C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000738249521 574161320 /nfs/dbraw/zinc/16/13/20/574161320.db2.gz VGNQRKWFRPNBIF-UHFFFAOYSA-N -1 1 287.319 2.792 20 0 CFADMM c1ccc2c(c1)SC[C@@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000738413443 574167934 /nfs/dbraw/zinc/16/79/34/574167934.db2.gz QTKIXNMSXKVZHD-NSHDSACASA-N -1 1 296.359 2.521 20 0 CFADMM c1ccc2c(c1)SC[C@@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000738413443 574167936 /nfs/dbraw/zinc/16/79/36/574167936.db2.gz QTKIXNMSXKVZHD-NSHDSACASA-N -1 1 296.359 2.521 20 0 CFADMM Cc1ccc(-c2cnn(C[N@H+]3CCC[C@H](C(=O)[O-])C3)c2)cc1 ZINC000738489036 574170667 /nfs/dbraw/zinc/17/06/67/574170667.db2.gz ZCFJDLULQHEZML-HNNXBMFYSA-N -1 1 299.374 2.613 20 0 CFADMM Cc1ccc(-c2cnn(CN3CCC[C@H](C(=O)[O-])C3)c2)cc1 ZINC000738489036 574170669 /nfs/dbraw/zinc/17/06/69/574170669.db2.gz ZCFJDLULQHEZML-HNNXBMFYSA-N -1 1 299.374 2.613 20 0 CFADMM Cc1ccc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)cc1C ZINC000747228551 574188327 /nfs/dbraw/zinc/18/83/27/574188327.db2.gz IPYGZXKHXGHPGX-UHFFFAOYSA-N -1 1 294.376 2.918 20 0 CFADMM Cc1ccc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)cc1C ZINC000747228551 574188329 /nfs/dbraw/zinc/18/83/29/574188329.db2.gz IPYGZXKHXGHPGX-UHFFFAOYSA-N -1 1 294.376 2.918 20 0 CFADMM C[C@H](c1c(F)cccc1F)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739054136 574194780 /nfs/dbraw/zinc/19/47/80/574194780.db2.gz PFZPTZXEDFJVOK-NXEZZACHSA-N -1 1 284.306 2.615 20 0 CFADMM C[C@@H](c1ccc(F)cc1)N1CCCN(C(=O)[O-])CC1 ZINC000739059755 574195461 /nfs/dbraw/zinc/19/54/61/574195461.db2.gz VZVXZIASEMTRDC-NSHDSACASA-N -1 1 266.316 2.572 20 0 CFADMM Cc1ccc([C@@H](NCc2cccnc2Cl)C(=O)[O-])cc1 ZINC000756282680 574221265 /nfs/dbraw/zinc/22/12/65/574221265.db2.gz NWIXOJWRMCYDMS-CYBMUJFWSA-N -1 1 290.750 2.959 20 0 CFADMM Cc1ccc([C@H](NCc2cccnc2Cl)C(=O)[O-])cc1 ZINC000756282681 574221466 /nfs/dbraw/zinc/22/14/66/574221466.db2.gz NWIXOJWRMCYDMS-ZDUSSCGKSA-N -1 1 290.750 2.959 20 0 CFADMM Cc1cc(CNCc2ccccc2CC(=O)[O-])c(C)o1 ZINC000756299519 574222544 /nfs/dbraw/zinc/22/25/44/574222544.db2.gz HIBYYDPDNMEYFQ-UHFFFAOYSA-N -1 1 273.332 2.813 20 0 CFADMM C[N@@H+](CCNC(=O)[O-])Cc1cccc2ccccc21 ZINC000739697587 574223290 /nfs/dbraw/zinc/22/32/90/574223290.db2.gz MKFPFTFDANVPKW-UHFFFAOYSA-N -1 1 258.321 2.539 20 0 CFADMM COc1ccc(Cl)cc1CNCCN(C(=O)[O-])C1CC1 ZINC000739908162 574229253 /nfs/dbraw/zinc/22/92/53/574229253.db2.gz WJCPYBFRAOJVPR-UHFFFAOYSA-N -1 1 298.770 2.581 20 0 CFADMM CC[C@@H](C)COC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000756388883 574232690 /nfs/dbraw/zinc/23/26/90/574232690.db2.gz CYHVHHODQBQTSI-LLVKDONJSA-N -1 1 299.392 2.651 20 0 CFADMM Cc1ccc(-c2cnn(CN3CCC(C(=O)[O-])CC3)c2)cc1 ZINC000740093888 574235510 /nfs/dbraw/zinc/23/55/10/574235510.db2.gz BMWJHICPSLJZSR-UHFFFAOYSA-N -1 1 299.374 2.613 20 0 CFADMM O=C(OCC[C@H]1CCCC1=O)c1c([O-])cc(F)cc1F ZINC000748185491 574236227 /nfs/dbraw/zinc/23/62/27/574236227.db2.gz XSICXYUTYZCGIX-MRVPVSSYSA-N -1 1 284.258 2.587 20 0 CFADMM CC(C)c1ccc(C(=O)N(C)c2cn[nH]c2)c([O-])c1 ZINC000748387796 574249765 /nfs/dbraw/zinc/24/97/65/574249765.db2.gz CQIKFJXLOCXTJL-UHFFFAOYSA-N -1 1 259.309 2.515 20 0 CFADMM O=C([O-])Nc1ccc(NC(=O)c2cnc3[nH]cccc2-3)cc1 ZINC000740711029 574263311 /nfs/dbraw/zinc/26/33/11/574263311.db2.gz PYQJRZKISFMQFV-UHFFFAOYSA-N -1 1 296.286 2.905 20 0 CFADMM C[C@H](NC(=O)c1cncc([O-])c1)c1nc2ccccc2s1 ZINC000734178270 574277495 /nfs/dbraw/zinc/27/74/95/574277495.db2.gz NUWJWTMHWIJVKD-VIFPVBQESA-N -1 1 299.355 2.888 20 0 CFADMM O=C(NCc1cccc(F)n1)c1cc(Cl)ccc1[O-] ZINC000749168425 574283377 /nfs/dbraw/zinc/28/33/77/574283377.db2.gz YMWVOYRBEJXGOI-UHFFFAOYSA-N -1 1 280.686 2.510 20 0 CFADMM COc1ccc(CN(C)Cc2ccoc2C(=O)[O-])cc1C ZINC000737994979 574316419 /nfs/dbraw/zinc/31/64/19/574316419.db2.gz NIHCXRQAHRZDKZ-UHFFFAOYSA-N -1 1 289.331 2.927 20 0 CFADMM C[C@H](c1c(F)cccc1F)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739054141 574332874 /nfs/dbraw/zinc/33/28/74/574332874.db2.gz PFZPTZXEDFJVOK-ZJUUUORDSA-N -1 1 284.306 2.615 20 0 CFADMM C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000739055943 574335682 /nfs/dbraw/zinc/33/56/82/574335682.db2.gz YNLVSMBKRVWCCV-QWRGUYRKSA-N -1 1 282.771 2.991 20 0 CFADMM C[C@H]1CCC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736247915 574357466 /nfs/dbraw/zinc/35/74/66/574357466.db2.gz BHPUURHDGBKRGM-IUCAKERBSA-N -1 1 292.774 2.906 20 0 CFADMM C[C@H]1CCC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736247915 574357467 /nfs/dbraw/zinc/35/74/67/574357467.db2.gz BHPUURHDGBKRGM-IUCAKERBSA-N -1 1 292.774 2.906 20 0 CFADMM Cc1noc(Cl)c1CC(=O)Nc1c([O-])cccc1F ZINC000743416937 574363068 /nfs/dbraw/zinc/36/30/68/574363068.db2.gz UBZDOTKYXCPVHH-UHFFFAOYSA-N -1 1 284.674 2.662 20 0 CFADMM CCC(CC)Nc1c(-c2nn[nH]n2)c[nH+]c2c(C)cccc12 ZINC000736345798 574364265 /nfs/dbraw/zinc/36/42/65/574364265.db2.gz LPXHPDWQMLOTOO-UHFFFAOYSA-N -1 1 296.378 2.746 20 0 CFADMM CC[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736400810 574367458 /nfs/dbraw/zinc/36/74/58/574367458.db2.gz CQEOEHQXBBZPTO-VIFPVBQESA-N -1 1 292.774 2.542 20 0 CFADMM CC[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736400810 574367460 /nfs/dbraw/zinc/36/74/60/574367460.db2.gz CQEOEHQXBBZPTO-VIFPVBQESA-N -1 1 292.774 2.542 20 0 CFADMM CC1(CC(=O)[N-]OCC(F)(F)F)CCCCC1 ZINC000753117688 574398831 /nfs/dbraw/zinc/39/88/31/574398831.db2.gz OSBXOZISDSPSFY-UHFFFAOYSA-N -1 1 253.264 2.957 20 0 CFADMM O=C([N-][C@H](C[C@H]1CCOC1)c1ccccc1)C(F)(F)F ZINC000753768100 574409931 /nfs/dbraw/zinc/40/99/31/574409931.db2.gz JIRMSQNVHXCFLM-ZYHUDNBSSA-N -1 1 287.281 2.833 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CC2(CC(F)C2)C1 ZINC000753820121 574410741 /nfs/dbraw/zinc/41/07/41/574410741.db2.gz MMCHILPXVBBUED-UHFFFAOYSA-N -1 1 269.703 2.620 20 0 CFADMM CC(C)(C)n1cc(CNCc2ccc(C(=O)[O-])cc2)cn1 ZINC000262590123 597136996 /nfs/dbraw/zinc/13/69/96/597136996.db2.gz UQDLWOJNFAGTHY-UHFFFAOYSA-N -1 1 287.363 2.626 20 0 CFADMM Fc1cccc(Oc2ccc(Cl)nc2)c1-c1nnn[n-]1 ZINC000822792468 607305658 /nfs/dbraw/zinc/30/56/58/607305658.db2.gz XPRJYHMQTSWSRG-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM Fc1cccc(Oc2ccc(Cl)nc2)c1-c1nn[n-]n1 ZINC000822792468 607305659 /nfs/dbraw/zinc/30/56/59/607305659.db2.gz XPRJYHMQTSWSRG-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM O=C([O-])C[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000086757597 598151674 /nfs/dbraw/zinc/15/16/74/598151674.db2.gz QIRDGQXARZQRHV-SNVBAGLBSA-N -1 1 269.291 2.652 20 0 CFADMM Cn1nc(CNCc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000821314937 598194310 /nfs/dbraw/zinc/19/43/10/598194310.db2.gz DHAJYYFZJVGWDU-UHFFFAOYSA-N -1 1 295.342 2.561 20 0 CFADMM Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000820934322 598213138 /nfs/dbraw/zinc/21/31/38/598213138.db2.gz YLEUZEISTZTRNW-UHFFFAOYSA-N -1 1 295.245 2.606 20 0 CFADMM O=C([O-])CCN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000821524479 598216170 /nfs/dbraw/zinc/21/61/70/598216170.db2.gz CNCLYNPALCTPRZ-KRWDZBQOSA-N -1 1 296.326 2.982 20 0 CFADMM COc1ccccc1[C@H](N[C@H](C)CC(=O)[O-])c1ccco1 ZINC000820876272 598217234 /nfs/dbraw/zinc/21/72/34/598217234.db2.gz AMYLQEVHAXINPV-BZNIZROVSA-N -1 1 289.331 2.830 20 0 CFADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900142904 620642015 /nfs/dbraw/zinc/64/20/15/620642015.db2.gz XZGITSDTYCEYHC-CMPLNLGQSA-N -1 1 289.379 2.710 20 0 CFADMM CN(CC(=O)[O-])Cc1ccc(Cl)cc1Br ZINC000132977643 600331190 /nfs/dbraw/zinc/33/11/90/600331190.db2.gz NMGQSBZGVNKSIQ-UHFFFAOYSA-N -1 1 292.560 2.619 20 0 CFADMM C/C(=C/CN(C)[C@@H](C)c1ccccc1F)C(=O)[O-] ZINC000088630694 601051525 /nfs/dbraw/zinc/05/15/25/601051525.db2.gz OMVMIFRLVISUCV-IEHMKBBKSA-N -1 1 251.301 2.849 20 0 CFADMM Cc1ccc(C)c(N(C)Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826284877 607489326 /nfs/dbraw/zinc/48/93/26/607489326.db2.gz IVAYFYKLTYJLJZ-UHFFFAOYSA-N -1 1 294.362 2.515 20 0 CFADMM Cc1ccc(C)c(N(C)Cc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826284877 607489327 /nfs/dbraw/zinc/48/93/27/607489327.db2.gz IVAYFYKLTYJLJZ-UHFFFAOYSA-N -1 1 294.362 2.515 20 0 CFADMM C[C@H]1CN(CC(=O)Nc2ccsc2C(=O)[O-])C(C)(C)C1 ZINC000828441046 601120230 /nfs/dbraw/zinc/12/02/30/601120230.db2.gz ONLIFPNKPPZXNH-SECBINFHSA-N -1 1 296.392 2.505 20 0 CFADMM C/C(=C/CN1CCc2cc(F)ccc2[C@@H]1C)C(=O)[O-] ZINC000825746114 601170315 /nfs/dbraw/zinc/17/03/15/601170315.db2.gz FINRCCSLKZPRRH-VQNWOSHQSA-N -1 1 263.312 2.776 20 0 CFADMM COc1ccc(CN2CCC(C(=O)[O-])CC2)c(Cl)c1 ZINC000003747707 601377740 /nfs/dbraw/zinc/37/77/40/601377740.db2.gz JNDYJCJWNPCLLM-UHFFFAOYSA-N -1 1 283.755 2.645 20 0 CFADMM O=C([O-])c1ccoc1CN1CCC[C@@H]1c1ccccn1 ZINC000833333383 601389103 /nfs/dbraw/zinc/38/91/03/601389103.db2.gz FONCCCDTSUTVAY-CYBMUJFWSA-N -1 1 272.304 2.710 20 0 CFADMM CC[C@@H]1CCCC[C@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900187093 620648627 /nfs/dbraw/zinc/64/86/27/620648627.db2.gz DXDBAXFTUJZYAQ-ZWNOBZJWSA-N -1 1 289.379 2.758 20 0 CFADMM Cc1ccc(C)c(OCCCN2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000832925192 601437216 /nfs/dbraw/zinc/43/72/16/601437216.db2.gz GRPVPJKFIDXXGB-INIZCTEOSA-N -1 1 295.354 2.571 20 0 CFADMM Cc1cc(CN2CC[C@@](F)(C(=O)[O-])C2)c2ccccc2n1 ZINC000832882661 601438104 /nfs/dbraw/zinc/43/81/04/601438104.db2.gz KWNVHUNNXOZQMK-INIZCTEOSA-N -1 1 288.322 2.542 20 0 CFADMM CC[C@H]1CCCC[C@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900187091 620648730 /nfs/dbraw/zinc/64/87/30/620648730.db2.gz DXDBAXFTUJZYAQ-GXFFZTMASA-N -1 1 289.379 2.758 20 0 CFADMM C[C@@H]1CN(Cc2csc(C3CCCC3)n2)C[C@H]1C(=O)[O-] ZINC000828465326 601514611 /nfs/dbraw/zinc/51/46/11/601514611.db2.gz WZJKNHNWFDEFLF-ZWNOBZJWSA-N -1 1 294.420 2.953 20 0 CFADMM C[C@@H]1CN(Cc2csc(-c3ccco3)n2)C[C@H]1C(=O)[O-] ZINC000235406211 601533247 /nfs/dbraw/zinc/53/32/47/601533247.db2.gz UJZCVRFMTALLEV-MWLCHTKSSA-N -1 1 292.360 2.556 20 0 CFADMM Cc1cc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])on1 ZINC000832883557 601654683 /nfs/dbraw/zinc/65/46/83/601654683.db2.gz XSKJNCSNYFHVRG-BXUZGUMPSA-N -1 1 274.320 2.535 20 0 CFADMM O=C([O-])c1cc(CNC2(c3ccccc3F)CC2)c[nH]1 ZINC000833296583 601834827 /nfs/dbraw/zinc/83/48/27/601834827.db2.gz JNBZCBJZHDSECP-UHFFFAOYSA-N -1 1 274.295 2.631 20 0 CFADMM C[C@]1(C(=O)[O-])CCN(Cc2c(F)cccc2Cl)C1 ZINC000062935408 601926641 /nfs/dbraw/zinc/92/66/41/601926641.db2.gz PTXWPXUKQYPQIP-ZDUSSCGKSA-N -1 1 271.719 2.776 20 0 CFADMM O=C([O-])c1ccc(CN2CCCC[C@H]2c2cn[nH]c2)s1 ZINC000833312887 601956073 /nfs/dbraw/zinc/95/60/73/601956073.db2.gz JCEDWQGJYXWVNX-LBPRGKRZSA-N -1 1 291.376 2.897 20 0 CFADMM CCN(Cc1ccsc1C(=O)[O-])Cc1ccccn1 ZINC000094919654 601963330 /nfs/dbraw/zinc/96/33/30/601963330.db2.gz AOZTZXKKGOIJLW-UHFFFAOYSA-N -1 1 276.361 2.863 20 0 CFADMM CC[C@](C)(CC(=O)[O-])NCc1ncc(C(C)C)o1 ZINC000828671929 602223569 /nfs/dbraw/zinc/22/35/69/602223569.db2.gz IRFFUOTYPKJJNB-CYBMUJFWSA-N -1 1 254.330 2.531 20 0 CFADMM COc1cc(C)ccc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900289263 620658274 /nfs/dbraw/zinc/65/82/74/620658274.db2.gz LMCAGQGEBWTRSZ-UHFFFAOYSA-N -1 1 299.330 2.629 20 0 CFADMM C[C@H](c1ccc(F)cc1)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825629685 603790619 /nfs/dbraw/zinc/79/06/19/603790619.db2.gz GLJSPEVVPKNJOF-MFKMUULPSA-N -1 1 266.316 2.571 20 0 CFADMM CC1CCC(CNC(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC000900347592 620665398 /nfs/dbraw/zinc/66/53/98/620665398.db2.gz XRTNIASMLJNVNB-UHFFFAOYSA-N -1 1 289.379 2.616 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccnc(Cl)c2)C1 ZINC000825273370 604164903 /nfs/dbraw/zinc/16/49/03/604164903.db2.gz PHCBGUQSGFWFIJ-ZYHUDNBSSA-N -1 1 297.786 2.603 20 0 CFADMM Cc1nccc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1Cl ZINC000900401033 620670178 /nfs/dbraw/zinc/67/01/78/620670178.db2.gz SYGUXIPEKIOWEA-WDEREUQCSA-N -1 1 280.755 2.590 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2cccc(Cl)n2)C1 ZINC000825264539 604204194 /nfs/dbraw/zinc/20/41/94/604204194.db2.gz LJCOGRYXFQYKRS-MNOVXSKESA-N -1 1 297.786 2.603 20 0 CFADMM O=C([O-])NC1(CC(=O)Nc2cccc(Cl)c2O)CCC1 ZINC000832211294 604222754 /nfs/dbraw/zinc/22/27/54/604222754.db2.gz XDMGTCWDTUNMKH-UHFFFAOYSA-N -1 1 298.726 2.565 20 0 CFADMM O=C([O-])N(CC1CC1)C1CCN(CCC(F)(F)F)CC1 ZINC000831826982 604228790 /nfs/dbraw/zinc/22/87/90/604228790.db2.gz XSYCQIGTHGGMBR-UHFFFAOYSA-N -1 1 294.317 2.793 20 0 CFADMM Cc1cc(C)cc(CN(C)[C@H](COC(C)C)C(=O)[O-])c1 ZINC000832877721 604402717 /nfs/dbraw/zinc/40/27/17/604402717.db2.gz XDPBWAWLZZYBBP-OAHLLOKOSA-N -1 1 279.380 2.613 20 0 CFADMM C/C(=C\C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)C1CC1 ZINC000833381136 604484376 /nfs/dbraw/zinc/48/43/76/604484376.db2.gz BUQLZGJVINYIDY-BQYQJAHWSA-N -1 1 285.303 2.556 20 0 CFADMM O=C([O-])c1cc(CN2CCS[C@@H]3CCCC[C@H]32)c[nH]1 ZINC000833779971 604663890 /nfs/dbraw/zinc/66/38/90/604663890.db2.gz PSOOCLXBXKVBLF-CHWSQXEVSA-N -1 1 280.393 2.573 20 0 CFADMM C[C@@H]1CN(Cc2cccc(Cl)c2F)C[C@@H]1C(=O)[O-] ZINC000167039979 604670245 /nfs/dbraw/zinc/67/02/45/604670245.db2.gz GOXFOTCYWVPOAU-SCZZXKLOSA-N -1 1 271.719 2.632 20 0 CFADMM C[C@H](c1ccccc1Cl)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833548617 604984259 /nfs/dbraw/zinc/98/42/59/604984259.db2.gz FRZAHLMHCUNBPU-YGRLFVJLSA-N -1 1 297.782 2.559 20 0 CFADMM CC(C)C[C@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824228089 607731197 /nfs/dbraw/zinc/73/11/97/607731197.db2.gz DXUNXSBBTLFUOA-QMMMGPOBSA-N -1 1 280.763 2.762 20 0 CFADMM CC(C)C[C@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824228089 607731199 /nfs/dbraw/zinc/73/11/99/607731199.db2.gz DXUNXSBBTLFUOA-QMMMGPOBSA-N -1 1 280.763 2.762 20 0 CFADMM C/C(=C/CN[C@H](C)c1cc(F)ccc1F)C(=O)[O-] ZINC000833381452 605066003 /nfs/dbraw/zinc/06/60/03/605066003.db2.gz CAUYXMDIUNMAMT-BZJXQOFCSA-N -1 1 255.264 2.646 20 0 CFADMM CC(C)(C)C[C@H](Sc1nnc(C2CC2)[nH]1)C(=O)[O-] ZINC000833428870 605149403 /nfs/dbraw/zinc/14/94/03/605149403.db2.gz AVKFWCFDWKUBEZ-QMMMGPOBSA-N -1 1 269.370 2.664 20 0 CFADMM CC(C)(C)C[C@H](Sc1n[nH]c(C2CC2)n1)C(=O)[O-] ZINC000833428870 605149407 /nfs/dbraw/zinc/14/94/07/605149407.db2.gz AVKFWCFDWKUBEZ-QMMMGPOBSA-N -1 1 269.370 2.664 20 0 CFADMM CCCc1nc(CN[C@](C)(CNC(=O)[O-])C2CC2)cs1 ZINC000826954293 605170404 /nfs/dbraw/zinc/17/04/04/605170404.db2.gz POGQXHNIRWTHBK-CQSZACIVSA-N -1 1 297.424 2.622 20 0 CFADMM C[C@@H](c1ccco1)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000833548650 605293959 /nfs/dbraw/zinc/29/39/59/605293959.db2.gz GJKFNAYMEDYPKL-LBPRGKRZSA-N -1 1 289.331 2.936 20 0 CFADMM Cc1ccc(CN(C[C@H]2CC(C(=O)[O-])=C(C)O2)C2CC2)o1 ZINC000833584607 605324277 /nfs/dbraw/zinc/32/42/77/605324277.db2.gz QJALFYLBOSUMHT-CQSZACIVSA-N -1 1 291.347 2.700 20 0 CFADMM CCCN(Cc1ncc(CC)o1)C1CCN(C(=O)[O-])CC1 ZINC000826916330 605469834 /nfs/dbraw/zinc/46/98/34/605469834.db2.gz KAPOWYNJSULQBI-UHFFFAOYSA-N -1 1 295.383 2.591 20 0 CFADMM O=C([O-])N1CCCN(Cc2coc3ccccc23)CC1 ZINC000834108661 605476068 /nfs/dbraw/zinc/47/60/68/605476068.db2.gz BUPWEQYCCQWLBV-UHFFFAOYSA-N -1 1 274.320 2.619 20 0 CFADMM CCCC[C@@H](CNC(=O)[O-])N[C@@H](C)c1csc(C)n1 ZINC000826806721 605479276 /nfs/dbraw/zinc/47/92/76/605479276.db2.gz PVIPZEWQFFYGJK-ONGXEEELSA-N -1 1 285.413 2.929 20 0 CFADMM Cc1cc(CN[C@H](C)C[C@@H]2CCCCCN2C(=O)[O-])no1 ZINC000830041353 605495342 /nfs/dbraw/zinc/49/53/42/605495342.db2.gz KQJYMRJFENNVAR-RISCZKNCSA-N -1 1 295.383 2.774 20 0 CFADMM O=C([O-])N1CCCC[C@@H]1C(=O)Nc1cccc(Cl)c1O ZINC000834052754 605540220 /nfs/dbraw/zinc/54/02/20/605540220.db2.gz GKSOAFJZZPFLAD-SNVBAGLBSA-N -1 1 298.726 2.517 20 0 CFADMM CCc1ncc(CN2CCC[C@@H](C)[C@@H]2CNC(=O)[O-])s1 ZINC000833865654 605605406 /nfs/dbraw/zinc/60/54/06/605605406.db2.gz BBXGHXIOPJICDQ-PWSUYJOCSA-N -1 1 297.424 2.574 20 0 CFADMM CC[C@]1(C)COCCN1Cc1cccc(NC(=O)[O-])c1 ZINC000833847702 605618427 /nfs/dbraw/zinc/61/84/27/605618427.db2.gz ZINFYFWSTAHWPJ-OAHLLOKOSA-N -1 1 278.352 2.777 20 0 CFADMM O=C([O-])N1CC[C@H](N(Cc2ccc(Cl)o2)C2CC2)C1 ZINC000834085870 605621160 /nfs/dbraw/zinc/62/11/60/605621160.db2.gz WKZATXDIGVNHNO-JTQLQIEISA-N -1 1 284.743 2.650 20 0 CFADMM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(Cl)c1O ZINC000833454390 605709212 /nfs/dbraw/zinc/70/92/12/605709212.db2.gz MAEHPBUNHQEOAC-UHFFFAOYSA-N -1 1 285.727 2.875 20 0 CFADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](OC(F)F)C1 ZINC000833547123 605856073 /nfs/dbraw/zinc/85/60/73/605856073.db2.gz QBRINUFTTUNBKF-DTWKUNHWSA-N -1 1 289.278 2.742 20 0 CFADMM O=C(OCCC1CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823400576 606136585 /nfs/dbraw/zinc/13/65/85/606136585.db2.gz GYNAQHJRWZTOID-UHFFFAOYSA-N -1 1 292.364 2.665 20 0 CFADMM O=C(OCCC1CCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823400576 606136586 /nfs/dbraw/zinc/13/65/86/606136586.db2.gz GYNAQHJRWZTOID-UHFFFAOYSA-N -1 1 292.364 2.665 20 0 CFADMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)C1CC1 ZINC000820449995 606447919 /nfs/dbraw/zinc/44/79/19/606447919.db2.gz FTOQHJQORLGJTQ-SECBINFHSA-N -1 1 280.335 2.625 20 0 CFADMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)C1CC1 ZINC000820449995 606447920 /nfs/dbraw/zinc/44/79/20/606447920.db2.gz FTOQHJQORLGJTQ-SECBINFHSA-N -1 1 280.335 2.625 20 0 CFADMM c1cc([C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)cs1 ZINC000823743047 606456236 /nfs/dbraw/zinc/45/62/36/606456236.db2.gz RBXNKFDPELSQOA-LBPRGKRZSA-N -1 1 298.375 2.665 20 0 CFADMM c1cc([C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)cs1 ZINC000823743047 606456237 /nfs/dbraw/zinc/45/62/37/606456237.db2.gz RBXNKFDPELSQOA-LBPRGKRZSA-N -1 1 298.375 2.665 20 0 CFADMM c1cc(-c2nc(-c3ccccc3)no2)sc1-c1nnn[n-]1 ZINC000823772341 606620823 /nfs/dbraw/zinc/62/08/23/606620823.db2.gz JXOSDCSXEIKHGL-UHFFFAOYSA-N -1 1 296.315 2.645 20 0 CFADMM c1cc(-c2nc(-c3ccccc3)no2)sc1-c1nn[n-]n1 ZINC000823772341 606620825 /nfs/dbraw/zinc/62/08/25/606620825.db2.gz JXOSDCSXEIKHGL-UHFFFAOYSA-N -1 1 296.315 2.645 20 0 CFADMM CC[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000820989492 606727143 /nfs/dbraw/zinc/72/71/43/606727143.db2.gz ULZPXFLMRVYEDI-LLVKDONJSA-N -1 1 294.362 2.651 20 0 CFADMM CC[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000820989492 606727145 /nfs/dbraw/zinc/72/71/45/606727145.db2.gz ULZPXFLMRVYEDI-LLVKDONJSA-N -1 1 294.362 2.651 20 0 CFADMM CC[C@@H]1CCC[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820979135 606807508 /nfs/dbraw/zinc/80/75/08/606807508.db2.gz FOTLLJFNQGDBFV-SCZZXKLOSA-N -1 1 292.774 2.906 20 0 CFADMM CC[C@@H]1CCC[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820979135 606807509 /nfs/dbraw/zinc/80/75/09/606807509.db2.gz FOTLLJFNQGDBFV-SCZZXKLOSA-N -1 1 292.774 2.906 20 0 CFADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1F ZINC000822211518 607128215 /nfs/dbraw/zinc/12/82/15/607128215.db2.gz CDMXAAYNXSJITC-UHFFFAOYSA-N -1 1 271.255 2.502 20 0 CFADMM Cc1cc(C)c(C)c(Oc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826263138 607895615 /nfs/dbraw/zinc/89/56/15/607895615.db2.gz MQGUYMUBFBRVHZ-UHFFFAOYSA-N -1 1 281.319 2.979 20 0 CFADMM Cc1cc(C)c(C)c(Oc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826263138 607895616 /nfs/dbraw/zinc/89/56/16/607895616.db2.gz MQGUYMUBFBRVHZ-UHFFFAOYSA-N -1 1 281.319 2.979 20 0 CFADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)c2ccccc21 ZINC000825000408 607896453 /nfs/dbraw/zinc/89/64/53/607896453.db2.gz PUMMOZHCSSROBA-JTQLQIEISA-N -1 1 278.319 2.517 20 0 CFADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)c2ccccc21 ZINC000825000408 607896454 /nfs/dbraw/zinc/89/64/54/607896454.db2.gz PUMMOZHCSSROBA-JTQLQIEISA-N -1 1 278.319 2.517 20 0 CFADMM CCCN(CCC)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825313460 608173774 /nfs/dbraw/zinc/17/37/74/608173774.db2.gz GFHWEFUPBZDCTO-UHFFFAOYSA-N -1 1 286.792 2.603 20 0 CFADMM CCCN(CCC)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825313460 608173776 /nfs/dbraw/zinc/17/37/76/608173776.db2.gz GFHWEFUPBZDCTO-UHFFFAOYSA-N -1 1 286.792 2.603 20 0 CFADMM C[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C(C)(C)C1 ZINC000824999946 608187558 /nfs/dbraw/zinc/18/75/58/608187558.db2.gz KVUMXPIFMDZUJA-ZCFIWIBFSA-N -1 1 298.803 2.601 20 0 CFADMM C[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C(C)(C)C1 ZINC000824999946 608187559 /nfs/dbraw/zinc/18/75/59/608187559.db2.gz KVUMXPIFMDZUJA-ZCFIWIBFSA-N -1 1 298.803 2.601 20 0 CFADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H]1CCc2ccccc21 ZINC000826280988 608543857 /nfs/dbraw/zinc/54/38/57/608543857.db2.gz YZKOTUNHWLSSHR-CYBMUJFWSA-N -1 1 292.346 2.670 20 0 CFADMM CCCOc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000825342650 608569969 /nfs/dbraw/zinc/56/99/69/608569969.db2.gz VVMPFDPHDMAYEJ-UHFFFAOYSA-N -1 1 299.334 2.861 20 0 CFADMM CCCOc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000825342650 608569970 /nfs/dbraw/zinc/56/99/70/608569970.db2.gz VVMPFDPHDMAYEJ-UHFFFAOYSA-N -1 1 299.334 2.861 20 0 CFADMM CCc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1C ZINC000825717988 608759428 /nfs/dbraw/zinc/75/94/28/608759428.db2.gz SMSZKLDNWVQXFQ-UHFFFAOYSA-N -1 1 283.335 2.943 20 0 CFADMM CCc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1C ZINC000825717988 608759432 /nfs/dbraw/zinc/75/94/32/608759432.db2.gz SMSZKLDNWVQXFQ-UHFFFAOYSA-N -1 1 283.335 2.943 20 0 CFADMM CC(C)CCCSc1cccc(-c2nnn[n-]2)n1 ZINC000824245399 609171579 /nfs/dbraw/zinc/17/15/79/609171579.db2.gz ZCMVPJKLRPBSNJ-UHFFFAOYSA-N -1 1 263.370 2.790 20 0 CFADMM CC(C)CCCSc1cccc(-c2nn[n-]n2)n1 ZINC000824245399 609171581 /nfs/dbraw/zinc/17/15/81/609171581.db2.gz ZCMVPJKLRPBSNJ-UHFFFAOYSA-N -1 1 263.370 2.790 20 0 CFADMM C[C@@H]1CC[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)[C@@H](C)C1 ZINC000900700068 620703198 /nfs/dbraw/zinc/70/31/98/620703198.db2.gz UHXVTRUDVSONAJ-NRUUGDAUSA-N -1 1 289.379 2.614 20 0 CFADMM C[C@@H]1C[C@@H](C)N(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000900795824 620715439 /nfs/dbraw/zinc/71/54/39/620715439.db2.gz HSOADXWSZRKSDT-NXEZZACHSA-N -1 1 288.322 2.950 20 0 CFADMM Cc1cccc(C)c1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900880232 620724670 /nfs/dbraw/zinc/72/46/70/620724670.db2.gz CRKJPVGOLOIISC-UHFFFAOYSA-N -1 1 283.331 2.929 20 0 CFADMM CC[C@@H](CNc1ccnc2cc(F)c(OC)cc21)C(=O)[O-] ZINC000900976242 620735639 /nfs/dbraw/zinc/73/56/39/620735639.db2.gz JZMXFOMJXIJVMO-VIFPVBQESA-N -1 1 292.310 2.905 20 0 CFADMM C[C@@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccccc1 ZINC000891618597 617687730 /nfs/dbraw/zinc/68/77/30/617687730.db2.gz RHUQFJBCMHSSCQ-LLVKDONJSA-N -1 1 297.358 2.803 20 0 CFADMM CCC(C)=C(C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891619163 617688048 /nfs/dbraw/zinc/68/80/48/617688048.db2.gz WFGMIMIWNQVUIO-KTKRTIGZSA-N -1 1 275.352 2.746 20 0 CFADMM CC[C@@H]1CCC[N@@H+]1Cc1ncc(Br)cc1[O-] ZINC000891778764 617748182 /nfs/dbraw/zinc/74/81/82/617748182.db2.gz BTLWNJFHTVKGFD-SNVBAGLBSA-N -1 1 285.185 2.924 20 0 CFADMM COCc1nc(N2CCC[C@H]2c2ccsc2)cc(=O)[n-]1 ZINC000891841621 617781381 /nfs/dbraw/zinc/78/13/81/617781381.db2.gz DJQKQMLBFFNIME-NSHDSACASA-N -1 1 291.376 2.732 20 0 CFADMM CC(C)(C)C(=O)N[N-]C(=O)c1cc2c(cccc2F)s1 ZINC000080085236 617788227 /nfs/dbraw/zinc/78/82/27/617788227.db2.gz KFRDEOVCXDIPKG-UHFFFAOYSA-N -1 1 294.351 2.848 20 0 CFADMM COCc1nc(N[C@@H](C)c2cccc(OC)c2)cc(=O)[n-]1 ZINC000891917662 617826249 /nfs/dbraw/zinc/82/62/49/617826249.db2.gz KGABEZLMXXCBLI-JTQLQIEISA-N -1 1 289.335 2.510 20 0 CFADMM O=C([N-]c1csc(-c2ccccc2)n1)c1cccc[n+]1[O-] ZINC000804822200 617900835 /nfs/dbraw/zinc/90/08/35/617900835.db2.gz HKDOGSIPXCNNRL-UHFFFAOYSA-N -1 1 297.339 2.696 20 0 CFADMM O=[N+]([O-])c1cc(Cl)cc(CNCc2ccco2)c1[O-] ZINC000238121492 617962484 /nfs/dbraw/zinc/96/24/84/617962484.db2.gz SHCTYMIOCJVGJV-UHFFFAOYSA-N -1 1 282.683 2.837 20 0 CFADMM COc1cnc([C@@H]2CCC[N@@H+]2CCC=C(C)C)[nH]c1=O ZINC000934268917 617981198 /nfs/dbraw/zinc/98/11/98/617981198.db2.gz CAMKJGWSSWDVTC-LBPRGKRZSA-N -1 1 277.368 2.684 20 0 CFADMM CCc1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2)s1 ZINC000121770718 617985931 /nfs/dbraw/zinc/98/59/31/617985931.db2.gz WKDNERMIZVDVAM-NSHDSACASA-N -1 1 299.355 2.667 20 0 CFADMM CC[C@H](CC(=O)NCCc1n[n-]c(=S)n1CC)C(C)C ZINC000067076086 618009068 /nfs/dbraw/zinc/00/90/68/618009068.db2.gz AOXOTSQRRJNGFZ-LLVKDONJSA-N -1 1 298.456 2.692 20 0 CFADMM O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccs2)C1 ZINC000113388221 618060798 /nfs/dbraw/zinc/06/07/98/618060798.db2.gz QJCDMAHIWMQQFE-SNVBAGLBSA-N -1 1 279.283 2.587 20 0 CFADMM COc1cccc([O-])c1C(=O)Nc1scnc1C1CC1 ZINC000901262253 620777898 /nfs/dbraw/zinc/77/78/98/620777898.db2.gz WCSRKPCEGKLQTJ-UHFFFAOYSA-N -1 1 290.344 2.987 20 0 CFADMM O=C(N[C@H]1CC12CCCCC2)c1cnc(C2CC2)[n-]c1=O ZINC000901307653 620781686 /nfs/dbraw/zinc/78/16/86/620781686.db2.gz WXPYXGOUTRFLFE-LBPRGKRZSA-N -1 1 287.363 2.512 20 0 CFADMM C[C@@H](CCO)SCc1cc(=O)oc2cc([O-])ccc12 ZINC000091264278 618177167 /nfs/dbraw/zinc/17/71/67/618177167.db2.gz KDGJEXNWOWJVTO-VIFPVBQESA-N -1 1 280.345 2.503 20 0 CFADMM Cc1ccccc1CN(C)Cc1cccc(C(=O)[O-])n1 ZINC000234305095 618180238 /nfs/dbraw/zinc/18/02/38/618180238.db2.gz OGOQRLGMUFDYMW-UHFFFAOYSA-N -1 1 270.332 2.720 20 0 CFADMM Cc1cccc(CN(C)Cc2cccc(C(=O)[O-])n2)c1 ZINC000234311477 618198528 /nfs/dbraw/zinc/19/85/28/618198528.db2.gz DONRTCCUNONXKF-UHFFFAOYSA-N -1 1 270.332 2.720 20 0 CFADMM CCCC(=CC(=O)Nc1c(C)[n-][nH]c1=O)CCC ZINC000854635708 618259788 /nfs/dbraw/zinc/25/97/88/618259788.db2.gz VNHNCMIATBHRHC-UHFFFAOYSA-N -1 1 251.330 2.889 20 0 CFADMM CCc1nc([C@@H](C)Nc2cc(=O)[n-]c(COC)n2)cs1 ZINC000892469789 618314149 /nfs/dbraw/zinc/31/41/49/618314149.db2.gz GAHPEPSVFPQUER-MRVPVSSYSA-N -1 1 294.380 2.521 20 0 CFADMM C/C(=C\C(=O)Nc1nc(Br)ccc1[O-])C1CC1 ZINC000189980380 618355790 /nfs/dbraw/zinc/35/57/90/618355790.db2.gz ACNDRJYRDMNJMI-VOTSOKGWSA-N -1 1 297.152 2.845 20 0 CFADMM O=C(CCOc1ccc(Cl)cc1)[N-]O[C@@H]1CCCCO1 ZINC000162269205 618455420 /nfs/dbraw/zinc/45/54/20/618455420.db2.gz KOVANOONWXPTLM-CQSZACIVSA-N -1 1 299.754 2.683 20 0 CFADMM CC[C@H](C)CO[N-]C(=O)[C@H](C)COc1ccccc1 ZINC000794849590 618461346 /nfs/dbraw/zinc/46/13/46/618461346.db2.gz BHGVTTMFNLJQCN-QWHCGFSZSA-N -1 1 265.353 2.795 20 0 CFADMM CSc1ccc(CN2CCC(CC(=O)[O-])CC2)o1 ZINC000901419110 620812852 /nfs/dbraw/zinc/81/28/52/620812852.db2.gz WSENCODJXWBFCS-UHFFFAOYSA-N -1 1 269.366 2.688 20 0 CFADMM CC(C)(C)c1nc[nH]c1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000909517624 618540676 /nfs/dbraw/zinc/54/06/76/618540676.db2.gz KJWKTWLCEJYFHA-UHFFFAOYSA-N -1 1 293.348 2.719 20 0 CFADMM C[C@@H](CC(F)(F)F)NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000901450708 620816821 /nfs/dbraw/zinc/81/68/21/620816821.db2.gz OJOHWZQJFDPVAK-ZJELKQJVSA-N -1 1 277.242 2.808 20 0 CFADMM CC[C@@H]1c2ccccc2CCN1Cc1cc(C(=O)[O-])no1 ZINC000901431474 620818511 /nfs/dbraw/zinc/81/85/11/620818511.db2.gz NZNNKKKUXNUBBV-OAHLLOKOSA-N -1 1 286.331 2.882 20 0 CFADMM C[C@@]1(NCc2cc(C(=O)[O-])no2)CCCc2ccccc21 ZINC000901437409 620820232 /nfs/dbraw/zinc/82/02/32/620820232.db2.gz GGMLCZJVSHAAOE-MRXNPFEDSA-N -1 1 286.331 2.714 20 0 CFADMM CC(C)c1csc(NC([O-])=NO[C@@H]2CCCCO2)n1 ZINC000185319016 618924758 /nfs/dbraw/zinc/92/47/58/618924758.db2.gz NDNQHARWQBRXGA-SNVBAGLBSA-N -1 1 285.369 2.846 20 0 CFADMM CC(C)c1csc(NC(=O)[N-]O[C@@H]2CCCCO2)n1 ZINC000185319016 618924760 /nfs/dbraw/zinc/92/47/60/618924760.db2.gz NDNQHARWQBRXGA-SNVBAGLBSA-N -1 1 285.369 2.846 20 0 CFADMM O=C([O-])c1ccc(CN2CCCC2)cc1Br ZINC000258101234 619037801 /nfs/dbraw/zinc/03/78/01/619037801.db2.gz KPHQKMNCRQETQE-UHFFFAOYSA-N -1 1 284.153 2.743 20 0 CFADMM C[C@]1(CNC(=O)Cc2ccc([O-])c(Cl)c2)CCCCO1 ZINC000832445589 625345187 /nfs/dbraw/zinc/34/51/87/625345187.db2.gz YMPXLQXEWIXZOJ-OAHLLOKOSA-N -1 1 297.782 2.664 20 0 CFADMM C[C@@H](CCOCc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000307737964 619495252 /nfs/dbraw/zinc/49/52/52/619495252.db2.gz VSSYUMNMKPLYNB-JTQLQIEISA-N -1 1 275.270 2.660 20 0 CFADMM COC(=O)CCCCCNC(=O)c1c([O-])cccc1Cl ZINC000049087776 619521449 /nfs/dbraw/zinc/52/14/49/619521449.db2.gz BCGPVOIBBOKKSS-UHFFFAOYSA-N -1 1 299.754 2.509 20 0 CFADMM CN(Cc1cscn1)C(=O)c1c([O-])cccc1Cl ZINC000049095009 619526116 /nfs/dbraw/zinc/52/61/16/619526116.db2.gz LVDZZODRQPWEJA-UHFFFAOYSA-N -1 1 282.752 2.774 20 0 CFADMM COCCc1nsc([N-]c2cnn(C3CCCC3)c2)n1 ZINC000895888372 619628132 /nfs/dbraw/zinc/62/81/32/619628132.db2.gz ZLCXHVRFNJZNIZ-UHFFFAOYSA-N -1 1 293.396 2.782 20 0 CFADMM CO[C@@](C)([C@@H](C)NC(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000840510941 619655316 /nfs/dbraw/zinc/65/53/16/619655316.db2.gz QVVAMRHHUVFPHX-PSLIRLAXSA-N -1 1 297.782 2.979 20 0 CFADMM O=c1nc(NCC[C@@H]2CCC3(CCC3)O2)cc(Cl)[n-]1 ZINC000896553538 619761130 /nfs/dbraw/zinc/76/11/30/619761130.db2.gz PMTKEIFGMJTKFO-VIFPVBQESA-N -1 1 283.759 2.739 20 0 CFADMM CSC1(c2noc(-c3cc4c(cc3[O-])OCO4)n2)CC1 ZINC000896780687 619812469 /nfs/dbraw/zinc/81/24/69/619812469.db2.gz ASHWQZKJLAPXCF-UHFFFAOYSA-N -1 1 292.316 2.523 20 0 CFADMM COc1ccc(-c2nc(C3(SC)CC3)no2)c([O-])c1 ZINC000896781174 619813243 /nfs/dbraw/zinc/81/32/43/619813243.db2.gz LOHVMPPGDOFYSQ-UHFFFAOYSA-N -1 1 278.333 2.803 20 0 CFADMM C[C@]12CN(c3cc(Cl)[n-]c(=O)n3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000896901013 619872518 /nfs/dbraw/zinc/87/25/18/619872518.db2.gz PBRMAYHXGUOQAM-AEISUSGSSA-N -1 1 279.771 2.708 20 0 CFADMM CCc1nocc1C(=O)[N-]c1c(C)noc1C(C)C ZINC000928782022 620009034 /nfs/dbraw/zinc/00/90/34/620009034.db2.gz HKQMWRGRNOIBGR-UHFFFAOYSA-N -1 1 263.297 2.909 20 0 CFADMM CC[C@@H]1c2ccccc2CN1c1cc(=O)[n-]c(COC)n1 ZINC000897355277 620020310 /nfs/dbraw/zinc/02/03/10/620020310.db2.gz LORNMXORFVWDHU-CYBMUJFWSA-N -1 1 285.347 2.800 20 0 CFADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(F)c(F)c(F)c1 ZINC000263521042 620153648 /nfs/dbraw/zinc/15/36/48/620153648.db2.gz RADSWAOHLNEKTG-PSASIEDQSA-N -1 1 287.281 2.789 20 0 CFADMM Cc1nn(-c2ccccc2)c(C)c1C=C1SC(=O)[N-]C1=O ZINC000008275484 620178557 /nfs/dbraw/zinc/17/85/57/620178557.db2.gz MUXGPKDYQCOGQU-JYRVWZFOSA-N -1 1 299.355 2.813 20 0 CFADMM Cc1nc(CC(F)(F)F)sc1CC(=O)[N-]OC(C)C ZINC000897889148 620298992 /nfs/dbraw/zinc/29/89/92/620298992.db2.gz MVRPVZSIWBFYHE-UHFFFAOYSA-N -1 1 296.314 2.555 20 0 CFADMM Cc1cccc(CO[N-]C(=O)C2(Cc3ccccc3)CC2)n1 ZINC000898933863 620507832 /nfs/dbraw/zinc/50/78/32/620507832.db2.gz HCNXPZKALUWHEH-UHFFFAOYSA-N -1 1 296.370 2.961 20 0 CFADMM O=C(NOCC1CCC1)c1ccc2ccc(O)cc2c1[O-] ZINC000898987133 620513064 /nfs/dbraw/zinc/51/30/64/620513064.db2.gz KAWLXKQJSSNKIG-UHFFFAOYSA-N -1 1 287.315 2.713 20 0 CFADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1OC2CCC1CC2 ZINC000899189093 620530376 /nfs/dbraw/zinc/53/03/76/620530376.db2.gz WXNRKBYVKZGUDP-UHFFFAOYSA-N -1 1 299.326 2.950 20 0 CFADMM CSc1nc(Cl)cc(-n2[n-]c(C)c(C(C)C)c2=O)n1 ZINC000899353350 620548566 /nfs/dbraw/zinc/54/85/66/620548566.db2.gz XGEJYMOAACWBQJ-JTQLQIEISA-N -1 1 298.799 2.847 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3c(F)cc(F)cc3F)c(=O)c21 ZINC000899363157 620550864 /nfs/dbraw/zinc/55/08/64/620550864.db2.gz FUHJNEPDPSRGJQ-KSBSHMNSSA-N -1 1 268.238 2.853 20 0 CFADMM CC(C)[C@H]1CCc2[n-]n([C@@H]3CCCC[C@H]3O)c(=O)c2C1 ZINC000899365273 620551464 /nfs/dbraw/zinc/55/14/64/620551464.db2.gz UTRUXJNJACGULH-CTHBEMJXSA-N -1 1 278.396 2.560 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3ccc(F)c(F)c3)c(=O)c21 ZINC000899360741 620552310 /nfs/dbraw/zinc/55/23/10/620552310.db2.gz OVYBBQNTXNOHFO-JMCQJSRRSA-N -1 1 250.248 2.714 20 0 CFADMM CCc1c(C(C)C)[n-]n([C@@H]2C[C@@H](C)O[C@@H](C)C2)c1=O ZINC000899360321 620552445 /nfs/dbraw/zinc/55/24/45/620552445.db2.gz LHTVKIRCGQJJGG-RNJOBUHISA-N -1 1 266.385 2.823 20 0 CFADMM C[C@@H]1C[C@@H](n2[n-]c3c(c2=O)CCC(C)(C)C3)C[C@H](C)O1 ZINC000899361540 620552900 /nfs/dbraw/zinc/55/29/00/620552900.db2.gz WRJOYBJBYJAZCN-YVECIDJPSA-N -1 1 278.396 2.967 20 0 CFADMM O=C(NC[C@@H]1CCC2(CCC2)CO1)c1ccc([O-])c(F)c1 ZINC000899466134 620572857 /nfs/dbraw/zinc/57/28/57/620572857.db2.gz IDGYBVZTBYZHLE-LBPRGKRZSA-N -1 1 293.338 2.610 20 0 CFADMM C[C@@H]1CCC[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)[C@@H]1C ZINC000899935505 620615755 /nfs/dbraw/zinc/61/57/55/620615755.db2.gz NVVASWBFBUZJRF-GIPNMCIBSA-N -1 1 289.379 2.614 20 0 CFADMM Cc1cc(F)ncc1CN[C@H](CC(=O)[O-])c1ccsc1 ZINC000900022922 620624438 /nfs/dbraw/zinc/62/44/38/620624438.db2.gz RBKLHZAGDNKQDH-GFCCVEGCSA-N -1 1 294.351 2.896 20 0 CFADMM O=C([O-])c1ccc(CNCc2ccnn2C2CCC2)cc1 ZINC000900022811 620624638 /nfs/dbraw/zinc/62/46/38/620624638.db2.gz NDZODSXYMXBTGU-UHFFFAOYSA-N -1 1 285.347 2.596 20 0 CFADMM CCc1onc(C)c1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000900033061 620626099 /nfs/dbraw/zinc/62/60/99/620626099.db2.gz LNOIJFCTJHHKOB-NSHDSACASA-N -1 1 294.376 2.913 20 0 CFADMM C[C@H](C1CC1)N(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900073534 620631871 /nfs/dbraw/zinc/63/18/71/620631871.db2.gz MSLDZGWWRKUVSN-SECBINFHSA-N -1 1 288.322 2.950 20 0 CFADMM Cc1ccc(CNCc2nc(C(=O)[O-])c(C)s2)s1 ZINC000900064020 620633691 /nfs/dbraw/zinc/63/36/91/620633691.db2.gz GNTFTDIIFVWNGZ-UHFFFAOYSA-N -1 1 282.390 2.809 20 0 CFADMM COc1ccc(C)cc1CNCc1ccc(CC(=O)[O-])cc1 ZINC000901538463 620850223 /nfs/dbraw/zinc/85/02/23/620850223.db2.gz BYXCIFHGPXUWMC-UHFFFAOYSA-N -1 1 299.370 2.921 20 0 CFADMM CC(C)(C)c1cnc(C=C2SC(=O)[N-]C2=O)s1 ZINC000901555637 620856004 /nfs/dbraw/zinc/85/60/04/620856004.db2.gz WZKRMMVERQRCSV-GQCTYLIASA-N -1 1 268.363 2.765 20 0 CFADMM O=c1cc(-c2ccccc2)nc(SCCC2(O)CC2)[n-]1 ZINC000901620023 620870399 /nfs/dbraw/zinc/87/03/99/620870399.db2.gz XKXYRKZZYXTUDI-UHFFFAOYSA-N -1 1 288.372 2.856 20 0 CFADMM C[C@@H](O)[C@H](C)Sc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901617401 620874053 /nfs/dbraw/zinc/87/40/53/620874053.db2.gz WNLUEFCLJVGCAX-ZJUUUORDSA-N -1 1 276.361 2.711 20 0 CFADMM CSC1(CN2Cc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000901645928 620880077 /nfs/dbraw/zinc/88/00/77/620880077.db2.gz IKOZRPQATCSXKS-UHFFFAOYSA-N -1 1 263.362 2.596 20 0 CFADMM Cc1cnccc1CN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000901745076 620907716 /nfs/dbraw/zinc/90/77/16/620907716.db2.gz QEHXXZYBJITWQB-UHFFFAOYSA-N -1 1 282.343 2.647 20 0 CFADMM CCc1ccc(CN[C@H](C(=O)[O-])[C@@H]2CCC[C@H](OC)C2)o1 ZINC000901763637 620915705 /nfs/dbraw/zinc/91/57/05/620915705.db2.gz PHUYKUFTLRIGLF-ZLDLUXBVSA-N -1 1 295.379 2.590 20 0 CFADMM CC(C)c1ccc(CCN2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cc1 ZINC000901911879 620938879 /nfs/dbraw/zinc/93/88/79/620938879.db2.gz OJUKXRXIFGTEJV-CZUORRHYSA-N -1 1 291.391 2.526 20 0 CFADMM COC[C@H](CC(C)C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901913077 620938953 /nfs/dbraw/zinc/93/89/53/620938953.db2.gz VRWGGYLLRRDLBX-UWVGGRQHSA-N -1 1 286.397 2.553 20 0 CFADMM CC(C)c1cnc(CN2CCC[C@@H]2CC(=O)[O-])s1 ZINC000902011617 620957438 /nfs/dbraw/zinc/95/74/38/620957438.db2.gz LPRSLEDRLGZXQA-SNVBAGLBSA-N -1 1 268.382 2.706 20 0 CFADMM C[C@@H]1CCN(Cc2scnc2C2CC2)[C@@H](C(=O)[O-])C1 ZINC000902013100 620957948 /nfs/dbraw/zinc/95/79/48/620957948.db2.gz UCHXMUNWRUPVEV-MWLCHTKSSA-N -1 1 280.393 2.706 20 0 CFADMM CCc1ccc(CN2CC[C@@H](C)C[C@@H]2C(=O)[O-])o1 ZINC000902016139 620959161 /nfs/dbraw/zinc/95/91/61/620959161.db2.gz KQJDPQJOCKLKCG-ZWNOBZJWSA-N -1 1 251.326 2.527 20 0 CFADMM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1Cc1cncs1 ZINC000902047523 620963688 /nfs/dbraw/zinc/96/36/88/620963688.db2.gz SQZCIGCEEUNFSQ-TZMCWYRMSA-N -1 1 294.420 2.999 20 0 CFADMM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1ccns1 ZINC000902048579 620963853 /nfs/dbraw/zinc/96/38/53/620963853.db2.gz XQQAHCLFOKDCFM-OCCSQVGLSA-N -1 1 294.420 2.999 20 0 CFADMM CC[C@H](NCc1cc(C(=O)[O-])no1)c1ccc(OC)cc1 ZINC000902072875 620968118 /nfs/dbraw/zinc/96/81/18/620968118.db2.gz JEOFWBBQLKLXQV-ZDUSSCGKSA-N -1 1 290.319 2.622 20 0 CFADMM Cc1cc(CN[C@@H](C)CCCC(C)(C)C(=O)[O-])no1 ZINC000902123408 620983328 /nfs/dbraw/zinc/98/33/28/620983328.db2.gz JWVZLEOGPZNVKJ-JTQLQIEISA-N -1 1 268.357 2.742 20 0 CFADMM COc1cc(CNCc2ccoc2C(=O)[O-])ccc1C ZINC000902168792 620992646 /nfs/dbraw/zinc/99/26/46/620992646.db2.gz NMOTVVLERXMAQN-UHFFFAOYSA-N -1 1 275.304 2.585 20 0 CFADMM Cc1noc([C@H](C)N[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)n1 ZINC000902200762 620997163 /nfs/dbraw/zinc/99/71/63/620997163.db2.gz PLQLJSVAAXDPMK-DRZSPHRISA-N -1 1 295.383 2.842 20 0 CFADMM O=C([O-])c1coc(CN2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000902223843 621001070 /nfs/dbraw/zinc/00/10/70/621001070.db2.gz FQOGFCUAIHHWIQ-KRWDZBQOSA-N -1 1 299.326 2.609 20 0 CFADMM CCc1cc(NCc2c(F)ccc(O)c2F)nc(C)[nH+]1 ZINC000902229868 621002592 /nfs/dbraw/zinc/00/25/92/621002592.db2.gz YZYCBOIPBXQKGQ-UHFFFAOYSA-N -1 1 279.290 2.943 20 0 CFADMM O=C([O-])c1coc(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000902235660 621003707 /nfs/dbraw/zinc/00/37/07/621003707.db2.gz MGKPJMMQLCIRKS-CQSZACIVSA-N -1 1 275.279 2.894 20 0 CFADMM Cc1oc(CNCc2nc3ccc(C)cc3[nH]2)cc1C(=O)[O-] ZINC000902259056 621007944 /nfs/dbraw/zinc/00/79/44/621007944.db2.gz CFZJRZAUESLDBA-UHFFFAOYSA-N -1 1 299.330 2.761 20 0 CFADMM Cc1ccc(F)c(CN2C[C@H](C(=O)[O-])CC[C@H]2C)c1F ZINC000903408654 621363996 /nfs/dbraw/zinc/36/39/96/621363996.db2.gz SJPMAMDGSOYUMA-GHMZBOCLSA-N -1 1 283.318 2.958 20 0 CFADMM Cc1ccc(F)c(CN2CCC[C@@H](C(=O)[O-])C2)c1F ZINC000903402561 621369012 /nfs/dbraw/zinc/36/90/12/621369012.db2.gz TWKFGITWPDLMIY-SNVBAGLBSA-N -1 1 269.291 2.570 20 0 CFADMM CC[C@@H](C)[C@H](C(=O)[O-])N1Cc2cc(F)c(F)cc2C1 ZINC000903608882 621402711 /nfs/dbraw/zinc/40/27/11/621402711.db2.gz OSUZDLCYWZLCPF-AMIZOPFISA-N -1 1 269.291 2.780 20 0 CFADMM O=S(=O)(CC1(F)CC1)[N-]c1cccc(F)c1Cl ZINC000903629938 621411545 /nfs/dbraw/zinc/41/15/45/621411545.db2.gz DROWDGFIBKQCON-UHFFFAOYSA-N -1 1 281.711 2.723 20 0 CFADMM CCCCc1noc([C@H](C)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)n1 ZINC000903631310 621411684 /nfs/dbraw/zinc/41/16/84/621411684.db2.gz PSUVWMCGWMHGAM-GRYCIOLGSA-N -1 1 295.383 2.516 20 0 CFADMM CCO[C@H]1[C@H](c2nc(-c3ccc([O-])cc3F)no2)[C@@H]1C ZINC000903670331 621413839 /nfs/dbraw/zinc/41/38/39/621413839.db2.gz YTBIYVNCAOPULD-UPZJHPNMSA-N -1 1 278.283 2.720 20 0 CFADMM CCN(Cc1occ(C(F)(F)F)c1C(=O)[O-])C1CC1 ZINC000903887906 621460227 /nfs/dbraw/zinc/46/02/27/621460227.db2.gz ITOJXTLCKSJRBV-UHFFFAOYSA-N -1 1 277.242 2.981 20 0 CFADMM O=C([O-])c1cncc(CN2CCCc3ccccc3C2)c1 ZINC000903888967 621460388 /nfs/dbraw/zinc/46/03/88/621460388.db2.gz AIVWWJQURJHJLP-UHFFFAOYSA-N -1 1 282.343 2.728 20 0 CFADMM O=C([O-])[C@@H]1C[C@H]1CN(Cc1ccco1)Cc1ccco1 ZINC000903886140 621464578 /nfs/dbraw/zinc/46/45/78/621464578.db2.gz YETNZWSMGMMNGL-SMDDNHRTSA-N -1 1 275.304 2.596 20 0 CFADMM CC(C)CC[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903921086 621473747 /nfs/dbraw/zinc/47/37/47/621473747.db2.gz GIIHXDCYYIZQPB-UHFFFAOYSA-N -1 1 263.337 2.625 20 0 CFADMM CO[C@@H]1CC[C@@H]1N(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000903946706 621484229 /nfs/dbraw/zinc/48/42/29/621484229.db2.gz LMNGGCMHPHSCRA-QWHCGFSZSA-N -1 1 283.755 2.647 20 0 CFADMM O=C([O-])c1csc(CN2CCCSC[C@H]2C2CC2)n1 ZINC000903947278 621485028 /nfs/dbraw/zinc/48/50/28/621485028.db2.gz WPGKSKFZCVUBIG-NSHDSACASA-N -1 1 298.433 2.559 20 0 CFADMM Cc1cc(C)c(/C=C\CNC[C@@H](F)C(=O)[O-])cc1C ZINC000904019709 621503392 /nfs/dbraw/zinc/50/33/92/621503392.db2.gz YPIKKFRINYKFLH-ZRUQZJFASA-N -1 1 265.328 2.637 20 0 CFADMM Cc1coc(CN[C@@H](C(=O)[O-])[C@@H](C)c2ccccc2)c1 ZINC000904022524 621504014 /nfs/dbraw/zinc/50/40/14/621504014.db2.gz BTCBRVJEUJDANG-SWLSCSKDSA-N -1 1 273.332 2.935 20 0 CFADMM Cc1n[nH]cc1CN[C@@H](CC(=O)[O-])c1ccccc1Cl ZINC000904033062 621508359 /nfs/dbraw/zinc/50/83/59/621508359.db2.gz PRMQIPLCHGFALA-ZDUSSCGKSA-N -1 1 293.754 2.677 20 0 CFADMM COc1ccc(CNC[C@H](F)C(=O)[O-])cc1C(C)(C)C ZINC000904042405 621510837 /nfs/dbraw/zinc/51/08/37/621510837.db2.gz DILGIAQEAJUYSC-LBPRGKRZSA-N -1 1 283.343 2.505 20 0 CFADMM O=C([O-])N[C@H]1C[C@H](Nc2cc3c(cn2)CCC3)C12CCC2 ZINC000904242358 621558633 /nfs/dbraw/zinc/55/86/33/621558633.db2.gz KMEXRAVACJAIJC-STQMWFEESA-N -1 1 287.363 2.561 20 0 CFADMM O=S(=O)(CC[C@@H]1CCCC1(F)F)c1ccc([O-])cc1 ZINC000905239282 621732828 /nfs/dbraw/zinc/73/28/28/621732828.db2.gz CHMJRHPDEGROLV-JTQLQIEISA-N -1 1 290.331 2.991 20 0 CFADMM O=C([O-])c1ccc(CN[C@@H]2CCc3ccc(F)cc32)nc1 ZINC000905723720 621833739 /nfs/dbraw/zinc/83/37/39/621833739.db2.gz FORGUJKCXCCLNO-OAHLLOKOSA-N -1 1 286.306 2.696 20 0 CFADMM C[C@@H]1C[C@H](NCc2nc(C(C)(C)C)co2)CC[C@H]1C(=O)[O-] ZINC000905789308 621862174 /nfs/dbraw/zinc/86/21/74/621862174.db2.gz IRHYEOQSGWVYAC-IJLUTSLNSA-N -1 1 294.395 2.951 20 0 CFADMM CC1(C)CN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000907844935 622168288 /nfs/dbraw/zinc/16/82/88/622168288.db2.gz UMMOMQKTGRIJCG-UHFFFAOYSA-N -1 1 274.295 2.562 20 0 CFADMM CN(C(=O)c1cnc(C2CC2)[n-]c1=O)[C@H]1CCC(C)(C)C1 ZINC000907911783 622173152 /nfs/dbraw/zinc/17/31/52/622173152.db2.gz MDXPQILQLXHPKX-NSHDSACASA-N -1 1 289.379 2.710 20 0 CFADMM CC(C)(C)C(C)(C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908375583 622223010 /nfs/dbraw/zinc/22/30/10/622223010.db2.gz LERLLPCPRQDLLZ-UHFFFAOYSA-N -1 1 291.395 2.862 20 0 CFADMM CSCC(C)(C)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000908378931 622223364 /nfs/dbraw/zinc/22/33/64/622223364.db2.gz JTPQSUZIOFOGTR-UHFFFAOYSA-N -1 1 299.364 2.637 20 0 CFADMM Cc1nc(C2CCC2)sc1CC(=O)[N-]OCC1CC1 ZINC000908383545 622224417 /nfs/dbraw/zinc/22/44/17/622224417.db2.gz RRCRKPFMHKENIS-UHFFFAOYSA-N -1 1 280.393 2.719 20 0 CFADMM CCN(CC(C)=O)C(=O)c1cc2ccccc2cc1[O-] ZINC000908395479 622226678 /nfs/dbraw/zinc/22/66/78/622226678.db2.gz PIHLSJLIXQPJNO-UHFFFAOYSA-N -1 1 271.316 2.597 20 0 CFADMM CS[C@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908715218 622268309 /nfs/dbraw/zinc/26/83/09/622268309.db2.gz RKMILMPSHSNMPE-ZCFIWIBFSA-N -1 1 290.182 2.845 20 0 CFADMM Cc1nc(C2CCC2)sc1CC(=O)[N-]OC(C)C ZINC000908568906 622246675 /nfs/dbraw/zinc/24/66/75/622246675.db2.gz BHFXGVBBNLNUPE-UHFFFAOYSA-N -1 1 268.382 2.718 20 0 CFADMM CC(=O)CCCCCNC(=O)c1c(F)ccc([O-])c1F ZINC000909105004 622317408 /nfs/dbraw/zinc/31/74/08/622317408.db2.gz UCTYQEFZTZMGGT-UHFFFAOYSA-N -1 1 285.290 2.550 20 0 CFADMM O=C(OCCC1(O)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000909860206 622358622 /nfs/dbraw/zinc/35/86/22/622358622.db2.gz PHGBADQRJRJWJV-UHFFFAOYSA-N -1 1 291.130 2.771 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)c1cnn(CC2CC2)c1 ZINC000909973397 622378469 /nfs/dbraw/zinc/37/84/69/622378469.db2.gz YUBCTAKSVKPRLV-UHFFFAOYSA-N -1 1 293.273 2.529 20 0 CFADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909973348 622378534 /nfs/dbraw/zinc/37/85/34/622378534.db2.gz XIIWFTBWAYGLLM-RYPBNFRJSA-N -1 1 267.275 2.901 20 0 CFADMM CC(C)[C@H]1C[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985240 622379408 /nfs/dbraw/zinc/37/94/08/622379408.db2.gz HPKWFPXKYXAHDX-HTQZYQBOSA-N -1 1 255.264 2.901 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)C1CCSCC1 ZINC000909981060 622381110 /nfs/dbraw/zinc/38/11/10/622381110.db2.gz LOHZASUUYPAOGT-UHFFFAOYSA-N -1 1 273.304 2.752 20 0 CFADMM CCCCC[C@H](O)CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909980890 622381268 /nfs/dbraw/zinc/38/12/68/622381268.db2.gz HYASYYDOCFYCEO-VIFPVBQESA-N -1 1 287.306 2.940 20 0 CFADMM Cc1ccn([C@H](C)CC(=O)Nc2cc([O-])c(F)cc2F)n1 ZINC000909988296 622382376 /nfs/dbraw/zinc/38/23/76/622382376.db2.gz FBCNWQNOYLSQAJ-SECBINFHSA-N -1 1 295.289 2.765 20 0 CFADMM CCC(C)(C)C(=O)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988648 622382385 /nfs/dbraw/zinc/38/23/85/622382385.db2.gz UKIPQNSDSIJMJD-UHFFFAOYSA-N -1 1 271.263 2.614 20 0 CFADMM C[N@H+]1CCC[C@@H]1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000910359775 622435388 /nfs/dbraw/zinc/43/53/88/622435388.db2.gz JRADWBOGPKYWTG-OAHLLOKOSA-N -1 1 298.342 2.571 20 0 CFADMM CN1CCC[C@@H]1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000910359775 622435389 /nfs/dbraw/zinc/43/53/89/622435389.db2.gz JRADWBOGPKYWTG-OAHLLOKOSA-N -1 1 298.342 2.571 20 0 CFADMM CSCCCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910981545 622493945 /nfs/dbraw/zinc/49/39/45/622493945.db2.gz HTNQKCULTHTFBD-UHFFFAOYSA-N -1 1 261.293 2.752 20 0 CFADMM C[C@@H]1CC[C@@H](CCC(=O)Nc2cc(F)cc(F)c2[O-])O1 ZINC000910983956 622494308 /nfs/dbraw/zinc/49/43/08/622494308.db2.gz ZFMNUPJZORVVFF-SCZZXKLOSA-N -1 1 285.290 2.957 20 0 CFADMM CC[C@H]1C[C@H](C(=O)Nc2cc(F)cc(F)c2[O-])CCO1 ZINC000910984810 622495133 /nfs/dbraw/zinc/49/51/33/622495133.db2.gz YWGKEPKYRSLPQB-SCZZXKLOSA-N -1 1 285.290 2.814 20 0 CFADMM COC[C@H](C)[C@@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910986447 622495139 /nfs/dbraw/zinc/49/51/39/622495139.db2.gz HCRXDDROMHTLAL-JGVFFNPUSA-N -1 1 273.279 2.528 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CCN1C1CCCC1 ZINC000910986122 622495198 /nfs/dbraw/zinc/49/51/98/622495198.db2.gz IKLIIDKLJFYJBK-CYBMUJFWSA-N -1 1 296.317 2.626 20 0 CFADMM CSC[C@@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984700 622495440 /nfs/dbraw/zinc/49/54/40/622495440.db2.gz SHXSFHWOQKEJPS-ZCFIWIBFSA-N -1 1 261.293 2.608 20 0 CFADMM C[C@H]1CCC[C@H](C)N1NC(=O)c1c(F)ccc([O-])c1F ZINC000819644430 622542164 /nfs/dbraw/zinc/54/21/64/622542164.db2.gz HPWQHTTZGOHLKN-IUCAKERBSA-N -1 1 284.306 2.578 20 0 CFADMM O=C(c1c([O-])cnc2c(F)cccc21)N1CCC[C@H](F)C1 ZINC000911925143 622576911 /nfs/dbraw/zinc/57/69/11/622576911.db2.gz DYNSBNYWZRMQFT-VIFPVBQESA-N -1 1 292.285 2.654 20 0 CFADMM C[C@H]1CCCCN1[N-]C(=O)C(F)(F)Cc1ccccc1 ZINC000912145283 622646867 /nfs/dbraw/zinc/64/68/67/622646867.db2.gz LTPYWISZOPCAFF-LBPRGKRZSA-N -1 1 282.334 2.770 20 0 CFADMM Cc1cc(C)c(CC(=O)[N-]OCc2cccc(C)n2)s1 ZINC000912629981 622752784 /nfs/dbraw/zinc/75/27/84/622752784.db2.gz GOZYYMJLNHUDAT-UHFFFAOYSA-N -1 1 290.388 2.859 20 0 CFADMM COc1cccc(S([O-])=CC(=O)OCCC2(C)CC2)c1 ZINC000820865236 622776936 /nfs/dbraw/zinc/77/69/36/622776936.db2.gz PXJTXFYGFSJYEE-HXUWFJFHSA-N -1 1 296.388 2.536 20 0 CFADMM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000834298737 625594306 /nfs/dbraw/zinc/59/43/06/625594306.db2.gz YXZDUVCDYYMRTC-VXNVDRBHSA-N -1 1 284.743 2.583 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1C(F)(F)F ZINC000913020697 622827006 /nfs/dbraw/zinc/82/70/06/622827006.db2.gz XCSJFOGCCKXMJG-JTQLQIEISA-N -1 1 277.217 2.698 20 0 CFADMM C[C@@H](NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C1CC1 ZINC000821178910 622862051 /nfs/dbraw/zinc/86/20/51/622862051.db2.gz GHRCHLFKEIAHMB-SNVBAGLBSA-N -1 1 299.326 2.993 20 0 CFADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1(C2CC2)CC1 ZINC000913268720 622869331 /nfs/dbraw/zinc/86/93/31/622869331.db2.gz MXCMRPLORZKCHK-UHFFFAOYSA-N -1 1 283.331 2.707 20 0 CFADMM O=C(Nc1nc(Br)ccc1[O-])c1ccccc1 ZINC000156339999 622934073 /nfs/dbraw/zinc/93/40/73/622934073.db2.gz MGRSTDYRJOLWBJ-UHFFFAOYSA-N -1 1 293.120 2.802 20 0 CFADMM CCC[C@@H](C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000156363817 622937176 /nfs/dbraw/zinc/93/71/76/622937176.db2.gz JEZCSJYVUGDJNP-SSDOTTSWSA-N -1 1 287.157 2.924 20 0 CFADMM O=C(/C=C/c1cnn(CCCl)c1)c1ccc([O-])cc1 ZINC000057737053 623009393 /nfs/dbraw/zinc/00/93/93/623009393.db2.gz IDOVBSJABFSRCA-LZCJLJQNSA-N -1 1 276.723 2.724 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)[C@]12C[C@H]1COC21CCC1 ZINC000822542772 623123704 /nfs/dbraw/zinc/12/37/04/623123704.db2.gz HNDKUBKBRRSNEH-AYVTZFPOSA-N -1 1 295.285 2.568 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@]12CCO[C@@H]1CCCC2 ZINC000822977521 623213252 /nfs/dbraw/zinc/21/32/52/623213252.db2.gz SLJXFIGILPOPKZ-IUODEOHRSA-N -1 1 297.301 2.958 20 0 CFADMM C[C@H]1CCN[C@@H](c2nc(-c3ccc(O)cc3F)no2)C1 ZINC000823069826 623228008 /nfs/dbraw/zinc/22/80/08/623228008.db2.gz UZPXYLKCSYJCPG-QPUJVOFHSA-N -1 1 277.299 2.642 20 0 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272.295 2.507 20 0 CFADMM CC(C)(C)CCCNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000825997569 623779990 /nfs/dbraw/zinc/77/99/90/623779990.db2.gz HHZHRZGNMAMNCX-UHFFFAOYSA-N -1 1 292.408 2.574 20 0 CFADMM CC(F)(F)C[N-]S(=O)(=O)c1cscc1C(F)F ZINC000915893334 624186988 /nfs/dbraw/zinc/18/69/88/624186988.db2.gz VQAXAYGDWGKPJJ-UHFFFAOYSA-N -1 1 291.291 2.619 20 0 CFADMM CCc1ccc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)cc1 ZINC000153877634 624226783 /nfs/dbraw/zinc/22/67/83/624226783.db2.gz ZVQWZOXPKSCWSM-UHFFFAOYSA-N -1 1 294.376 2.863 20 0 CFADMM CCc1ccc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)cc1 ZINC000153877634 624226787 /nfs/dbraw/zinc/22/67/87/624226787.db2.gz ZVQWZOXPKSCWSM-UHFFFAOYSA-N -1 1 294.376 2.863 20 0 CFADMM CCCCOC(=O)[C@H](C)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000195084540 625704129 /nfs/dbraw/zinc/70/41/29/625704129.db2.gz DNEAUDYUZKNQFW-VIFPVBQESA-N -1 1 296.392 2.884 20 0 CFADMM Cc1[n-]n(-c2ccccc2Br)c(=O)c1F ZINC000917347396 624333789 /nfs/dbraw/zinc/33/37/89/624333789.db2.gz DIKKQWCRQXJWKO-VIFPVBQESA-N -1 1 271.089 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XFHKVEZBBKDWJR-WSKFYRRCSA-N -1 1 293.310 2.760 20 0 CFADMM C[C@H]([N-]S(=O)(=O)c1cscc1C(F)F)C(F)F ZINC000919814273 624620512 /nfs/dbraw/zinc/62/05/12/624620512.db2.gz VXCGKETUOXNEOH-BYPYZUCNSA-N -1 1 291.291 2.618 20 0 CFADMM O=C(CC1CC(F)(F)C1)Nc1nc(Cl)ccc1[O-] ZINC000830184675 624661396 /nfs/dbraw/zinc/66/13/96/624661396.db2.gz MGZXEYRTVGRNLP-UHFFFAOYSA-N -1 1 276.670 2.815 20 0 CFADMM CCc1ccc([C@@H]2C[C@@H](C)CCN2CC(=O)[O-])o1 ZINC000830237045 624682136 /nfs/dbraw/zinc/68/21/36/624682136.db2.gz GITNRFFIKYQAFR-JQWIXIFHSA-N -1 1 251.326 2.700 20 0 CFADMM CC(C)COCCCNC(=O)c1c([O-])cccc1Cl ZINC000920437857 624728630 /nfs/dbraw/zinc/72/86/30/624728630.db2.gz MUWJMLYRCHIKDA-UHFFFAOYSA-N -1 1 285.771 2.838 20 0 CFADMM CCOc1cccc(CNCc2cc(C(=O)[O-])c(C)o2)c1 ZINC000233790204 624956861 /nfs/dbraw/zinc/95/68/61/624956861.db2.gz IWFYTZDEEFGFCF-UHFFFAOYSA-N -1 1 289.331 2.975 20 0 CFADMM CC(C)n1c(CNC(=O)C2C(C)(C)C2(C)C)n[n-]c1=S ZINC000073497091 625158040 /nfs/dbraw/zinc/15/80/40/625158040.db2.gz QHXKFXQAQFBYNH-UHFFFAOYSA-N -1 1 296.440 2.820 20 0 CFADMM O=C(NC[C@H]1CCCC2(CCC2)O1)c1ccc([O-])cc1F ZINC000832320034 625278825 /nfs/dbraw/zinc/27/88/25/625278825.db2.gz CTZUMENIJBBLCW-GFCCVEGCSA-N -1 1 293.338 2.753 20 0 CFADMM C[C@@H]1C[C@@H](NC(=O)Cc2ccc([O-])c(Cl)c2)CCS1 ZINC000834627593 625743070 /nfs/dbraw/zinc/74/30/70/625743070.db2.gz UANVZENRBFFKCO-KOLCDFICSA-N -1 1 299.823 2.988 20 0 CFADMM Cc1cnc(C(=O)N2CCc3ccsc3[C@@H]2C)c([O-])c1 ZINC000921510570 625839208 /nfs/dbraw/zinc/83/92/08/625839208.db2.gz XESMLYWZZWLAKO-JTQLQIEISA-N -1 1 288.372 2.917 20 0 CFADMM CC(C)[C@@H](F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825004 625884350 /nfs/dbraw/zinc/88/43/50/625884350.db2.gz FTRBSXYMJJQYGR-LLVKDONJSA-N -1 1 259.708 2.656 20 0 CFADMM CC(C)(C(=O)NCc1ccc([O-])c(Cl)c1)C(F)F ZINC000834826517 625885392 /nfs/dbraw/zinc/88/53/92/625885392.db2.gz SBGPXNMKMSEHMS-UHFFFAOYSA-N -1 1 277.698 2.953 20 0 CFADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1CC12CCC2 ZINC000834828890 625888465 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/nfs/dbraw/zinc/54/23/29/626542329.db2.gz YRIUKACYBMOHEK-LBPRGKRZSA-N -1 1 255.358 2.777 20 0 CFADMM CON(C(=O)c1c(C)nc(C(C)C)[n-]c1=O)C1CCCC1 ZINC000757654179 626557210 /nfs/dbraw/zinc/55/72/10/626557210.db2.gz LCALUNPKYQXHNO-UHFFFAOYSA-N -1 1 293.367 2.560 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)CC2(C)CC2)c1 ZINC000758812565 626609581 /nfs/dbraw/zinc/60/95/81/626609581.db2.gz ADBXWJLDUVWMSP-UHFFFAOYSA-N -1 1 276.332 2.871 20 0 CFADMM CC[C@@H](CC(=O)[N-]OCC(F)F)c1ccccc1 ZINC000759352786 626649465 /nfs/dbraw/zinc/64/94/65/626649465.db2.gz WPTMXEPBPAPVMP-JTQLQIEISA-N -1 1 257.280 2.883 20 0 CFADMM CCC[C@H]1CN(C(=O)c2c([O-])cccc2Cl)CCO1 ZINC000760889974 626782589 /nfs/dbraw/zinc/78/25/89/626782589.db2.gz DUPSODPEBSAJQS-JTQLQIEISA-N -1 1 283.755 2.687 20 0 CFADMM CC(C)CCCCCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000765110469 627119747 /nfs/dbraw/zinc/11/97/47/627119747.db2.gz SVMZTDKIEGEUDB-CYBMUJFWSA-N -1 1 293.415 2.512 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCC1(C)C ZINC000805323191 627190835 /nfs/dbraw/zinc/19/08/35/627190835.db2.gz MSJFBRWRRIZELA-SNVBAGLBSA-N -1 1 277.368 2.532 20 0 CFADMM C[C@@H]1CCCC[C@@H]1CC(=O)[N-]OCC(F)(F)F ZINC000766776232 627220177 /nfs/dbraw/zinc/22/01/77/627220177.db2.gz QAHRGHUTGDLFGH-RKDXNWHRSA-N -1 1 253.264 2.813 20 0 CFADMM O=C(Nc1ccc(O)cc1F)c1ccc([O-])c(F)c1 ZINC000768729793 627367392 /nfs/dbraw/zinc/36/73/92/627367392.db2.gz MEMAHHJVBOPLQB-UHFFFAOYSA-N -1 1 265.215 2.628 20 0 CFADMM [O-]c1ccc(-c2noc(-c3ccc4nccn4c3)n2)c(F)c1 ZINC000771210385 627584602 /nfs/dbraw/zinc/58/46/02/627584602.db2.gz KBVIEUUQKAERJY-UHFFFAOYSA-N -1 1 296.261 2.896 20 0 CFADMM Cc1cc(C)cc(CCC(=O)[N-]OCC(F)(F)F)c1 ZINC000771655217 627621234 /nfs/dbraw/zinc/62/12/34/627621234.db2.gz KTDUQLRLESBXPR-UHFFFAOYSA-N -1 1 275.270 2.846 20 0 CFADMM CCCCc1noc(COC(=O)c2ccc([O-])cc2F)n1 ZINC000773568443 627838161 /nfs/dbraw/zinc/83/81/61/627838161.db2.gz GNYMLQRBLNLFRC-UHFFFAOYSA-N -1 1 294.282 2.614 20 0 CFADMM O=C(OCc1cnc(Cl)s1)c1ccc([O-])cc1F ZINC000773578438 627839091 /nfs/dbraw/zinc/83/90/91/627839091.db2.gz GXVRYLDIZXYWEA-UHFFFAOYSA-N -1 1 287.699 2.998 20 0 CFADMM CCc1ccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)cc1 ZINC000773700231 627850149 /nfs/dbraw/zinc/85/01/49/627850149.db2.gz IOUOJJKYHRGKIL-UHFFFAOYSA-N -1 1 298.371 2.833 20 0 CFADMM CCCCC[C@H](C)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773763841 627856828 /nfs/dbraw/zinc/85/68/28/627856828.db2.gz QIWJPRQNOGFVQI-JTQLQIEISA-N -1 1 292.408 2.717 20 0 CFADMM CC(C)C[C@@H](C)CC(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774942422 627980517 /nfs/dbraw/zinc/98/05/17/627980517.db2.gz CUTSIVWJJCXQFC-SNVBAGLBSA-N -1 1 297.317 2.671 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCCC[C@H](C)C1 ZINC000775167685 627997666 /nfs/dbraw/zinc/99/76/66/627997666.db2.gz APEPUORQBSIZPA-NSHDSACASA-N -1 1 291.395 2.876 20 0 CFADMM CO[C@@H]1[C@H](C)[C@H](NC(=O)c2c([O-])cccc2Cl)C1(C)C ZINC000775976086 628089650 /nfs/dbraw/zinc/08/96/50/628089650.db2.gz HUOBGRMUTMGPFG-OXHMUOHRSA-N -1 1 297.782 2.835 20 0 CFADMM CC(C)[C@H]1CCN1C(=O)c1c([O-])cccc1Cl ZINC000775980837 628090206 /nfs/dbraw/zinc/09/02/06/628090206.db2.gz UGILFHRODFFCIC-SNVBAGLBSA-N -1 1 253.729 2.916 20 0 CFADMM COc1ccc2cc([C@@H](C)OC(=O)c3cn[n-]n3)ccc2c1 ZINC000805604082 628294482 /nfs/dbraw/zinc/29/44/82/628294482.db2.gz VBSXHVIGWWHJNG-SNVBAGLBSA-N -1 1 297.314 2.885 20 0 CFADMM CC[C@H](NC(=O)c1ncccc1[O-])c1ccccc1OC ZINC000778458886 628308261 /nfs/dbraw/zinc/30/82/61/628308261.db2.gz PTTLLWTXFFAIIE-LBPRGKRZSA-N -1 1 286.331 2.677 20 0 CFADMM CC(C)(NC(=O)c1ncccc1[O-])c1ccc(F)cc1 ZINC000778709781 628327030 /nfs/dbraw/zinc/32/70/30/628327030.db2.gz KETLEZUVUHYCRA-UHFFFAOYSA-N -1 1 274.295 2.591 20 0 CFADMM CCc1cnccc1CNC(=O)c1c([O-])cccc1Cl ZINC000779004036 628344871 /nfs/dbraw/zinc/34/48/71/628344871.db2.gz RNCKRXPXRDSAAW-UHFFFAOYSA-N -1 1 290.750 2.933 20 0 CFADMM CN(C)[C@@H](C(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000779316539 628372639 /nfs/dbraw/zinc/37/26/39/628372639.db2.gz FPLAJWPFNYMBDV-OAHLLOKOSA-N -1 1 276.380 2.670 20 0 CFADMM O=C(Cc1ccccc1CO)Nc1ccc([O-])c(Cl)c1 ZINC000779820410 628411287 /nfs/dbraw/zinc/41/12/87/628411287.db2.gz WJCSDDYJFHCVEZ-UHFFFAOYSA-N -1 1 291.734 2.719 20 0 CFADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)[C@H]1CCCOC1 ZINC000780783269 628496926 /nfs/dbraw/zinc/49/69/26/628496926.db2.gz ZMNPFUPRNJSZIH-UWVGGRQHSA-N -1 1 283.755 2.591 20 0 CFADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)[C@H]1CCCOC1 ZINC000780783271 628497140 /nfs/dbraw/zinc/49/71/40/628497140.db2.gz ZMNPFUPRNJSZIH-ZJUUUORDSA-N -1 1 283.755 2.591 20 0 CFADMM O=C(NCC[C@H]1CCCCO1)c1c([O-])cccc1Cl ZINC000780812927 628498986 /nfs/dbraw/zinc/49/89/86/628498986.db2.gz IZXFJRMBCCIRQQ-SNVBAGLBSA-N -1 1 283.755 2.735 20 0 CFADMM O=C([N-]N1Cc2ccccc2C1=O)c1cc2occc2s1 ZINC000782068366 628602004 /nfs/dbraw/zinc/60/20/04/628602004.db2.gz LQZVHTNROYMLHL-UHFFFAOYSA-N -1 1 298.323 2.795 20 0 CFADMM COc1cc(C(=O)N[C@@H](C)c2ccc[nH]2)cc(Cl)c1[O-] ZINC000785419992 628881431 /nfs/dbraw/zinc/88/14/31/628881431.db2.gz SQQGSLJWUCYUCJ-QMMMGPOBSA-N -1 1 294.738 2.873 20 0 CFADMM Cn1ccsc1=NC(=O)c1cc2sccc2c([O-])c1 ZINC000788276635 629055337 /nfs/dbraw/zinc/05/53/37/629055337.db2.gz BGIDBYSAQFKCCF-UHFFFAOYSA-N -1 1 290.369 2.748 20 0 CFADMM COC(=O)c1c[n-]c(SCc2ccc3c(c2)COC3)n1 ZINC000788506763 629076381 /nfs/dbraw/zinc/07/63/81/629076381.db2.gz XDPMQNBIGGKLPH-UHFFFAOYSA-N -1 1 290.344 2.519 20 0 CFADMM CCC(O)(CC)CCNC(=O)c1c([O-])cccc1Cl ZINC000788571725 629082758 /nfs/dbraw/zinc/08/27/58/629082758.db2.gz PPKJBZMGCOEOEN-UHFFFAOYSA-N -1 1 285.771 2.717 20 0 CFADMM CCOC1CC(CC(=O)Nc2c([O-])cccc2F)C1 ZINC000789831405 629190470 /nfs/dbraw/zinc/19/04/70/629190470.db2.gz FPVMJFWAILSZBV-UHFFFAOYSA-N -1 1 267.300 2.675 20 0 CFADMM Cc1nc(CC(C)C)oc1C(=O)[N-]c1nc(C2CC2)no1 ZINC000789907077 629195799 /nfs/dbraw/zinc/19/57/99/629195799.db2.gz GGKBRRCRBKLTIL-UHFFFAOYSA-N -1 1 290.323 2.694 20 0 CFADMM C[C@@H]1CCC[C@H](OCC(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000789930504 629197843 /nfs/dbraw/zinc/19/78/43/629197843.db2.gz SSGWYVJTJITNOV-ZJUUUORDSA-N -1 1 298.770 2.974 20 0 CFADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790056529 629206108 /nfs/dbraw/zinc/20/61/08/629206108.db2.gz NWFHHOAXRWYHQR-KOLCDFICSA-N -1 1 298.770 2.974 20 0 CFADMM Cc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])c(O)c1 ZINC000790062383 629207252 /nfs/dbraw/zinc/20/72/52/629207252.db2.gz GMASIQAAIOQZPJ-UHFFFAOYSA-N -1 1 278.695 2.707 20 0 CFADMM CCN(CC1CCC1)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000794281585 629630698 /nfs/dbraw/zinc/63/06/98/629630698.db2.gz SKSXTOGTNSFYTK-UHFFFAOYSA-N -1 1 291.395 2.876 20 0 CFADMM O=C(OCc1ccccc1)c1ccc(C(=O)OC2CC2)[n-]1 ZINC000835333708 629638310 /nfs/dbraw/zinc/63/83/10/629638310.db2.gz YYXSOEYNESHBTJ-UHFFFAOYSA-N -1 1 285.299 2.691 20 0 CFADMM O=c1c2cccc3cccc(c23)c1=N[N-]c1cccc(F)n1 ZINC000795007993 629723404 /nfs/dbraw/zinc/72/34/04/629723404.db2.gz BUGLUUQWJLLIBG-UHFFFAOYSA-N -1 1 291.285 2.691 20 0 CFADMM COC(=O)c1ccc(C(=O)OCc2ccc(C)c(C)c2)[n-]1 ZINC000796364915 629909140 /nfs/dbraw/zinc/90/91/40/629909140.db2.gz GLRRZQXYWJDYHB-UHFFFAOYSA-N -1 1 287.315 2.775 20 0 CFADMM COC(=O)c1ccc(C(=O)OC[C@@H]2CC=CC[C@H]2C)[n-]1 ZINC000796799948 629969260 /nfs/dbraw/zinc/96/92/60/629969260.db2.gz DNCVLQHNJXHEQL-MNOVXSKESA-N -1 1 277.320 2.560 20 0 CFADMM COC(=O)c1ccc(C(=O)OC2C[C@H](C)C[C@@H](C)C2)[n-]1 ZINC000796911796 629988503 /nfs/dbraw/zinc/98/85/03/629988503.db2.gz QEFDRBOVHKQOEH-NXEZZACHSA-N -1 1 279.336 2.783 20 0 CFADMM COC(=O)c1ccc(C(=O)OCc2csc(C)c2)[n-]1 ZINC000797253002 630048565 /nfs/dbraw/zinc/04/85/65/630048565.db2.gz LDKKSPWSVBOEJW-UHFFFAOYSA-N -1 1 279.317 2.528 20 0 CFADMM C[C@@H]1[C@H](C(=O)[N-]O[C@@H]2CCCCO2)[C@H]1c1ccccc1 ZINC000797717835 630097878 /nfs/dbraw/zinc/09/78/78/630097878.db2.gz GRUAGMINNCGPKA-MYPMTAMASA-N -1 1 275.348 2.611 20 0 CFADMM CCOc1cccc(CC(=O)Nc2ccc(F)cc2[O-])n1 ZINC000797958705 630131877 /nfs/dbraw/zinc/13/18/77/630131877.db2.gz PKKHDXANNGTXOZ-UHFFFAOYSA-N -1 1 290.294 2.506 20 0 CFADMM COCCO[N-]C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000798974123 630266444 /nfs/dbraw/zinc/26/64/44/630266444.db2.gz XXFZREXOGXFEJS-SECBINFHSA-N -1 1 291.269 2.503 20 0 CFADMM CO[C@H](C)c1nsc([N-]C(=O)c2ncoc2C(C)C)n1 ZINC000800988505 630420689 /nfs/dbraw/zinc/42/06/89/630420689.db2.gz FGZKTHFONXFKAY-SSDOTTSWSA-N -1 1 296.352 2.609 20 0 CFADMM CC(C)=C[C@@H]1[C@@H](C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1(C)C ZINC000801699782 630466107 /nfs/dbraw/zinc/46/61/07/630466107.db2.gz CCXYKQYISFBEFW-OCCSQVGLSA-N -1 1 298.390 2.519 20 0 CFADMM CC(C)SCCOC(=O)c1ccc([O-])cc1F ZINC000803417921 630615341 /nfs/dbraw/zinc/61/53/41/630615341.db2.gz PYGDGFFIGBSYCI-UHFFFAOYSA-N -1 1 258.314 2.830 20 0 CFADMM CON(CC(C)(C)C)C(=O)c1ccc([O-])cc1F ZINC000804583199 630759378 /nfs/dbraw/zinc/75/93/78/630759378.db2.gz WRMYMSUODCQTJQ-UHFFFAOYSA-N -1 1 255.289 2.581 20 0 CFADMM C[C@H]1C[C@H](NC(=O)c2c([O-])cccc2Cl)c2nccn21 ZINC000836954488 630924075 /nfs/dbraw/zinc/92/40/75/630924075.db2.gz LNLJMGDDEGINTF-WPRPVWTQSA-N -1 1 291.738 2.678 20 0 CFADMM CC(C)c1cccc(CC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000837381405 631017282 /nfs/dbraw/zinc/01/72/82/631017282.db2.gz KCNLRWDLLXHLGY-INIZCTEOSA-N -1 1 277.364 2.927 20 0 CFADMM CC(=O)CCCCCOC(=O)c1c([O-])cc(F)cc1F ZINC000837477733 631043610 /nfs/dbraw/zinc/04/36/10/631043610.db2.gz YOYOHJRPEWAARH-UHFFFAOYSA-N -1 1 286.274 2.977 20 0 CFADMM Cc1cccc2cc(C(=O)[N-]n3ccccc3=O)sc21 ZINC000809752598 631281280 /nfs/dbraw/zinc/28/12/80/631281280.db2.gz SPZVWYNJHDVRQS-UHFFFAOYSA-N -1 1 284.340 2.755 20 0 CFADMM CC(=O)OCCCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000809985423 631308508 /nfs/dbraw/zinc/30/85/08/631308508.db2.gz MYGFEESRIQQHSY-UHFFFAOYSA-N -1 1 292.307 2.555 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@H](C)[C@H](C)[C@H]1C ZINC000841459427 631408973 /nfs/dbraw/zinc/40/89/73/631408973.db2.gz CPVDPMALJDAGGM-JBLDHEPKSA-N -1 1 291.395 2.731 20 0 CFADMM Cc1nc(SCCCCC2(C)OCCO2)[n-]c(=O)c1C ZINC000840205069 631409735 /nfs/dbraw/zinc/40/97/35/631409735.db2.gz OHGYLUHEMMPJEG-UHFFFAOYSA-N -1 1 298.408 2.824 20 0 CFADMM CCC(C)(C)C(=O)COC(=O)c1ccc([O-])cc1F ZINC000811169725 631527349 /nfs/dbraw/zinc/52/73/49/631527349.db2.gz AJONOULHSVUSBH-UHFFFAOYSA-N -1 1 268.284 2.693 20 0 CFADMM [O-]C(=NO[C@H]1CCCCO1)Nc1cc2c(cn1)CCCC2 ZINC000813013693 631817170 /nfs/dbraw/zinc/81/71/70/631817170.db2.gz ADZHPQLSZYOHKW-AWEZNQCLSA-N -1 1 291.351 2.540 20 0 CFADMM O=C([N-]O[C@H]1CCCCO1)Nc1cc2c(cn1)CCCC2 ZINC000813013693 631817171 /nfs/dbraw/zinc/81/71/71/631817171.db2.gz ADZHPQLSZYOHKW-AWEZNQCLSA-N -1 1 291.351 2.540 20 0 CFADMM CCOC1CC(N(C)C(=O)c2c([O-])cccc2Cl)C1 ZINC000813668223 631948685 /nfs/dbraw/zinc/94/86/85/631948685.db2.gz SXUMTOHEKWITMC-UHFFFAOYSA-N -1 1 283.755 2.685 20 0 CFADMM CC(C)CCn1ccc(NC([O-])=NO[C@H]2CCCCO2)n1 ZINC000156224166 650048222 /nfs/dbraw/zinc/04/82/22/650048222.db2.gz OYYMPTVJWCLEJM-ZDUSSCGKSA-N -1 1 296.371 2.509 20 0 CFADMM CC(C)CCn1ccc(NC(=O)[N-]O[C@H]2CCCCO2)n1 ZINC000156224166 650048229 /nfs/dbraw/zinc/04/82/29/650048229.db2.gz OYYMPTVJWCLEJM-ZDUSSCGKSA-N -1 1 296.371 2.509 20 0 CFADMM O=C([O-])C[C@@H]1CCCCN1Cc1ccnc(Cl)c1 ZINC000844834943 632320207 /nfs/dbraw/zinc/32/02/07/632320207.db2.gz FBUGCVLZBMNILY-NSHDSACASA-N -1 1 268.744 2.564 20 0 CFADMM O=C([N-]OCCC1CC1)[C@H]1CCCc2c(O)cccc21 ZINC000817404090 632620857 /nfs/dbraw/zinc/62/08/57/632620857.db2.gz XCSMCGPHWKGPCY-AWEZNQCLSA-N -1 1 275.348 2.660 20 0 CFADMM CC(C)OCCO[N-]C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC000846198325 632659391 /nfs/dbraw/zinc/65/93/91/632659391.db2.gz MVUZPLJQWSQFKH-NSHDSACASA-N -1 1 285.771 2.916 20 0 CFADMM CCN(C(=O)c1c([O-])cccc1Cl)[C@H]1CCCOC1 ZINC000846444283 632711367 /nfs/dbraw/zinc/71/13/67/632711367.db2.gz BYQPSZMTYBNOGN-JTQLQIEISA-N -1 1 283.755 2.687 20 0 CFADMM O=C(NCC[C@@H]1CC1(Cl)Cl)c1cc(F)ccc1[O-] ZINC000857378469 635971000 /nfs/dbraw/zinc/97/10/00/635971000.db2.gz KYUMPEYZAFEQHV-SSDOTTSWSA-N -1 1 292.137 2.845 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@@H](C)C2CCCC2)[n-]1 ZINC000851141179 634244375 /nfs/dbraw/zinc/24/43/75/634244375.db2.gz XGOIWQSRXHGSBK-VIFPVBQESA-N -1 1 265.309 2.537 20 0 CFADMM Cc1nc(-c2ccc(N[C@H]3C=CCC3)nc2)[n-]c(=O)c1C ZINC000853800602 635110347 /nfs/dbraw/zinc/11/03/47/635110347.db2.gz GMWIEXYDSTZFIZ-ZDUSSCGKSA-N -1 1 282.347 2.992 20 0 CFADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCCOC1 ZINC000885674059 635271824 /nfs/dbraw/zinc/27/18/24/635271824.db2.gz FDXYJYSUBJJVTI-SSDOTTSWSA-N -1 1 273.691 2.550 20 0 CFADMM CO[C@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C(C)C ZINC000885678756 635299431 /nfs/dbraw/zinc/29/94/31/635299431.db2.gz VNFPIXWXPGVSCG-NSHDSACASA-N -1 1 275.707 2.794 20 0 CFADMM CCC(F)(F)C(=O)[N-]Cc1cccc(C(F)(F)F)n1 ZINC000854743388 635384282 /nfs/dbraw/zinc/38/42/82/635384282.db2.gz KJJJWRJCRBMBEG-UHFFFAOYSA-N -1 1 282.212 2.762 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCCSC[C@@H]1C1CC1 ZINC000888491686 635603101 /nfs/dbraw/zinc/60/31/01/635603101.db2.gz VDXRVHIPEHIADO-CQSZACIVSA-N -1 1 295.379 2.889 20 0 CFADMM CC(C)Cc1nsc(NC(=O)c2ccc([O-])c(F)c2)n1 ZINC000855706708 635620650 /nfs/dbraw/zinc/62/06/50/635620650.db2.gz SFVVRSUYXXKOLO-UHFFFAOYSA-N -1 1 295.339 2.834 20 0 CFADMM CCN(C)[C@@H](C(=O)[N-]OCC1CCC1)c1ccccc1 ZINC000856347711 635790605 /nfs/dbraw/zinc/79/06/05/635790605.db2.gz ZMNKQKIPZGNORG-OAHLLOKOSA-N -1 1 276.380 2.527 20 0 CFADMM C[C@@H]1CCc2nc(C(=O)Nc3cccc(F)c3[O-])cn2C1 ZINC000857962410 636092208 /nfs/dbraw/zinc/09/22/08/636092208.db2.gz XUKYMAKJJGQCAX-SECBINFHSA-N -1 1 289.310 2.562 20 0 CFADMM CCCN(C[C@@H]1CCCCO1)c1cc(Cl)[n-]c(=O)n1 ZINC000858399310 636221385 /nfs/dbraw/zinc/22/13/85/636221385.db2.gz AQOGWMZBFIYRIO-JTQLQIEISA-N -1 1 285.775 2.621 20 0 CFADMM O=c1nc(N2CC[C@@H](Cc3ccccc3)C2)cc(Cl)[n-]1 ZINC000858422220 636230582 /nfs/dbraw/zinc/23/05/82/636230582.db2.gz RMDZDPSZHSFTSI-LBPRGKRZSA-N -1 1 289.766 2.905 20 0 CFADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1c1cc(Cl)[n-]c(=O)n1 ZINC000858426323 636233371 /nfs/dbraw/zinc/23/33/71/636233371.db2.gz PCEHDHIFASEJPT-OPRDCNLKSA-N -1 1 267.760 2.993 20 0 CFADMM O=c1nc(NC[C@H]2CCCCS2)cc(Cl)[n-]1 ZINC000858480471 636265895 /nfs/dbraw/zinc/26/58/95/636265895.db2.gz UYDLQPLQNPGRJP-SSDOTTSWSA-N -1 1 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279.075 2.613 20 0 CFADMM Cc1ccc([C@H](C)Oc2[n-]c(=O)nc3c2CO[C@@H]3C)cn1 ZINC001227710217 776265988 /nfs/dbraw/zinc/26/59/88/776265988.db2.gz JEJOYRCAYPZUDI-VHSXEESVSA-N -1 1 287.319 2.617 20 0 CFADMM S=c1nc2cnccc2c(OC[C@H]2CCC=CO2)[n-]1 ZINC001227882690 776316109 /nfs/dbraw/zinc/31/61/09/776316109.db2.gz ZBSJZIIOLUBIGU-SECBINFHSA-N -1 1 275.333 2.759 20 0 CFADMM S=c1nc2cnccc2c(O[C@@H]2C[C@H]3C[C@H]3C2)[n-]1 ZINC001227886586 776317314 /nfs/dbraw/zinc/31/73/14/776317314.db2.gz VXJZBJFVWFLPMY-AYMMMOKOSA-N -1 1 259.334 2.865 20 0 CFADMM CO[C@@H](COc1cc(=O)[n-]c(SC)n1)c1ccccc1 ZINC001228090111 776392013 /nfs/dbraw/zinc/39/20/13/776392013.db2.gz JBMUIDUACOYKIS-NSHDSACASA-N -1 1 292.360 2.671 20 0 CFADMM CSc1nc(O[C@@H]2CCCC[C@@H]2F)cc(=O)[n-]1 ZINC001228094021 776394631 /nfs/dbraw/zinc/39/46/31/776394631.db2.gz GJKUKCLSQATXQP-JGVFFNPUSA-N -1 1 258.318 2.564 20 0 CFADMM O=C(c1ccccc1)c1ccc([O-])cc1O[C@@H]1CCOC1 ZINC001228182213 776417467 /nfs/dbraw/zinc/41/74/67/776417467.db2.gz 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/nfs/dbraw/zinc/54/97/43/776549743.db2.gz PLXFCCKGCBTIMD-NSHDSACASA-N -1 1 259.334 2.535 20 0 CFADMM S=c1nc2ccccc2c(OC[C@H]2CCCCO2)[n-]1 ZINC001228764440 776601342 /nfs/dbraw/zinc/60/13/42/776601342.db2.gz HAFIDNQSFACJLH-SNVBAGLBSA-N -1 1 276.361 2.866 20 0 CFADMM CC1(C)CC[C@@H](COc2cc([O-])cc3oc(=O)ccc23)O1 ZINC001229129252 776726852 /nfs/dbraw/zinc/72/68/52/776726852.db2.gz LHSISASDWAFPNO-NSHDSACASA-N -1 1 290.315 2.835 20 0 CFADMM CC1(C)C[C@@H](Oc2cc([O-])cc3oc(=O)ccc23)CCO1 ZINC001229133904 776728807 /nfs/dbraw/zinc/72/88/07/776728807.db2.gz CVFIEZNKVZGUII-NSHDSACASA-N -1 1 290.315 2.835 20 0 CFADMM O=C1OCCC[C@H]1Oc1cc([O-])c(Cl)cc1Cl ZINC001229409122 776804031 /nfs/dbraw/zinc/80/40/31/776804031.db2.gz CPFOWRXHDOWERJ-SECBINFHSA-N -1 1 277.103 2.783 20 0 CFADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)CO[C@H](C)COC ZINC001229476597 776825078 /nfs/dbraw/zinc/82/50/78/776825078.db2.gz HSMSBAVNBICBDJ-VXGBXAGGSA-N -1 1 296.363 2.804 20 0 CFADMM CCC(=O)c1ccc([O-])cc1O[C@@H]1CCOC[C@H]1C 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COC(=O)c1c[n-]c(O[C@@H](C)CCc2ccccc2)n1 ZINC001230280591 776971168 /nfs/dbraw/zinc/97/11/68/776971168.db2.gz WMLNWGPZORXMMG-NSHDSACASA-N -1 1 274.320 2.596 20 0 CFADMM COC(=O)c1c[n-]c(O[C@@H](C)c2cccc(Cl)c2)n1 ZINC001230282374 776972301 /nfs/dbraw/zinc/97/23/01/776972301.db2.gz UCNPXCWAMONPSQ-QMMMGPOBSA-N -1 1 280.711 2.990 20 0 CFADMM CCOC[C@@H](C)Oc1cccnc1-c1ncccc1[O-] ZINC001231200898 777169459 /nfs/dbraw/zinc/16/94/59/777169459.db2.gz UCKJTJWTBHFBDJ-LLVKDONJSA-N -1 1 274.320 2.653 20 0 CFADMM [O-]c1cccnc1-c1ncccc1O[C@H]1C=CCC1 ZINC001231201552 777169882 /nfs/dbraw/zinc/16/98/82/777169882.db2.gz AUDUCPQKAHFFSN-NSHDSACASA-N -1 1 254.289 2.947 20 0 CFADMM O=C([O-])c1ccc(F)c(CN2CC[C@]3(C2)CCCCO3)c1 ZINC001231456574 777225617 /nfs/dbraw/zinc/22/56/17/777225617.db2.gz CZSMXVWPXNYBLT-INIZCTEOSA-N -1 1 293.338 2.669 20 0 CFADMM C[C@H]1C[C@@H](CF)N(Cc2ccc(C(=O)[O-])s2)C1 ZINC001231462757 777227606 /nfs/dbraw/zinc/22/76/06/777227606.db2.gz NVPSKVLLBOAAAB-IUCAKERBSA-N -1 1 257.330 2.626 20 0 CFADMM CC[C@@H]1CCCC[C@@H]1Oc1nc(=O)[n-]cc1OC ZINC001226820667 777658410 /nfs/dbraw/zinc/65/84/10/777658410.db2.gz BXLXUPKIBUVCDA-ZJUUUORDSA-N -1 1 252.314 2.538 20 0 CFADMM O=C1CN(Cc2cccc([O-])c2Cl)CCC[C@H]1F ZINC001232784892 777667938 /nfs/dbraw/zinc/66/79/38/777667938.db2.gz YCNFZCOIHQOGLK-SNVBAGLBSA-N -1 1 271.719 2.549 20 0 CFADMM [O-]c1cccc(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1Cl ZINC001232786065 777668306 /nfs/dbraw/zinc/66/83/06/777668306.db2.gz OWVNOIWSQBBOAO-KOLCDFICSA-N -1 1 289.709 2.512 20 0 CFADMM CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1cccc([O-])c1Cl ZINC001232786515 777669891 /nfs/dbraw/zinc/66/98/91/777669891.db2.gz ZSXOLIZSQPKJBB-XHDPSFHLSA-N -1 1 295.766 2.573 20 0 CFADMM Cc1ncc(CN(C)Cc2cccc([O-])c2Cl)cn1 ZINC001232788896 777671416 /nfs/dbraw/zinc/67/14/16/777671416.db2.gz RNYGTKAGVBZKGR-UHFFFAOYSA-N -1 1 277.755 2.776 20 0 CFADMM C[C@]1(F)CCN(Cc2ccc(F)c([O-])c2F)C[C@H]1F ZINC001232932426 777724197 /nfs/dbraw/zinc/72/41/97/777724197.db2.gz YLYQANJUEQRHLR-MFKMUULPSA-N -1 1 277.261 2.942 20 0 CFADMM Cc1noc([C@@H]2CCCN2Cc2ccc(F)c([O-])c2F)n1 ZINC001232937367 777726837 /nfs/dbraw/zinc/72/68/37/777726837.db2.gz MIMDSQGGQWNALW-NSHDSACASA-N -1 1 295.289 2.699 20 0 CFADMM CC(C)O[C@H]1CCN(Cc2ccc(F)c([O-])c2F)C1 ZINC001232936579 777726966 /nfs/dbraw/zinc/72/69/66/777726966.db2.gz DDCRXIQQYPNPLM-NSHDSACASA-N -1 1 271.307 2.670 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)c1cc2c[nH]ccc-2n1 ZINC001141833986 777740592 /nfs/dbraw/zinc/74/05/92/777740592.db2.gz QLMZXPRRIUACBT-UHFFFAOYSA-N -1 1 289.241 2.799 20 0 CFADMM [O-]c1cc(CN2CCc3c(O)cccc3C2)cc(F)c1F ZINC001232971249 777746179 /nfs/dbraw/zinc/74/61/79/777746179.db2.gz ZAWLWLQLFQXEJT-UHFFFAOYSA-N -1 1 291.297 2.934 20 0 CFADMM CN(Cc1ccncc1)Cc1cc([O-])c(F)c(F)c1 ZINC001232970735 777746613 /nfs/dbraw/zinc/74/66/13/777746613.db2.gz LWBHUMLIFYLLPV-UHFFFAOYSA-N -1 1 264.275 2.697 20 0 CFADMM C[C@]1(F)CCCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232970765 777746955 /nfs/dbraw/zinc/74/69/55/777746955.db2.gz MDNSNDGYNUIOPQ-ZDUSSCGKSA-N -1 1 259.271 2.994 20 0 CFADMM [O-]c1cc(CN2CCCC[C@H](F)C2)cc(F)c1F ZINC001232970306 777748018 /nfs/dbraw/zinc/74/80/18/777748018.db2.gz JQFVXOHINOLAQG-JTQLQIEISA-N -1 1 259.271 2.994 20 0 CFADMM [O-]c1cc(CN2CCC[C@H]2c2ncccn2)cc(F)c1F ZINC001232975029 777748808 /nfs/dbraw/zinc/74/88/08/777748808.db2.gz VZTXECGIOFHPJN-LBPRGKRZSA-N -1 1 291.301 2.798 20 0 CFADMM [O-]c1cc(CN2CCC[C@@H]2c2ncccn2)cc(F)c1F ZINC001232975023 777749371 /nfs/dbraw/zinc/74/93/71/777749371.db2.gz VZTXECGIOFHPJN-GFCCVEGCSA-N -1 1 291.301 2.798 20 0 CFADMM CC(=O)[C@@H]1CCCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232975979 777749799 /nfs/dbraw/zinc/74/97/99/777749799.db2.gz SMSUUIUSWRJTMP-LBPRGKRZSA-N -1 1 269.291 2.614 20 0 CFADMM O=C1CCN(Cc2cc(Cl)ncc2[O-])[C@@H]2CCCC[C@@H]12 ZINC001233033065 777770002 /nfs/dbraw/zinc/77/00/02/777770002.db2.gz YUZPCSAMJNWBSP-VXGBXAGGSA-N -1 1 294.782 2.774 20 0 CFADMM [O-]c1cnc(Cl)cc1CN1CC(F)(F)C[C@H]1CF ZINC001233032633 777770330 /nfs/dbraw/zinc/77/03/30/777770330.db2.gz NDOGIKISOSSHFU-QMMMGPOBSA-N -1 1 280.677 2.620 20 0 CFADMM Cc1ncccc1CN(C)Cc1cc(Cl)ncc1[O-] ZINC001233038086 777772327 /nfs/dbraw/zinc/77/23/27/777772327.db2.gz NUSROIKETLZYLE-UHFFFAOYSA-N -1 1 277.755 2.776 20 0 CFADMM [S-]c1ccc(CN2CCN(Cc3ccccn3)CC2)cc1 ZINC001233259876 777850889 /nfs/dbraw/zinc/85/08/89/777850889.db2.gz JOIJSMLZHZRSKZ-UHFFFAOYSA-N -1 1 299.443 2.688 20 0 CFADMM CCC[C@@H](Oc1c(=O)[n-]cnc1C(=O)OC)[C@H](C)CC ZINC001233760755 778067698 /nfs/dbraw/zinc/06/76/98/778067698.db2.gz XEGMENLRRASBGX-NXEZZACHSA-N -1 1 282.340 2.562 20 0 CFADMM O=C(Cc1ccc(OC2COC2)cc1)c1ccc([O-])cc1 ZINC001233940206 778119037 /nfs/dbraw/zinc/11/90/37/778119037.db2.gz CQIIYTDCNCSZAC-UHFFFAOYSA-N -1 1 284.311 2.595 20 0 CFADMM COC(=O)c1cccc2[n-]c(OC3CCCC3)nc21 ZINC001234039312 778149061 /nfs/dbraw/zinc/14/90/61/778149061.db2.gz NGYPYPLBGUZOMR-UHFFFAOYSA-N -1 1 260.293 2.671 20 0 CFADMM COC(=O)c1cccc2nc(OC3CCCC3)[n-]c21 ZINC001234039312 778149066 /nfs/dbraw/zinc/14/90/66/778149066.db2.gz NGYPYPLBGUZOMR-UHFFFAOYSA-N -1 1 260.293 2.671 20 0 CFADMM CCC[C@@H](C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234039983 778149306 /nfs/dbraw/zinc/14/93/06/778149306.db2.gz VCMBQVDFCOBGEJ-SECBINFHSA-N -1 1 262.309 2.917 20 0 CFADMM CCC[C@@H](C)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234039983 778149309 /nfs/dbraw/zinc/14/93/09/778149309.db2.gz VCMBQVDFCOBGEJ-SECBINFHSA-N -1 1 262.309 2.917 20 0 CFADMM COC(=O)c1cccc2[n-]c(O[C@@H]3C[C@H]4CC[C@@H]3C4)nc21 ZINC001234042935 778150530 /nfs/dbraw/zinc/15/05/30/778150530.db2.gz BQSXFIAVPWBIRX-OPQQBVKSSA-N -1 1 286.331 2.917 20 0 CFADMM COC(=O)c1cccc2nc(O[C@@H]3C[C@H]4CC[C@@H]3C4)[n-]c21 ZINC001234042935 778150535 /nfs/dbraw/zinc/15/05/35/778150535.db2.gz BQSXFIAVPWBIRX-OPQQBVKSSA-N -1 1 286.331 2.917 20 0 CFADMM Oc1ccc(Cl)c(O[C@H]2CCc3[nH+]ccn3C2)c1F ZINC001234263090 778194936 /nfs/dbraw/zinc/19/49/36/778194936.db2.gz QUJWFJXQDWFHIW-QMMMGPOBSA-N -1 1 282.702 2.775 20 0 CFADMM CC[C@@H]1CCCC[C@H]1Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234557740 778251812 /nfs/dbraw/zinc/25/18/12/778251812.db2.gz MYNOEOLUZLBKHB-GHMZBOCLSA-N -1 1 294.351 2.625 20 0 CFADMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@H]1CCC[C@@H]1C ZINC001234555390 778251845 /nfs/dbraw/zinc/25/18/45/778251845.db2.gz UCGKSTORDWVQNW-UWVGGRQHSA-N -1 1 294.351 2.660 20 0 CFADMM CC/C=C(\C)[C@H](CC)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234562057 778251891 /nfs/dbraw/zinc/25/18/91/778251891.db2.gz PSMHXIRSRIFWLC-FBOQAHMBSA-N -1 1 294.351 2.791 20 0 CFADMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@@H](C)C1CCC1 ZINC001234554544 778252386 /nfs/dbraw/zinc/25/23/86/778252386.db2.gz NUEFPUPUBSHFSP-VIFPVBQESA-N -1 1 294.351 2.660 20 0 CFADMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@H](C)C1CCCC1 ZINC001234606498 778263619 /nfs/dbraw/zinc/26/36/19/778263619.db2.gz DJBQQARTFKRAAC-MRVPVSSYSA-N -1 1 283.299 2.670 20 0 CFADMM O=c1[nH]cnc([O-])c1Nc1c(Cl)ccc(F)c1F ZINC001213945653 778333053 /nfs/dbraw/zinc/33/30/53/778333053.db2.gz MTOIPIFZUFJDOM-UHFFFAOYSA-N -1 1 273.626 2.563 20 0 CFADMM C[C@@H]1CN(Cc2ccc(Cl)cc2C(=O)[O-])CCCO1 ZINC001142643224 778542585 /nfs/dbraw/zinc/54/25/85/778542585.db2.gz LWVUJCMPCWKRGP-SNVBAGLBSA-N -1 1 283.755 2.649 20 0 CFADMM C[C@H](OCC[P@](=O)([O-])O)c1cccc(C(F)(F)F)c1 ZINC001224602033 778598029 /nfs/dbraw/zinc/59/80/29/778598029.db2.gz NJGAGLMOYWSXOX-QMMMGPOBSA-N -1 1 298.197 2.961 20 0 CFADMM CN(CCc1cccs1)C(=O)c1ccc([O-])cc1F ZINC000164229245 778747058 /nfs/dbraw/zinc/74/70/58/778747058.db2.gz RVBUDTGAGKWXIM-UHFFFAOYSA-N -1 1 279.336 2.908 20 0 CFADMM COC(=O)c1cc(C)cc(-c2c(F)ccc(C)c2[O-])n1 ZINC001236390326 778799308 /nfs/dbraw/zinc/79/93/08/778799308.db2.gz IXRGHABACYCRKI-UHFFFAOYSA-N -1 1 275.279 2.997 20 0 CFADMM Cc1ccc(F)c(-c2ncnc3c2[C@H](C)CC(=O)N3)c1[O-] ZINC001236394408 778802280 /nfs/dbraw/zinc/80/22/80/778802280.db2.gz XUPUAQSKAFOYSX-MRVPVSSYSA-N -1 1 287.294 2.742 20 0 CFADMM CC(C)Nc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001236485474 778847104 /nfs/dbraw/zinc/84/71/04/778847104.db2.gz XCDNMMWSIYNRKL-UHFFFAOYSA-N -1 1 280.335 2.749 20 0 CFADMM CC(C)Nc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001236485474 778847108 /nfs/dbraw/zinc/84/71/08/778847108.db2.gz XCDNMMWSIYNRKL-UHFFFAOYSA-N -1 1 280.335 2.749 20 0 CFADMM CCCCC[C@@H]1CCCCN1C(=O)c1cnncc1O ZINC001120755651 778972264 /nfs/dbraw/zinc/97/22/64/778972264.db2.gz PGMFKHVFVJVLBA-GFCCVEGCSA-N -1 1 277.368 2.757 20 0 CFADMM CCCCC[C@@H]1CCCCN1C(=O)c1cnncc1[O-] ZINC001120755651 778972268 /nfs/dbraw/zinc/97/22/68/778972268.db2.gz PGMFKHVFVJVLBA-GFCCVEGCSA-N -1 1 277.368 2.757 20 0 CFADMM C[C@@]1(CO)CC(F)(F)CN1Cc1cccc([O-])c1Cl ZINC001232784551 778976697 /nfs/dbraw/zinc/97/66/97/778976697.db2.gz OXBCOHYVRVVQRK-LBPRGKRZSA-N -1 1 291.725 2.638 20 0 CFADMM Nc1cccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001237603427 779140257 /nfs/dbraw/zinc/14/02/57/779140257.db2.gz RMEDKZAFJAWHDN-UHFFFAOYSA-N -1 1 288.372 2.947 20 0 CFADMM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3cccc(Cl)c3F)C[C@@H]21 ZINC000721268699 779238419 /nfs/dbraw/zinc/23/84/19/779238419.db2.gz UWSXBHYZLNUIQK-JFGNBEQYSA-N -1 1 283.730 2.632 20 0 CFADMM COC[C@@H]1CCN(Cc2cc(Cl)c([O-])cc2F)C1 ZINC001238145573 779261768 /nfs/dbraw/zinc/26/17/68/779261768.db2.gz DZBVZAUUOQRLCY-SECBINFHSA-N -1 1 273.735 2.653 20 0 CFADMM [O-]c1ccc(Br)c(CN2CC[C@@H](F)C2)c1F ZINC001238305119 779291570 /nfs/dbraw/zinc/29/15/70/779291570.db2.gz KWFUASOQZJDKKM-SSDOTTSWSA-N -1 1 292.123 2.838 20 0 CFADMM COC(=O)c1c(C)cc([N-]c2nnc(C)o2)cc1C ZINC001213121003 779322460 /nfs/dbraw/zinc/32/24/60/779322460.db2.gz KHDFEVHALNWVHA-UHFFFAOYSA-N -1 1 261.281 2.525 20 0 CFADMM Fc1c(Cl)cccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001238957861 779858105 /nfs/dbraw/zinc/85/81/05/779858105.db2.gz AUUFQVVADSSKSH-UHFFFAOYSA-N -1 1 275.674 2.721 20 0 CFADMM Fc1c(Cl)cccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001238957861 779858111 /nfs/dbraw/zinc/85/81/11/779858111.db2.gz AUUFQVVADSSKSH-UHFFFAOYSA-N -1 1 275.674 2.721 20 0 CFADMM COC(=O)c1nc2cc(-c3ccc(C)nc3)ccc2[n-]1 ZINC001240223787 780011707 /nfs/dbraw/zinc/01/17/07/780011707.db2.gz JETZWDNOOUTHHM-UHFFFAOYSA-N -1 1 267.288 2.720 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc(C)nc3)cc2[n-]1 ZINC001240223787 780011712 /nfs/dbraw/zinc/01/17/12/780011712.db2.gz JETZWDNOOUTHHM-UHFFFAOYSA-N -1 1 267.288 2.720 20 0 CFADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1nccn1C ZINC001168613360 780057762 /nfs/dbraw/zinc/05/77/62/780057762.db2.gz MVSPLMKUIQVWQE-NSHDSACASA-N -1 1 295.342 2.770 20 0 CFADMM COC(=O)c1nc2cc(-c3ccnc4[nH]ccc43)ccc2[n-]1 ZINC001240413522 780147856 /nfs/dbraw/zinc/14/78/56/780147856.db2.gz NTCIRUGEUSYRBS-UHFFFAOYSA-N -1 1 292.298 2.893 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccnc4[nH]ccc43)cc2[n-]1 ZINC001240413522 780147861 /nfs/dbraw/zinc/14/78/61/780147861.db2.gz NTCIRUGEUSYRBS-UHFFFAOYSA-N -1 1 292.298 2.893 20 0 CFADMM CN(C)Cc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)nc1 ZINC001240546668 780241275 /nfs/dbraw/zinc/24/12/75/780241275.db2.gz HARFDKSTDPRSBX-VQHVLOKHSA-N -1 1 282.343 2.908 20 0 CFADMM COc1cc(Nc2cc(F)c([O-])c(Cl)c2)nc(OC)n1 ZINC001214480629 780320473 /nfs/dbraw/zinc/32/04/73/780320473.db2.gz VVXSHVSNBJSXCQ-UHFFFAOYSA-N -1 1 299.689 2.736 20 0 CFADMM [O-]c1c(F)cc(Nc2nccn3ccnc23)cc1Cl ZINC001214482941 780337648 /nfs/dbraw/zinc/33/76/48/780337648.db2.gz WAWRXHKIPYFGMV-UHFFFAOYSA-N -1 1 278.674 2.971 20 0 CFADMM COC(=O)c1nc2ccc(-c3cccc4[nH]ccc43)nc2[n-]1 ZINC001240713640 780383725 /nfs/dbraw/zinc/38/37/25/780383725.db2.gz YCNHQQKQIXJBFX-UHFFFAOYSA-N -1 1 292.298 2.893 20 0 CFADMM CSc1nc(Nc2cc(F)cc(F)c2O)cc(=O)[n-]1 ZINC001212479636 780394034 /nfs/dbraw/zinc/39/40/34/780394034.db2.gz JCLKDKHGJWUYNM-UHFFFAOYSA-N -1 1 285.275 2.632 20 0 CFADMM CC(=O)c1ccc(-c2noc(-c3ncccc3[O-])n2)c(F)c1 ZINC001212480773 780395616 /nfs/dbraw/zinc/39/56/16/780395616.db2.gz HTWNNKUXEULHQB-UHFFFAOYSA-N -1 1 299.261 2.846 20 0 CFADMM COc1cc(-c2ccc(CN(C)C)cn2)ccc1C(=O)[O-] ZINC001240741639 780406249 /nfs/dbraw/zinc/40/62/49/780406249.db2.gz OKFFLCQGLKUFGK-UHFFFAOYSA-N -1 1 286.331 2.517 20 0 CFADMM FC(F)c1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001240771686 780429048 /nfs/dbraw/zinc/42/90/48/780429048.db2.gz WOZCSXYTWQPVKQ-UHFFFAOYSA-N -1 1 273.246 2.866 20 0 CFADMM FC(F)c1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001240771686 780429054 /nfs/dbraw/zinc/42/90/54/780429054.db2.gz WOZCSXYTWQPVKQ-UHFFFAOYSA-N -1 1 273.246 2.866 20 0 CFADMM CC1(C)OC(=O)c2c1ccnc2-c1ccc([O-])c(F)c1 ZINC001240783455 780436579 /nfs/dbraw/zinc/43/65/79/780436579.db2.gz RKFFQSBAQAPIMF-UHFFFAOYSA-N -1 1 273.263 2.999 20 0 CFADMM [O-]c1ccc(-c2cnc(OCc3ccccn3)cn2)cc1F ZINC001240790995 780446254 /nfs/dbraw/zinc/44/62/54/780446254.db2.gz UYMITQFECXUVPU-UHFFFAOYSA-N -1 1 297.289 2.962 20 0 CFADMM CN1CCN(c2ccc(-c3ccccc3C(=O)[O-])cc2)CC1 ZINC001240851473 780477891 /nfs/dbraw/zinc/47/78/91/780477891.db2.gz HKTWRRHPRUWNSC-UHFFFAOYSA-N -1 1 296.370 2.804 20 0 CFADMM O=C([O-])Cc1ccc(-c2cc3nc[nH]c3cc2F)cc1 ZINC001240976636 780565913 /nfs/dbraw/zinc/56/59/13/780565913.db2.gz UOVVNEKDENQHIS-UHFFFAOYSA-N -1 1 270.263 2.996 20 0 CFADMM Cc1ccc(C(=O)[O-])cc1-c1[nH]ccc2ncnc1-2 ZINC001240998288 780581371 /nfs/dbraw/zinc/58/13/71/780581371.db2.gz AKQXHSVMXHLLJV-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM Cc1ccc(C(=O)[O-])cc1-c1nccc2[nH]cnc21 ZINC001240998288 780581379 /nfs/dbraw/zinc/58/13/79/780581379.db2.gz AKQXHSVMXHLLJV-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc(C)c(OC)c3)[n-]c-2n1 ZINC001241036585 780606714 /nfs/dbraw/zinc/60/67/14/780606714.db2.gz AXTJZQVAVCNFRR-UHFFFAOYSA-N -1 1 297.314 2.729 20 0 CFADMM [O-]c1cc(F)c(-c2cc3nccnc3cn2)c(F)c1 ZINC001241116909 780645481 /nfs/dbraw/zinc/64/54/81/780645481.db2.gz HETDYVLVUPRHKO-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM CCOC(=O)c1cc(-c2c(F)cc([O-])cc2F)nc(C)n1 ZINC001241117426 780646559 /nfs/dbraw/zinc/64/65/59/780646559.db2.gz OCMXWWBLRDBDHS-UHFFFAOYSA-N -1 1 294.257 2.613 20 0 CFADMM [O-]c1cc(F)c(-c2ccc(Cn3ccnc3)cn2)c(F)c1 ZINC001241120376 780648519 /nfs/dbraw/zinc/64/85/19/780648519.db2.gz RFHGOENUDNHKKW-UHFFFAOYSA-N -1 1 287.269 2.977 20 0 CFADMM Cc1noc2ncnc(-c3c(F)cc([O-])cc3F)c12 ZINC001241119396 780648805 /nfs/dbraw/zinc/64/88/05/780648805.db2.gz LTUUGQSBLXMSMW-UHFFFAOYSA-N -1 1 263.203 2.577 20 0 CFADMM O=C1Cc2cc(-c3c(F)cc([O-])cc3F)ccc2CN1 ZINC001241121543 780649736 /nfs/dbraw/zinc/64/97/36/780649736.db2.gz MCVGESFWEQUFME-UHFFFAOYSA-N -1 1 275.254 2.510 20 0 CFADMM O=c1cc(-c2c(F)cc([O-])cc2F)ccn1CC1CC1 ZINC001241121931 780650679 /nfs/dbraw/zinc/65/06/79/780650679.db2.gz TZTFNNDTXAFXBY-UHFFFAOYSA-N -1 1 277.270 2.909 20 0 CFADMM COC(=O)c1cc(F)c(C)nc1-c1c(F)ccc([O-])c1F ZINC001241290692 780759394 /nfs/dbraw/zinc/75/93/94/780759394.db2.gz BFCAECQGPZGFON-UHFFFAOYSA-N -1 1 297.232 2.967 20 0 CFADMM CCN(C)c1ccnc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290252 780759607 /nfs/dbraw/zinc/75/96/07/780759607.db2.gz JVDLXETUUSGBOC-UHFFFAOYSA-N -1 1 265.263 2.584 20 0 CFADMM [O-]c1ccc(F)c(-c2cc(N3CCCC3)ncn2)c1F ZINC001241289522 780759685 /nfs/dbraw/zinc/75/96/85/780759685.db2.gz UTNZSRJEZJOXFU-UHFFFAOYSA-N -1 1 277.274 2.728 20 0 CFADMM [O-]c1ccc(F)c(-c2nccc3nccnc32)c1F ZINC001241290726 780760280 /nfs/dbraw/zinc/76/02/80/780760280.db2.gz BXRVMUIPATZVDH-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM [O-]c1ccc(F)c(-c2ccc(OC(F)F)nn2)c1F ZINC001241291548 780761467 /nfs/dbraw/zinc/76/14/67/780761467.db2.gz POLGIBHWSXYNFN-UHFFFAOYSA-N -1 1 274.173 2.729 20 0 CFADMM Cn1cnc2c1ccnc2-c1c(F)ccc([O-])c1F ZINC001241291658 780761784 /nfs/dbraw/zinc/76/17/84/780761784.db2.gz PQNOIPVDEFEGJQ-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM CC(=O)Nc1cccnc1-c1c(F)ccc([O-])c1F ZINC001241293081 780763483 /nfs/dbraw/zinc/76/34/83/780763483.db2.gz APKABCLFUHIBBP-UHFFFAOYSA-N -1 1 264.231 2.691 20 0 CFADMM [O-]c1ccc(F)c(-c2ncnc3cnc(F)cc32)c1F ZINC001241291880 780763553 /nfs/dbraw/zinc/76/35/53/780763553.db2.gz VWAHNRANXUUYBM-UHFFFAOYSA-N -1 1 277.205 2.815 20 0 CFADMM Cc1cc(C)n(CCC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000701145981 780765664 /nfs/dbraw/zinc/76/56/64/780765664.db2.gz YRRAWNTZSGOKRR-UHFFFAOYSA-N -1 1 293.754 2.888 20 0 CFADMM COC(=O)c1cc2cc(-c3cccc(C(=O)[O-])c3)cnc2[nH]1 ZINC001241359165 780809012 /nfs/dbraw/zinc/80/90/12/780809012.db2.gz KIHUXTREGMPIEO-UHFFFAOYSA-N -1 1 296.282 2.715 20 0 CFADMM COC(=O)c1nc2ccc(-c3cccc(C(=O)[O-])c3)cc2[nH]1 ZINC001241359631 780809870 /nfs/dbraw/zinc/80/98/70/780809870.db2.gz WSUPQRSHWODSOW-UHFFFAOYSA-N -1 1 296.282 2.715 20 0 CFADMM CCO[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000701830971 780844402 /nfs/dbraw/zinc/84/44/02/780844402.db2.gz XPLSZKHWYXXBPD-NSHDSACASA-N -1 1 283.755 2.649 20 0 CFADMM CCO[C@H]1CCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000701830971 780844420 /nfs/dbraw/zinc/84/44/20/780844420.db2.gz XPLSZKHWYXXBPD-NSHDSACASA-N -1 1 283.755 2.649 20 0 CFADMM COC(=O)c1nc2ccc(-c3cnn(C4CCC4)c3)cc2[n-]1 ZINC001241722627 781095988 /nfs/dbraw/zinc/09/59/88/781095988.db2.gz JSXPSMWLQUODLG-UHFFFAOYSA-N -1 1 296.330 2.938 20 0 CFADMM COC(=O)c1nc2cc(-c3cnn(C4CCC4)c3)ccc2[n-]1 ZINC001241722627 781095993 /nfs/dbraw/zinc/09/59/93/781095993.db2.gz JSXPSMWLQUODLG-UHFFFAOYSA-N -1 1 296.330 2.938 20 0 CFADMM O=C1Cc2cc(-c3ccc4scnc4c3)ccc2C(=O)[N-]1 ZINC001241871462 781160806 /nfs/dbraw/zinc/16/08/06/781160806.db2.gz QPEQDHXLBVAIET-UHFFFAOYSA-N -1 1 294.335 2.776 20 0 CFADMM C=Cc1cccc(-c2ccc([P@](=O)([O-])O)cc2)c1 ZINC001241964627 781206242 /nfs/dbraw/zinc/20/62/42/781206242.db2.gz UJOPMDHHXFXVOM-UHFFFAOYSA-N -1 1 260.229 2.800 20 0 CFADMM C=Cc1cccc(-c2ccc([P@@](=O)([O-])O)cc2)c1 ZINC001241964627 781206247 /nfs/dbraw/zinc/20/62/47/781206247.db2.gz UJOPMDHHXFXVOM-UHFFFAOYSA-N -1 1 260.229 2.800 20 0 CFADMM C[C@]1(C(F)(F)F)CCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000708922825 781285617 /nfs/dbraw/zinc/28/56/17/781285617.db2.gz ANYBIDHMDWVUJH-LBPRGKRZSA-N -1 1 288.269 2.554 20 0 CFADMM O=C1Cc2ccnc(-c3cc(C(F)(F)F)ccc3[O-])c2N1 ZINC001242131848 781295937 /nfs/dbraw/zinc/29/59/37/781295937.db2.gz SRQOHDQSMSAFDG-UHFFFAOYSA-N -1 1 294.232 2.968 20 0 CFADMM O=C1Cc2cc(/C=C/Cc3ccccc3)ccc2C(=O)[N-]1 ZINC001242142466 781298151 /nfs/dbraw/zinc/29/81/51/781298151.db2.gz RJBDIESDCJYULD-XBXARRHUSA-N -1 1 277.323 2.755 20 0 CFADMM Clc1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001242147190 781299800 /nfs/dbraw/zinc/29/98/00/781299800.db2.gz QNRCBGYCZRJVEK-UHFFFAOYSA-N -1 1 257.684 2.582 20 0 CFADMM Clc1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001242147190 781299807 /nfs/dbraw/zinc/29/98/07/781299807.db2.gz QNRCBGYCZRJVEK-UHFFFAOYSA-N -1 1 257.684 2.582 20 0 CFADMM Cc1c(F)cc(C(=O)[O-])cc1-c1nccc2[nH]cnc21 ZINC001242205037 781325485 /nfs/dbraw/zinc/32/54/85/781325485.db2.gz UACPUNAXARRTBP-UHFFFAOYSA-N -1 1 271.251 2.771 20 0 CFADMM Cc1c(F)cc(C(=O)[O-])cc1-c1[nH]ccc2ncnc1-2 ZINC001242205037 781325489 /nfs/dbraw/zinc/32/54/89/781325489.db2.gz UACPUNAXARRTBP-UHFFFAOYSA-N -1 1 271.251 2.771 20 0 CFADMM CC[C@@H](C)n1c(=O)[nH]c(C)c(-c2ccc(F)cc2[O-])c1=O ZINC001242218683 781333560 /nfs/dbraw/zinc/33/35/60/781333560.db2.gz LAMYDBDFBIGRNX-MRVPVSSYSA-N -1 1 292.310 2.740 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CC[C@H](c2nccs2)C1 ZINC000710493283 781334191 /nfs/dbraw/zinc/33/41/91/781334191.db2.gz NWDUTCLTJICDMX-VIFPVBQESA-N -1 1 292.335 2.618 20 0 CFADMM NC(=O)c1cc(F)c(-c2ccc(F)cc2[O-])cc1F ZINC001242219263 781334601 /nfs/dbraw/zinc/33/46/01/781334601.db2.gz QBWSVZPZGRCMOP-UHFFFAOYSA-N -1 1 267.206 2.575 20 0 CFADMM O=C([O-])c1ccc(-c2cc(N3CCCCC3)ccn2)cn1 ZINC001242333613 781403492 /nfs/dbraw/zinc/40/34/92/781403492.db2.gz DHXYPSDEGYAJOH-UHFFFAOYSA-N -1 1 283.331 2.832 20 0 CFADMM CN(C)Cc1cc(-c2ccc(C(=O)[O-])nc2)ccc1F ZINC001242337510 781409580 /nfs/dbraw/zinc/40/95/80/781409580.db2.gz JVLGQNBZAQRGLB-UHFFFAOYSA-N -1 1 274.295 2.648 20 0 CFADMM O=C1Cc2cc(F)c(-c3cccc(F)c3[O-])cc2N1 ZINC001242351206 781423211 /nfs/dbraw/zinc/42/32/11/781423211.db2.gz QVHIMMYZBJMUBN-UHFFFAOYSA-N -1 1 261.227 2.832 20 0 CFADMM COCCOc1ncc(-c2cccc(Cl)c2[O-])cn1 ZINC001242367505 781439109 /nfs/dbraw/zinc/43/91/09/781439109.db2.gz NXEQZIZCWYKBLU-UHFFFAOYSA-N -1 1 280.711 2.528 20 0 CFADMM CNS(=O)(=O)c1cccc(-c2cccc(Cl)c2[O-])c1 ZINC001242366037 781439214 /nfs/dbraw/zinc/43/92/14/781439214.db2.gz OJBNLWYPXPWUHW-UHFFFAOYSA-N -1 1 297.763 2.621 20 0 CFADMM O=c1ccnc2ccc(-c3cccc(Cl)c3[O-])cn12 ZINC001242368219 781440434 /nfs/dbraw/zinc/44/04/34/781440434.db2.gz YYDOSFBHGFNHLI-UHFFFAOYSA-N -1 1 272.691 2.721 20 0 CFADMM Cc1occc1CN(C)Cc1cc(C(=O)[O-])cs1 ZINC000711483077 781443467 /nfs/dbraw/zinc/44/34/67/781443467.db2.gz AINLKILGQKUOPG-UHFFFAOYSA-N -1 1 265.334 2.980 20 0 CFADMM O=C1Cc2cc(-c3ccc4ccccc4n3)ccc2C(=O)[N-]1 ZINC001242776103 781755410 /nfs/dbraw/zinc/75/54/10/781755410.db2.gz PNPWXPYTAJLCAB-UHFFFAOYSA-N -1 1 288.306 2.714 20 0 CFADMM CNc1cnc(-c2cccc([O-])c2Cl)cc1C(=O)OC ZINC001242797364 781763639 /nfs/dbraw/zinc/76/36/39/781763639.db2.gz HDTYPLPTDARQGC-UHFFFAOYSA-N -1 1 292.722 2.936 20 0 CFADMM CCOC(=O)c1cnc(-c2cccc([O-])c2Cl)cn1 ZINC001242797383 781763793 /nfs/dbraw/zinc/76/37/93/781763793.db2.gz HOYNFSLTDXBDFR-UHFFFAOYSA-N -1 1 278.695 2.679 20 0 CFADMM COC(=O)c1ccc(-c2cccc([O-])c2Cl)cn1 ZINC001242799758 781766043 /nfs/dbraw/zinc/76/60/43/781766043.db2.gz AVKASJAIKJGNMO-UHFFFAOYSA-N -1 1 263.680 2.894 20 0 CFADMM CCOc1cnc(-c2cccc([O-])c2Cl)cn1 ZINC001242802008 781767025 /nfs/dbraw/zinc/76/70/25/781767025.db2.gz MBBCCBUCBHQOSP-UHFFFAOYSA-N -1 1 250.685 2.901 20 0 CFADMM COC(=O)[C@H](N)c1ccc(-c2cccc([O-])c2Cl)cc1 ZINC001242802255 781767266 /nfs/dbraw/zinc/76/72/66/781767266.db2.gz CUJBDRMAPTYJRC-CQSZACIVSA-N -1 1 291.734 2.885 20 0 CFADMM [O-]c1cccc(-c2ccc(Cc3nn[nH]n3)cc2)c1Cl ZINC001242801955 781767804 /nfs/dbraw/zinc/76/78/04/781767804.db2.gz JDOIVRVRJUZKJF-UHFFFAOYSA-N -1 1 286.722 2.817 20 0 CFADMM NC(=O)c1cc(-c2cccc([O-])c2Cl)ccc1F ZINC001242803301 781768850 /nfs/dbraw/zinc/76/88/50/781768850.db2.gz YUFZQCVBIOTSIX-UHFFFAOYSA-N -1 1 265.671 2.951 20 0 CFADMM [O-]c1c(Cl)cc(-c2cc3c(nn2)CNC3)cc1Cl ZINC001242851810 781800625 /nfs/dbraw/zinc/80/06/25/781800625.db2.gz OQMINCBZXQVQHA-UHFFFAOYSA-N -1 1 282.130 2.759 20 0 CFADMM Cn1ccc2c1ccnc2-c1ccccc1C(=O)[O-] ZINC001242877497 781816613 /nfs/dbraw/zinc/81/66/13/781816613.db2.gz IJYCKTIPAUSUPB-UHFFFAOYSA-N -1 1 252.273 2.939 20 0 CFADMM COc1c(OC2[C@H](C)CCC[C@H]2C)nc(C)[n-]c1=O ZINC001230027267 781843161 /nfs/dbraw/zinc/84/31/61/781843161.db2.gz VSQONGCTQUJUQK-RKDXNWHRSA-N -1 1 266.341 2.703 20 0 CFADMM CCC1CCC(Oc2nc(C)[n-]c(=O)c2OC)CC1 ZINC001230024447 781843208 /nfs/dbraw/zinc/84/32/08/781843208.db2.gz GLXVIHCNUNEHRR-UHFFFAOYSA-N -1 1 266.341 2.847 20 0 CFADMM Clc1cc2[n-]c(O[C@@H]3CCCOC3)nc2c(Cl)n1 ZINC001231045388 781895059 /nfs/dbraw/zinc/89/50/59/781895059.db2.gz WDAKNCJHIJJKFC-ZCFIWIBFSA-N -1 1 288.134 2.823 20 0 CFADMM Clc1cc2nc(O[C@@H]3CCCOC3)[n-]c2c(Cl)n1 ZINC001231045388 781895062 /nfs/dbraw/zinc/89/50/62/781895062.db2.gz WDAKNCJHIJJKFC-ZCFIWIBFSA-N -1 1 288.134 2.823 20 0 CFADMM Cc1oc(C(=O)[O-])cc1CN1C[C@H](C)S[C@@H](C)C1 ZINC000070383947 346909882 /nfs/dbraw/zinc/90/98/82/346909882.db2.gz APHLILBIDVQTDD-IUCAKERBSA-N -1 1 269.366 2.612 20 0 CFADMM O=C([N-]O[C@H]1CCCCO1)Nc1nc2ccsc2s1 ZINC000274762030 295703270 /nfs/dbraw/zinc/70/32/70/295703270.db2.gz DWBSAFGQDXRBMQ-QMMMGPOBSA-N -1 1 299.377 2.938 20 0 CFADMM CO[C@@H](C)c1nc(=NCCC2(CSC)CC2)s[n-]1 ZINC000596420732 349898423 /nfs/dbraw/zinc/89/84/23/349898423.db2.gz ZFWCMGZZEGDRJW-VIFPVBQESA-N -1 1 287.454 2.613 20 0 CFADMM COc1cccc([N-]S(=O)(=O)c2cccc(OC)c2)c1 ZINC000074934525 347044322 /nfs/dbraw/zinc/04/43/22/347044322.db2.gz DYXKZGPKLAMYFV-UHFFFAOYSA-N -1 1 293.344 2.505 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1O ZINC000174739577 232299578 /nfs/dbraw/zinc/29/95/78/232299578.db2.gz IUXIZFMTKOHVIH-UHFFFAOYSA-N -1 1 295.335 2.949 20 0 CFADMM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000174053067 232287322 /nfs/dbraw/zinc/28/73/22/232287322.db2.gz BOUQLRXWVJQVGX-UHFFFAOYSA-N -1 1 299.783 2.789 20 0 CFADMM Cc1csc(CNC2(C(=O)[O-])CCCCCC2)n1 ZINC000041812609 346355554 /nfs/dbraw/zinc/35/55/54/346355554.db2.gz ZUOLLEGUCKOVLR-UHFFFAOYSA-N -1 1 268.382 2.719 20 0 CFADMM CSC1(CNC(=O)c2cc(F)ccc2[O-])CCC1 ZINC000194630572 232508401 /nfs/dbraw/zinc/50/84/01/232508401.db2.gz IWTFKRYPHMQMKH-UHFFFAOYSA-N -1 1 269.341 2.547 20 0 CFADMM O=S(=O)(Cc1ccccc1)[N-]c1cccc(C2CC2)n1 ZINC000295211016 232616352 /nfs/dbraw/zinc/61/63/52/232616352.db2.gz PFQHABFEKSDZIU-UHFFFAOYSA-N -1 1 288.372 2.901 20 0 CFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCC(C)(C)C ZINC000081538460 347425657 /nfs/dbraw/zinc/42/56/57/347425657.db2.gz MSKHLRXDECCQSM-UHFFFAOYSA-N -1 1 293.411 2.542 20 0 CFADMM C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C(C)(C)C1 ZINC000083058396 347448044 /nfs/dbraw/zinc/44/80/44/347448044.db2.gz HJWMVRZMOTWWFU-JTQLQIEISA-N -1 1 285.347 2.596 20 0 CFADMM CCc1onc(C)c1[N-]C(=O)c1cc(C2CC2)on1 ZINC000089397950 347516809 /nfs/dbraw/zinc/51/68/09/347516809.db2.gz LBXMPKGWGBWNFZ-UHFFFAOYSA-N -1 1 261.281 2.663 20 0 CFADMM CCCc1ccc([C@@H](NCc2n[nH]c(=O)[n-]2)C(C)C)cc1 ZINC000091596367 347593693 /nfs/dbraw/zinc/59/36/93/347593693.db2.gz USIYXCFSHJXJPJ-HNNXBMFYSA-N -1 1 288.395 2.537 20 0 CFADMM C[C@]1(CO)CCC[C@@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000092602315 347633857 /nfs/dbraw/zinc/63/38/57/347633857.db2.gz IBLIKRKSTUVWRJ-FUHWJXTLSA-N -1 1 299.370 2.826 20 0 CFADMM CC(C)(O)[C@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000092929756 347651847 /nfs/dbraw/zinc/65/18/47/347651847.db2.gz YDFBRRSDRTXCHV-MRXNPFEDSA-N -1 1 299.370 2.921 20 0 CFADMM Clc1cccc(Cl)c1CSCc1nn[n-]n1 ZINC000095338370 347697910 /nfs/dbraw/zinc/69/79/10/347697910.db2.gz PDNFIJIBYKZCRD-UHFFFAOYSA-N -1 1 275.164 2.940 20 0 CFADMM CCN(CC(F)(F)F)C(=O)c1cc(F)ccc1[O-] ZINC000128642506 187381253 /nfs/dbraw/zinc/38/12/53/187381253.db2.gz MKMGWDMDSSNDHL-UHFFFAOYSA-N -1 1 265.206 2.556 20 0 CFADMM C[C@@H](CCC(C)(C)C)NC(=O)c1cncc([O-])c1 ZINC000128450960 347851174 /nfs/dbraw/zinc/85/11/74/347851174.db2.gz NAAYOXLERKFLRF-JTQLQIEISA-N -1 1 250.342 2.732 20 0 CFADMM CC(C)C[C@@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000131799943 347880732 /nfs/dbraw/zinc/88/07/32/347880732.db2.gz VJSJVOBHXFWNIE-LBPRGKRZSA-N -1 1 299.374 2.574 20 0 CFADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1[O-])C1CC1 ZINC000132747746 347887301 /nfs/dbraw/zinc/88/73/01/347887301.db2.gz PWPBCHBCYMEXQU-QMMMGPOBSA-N -1 1 253.729 2.822 20 0 CFADMM COc1cc(C(=O)[N-]c2nc(C(C)(C)C)cs2)on1 ZINC000154516090 347980856 /nfs/dbraw/zinc/98/08/56/347980856.db2.gz UPPIVEHFPRFLOH-UHFFFAOYSA-N -1 1 281.337 2.690 20 0 CFADMM Cc1ccccc1[C@H](C)C(=O)[N-]OCC(F)(F)F ZINC000934903816 649849661 /nfs/dbraw/zinc/84/96/61/649849661.db2.gz XTELDNBOARMKQT-VIFPVBQESA-N -1 1 261.243 2.709 20 0 CFADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)C[C@H](C)S1 ZINC000235646918 348229183 /nfs/dbraw/zinc/22/91/83/348229183.db2.gz OUKBJGSCRAVTOU-UWVGGRQHSA-N -1 1 283.368 2.850 20 0 CFADMM CC(=O)Nc1ccc([O-])c(-c2nc(CC(C)C)no2)c1 ZINC000273390034 192136056 /nfs/dbraw/zinc/13/60/56/192136056.db2.gz HYAPOXOWRIPUHL-UHFFFAOYSA-N -1 1 275.308 2.599 20 0 CFADMM CC(=O)Nc1ccc([O-])c(-c2nc(C(C)(C)C)no2)c1 ZINC000273466702 192161799 /nfs/dbraw/zinc/16/17/99/192161799.db2.gz PELSUYZEVYTSRH-UHFFFAOYSA-N -1 1 275.308 2.698 20 0 CFADMM CCCc1cc(=O)[n-]c(SCCc2ccncc2)n1 ZINC000588333826 348784612 /nfs/dbraw/zinc/78/46/12/348784612.db2.gz QAHWHKBURVWZKT-UHFFFAOYSA-N -1 1 275.377 2.865 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)C[C@@H]2CCCC[C@@H]2C)[n-]1 ZINC000591303328 349007134 /nfs/dbraw/zinc/00/71/34/349007134.db2.gz UGENRTCLJQTNSD-QWRGUYRKSA-N -1 1 293.367 2.741 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)C[C@@H]2CCCC[C@@H]2C)n1 ZINC000591303328 349007137 /nfs/dbraw/zinc/00/71/37/349007137.db2.gz UGENRTCLJQTNSD-QWRGUYRKSA-N -1 1 293.367 2.741 20 0 CFADMM Cc1cnc(C(=O)N2C[C@@H](C)CC(C)(C)C2)c([O-])c1 ZINC000427914926 539710101 /nfs/dbraw/zinc/71/01/01/539710101.db2.gz OSNAUWIDDXKRFQ-NSHDSACASA-N -1 1 262.353 2.604 20 0 CFADMM CSCC1(CCNC(=O)c2ccc([O-])cc2F)CC1 ZINC000597987068 350173248 /nfs/dbraw/zinc/17/32/48/350173248.db2.gz SJNIMHALLHZHFH-UHFFFAOYSA-N -1 1 283.368 2.794 20 0 CFADMM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000105621194 186066013 /nfs/dbraw/zinc/06/60/13/186066013.db2.gz CSZINWAPXYIUED-WRWORJQWSA-N -1 1 293.310 2.571 20 0 CFADMM O=S(=O)([N-]CCC1CC1)c1c(F)cccc1Cl ZINC000132898587 539798058 /nfs/dbraw/zinc/79/80/58/539798058.db2.gz XCDWRFKSNNLBOA-UHFFFAOYSA-N -1 1 277.748 2.558 20 0 CFADMM O=C(NCc1cccc(C(F)(F)F)c1)c1cncc([O-])c1 ZINC000109040547 186240636 /nfs/dbraw/zinc/24/06/36/186240636.db2.gz FYOVBWNTCJADKJ-UHFFFAOYSA-N -1 1 296.248 2.736 20 0 CFADMM CN(Cc1nc2ccccc2s1)C(=O)c1cncc([O-])c1 ZINC000109042325 186240761 /nfs/dbraw/zinc/24/07/61/186240761.db2.gz OFCAPMGLRZSDJH-UHFFFAOYSA-N -1 1 299.355 2.669 20 0 CFADMM O=C(Nc1cccc(OC(F)F)c1)c1cncc([O-])c1 ZINC000109042733 186241727 /nfs/dbraw/zinc/24/17/27/186241727.db2.gz FGXBZTRKLCTEPK-UHFFFAOYSA-N -1 1 280.230 2.641 20 0 CFADMM C[C@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)C(C)(C)C ZINC000108785656 186229931 /nfs/dbraw/zinc/22/99/31/186229931.db2.gz NHPVIIVPDLOGTA-ZCFIWIBFSA-N -1 1 278.278 2.834 20 0 CFADMM Cc1ccccc1SCC(=O)Nc1ccncc1[O-] ZINC000109890367 186277242 /nfs/dbraw/zinc/27/72/42/186277242.db2.gz HQRZFPVERIUTNE-UHFFFAOYSA-N -1 1 274.345 2.826 20 0 CFADMM CCSc1cc(C(=O)Nc2ccncc2[O-])ccn1 ZINC000109889408 186277749 /nfs/dbraw/zinc/27/77/49/186277749.db2.gz QONVLXUYBCRZNP-UHFFFAOYSA-N -1 1 275.333 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288.347 2.920 20 0 CFADMM CCCc1c(C)[n-]n(-c2ccc(C)c(C(=O)OC)c2)c1=O ZINC000601950439 350816897 /nfs/dbraw/zinc/81/68/97/350816897.db2.gz OUBFARQUPPDGRL-ZDUSSCGKSA-N -1 1 288.347 2.920 20 0 CFADMM CCc1c(=O)n(-c2cccc(C(=O)OC)c2)[n-]c1C(C)C ZINC000601945441 350813416 /nfs/dbraw/zinc/81/34/16/350813416.db2.gz RRKGWXRQJVFFKU-CYBMUJFWSA-N -1 1 288.347 2.858 20 0 CFADMM CSC1(CNC(=O)N=c2[n-]sc3ccccc32)CC1 ZINC000603051984 351095864 /nfs/dbraw/zinc/09/58/64/351095864.db2.gz NUNSYEFHULIASJ-UHFFFAOYSA-N -1 1 293.417 2.735 20 0 CFADMM Cc1noc(C)c1[C@@H](C)C(=O)Nc1c([O-])cccc1F ZINC000605436703 351245763 /nfs/dbraw/zinc/24/57/63/351245763.db2.gz LXGIMDDDOMGCCU-SSDOTTSWSA-N -1 1 278.283 2.878 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1ccc2c(c1)CCO2 ZINC000605435939 351245813 /nfs/dbraw/zinc/24/58/13/351245813.db2.gz JAKPPHUSATXZPN-UHFFFAOYSA-N -1 1 273.263 2.719 20 0 CFADMM O=C(Nc1c([O-])cccc1F)[C@@H]1COc2ccccc2C1 ZINC000605436796 351245898 /nfs/dbraw/zinc/24/58/98/351245898.db2.gz 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CO[C@]1(C)CCCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000289592928 381059811 /nfs/dbraw/zinc/05/98/11/381059811.db2.gz VZTCJTUPIWMRBV-OAHLLOKOSA-N -1 1 299.317 2.702 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)C1C[C@H]2CC[C@@H](C1)C2=O ZINC000368562198 381067174 /nfs/dbraw/zinc/06/71/74/381067174.db2.gz OFDZBDRBFCQKCR-ULKQDVFKSA-N -1 1 293.750 2.989 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H]2OCC[C@H]2C1 ZINC000368472824 381037939 /nfs/dbraw/zinc/03/79/39/381037939.db2.gz BBLXLAMLWXZVIX-WMLDXEAASA-N -1 1 297.354 2.796 20 0 CFADMM CC(C)C[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000289738991 381128259 /nfs/dbraw/zinc/12/82/59/381128259.db2.gz IKIUAEDYXUZSJB-QMMMGPOBSA-N -1 1 257.280 2.835 20 0 CFADMM COc1ccc(C(=O)Nc2c(C)cccc2O)c([O-])c1 ZINC000183027459 381199862 /nfs/dbraw/zinc/19/98/62/381199862.db2.gz GTHMAQMINRTCEI-UHFFFAOYSA-N -1 1 273.288 2.667 20 0 CFADMM CC[C@H]1Cc2ccccc2CN1C(=O)c1cncc([O-])c1 ZINC000183851648 381330399 /nfs/dbraw/zinc/33/03/99/381330399.db2.gz WTYJZTTVIPZHFO-HNNXBMFYSA-N -1 1 282.343 2.764 20 0 CFADMM CCOC1CC(N(C)C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000290296074 381374398 /nfs/dbraw/zinc/37/43/98/381374398.db2.gz ZRRWPDNOUNSVPO-UHFFFAOYSA-N -1 1 283.755 2.685 20 0 CFADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)C1CC1 ZINC000347776210 381343472 /nfs/dbraw/zinc/34/34/72/381343472.db2.gz LAITXYKCOPYYNX-RXMQYKEDSA-N -1 1 292.282 2.661 20 0 CFADMM CCC[C@H](NC(=O)c1c(C)oc2ccccc21)c1nn[n-]n1 ZINC000184440203 381416407 /nfs/dbraw/zinc/41/64/07/381416407.db2.gz GTMMDJICKZDITE-NSHDSACASA-N -1 1 299.334 2.526 20 0 CFADMM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000354686151 381403051 /nfs/dbraw/zinc/40/30/51/381403051.db2.gz GEPZXFNFSIBNDJ-MRVPVSSYSA-N -1 1 285.287 2.597 20 0 CFADMM CC[C@@H](NC(=O)c1cc(Cl)ccc1[O-])[C@H](O)C(C)C ZINC000412741271 381424772 /nfs/dbraw/zinc/42/47/72/381424772.db2.gz FIXVUCOJEXOIAN-DGCLKSJQSA-N -1 1 285.771 2.571 20 0 CFADMM O=C(NCCOC1CCCCC1)c1c(F)ccc([O-])c1F ZINC000290441156 381431567 /nfs/dbraw/zinc/43/15/67/381431567.db2.gz 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BCTDRVYVCAMNPK-ZDUSSCGKSA-N -1 1 290.436 2.627 20 0 CFADMM CCOC1CC(CCN=c2nc(C(F)(F)F)[n-]s2)C1 ZINC000343210112 381666434 /nfs/dbraw/zinc/66/64/34/381666434.db2.gz YMIJJIVFVDRUAC-UHFFFAOYSA-N -1 1 295.330 2.596 20 0 CFADMM Cc1ccc([C@H](NC(=O)c2cncc([O-])c2)C2CC2)cc1 ZINC000348749676 381694657 /nfs/dbraw/zinc/69/46/57/381694657.db2.gz LJMMRMSBCFQKET-INIZCTEOSA-N -1 1 282.343 2.977 20 0 CFADMM CCCC[C@H]1CCC[C@H]1NC(=O)c1cncc([O-])c1 ZINC000348829561 381725570 /nfs/dbraw/zinc/72/55/70/381725570.db2.gz WFLGLRJOAGLQJT-SMDDNHRTSA-N -1 1 262.353 2.876 20 0 CFADMM COc1ccc(S(=O)(=O)[N-]c2cccnc2C)c(C)c1 ZINC000343509966 381761855 /nfs/dbraw/zinc/76/18/55/381761855.db2.gz JYLUNGWJUWVGDQ-UHFFFAOYSA-N -1 1 292.360 2.508 20 0 CFADMM CO[C@@H]1CCC[C@H]1Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000292774282 381831166 /nfs/dbraw/zinc/83/11/66/381831166.db2.gz XSRQQBNXDCCGEO-GHMZBOCLSA-N -1 1 266.366 2.719 20 0 CFADMM CN(Cc1nc(=O)c2sccc2[n-]1)[C@H]1C=CCCC1 ZINC000186188840 381847274 /nfs/dbraw/zinc/84/72/74/381847274.db2.gz MSESWZWBEWSBMN-JTQLQIEISA-N -1 1 275.377 2.525 20 0 CFADMM Cc1ncsc1CCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000299161067 381848150 /nfs/dbraw/zinc/84/81/50/381848150.db2.gz ZKIFQBYKWNLZLU-UHFFFAOYSA-N -1 1 297.767 2.777 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)[C@@H]2CCCC(C)(C)C2)[n-]1 ZINC000415635360 381864349 /nfs/dbraw/zinc/86/43/49/381864349.db2.gz CSJSZHKNNKEUIF-SNVBAGLBSA-N -1 1 293.367 2.741 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CCCC(C)(C)C2)n1 ZINC000415635360 381864351 /nfs/dbraw/zinc/86/43/51/381864351.db2.gz CSJSZHKNNKEUIF-SNVBAGLBSA-N -1 1 293.367 2.741 20 0 CFADMM O=C([N-]Cc1ccc(-c2ccncc2)cc1)C(F)(F)F ZINC000373088414 381923959 /nfs/dbraw/zinc/92/39/59/381923959.db2.gz RYNCPRXGCYXEGY-UHFFFAOYSA-N -1 1 280.249 2.927 20 0 CFADMM CC(C)(CNC(=O)c1ncccc1[O-])c1ccc(F)cc1 ZINC000343818926 381962545 /nfs/dbraw/zinc/96/25/45/381962545.db2.gz GNIWQJZKXLEVRA-UHFFFAOYSA-N -1 1 288.322 2.634 20 0 CFADMM C[C@H]1CCC[C@H](C)N(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000349776504 381989169 /nfs/dbraw/zinc/98/91/69/381989169.db2.gz LPZUGAJMDFMBMN-QWRGUYRKSA-N -1 1 293.436 2.790 20 0 CFADMM CC(C)[C@@H](NCc1cccc([O-])c1Cl)c1nncn1C ZINC000293281028 382060908 /nfs/dbraw/zinc/06/09/08/382060908.db2.gz OCTGFQVWAZWSIO-CYBMUJFWSA-N -1 1 294.786 2.661 20 0 CFADMM C[C@@H](NC(=O)c1ncccc1[O-])c1ccc2ncsc2c1 ZINC000362504498 382108241 /nfs/dbraw/zinc/10/82/41/382108241.db2.gz ILLXLUQGQFHXRL-SECBINFHSA-N -1 1 299.355 2.888 20 0 CFADMM Cc1cccc(CN(C)C(=O)c2ncccc2[O-])c1C ZINC000293556395 382173531 /nfs/dbraw/zinc/17/35/31/382173531.db2.gz CRWAQPJVKNDSHC-UHFFFAOYSA-N -1 1 270.332 2.676 20 0 CFADMM Cc1cc(F)ccc1CS(=O)(=O)c1ccc([O-])cc1 ZINC000187416507 382177493 /nfs/dbraw/zinc/17/74/93/382177493.db2.gz ZTTVKKWXGBTYQJ-UHFFFAOYSA-N -1 1 280.320 2.814 20 0 CFADMM Cc1nc(C(C)(C)NCc2cccc([O-])c2Cl)no1 ZINC000293483792 382141409 /nfs/dbraw/zinc/14/14/09/382141409.db2.gz FZVQWFLWLHXUEL-UHFFFAOYSA-N -1 1 281.743 2.762 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccnc2[nH]cnc21 ZINC000357378237 382141547 /nfs/dbraw/zinc/14/15/47/382141547.db2.gz RPEGNIDSMSBFON-UHFFFAOYSA-N -1 1 288.694 2.569 20 0 CFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc[nH]c1C1CCC1 ZINC000362597274 382166039 /nfs/dbraw/zinc/16/60/39/382166039.db2.gz VSKONBAPIGNQLY-UHFFFAOYSA-N -1 1 299.256 2.671 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)[C@@H](C)CC2CCCC2)[n-]1 ZINC000352164748 382202492 /nfs/dbraw/zinc/20/24/92/382202492.db2.gz WPPWGKUQJAKAHU-JTQLQIEISA-N -1 1 293.367 2.741 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](C)CC2CCCC2)n1 ZINC000352164748 382202497 /nfs/dbraw/zinc/20/24/97/382202497.db2.gz WPPWGKUQJAKAHU-JTQLQIEISA-N -1 1 293.367 2.741 20 0 CFADMM CCOC1(C)CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000293781851 382276554 /nfs/dbraw/zinc/27/65/54/382276554.db2.gz ZINTXFVSFVSHFP-UHFFFAOYSA-N -1 1 281.327 2.563 20 0 CFADMM CO[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CC[C@H]1C ZINC000187832556 382278607 /nfs/dbraw/zinc/27/86/07/382278607.db2.gz HXHDSGIGCFUWIP-NOZJJQNGSA-N -1 1 283.755 2.543 20 0 CFADMM CCC[C@H](C(=O)[N-]OC[C@@H]1CCOC1)c1ccccc1 ZINC000187830490 382278892 /nfs/dbraw/zinc/27/88/92/382278892.db2.gz IPMSOQRKTKYWDZ-HIFRSBDPSA-N -1 1 277.364 2.655 20 0 CFADMM CC(C)c1noc(=N[C@H](C)[C@H](c2ccccc2)N(C)C)[n-]1 ZINC000357657060 382268881 /nfs/dbraw/zinc/26/88/81/382268881.db2.gz FGBFLLMOTDJQDM-TZMCWYRMSA-N -1 1 288.395 2.718 20 0 CFADMM CCCc1nc(CSc2nc(C3CC3)cc(=O)[n-]2)no1 ZINC000188133792 382352779 /nfs/dbraw/zinc/35/27/79/382352779.db2.gz UJRWJJHNXULXOR-UHFFFAOYSA-N -1 1 292.364 2.687 20 0 CFADMM CC[C@H]1CCN1C(=O)c1cc(Br)ccc1[O-] ZINC000293941131 382346624 /nfs/dbraw/zinc/34/66/24/382346624.db2.gz ILEHVLCCVJGHPC-VIFPVBQESA-N -1 1 284.153 2.779 20 0 CFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H]1CF ZINC000294155528 382437852 /nfs/dbraw/zinc/43/78/52/382437852.db2.gz RSFBJNCWCIFHDW-SECBINFHSA-N -1 1 291.244 2.985 20 0 CFADMM CCOC1(CNC(=O)c2c([O-])cccc2F)CCCC1 ZINC000294087996 382411403 /nfs/dbraw/zinc/41/14/03/382411403.db2.gz KBSXVQRSOOXOHB-UHFFFAOYSA-N -1 1 281.327 2.610 20 0 CFADMM O=C(NC[C@H]1CCC[C@H](O)C1)c1cc2ccccc2cc1[O-] ZINC000304641067 382413548 /nfs/dbraw/zinc/41/35/48/382413548.db2.gz UTJALKSDULUGOR-WFASDCNBSA-N -1 1 299.370 2.826 20 0 CFADMM Cc1[nH]c([C@@H]2CCCN2CCC(=O)[O-])nc1-c1ccccc1 ZINC000378195536 382415543 /nfs/dbraw/zinc/41/55/43/382415543.db2.gz XMNZJMNEFBNJNC-AWEZNQCLSA-N -1 1 299.374 2.997 20 0 CFADMM CCOc1cc(C(=O)NCC2(C)CC2)cc(Cl)c1[O-] ZINC000358137485 382465398 /nfs/dbraw/zinc/46/53/98/382465398.db2.gz YTTWGAQIELPKJP-UHFFFAOYSA-N -1 1 283.755 2.974 20 0 CFADMM C[C@H](NC(=O)c1cncc([O-])c1)[C@@H]1CC2CCC1CC2 ZINC000381580689 382521426 /nfs/dbraw/zinc/52/14/26/382521426.db2.gz BPXHRMRFXFCTOO-QZLRTXKQSA-N -1 1 274.364 2.732 20 0 CFADMM O=C(c1ncccc1[O-])N1C[C@@H]2CCCCCC[C@H]21 ZINC000366285620 382497605 /nfs/dbraw/zinc/49/76/05/382497605.db2.gz OOUYGSRMDFZXKC-NWDGAFQWSA-N -1 1 260.337 2.582 20 0 CFADMM O=C([N-][C@@H]1CCOC2(CCCCC2)C1)C(F)(F)F ZINC000366401332 382504584 /nfs/dbraw/zinc/50/45/84/382504584.db2.gz JFBXQNIVSUXCLX-SECBINFHSA-N -1 1 265.275 2.547 20 0 CFADMM C[C@@H]1CN(Cc2c(F)cccc2F)CC[C@H]1C(=O)[O-] ZINC000311416159 382505134 /nfs/dbraw/zinc/50/51/34/382505134.db2.gz APODXQBWIHGFJQ-NXEZZACHSA-N -1 1 269.291 2.507 20 0 CFADMM CCc1ccc(C(=O)N2CCOc3nc(C)ccc32)c([O-])c1 ZINC000189170963 382559173 /nfs/dbraw/zinc/55/91/73/382559173.db2.gz FKFILVVHYVZGBP-UHFFFAOYSA-N -1 1 298.342 2.697 20 0 CFADMM C[C@@H]1CCN(C(=O)c2cc(F)cc3nn[nH]c32)CC1(C)C ZINC000328659800 382562118 /nfs/dbraw/zinc/56/21/18/382562118.db2.gz UEQPATBFMRPMGY-SECBINFHSA-N -1 1 290.342 2.605 20 0 CFADMM CO[C@H](C)c1nc(=NCC(C)(C)C2CCC2)s[n-]1 ZINC000384925125 382562529 /nfs/dbraw/zinc/56/25/29/382562529.db2.gz HFQICDKTIALYMN-SECBINFHSA-N -1 1 269.414 2.906 20 0 CFADMM C[C@H](CC(C)(C)O)[NH2+]Cc1cccc([O-])c1Cl ZINC000295059291 382571506 /nfs/dbraw/zinc/57/15/06/382571506.db2.gz OCAKJPRZVTZOIL-SECBINFHSA-N -1 1 257.761 2.685 20 0 CFADMM C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccccc1OC(F)F ZINC000397023072 382632482 /nfs/dbraw/zinc/63/24/82/382632482.db2.gz STOLBAZFOXOHGB-PWSUYJOCSA-N -1 1 299.317 2.973 20 0 CFADMM O=C([O-])[C@H]1CN(C2c3ccccc3-c3ccccc32)CCO1 ZINC000387848546 382602845 /nfs/dbraw/zinc/60/28/45/382602845.db2.gz IDIUDAAIQUQESV-MRXNPFEDSA-N -1 1 295.338 2.542 20 0 CFADMM CC[C@@H]1CCC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000388795051 382609197 /nfs/dbraw/zinc/60/91/97/382609197.db2.gz LCZUSHIKFCWOTE-KOLCDFICSA-N -1 1 251.301 2.840 20 0 CFADMM Cc1c(=O)[n-]c(S[C@H]2CCOC2)nc1-c1ccccc1 ZINC000189481214 382614787 /nfs/dbraw/zinc/61/47/87/382614787.db2.gz CGRHHZQPUZKGJR-LBPRGKRZSA-N -1 1 288.372 2.626 20 0 CFADMM C[C@H](CCCO)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000295325654 382617657 /nfs/dbraw/zinc/61/76/57/382617657.db2.gz DJASOCOBFRWBEY-GFCCVEGCSA-N -1 1 287.359 2.684 20 0 CFADMM CCN(CCC1CC1)C(=O)c1cc(F)ccc1[O-] ZINC000385903909 382579768 /nfs/dbraw/zinc/57/97/68/382579768.db2.gz CPLCSBYXTQPPGR-UHFFFAOYSA-N -1 1 251.301 2.794 20 0 CFADMM COc1ccc(-c2nc([C@@H]3CC[C@H](C)O3)no2)c([O-])c1 ZINC000398392769 382635931 /nfs/dbraw/zinc/63/59/31/382635931.db2.gz XRSXZODGVKJVDX-UFBFGSQYSA-N -1 1 276.292 2.691 20 0 CFADMM C[C@H](CN(C)Cc1nc(C(=O)[O-])cs1)C(C)(C)C ZINC000399397964 382638544 /nfs/dbraw/zinc/63/85/44/382638544.db2.gz QPTLHYIGIWYPDJ-SECBINFHSA-N -1 1 270.398 2.955 20 0 CFADMM O=C(Nc1ccncc1[O-])c1ccc2ncsc2c1 ZINC000199838439 382772521 /nfs/dbraw/zinc/77/25/21/382772521.db2.gz INXVUEKYFYTUKF-UHFFFAOYSA-N -1 1 271.301 2.649 20 0 CFADMM CC[C@@H]1OCC[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000575635103 382776567 /nfs/dbraw/zinc/77/65/67/382776567.db2.gz PEDSMHZZHMIGHM-ZBFHGGJFSA-N -1 1 285.343 2.843 20 0 CFADMM C[C@H]1C[C@@H](NC(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000220156665 382795275 /nfs/dbraw/zinc/79/52/75/382795275.db2.gz AQPUIOUMFWTYHR-FZMZJTMJSA-N -1 1 285.343 2.843 20 0 CFADMM C[C@H]1C[C@@H](NC(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000220161606 382795456 /nfs/dbraw/zinc/79/54/56/382795456.db2.gz WERXNNXTPFOJIQ-AAEUAGOBSA-N -1 1 285.343 2.843 20 0 CFADMM O=C([O-])c1cc(CN2CCC[C@@H](OCC3CC3)C2)cs1 ZINC000575929082 382804398 /nfs/dbraw/zinc/80/43/98/382804398.db2.gz NCBFVLQSLSHSNK-CYBMUJFWSA-N -1 1 295.404 2.837 20 0 CFADMM CC[C@@H](F)CN(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000576046364 382808433 /nfs/dbraw/zinc/80/84/33/382808433.db2.gz KHYYDBNQGPFBIX-SNVBAGLBSA-N -1 1 275.270 2.600 20 0 CFADMM O=S(=O)([N-]Cc1ccoc1)c1cc2ccccc2o1 ZINC000577176874 382850468 /nfs/dbraw/zinc/85/04/68/382850468.db2.gz GJKVGLKAUWRUHR-UHFFFAOYSA-N -1 1 277.301 2.504 20 0 CFADMM Cc1cnc([C@@H](C)N(C)Cc2ccc(C(=O)[O-])cc2)cn1 ZINC000577183729 382850757 /nfs/dbraw/zinc/85/07/57/382850757.db2.gz ARYCFSYYEMDPTB-GFCCVEGCSA-N -1 1 285.347 2.676 20 0 CFADMM CCCCc1nc(CSc2ncc(C)c(=O)[n-]2)no1 ZINC000576361191 382820426 /nfs/dbraw/zinc/82/04/26/382820426.db2.gz PCZJJXAAXFHWGV-UHFFFAOYSA-N -1 1 280.353 2.509 20 0 CFADMM C[C@H](c1ccccc1Br)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226444964 382828752 /nfs/dbraw/zinc/82/87/52/382828752.db2.gz PFDWSLGECQVZNN-NXEZZACHSA-N -1 1 298.180 2.917 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1[C@H]1CCCC1=O ZINC000226519188 382829076 /nfs/dbraw/zinc/82/90/76/382829076.db2.gz QQDKAYUEYPKCJJ-OCCSQVGLSA-N -1 1 291.322 2.505 20 0 CFADMM COc1cccc([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000226603589 382830114 /nfs/dbraw/zinc/83/01/14/382830114.db2.gz ORAXWKBYOUZEPX-SSDOTTSWSA-N -1 1 279.233 2.773 20 0 CFADMM Cc1cnc(SCCN2CCc3ccccc32)[n-]c1=O ZINC000576839292 382839010 /nfs/dbraw/zinc/83/90/10/382839010.db2.gz XJBDCFRLRRIRAK-UHFFFAOYSA-N -1 1 287.388 2.645 20 0 CFADMM Cc1ccc2c(c1)N(C(=O)c1cncc([O-])c1)C[C@@H](C)O2 ZINC000576893002 382840430 /nfs/dbraw/zinc/84/04/30/382840430.db2.gz QKCDKPBEXCPHHI-LLVKDONJSA-N -1 1 284.315 2.523 20 0 CFADMM CCc1nc(SCc2cccnc2OC)[n-]c(=O)c1C ZINC000577388196 382857257 /nfs/dbraw/zinc/85/72/57/382857257.db2.gz CKGJSBVQMQNJGA-UHFFFAOYSA-N -1 1 291.376 2.749 20 0 CFADMM C[C@@H](CC(=O)[O-])N(C)Cc1coc(-c2ccccc2)n1 ZINC000577411672 382858757 /nfs/dbraw/zinc/85/87/57/382858757.db2.gz MQQPTWIDDMNSAX-NSHDSACASA-N -1 1 274.320 2.637 20 0 CFADMM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000337727908 382858935 /nfs/dbraw/zinc/85/89/35/382858935.db2.gz CLCSSGYHEMXCIV-MWLCHTKSSA-N -1 1 289.347 2.822 20 0 CFADMM C[C@@H](CO)CCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000230318860 382858983 /nfs/dbraw/zinc/85/89/83/382858983.db2.gz PNZTXNJXANFQTE-GFCCVEGCSA-N -1 1 287.359 2.684 20 0 CFADMM CC[C@@H]1CCC[C@@H]1N=c1nc([C@@H](C)OC)[n-]s1 ZINC000337850816 382871732 /nfs/dbraw/zinc/87/17/32/382871732.db2.gz FSFBBSRHIVDHIR-BBBLOLIVSA-N -1 1 255.387 2.658 20 0 CFADMM CC[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[O-])CCO1 ZINC000421664883 382889879 /nfs/dbraw/zinc/88/98/79/382889879.db2.gz RPDNKYBPRPYRBG-GHMZBOCLSA-N -1 1 283.755 2.733 20 0 CFADMM Cc1noc(C)c1[N-]C(=O)c1nc2cccnc2s1 ZINC000338153590 382936417 /nfs/dbraw/zinc/93/64/17/382936417.db2.gz JOPVKNLYDJJCNC-UHFFFAOYSA-N -1 1 274.305 2.548 20 0 CFADMM CCC(C)(C)C1CCC(CC(=O)Nc2nnn[n-]2)CC1 ZINC000338181070 382944846 /nfs/dbraw/zinc/94/48/46/382944846.db2.gz ZLHZCHYUFCYWOV-UHFFFAOYSA-N -1 1 279.388 2.771 20 0 CFADMM CCC(C)(C)C1CCC(CC(=O)Nc2nn[n-]n2)CC1 ZINC000338181070 382944850 /nfs/dbraw/zinc/94/48/50/382944850.db2.gz ZLHZCHYUFCYWOV-UHFFFAOYSA-N -1 1 279.388 2.771 20 0 CFADMM CC(C)CN(CCC(=O)[O-])Cc1nnc(C(C)C)s1 ZINC000578756065 382951308 /nfs/dbraw/zinc/95/13/08/382951308.db2.gz BZQXWBYCTIXHFO-UHFFFAOYSA-N -1 1 285.413 2.594 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000421889635 382961945 /nfs/dbraw/zinc/96/19/45/382961945.db2.gz OPEPMALZAIKTPY-CKYFFXLPSA-N -1 1 289.331 2.554 20 0 CFADMM CCOc1cccc([C@@H](C)NC(=O)c2ncccc2[O-])c1 ZINC000338066109 382915311 /nfs/dbraw/zinc/91/53/11/382915311.db2.gz JMTMFRUIJPRADN-LLVKDONJSA-N -1 1 286.331 2.677 20 0 CFADMM Cc1cccc2c1CC[C@H]2NC(=O)C(=O)c1ccc([O-])cc1 ZINC000548798619 382983961 /nfs/dbraw/zinc/98/39/61/382983961.db2.gz KIHBRVADGZORBN-MRXNPFEDSA-N -1 1 295.338 2.687 20 0 CFADMM CC(=O)[C@@H](Sc1nc(C)c(C)c(=O)[n-]1)C(C)C ZINC000579229698 382994719 /nfs/dbraw/zinc/99/47/19/382994719.db2.gz PTQCXLZFOFDTPP-JTQLQIEISA-N -1 1 254.355 2.505 20 0 CFADMM CC(C)n1ccc(CN2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)n1 ZINC000579378220 383011311 /nfs/dbraw/zinc/01/13/11/383011311.db2.gz VYFXRGPVJASPSX-OUCADQQQSA-N -1 1 279.384 2.538 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H](CCCO)C1 ZINC000457144696 382970724 /nfs/dbraw/zinc/97/07/24/382970724.db2.gz JVVCXLFLQMIQOC-ZDUSSCGKSA-N -1 1 299.370 2.780 20 0 CFADMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2sccc2F)[C@@H]1C ZINC000338851700 383068579 /nfs/dbraw/zinc/06/85/79/383068579.db2.gz YRMUMBQVCFBTAE-KKZNHRDASA-N -1 1 291.413 2.990 20 0 CFADMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1sccc1F ZINC000338872162 383072925 /nfs/dbraw/zinc/07/29/25/383072925.db2.gz LISZNBHNYNLNMY-HTQZYQBOSA-N -1 1 265.375 2.600 20 0 CFADMM CCCc1cc(=O)[n-]c(SCC(C)(C)C(=O)OCC)n1 ZINC000554397025 383133664 /nfs/dbraw/zinc/13/36/64/383133664.db2.gz ALMPTBLCGQNNBF-UHFFFAOYSA-N -1 1 298.408 2.816 20 0 CFADMM Cc1ccc2[nH]cc(C(=O)N3CC(C)=C[C@H](C)C3)c(=O)c2c1 ZINC000553213102 383101888 /nfs/dbraw/zinc/10/18/88/383101888.db2.gz LOBQWPLQIMRLPA-LBPRGKRZSA-N -1 1 296.370 2.875 20 0 CFADMM C[C@@H](CC1CCC1)NC(=O)c1ccc([O-])c(F)c1 ZINC000634369561 383178781 /nfs/dbraw/zinc/17/87/81/383178781.db2.gz CYHSYDFSBNRDMC-VIFPVBQESA-N -1 1 251.301 2.840 20 0 CFADMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1CCOCC(F)F ZINC000518565948 383204110 /nfs/dbraw/zinc/20/41/10/383204110.db2.gz UHQHSFMEIUMCHW-STQMWFEESA-N -1 1 299.317 2.558 20 0 CFADMM Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)n2)o1 ZINC000247980579 383205123 /nfs/dbraw/zinc/20/51/23/383205123.db2.gz MJWZVSLLIQZWDD-IAZYJMLFSA-N -1 1 286.335 2.748 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3nc4ccccc4o3)c(=O)c21 ZINC000634586545 383248515 /nfs/dbraw/zinc/24/85/15/383248515.db2.gz OCUWCOMXGAQOHM-UFBFGSQYSA-N -1 1 255.277 2.577 20 0 CFADMM C[C@@H](C1CC1)n1[n-]c2c(c1=O)CCc1ccccc1-2 ZINC000634597132 383258173 /nfs/dbraw/zinc/25/81/73/383258173.db2.gz BURKFGNCGHWRMF-IINYFYTJSA-N -1 1 254.333 2.594 20 0 CFADMM Cc1ccc([O-])c(C(=O)c2cnn(Cc3cccnc3)c2)c1 ZINC000339605634 383260818 /nfs/dbraw/zinc/26/08/18/383260818.db2.gz VZMILSYOGWKUPA-UHFFFAOYSA-N -1 1 293.326 2.571 20 0 CFADMM CCc1c(C(C)C)[n-]n([C@@H]2CCOC(C)(C)C2)c1=O ZINC000634622123 383281526 /nfs/dbraw/zinc/28/15/26/383281526.db2.gz XCJABXDDJJWHHK-VXGBXAGGSA-N -1 1 266.385 2.824 20 0 CFADMM C[C@H]1CCc2c(=O)n(CCCc3ccccc3)[n-]c21 ZINC000634603568 383265238 /nfs/dbraw/zinc/26/52/38/383265238.db2.gz DFJJUBLFJZFILZ-JSGCOSHPSA-N -1 1 256.349 2.864 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC[C@@H](F)C2)c1 ZINC000424816619 383269089 /nfs/dbraw/zinc/26/90/89/383269089.db2.gz BJKQZBZZSPCQEX-MWLCHTKSSA-N -1 1 295.310 2.646 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3cc(F)c(F)cc3F)c(=O)c21 ZINC000634612390 383272817 /nfs/dbraw/zinc/27/28/17/383272817.db2.gz XKNRDISAEKMFAV-SREIQFSDSA-N -1 1 268.238 2.853 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3cccc(C(F)(F)F)n3)c(=O)c21 ZINC000634611713 383273330 /nfs/dbraw/zinc/27/33/30/383273330.db2.gz BRHOULQBBBNGOC-CPCISQLKSA-N 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ZINC000568523269 383412375 /nfs/dbraw/zinc/41/23/75/383412375.db2.gz YXNHNPWPXDQLBP-CYBMUJFWSA-N -1 1 299.374 2.557 20 0 CFADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2F)C[C@H](C)S1 ZINC000568061704 383350778 /nfs/dbraw/zinc/35/07/78/383350778.db2.gz OFZWKBDGUCTNLV-AOOOYVTPSA-N -1 1 283.368 2.850 20 0 CFADMM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](Oc2ccccc2)C1 ZINC000568098597 383358926 /nfs/dbraw/zinc/35/89/26/383358926.db2.gz KMZOIMOTYFNBIB-DLBZAZTESA-N -1 1 297.354 2.966 20 0 CFADMM Cc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1[O-] ZINC000340329994 383413661 /nfs/dbraw/zinc/41/36/61/383413661.db2.gz XCADYSGSGIALMK-UHFFFAOYSA-N -1 1 299.305 2.828 20 0 CFADMM CCOC(=O)c1csc(=NC2CCC3(CC3)CC2)[n-]1 ZINC000450482788 383430423 /nfs/dbraw/zinc/43/04/23/383430423.db2.gz HJORSIRJUWURLN-UHFFFAOYSA-N -1 1 280.393 2.876 20 0 CFADMM CC(=O)c1[n-]c(=N[C@@H](C)c2c(F)cncc2F)sc1C ZINC000450537290 383451149 /nfs/dbraw/zinc/45/11/49/383451149.db2.gz WTCMZBREBWSJFL-LURJTMIESA-N -1 1 297.330 2.922 20 0 CFADMM CC[C@H](CC(F)(F)F)NC(=O)c1ncc(C)cc1[O-] ZINC000427919259 383419084 /nfs/dbraw/zinc/41/90/84/383419084.db2.gz WHUHHXJZVWLQDV-MRVPVSSYSA-N -1 1 276.258 2.556 20 0 CFADMM O=S(=O)([N-]CC1CC=CC1)c1sccc1Cl ZINC000528469690 383545889 /nfs/dbraw/zinc/54/58/89/383545889.db2.gz NGHJGEJVQROSCW-UHFFFAOYSA-N -1 1 277.798 2.646 20 0 CFADMM Cc1n[n-]c(=NCc2ccc(C)cc2Cl)n1C1CC1 ZINC000569931776 383552566 /nfs/dbraw/zinc/55/25/66/383552566.db2.gz KSNFMRUFCNDYAH-UHFFFAOYSA-N -1 1 276.771 2.917 20 0 CFADMM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000340916015 383503071 /nfs/dbraw/zinc/50/30/71/383503071.db2.gz GYWUMDDPGMBGJK-CABZTGNLSA-N -1 1 289.347 2.822 20 0 CFADMM CN(CCC1CCCCC1)Cc1cc(C(=O)[O-])nn1C ZINC000635301659 383527010 /nfs/dbraw/zinc/52/70/10/383527010.db2.gz LLHIBRGPGCGVIS-UHFFFAOYSA-N -1 1 279.384 2.521 20 0 CFADMM C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@@]1(C)C(=O)[O-] ZINC000569818879 383540426 /nfs/dbraw/zinc/54/04/26/383540426.db2.gz ZOTQYNKACMGEQO-MEBBXXQBSA-N -1 1 296.436 2.983 20 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20 0 CFADMM CN(CCC(=O)[O-])Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000262667956 383633993 /nfs/dbraw/zinc/63/39/93/383633993.db2.gz QGWYEHAJELSKOL-UHFFFAOYSA-N -1 1 296.273 2.526 20 0 CFADMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1F)CC(F)F ZINC000645795775 383751288 /nfs/dbraw/zinc/75/12/88/383751288.db2.gz PYIYEGHWOOINFM-SSDOTTSWSA-N -1 1 299.289 2.534 20 0 CFADMM Cc1cc([C@@H](C)N2CCS[C@H](C)C2)oc1C(=O)[O-] ZINC000572127627 383756498 /nfs/dbraw/zinc/75/64/98/383756498.db2.gz LWCKHQSPFGHATQ-NXEZZACHSA-N -1 1 269.366 2.785 20 0 CFADMM C[C@@H]1CC[C@@H]1NC(=O)N=c1[n-]sc2ccccc21 ZINC000640340028 383765474 /nfs/dbraw/zinc/76/54/74/383765474.db2.gz MSHFQDZALWWTEF-SCZZXKLOSA-N -1 1 261.350 2.638 20 0 CFADMM C[C@@H]1SCC[C@@H]1NC(=O)N=c1[n-]sc2ccccc21 ZINC000640338444 383765519 /nfs/dbraw/zinc/76/55/19/383765519.db2.gz XMFVMIRIWRNUOD-WPRPVWTQSA-N -1 1 293.417 2.734 20 0 CFADMM CC[C@H]1CCN1C(=O)N=c1[n-]sc2ccccc21 ZINC000640340059 383765552 /nfs/dbraw/zinc/76/55/52/383765552.db2.gz MZFJGSKXTBPLAT-VIFPVBQESA-N -1 1 261.350 2.734 20 0 CFADMM CCOCCCCNC(=O)N=c1[n-]sc2ccccc21 ZINC000640341549 383766610 /nfs/dbraw/zinc/76/66/10/383766610.db2.gz GOZQOLDMZPWBEX-UHFFFAOYSA-N -1 1 293.392 2.656 20 0 CFADMM CC[C@H](C)N(C)C(=O)N=c1[n-]sc2ccccc21 ZINC000640342357 383766665 /nfs/dbraw/zinc/76/66/65/383766665.db2.gz OUUWQOIXDWBOCP-VIFPVBQESA-N -1 1 263.366 2.980 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)NCC1CCC1 ZINC000640342358 383767093 /nfs/dbraw/zinc/76/70/93/383767093.db2.gz OWMGIVOOHFRDBP-UHFFFAOYSA-N -1 1 261.350 2.640 20 0 CFADMM CC(C)CN(C)C(=O)N=c1[n-]sc2ccccc21 ZINC000640342043 383767252 /nfs/dbraw/zinc/76/72/52/383767252.db2.gz LSFDLLGQDSMMBC-UHFFFAOYSA-N -1 1 263.366 2.838 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)NCCC(F)(F)F ZINC000640344029 383768138 /nfs/dbraw/zinc/76/81/38/383768138.db2.gz ZEJXKGSWCTVGCJ-UHFFFAOYSA-N -1 1 289.282 2.792 20 0 CFADMM C[C@@H](CN(C)C(=O)c1cncc([O-])c1)c1ccccc1 ZINC000264692100 383772530 /nfs/dbraw/zinc/77/25/30/383772530.db2.gz AJPBMWFMVQFWIC-LBPRGKRZSA-N -1 1 270.332 2.663 20 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384651194 /nfs/dbraw/zinc/65/11/94/384651194.db2.gz RDYBRIAFXCPPII-UHFFFAOYSA-N -1 1 282.343 2.997 20 0 CFADMM COc1ccc(C(=O)Nc2cnc(C(C)C)nc2)c([O-])c1 ZINC000279824095 384776317 /nfs/dbraw/zinc/77/63/17/384776317.db2.gz BSYFGLYXNYKLIZ-UHFFFAOYSA-N -1 1 287.319 2.567 20 0 CFADMM CSCCCCCNC(=O)c1c(F)ccc([O-])c1F ZINC000289250685 197274619 /nfs/dbraw/zinc/27/46/19/197274619.db2.gz AYPQGHANDANXIJ-UHFFFAOYSA-N -1 1 289.347 2.934 20 0 CFADMM CN(C[C@@H]1CCC[C@H]1O)C(=O)c1cc2ccccc2cc1[O-] ZINC000270192020 385010046 /nfs/dbraw/zinc/01/00/46/385010046.db2.gz YDOMZRFZADVGTP-GOEBONIOSA-N -1 1 299.370 2.778 20 0 CFADMM CCCCOCCCNC(=O)c1c(F)ccc([O-])c1F ZINC000280677883 385110923 /nfs/dbraw/zinc/11/09/23/385110923.db2.gz CFNGGBZJONZNAZ-UHFFFAOYSA-N -1 1 287.306 2.607 20 0 CFADMM CC[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)CCS1 ZINC000289199583 197260582 /nfs/dbraw/zinc/26/05/82/197260582.db2.gz BINNFABOEUOLMB-MRVPVSSYSA-N -1 1 287.331 2.638 20 0 CFADMM O=C(NCC1CCCCC1)c1c(F)ccc([O-])c1F ZINC000289190064 197258302 /nfs/dbraw/zinc/25/83/02/197258302.db2.gz UGBUGYOENVZNOA-UHFFFAOYSA-N -1 1 269.291 2.981 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCOCC12CCCC2 ZINC000270724228 385203769 /nfs/dbraw/zinc/20/37/69/385203769.db2.gz PCUBDMTVJUSEKL-UHFFFAOYSA-N -1 1 295.766 2.831 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)C2(C)CCCC2)c1 ZINC000282843407 385398059 /nfs/dbraw/zinc/39/80/59/385398059.db2.gz ROKYBMBXVQSVSK-UHFFFAOYSA-N -1 1 277.320 2.698 20 0 CFADMM Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)n1 ZINC000271943026 385406920 /nfs/dbraw/zinc/40/69/20/385406920.db2.gz PFBZPXLTEWDCEZ-INIZCTEOSA-N -1 1 298.386 2.539 20 0 CFADMM Cn1[n-]cc2/c(=N\C(=O)CC3(C)CCCCC3)ccnc1-2 ZINC000283137060 385439206 /nfs/dbraw/zinc/43/92/06/385439206.db2.gz ITGVWALEXHOQJI-UYRXBGFRSA-N -1 1 286.379 2.641 20 0 CFADMM CO[C@H](C)c1nc(=NC2CCC(C(F)F)CC2)s[n-]1 ZINC000413454911 533120126 /nfs/dbraw/zinc/12/01/26/533120126.db2.gz WFIUROQJHQIPTA-AFPNSQJFSA-N -1 1 291.367 2.903 20 0 CFADMM C[C@@H](C1CC1)N(C(=O)c1ccc([O-])cc1F)C1CC1 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CFADMM C[C@H]1CC(F)(F)CCN1Cc1ccoc1C(=O)[O-] ZINC000530174228 270764407 /nfs/dbraw/zinc/76/44/07/270764407.db2.gz WJNPBZSECLANJY-QMMMGPOBSA-N -1 1 259.252 2.597 20 0 CFADMM CC(C)(C)C[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000307777245 277148231 /nfs/dbraw/zinc/14/82/31/277148231.db2.gz PZJZAOKGYPSAIZ-LLVKDONJSA-N -1 1 262.353 2.686 20 0 CFADMM CC(=C\c1ccccc1)/C=C\c1cc(=O)n2[n-]cnc2n1 ZINC000352035073 277928669 /nfs/dbraw/zinc/92/86/69/277928669.db2.gz LSEFPOCQJYPWME-HVTAIUIQSA-N -1 1 278.315 2.534 20 0 CFADMM C[C@@H]1OCCN(Cc2cccc([O-])c2Cl)[C@H]1C ZINC000295479159 278053474 /nfs/dbraw/zinc/05/34/74/278053474.db2.gz XBGCBAGVKGXJEO-UWVGGRQHSA-N -1 1 255.745 2.655 20 0 CFADMM COc1cncc(C(=O)[N-]c2c(F)cc(Cl)cc2F)n1 ZINC000362492656 278074474 /nfs/dbraw/zinc/07/44/74/278074474.db2.gz OBKFVRKDEHLWAQ-UHFFFAOYSA-N -1 1 299.664 2.669 20 0 CFADMM CC1(C)CCC[C@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000274616489 278244719 /nfs/dbraw/zinc/24/47/19/278244719.db2.gz JIERVCFCYJZHFU-LURJTMIESA-N -1 1 276.262 2.588 20 0 CFADMM O=C(c1c([O-])cnc2ccccc21)N1CC[C@@H](C2CC2)C1 ZINC000371375300 280157378 /nfs/dbraw/zinc/15/73/78/280157378.db2.gz NKWLGBBNLZHSIP-GFCCVEGCSA-N -1 1 282.343 2.813 20 0 CFADMM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1nn[n-]n1 ZINC000342857887 280267672 /nfs/dbraw/zinc/26/76/72/280267672.db2.gz NDUWCZOIDJKULP-UHFFFAOYSA-N -1 1 293.286 2.660 20 0 CFADMM O=C(c1ccccc1[O-])N1CCc2ccc(F)cc21 ZINC000058740798 280457067 /nfs/dbraw/zinc/45/70/67/280457067.db2.gz LZMABTIOYLVAFI-UHFFFAOYSA-N -1 1 257.264 2.734 20 0 CFADMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000074927802 280508437 /nfs/dbraw/zinc/50/84/37/280508437.db2.gz QKILDNZRFHOGHM-UHFFFAOYSA-N -1 1 291.328 2.525 20 0 CFADMM O=C(Nc1ccc2c(c1)CCO2)c1cc(F)ccc1[O-] ZINC000080001971 280537142 /nfs/dbraw/zinc/53/71/42/280537142.db2.gz OUZSMNSOVQVJGJ-UHFFFAOYSA-N -1 1 273.263 2.719 20 0 CFADMM CCc1onc(C)c1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC000089398002 280561933 /nfs/dbraw/zinc/56/19/33/280561933.db2.gz ANCHNIMMLKDJIT-UHFFFAOYSA-N -1 1 298.302 2.848 20 0 CFADMM C[C@@H]1CC(NC(=O)c2cc(Cl)ccc2[O-])C[C@@H](C)O1 ZINC000120560470 280615172 /nfs/dbraw/zinc/61/51/72/280615172.db2.gz SLEZPUSALMQWHN-RKDXNWHRSA-N -1 1 283.755 2.731 20 0 CFADMM O=C(NCCOC1CCCCC1)c1cc(F)ccc1[O-] ZINC000124054744 280637338 /nfs/dbraw/zinc/63/73/38/280637338.db2.gz ULVBIVVGYABXCI-UHFFFAOYSA-N -1 1 281.327 2.610 20 0 CFADMM CCCCn1nccc1NC(=O)c1ccc(OC)cc1[O-] ZINC000124659827 280639752 /nfs/dbraw/zinc/63/97/52/280639752.db2.gz HWJMPVDUXDEGMS-UHFFFAOYSA-N -1 1 289.335 2.650 20 0 CFADMM O=c1cc(C(F)(F)F)nc(SCC2CC2)[n-]1 ZINC000130126215 280699377 /nfs/dbraw/zinc/69/93/77/280699377.db2.gz RRHKLAIVJWNKJZ-UHFFFAOYSA-N -1 1 250.245 2.703 20 0 CFADMM Cc1noc(C)c1[C@@H](C)CNC(=O)c1c([O-])cccc1F ZINC000130590231 280705900 /nfs/dbraw/zinc/70/59/00/280705900.db2.gz NUZVDBKXHBPHEK-QMMMGPOBSA-N -1 1 292.310 2.670 20 0 CFADMM COC[C@H](NC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000131221474 280713655 /nfs/dbraw/zinc/71/36/55/280713655.db2.gz SIHVPHIBWIHKLH-ZDUSSCGKSA-N -1 1 289.306 2.649 20 0 CFADMM [O-]c1ccc(F)cc1-c1nc(Cc2ccccn2)no1 ZINC000132979300 280738765 /nfs/dbraw/zinc/73/87/65/280738765.db2.gz ISVOVNVYTWNJAW-UHFFFAOYSA-N -1 1 271.251 2.567 20 0 CFADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(F)cn2)no1 ZINC000132994316 280738788 /nfs/dbraw/zinc/73/87/88/280738788.db2.gz MGBYGOWZANWDPG-UHFFFAOYSA-N -1 1 275.214 2.782 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCc2ccccc2CC1 ZINC000226427250 280934723 /nfs/dbraw/zinc/93/47/23/280934723.db2.gz GKDQSEWHQBCSNS-UHFFFAOYSA-N -1 1 285.318 2.772 20 0 CFADMM CC[C@H]1CCCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000408370800 281074085 /nfs/dbraw/zinc/07/40/85/281074085.db2.gz QAGWJMGUEYMPGK-LBPRGKRZSA-N -1 1 262.353 2.748 20 0 CFADMM CCOc1cc(C(=O)N[C@H](C)CF)cc(Cl)c1[O-] ZINC000292019718 281137281 /nfs/dbraw/zinc/13/72/81/281137281.db2.gz WXZJWMILNFUFQA-SSDOTTSWSA-N -1 1 275.707 2.532 20 0 CFADMM CCCc1cc(C(=O)[N-]c2nnc(C(F)F)s2)no1 ZINC000294467793 281139815 /nfs/dbraw/zinc/13/98/15/281139815.db2.gz IMPIULXDSTWBPE-UHFFFAOYSA-N -1 1 288.279 2.669 20 0 CFADMM Cc1ccc2nc(-c3ccc(F)cn3)[n-]c(=O)c2c1 ZINC000352205319 281148563 /nfs/dbraw/zinc/14/85/63/281148563.db2.gz DYNCIMQDTAZAGL-UHFFFAOYSA-N -1 1 255.252 2.845 20 0 CFADMM C[C@H]1CSC[C@@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000397929052 281203463 /nfs/dbraw/zinc/20/34/63/281203463.db2.gz LLGGHFHWWOZLQU-XVKPBYJWSA-N -1 1 271.769 2.527 20 0 CFADMM C[C@H]1CSC[C@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000397929048 281203492 /nfs/dbraw/zinc/20/34/92/281203492.db2.gz LLGGHFHWWOZLQU-OIBJUYFYSA-N -1 1 271.769 2.527 20 0 CFADMM CC[C@H]1COCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000036819349 281204243 /nfs/dbraw/zinc/20/42/43/281204243.db2.gz PJUBKAAJZVPLOV-AWEZNQCLSA-N -1 1 285.343 2.796 20 0 CFADMM O=C(NCCOC(F)(F)F)c1cc2ccccc2cc1[O-] ZINC000398203662 281205334 /nfs/dbraw/zinc/20/53/34/281205334.db2.gz ZRIFNXPJPFFSKZ-UHFFFAOYSA-N -1 1 299.248 2.812 20 0 CFADMM CC[C@H]1C[C@H](C)CN1C(=O)c1cc(F)ccc1[O-] ZINC000336321537 281234522 /nfs/dbraw/zinc/23/45/22/281234522.db2.gz PETOSWDWCAQTFD-ONGXEEELSA-N -1 1 251.301 2.792 20 0 CFADMM CCc1nc(SCc2ncnn2C(C)C)[n-]c(=O)c1C ZINC000516316022 281302911 /nfs/dbraw/zinc/30/29/11/281302911.db2.gz YMTZMZCOORHAEN-UHFFFAOYSA-N -1 1 293.396 2.518 20 0 CFADMM CC1(C)C[C@H](N=c2nc(C(F)(F)F)[n-]s2)C(C)(C)O1 ZINC000342939773 281336766 /nfs/dbraw/zinc/33/67/66/281336766.db2.gz QAVXPNLOAMXLMO-LURJTMIESA-N -1 1 295.330 2.737 20 0 CFADMM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc([O-])c(F)c1 ZINC000529577087 281406431 /nfs/dbraw/zinc/40/64/31/281406431.db2.gz JEUIIHYCCVMLNI-FOGDFJRCSA-N -1 1 263.312 2.697 20 0 CFADMM O=C(NCCCF)c1ccc(C(F)(F)F)cc1[O-] ZINC000537395024 281536682 /nfs/dbraw/zinc/53/66/82/281536682.db2.gz UABVITBZOPYTQV-UHFFFAOYSA-N -1 1 265.206 2.500 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1c1ccccn1 ZINC000538743441 281559405 /nfs/dbraw/zinc/55/94/05/281559405.db2.gz FCNCWEJOBZAULL-AWEZNQCLSA-N -1 1 286.306 2.904 20 0 CFADMM O=C(NCc1cccc(=O)[nH]1)c1ccc2ccccc2c1[O-] ZINC000539695552 281572353 /nfs/dbraw/zinc/57/23/53/281572353.db2.gz WLNVTKYIXWZFTL-UHFFFAOYSA-N -1 1 294.310 2.576 20 0 CFADMM CCc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)nn1 ZINC000546828854 281721944 /nfs/dbraw/zinc/72/19/44/281721944.db2.gz RUCBLBHBUDCUCA-UHFFFAOYSA-N -1 1 291.738 2.959 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCc2cccc(O)c21 ZINC000551760149 281841207 /nfs/dbraw/zinc/84/12/07/281841207.db2.gz NYQCRBUCFIONIQ-LLVKDONJSA-N -1 1 287.290 2.905 20 0 CFADMM COC1(CCSc2nc(C)c(C)c(=O)[n-]2)CCC1 ZINC000555038592 281907414 /nfs/dbraw/zinc/90/74/14/281907414.db2.gz IYEZXRPYWPNNAM-UHFFFAOYSA-N -1 1 268.382 2.850 20 0 CFADMM CCCn1ccc(CN=c2[n-]ncn2Cc2ccccc2)c1 ZINC000558725127 281994712 /nfs/dbraw/zinc/99/47/12/281994712.db2.gz KKCBXAUXDZGHMI-UHFFFAOYSA-N -1 1 295.390 2.572 20 0 CFADMM CC(C)SCC(=O)Nc1ccc([O-])c(F)c1F ZINC000560473165 282029638 /nfs/dbraw/zinc/02/96/38/282029638.db2.gz QZPMJXDJPFEZEE-UHFFFAOYSA-N -1 1 261.293 2.751 20 0 CFADMM O=c1[nH]c(CC(F)(F)F)c(O)n1-c1cccc2cc[nH]c21 ZINC000561031431 282045784 /nfs/dbraw/zinc/04/57/84/282045784.db2.gz FNUZRXQZCQJRHM-QMMMGPOBSA-N -1 1 297.236 2.545 20 0 CFADMM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ncccc1[O-] ZINC000336100956 289002548 /nfs/dbraw/zinc/00/25/48/289002548.db2.gz PDRYCSBIUTUTLU-RKDXNWHRSA-N -1 1 288.269 2.590 20 0 CFADMM COC(C)(C)CN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000404383598 290029003 /nfs/dbraw/zinc/02/90/03/290029003.db2.gz TYMZADZMBXKWSZ-UHFFFAOYSA-N -1 1 271.744 2.543 20 0 CFADMM CCCN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000563290293 290129992 /nfs/dbraw/zinc/12/99/92/290129992.db2.gz SFUWOBCIQXEWDD-LBPRGKRZSA-N -1 1 298.180 2.670 20 0 CFADMM O=c1cc(C(F)F)nc(SCCC2(O)CCC2)[n-]1 ZINC000563310039 290131296 /nfs/dbraw/zinc/13/12/96/290131296.db2.gz CTDBKUQRNNIALN-UHFFFAOYSA-N -1 1 276.308 2.517 20 0 CFADMM COc1cc2c(cc1Cl)CN(CCCCC(=O)[O-])CC2 ZINC000563638701 290166561 /nfs/dbraw/zinc/16/65/61/290166561.db2.gz VNVHFNCIJXRBPV-UHFFFAOYSA-N -1 1 297.782 2.962 20 0 CFADMM CC(C)(C)N=c1[n-]nc([C@H]2Cc3ccccc3O2)n1C1CC1 ZINC000565129439 290271080 /nfs/dbraw/zinc/27/10/80/290271080.db2.gz JTRYVAVKNODHLS-CQSZACIVSA-N -1 1 298.390 2.922 20 0 CFADMM CC(F)(F)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000565382092 290298515 /nfs/dbraw/zinc/29/85/15/290298515.db2.gz RLYQEDOHEQJKGA-UHFFFAOYSA-N -1 1 283.196 2.796 20 0 CFADMM C[C@@H]1CCCN(Cc2cc3cccnc3o2)[C@@H]1C(=O)[O-] ZINC000565769684 290323545 /nfs/dbraw/zinc/32/35/45/290323545.db2.gz OXUHUGAXRLXIDT-MFKMUULPSA-N -1 1 274.320 2.513 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](F)C1 ZINC000566399792 290378727 /nfs/dbraw/zinc/37/87/27/290378727.db2.gz FGYIKSWCDNZQMG-VIFPVBQESA-N -1 1 257.692 2.620 20 0 CFADMM O=C(N[C@@H]1CC12CCCC2)c1c[nH]c2ccccc2c1=O ZINC000566410747 290379705 /nfs/dbraw/zinc/37/97/05/290379705.db2.gz GAHCSOXCPLEQOA-CQSZACIVSA-N -1 1 282.343 2.591 20 0 CFADMM CCc1nc(SC[C@H]2CCCCO2)[n-]c(=O)c1C ZINC000567368469 290459169 /nfs/dbraw/zinc/45/91/69/290459169.db2.gz XEHADKACNMTYRZ-SNVBAGLBSA-N -1 1 268.382 2.714 20 0 CFADMM O=C(Nc1cnc(CC2CC2)nc1)c1cc(F)ccc1[O-] ZINC000567457193 290464884 /nfs/dbraw/zinc/46/48/84/290464884.db2.gz ADZSQYXCOFYOJV-UHFFFAOYSA-N -1 1 287.294 2.526 20 0 CFADMM Cc1ccc(-c2cc3[nH]cnc3cn2)cc1C(=O)[O-] ZINC001243194513 782055554 /nfs/dbraw/zinc/05/55/54/782055554.db2.gz BNRFNEJNCJLBCN-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM COCc1ccc(CSc2ncc(C)c(=O)[n-]2)cc1 ZINC000568271356 290542991 /nfs/dbraw/zinc/54/29/91/290542991.db2.gz AYHYWDROQOEBRA-UHFFFAOYSA-N -1 1 276.361 2.929 20 0 CFADMM Cc1cc(C(=O)[O-])ccc1-c1cc2[nH]cnc2cn1 ZINC001243202425 782061291 /nfs/dbraw/zinc/06/12/91/782061291.db2.gz UQPMWAYJQCFROH-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM Cc1cc(C(=O)[O-])ccc1-c1nccc2[nH]cnc21 ZINC001243202273 782061845 /nfs/dbraw/zinc/06/18/45/782061845.db2.gz UBLLROFBNWZCDW-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM Cc1cnc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000335818637 302330971 /nfs/dbraw/zinc/33/09/71/302330971.db2.gz XWOJBVRLHCFKIC-RYUDHWBXSA-N -1 1 262.353 2.746 20 0 CFADMM Cc1nc(=N[C@H](C)[C@H](c2ccccc2C)N(C)C)s[n-]1 ZINC000343750041 302547697 /nfs/dbraw/zinc/54/76/97/302547697.db2.gz AHRDXOIPQORZDK-BXUZGUMPSA-N -1 1 290.436 2.680 20 0 CFADMM NC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000335214586 303225881 /nfs/dbraw/zinc/22/58/81/303225881.db2.gz GQIQBFPYWZXXAG-HTQZYQBOSA-N -1 1 298.289 2.951 20 0 CFADMM O=C(N[C@@H]1CC2CCC1CC2)c1ccc([O-])cc1F ZINC000312070859 303829100 /nfs/dbraw/zinc/82/91/00/303829100.db2.gz HJUNRXDRKVXRIE-RPFQZYLTSA-N -1 1 263.312 2.840 20 0 CFADMM Cc1cc2c(c(-c3ccc(O)c(C(C)C)c3)n1)C(=O)[N-]C2=O ZINC001243244176 782091699 /nfs/dbraw/zinc/09/16/99/782091699.db2.gz BGFZGKMIUIUHTN-UHFFFAOYSA-N -1 1 296.326 2.770 20 0 CFADMM O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(Cl)cc1[O-] ZINC000153919687 322321145 /nfs/dbraw/zinc/32/11/45/322321145.db2.gz NMRMGGFPSCDIDO-QKCSRTOESA-N -1 1 295.766 2.733 20 0 CFADMM Cc1ccc(-c2cc(C(=O)Nc3ccncc3C)[nH]n2)o1 ZINC000170956732 322396556 /nfs/dbraw/zinc/39/65/56/322396556.db2.gz NAVDQXWHAOCTDL-UHFFFAOYSA-N -1 1 282.303 2.934 20 0 CFADMM O=C([N-]c1nncs1)c1cnc(-c2ccco2)s1 ZINC000171433917 322406694 /nfs/dbraw/zinc/40/66/94/322406694.db2.gz MHJVOXSSJOAUCE-UHFFFAOYSA-N -1 1 278.318 2.507 20 0 CFADMM CC(C)n1ncc2ccc(NC(=O)c3cncc([O-])c3)cc21 ZINC000171867956 322414879 /nfs/dbraw/zinc/41/48/79/322414879.db2.gz ZOHLXVQBWQBNMF-UHFFFAOYSA-N -1 1 296.330 2.970 20 0 CFADMM Cc1cccnc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000569534061 322479199 /nfs/dbraw/zinc/47/91/99/322479199.db2.gz XVLPRJCZMPVQPF-UHFFFAOYSA-N -1 1 294.314 2.738 20 0 CFADMM CCc1nc(S[C@@H]2CCC[C@H]2OC)[n-]c(=O)c1C ZINC000570584070 322540167 /nfs/dbraw/zinc/54/01/67/322540167.db2.gz RYYBRTTZNKVEGD-GHMZBOCLSA-N -1 1 268.382 2.713 20 0 CFADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccn(C(C)C)n1 ZINC000573005148 322640991 /nfs/dbraw/zinc/64/09/91/322640991.db2.gz DVKMSRDGNNIXTO-LLVKDONJSA-N -1 1 273.402 2.784 20 0 CFADMM O=C(c1cccc2nn[nH]c21)N1CCC[C@@H]1c1ccccc1 ZINC000189679947 324032603 /nfs/dbraw/zinc/03/26/03/324032603.db2.gz GDXXSRYXVZKFPC-OAHLLOKOSA-N -1 1 292.342 2.935 20 0 CFADMM C[C@@H]1CCC[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000191038772 324044751 /nfs/dbraw/zinc/04/47/51/324044751.db2.gz UAHKBQMAWIRPET-NEPJUHHUSA-N -1 1 299.374 2.622 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)nc1 ZINC000194569697 324091946 /nfs/dbraw/zinc/09/19/46/324091946.db2.gz RDIPVYBLBUDOKG-UHFFFAOYSA-N -1 1 298.314 2.610 20 0 CFADMM CC(C)Cc1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000349916858 324191702 /nfs/dbraw/zinc/19/17/02/324191702.db2.gz RHOKQXIMDLJUJY-UHFFFAOYSA-N -1 1 296.330 2.889 20 0 CFADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@H]3C[C@@H]3C)no2)c1 ZINC000350569854 324233794 /nfs/dbraw/zinc/23/37/94/324233794.db2.gz UFVSXCXOMQVAAL-XVKPBYJWSA-N -1 1 273.292 2.524 20 0 CFADMM CCCn1cc(-c2nc(-c3ccc([O-])cc3F)no2)cn1 ZINC000350809526 324261031 /nfs/dbraw/zinc/26/10/31/324261031.db2.gz AANRKWPMAMXPQA-UHFFFAOYSA-N -1 1 288.282 2.855 20 0 CFADMM COCc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)o1 ZINC000350814468 324261358 /nfs/dbraw/zinc/26/13/58/324261358.db2.gz PSKLQASSRFXQTP-UHFFFAOYSA-N -1 1 290.250 2.988 20 0 CFADMM CCc1nc(-c2nc(-c3ccc([O-])cc3F)no2)co1 ZINC000350818933 324263575 /nfs/dbraw/zinc/26/35/75/324263575.db2.gz OXBKSRRKMIREQS-UHFFFAOYSA-N -1 1 275.239 2.799 20 0 CFADMM Cc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)n1 ZINC000350826423 324264083 /nfs/dbraw/zinc/26/40/83/324264083.db2.gz WMGMUKFCRDFKKT-UHFFFAOYSA-N -1 1 271.251 2.952 20 0 CFADMM Cc1nnsc1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000384134910 324443461 /nfs/dbraw/zinc/44/34/61/324443461.db2.gz MCUNPTKUXXMDFC-UHFFFAOYSA-N -1 1 299.355 2.635 20 0 CFADMM O=C(N[C@H](CO)C1CCCCC1)c1ccc(Cl)cc1[O-] ZINC000386120500 324473576 /nfs/dbraw/zinc/47/35/76/324473576.db2.gz MCWVNXBUUSGQIL-CYBMUJFWSA-N -1 1 297.782 2.717 20 0 CFADMM C[C@@H]1CC[C@H](c2noc(-c3cc(F)ccc3[O-])n2)O1 ZINC000398393503 324550669 /nfs/dbraw/zinc/55/06/69/324550669.db2.gz YAQAQZTYUFLVHW-RDDDGLTNSA-N -1 1 264.256 2.821 20 0 CFADMM Cc1noc([C@@H](C)N(C)C(=O)c2cc(Cl)ccc2[O-])n1 ZINC000579729972 324975945 /nfs/dbraw/zinc/97/59/45/324975945.db2.gz SHXJIFGOGLECGP-SSDOTTSWSA-N -1 1 295.726 2.570 20 0 CFADMM Cc1ncc(CSc2ncc(C)c(=O)[n-]2)s1 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CC[C@@H]1C[C@H]1NC(=O)c1cc(Br)ccc1[O-] ZINC000227034296 333274321 /nfs/dbraw/zinc/27/43/21/333274321.db2.gz WMVUVHRQNOTRNC-GMSGAONNSA-N -1 1 284.153 2.683 20 0 CFADMM COCc1ccc(-c2ccc([O-])c(F)c2F)nc1 ZINC001243338310 782141799 /nfs/dbraw/zinc/14/17/99/782141799.db2.gz CAXMTJWQPUTHMW-UHFFFAOYSA-N -1 1 251.232 2.879 20 0 CFADMM [O-]c1ccc(-c2cccc(N3CCOCC3)n2)c(F)c1F ZINC001243339105 782144258 /nfs/dbraw/zinc/14/42/58/782144258.db2.gz KGMMLKAPHXWPRW-UHFFFAOYSA-N -1 1 292.285 2.569 20 0 CFADMM CC(=O)Nc1cccc(-c2ccc([O-])c(F)c2F)n1 ZINC001243341761 782146287 /nfs/dbraw/zinc/14/62/87/782146287.db2.gz ROLCPKVCODFSOW-UHFFFAOYSA-N -1 1 264.231 2.691 20 0 CFADMM Nc1cn2ccc(-c3ccc([O-])c(F)c3F)cc2n1 ZINC001243341620 782146356 /nfs/dbraw/zinc/14/63/56/782146356.db2.gz AQEWUNJQWZESNE-UHFFFAOYSA-N -1 1 261.231 2.567 20 0 CFADMM [O-]c1ccc(-c2cc(-c3nn[nH]n3)ccc2F)c(F)c1F ZINC001243341605 782146414 /nfs/dbraw/zinc/14/64/14/782146414.db2.gz VMHNANOSQKQJBW-UHFFFAOYSA-N -1 1 292.220 2.657 20 0 CFADMM O=C1NCc2cc(-c3ccc([O-])c(F)c3F)ccc2N1 ZINC001243342070 782147331 /nfs/dbraw/zinc/14/73/31/782147331.db2.gz BCSYKUZRMWIYKG-UHFFFAOYSA-N -1 1 276.242 2.973 20 0 CFADMM O=c1[nH]c(=O)c2cc(-c3ccc([O-])c(F)c3F)ccc2o1 ZINC001243342342 782147439 /nfs/dbraw/zinc/14/74/39/782147439.db2.gz HNROIRRYNSGMSN-UHFFFAOYSA-N -1 1 291.209 2.544 20 0 CFADMM COc1ncc(-c2ccc([O-])c(F)c2F)cc1F ZINC001243342760 782147628 /nfs/dbraw/zinc/14/76/28/782147628.db2.gz SOUJJUABFPXSMZ-UHFFFAOYSA-N -1 1 255.195 2.880 20 0 CFADMM Cc1cc(-c2ccc([O-])c(F)c2F)c2ncnn2c1 ZINC001243342740 782147714 /nfs/dbraw/zinc/14/77/14/782147714.db2.gz RUPUHNXYIZQWBO-UHFFFAOYSA-N -1 1 261.231 2.689 20 0 CFADMM CC(C)Cn1cc(-c2ccc([O-])c(F)c2F)cnc1=O ZINC001243343606 782149172 /nfs/dbraw/zinc/14/91/72/782149172.db2.gz JDEQUXTZSPHBOH-UHFFFAOYSA-N -1 1 280.274 2.550 20 0 CFADMM [O-]c1ccc(-c2cc(F)cn3ncnc23)c(F)c1F ZINC001243344630 782149525 /nfs/dbraw/zinc/14/95/25/782149525.db2.gz JKDBLAVRNYDFDM-UHFFFAOYSA-N -1 1 265.194 2.519 20 0 CFADMM NC(=O)c1nc2cc(-c3ccc([O-])c(F)c3F)ccc2o1 ZINC001243343460 782149702 /nfs/dbraw/zinc/14/97/02/782149702.db2.gz CJFQCBWQYCHCME-UHFFFAOYSA-N -1 1 290.225 2.578 20 0 CFADMM CCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000192707633 520567300 /nfs/dbraw/zinc/56/73/00/520567300.db2.gz PZWLAKCAJQRWSH-UHFFFAOYSA-N -1 1 254.355 2.566 20 0 CFADMM COc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC000174648621 534187572 /nfs/dbraw/zinc/18/75/72/534187572.db2.gz VKRFWAUGEJKVBV-UHFFFAOYSA-N -1 1 295.335 2.944 20 0 CFADMM CC(C)(C)C[C@H]1CCN(C(=O)c2cncc([O-])c2)C1 ZINC000307778535 518697020 /nfs/dbraw/zinc/69/70/20/518697020.db2.gz RKSBTJRLFBBUQY-LLVKDONJSA-N -1 1 262.353 2.686 20 0 CFADMM CC(C)(CNC(=O)c1ncccc1[O-])c1cccs1 ZINC000083601971 519265209 /nfs/dbraw/zinc/26/52/09/519265209.db2.gz ZZOCAWJEGCRNIG-UHFFFAOYSA-N -1 1 276.361 2.556 20 0 CFADMM CC(C)Cn1c(CCc2ccco2)n[n-]c1=NC(C)(C)C ZINC000361318789 519484454 /nfs/dbraw/zinc/48/44/54/519484454.db2.gz POMUJQFAGUTKSM-UHFFFAOYSA-N -1 1 290.411 2.945 20 0 CFADMM CC(C)OC(=O)c1ccc(Br)c([O-])c1 ZINC000228314640 519752160 /nfs/dbraw/zinc/75/21/60/519752160.db2.gz PDAXSYHXRWANNC-UHFFFAOYSA-N -1 1 259.099 2.720 20 0 CFADMM CC(C)[C@@H]1CN(C(=O)c2cncc([O-])c2)[C@H]1C(C)C ZINC000335001011 519804153 /nfs/dbraw/zinc/80/41/53/519804153.db2.gz YGRBXQKADCPPJO-KBPBESRZSA-N -1 1 262.353 2.540 20 0 CFADMM CCC1([N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000336297839 519845957 /nfs/dbraw/zinc/84/59/57/519845957.db2.gz UQVWFVHKACWHOT-UHFFFAOYSA-N -1 1 265.334 2.654 20 0 CFADMM Cc1cnc(C(=O)NC[C@@H]2CCc3ccccc32)c([O-])c1 ZINC000427005317 534529879 /nfs/dbraw/zinc/52/98/79/534529879.db2.gz QUWVDGRXRTZUKG-ZDUSSCGKSA-N -1 1 282.343 2.555 20 0 CFADMM COc1cc(C(=O)N2CCC(C)CC2)cc(Cl)c1[O-] ZINC000334898319 522068029 /nfs/dbraw/zinc/06/80/29/522068029.db2.gz FECORWJYJPXSEI-UHFFFAOYSA-N -1 1 283.755 2.926 20 0 CFADMM COc1cc(C(=O)N2CC[C@H]2C(C)C)cc(Cl)c1[O-] ZINC000336171141 522093191 /nfs/dbraw/zinc/09/31/91/522093191.db2.gz ISTDIGZQOMSTSD-NSHDSACASA-N -1 1 283.755 2.925 20 0 CFADMM CC[C@@H](C)OCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000151752195 522250663 /nfs/dbraw/zinc/25/06/63/522250663.db2.gz QJXMBLRZTSBVFO-MRVPVSSYSA-N -1 1 257.717 2.799 20 0 CFADMM CC[C@@H](C)[C@@H](NCc1cccc([O-])c1Cl)C(=O)OC ZINC000336904838 522313670 /nfs/dbraw/zinc/31/36/70/522313670.db2.gz WLYVSKQXUOYAJL-NOZJJQNGSA-N -1 1 285.771 2.723 20 0 CFADMM CN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H]1CCc2ccccc21 ZINC000336035979 523780738 /nfs/dbraw/zinc/78/07/38/523780738.db2.gz OKDLRYAIIBCSCE-MRXNPFEDSA-N -1 1 295.338 2.721 20 0 CFADMM CN(C(=O)c1ccc([O-])cc1F)C1CCCCC1 ZINC000226266555 523936754 /nfs/dbraw/zinc/93/67/54/523936754.db2.gz DNJIZTZKRBGGII-UHFFFAOYSA-N -1 1 251.301 2.936 20 0 CFADMM C[C@H](CCNC(=O)c1ncccc1[O-])c1ccccc1 ZINC000060942485 524192132 /nfs/dbraw/zinc/19/21/32/524192132.db2.gz BRIVMGPNCJNDSI-GFCCVEGCSA-N -1 1 270.332 2.711 20 0 CFADMM C[C@H]1CC[C@@H](N(C)C(=O)c2ccc([O-])cc2F)C1 ZINC000336157672 524361410 /nfs/dbraw/zinc/36/14/10/524361410.db2.gz WDUIMVPEIUYDKF-VHSXEESVSA-N -1 1 251.301 2.792 20 0 CFADMM C[C@@H](CCNC(=O)c1ncccc1[O-])c1ccccc1 ZINC000060942484 524496508 /nfs/dbraw/zinc/49/65/08/524496508.db2.gz BRIVMGPNCJNDSI-LBPRGKRZSA-N -1 1 270.332 2.711 20 0 CFADMM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000360385594 524595100 /nfs/dbraw/zinc/59/51/00/524595100.db2.gz SBFVUEYVYSWPNT-NXEZZACHSA-N -1 1 289.347 2.679 20 0 CFADMM C[C@H]1C[C@H](CO)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000335530333 524899952 /nfs/dbraw/zinc/89/99/52/524899952.db2.gz OPIROZXBZXNGMF-STQMWFEESA-N -1 1 299.370 2.636 20 0 CFADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1c(F)cncc1F ZINC000336163956 525330997 /nfs/dbraw/zinc/33/09/97/525330997.db2.gz DCRUURPAMUAITG-SSDOTTSWSA-N -1 1 296.248 2.696 20 0 CFADMM Cc1[nH]nc(C(=O)Nc2ccc(Cl)cc2[O-])c1C ZINC000336143612 525471276 /nfs/dbraw/zinc/47/12/76/525471276.db2.gz CVTZVTIXWHTBCK-UHFFFAOYSA-N -1 1 265.700 2.638 20 0 CFADMM C[C@@H]1N(C(=O)c2cc(F)ccc2[O-])CCC12CCOCC2 ZINC000336462346 525543707 /nfs/dbraw/zinc/54/37/07/525543707.db2.gz 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/nfs/dbraw/zinc/67/92/56/526679256.db2.gz ZAKNTQKBVWQQTQ-UHFFFAOYSA-N -1 1 261.655 2.527 20 0 CFADMM O=C(c1ccc(O)cc1[O-])N1CCc2c1c(F)ccc2F ZINC000336157784 526705474 /nfs/dbraw/zinc/70/54/74/526705474.db2.gz KRICOLUILCBKFV-UHFFFAOYSA-N -1 1 291.253 2.579 20 0 CFADMM O=C(Nc1cc(-c2ccncc2)[nH]n1)c1cc(F)ccc1[O-] ZINC000080022645 527100328 /nfs/dbraw/zinc/10/03/28/527100328.db2.gz JGZUYRGHRGMLSB-UHFFFAOYSA-N -1 1 298.277 2.569 20 0 CFADMM CC(=O)c1c(C)oc2ncnc([N-]c3nccs3)c21 ZINC000178861221 527175470 /nfs/dbraw/zinc/17/54/70/527175470.db2.gz FJRJETDWMVMVHE-UHFFFAOYSA-N -1 1 274.305 2.934 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(-n2cccn2)c1 ZINC000340331026 527214447 /nfs/dbraw/zinc/21/44/47/527214447.db2.gz RTGFGHOMXANREF-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM O=S(=O)([N-]Cc1ccc(F)cc1)c1sccc1F ZINC000338849335 527230236 /nfs/dbraw/zinc/23/02/36/527230236.db2.gz KDFMIGVEZVAITA-UHFFFAOYSA-N -1 1 289.328 2.505 20 0 CFADMM O=C([O-])[C@@H](NCc1ccc(F)cc1F)c1ccccc1 ZINC000050507937 527654960 /nfs/dbraw/zinc/65/49/60/527654960.db2.gz NRXKWXBABLHXNR-AWEZNQCLSA-N -1 1 277.270 2.880 20 0 CFADMM O=C([O-])[C@@H]1CCCCN1Cc1cc(Cl)ccc1F ZINC000165657875 527659726 /nfs/dbraw/zinc/65/97/26/527659726.db2.gz UPPWROXZKUBHMD-LBPRGKRZSA-N -1 1 271.719 2.918 20 0 CFADMM CCC[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C1CCC1 ZINC000414400548 528206535 /nfs/dbraw/zinc/20/65/35/528206535.db2.gz MPBHOJXBCICCLZ-ZDUSSCGKSA-N -1 1 299.374 2.622 20 0 CFADMM CC(C)C[C@H](CCO)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000176288950 528497252 /nfs/dbraw/zinc/49/72/52/528497252.db2.gz MCIGGCJEQGUWFZ-NSHDSACASA-N -1 1 299.798 2.820 20 0 CFADMM CC(C)n1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)cn1 ZINC000426787191 528565835 /nfs/dbraw/zinc/56/58/35/528565835.db2.gz BSBOMJFGLBNPBA-CQSZACIVSA-N -1 1 291.326 2.519 20 0 CFADMM CCCS(=O)(=O)[N-]c1n[nH]c(CC)c1-c1cccs1 ZINC000446955418 535307455 /nfs/dbraw/zinc/30/74/55/535307455.db2.gz ANOKPKYNCZQXKZ-UHFFFAOYSA-N -1 1 299.421 2.852 20 0 CFADMM CCOC1(C(=O)Nc2ccc([O-])c(F)c2F)CCCC1 ZINC000456789222 535744640 /nfs/dbraw/zinc/74/46/40/535744640.db2.gz UCPHHBFWSYRQSF-UHFFFAOYSA-N -1 1 285.290 2.958 20 0 CFADMM COC1(CC(=O)Nc2ccc([O-])c(F)c2F)CCC1 ZINC000456775730 536606038 /nfs/dbraw/zinc/60/60/38/536606038.db2.gz DFWGCFYHNTXYGX-UHFFFAOYSA-N -1 1 271.263 2.568 20 0 CFADMM O=C(C[C@H]1CC[C@H](C2CC2)O1)Nc1c([O-])cccc1F ZINC000935100619 649875619 /nfs/dbraw/zinc/87/56/19/649875619.db2.gz QHZXOEIFPHSZJL-ZWNOBZJWSA-N -1 1 279.311 2.818 20 0 CFADMM CCCCN(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000736453576 574055079 /nfs/dbraw/zinc/05/50/79/574055079.db2.gz QQJGSHGNSMADQM-UHFFFAOYSA-N -1 1 282.351 2.651 20 0 CFADMM CCCCN(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000736453576 574055081 /nfs/dbraw/zinc/05/50/81/574055081.db2.gz QQJGSHGNSMADQM-UHFFFAOYSA-N -1 1 282.351 2.651 20 0 CFADMM C[C@H](c1cccc(O)c1)N(C)Cc1occc1C(=O)[O-] ZINC000736716469 574067883 /nfs/dbraw/zinc/06/78/83/574067883.db2.gz HOYIOSDRYAYZAJ-SNVBAGLBSA-N -1 1 275.304 2.876 20 0 CFADMM C[C@H]1CCC[C@H](C)N1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000736774105 574071874 /nfs/dbraw/zinc/07/18/74/574071874.db2.gz GIYGFGYJFIUXBE-RYUDHWBXSA-N -1 1 290.363 2.586 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C)o2)c1 ZINC000744465903 574075778 /nfs/dbraw/zinc/07/57/78/574075778.db2.gz AIKBZNGBFXODPU-UHFFFAOYSA-N -1 1 288.299 2.896 20 0 CFADMM CC[C@@H](C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744536160 574079347 /nfs/dbraw/zinc/07/93/47/574079347.db2.gz GHCSJHOYPGMWKT-SNVBAGLBSA-N -1 1 264.321 2.727 20 0 CFADMM CC[C@@H](C)CN(C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736879420 574084002 /nfs/dbraw/zinc/08/40/02/574084002.db2.gz DAXNCRWAILYJLQ-SKDRFNHKSA-N -1 1 294.395 2.879 20 0 CFADMM Cc1nc(Cl)sc1C(=O)[N-]c1nc(C2CC2)no1 ZINC000754420856 574103511 /nfs/dbraw/zinc/10/35/11/574103511.db2.gz SLAJPFZWUSYKGL-UHFFFAOYSA-N -1 1 284.728 2.618 20 0 CFADMM CCN(CC(=O)Nc1cc(C(=O)[O-])ccc1C)C1CCC1 ZINC000737069687 574107726 /nfs/dbraw/zinc/10/77/26/574107726.db2.gz NXSYPDXUZBZRSM-UHFFFAOYSA-N -1 1 290.363 2.506 20 0 CFADMM O=C(OCC[C@H]1CCCCO1)c1ccc([O-])cc1F ZINC000754869121 574126264 /nfs/dbraw/zinc/12/62/64/574126264.db2.gz WYHJMWUYMZYXLR-LLVKDONJSA-N -1 1 268.284 2.647 20 0 CFADMM O=C([O-])NC[C@H]1CCCCN1Cc1ccc2ccccc2n1 ZINC000740623556 574132894 /nfs/dbraw/zinc/13/28/94/574132894.db2.gz NLCYBOKQJLHBKI-OAHLLOKOSA-N -1 1 299.374 2.857 20 0 CFADMM CN1CCC[C@@H]1C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000737517488 574145958 /nfs/dbraw/zinc/14/59/58/574145958.db2.gz AODICLQCHVDZJM-OAHLLOKOSA-N -1 1 298.342 2.571 20 0 CFADMM CC[C@H](C)c1ccc(OS(=O)(=O)c2c[n-]nc2C)cc1 ZINC000732215651 574147676 /nfs/dbraw/zinc/14/76/76/574147676.db2.gz UQUBZQWMBOSMEN-JTQLQIEISA-N -1 1 294.376 2.999 20 0 CFADMM Cc1[nH]c(C(=O)CN2CCCCC[C@H]2C)c(C)c1C(=O)[O-] ZINC000738153509 574158301 /nfs/dbraw/zinc/15/83/01/574158301.db2.gz MWUDHCJVXKFTQN-SNVBAGLBSA-N -1 1 292.379 2.777 20 0 CFADMM CSc1ccc(CNCc2ccc(C(=O)[O-])o2)cc1 ZINC000738209996 574160096 /nfs/dbraw/zinc/16/00/96/574160096.db2.gz DNJYOUDWTKTGGX-UHFFFAOYSA-N -1 1 277.345 2.990 20 0 CFADMM c1coc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000738449716 574169851 /nfs/dbraw/zinc/16/98/51/574169851.db2.gz VAHBGXRCFZSQTD-UHFFFAOYSA-N -1 1 292.302 2.620 20 0 CFADMM c1coc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000738449716 574169852 /nfs/dbraw/zinc/16/98/52/574169852.db2.gz VAHBGXRCFZSQTD-UHFFFAOYSA-N -1 1 292.302 2.620 20 0 CFADMM O=C([O-])Nc1ccc(OC(=O)c2cccc3[nH]ncc32)cc1 ZINC000738669274 574178983 /nfs/dbraw/zinc/17/89/83/574178983.db2.gz PVKYAOYIKHBOKN-UHFFFAOYSA-N -1 1 297.270 2.872 20 0 CFADMM O=C([O-])CCCCSc1nc(-c2ccccc2)n[nH]1 ZINC000738576163 574179152 /nfs/dbraw/zinc/17/91/52/574179152.db2.gz WWAFTMDBVYUTRZ-UHFFFAOYSA-N -1 1 277.349 2.819 20 0 CFADMM O=C([N-]c1ccon1)c1cc(-c2ccccc2F)on1 ZINC000755745521 574183640 /nfs/dbraw/zinc/18/36/40/574183640.db2.gz FAVFHQZSOBRZCC-UHFFFAOYSA-N -1 1 273.223 2.721 20 0 CFADMM COc1ccccc1-c1cc(C(=O)[N-]c2ccon2)no1 ZINC000755748877 574184190 /nfs/dbraw/zinc/18/41/90/574184190.db2.gz XZLHINYDKGZNHD-UHFFFAOYSA-N -1 1 285.259 2.591 20 0 CFADMM Cc1cccnc1CN[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738785706 574184463 /nfs/dbraw/zinc/18/44/63/574184463.db2.gz KPEWASODPMCBEW-AWEZNQCLSA-N -1 1 290.750 2.959 20 0 CFADMM CC(C)[C@H](CNCc1c(F)cccc1Cl)NC(=O)[O-] ZINC000738795444 574184828 /nfs/dbraw/zinc/18/48/28/574184828.db2.gz WVMBBHFACXLXMM-LBPRGKRZSA-N -1 1 288.750 2.861 20 0 CFADMM CC1=CCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000755766475 574185662 /nfs/dbraw/zinc/18/56/62/574185662.db2.gz CGSDIGZACVSARO-UHFFFAOYSA-N -1 1 287.392 2.612 20 0 CFADMM CCN(CC(C)C)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747354847 574192416 /nfs/dbraw/zinc/19/24/16/574192416.db2.gz JIRBPRRVNYERAH-UHFFFAOYSA-N -1 1 279.384 2.732 20 0 CFADMM C[C@@H](c1cccc(Cl)c1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739060742 574196016 /nfs/dbraw/zinc/19/60/16/574196016.db2.gz ZQTDLBLRAMGPEK-JOYOIKCWSA-N -1 1 268.744 2.743 20 0 CFADMM C[C@@H](c1ccccc1F)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739060399 574196312 /nfs/dbraw/zinc/19/63/12/574196312.db2.gz NNNNTBAAHKNEBC-RYUDHWBXSA-N -1 1 280.343 2.961 20 0 CFADMM C[C@@H]1CN(Cc2ccc(Cl)s2)CC[C@H]1NC(=O)[O-] ZINC000739187139 574199815 /nfs/dbraw/zinc/19/98/15/574199815.db2.gz HVMHWZHHKOYZMK-PSASIEDQSA-N -1 1 288.800 2.880 20 0 CFADMM O=C([O-])[C@@H](NCc1ccccn1)c1cccc(Cl)c1 ZINC000739503973 574215703 /nfs/dbraw/zinc/21/57/03/574215703.db2.gz FWDDXEINPFSNSG-ZDUSSCGKSA-N -1 1 276.723 2.651 20 0 CFADMM O=C([O-])[C@@H]1CCC[N@H+]1Cc1cc2ccccc2nc1Cl ZINC000739587119 574222524 /nfs/dbraw/zinc/22/25/24/574222524.db2.gz AOXJOFLUJXUGSJ-ZDUSSCGKSA-N -1 1 290.750 2.937 20 0 CFADMM O=C([O-])c1coc(CNC/C=C\c2ccccc2)c1 ZINC000756307875 574223794 /nfs/dbraw/zinc/22/37/94/574223794.db2.gz QMILSZRBLHAURC-DAXSKMNVSA-N -1 1 257.289 2.781 20 0 CFADMM Cc1cc([C@@H]2CCCN2C[C@@H]2CCCN(C(=O)[O-])C2)no1 ZINC000740079649 574234911 /nfs/dbraw/zinc/23/49/11/574234911.db2.gz ISVHYNRMJCGFDS-JSGCOSHPSA-N -1 1 293.367 2.510 20 0 CFADMM O=C(NC[C@@H](O)c1ccsc1)c1c([O-])cccc1Cl ZINC000740113772 574236255 /nfs/dbraw/zinc/23/62/55/574236255.db2.gz HBYHGOBVHMIPAE-LLVKDONJSA-N -1 1 297.763 2.571 20 0 CFADMM Cc1nc(CN[C@@]2(CNC(=O)[O-])CCCC[C@H]2C)oc1C ZINC000740222964 574243670 /nfs/dbraw/zinc/24/36/70/574243670.db2.gz FSXSPSFXKIPFNL-MEBBXXQBSA-N -1 1 295.383 2.598 20 0 CFADMM O=C([O-])C1CCN(Cn2c3ccccc3oc2=S)CC1 ZINC000740481731 574250613 /nfs/dbraw/zinc/25/06/13/574250613.db2.gz JWQKQLNJRKNKLM-UHFFFAOYSA-N -1 1 292.360 2.718 20 0 CFADMM O=C([O-])N1CC[C@H](CN2CCc3c(Cl)cccc3C2)C1 ZINC000740504197 574251476 /nfs/dbraw/zinc/25/14/76/574251476.db2.gz SYNYUNICLBZMBU-LLVKDONJSA-N -1 1 294.782 2.698 20 0 CFADMM O=C([O-])N1CCC[C@@H](C[NH2+]Cc2ccc([O-])c(Cl)c2)C1 ZINC000740513226 574252663 /nfs/dbraw/zinc/25/26/63/574252663.db2.gz UAJOBAYRJKUWJC-NSHDSACASA-N -1 1 298.770 2.525 20 0 CFADMM O=C(Nc1ccc(Cl)nc1)c1cn[nH]c1-c1ccncc1 ZINC000733805013 574256732 /nfs/dbraw/zinc/25/67/32/574256732.db2.gz ORGFOLIDHHMSHS-UHFFFAOYSA-N -1 1 299.721 2.772 20 0 CFADMM CCS[C@@H]1CCC[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000748723617 574263088 /nfs/dbraw/zinc/26/30/88/574263088.db2.gz UAVYXVHYDWUDIV-JGVFFNPUSA-N -1 1 255.305 2.729 20 0 CFADMM O=C(Nc1c([O-])cccc1F)C(F)(F)c1nccs1 ZINC000756878200 574270190 /nfs/dbraw/zinc/27/01/90/574270190.db2.gz FMGIYCHVVXBNHM-UHFFFAOYSA-N -1 1 288.250 2.718 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])C(F)(F)c1nccs1 ZINC000756877858 574270275 /nfs/dbraw/zinc/27/02/75/574270275.db2.gz BUXZRFLXJLECNU-UHFFFAOYSA-N -1 1 288.250 2.718 20 0 CFADMM O=C([N-]CCc1ccc(F)cc1F)C(F)(F)C(F)F ZINC000749388004 574292856 /nfs/dbraw/zinc/29/28/56/574292856.db2.gz OCWGHAGOLRPXPQ-UHFFFAOYSA-N -1 1 285.187 2.524 20 0 CFADMM CC(C)([N-]C(=O)C(F)(F)C(F)F)c1cccs1 ZINC000749395131 574292969 /nfs/dbraw/zinc/29/29/69/574292969.db2.gz ASUXLPSDIAFNOY-UHFFFAOYSA-N -1 1 269.263 3.000 20 0 CFADMM CC(C)[C@@H](C)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000735703633 574333490 /nfs/dbraw/zinc/33/34/90/574333490.db2.gz VTSWFOHUOKSKGU-QMMMGPOBSA-N -1 1 280.763 2.619 20 0 CFADMM CC(C)[C@@H](C)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000735703633 574333491 /nfs/dbraw/zinc/33/34/91/574333491.db2.gz VTSWFOHUOKSKGU-QMMMGPOBSA-N -1 1 280.763 2.619 20 0 CFADMM CC(C)CC(CC(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC000735761853 574334797 /nfs/dbraw/zinc/33/47/97/574334797.db2.gz QGRIYTDHDDHJFF-UHFFFAOYSA-N -1 1 289.387 2.529 20 0 CFADMM CC(C)CC(CC(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC000735761853 574334799 /nfs/dbraw/zinc/33/47/99/574334799.db2.gz QGRIYTDHDDHJFF-UHFFFAOYSA-N -1 1 289.387 2.529 20 0 CFADMM CC(C)[C@H]1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000735747742 574334828 /nfs/dbraw/zinc/33/48/28/574334828.db2.gz GTWIAVXRDAFRMP-NWDGAFQWSA-N -1 1 286.383 2.888 20 0 CFADMM CC(C)[C@H]1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000735747742 574334829 /nfs/dbraw/zinc/33/48/29/574334829.db2.gz GTWIAVXRDAFRMP-NWDGAFQWSA-N -1 1 286.383 2.888 20 0 CFADMM C/C(=C/CSc1nc(-c2ccccc2F)n[nH]1)C(=O)[O-] ZINC000736120639 574351937 /nfs/dbraw/zinc/35/19/37/574351937.db2.gz BYNQVWXEWKZDJE-VURMDHGXSA-N -1 1 293.323 2.734 20 0 CFADMM C[C@H]1CCC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000736259331 574358135 /nfs/dbraw/zinc/35/81/35/574358135.db2.gz DNDLZOCUQBRKFT-NTSWFWBYSA-N -1 1 284.776 2.577 20 0 CFADMM C[C@H]1CCC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000736259331 574358136 /nfs/dbraw/zinc/35/81/36/574358136.db2.gz DNDLZOCUQBRKFT-NTSWFWBYSA-N -1 1 284.776 2.577 20 0 CFADMM CNc1cc(C(=O)Nc2c([O-])cccc2F)cc(Cl)n1 ZINC000743416935 574363282 /nfs/dbraw/zinc/36/32/82/574363282.db2.gz UBHOJXFMJPUAMD-UHFFFAOYSA-N -1 1 295.701 2.874 20 0 CFADMM O=C(NCCNc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000743460113 574365784 /nfs/dbraw/zinc/36/57/84/574365784.db2.gz FEJRUFRTZUTDNX-UHFFFAOYSA-N -1 1 290.750 2.888 20 0 CFADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1c([O-])cccc1Cl ZINC000743482121 574366476 /nfs/dbraw/zinc/36/64/76/574366476.db2.gz NTBHIJDXXXNEEI-OTYXRUKQSA-N -1 1 285.771 2.573 20 0 CFADMM C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1NC(=O)[O-] ZINC000739191570 574374492 /nfs/dbraw/zinc/37/44/92/574374492.db2.gz POTNRXFXONWDQQ-ZWNOBZJWSA-N -1 1 282.771 2.818 20 0 CFADMM CC(C)(C)OC(=O)CCCOC(=O)c1ccc([O-])cc1F ZINC000751565404 574379103 /nfs/dbraw/zinc/37/91/03/574379103.db2.gz BLNOAXKCBKZVJS-UHFFFAOYSA-N -1 1 298.310 2.810 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CC2(C)C)c1 ZINC000751800332 574383179 /nfs/dbraw/zinc/38/31/79/574383179.db2.gz FTMUPXJXXNVBBZ-CYBMUJFWSA-N -1 1 276.332 2.727 20 0 CFADMM C[C@@]1(NC(=O)c2c([O-])cccc2Cl)CCO[C@H]1C1CC1 ZINC000753360280 574401626 /nfs/dbraw/zinc/40/16/26/574401626.db2.gz LHLCDGOQWQVEQV-DZGCQCFKSA-N -1 1 295.766 2.733 20 0 CFADMM O=C([N-][C@H](C[C@@H]1CCOC1)c1ccccc1)C(F)(F)F ZINC000753768088 574409933 /nfs/dbraw/zinc/40/99/33/574409933.db2.gz JIRMSQNVHXCFLM-CMPLNLGQSA-N -1 1 287.281 2.833 20 0 CFADMM c1cc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)nc(-c2nnn[n-]2)c1 ZINC000823757010 599056244 /nfs/dbraw/zinc/05/62/44/599056244.db2.gz JITXSIBIQPJHRI-GRYCIOLGSA-N -1 1 284.367 2.642 20 0 CFADMM c1cc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)nc(-c2nn[n-]n2)c1 ZINC000823757010 599056247 /nfs/dbraw/zinc/05/62/47/599056247.db2.gz JITXSIBIQPJHRI-GRYCIOLGSA-N -1 1 284.367 2.642 20 0 CFADMM Cc1cc2nc(-c3ccc(-c4nnn[n-]4)o3)[nH]c2cc1C ZINC000822213000 599155893 /nfs/dbraw/zinc/15/58/93/599155893.db2.gz QEZVMRBCPFUCLL-UHFFFAOYSA-N -1 1 280.291 2.620 20 0 CFADMM Cc1cc2nc(-c3ccc(-c4nn[n-]n4)o3)[nH]c2cc1C ZINC000822213000 599155895 /nfs/dbraw/zinc/15/58/95/599155895.db2.gz QEZVMRBCPFUCLL-UHFFFAOYSA-N -1 1 280.291 2.620 20 0 CFADMM O=C([O-])CCCCCNCc1ncc(C(F)(F)F)s1 ZINC000901557072 620856402 /nfs/dbraw/zinc/85/64/02/620856402.db2.gz NEPJLTTYNYRRSR-UHFFFAOYSA-N -1 1 296.314 2.897 20 0 CFADMM Cn1nc(CNCc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000819084637 597136702 /nfs/dbraw/zinc/13/67/02/597136702.db2.gz WTBUZIHOATZCIZ-UHFFFAOYSA-N -1 1 295.342 2.561 20 0 CFADMM CC[C@@H]1CCCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000820981278 607302134 /nfs/dbraw/zinc/30/21/34/607302134.db2.gz QOBIBIJORAHQIU-SSDOTTSWSA-N -1 1 298.803 2.746 20 0 CFADMM CC[C@@H]1CCCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000820981278 607302135 /nfs/dbraw/zinc/30/21/35/607302135.db2.gz QOBIBIJORAHQIU-SSDOTTSWSA-N -1 1 298.803 2.746 20 0 CFADMM C[C@@H](C(=O)[O-])N(C)Cc1cc2ccccc2nc1Cl ZINC000769756844 597473700 /nfs/dbraw/zinc/47/37/00/597473700.db2.gz XOJWXFYATSXASM-VIFPVBQESA-N -1 1 278.739 2.793 20 0 CFADMM CSc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821984655 607309233 /nfs/dbraw/zinc/30/92/33/607309233.db2.gz RCLFQGPAYSCLFK-UHFFFAOYSA-N -1 1 287.348 2.794 20 0 CFADMM CSc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821984655 607309234 /nfs/dbraw/zinc/30/92/34/607309234.db2.gz RCLFQGPAYSCLFK-UHFFFAOYSA-N -1 1 287.348 2.794 20 0 CFADMM Cc1c(F)cccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000822034796 607311805 /nfs/dbraw/zinc/31/18/05/607311805.db2.gz LLUCVPSINFLUCL-UHFFFAOYSA-N -1 1 289.339 2.988 20 0 CFADMM CC(=O)c1ccc(O)c(NC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000819804315 597701033 /nfs/dbraw/zinc/70/10/33/597701033.db2.gz DREABQRAACWCMD-UHFFFAOYSA-N -1 1 299.282 2.545 20 0 CFADMM O=C([O-])c1cccc(CN2CCC[C@H](OC(F)F)C2)c1 ZINC000821551772 597707084 /nfs/dbraw/zinc/70/70/84/597707084.db2.gz ALDRHSJMLPJKRD-LBPRGKRZSA-N -1 1 285.290 2.588 20 0 CFADMM CC(C)[C@@H](NCc1cc(-c2ccccc2)no1)C(=O)[O-] ZINC000035406474 598188313 /nfs/dbraw/zinc/18/83/13/598188313.db2.gz QHYYARHVINCZLV-CQSZACIVSA-N -1 1 274.320 2.540 20 0 CFADMM CC(C)[C@@H](NCc1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000035391368 598189097 /nfs/dbraw/zinc/18/90/97/598189097.db2.gz DZYIUZFQUFHDRG-LLVKDONJSA-N -1 1 297.223 2.581 20 0 CFADMM Cc1ccc2[nH]c(CNCc3cccc(C(=O)[O-])c3)nc2c1 ZINC000821103989 598204329 /nfs/dbraw/zinc/20/43/29/598204329.db2.gz XWQWHQONQVTOSG-UHFFFAOYSA-N -1 1 295.342 2.859 20 0 CFADMM Cc1ccc2nc(CNCc3cccc(C(=O)[O-])c3)[nH]c2c1 ZINC000821103989 598204331 /nfs/dbraw/zinc/20/43/31/598204331.db2.gz XWQWHQONQVTOSG-UHFFFAOYSA-N -1 1 295.342 2.859 20 0 CFADMM C[C@H](CC(=O)[O-])N[C@@H](c1nccs1)c1ccccc1 ZINC000820071674 598213930 /nfs/dbraw/zinc/21/39/30/598213930.db2.gz DOZZNZZAWMPEMU-ZWNOBZJWSA-N -1 1 276.361 2.685 20 0 CFADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC000095221913 599577852 /nfs/dbraw/zinc/57/78/52/599577852.db2.gz MFFKMPXGWQLWIQ-SNVBAGLBSA-N -1 1 272.356 2.642 20 0 CFADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC000095221913 599577855 /nfs/dbraw/zinc/57/78/55/599577855.db2.gz MFFKMPXGWQLWIQ-SNVBAGLBSA-N -1 1 272.356 2.642 20 0 CFADMM CCC(C)(C)COC(=O)c1sccc1-c1nn[n-]n1 ZINC000820847391 599627974 /nfs/dbraw/zinc/62/79/74/599627974.db2.gz CYPUQYIHFOXRRS-UHFFFAOYSA-N -1 1 280.353 2.521 20 0 CFADMM CN(CCOC(C)(C)C)[C@H](C(=O)[O-])c1ccccc1 ZINC000689999388 600215586 /nfs/dbraw/zinc/21/55/86/600215586.db2.gz PBYKXGNIIXAGKE-ZDUSSCGKSA-N -1 1 265.353 2.559 20 0 CFADMM CC(C)c1cnc(CN2CCCC[C@@H]2CC(=O)[O-])o1 ZINC000700773172 600639519 /nfs/dbraw/zinc/63/95/19/600639519.db2.gz WMDRDXOHDLMWJO-LLVKDONJSA-N -1 1 266.341 2.627 20 0 CFADMM Fc1cccc(Sc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826378078 607901774 /nfs/dbraw/zinc/90/17/74/607901774.db2.gz TXRCKGYTWNKIJP-UHFFFAOYSA-N -1 1 273.296 2.552 20 0 CFADMM Fc1cccc(Sc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826378078 607901775 /nfs/dbraw/zinc/90/17/75/607901775.db2.gz TXRCKGYTWNKIJP-UHFFFAOYSA-N -1 1 273.296 2.552 20 0 CFADMM CC[C@H]1C[C@H](C)CN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000829074408 600801323 /nfs/dbraw/zinc/80/13/23/600801323.db2.gz DZSCKSWOEFFMGB-UWVGGRQHSA-N -1 1 296.392 2.505 20 0 CFADMM O=C([O-])[C@@H](NCc1cccc(Cl)n1)c1ccccc1 ZINC000821541568 600996656 /nfs/dbraw/zinc/99/66/56/600996656.db2.gz PMLVJTNWYHBIMM-ZDUSSCGKSA-N -1 1 276.723 2.651 20 0 CFADMM C/C(=C/CN(C)Cc1ccc(Br)o1)C(=O)[O-] ZINC000825730478 601050221 /nfs/dbraw/zinc/05/02/21/601050221.db2.gz XEKPTUFAGQBMNX-YVMONPNESA-N -1 1 288.141 2.505 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@]12CCO[C@H]1CCCC2 ZINC000935597951 649920482 /nfs/dbraw/zinc/92/04/82/649920482.db2.gz KLPBFOPIWKWEKE-HZMBPMFUSA-N -1 1 296.754 2.728 20 0 CFADMM C[C@H](c1ncc(C(C)(C)C)o1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828425338 601515317 /nfs/dbraw/zinc/51/53/17/601515317.db2.gz YZKGLFRGKJKOSU-GMTAPVOTSA-N -1 1 280.368 2.686 20 0 CFADMM C[C@@H]1CN(Cc2cc(-c3cccs3)on2)C[C@@H]1C(=O)[O-] ZINC000111254519 601538904 /nfs/dbraw/zinc/53/89/04/601538904.db2.gz AKQJARZHIDBLNM-KOLCDFICSA-N -1 1 292.360 2.556 20 0 CFADMM C/C(=C\CN1CCC[C@H]1c1nc2ccccc2n1C)C(=O)[O-] ZINC000825740992 601568086 /nfs/dbraw/zinc/56/80/86/601568086.db2.gz GEQJRHVKSHTPSS-RZXPCSSPSA-N -1 1 299.374 2.741 20 0 CFADMM CCC(CC)(CC(=O)[O-])NCc1ncc(C(C)C)o1 ZINC000828803836 601633855 /nfs/dbraw/zinc/63/38/55/601633855.db2.gz BMSJLLCDUKIQCM-UHFFFAOYSA-N -1 1 268.357 2.921 20 0 CFADMM Cn1cc([C@@H]2CCCN2Cc2ccsc2C(=O)[O-])cn1 ZINC000380612025 601822221 /nfs/dbraw/zinc/82/22/21/601822221.db2.gz HHJAWVWVJUTMNO-LBPRGKRZSA-N -1 1 291.376 2.517 20 0 CFADMM C[C@H]1C[C@H]1c1ccc(CNCc2c[nH]c(C(=O)[O-])c2)o1 ZINC000828199859 601831399 /nfs/dbraw/zinc/83/13/99/601831399.db2.gz AORBFNIOCZVXQN-JOYOIKCWSA-N -1 1 274.320 2.719 20 0 CFADMM O=C([O-])c1cc(CNC2(c3cccc(F)c3)CC2)c[nH]1 ZINC000833296826 601834650 /nfs/dbraw/zinc/83/46/50/601834650.db2.gz YUUHYIXNBNQIIV-UHFFFAOYSA-N -1 1 274.295 2.631 20 0 CFADMM O=C([O-])CCC1CCN(Cc2cccnc2Cl)CC1 ZINC000833225871 601840351 /nfs/dbraw/zinc/84/03/51/601840351.db2.gz QNPNNHBUQAHQIJ-UHFFFAOYSA-N -1 1 282.771 2.812 20 0 CFADMM O=C([O-])c1ccc(CN2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000833312885 601956592 /nfs/dbraw/zinc/95/65/92/601956592.db2.gz JCEDWQGJYXWVNX-GFCCVEGCSA-N -1 1 291.376 2.897 20 0 CFADMM CCN(Cc1ccc(C(=O)[O-])c(F)c1)Cc1ccccn1 ZINC000233466139 601963253 /nfs/dbraw/zinc/96/32/53/601963253.db2.gz PFPGLGOQFFOMMH-UHFFFAOYSA-N -1 1 288.322 2.941 20 0 CFADMM Cc1cc(CNCc2ccc(C(=O)[O-])o2)c(C)s1 ZINC000832886890 602190185 /nfs/dbraw/zinc/19/01/85/602190185.db2.gz YRUZEWUCQLDUBE-UHFFFAOYSA-N -1 1 265.334 2.946 20 0 CFADMM C[C@@H](CCSc1ccccc1)N1CCN(C(=O)[O-])CC1 ZINC000827421842 602262296 /nfs/dbraw/zinc/26/22/96/602262296.db2.gz BLHHRBBHCURJME-ZDUSSCGKSA-N -1 1 294.420 2.853 20 0 CFADMM CCC(CC)(CNCc1c(F)cccc1F)NC(=O)[O-] ZINC000826561133 603603044 /nfs/dbraw/zinc/60/30/44/603603044.db2.gz LNZQFROGEAICJY-UHFFFAOYSA-N -1 1 286.322 2.881 20 0 CFADMM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccccc1NC(=O)[O-] ZINC000825871205 603744157 /nfs/dbraw/zinc/74/41/57/603744157.db2.gz COVITOZRYBEERQ-PHIMTYICSA-N -1 1 291.351 2.588 20 0 CFADMM C[C@H](c1ccccc1F)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825639345 603811473 /nfs/dbraw/zinc/81/14/73/603811473.db2.gz SCRPTAQQKBKSBT-MNOVXSKESA-N -1 1 266.316 2.571 20 0 CFADMM O=C([O-])N1CC(N2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000831846662 603921262 /nfs/dbraw/zinc/92/12/62/603921262.db2.gz JXIWHDXXRDMPCB-UHFFFAOYSA-N -1 1 299.374 2.710 20 0 CFADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccnc(Cl)c2)C1 ZINC000825273367 604164727 /nfs/dbraw/zinc/16/47/27/604164727.db2.gz PHCBGUQSGFWFIJ-JQWIXIFHSA-N -1 1 297.786 2.603 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cccc(Cl)n2)C1 ZINC000825264538 604204251 /nfs/dbraw/zinc/20/42/51/604204251.db2.gz LJCOGRYXFQYKRS-GHMZBOCLSA-N -1 1 297.786 2.603 20 0 CFADMM CC(C)[C@H](CN[C@@H](C)c1cccnc1Cl)NC(=O)[O-] ZINC000825483775 604332941 /nfs/dbraw/zinc/33/29/41/604332941.db2.gz AEMGGVBTRSHPFI-ONGXEEELSA-N -1 1 285.775 2.678 20 0 CFADMM Cc1ccc2ccccc2c1CN1CCN(C(=O)[O-])CC1 ZINC000832959302 604334351 /nfs/dbraw/zinc/33/43/51/604334351.db2.gz GHRHKSFEIFAFMX-UHFFFAOYSA-N -1 1 284.359 2.944 20 0 CFADMM C[C@@H]1CC[C@H](C)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824908570 608187141 /nfs/dbraw/zinc/18/71/41/608187141.db2.gz PPRPKCRDRAQKJU-NKWVEPMBSA-N -1 1 298.803 2.601 20 0 CFADMM C[C@@H]1CC[C@H](C)CN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824908570 608187142 /nfs/dbraw/zinc/18/71/42/608187142.db2.gz PPRPKCRDRAQKJU-NKWVEPMBSA-N -1 1 298.803 2.601 20 0 CFADMM C[C@@H](Oc1ccc(CN(C)Cc2ccco2)cc1)C(=O)[O-] ZINC000833537009 604519300 /nfs/dbraw/zinc/51/93/00/604519300.db2.gz FWYRQNTUDRVZQY-GFCCVEGCSA-N -1 1 289.331 2.764 20 0 CFADMM C[C@@H]1C[C@@H]1c1ccc(CN2CCSC[C@H]2CC(=O)[O-])o1 ZINC000252106216 604659672 /nfs/dbraw/zinc/65/96/72/604659672.db2.gz IYUOZQDTFHLUER-WZRBSPASSA-N -1 1 295.404 2.795 20 0 CFADMM O=C([O-])c1cc(CN2CCSC3(CCCCC3)C2)c[nH]1 ZINC000833778555 604663724 /nfs/dbraw/zinc/66/37/24/604663724.db2.gz BJWYUHJENPPEMA-UHFFFAOYSA-N -1 1 294.420 2.965 20 0 CFADMM CC1=C(C(=O)[O-])C[C@@H](CN(C)[C@@H](C)c2ccccc2F)O1 ZINC000833578772 604825206 /nfs/dbraw/zinc/82/52/06/604825206.db2.gz WTNJHJDSEOPEBM-JQWIXIFHSA-N -1 1 293.338 2.966 20 0 CFADMM CCN(CC1CC1)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000833654647 605045495 /nfs/dbraw/zinc/04/54/95/605045495.db2.gz YPIKNVFCJYYXAU-LLVKDONJSA-N -1 1 292.379 2.633 20 0 CFADMM CC(C)C[C@H]1COCCN1Cc1ccccc1CC(=O)[O-] ZINC000833484589 605068971 /nfs/dbraw/zinc/06/89/71/605068971.db2.gz XDQOFHDFTFROEU-INIZCTEOSA-N -1 1 291.391 2.561 20 0 CFADMM COc1ccc(C)cc1CNCc1ccoc1C(=O)[O-] ZINC000833730589 605274237 /nfs/dbraw/zinc/27/42/37/605274237.db2.gz IHWHXSLJDBUVEK-UHFFFAOYSA-N -1 1 275.304 2.585 20 0 CFADMM Cc1nc([C@@H](C)NC[C@H]2CCCCN2C(=O)[O-])cs1 ZINC000830708741 605479575 /nfs/dbraw/zinc/47/95/75/605479575.db2.gz CCMXFIYYFCPYDL-MWLCHTKSSA-N -1 1 283.397 2.635 20 0 CFADMM Cc1cc(CN[C@H](C)C[C@H]2CCCCCN2C(=O)[O-])no1 ZINC000830041349 605495366 /nfs/dbraw/zinc/49/53/66/605495366.db2.gz KQJYMRJFENNVAR-BXUZGUMPSA-N -1 1 295.383 2.774 20 0 CFADMM O=C([O-])NC[C@H]1CCCN(Cc2cscc2Cl)C1 ZINC000834213454 605553340 /nfs/dbraw/zinc/55/33/40/605553340.db2.gz BMQANAXHXQXBCX-SECBINFHSA-N -1 1 288.800 2.881 20 0 CFADMM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1ccccn1 ZINC000834263658 605566046 /nfs/dbraw/zinc/56/60/46/605566046.db2.gz VKWMGEJTBXWGHP-OAHLLOKOSA-N -1 1 283.331 2.949 20 0 CFADMM Cc1ccoc1CN1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000833911718 605611395 /nfs/dbraw/zinc/61/13/95/605611395.db2.gz XEAHFZLANMUGGQ-UHFFFAOYSA-N -1 1 292.379 2.942 20 0 CFADMM O=C([O-])NCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000834239907 605763826 /nfs/dbraw/zinc/76/38/26/605763826.db2.gz QOUUYPWPZCLOMI-HNNXBMFYSA-N -1 1 287.363 2.963 20 0 CFADMM O=C([O-])N[C@@H]1C[C@@H](NCc2ccco2)c2ccccc21 ZINC000834158377 605787706 /nfs/dbraw/zinc/78/77/06/605787706.db2.gz NHSXUSOKMFKUOP-ZIAGYGMSSA-N -1 1 272.304 2.823 20 0 CFADMM O=C([O-])N[C@H]1CCC[C@@H]1NCc1c(F)cccc1Cl ZINC000834176036 605982555 /nfs/dbraw/zinc/98/25/55/605982555.db2.gz QYYQNXRUBAHPRV-RYUDHWBXSA-N -1 1 286.734 2.757 20 0 CFADMM CC(C)Oc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000820174677 606132068 /nfs/dbraw/zinc/13/20/68/606132068.db2.gz VRKQDTKZRGWTCW-UHFFFAOYSA-N -1 1 299.334 2.859 20 0 CFADMM CC(C)Oc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000820174677 606132069 /nfs/dbraw/zinc/13/20/69/606132069.db2.gz VRKQDTKZRGWTCW-UHFFFAOYSA-N -1 1 299.334 2.859 20 0 CFADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H](C)c1ccccc1 ZINC000820461382 606141612 /nfs/dbraw/zinc/14/16/12/606141612.db2.gz IYWFFZAUUPIMSZ-VXGBXAGGSA-N -1 1 294.362 2.866 20 0 CFADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H](C)c1ccccc1 ZINC000820461382 606141614 /nfs/dbraw/zinc/14/16/14/606141614.db2.gz IYWFFZAUUPIMSZ-VXGBXAGGSA-N -1 1 294.362 2.866 20 0 CFADMM CCC(C)(C)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820847965 606180208 /nfs/dbraw/zinc/18/02/08/606180208.db2.gz OABGJJHJRYDQHU-UHFFFAOYSA-N -1 1 280.353 2.521 20 0 CFADMM CCC(C)(C)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820847965 606180210 /nfs/dbraw/zinc/18/02/10/606180210.db2.gz OABGJJHJRYDQHU-UHFFFAOYSA-N -1 1 280.353 2.521 20 0 CFADMM Clc1ccc(SC2CCCC2)nc1-c1nnn[n-]1 ZINC000822578463 606438703 /nfs/dbraw/zinc/43/87/03/606438703.db2.gz JDOPJDDPWJXLFA-UHFFFAOYSA-N -1 1 281.772 2.950 20 0 CFADMM Clc1ccc(SC2CCCC2)nc1-c1nn[n-]n1 ZINC000822578463 606438704 /nfs/dbraw/zinc/43/87/04/606438704.db2.gz JDOPJDDPWJXLFA-UHFFFAOYSA-N -1 1 281.772 2.950 20 0 CFADMM C[C@@H]1CCCCN1c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820705531 606439747 /nfs/dbraw/zinc/43/97/47/606439747.db2.gz USGMCIWTSWKXFO-LLVKDONJSA-N -1 1 294.362 2.794 20 0 CFADMM C[C@@H]1CCCCN1c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820705531 606439748 /nfs/dbraw/zinc/43/97/48/606439748.db2.gz USGMCIWTSWKXFO-LLVKDONJSA-N -1 1 294.362 2.794 20 0 CFADMM CCN(c1ccc(Cl)c(-c2nnn[n-]2)n1)C1CCCC1 ZINC000821230318 606455084 /nfs/dbraw/zinc/45/50/84/606455084.db2.gz GVCCBCCQTSOGQO-UHFFFAOYSA-N -1 1 292.774 2.684 20 0 CFADMM CCN(c1ccc(Cl)c(-c2nn[n-]n2)n1)C1CCCC1 ZINC000821230318 606455085 /nfs/dbraw/zinc/45/50/85/606455085.db2.gz GVCCBCCQTSOGQO-UHFFFAOYSA-N -1 1 292.774 2.684 20 0 CFADMM Cc1ccc([C@@H](C)N(C)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000822229147 606455761 /nfs/dbraw/zinc/45/57/61/606455761.db2.gz NVNBXBWTAJTZBN-GFCCVEGCSA-N -1 1 294.362 2.768 20 0 CFADMM Cc1ccc([C@@H](C)N(C)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000822229147 606455762 /nfs/dbraw/zinc/45/57/62/606455762.db2.gz NVNBXBWTAJTZBN-GFCCVEGCSA-N -1 1 294.362 2.768 20 0 CFADMM CCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821486392 606487444 /nfs/dbraw/zinc/48/74/44/606487444.db2.gz FGXBLDPIOAJAKT-UHFFFAOYSA-N -1 1 299.359 2.743 20 0 CFADMM CCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821486392 606487445 /nfs/dbraw/zinc/48/74/45/606487445.db2.gz FGXBLDPIOAJAKT-UHFFFAOYSA-N -1 1 299.359 2.743 20 0 CFADMM CSCc1cccc(Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826229005 607899251 /nfs/dbraw/zinc/89/92/51/607899251.db2.gz KMJNFBKZUNPKKT-UHFFFAOYSA-N -1 1 298.375 2.868 20 0 CFADMM CSCc1cccc(Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826229005 607899252 /nfs/dbraw/zinc/89/92/52/607899252.db2.gz KMJNFBKZUNPKKT-UHFFFAOYSA-N -1 1 298.375 2.868 20 0 CFADMM CCC[C@@H]1[C@H](C)CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000825252111 607901309 /nfs/dbraw/zinc/90/13/09/607901309.db2.gz GEQCNUQKBVXZAS-DGCLKSJQSA-N -1 1 286.383 2.667 20 0 CFADMM CCC[C@@H]1[C@H](C)CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000825252111 607901310 /nfs/dbraw/zinc/90/13/10/607901310.db2.gz GEQCNUQKBVXZAS-DGCLKSJQSA-N -1 1 286.383 2.667 20 0 CFADMM CCC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000825242715 608389155 /nfs/dbraw/zinc/38/91/55/608389155.db2.gz ZFYQGMTZBWNBML-GFCCVEGCSA-N -1 1 295.350 2.610 20 0 CFADMM CCC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000825242715 608389157 /nfs/dbraw/zinc/38/91/57/608389157.db2.gz ZFYQGMTZBWNBML-GFCCVEGCSA-N -1 1 295.350 2.610 20 0 CFADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1ccc(F)c(C)c1 ZINC000826267147 608542159 /nfs/dbraw/zinc/54/21/59/608542159.db2.gz UJDHPGHHKSCBJE-UHFFFAOYSA-N -1 1 298.325 2.630 20 0 CFADMM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)c2ccccc21 ZINC000824984858 609173292 /nfs/dbraw/zinc/17/32/92/609173292.db2.gz OPGDMNRZBOTMHD-SNVBAGLBSA-N -1 1 281.319 2.583 20 0 CFADMM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)c2ccccc21 ZINC000824984858 609173294 /nfs/dbraw/zinc/17/32/94/609173294.db2.gz OPGDMNRZBOTMHD-SNVBAGLBSA-N -1 1 281.319 2.583 20 0 CFADMM Cc1ccc2c(c1)N(Cc1ccc(-c3nnn[n-]3)o1)CCC2 ZINC000826294607 609174855 /nfs/dbraw/zinc/17/48/55/609174855.db2.gz WRQJRDHYIDAKPJ-UHFFFAOYSA-N -1 1 295.346 2.721 20 0 CFADMM Cc1ccc2c(c1)N(Cc1ccc(-c3nn[n-]n3)o1)CCC2 ZINC000826294607 609174856 /nfs/dbraw/zinc/17/48/56/609174856.db2.gz WRQJRDHYIDAKPJ-UHFFFAOYSA-N -1 1 295.346 2.721 20 0 CFADMM Clc1nsc(NC23CCC(CC2)C3)c1-c1nnn[n-]1 ZINC000826353986 609597054 /nfs/dbraw/zinc/59/70/54/609597054.db2.gz LPNLXHVNKZNICP-UHFFFAOYSA-N -1 1 296.787 2.721 20 0 CFADMM Clc1nsc(NC23CCC(CC2)C3)c1-c1nn[n-]n1 ZINC000826353986 609597056 /nfs/dbraw/zinc/59/70/56/609597056.db2.gz LPNLXHVNKZNICP-UHFFFAOYSA-N -1 1 296.787 2.721 20 0 CFADMM O=C([O-])CN(CC1CC1)c1ccnc2cc(F)ccc21 ZINC000900971297 620734853 /nfs/dbraw/zinc/73/48/53/620734853.db2.gz WDUKHZSWKBIWFP-UHFFFAOYSA-N -1 1 274.295 2.675 20 0 CFADMM O=C([O-])[C@@H]1CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000901490609 620834421 /nfs/dbraw/zinc/83/44/21/620834421.db2.gz OQTYWBBDIGZYNF-SSDOTTSWSA-N -1 1 279.283 2.673 20 0 CFADMM COC1([C@@H](C)NC(=O)c2c([O-])cccc2Cl)CCC1 ZINC000840532468 617757207 /nfs/dbraw/zinc/75/72/07/617757207.db2.gz KIXIYJAHNBUCDT-SECBINFHSA-N -1 1 283.755 2.733 20 0 CFADMM COCc1nc(N[C@H](C)c2cccc(OC)c2)cc(=O)[n-]1 ZINC000891917664 617825707 /nfs/dbraw/zinc/82/57/07/617825707.db2.gz KGABEZLMXXCBLI-SNVBAGLBSA-N -1 1 289.335 2.510 20 0 CFADMM COCc1nc(N[C@H](C)c2ccc(C)s2)cc(=O)[n-]1 ZINC000891963562 617881635 /nfs/dbraw/zinc/88/16/35/617881635.db2.gz IWRINPNIQWHRRE-SECBINFHSA-N -1 1 279.365 2.872 20 0 CFADMM CO[C@]1(C(=O)Nc2ccc([O-])c(Cl)c2)CCSC1 ZINC000901162225 620759833 /nfs/dbraw/zinc/75/98/33/620759833.db2.gz HLUHBOFZMXGRNX-GFCCVEGCSA-N -1 1 287.768 2.506 20 0 CFADMM Cc1nonc1C(=O)[N-]c1csc(-c2ccccc2)n1 ZINC000804822481 617900125 /nfs/dbraw/zinc/90/01/25/617900125.db2.gz UGCYLCUSSOWYHO-UHFFFAOYSA-N -1 1 286.316 2.754 20 0 CFADMM CC1(C)C(C)(C)C1(C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000891165859 618018993 /nfs/dbraw/zinc/01/89/93/618018993.db2.gz RWLILSILOGUHBJ-UHFFFAOYSA-N -1 1 289.379 2.614 20 0 CFADMM CC(C)(C)c1coc(CNC(=O)c2ccc([O-])cc2F)n1 ZINC000889557510 618115647 /nfs/dbraw/zinc/11/56/47/618115647.db2.gz BRXRMDJAAJIQIZ-UHFFFAOYSA-N -1 1 292.310 2.747 20 0 CFADMM Cc1noc(C)c1CN(C)C(=O)c1c([O-])cccc1Cl ZINC000057308201 618119539 /nfs/dbraw/zinc/11/95/39/618119539.db2.gz GDVVERAOCPLYES-UHFFFAOYSA-N -1 1 294.738 2.923 20 0 CFADMM CSc1nsc([N-]C(=O)c2c(C)noc2C2CC2)n1 ZINC000161698931 618156444 /nfs/dbraw/zinc/15/64/44/618156444.db2.gz UGIRXKNYDWCFDR-UHFFFAOYSA-N -1 1 296.377 2.686 20 0 CFADMM O=C(NOC1CCCC1)c1c([O-])cnc2c(F)cccc21 ZINC000901328529 620785702 /nfs/dbraw/zinc/78/57/02/620785702.db2.gz FLVPUKLQPOAHAX-UHFFFAOYSA-N -1 1 290.294 2.684 20 0 CFADMM Cc1c(C[NH2+]Cc2c(O)ccc(Cl)c2F)cnn1C ZINC000191490656 618265765 /nfs/dbraw/zinc/26/57/65/618265765.db2.gz BBOQMRUCYLVKAK-UHFFFAOYSA-N -1 1 283.734 2.516 20 0 CFADMM Cc1cscc1CNCc1ccoc1C(=O)[O-] ZINC000235817118 618445451 /nfs/dbraw/zinc/44/54/51/618445451.db2.gz YOHOCVYZFWFUKC-UHFFFAOYSA-N -1 1 251.307 2.638 20 0 CFADMM CC1=CCN(C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC000927784051 618472128 /nfs/dbraw/zinc/47/21/28/618472128.db2.gz GXLTWQWRYJWETQ-UHFFFAOYSA-N -1 1 296.317 2.575 20 0 CFADMM Cc1cccc2[nH]c(CN3CCC[C@@H]3C(=O)[O-])cc21 ZINC000901451916 620817348 /nfs/dbraw/zinc/81/73/48/620817348.db2.gz BJDAPXXOSDUHLR-CQSZACIVSA-N -1 1 258.321 2.525 20 0 CFADMM COCc1nc(N2C[C@H](c3ccccc3)C[C@H]2C)cc(=O)[n-]1 ZINC000892551553 618629542 /nfs/dbraw/zinc/62/95/42/618629542.db2.gz HKERWZVLYMKGMX-TZMCWYRMSA-N -1 1 299.374 2.711 20 0 CFADMM CC(C)n1c(CNC(=O)C[C@H](C)C2CC2)n[n-]c1=S ZINC000066639969 618633059 /nfs/dbraw/zinc/63/30/59/618633059.db2.gz MVMQDTKHJXHNGT-VIFPVBQESA-N -1 1 282.413 2.574 20 0 CFADMM COCc1nc(NCc2ccc(C(F)F)cc2)cc(=O)[n-]1 ZINC000893197688 618878486 /nfs/dbraw/zinc/87/84/86/618878486.db2.gz JPMLNZRBLIZKFB-UHFFFAOYSA-N -1 1 295.289 2.878 20 0 CFADMM COc1cccc([C@H](C)C(=O)[N-]OCCC(F)(F)F)c1 ZINC000162753339 618942774 /nfs/dbraw/zinc/94/27/74/618942774.db2.gz QLNKLECWOLGUDZ-VIFPVBQESA-N -1 1 291.269 2.799 20 0 CFADMM COC(=O)c1c[n-]c(SCc2cccc(Cl)n2)n1 ZINC000187599822 619114848 /nfs/dbraw/zinc/11/48/48/619114848.db2.gz LYKLWQWTYIAMGC-UHFFFAOYSA-N -1 1 283.740 2.537 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@@H]2C2CCCC2)c([O-])c1 ZINC000889405805 619181163 /nfs/dbraw/zinc/18/11/63/619181163.db2.gz YBIYANNUHSGXSV-GFCCVEGCSA-N -1 1 260.337 2.500 20 0 CFADMM C/C=C/C[C@@H]1CCCN(c2cc(=O)[n-]c(COC)n2)C1 ZINC000894829779 619475872 /nfs/dbraw/zinc/47/58/72/619475872.db2.gz ARDAQMWORVEZFE-AAOUONPWSA-N -1 1 277.368 2.511 20 0 CFADMM C[C@@H]1CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000881482026 619507987 /nfs/dbraw/zinc/50/79/87/619507987.db2.gz KWXYBPFPVHNWNV-SSDOTTSWSA-N -1 1 259.227 2.645 20 0 CFADMM O=c1nc(NC[C@@H]2CCCC3(CCC3)O2)cc(Cl)[n-]1 ZINC000896170246 619685584 /nfs/dbraw/zinc/68/55/84/619685584.db2.gz NSSWGSZOSLLAQL-VIFPVBQESA-N -1 1 283.759 2.739 20 0 CFADMM C[C@@H]1CO[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000896223179 619693729 /nfs/dbraw/zinc/69/37/29/619693729.db2.gz FASZQBLGFWCCLZ-WRWORJQWSA-N -1 1 264.256 2.679 20 0 CFADMM CC1CC(NC(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896825563 619831698 /nfs/dbraw/zinc/83/16/98/619831698.db2.gz LXHXUCYQYHDDAO-UHFFFAOYSA-N -1 1 271.316 2.779 20 0 CFADMM CC1(C)CCc2c([n-]n([C@@H]3CCSC3)c2=O)C1 ZINC000871960441 620075869 /nfs/dbraw/zinc/07/58/69/620075869.db2.gz YKWPEXGCRBGQKO-ZJUUUORDSA-N -1 1 252.383 2.516 20 0 CFADMM CCCc1nc(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)cs1 ZINC000263344694 620135928 /nfs/dbraw/zinc/13/59/28/620135928.db2.gz OGPSUSYJSOAJFX-QWRGUYRKSA-N -1 1 282.409 2.638 20 0 CFADMM Cc1cc(F)c(C[N@H+](C)C[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000263526957 620154296 /nfs/dbraw/zinc/15/42/96/620154296.db2.gz ULYPKBPXZBGVLU-SECBINFHSA-N -1 1 273.735 2.940 20 0 CFADMM Cc1cc(F)c(CN(C)C[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000263526957 620154298 /nfs/dbraw/zinc/15/42/98/620154298.db2.gz ULYPKBPXZBGVLU-SECBINFHSA-N -1 1 273.735 2.940 20 0 CFADMM Cc1nc(S[C@H]2CCSC2)[n-]c(=O)c1C1CC1 ZINC000865373498 620242260 /nfs/dbraw/zinc/24/22/60/620242260.db2.gz WXGSEZBQYWOPOQ-VIFPVBQESA-N -1 1 268.407 2.966 20 0 CFADMM O=C(NCCCCF)c1ccc2ccc(O)cc2c1[O-] ZINC000897809658 620288486 /nfs/dbraw/zinc/28/84/86/620288486.db2.gz XLFVSQJLPJRSPM-UHFFFAOYSA-N -1 1 277.295 2.731 20 0 CFADMM CCC1(C(=O)Nc2cc(C(=O)OC(C)(C)C)[nH]n2)CCC1 ZINC000898096327 620337644 /nfs/dbraw/zinc/33/76/44/620337644.db2.gz WWUVLMQMUNOBPT-UHFFFAOYSA-N -1 1 293.367 2.884 20 0 CFADMM O=C(c1c(F)ccc([O-])c1F)N1CCC=C(Cl)C1 ZINC000898200409 620353765 /nfs/dbraw/zinc/35/37/65/620353765.db2.gz WRRZGLQAPZMJQF-UHFFFAOYSA-N -1 1 273.666 2.639 20 0 CFADMM Cc1[n-]n(-c2nc(F)ccc2Cl)c(=O)c1C(C)C ZINC000899352922 620548024 /nfs/dbraw/zinc/54/80/24/620548024.db2.gz HBALEXXTRWFYOZ-JTQLQIEISA-N -1 1 269.707 2.869 20 0 CFADMM CCCc1c(C)[n-]n(C2C[C@@H](C)O[C@H](C)C2)c1=O ZINC000899359968 620551931 /nfs/dbraw/zinc/55/19/31/620551931.db2.gz HXLQRIONNXFBGA-BREBYQMCSA-N -1 1 252.358 2.577 20 0 CFADMM CCc1[n-]n(-c2ccc(Cl)cc2F)c(=O)c1F ZINC000899361259 620552735 /nfs/dbraw/zinc/55/27/35/620552735.db2.gz WLSAAVFNTFKKPY-JTQLQIEISA-N -1 1 258.655 2.930 20 0 CFADMM Cc1[n-]n(-c2cc(F)ccc2F)c(=O)c1C1CC1 ZINC000899362405 620553244 /nfs/dbraw/zinc/55/32/44/620553244.db2.gz SJHDHPQQBFAFNB-GFCCVEGCSA-N -1 1 250.248 2.714 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3cc(F)ccc3F)c(=O)c21 ZINC000899362416 620553255 /nfs/dbraw/zinc/55/32/55/620553255.db2.gz SPELBHRRFYINAL-MADCSZMMSA-N -1 1 250.248 2.714 20 0 CFADMM O=C([O-])Cc1ccccc1CNCc1cnn(C2CCC2)c1 ZINC000900028653 620626088 /nfs/dbraw/zinc/62/60/88/620626088.db2.gz ZMHMEOFDTDZEIS-UHFFFAOYSA-N -1 1 299.374 2.525 20 0 CFADMM CCc1onc(C)c1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000900033059 620626124 /nfs/dbraw/zinc/62/61/24/620626124.db2.gz LNOIJFCTJHHKOB-LLVKDONJSA-N -1 1 294.376 2.913 20 0 CFADMM CCO[C@@H](C)Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000901586072 620862744 /nfs/dbraw/zinc/86/27/44/620862744.db2.gz FBPNJHNKIIBXRU-MRVPVSSYSA-N -1 1 254.355 2.843 20 0 CFADMM Cc1nc(SCC(=O)[C@@H]2C[C@H]2C)[n-]c(=O)c1C1CC1 ZINC000901588709 620863538 /nfs/dbraw/zinc/86/35/38/620863538.db2.gz UQMSXWVLFDAFTP-GMSGAONNSA-N -1 1 278.377 2.685 20 0 CFADMM CC(C)CN(CC(=O)[O-])Cc1cnc(-c2ccco2)s1 ZINC000901590677 620864421 /nfs/dbraw/zinc/86/44/21/620864421.db2.gz PLZPNKNPXXSXTR-UHFFFAOYSA-N -1 1 294.376 2.946 20 0 CFADMM CC(C)(O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901618078 620874142 /nfs/dbraw/zinc/87/41/42/620874142.db2.gz CKLIHYAXXPCNJL-UHFFFAOYSA-N -1 1 276.361 2.712 20 0 CFADMM CC(C)[C@H](O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901615546 620874259 /nfs/dbraw/zinc/87/42/59/620874259.db2.gz GKEBMFRUQBPZCE-CYBMUJFWSA-N -1 1 290.388 2.958 20 0 CFADMM Cc1cc(CN[C@H](CCC(=O)[O-])c2ccccc2)on1 ZINC000901647537 620880790 /nfs/dbraw/zinc/88/07/90/620880790.db2.gz MPWWBXLHIFVHLX-CQSZACIVSA-N -1 1 274.320 2.679 20 0 CFADMM Cc1sccc1CNCc1ccc(C(=O)[O-])o1 ZINC000901665280 620886211 /nfs/dbraw/zinc/88/62/11/620886211.db2.gz ZRFIEKLXLUYEJN-UHFFFAOYSA-N -1 1 251.307 2.638 20 0 CFADMM CC[C@@H](C)C[C@H](NCc1cc2cnccc2o1)C(=O)[O-] ZINC000901672753 620889535 /nfs/dbraw/zinc/88/95/35/620889535.db2.gz GEGXWAVOYYOTLW-MFKMUULPSA-N -1 1 276.336 2.807 20 0 CFADMM O=C([O-])C1=CC[C@@H](NCc2c(Cl)cncc2Cl)C1 ZINC000901730573 620902542 /nfs/dbraw/zinc/90/25/42/620902542.db2.gz IYDHZVBJIRGXOL-MRVPVSSYSA-N -1 1 287.146 2.651 20 0 CFADMM CCCC[C@@H](NCc1ncc(C(F)(F)F)s1)C(=O)[O-] ZINC000901709890 620903906 /nfs/dbraw/zinc/90/39/06/620903906.db2.gz CTWKASGXTHAFBQ-SSDOTTSWSA-N -1 1 296.314 2.895 20 0 CFADMM Cc1cc(CN2CC3(CCC3)[C@](F)(C(=O)[O-])C2)ccc1F ZINC000901914270 620934993 /nfs/dbraw/zinc/93/49/93/620934993.db2.gz GQZZKDXQDHNZRJ-MRXNPFEDSA-N -1 1 295.329 2.913 20 0 CFADMM Cc1ccc(F)cc1CN1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000901915497 620935220 /nfs/dbraw/zinc/93/52/20/620935220.db2.gz OAOCFKAEMOFALK-MRXNPFEDSA-N -1 1 295.329 2.913 20 0 CFADMM COC[C@@H](CC(C)C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000901913075 620938764 /nfs/dbraw/zinc/93/87/64/620938764.db2.gz VRWGGYLLRRDLBX-NXEZZACHSA-N -1 1 286.397 2.553 20 0 CFADMM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1cncs1 ZINC000902047522 620963475 /nfs/dbraw/zinc/96/34/75/620963475.db2.gz SQZCIGCEEUNFSQ-OCCSQVGLSA-N -1 1 294.420 2.999 20 0 CFADMM C[C@H]1CCCC[C@H]1OCCNCc1cc(C(=O)[O-])co1 ZINC000902123165 620983238 /nfs/dbraw/zinc/98/32/38/620983238.db2.gz SRYXSLVBBMSXRT-SMDDNHRTSA-N -1 1 281.352 2.663 20 0 CFADMM CCCN(Cc1cc(C(=O)[O-])no1)Cc1ccc(F)cc1 ZINC000902132345 620985224 /nfs/dbraw/zinc/98/52/24/620985224.db2.gz OTBUHAWKTZFYPD-UHFFFAOYSA-N -1 1 292.310 2.924 20 0 CFADMM Cc1ccc2c(c1)CC[C@H]2NCc1cccc(C(=O)[O-])n1 ZINC000902173994 620993599 /nfs/dbraw/zinc/99/35/99/620993599.db2.gz LBSFMQVVDFLKOE-OAHLLOKOSA-N -1 1 282.343 2.865 20 0 CFADMM Cc1noc([C@H](C)N[C@H]2CCC[C@H](CCCC(=O)[O-])C2)n1 ZINC000902200763 620997022 /nfs/dbraw/zinc/99/70/22/620997022.db2.gz PLQLJSVAAXDPMK-UHTWSYAYSA-N -1 1 295.383 2.842 20 0 CFADMM CCn1nc(C)c(CNCc2csc(C(=O)[O-])c2)c1C ZINC000902221678 621000461 /nfs/dbraw/zinc/00/04/61/621000461.db2.gz HZPAXZJJDFDMLZ-UHFFFAOYSA-N -1 1 293.392 2.569 20 0 CFADMM Cc1cccc2c1CCN(Cc1cccc(C(=O)[O-])n1)C2 ZINC000902229165 621002563 /nfs/dbraw/zinc/00/25/63/621002563.db2.gz XVEHIYPEWXYNDP-UHFFFAOYSA-N -1 1 282.343 2.647 20 0 CFADMM CCC[C@@]1(C)CCCN(Cc2cc(C(=O)[O-])no2)C1 ZINC000902280777 621013171 /nfs/dbraw/zinc/01/31/71/621013171.db2.gz FEICSNCLURNGQO-AWEZNQCLSA-N -1 1 266.341 2.775 20 0 CFADMM C[C@@H]1C[C@@H](NCc2ccoc2C(=O)[O-])c2ccccc2O1 ZINC000902460377 621096151 /nfs/dbraw/zinc/09/61/51/621096151.db2.gz YRWRBTJGQJMSIZ-ZWNOBZJWSA-N -1 1 287.315 2.980 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000927313513 621121727 /nfs/dbraw/zinc/12/17/27/621121727.db2.gz LEUZLIIBASUHIR-KBXCAEBGSA-N -1 1 297.329 2.945 20 0 CFADMM Cc1ccc(F)c(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)c1F ZINC000903407912 621363239 /nfs/dbraw/zinc/36/32/39/621363239.db2.gz APFRIZJEPUHBQS-MNOVXSKESA-N -1 1 283.318 2.816 20 0 CFADMM Cc1ccc(F)c(CN2CCC(C)(C(=O)[O-])CC2)c1F ZINC000903408987 621364023 /nfs/dbraw/zinc/36/40/23/621364023.db2.gz PJDCTEXXHIMAES-UHFFFAOYSA-N -1 1 283.318 2.960 20 0 CFADMM CCCN(CC(=O)[O-])Cc1c(F)ccc(C)c1F ZINC000903401744 621368501 /nfs/dbraw/zinc/36/85/01/621368501.db2.gz AEIJHWZZXHLBRZ-UHFFFAOYSA-N -1 1 257.280 2.570 20 0 CFADMM CCc1ccc2ccccc2c1CN1CCO[C@H](C(=O)[O-])C1 ZINC000903401292 621368587 /nfs/dbraw/zinc/36/85/87/621368587.db2.gz ILTOESLBHKTTEO-KRWDZBQOSA-N -1 1 299.370 2.688 20 0 CFADMM C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000903627092 621408719 /nfs/dbraw/zinc/40/87/19/621408719.db2.gz CVLGLXNNTCMUJS-KQXIARHKSA-N -1 1 292.379 2.686 20 0 CFADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])s2)CCC1(F)F ZINC000903688836 621415626 /nfs/dbraw/zinc/41/56/26/621415626.db2.gz BNRGJVHAHBKKRB-MRVPVSSYSA-N -1 1 275.320 2.923 20 0 CFADMM O=C([O-])c1ccc(CNc2ccc3c(n2)CCC3)s1 ZINC000903690650 621418809 /nfs/dbraw/zinc/41/88/09/621418809.db2.gz MKVWPTUBXOIVJM-UHFFFAOYSA-N -1 1 274.345 2.942 20 0 CFADMM CCN(Cc1c(F)cccc1F)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903889526 621460828 /nfs/dbraw/zinc/46/08/28/621460828.db2.gz NJPJAPQYONLNMQ-VHSXEESVSA-N -1 1 269.291 2.507 20 0 CFADMM Cc1cc(C)nc(CN2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000903902340 621468036 /nfs/dbraw/zinc/46/80/36/621468036.db2.gz YOZZAFGFYPQEFR-UHFFFAOYSA-N -1 1 296.370 2.955 20 0 CFADMM O=C([O-])c1cncc(CN2CC3CC2(c2ccccc2)C3)c1 ZINC000903910463 621471084 /nfs/dbraw/zinc/47/10/84/621471084.db2.gz VLQNRARBOHJASY-UHFFFAOYSA-N -1 1 294.354 2.901 20 0 CFADMM CC(C)(C)c1nc(CN2C3CCC2(C(=O)[O-])CC3)co1 ZINC000903911973 621471473 /nfs/dbraw/zinc/47/14/73/621471473.db2.gz UKDUQPPJOIWOKB-UHFFFAOYSA-N -1 1 278.352 2.554 20 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CCc1nocc1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000905012166 621681102 /nfs/dbraw/zinc/68/11/02/621681102.db2.gz DXSMIRPNLDEQKH-DZGCQCFKSA-N -1 1 286.331 2.640 20 0 CFADMM COc1cnc(C=Cc2scnc2C2CC2)[n-]c1=O ZINC000905076429 621699042 /nfs/dbraw/zinc/69/90/42/621699042.db2.gz GYGKPAXXFHQAMZ-PLNGDYQASA-N -1 1 275.333 2.695 20 0 CFADMM Cc1cc(C)c(CNCc2ccc(C(=O)[O-])cn2)c(C)c1 ZINC000905718286 621827880 /nfs/dbraw/zinc/82/78/80/621827880.db2.gz DUKMKPCISLSMNM-UHFFFAOYSA-N -1 1 284.359 2.995 20 0 CFADMM Cc1ccoc1CN1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000905736938 621840298 /nfs/dbraw/zinc/84/02/98/621840298.db2.gz FBDVKFQKDHEEDI-UHFFFAOYSA-N -1 1 291.269 2.817 20 0 CFADMM CCC[C@@H]1CCCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907357856 622116116 /nfs/dbraw/zinc/11/61/16/622116116.db2.gz GXEJPFCSGXLTKD-GFCCVEGCSA-N -1 1 289.379 2.854 20 0 CFADMM CCCC[C@@H](C)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908306731 622216368 /nfs/dbraw/zinc/21/63/68/622216368.db2.gz VFMBPWZAEDZVNT-SNVBAGLBSA-N -1 1 277.368 2.710 20 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CFADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909973349 622378343 /nfs/dbraw/zinc/37/83/43/622378343.db2.gz XIIWFTBWAYGLLM-XAVMHZPKSA-N -1 1 267.275 2.901 20 0 CFADMM CCn1nc(C)c(C(=O)Nc2cc([O-])c(F)cc2F)c1C ZINC000909977827 622378985 /nfs/dbraw/zinc/37/89/85/622378985.db2.gz QIVGGFCBUAEDAH-UHFFFAOYSA-N -1 1 295.289 2.756 20 0 CFADMM CC1(OCC(=O)Nc2cc([O-])c(F)cc2F)CCC1 ZINC000909984562 622379848 /nfs/dbraw/zinc/37/98/48/622379848.db2.gz POQOSHBIJRFJKS-UHFFFAOYSA-N -1 1 271.263 2.568 20 0 CFADMM CC(C)c1cc(C(=O)Nc2cc([O-])c(F)cc2F)n(C)n1 ZINC000909983112 622381540 /nfs/dbraw/zinc/38/15/40/622381540.db2.gz QOQDEWVVOCVYIY-UHFFFAOYSA-N -1 1 295.289 2.780 20 0 CFADMM CC(C)(C)n1ccc(C(=O)Nc2cc([O-])c(F)cc2F)n1 ZINC000909988475 622381982 /nfs/dbraw/zinc/38/19/82/622381982.db2.gz LZIOLBCOFPVNGV-UHFFFAOYSA-N -1 1 295.289 2.874 20 0 CFADMM CN1CCC[C@@H]1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC000910241641 622416862 /nfs/dbraw/zinc/41/68/62/622416862.db2.gz AMWCPQMWIUPRBF-OAHLLOKOSA-N -1 1 298.342 2.571 20 0 CFADMM C[C@@]1(C(=O)[O-])CCCN(c2ccncc2C(F)(F)F)C1 ZINC000910312829 622429043 /nfs/dbraw/zinc/42/90/43/622429043.db2.gz OVHXPQSUWJDPNV-GFCCVEGCSA-N -1 1 288.269 2.792 20 0 CFADMM O=C(CC[C@@H]1CCCO1)Nc1cc(F)cc(F)c1[O-] ZINC000910980357 622494040 /nfs/dbraw/zinc/49/40/40/622494040.db2.gz AJQSUQPBYMWOQE-VIFPVBQESA-N -1 1 271.263 2.568 20 0 CFADMM Cn1nc(C(=O)Nc2cc(F)cc(F)c2[O-])cc1C1CC1 ZINC000910982469 622494629 /nfs/dbraw/zinc/49/46/29/622494629.db2.gz PDYYAHVLRYJWIR-UHFFFAOYSA-N -1 1 293.273 2.534 20 0 CFADMM CC[C@H]1C[C@@H](C(=O)Nc2cc(F)cc(F)c2[O-])CCO1 ZINC000910984814 622495179 /nfs/dbraw/zinc/49/51/79/622495179.db2.gz YWGKEPKYRSLPQB-WPRPVWTQSA-N -1 1 285.290 2.814 20 0 CFADMM CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984270 622495187 /nfs/dbraw/zinc/49/51/87/622495187.db2.gz VTLSWIRKVBPWPR-DTWKUNHWSA-N -1 1 255.264 2.901 20 0 CFADMM CO[C@H]1CCC[C@H](C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910985726 622495294 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ZINC000912126625 622637081 /nfs/dbraw/zinc/63/70/81/622637081.db2.gz RENNJHFEHSFPQP-NEPJUHHUSA-N -1 1 297.782 2.811 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C=Cc1ccnc2ccccc12 ZINC000820403242 622663660 /nfs/dbraw/zinc/66/36/60/622663660.db2.gz SMPZWLDEYUIAMO-VOTSOKGWSA-N -1 1 294.314 2.624 20 0 CFADMM COc1cccc(S([O-])=CC(=O)O[C@@H]2CC[C@H](C)C2)c1 ZINC000820526536 622695419 /nfs/dbraw/zinc/69/54/19/622695419.db2.gz HQTSJIAIZULNNO-SZZPBAKOSA-N -1 1 296.388 2.535 20 0 CFADMM O=C(c1cncc([O-])c1)N1CC=CC12CCCCC2 ZINC000912474794 622724663 /nfs/dbraw/zinc/72/46/63/622724663.db2.gz TWJVOMHWNXANNM-UHFFFAOYSA-N -1 1 258.321 2.502 20 0 CFADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC=CC12CCCCC2 ZINC000912475362 622724820 /nfs/dbraw/zinc/72/48/20/622724820.db2.gz VVJWEBWFXWMBND-UHFFFAOYSA-N -1 1 299.374 2.775 20 0 CFADMM O=C(c1c([O-])cnc2c(F)cccc21)N1CC[C@@H]2C[C@@H]2C1 ZINC000912678940 622757811 /nfs/dbraw/zinc/75/78/11/622757811.db2.gz RAUDLLKCYCALIE-NXEZZACHSA-N -1 1 286.306 2.562 20 0 CFADMM COc1cnc(C=Cc2ccc(-n3cccn3)cc2)[n-]c1=O ZINC000821007734 622818049 /nfs/dbraw/zinc/81/80/49/622818049.db2.gz KRVPYOWTWXSZNA-YVMONPNESA-N -1 1 294.314 2.547 20 0 CFADMM COc1cnc(C=Cc2ccc(F)cc2F)[n-]c1=O ZINC000821007742 622818698 /nfs/dbraw/zinc/81/86/98/622818698.db2.gz KZMWTEAUGSPCIW-HWKANZROSA-N -1 1 264.231 2.639 20 0 CFADMM COc1cnc(C=Cc2cnn(-c3ccccc3)c2)[n-]c1=O ZINC000821012628 622820226 /nfs/dbraw/zinc/82/02/26/622820226.db2.gz LUCJCRDQEGNAQU-FPLPWBNLSA-N -1 1 294.314 2.547 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1C(F)(F)F ZINC000913020698 622826854 /nfs/dbraw/zinc/82/68/54/622826854.db2.gz XCSJFOGCCKXMJG-SNVBAGLBSA-N -1 1 277.217 2.698 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H]1C1CC1 ZINC000834319079 625603465 /nfs/dbraw/zinc/60/34/65/625603465.db2.gz PPTBGYHDPQBUGZ-SNVBAGLBSA-N -1 1 251.713 2.670 20 0 CFADMM O=C(Nc1ccncc1[O-])c1cc(Cl)ncc1Cl ZINC000156959241 622976221 /nfs/dbraw/zinc/97/62/21/622976221.db2.gz ZIFJULCPAUAUMK-UHFFFAOYSA-N -1 1 284.102 2.741 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@]12CCO[C@H]1CCCC2 ZINC000821981033 623015292 /nfs/dbraw/zinc/01/52/92/623015292.db2.gz WHAUVZYZZNFNRS-NHYWBVRUSA-N -1 1 297.301 2.958 20 0 CFADMM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)Nc1cc([O-])c(F)cc1F ZINC000822543202 623123336 /nfs/dbraw/zinc/12/33/36/623123336.db2.gz PVTBVCLVWDRRNH-XPTSAGLGSA-N -1 1 297.301 2.957 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000822972107 623212498 /nfs/dbraw/zinc/21/24/98/623212498.db2.gz NWDBYUYXROTIJE-MUMPTFFPSA-N -1 1 279.286 2.901 20 0 CFADMM C[C@H](N(C)C(=O)c1ccc2n[n-]c(=S)n2c1)C(C)(C)C ZINC000825421241 623690666 /nfs/dbraw/zinc/69/06/66/623690666.db2.gz NTCVUGGMNGUBOZ-VIFPVBQESA-N -1 1 292.408 2.525 20 0 CFADMM CC(C)n1cc(CN(C)Cc2ccc(C(=O)[O-])cc2)cn1 ZINC000232771797 623700590 /nfs/dbraw/zinc/70/05/90/623700590.db2.gz FCELDFAQVACRRP-UHFFFAOYSA-N -1 1 287.363 2.794 20 0 CFADMM CCC[C@@H](C)CCNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000914365422 623773344 /nfs/dbraw/zinc/77/33/44/623773344.db2.gz 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CC1=NO[C@H](CSc2nc(C)c(C3CC3)c(=O)[n-]2)C1 ZINC000918464014 624437485 /nfs/dbraw/zinc/43/74/85/624437485.db2.gz VQATYQDSQBGUTL-JTQLQIEISA-N -1 1 279.365 2.625 20 0 CFADMM Cc1ncc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)o1 ZINC000918463148 624437654 /nfs/dbraw/zinc/43/76/54/624437654.db2.gz ODQITJNSGDORHT-UHFFFAOYSA-N -1 1 277.349 2.957 20 0 CFADMM CN(C)c1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000154776192 624457302 /nfs/dbraw/zinc/45/73/02/624457302.db2.gz XCECVCYPRJZUTE-UHFFFAOYSA-N -1 1 274.295 2.850 20 0 CFADMM C[C@H](CNC(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000920464146 624726374 /nfs/dbraw/zinc/72/63/74/624726374.db2.gz KSRRWADCVBFAAN-MRVPVSSYSA-N -1 1 253.729 2.822 20 0 CFADMM CSCC[C@@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC000830563252 624779674 /nfs/dbraw/zinc/77/96/74/624779674.db2.gz GMXMHZYCBKKTFN-SSDOTTSWSA-N -1 1 299.870 2.821 20 0 CFADMM COC(C)(C)[C@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000921421897 624877797 /nfs/dbraw/zinc/87/77/97/624877797.db2.gz MQRAHKKMEYGMMO-JTQLQIEISA-N -1 1 297.376 2.525 20 0 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279.361 2.900 20 0 CFADMM CC(C)OC(=O)CCCNC(=O)c1c([O-])cccc1Cl ZINC000765813603 627159371 /nfs/dbraw/zinc/15/93/71/627159371.db2.gz UCXLPNFNBPOXII-UHFFFAOYSA-N -1 1 299.754 2.507 20 0 CFADMM CCOc1ccc(CCC(=O)[N-]OCC(F)(F)F)cc1 ZINC000766785540 627220505 /nfs/dbraw/zinc/22/05/05/627220505.db2.gz SJSXHTZFIVBKTE-UHFFFAOYSA-N -1 1 291.269 2.628 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1scnc1Cl ZINC000768258323 627329040 /nfs/dbraw/zinc/32/90/40/627329040.db2.gz OLGVHJFIJCQAHQ-UHFFFAOYSA-N -1 1 272.688 2.894 20 0 CFADMM CO[C@@]1(C)C[C@H](NC(=O)c2c([O-])cccc2Cl)C1(C)C ZINC000769933545 627488819 /nfs/dbraw/zinc/48/88/19/627488819.db2.gz DARXSCNNTFRNFN-NHYWBVRUSA-N -1 1 297.782 2.979 20 0 CFADMM CC[C@@]1(C)COCCN1C(=O)c1c([O-])cccc1Cl ZINC000771375660 627599245 /nfs/dbraw/zinc/59/92/45/627599245.db2.gz SGOGABCYZXARMR-AWEZNQCLSA-N -1 1 283.755 2.687 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2C[C@@H]2C(C)C)c1 ZINC000772511636 627717076 /nfs/dbraw/zinc/71/70/76/627717076.db2.gz 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/nfs/dbraw/zinc/98/24/51/627982451.db2.gz WQXRPSMFJFNVEL-RAMOOHJPSA-N -1 1 293.285 2.511 20 0 CFADMM O=C([N-]OCC(F)F)C1(Cc2cccc(F)c2)CCC1 ZINC000775464745 628028430 /nfs/dbraw/zinc/02/84/30/628028430.db2.gz PZSHPFCMCIAQCT-UHFFFAOYSA-N -1 1 287.281 2.851 20 0 CFADMM CO[C@@H]1CCC[C@@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000775593955 628044264 /nfs/dbraw/zinc/04/42/64/628044264.db2.gz TYKKNYNHWMDXMF-BXKDBHETSA-N -1 1 283.755 2.591 20 0 CFADMM O=C(C[C@@H]1OC(=O)c2ccccc21)[N-]OC1CCCCC1 ZINC000777960684 628267708 /nfs/dbraw/zinc/26/77/08/628267708.db2.gz HXHIQDUZJIMDFR-AWEZNQCLSA-N -1 1 289.331 2.669 20 0 CFADMM O=C(OCCCc1ccncc1)c1ccc([O-])cc1F ZINC000778324976 628297126 /nfs/dbraw/zinc/29/71/26/628297126.db2.gz FVFVBQCEDJDMMR-UHFFFAOYSA-N -1 1 275.279 2.716 20 0 CFADMM C[C@H](OC(=O)c1cn[n-]n1)c1cccc(Cl)c1F ZINC000805608582 628309247 /nfs/dbraw/zinc/30/92/47/628309247.db2.gz GPJFMBCKXDLGKB-LURJTMIESA-N -1 1 269.663 2.515 20 0 CFADMM Cc1ccc([C@@H](C)NC(=O)c2ncc(C)cc2[O-])s1 ZINC000778566561 628316135 /nfs/dbraw/zinc/31/61/35/628316135.db2.gz LTKSFKCOVBIDQN-SNVBAGLBSA-N -1 1 276.361 2.957 20 0 CFADMM C[C@](CO)(NC(=O)c1ccc([O-])c(F)c1)C1CCCCC1 ZINC000781026260 628513876 /nfs/dbraw/zinc/51/38/76/628513876.db2.gz OMQJXSXKFQUDRX-MRXNPFEDSA-N -1 1 295.354 2.592 20 0 CFADMM O=C(/C=C/c1ccc(O)cc1)Nc1c([O-])cccc1F ZINC000781099038 628521575 /nfs/dbraw/zinc/52/15/75/628521575.db2.gz VXVBCMGJQXMMAQ-RMKNXTFCSA-N -1 1 273.263 2.889 20 0 CFADMM CO[C@@H](C)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000782326108 628628561 /nfs/dbraw/zinc/62/85/61/628628561.db2.gz DKHZKDLISXZYLC-LURJTMIESA-N -1 1 279.119 2.891 20 0 CFADMM O=C(C=C1CCCC1)Nc1nc(Br)ccc1[O-] ZINC000783903799 628754612 /nfs/dbraw/zinc/75/46/12/628754612.db2.gz ATXKFMQVHNCNPH-UHFFFAOYSA-N -1 1 297.152 2.989 20 0 CFADMM CC(C)/C=C/C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000785069297 628864138 /nfs/dbraw/zinc/86/41/38/628864138.db2.gz IDMKSGGKPRCBRM-ZZXKWVIFSA-N -1 1 288.299 2.754 20 0 CFADMM O=C(OCc1ccc(F)cn1)c1c([O-])cc(F)cc1F ZINC000787671060 629025246 /nfs/dbraw/zinc/02/52/46/629025246.db2.gz ICSSXVHQLDRFLF-UHFFFAOYSA-N -1 1 283.205 2.562 20 0 CFADMM O=C(OC/C=C/Cl)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787956971 629044138 /nfs/dbraw/zinc/04/41/38/629044138.db2.gz WTCPGSZOPHMDOV-LZCJLJQNSA-N -1 1 296.685 2.626 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccnc(C)c2)c1 ZINC000789026587 629118266 /nfs/dbraw/zinc/11/82/66/629118266.db2.gz LXAMHRGRPDDNLD-UHFFFAOYSA-N -1 1 299.326 2.698 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CC12CCC2 ZINC000790047026 629205061 /nfs/dbraw/zinc/20/50/61/629205061.db2.gz AFJJWBNLKCPNQI-SSDOTTSWSA-N -1 1 252.701 2.569 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1Cc2ccccc21 ZINC000790050828 629205536 /nfs/dbraw/zinc/20/55/36/629205536.db2.gz KPTBPKKGKWGXJA-JTQLQIEISA-N -1 1 274.707 2.719 20 0 CFADMM C[C@@H](CC(=O)Nc1nc(Cl)ccc1[O-])n1cccc1 ZINC000790048195 629205646 /nfs/dbraw/zinc/20/56/46/629205646.db2.gz RELXNHGNFBITLW-VIFPVBQESA-N -1 1 279.727 2.832 20 0 CFADMM CC(C)[C@@H]1C[C@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047813 629205664 /nfs/dbraw/zinc/20/56/64/629205664.db2.gz PDBMUTIQNRUJJC-JGVFFNPUSA-N -1 1 254.717 2.671 20 0 CFADMM CSC1(CNC(=O)c2c([O-])cccc2Cl)CC1 ZINC000790078922 629208661 /nfs/dbraw/zinc/20/86/61/629208661.db2.gz XMEPQIMKKAFSKG-UHFFFAOYSA-N -1 1 271.769 2.671 20 0 CFADMM CCC(F)(F)C(=O)[N-][C@@H](C)c1c(F)cncc1F ZINC000854447740 635308442 /nfs/dbraw/zinc/30/84/42/635308442.db2.gz MLHPHNHWQZJUHJ-LURJTMIESA-N -1 1 264.222 2.582 20 0 CFADMM C[C@H](O)C[C@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000791157004 629290652 /nfs/dbraw/zinc/29/06/52/629290652.db2.gz GBWKIOONOBTZME-WDEREUQCSA-N -1 1 297.782 2.811 20 0 CFADMM Cc1ccnc(COC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000791353586 629304220 /nfs/dbraw/zinc/30/42/20/629304220.db2.gz VCSAEZURWCJGTR-UHFFFAOYSA-N -1 1 279.242 2.731 20 0 CFADMM O=C(CCC(F)F)Nc1nc(Br)ccc1[O-] ZINC000793941059 629605361 /nfs/dbraw/zinc/60/53/61/629605361.db2.gz JLAZHSQICNOPQZ-UHFFFAOYSA-N -1 1 295.083 2.534 20 0 CFADMM O=c1cc(CN2CC[C@H]3C[C@H]32)c2cc(Cl)c([O-])cc2o1 ZINC000794560615 629661643 /nfs/dbraw/zinc/66/16/43/629661643.db2.gz CHHGMPYGIULGPK-QPUJVOFHSA-N -1 1 291.734 2.746 20 0 CFADMM CC[C@H](C)CO[N-]C(=O)[C@@H](C)c1cccc(OC)c1 ZINC000794872398 629698152 /nfs/dbraw/zinc/69/81/52/629698152.db2.gz USEBXZJXKHCJIU-RYUDHWBXSA-N -1 1 265.353 2.893 20 0 CFADMM CC(F)(F)C(=O)[N-][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000808465468 629836602 /nfs/dbraw/zinc/83/66/02/629836602.db2.gz RUECNAZHMIWRDI-SECBINFHSA-N -1 1 297.223 2.510 20 0 CFADMM CCC(C)(C)CCOC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000796366989 629909148 /nfs/dbraw/zinc/90/91/48/629909148.db2.gz WKXMQFGXTZSKEH-UHFFFAOYSA-N -1 1 267.325 2.784 20 0 CFADMM COC(=O)c1ccc(C(=O)Oc2ccccc2Cl)[n-]1 ZINC000796713146 629954312 /nfs/dbraw/zinc/95/43/12/629954312.db2.gz QCKUWIAYJFTPCJ-UHFFFAOYSA-N -1 1 279.679 2.674 20 0 CFADMM COC(=O)c1ccc(C(=O)Oc2ccc(SC)cc2)[n-]1 ZINC000796732791 629957216 /nfs/dbraw/zinc/95/72/16/629957216.db2.gz OLHJITMACWLQQF-UHFFFAOYSA-N -1 1 291.328 2.742 20 0 CFADMM COC(=O)c1ccc(C(=O)OC[C@@H]2CC=CC[C@@H]2C)[n-]1 ZINC000796799951 629969279 /nfs/dbraw/zinc/96/92/79/629969279.db2.gz DNCVLQHNJXHEQL-QWRGUYRKSA-N -1 1 277.320 2.560 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@H]2C[C@H](C)C[C@H](C)C2)[n-]1 ZINC000796911798 629988322 /nfs/dbraw/zinc/98/83/22/629988322.db2.gz QEFDRBOVHKQOEH-URLYPYJESA-N -1 1 279.336 2.783 20 0 CFADMM COC(=O)c1ccc(C(=O)OC2C[C@@H](C)C[C@H](C)C2)[n-]1 ZINC000796911800 629988465 /nfs/dbraw/zinc/98/84/65/629988465.db2.gz QEFDRBOVHKQOEH-UWVGGRQHSA-N -1 1 279.336 2.783 20 0 CFADMM COC(=O)c1ccc(C(=O)OCc2ccc(C)cc2C)[n-]1 ZINC000797095865 630015930 /nfs/dbraw/zinc/01/59/30/630015930.db2.gz AYUAIVDEWVUZOF-UHFFFAOYSA-N -1 1 287.315 2.775 20 0 CFADMM COC(=O)c1ccc(C(=O)OC2CCC(C)(C)CC2)[n-]1 ZINC000797106757 630018756 /nfs/dbraw/zinc/01/87/56/630018756.db2.gz OIESCWWVUDHTNP-UHFFFAOYSA-N -1 1 279.336 2.927 20 0 CFADMM C[C@@H]1C[C@H](NC(=O)c2c([O-])cccc2Cl)CS1 ZINC000839830997 630094076 /nfs/dbraw/zinc/09/40/76/630094076.db2.gz PVAULIUGTSTLMF-SFYZADRCSA-N -1 1 271.769 2.669 20 0 CFADMM C[C@H](CO)N(CC1CCC1)C(=O)c1c([O-])cccc1Cl ZINC000797753878 630099842 /nfs/dbraw/zinc/09/98/42/630099842.db2.gz WMOBMXBAMWTHOQ-SNVBAGLBSA-N -1 1 297.782 2.669 20 0 CFADMM O=C(Nc1ccc(Cl)nc1)c1c(F)ccc([O-])c1F ZINC000798157044 630156857 /nfs/dbraw/zinc/15/68/57/630156857.db2.gz QGVMRSAGCFQRRU-UHFFFAOYSA-N -1 1 284.649 2.971 20 0 CFADMM Cc1cc(Cl)ncc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000798175833 630160338 /nfs/dbraw/zinc/16/03/38/630160338.db2.gz SWGGHYHCUBFRRH-UHFFFAOYSA-N -1 1 290.706 2.570 20 0 CFADMM COCOc1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000798250723 630174008 /nfs/dbraw/zinc/17/40/08/630174008.db2.gz RUWFFIACIUOLRB-UHFFFAOYSA-N -1 1 291.278 2.766 20 0 CFADMM O=C(Nc1ccc(O)cc1)c1c(F)ccc([O-])c1F ZINC000798299831 630178769 /nfs/dbraw/zinc/17/87/69/630178769.db2.gz OCFIGAVNCQRYHF-UHFFFAOYSA-N -1 1 265.215 2.628 20 0 CFADMM O=C(COc1ccsc1)Nc1nc(Cl)ccc1[O-] ZINC000800548168 630395424 /nfs/dbraw/zinc/39/54/24/630395424.db2.gz GQBLULPCAFCYLK-UHFFFAOYSA-N -1 1 284.724 2.520 20 0 CFADMM O=C(Nc1nc2ccsc2s1)c1cnc(S)[n-]1 ZINC000800692285 630401609 /nfs/dbraw/zinc/40/16/09/630401609.db2.gz PZVJUAUNODNDKX-UHFFFAOYSA-N -1 1 282.375 2.622 20 0 CFADMM CCCOC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801372793 630442750 /nfs/dbraw/zinc/44/27/50/630442750.db2.gz LFAVGFFSHAIFAA-UHFFFAOYSA-N -1 1 280.711 2.798 20 0 CFADMM CCCCOC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000801362217 630442826 /nfs/dbraw/zinc/44/28/26/630442826.db2.gz OKSHHFAYGQBQOS-UHFFFAOYSA-N -1 1 290.319 2.543 20 0 CFADMM Cc1ccc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(Cl)n1 ZINC000852729221 634816692 /nfs/dbraw/zinc/81/66/92/634816692.db2.gz ANTOYMCEGCNXSN-CABZTGNLSA-N -1 1 282.771 2.586 20 0 CFADMM CC(C)[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ncon1 ZINC000803215169 630590453 /nfs/dbraw/zinc/59/04/53/630590453.db2.gz WSVLTIAMVARVKF-LLVKDONJSA-N -1 1 295.726 2.556 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@H]1c1cc[nH]n1 ZINC000803247372 630594941 /nfs/dbraw/zinc/59/49/41/630594941.db2.gz FMQUNZIXDFCUGP-LLVKDONJSA-N -1 1 291.738 2.746 20 0 CFADMM Cc1ncsc1CCOC(=O)c1c([O-])cc(F)cc1F ZINC000803321885 630601567 /nfs/dbraw/zinc/60/15/67/630601567.db2.gz RFNASOJDAPXXBH-UHFFFAOYSA-N -1 1 299.298 2.835 20 0 CFADMM Cc1oc(C(C)C)nc1C(=O)[N-]c1nc(C2CC2)no1 ZINC000806872536 630843145 /nfs/dbraw/zinc/84/31/45/630843145.db2.gz QKFYPCYEKRJEDJ-UHFFFAOYSA-N -1 1 276.296 2.619 20 0 CFADMM O=C(COCC1CCCC1)Nc1nc(Cl)ccc1[O-] ZINC000836786071 630882575 /nfs/dbraw/zinc/88/25/75/630882575.db2.gz QKELTHQQZSMQMO-UHFFFAOYSA-N -1 1 284.743 2.586 20 0 CFADMM CC(C)Cc1ccc([C@H](C)C(=O)[N-]OC(C)(C)CO)cc1 ZINC000836804924 630887909 /nfs/dbraw/zinc/88/79/09/630887909.db2.gz NFKJUIZZFKSIBF-ZDUSSCGKSA-N -1 1 293.407 2.807 20 0 CFADMM O=C([N-][C@@H]1CCCC1(F)F)C(F)(F)c1nccs1 ZINC000807855753 630914892 /nfs/dbraw/zinc/91/48/92/630914892.db2.gz PZEYPAVCUWFVKK-ZCFIWIBFSA-N -1 1 282.262 2.539 20 0 CFADMM C[C@@H]1C[C@H](NC(=O)c2c([O-])cccc2Cl)c2nccn21 ZINC000836954485 630923989 /nfs/dbraw/zinc/92/39/89/630923989.db2.gz LNLJMGDDEGINTF-SCZZXKLOSA-N -1 1 291.738 2.678 20 0 CFADMM C[C@H](O[N-]C(=O)CC(C)(C)C)C(=O)N(C)C1CCCCC1 ZINC000842059783 631518343 /nfs/dbraw/zinc/51/83/43/631518343.db2.gz DBDWKUCORXDQGZ-LBPRGKRZSA-N -1 1 298.427 2.650 20 0 CFADMM COCC1(COC(=O)c2ccc([O-])cc2F)CCC1 ZINC000812591428 631738327 /nfs/dbraw/zinc/73/83/27/631738327.db2.gz DJTKUWJTEJFMTO-UHFFFAOYSA-N -1 1 268.284 2.505 20 0 CFADMM Cc1cc(CN2CCC(C)(C(=O)[O-])CC2)cc(Cl)n1 ZINC000843042072 631810759 /nfs/dbraw/zinc/81/07/59/631810759.db2.gz ZCDJLKKTVBQNNK-UHFFFAOYSA-N -1 1 282.771 2.730 20 0 CFADMM CCS[C@H](C)c1noc(-c2ccc(N)cc2[O-])n1 ZINC000843192881 631895401 /nfs/dbraw/zinc/89/54/01/631895401.db2.gz ZHJNNDRTMMJTOD-SSDOTTSWSA-N -1 1 265.338 2.839 20 0 CFADMM COc1ccc2c(c1)CCCN2C(=O)c1ccccc1[O-] ZINC000843785281 632055815 /nfs/dbraw/zinc/05/58/15/632055815.db2.gz OCHSHPZPYVAFJG-UHFFFAOYSA-N -1 1 283.327 2.994 20 0 CFADMM COC/C(C)=C\C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000845855066 632583437 /nfs/dbraw/zinc/58/34/37/632583437.db2.gz SJIJEYYYTJNHHL-YVMONPNESA-N -1 1 255.701 2.577 20 0 CFADMM C[C@H](C(=O)[N-]OC[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000845996240 632609726 /nfs/dbraw/zinc/60/97/26/632609726.db2.gz NGIFQWICKNNPHY-WDEREUQCSA-N -1 1 283.755 2.528 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H](O)C12CCCC2 ZINC000817573633 632666970 /nfs/dbraw/zinc/66/69/70/632666970.db2.gz CBUFISZUFMBLTG-LBPRGKRZSA-N -1 1 295.766 2.565 20 0 CFADMM COc1cccc(-c2noc([N-][C@H](C)c3ccn(C)n3)n2)c1 ZINC000840347415 632687448 /nfs/dbraw/zinc/68/74/48/632687448.db2.gz ROYCUJUNDXKMLN-SNVBAGLBSA-N -1 1 299.334 2.652 20 0 CFADMM CCC[C@H](C)[C@H](CO)NC(=O)c1c([O-])cccc1Cl ZINC000846360388 632696262 /nfs/dbraw/zinc/69/62/62/632696262.db2.gz LXTLVKFZUWQFTE-ONGXEEELSA-N -1 1 285.771 2.573 20 0 CFADMM C[C@]1(CCNC(=O)c2cc(F)ccc2[O-])C[C@@]1(F)Cl ZINC000846403046 632703549 /nfs/dbraw/zinc/70/35/49/632703549.db2.gz GPBWUUIKVPMSNK-STQMWFEESA-N -1 1 289.709 2.966 20 0 CFADMM CC[C@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@H](C)CO1 ZINC000846434134 632710848 /nfs/dbraw/zinc/71/08/48/632710848.db2.gz PUZLHUIMLRREQT-ZJUUUORDSA-N -1 1 283.755 2.685 20 0 CFADMM COC1(CCNC(=O)c2c([O-])cccc2Cl)CCC1 ZINC000818007334 632786396 /nfs/dbraw/zinc/78/63/96/632786396.db2.gz KKARVXGMCLENOK-UHFFFAOYSA-N -1 1 283.755 2.735 20 0 CFADMM Cc1ccnc(CNC(=O)c2c([O-])cccc2Cl)c1 ZINC000818435143 632844641 /nfs/dbraw/zinc/84/46/41/632844641.db2.gz PYDCOXOWXGXNDK-UHFFFAOYSA-N -1 1 276.723 2.679 20 0 CFADMM O=C([N-]C1(c2cccc(OC(F)(F)F)c2)CC1)C(F)F ZINC000847215291 632954598 /nfs/dbraw/zinc/95/45/98/632954598.db2.gz RBFRNKBSGXNJCP-UHFFFAOYSA-N -1 1 295.207 2.956 20 0 CFADMM CC(C)O[N-]C(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000848163131 633212467 /nfs/dbraw/zinc/21/24/67/633212467.db2.gz WJCQCFOLNXJYNE-LBPRGKRZSA-N -1 1 269.728 2.758 20 0 CFADMM O=C(NCC[C@H]1CC1(Cl)Cl)c1ccc([O-])c(F)c1 ZINC000857380580 635971598 /nfs/dbraw/zinc/97/15/98/635971598.db2.gz HSFQVEDGAWQTQN-QMMMGPOBSA-N -1 1 292.137 2.845 20 0 CFADMM O=C(Nc1ccnn1C1CCCC1)c1ccccc1[O-] ZINC000849189588 633582644 /nfs/dbraw/zinc/58/26/44/633582644.db2.gz XDTXWEMUBMDQDB-UHFFFAOYSA-N -1 1 271.320 2.956 20 0 CFADMM CC(C)(F)CC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000849457047 633636154 /nfs/dbraw/zinc/63/61/54/633636154.db2.gz JMURNHLNZHRWSM-UHFFFAOYSA-N -1 1 285.340 2.849 20 0 CFADMM CC(C)(C)O[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)C12CCC2 ZINC000849469882 633637744 /nfs/dbraw/zinc/63/77/44/633637744.db2.gz AYITVWNWBISVPM-BDAKNGLRSA-N -1 1 279.302 2.791 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@@H]2CCSC2)n1 ZINC000849856791 633743835 /nfs/dbraw/zinc/74/38/35/633743835.db2.gz MMRZBQMWRFKKKB-SECBINFHSA-N -1 1 256.396 2.732 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2cccc(F)n2)n1 ZINC000849856993 633743858 /nfs/dbraw/zinc/74/38/58/633743858.db2.gz QCRVFOYFHVBFFJ-UHFFFAOYSA-N -1 1 279.340 2.961 20 0 CFADMM Cc1cnc(SCC2CCC3(CC2)OCCO3)[n-]c1=O ZINC000849903613 633759683 /nfs/dbraw/zinc/75/96/83/633759683.db2.gz YULFPDVQKRFJDR-UHFFFAOYSA-N -1 1 296.392 2.516 20 0 CFADMM Cc1cnc(SCCC2SCCS2)[n-]c1=O ZINC000853020642 634878793 /nfs/dbraw/zinc/87/87/93/634878793.db2.gz HQKYPCBBUCWNIX-UHFFFAOYSA-N -1 1 274.436 2.779 20 0 CFADMM CN(C)C1(C(=O)Nc2cc(F)c(O)cc2Cl)CCC1 ZINC000885675825 635278580 /nfs/dbraw/zinc/27/85/80/635278580.db2.gz CALNJIFFGANYNC-UHFFFAOYSA-N -1 1 286.734 2.608 20 0 CFADMM CCC(F)(F)C(=O)[N-]Cc1c(F)cc(F)cc1F ZINC000854661212 635357859 /nfs/dbraw/zinc/35/78/59/635357859.db2.gz GZFXNYNHXKSJTN-UHFFFAOYSA-N -1 1 267.197 2.765 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC1CC(C)(C)C1 ZINC000856336960 635783945 /nfs/dbraw/zinc/78/39/45/635783945.db2.gz DCYNAGAVIQEMFE-UHFFFAOYSA-N -1 1 277.368 2.532 20 0 CFADMM O=C(Cc1ccc(Cl)s1)[N-]OCC1CCC1 ZINC000856351316 635793152 /nfs/dbraw/zinc/79/31/52/635793152.db2.gz IIUGGKMWQTUIDZ-UHFFFAOYSA-N -1 1 259.758 2.792 20 0 CFADMM C/C(=C/C(=O)[N-]O[C@H]1CCCCO1)c1cccs1 ZINC000857089908 635928828 /nfs/dbraw/zinc/92/88/28/635928828.db2.gz GKGXPSBEDZJKTO-XPSMFNQNSA-N -1 1 267.350 2.726 20 0 CFADMM 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ZINC001233757380 778066647 /nfs/dbraw/zinc/06/66/47/778066647.db2.gz CBNDCQSPUDNQCK-UWVGGRQHSA-N -1 1 282.340 2.562 20 0 CFADMM COC(=O)c1cccc2[n-]c(O[C@H](C)C3CCC3)nc21 ZINC001234040289 778149507 /nfs/dbraw/zinc/14/95/07/778149507.db2.gz XUFFMEIHDVLEOX-SECBINFHSA-N -1 1 274.320 2.917 20 0 CFADMM COC(=O)c1cccc2nc(O[C@H](C)C3CCC3)[n-]c21 ZINC001234040289 778149511 /nfs/dbraw/zinc/14/95/11/778149511.db2.gz XUFFMEIHDVLEOX-SECBINFHSA-N -1 1 274.320 2.917 20 0 CFADMM COC(=O)c1cccc2[n-]c(O[C@H]3CC[C@H](C)C3)nc21 ZINC001234044462 778150260 /nfs/dbraw/zinc/15/02/60/778150260.db2.gz KOXZFQWVSHAYAO-UWVGGRQHSA-N -1 1 274.320 2.917 20 0 CFADMM COC(=O)c1cccc2[n-]c(O[C@@H]3CC[C@H](C)C3)nc21 ZINC001234044463 778150608 /nfs/dbraw/zinc/15/06/08/778150608.db2.gz KOXZFQWVSHAYAO-VHSXEESVSA-N -1 1 274.320 2.917 20 0 CFADMM C[C@H](NC(=O)c1ccc([O-])cn1)[C@@H]1CCC[C@H](C)C1 ZINC001142301418 778160832 /nfs/dbraw/zinc/16/08/32/778160832.db2.gz NEPLVNLHHVYYCB-SDDRHHMPSA-N -1 1 262.353 2.732 20 0 CFADMM S=c1nncc(O[C@H]2CCCc3c(Cl)ccnc32)[n-]1 ZINC001228636035 778177595 /nfs/dbraw/zinc/17/75/95/778177595.db2.gz HYZLSBVPIXVZKP-VIFPVBQESA-N -1 1 294.767 2.665 20 0 CFADMM S=c1nncc(O[C@@H](c2ccccc2)C2CC2)[n-]1 ZINC001228638866 778178267 /nfs/dbraw/zinc/17/82/67/778178267.db2.gz JGSLUYMSZAXJCH-LBPRGKRZSA-N -1 1 259.334 2.690 20 0 CFADMM Cc1cc(-n2[n-]c(=O)c3ccc(N)cc32)cc(C)c1O ZINC001211917280 778247110 /nfs/dbraw/zinc/24/71/10/778247110.db2.gz SZRHBXJXYKMGAX-UHFFFAOYSA-N -1 1 269.304 2.636 20 0 CFADMM CC/C=C(\C)[C@@H](CC)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234562048 778252635 /nfs/dbraw/zinc/25/26/35/778252635.db2.gz PSMHXIRSRIFWLC-ANYFNZRUSA-N -1 1 294.351 2.791 20 0 CFADMM COC(=O)c1nc(C)[n-]c(=O)c1O[C@H](C)CCC=C(C)C ZINC001234561357 778252694 /nfs/dbraw/zinc/25/26/94/778252694.db2.gz LPVZBTOVUIMNAT-SNVBAGLBSA-N -1 1 294.351 2.791 20 0 CFADMM CC[C@H](C)C[C@H](CC)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234564893 778253805 /nfs/dbraw/zinc/25/38/05/778253805.db2.gz QXKURJGFRPPWLA-ONGXEEELSA-N -1 1 296.367 2.871 20 0 CFADMM Cc1cc2[nH]c(=O)n(-c3ccc([O-])c(F)c3F)c2cc1N ZINC001212009216 778325670 /nfs/dbraw/zinc/32/56/70/778325670.db2.gz KOXKUWYGWJZJCN-UHFFFAOYSA-N -1 1 291.257 2.606 20 0 CFADMM O=C([O-])C=Cc1ccc(-c2nccc3[nH]cnc32)cc1 ZINC001235030499 778360458 /nfs/dbraw/zinc/36/04/58/778360458.db2.gz ZDLGSMDSKMSPOD-ZZXKWVIFSA-N -1 1 265.272 2.723 20 0 CFADMM CSc1nc(NC(=O)[C@]2(C)CC=CCC2)cc(=O)[n-]1 ZINC001142540980 778405208 /nfs/dbraw/zinc/40/52/08/778405208.db2.gz UAOJENPWHWDRIC-CYBMUJFWSA-N -1 1 279.365 2.589 20 0 CFADMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccco1 ZINC000128346465 778504053 /nfs/dbraw/zinc/50/40/53/778504053.db2.gz FPSNTNVBIAJQQG-SECBINFHSA-N -1 1 288.690 2.894 20 0 CFADMM Nc1ccc(-c2nc([C@@H]3CCCS3)no2)c([O-])c1 ZINC000160626221 778611554 /nfs/dbraw/zinc/61/15/54/778611554.db2.gz NXCAPRXPSJBVAE-JTQLQIEISA-N -1 1 263.322 2.593 20 0 CFADMM Cc1nc2c[nH]cc(-c3ccc(C(=O)[O-])cc3)c-2n1 ZINC001236064148 778677463 /nfs/dbraw/zinc/67/74/63/778677463.db2.gz MHZNDPWVISFFGX-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM Cc1nc2c(cncc2-c2ccc(C(=O)[O-])cc2)[nH]1 ZINC001236064148 778677467 /nfs/dbraw/zinc/67/74/67/778677467.db2.gz MHZNDPWVISFFGX-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM Cc1ccc(F)c(-c2ncnc3cnccc32)c1[O-] ZINC001236390171 778799500 /nfs/dbraw/zinc/79/95/00/778799500.db2.gz IBXAEALOFFXHTM-UHFFFAOYSA-N -1 1 255.252 2.845 20 0 CFADMM COc1nc(C)nc(-c2c(F)ccc(C)c2[O-])c1C ZINC001236390754 778799824 /nfs/dbraw/zinc/79/98/24/778799824.db2.gz JDGHAGFJAIKHEH-UHFFFAOYSA-N -1 1 262.284 2.922 20 0 CFADMM CNc1cnc(-c2c(F)ccc(C)c2[O-])cc1C(=O)OC ZINC001236393160 778800695 /nfs/dbraw/zinc/80/06/95/778800695.db2.gz PMVLEWYGWKGAGK-UHFFFAOYSA-N -1 1 290.294 2.730 20 0 CFADMM CCS(=O)(=O)c1ccnc(-c2c(F)ccc(C)c2[O-])c1 ZINC001236402116 778802739 /nfs/dbraw/zinc/80/27/39/778802739.db2.gz HAKYRUSQATXOEK-UHFFFAOYSA-N -1 1 295.335 2.695 20 0 CFADMM [O-]c1cc(CN2CCC(F)(F)[C@H](F)C2)cc(F)c1F ZINC001232971118 779001705 /nfs/dbraw/zinc/00/17/05/779001705.db2.gz UOIVGIMVASXSTI-SNVBAGLBSA-N -1 1 281.224 2.850 20 0 CFADMM [O-]c1cnc(Cl)cc1CN1CCc2occc2C1 ZINC001233038921 779009659 /nfs/dbraw/zinc/00/96/59/779009659.db2.gz JOZSFRMBUKZDEV-UHFFFAOYSA-N -1 1 264.712 2.592 20 0 CFADMM O=C1CCC[C@H]2CN(Cc3cc(F)c([O-])c(Cl)c3)C[C@H]12 ZINC001237994050 779224413 /nfs/dbraw/zinc/22/44/13/779224413.db2.gz IYYPNXANMODUBV-QWRGUYRKSA-N -1 1 297.757 2.986 20 0 CFADMM CC(=O)[C@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1C ZINC001238146013 779262005 /nfs/dbraw/zinc/26/20/05/779262005.db2.gz SUDCBQRARRMXAI-OAHLLOKOSA-N -1 1 275.348 2.637 20 0 CFADMM COC(=O)c1nc2cc(-c3cnn(C(F)F)c3)ccc2[n-]1 ZINC001238866374 779408277 /nfs/dbraw/zinc/40/82/77/779408277.db2.gz HMLXCRHOYFBRKI-UHFFFAOYSA-N -1 1 292.245 2.608 20 0 CFADMM COC(=O)c1nc2ccc(-c3cnn(C(F)F)c3)cc2[n-]1 ZINC001238866374 779408281 /nfs/dbraw/zinc/40/82/81/779408281.db2.gz HMLXCRHOYFBRKI-UHFFFAOYSA-N -1 1 292.245 2.608 20 0 CFADMM COc1ccc(CC2([N-]C(=O)C(F)(F)F)CCC2)cc1 ZINC001142771399 779521204 /nfs/dbraw/zinc/52/12/04/779521204.db2.gz YITHPYKXCJZIOQ-UHFFFAOYSA-N -1 1 287.281 2.839 20 0 CFADMM COC(=O)c1nc2ccc(-c3c(F)cccc3F)[n-]c-2n1 ZINC001239575252 779637300 /nfs/dbraw/zinc/63/73/00/779637300.db2.gz BBBNPZGYKPQSFG-UHFFFAOYSA-N -1 1 289.241 2.690 20 0 CFADMM COC(=O)c1nc2ccc(-c3c(F)cccc3F)nc2[n-]1 ZINC001239575252 779637307 /nfs/dbraw/zinc/63/73/07/779637307.db2.gz BBBNPZGYKPQSFG-UHFFFAOYSA-N -1 1 289.241 2.690 20 0 CFADMM O=C1Cc2cc(-c3cncc4ccccc43)ccc2C(=O)[N-]1 ZINC001239948420 779878410 /nfs/dbraw/zinc/87/84/10/779878410.db2.gz RVZJODMORXBBIR-UHFFFAOYSA-N -1 1 288.306 2.714 20 0 CFADMM CCc1cccc(-c2noc(-c3cc(C(C)=O)[n-]n3)n2)c1 ZINC001212429118 780171899 /nfs/dbraw/zinc/17/18/99/780171899.db2.gz ATZUGTRXBINPPF-UHFFFAOYSA-N -1 1 282.303 2.892 20 0 CFADMM CCc1cccc(-c2noc(-c3cc(C(C)=O)n[n-]3)n2)c1 ZINC001212429118 780171904 /nfs/dbraw/zinc/17/19/04/780171904.db2.gz ATZUGTRXBINPPF-UHFFFAOYSA-N -1 1 282.303 2.892 20 0 CFADMM Cc1nc(-c2cc(F)ccc2[O-])cc(N2CCCC2)n1 ZINC001240693640 780363672 /nfs/dbraw/zinc/36/36/72/780363672.db2.gz DDKLFQBTWQRTFG-UHFFFAOYSA-N -1 1 273.311 2.897 20 0 CFADMM CON(C)C(=O)c1cc(C)cnc1-c1cc(F)ccc1[O-] ZINC001240694231 780364931 /nfs/dbraw/zinc/36/49/31/780364931.db2.gz RNZXVCVUQFSYID-UHFFFAOYSA-N -1 1 290.294 2.535 20 0 CFADMM Cc1cc(-c2cc(F)ccc2[O-])nc(-c2ncccn2)n1 ZINC001240695988 780367829 /nfs/dbraw/zinc/36/78/29/780367829.db2.gz UYAPZLBXEMWGJC-UHFFFAOYSA-N -1 1 282.278 2.754 20 0 CFADMM CN(C)C(=S)Oc1cccnc1-c1cc(F)ccc1[O-] ZINC001240696429 780368257 /nfs/dbraw/zinc/36/82/57/780368257.db2.gz PSJZWBZCVWWOLN-UHFFFAOYSA-N -1 1 292.335 2.819 20 0 CFADMM NC(=O)c1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1O ZINC001214494333 780377620 /nfs/dbraw/zinc/37/76/20/780377620.db2.gz NFZQRUSRATWSJD-UHFFFAOYSA-N -1 1 296.685 2.733 20 0 CFADMM O=C1Cc2cc(-c3cccc4[nH]ccc43)ccc2C(=O)[N-]1 ZINC001240713866 780382905 /nfs/dbraw/zinc/38/29/05/780382905.db2.gz FNJGPVRHAMFYCG-UHFFFAOYSA-N -1 1 276.295 2.647 20 0 CFADMM COc1cc(C)cc(-c2noc(-c3ncccc3[O-])n2)c1 ZINC001212480656 780395916 /nfs/dbraw/zinc/39/59/16/780395916.db2.gz BGWNQGJXCSTKJK-UHFFFAOYSA-N -1 1 283.287 2.821 20 0 CFADMM COc1ccc(-c2noc(-c3ncccc3[O-])n2)cc1F ZINC001212481085 780396303 /nfs/dbraw/zinc/39/63/03/780396303.db2.gz ZMPNHAFUBKOKBC-UHFFFAOYSA-N -1 1 287.250 2.652 20 0 CFADMM Oc1c(F)cc(F)cc1[N-]c1nonc1C1CC1 ZINC001212481690 780399159 /nfs/dbraw/zinc/39/91/59/780399159.db2.gz DPGPESAIVVJXQS-UHFFFAOYSA-N -1 1 253.208 2.674 20 0 CFADMM COc1cc2[nH]cnc2cc1-c1ccc(C(=O)[O-])cc1OC ZINC001240737371 780404337 /nfs/dbraw/zinc/40/43/37/780404337.db2.gz DUSFPVSSSCWKTO-UHFFFAOYSA-N -1 1 298.298 2.945 20 0 CFADMM COCCn1ccc2c1ncnc2-c1ccc([O-])c(F)c1 ZINC001240781617 780435135 /nfs/dbraw/zinc/43/51/35/780435135.db2.gz BYVGSHYRUUWNFE-UHFFFAOYSA-N -1 1 287.294 2.589 20 0 CFADMM COC(=O)c1nc2cc(-c3ccc4c(c3)OCO4)ccc2[n-]1 ZINC001240901094 780509207 /nfs/dbraw/zinc/50/92/07/780509207.db2.gz NGLUMUYMCJDUAW-UHFFFAOYSA-N -1 1 296.282 2.745 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc4c(c3)OCO4)cc2[n-]1 ZINC001240901094 780509211 /nfs/dbraw/zinc/50/92/11/780509211.db2.gz NGLUMUYMCJDUAW-UHFFFAOYSA-N -1 1 296.282 2.745 20 0 CFADMM Cc1ccc(C(=O)[O-])cc1-c1cccc2[nH]nnc21 ZINC001241001898 780585594 /nfs/dbraw/zinc/58/55/94/780585594.db2.gz LSORZYGBIBLBBP-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM O=C1Cc2cc(-c3cc(F)c(F)cc3F)ccc2C(=O)[N-]1 ZINC001241113118 780642077 /nfs/dbraw/zinc/64/20/77/780642077.db2.gz FCVPBVPIXXSEOA-UHFFFAOYSA-N -1 1 291.228 2.583 20 0 CFADMM COC(=O)c1cnc(OC)c(-c2c(F)cc([O-])cc2F)c1 ZINC001241120761 780650070 /nfs/dbraw/zinc/65/00/70/780650070.db2.gz JWOYDSSOPQPWDI-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM CN(C)C(=O)Cc1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241122331 780651176 /nfs/dbraw/zinc/65/11/76/780651176.db2.gz MCUGKGNKFSANPZ-UHFFFAOYSA-N -1 1 291.297 2.968 20 0 CFADMM COC(=O)c1ccc(N)c(-c2c(F)cc([O-])cc2F)c1 ZINC001241122477 780651378 /nfs/dbraw/zinc/65/13/78/780651378.db2.gz OVAAYHLSELLWJW-UHFFFAOYSA-N -1 1 279.242 2.706 20 0 CFADMM O=C1CSc2ncc(-c3c(F)cc([O-])cc3F)cc2N1 ZINC001241123243 780652254 /nfs/dbraw/zinc/65/22/54/780652254.db2.gz XHLNKNMYEXNMEJ-UHFFFAOYSA-N -1 1 294.282 2.777 20 0 CFADMM CN(C)C(=O)c1cc(-c2c(F)cc([O-])cc2F)cnc1F ZINC001241125013 780652347 /nfs/dbraw/zinc/65/23/47/780652347.db2.gz PAVYBUIEJBRMPW-UHFFFAOYSA-N -1 1 296.248 2.573 20 0 CFADMM [O-]c1cc(F)c(-c2ccc(-n3ccnc3)nc2)c(F)c1 ZINC001241122847 780652600 /nfs/dbraw/zinc/65/26/00/780652600.db2.gz NYOUVTOPPVMNCO-UHFFFAOYSA-N -1 1 273.242 2.918 20 0 CFADMM Cc1cc(-c2c(F)cc([O-])cc2F)ccc1C(N)=O ZINC001241123062 780652617 /nfs/dbraw/zinc/65/26/17/780652617.db2.gz SPONOJFUADZGTF-UHFFFAOYSA-N -1 1 263.243 2.745 20 0 CFADMM CN(C)Cc1ccc(-c2ccc(C(=O)[O-])c(F)c2)nc1 ZINC001241184783 780688992 /nfs/dbraw/zinc/68/89/92/780688992.db2.gz MFCDJPZHSRAMFQ-UHFFFAOYSA-N -1 1 274.295 2.648 20 0 CFADMM CCOc1cccc(F)c1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001241252382 780735874 /nfs/dbraw/zinc/73/58/74/780735874.db2.gz NISAKONYLPCPJH-UHFFFAOYSA-N -1 1 299.301 2.704 20 0 CFADMM CC(C)c1nc(-c2cc([O-])cc(F)c2)nc(N(C)C)n1 ZINC001241255720 780737011 /nfs/dbraw/zinc/73/70/11/780737011.db2.gz AWEKKVVPPJLLNN-UHFFFAOYSA-N -1 1 276.315 2.573 20 0 CFADMM Cc1nc2c(c(-c3c(F)ccc([O-])c3F)n1)CCC2 ZINC001241288959 780758563 /nfs/dbraw/zinc/75/85/63/780758563.db2.gz CXDZUFQXUUNFAT-UHFFFAOYSA-N -1 1 262.259 2.925 20 0 CFADMM CCN(CC)c1cc(-c2c(F)ccc([O-])c2F)ncn1 ZINC001241289226 780758682 /nfs/dbraw/zinc/75/86/82/780758682.db2.gz NPDZZFAQGSLQSY-UHFFFAOYSA-N -1 1 279.290 2.974 20 0 CFADMM CN(CC1CC1)c1cncc(-c2c(F)ccc([O-])c2F)n1 ZINC001241289778 780760239 /nfs/dbraw/zinc/76/02/39/780760239.db2.gz DKIZRABHDOBRHA-UHFFFAOYSA-N -1 1 291.301 2.974 20 0 CFADMM COC(=O)c1ccc(C)c(-c2c(F)ccc([O-])c2F)n1 ZINC001241291217 780761039 /nfs/dbraw/zinc/76/10/39/780761039.db2.gz JUQLWVPHAVUFGY-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM COC(=O)c1cnc(-c2c(F)ccc([O-])c2F)cc1F ZINC001241291754 780761863 /nfs/dbraw/zinc/76/18/63/780761863.db2.gz VULKSUMNVIGBPP-UHFFFAOYSA-N -1 1 283.205 2.658 20 0 CFADMM COc1ccnc(F)c1-c1c(F)ccc([O-])c1F ZINC001241295480 780766332 /nfs/dbraw/zinc/76/63/32/780766332.db2.gz SHHCDHYZYNOXIS-UHFFFAOYSA-N -1 1 255.195 2.880 20 0 CFADMM COC(=O)c1cc2ccc(-c3cccc(C(=O)[O-])c3)[nH]c-2n1 ZINC001241358554 780808619 /nfs/dbraw/zinc/80/86/19/780808619.db2.gz UTLJUAGRIJKBSM-UHFFFAOYSA-N -1 1 296.282 2.715 20 0 CFADMM Cc1cc2c(c(-c3cc(C)c(C)cc3C)n1)C(=O)[N-]C2=O ZINC001241626266 781028504 /nfs/dbraw/zinc/02/85/04/781028504.db2.gz OXAFBUDRTGJTME-UHFFFAOYSA-N -1 1 280.327 2.866 20 0 CFADMM Cc1[nH]nc2cc(-c3cnc(C(=O)[O-])c(C)c3)ccc12 ZINC001241641475 781040312 /nfs/dbraw/zinc/04/03/12/781040312.db2.gz SIQZLJGDTWFTRT-UHFFFAOYSA-N -1 1 267.288 2.940 20 0 CFADMM Cc1[nH]nc2cc(-c3ccc(S(=O)(=O)[O-])cc3)ccc12 ZINC001241641287 781041021 /nfs/dbraw/zinc/04/10/21/781041021.db2.gz OEWNXJHJIVVMQU-UHFFFAOYSA-N -1 1 288.328 2.785 20 0 CFADMM O=C1CCc2ccc(-c3noc(-c4ccc([O-])cn4)n3)cc21 ZINC001212558173 781055525 /nfs/dbraw/zinc/05/55/25/781055525.db2.gz VHJLZAULEKYJLN-UHFFFAOYSA-N 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XSMYOQNKOWHVGH-UHFFFAOYSA-N -1 1 283.253 2.934 20 0 CFADMM Cc1cc2c(c(-c3cccc(Cl)c3)n1)C(=O)[N-]C2=O ZINC001242143707 781298898 /nfs/dbraw/zinc/29/88/98/781298898.db2.gz AHQLBEDYMJMOFL-UHFFFAOYSA-N -1 1 272.691 2.594 20 0 CFADMM COC(=O)c1cnc(-c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001242148333 781300694 /nfs/dbraw/zinc/30/06/94/781300694.db2.gz UFVIEZDYVGSTJR-UHFFFAOYSA-N -1 1 298.220 2.655 20 0 CFADMM COc1cncc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242147692 781301188 /nfs/dbraw/zinc/30/11/88/781301188.db2.gz DKWCOCLFKUIBHP-UHFFFAOYSA-N -1 1 270.210 2.877 20 0 CFADMM CNC(=O)c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nc1 ZINC001242150946 781303336 /nfs/dbraw/zinc/30/33/36/781303336.db2.gz ANGDHZGKKQUCCL-UHFFFAOYSA-N -1 1 296.248 2.833 20 0 CFADMM C[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000709340562 781309438 /nfs/dbraw/zinc/30/94/38/781309438.db2.gz LOVXVSXCOLCZGP-GFCCVEGCSA-N -1 1 291.244 2.946 20 0 CFADMM [O-]c1ccc(-c2cncn3cnnc23)cc1C(F)(F)F ZINC001242165409 781310174 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ZINC000182871422 189337804 /nfs/dbraw/zinc/33/78/04/189337804.db2.gz XGKJHDXZAIQNGR-VIFPVBQESA-N -1 1 269.728 2.801 20 0 CFADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000666315169 541083538 /nfs/dbraw/zinc/08/35/38/541083538.db2.gz UFGLSEXCYQASKN-GDNZZTSVSA-N -1 1 283.331 2.767 20 0 CFADMM [O-]c1cc(-c2ncc(F)c3nccnc32)ccc1F ZINC001243046795 781950318 /nfs/dbraw/zinc/95/03/18/781950318.db2.gz JPKPTQZFJANKSR-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM Cc1cc(C)cc(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000667013835 541175292 /nfs/dbraw/zinc/17/52/92/541175292.db2.gz HYCORKCUUQMHMS-UHFFFAOYSA-N -1 1 298.268 2.622 20 0 CFADMM Cc1ccc(CN[C@H](CCC(C)(C)C)C(=O)[O-])o1 ZINC000426736394 239255652 /nfs/dbraw/zinc/25/56/52/239255652.db2.gz XRGMBHMMWBHUBD-GFCCVEGCSA-N -1 1 253.342 2.957 20 0 CFADMM Cc1cnc(C(=O)N[C@H]2CSc3ccccc32)c([O-])c1 ZINC000427447787 239311061 /nfs/dbraw/zinc/31/10/61/239311061.db2.gz AUSWKVLOLBAYQF-NSHDSACASA-N -1 1 286.356 2.672 20 0 CFADMM COc1cnc(-c2ccc(F)c([O-])c2)nc1NC1CC1 ZINC001243051432 781957408 /nfs/dbraw/zinc/95/74/08/781957408.db2.gz SLJNHXNSYWRQPW-UHFFFAOYSA-N -1 1 275.283 2.571 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CCCCC[C@H]1CCO ZINC000671899428 541407919 /nfs/dbraw/zinc/40/79/19/541407919.db2.gz UIJOKKGTTKNXEV-LBPRGKRZSA-N -1 1 297.782 2.813 20 0 CFADMM Cc1nc(NC(=O)c2cc(F)ccc2[O-])cs1 ZINC000436736082 240493139 /nfs/dbraw/zinc/49/31/39/240493139.db2.gz HTSHYOIOCGWHSN-UHFFFAOYSA-N -1 1 252.270 2.549 20 0 CFADMM C[C@H](CNC(=O)c1c(F)ccc([O-])c1F)c1nccs1 ZINC000438880785 240714392 /nfs/dbraw/zinc/71/43/92/240714392.db2.gz AAZHXTMRJPZDQE-SSDOTTSWSA-N -1 1 298.314 2.660 20 0 CFADMM COC1CCC(C(=O)Nc2ccc(F)cc2[O-])CC1 ZINC000672910866 541460859 /nfs/dbraw/zinc/46/08/59/541460859.db2.gz SCJOWSXJOFQCLU-UHFFFAOYSA-N -1 1 267.300 2.675 20 0 CFADMM CC1(C)CN(C(=O)C(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000672991825 541464762 /nfs/dbraw/zinc/46/47/62/541464762.db2.gz RKAFPYMWLFSTQL-UHFFFAOYSA-N -1 1 295.338 2.899 20 0 CFADMM COCC(C)(C)CCCNC(=O)c1ccc([O-])c(F)c1 ZINC000673343882 541480561 /nfs/dbraw/zinc/48/05/61/541480561.db2.gz WTICJLRTDKEWBK-UHFFFAOYSA-N -1 1 283.343 2.714 20 0 CFADMM Cc1ccc(F)c(CN(C)C(=O)c2ncc(C)cc2[O-])c1 ZINC000444435218 241141492 /nfs/dbraw/zinc/14/14/92/241141492.db2.gz ZBLSNEHLFSPFMN-UHFFFAOYSA-N -1 1 288.322 2.815 20 0 CFADMM C[C@@H](C(=O)Nc1c([O-])cccc1F)c1cccnc1 ZINC000673702120 541506068 /nfs/dbraw/zinc/50/60/68/541506068.db2.gz ZLJIVSYDUIUUFC-SECBINFHSA-N -1 1 260.268 2.669 20 0 CFADMM Cc1nc(SC[C@H]2CCO[C@@H](C)C2)[n-]c(=O)c1C ZINC000447296596 241363292 /nfs/dbraw/zinc/36/32/92/241363292.db2.gz VUQXEOYZEGNTKS-KWQFWETISA-N -1 1 268.382 2.706 20 0 CFADMM C[C@H]1C[C@@H](CSc2nc(C3CC3)cc(=O)[n-]2)CCO1 ZINC000447415080 241375030 /nfs/dbraw/zinc/37/50/30/241375030.db2.gz YNTGQNBHFHDVFI-UWVGGRQHSA-N -1 1 280.393 2.967 20 0 CFADMM Cc1cnc(CCCC(=O)Nc2ccc(F)cc2[O-])o1 ZINC000450147450 242288356 /nfs/dbraw/zinc/28/83/56/242288356.db2.gz XFLQOXYZCZMXFW-UHFFFAOYSA-N -1 1 278.283 2.789 20 0 CFADMM Cc1nc(SCCCOC(C)C)[n-]c(=O)c1C ZINC000330685780 203116939 /nfs/dbraw/zinc/11/69/39/203116939.db2.gz UXKBWEVSBSLIKA-UHFFFAOYSA-N -1 1 256.371 2.706 20 0 CFADMM CCc1noc(C)c1CSc1nc(C)c(C)c(=O)[n-]1 ZINC000330690076 203121687 /nfs/dbraw/zinc/12/16/87/203121687.db2.gz YFWVMIDWYHTURK-UHFFFAOYSA-N -1 1 279.365 2.950 20 0 CFADMM COC(=O)c1c[n-]c(SC[C@@H]2CCC(F)(F)C2)n1 ZINC000330737583 203172448 /nfs/dbraw/zinc/17/24/48/203172448.db2.gz YFSNMLMQDVHMHC-SSDOTTSWSA-N -1 1 276.308 2.724 20 0 CFADMM CC(C)(C)C[C@H](O)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000456792038 244289279 /nfs/dbraw/zinc/28/92/79/244289279.db2.gz ZMHNCJHJAPXMNQ-MRVPVSSYSA-N -1 1 287.306 2.796 20 0 CFADMM COC[C@@H](C)[C@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456789663 244290018 /nfs/dbraw/zinc/29/00/18/244290018.db2.gz VAVCUPVVQNWPCZ-SFYZADRCSA-N -1 1 273.279 2.528 20 0 CFADMM Cc1[nH]nc(C(=O)Nc2cc(F)ccc2OC(C)C)c1[O-] ZINC000676707015 541778620 /nfs/dbraw/zinc/77/86/20/541778620.db2.gz QOFAMLHSKMRPLO-UHFFFAOYSA-N -1 1 293.298 2.602 20 0 CFADMM c1ccc(-c2nc(=NOC[C@H]3CCOC3)s[n-]2)cc1 ZINC000276293817 193275132 /nfs/dbraw/zinc/27/51/32/193275132.db2.gz YZPWYDUQIAYBDG-JTQLQIEISA-N -1 1 277.349 2.585 20 0 CFADMM CN(C)c1ccc(C(=O)Nc2c([O-])cccc2F)c(F)c1 ZINC000677000634 541809843 /nfs/dbraw/zinc/80/98/43/541809843.db2.gz RFMBRNANEXEKFH-UHFFFAOYSA-N -1 1 292.285 2.989 20 0 CFADMM O=c1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)nc(C2CC2)[nH]1 ZINC000459345342 245150331 /nfs/dbraw/zinc/15/03/31/245150331.db2.gz SQKHAVMSTQCLEN-BXUZGUMPSA-N -1 1 273.380 2.824 20 0 CFADMM CC[C@@H](C)[C@@H](C)N(C(=O)c1cncc([O-])c1)C1CC1 ZINC000331892502 204267835 /nfs/dbraw/zinc/26/78/35/204267835.db2.gz ARFSZKDIBPDVSI-GHMZBOCLSA-N -1 1 262.353 2.826 20 0 CFADMM COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)c([O-])c1 ZINC000019838824 372195549 /nfs/dbraw/zinc/19/55/49/372195549.db2.gz DYKSNMRCZUYQRL-NSHDSACASA-N -1 1 283.327 2.992 20 0 CFADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccccn1 ZINC000035122161 372541549 /nfs/dbraw/zinc/54/15/49/372541549.db2.gz DPLJEOPSGOXYAN-SECBINFHSA-N -1 1 276.723 2.932 20 0 CFADMM CCC[C@@H](NCC(=O)Nc1cccc(C(C)C)c1)C(=O)[O-] ZINC000036840231 372601151 /nfs/dbraw/zinc/60/11/51/372601151.db2.gz MVVSWPOEPKQXDS-CQSZACIVSA-N -1 1 292.379 2.591 20 0 CFADMM COC(=O)CCCCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000035161055 372546271 /nfs/dbraw/zinc/54/62/71/372546271.db2.gz HZYFXJGHXDQVCM-UHFFFAOYSA-N -1 1 299.754 2.509 20 0 CFADMM C[C@H]([N-]S(=O)(=O)CC1(C)CCCCC1)C(C)(F)F ZINC000451692363 383684277 /nfs/dbraw/zinc/68/42/77/383684277.db2.gz TXLWLVQERJIZRT-JTQLQIEISA-N -1 1 283.384 2.920 20 0 CFADMM Cc1oc(-c2cccs2)nc1CN(C)CCC(=O)[O-] ZINC000037932755 372739653 /nfs/dbraw/zinc/73/96/53/372739653.db2.gz ARNYSKZGZNMKLZ-UHFFFAOYSA-N -1 1 280.349 2.618 20 0 CFADMM O=C(N[C@H]1CC12CCOCC2)c1ccc2ccccc2c1[O-] ZINC000333251978 205153992 /nfs/dbraw/zinc/15/39/92/205153992.db2.gz YPTMMACOCROUSB-HNNXBMFYSA-N -1 1 297.354 2.844 20 0 CFADMM [O-]c1ccc(-c2noc([C@H]3CCCOCC3)n2)c(F)c1 ZINC000333304092 205201465 /nfs/dbraw/zinc/20/14/65/205201465.db2.gz UCCVJCHJEPLZMC-VIFPVBQESA-N -1 1 278.283 2.865 20 0 CFADMM [O-]c1ccc(-c2noc([C@@H]3CCCOCC3)n2)c(F)c1 ZINC000333304086 205202293 /nfs/dbraw/zinc/20/22/93/205202293.db2.gz UCCVJCHJEPLZMC-SECBINFHSA-N -1 1 278.283 2.865 20 0 CFADMM O=C(Nc1nc2c(s1)CCC2)c1ccccc1[O-] ZINC000042237496 372891230 /nfs/dbraw/zinc/89/12/30/372891230.db2.gz VFXYCXLEAIJHSL-UHFFFAOYSA-N -1 1 260.318 2.590 20 0 CFADMM CCCCN(C(=O)c1ncccc1[O-])[C@@H](C)CC ZINC000042610565 372939400 /nfs/dbraw/zinc/93/94/00/372939400.db2.gz LSTNYTIEPZJVMS-NSHDSACASA-N -1 1 250.342 2.828 20 0 CFADMM C[C@@H](CN(C)Cc1coc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000042706757 372947375 /nfs/dbraw/zinc/94/73/75/372947375.db2.gz LTDSPWFQLSZDLH-JTQLQIEISA-N -1 1 292.310 2.633 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CCOC[C@@H]1C1CC1 ZINC000091697674 296195100 /nfs/dbraw/zinc/19/51/00/296195100.db2.gz WEMONJXBOKAXLE-MRXNPFEDSA-N -1 1 297.354 2.796 20 0 CFADMM Cc1nc(C)c(CN([C@H](C)C(=O)[O-])C2CCC2)s1 ZINC000571345669 383687121 /nfs/dbraw/zinc/68/71/21/383687121.db2.gz RGSGMCDSGDWUFD-SECBINFHSA-N -1 1 268.382 2.588 20 0 CFADMM COc1ccccc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000047367633 373090390 /nfs/dbraw/zinc/09/03/90/373090390.db2.gz YXNCBKRPUBIGHT-UHFFFAOYSA-N -1 1 295.335 2.944 20 0 CFADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000048652084 373210256 /nfs/dbraw/zinc/21/02/56/373210256.db2.gz XQFWQSLYWMPCRZ-UHFFFAOYSA-N -1 1 265.309 2.935 20 0 CFADMM COCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000048654380 373210577 /nfs/dbraw/zinc/21/05/77/373210577.db2.gz QIZZKGCLUWSGAU-UHFFFAOYSA-N -1 1 277.345 2.634 20 0 CFADMM C[C@@H](NC(=O)c1ncccc1[O-])c1cccc(Cl)c1 ZINC000049526919 373308720 /nfs/dbraw/zinc/30/87/20/373308720.db2.gz GVDQXHCLUXXDNY-SECBINFHSA-N -1 1 276.723 2.932 20 0 CFADMM O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000051990723 373423315 /nfs/dbraw/zinc/42/33/15/373423315.db2.gz YWPXWYGMQPXEFT-CABCVRRESA-N -1 1 285.343 2.579 20 0 CFADMM Cc1cccc(CN(C)Cc2cc(C(=O)[O-])co2)c1 ZINC000051330519 373392568 /nfs/dbraw/zinc/39/25/68/373392568.db2.gz FZWNZYXVBHYFHA-UHFFFAOYSA-N -1 1 259.305 2.918 20 0 CFADMM Cc1oc(C(=O)[O-])cc1CN(C)Cc1cccs1 ZINC000051361399 373393894 /nfs/dbraw/zinc/39/38/94/373393894.db2.gz IBIKPKMRSSNYQN-UHFFFAOYSA-N -1 1 265.334 2.980 20 0 CFADMM COc1cc(C(=O)Nc2ccncc2[O-])ccc1Cl ZINC000089487291 220209157 /nfs/dbraw/zinc/20/91/57/220209157.db2.gz RPJXPKSNANULBD-UHFFFAOYSA-N -1 1 278.695 2.702 20 0 CFADMM C[C@@H](C(=O)[O-])N(C)Cc1c(Cl)cccc1Cl ZINC000054070268 373494560 /nfs/dbraw/zinc/49/45/60/373494560.db2.gz YKKQYKOJZNOVFL-ZETCQYMHSA-N -1 1 262.136 2.898 20 0 CFADMM CN(Cc1ncc[nH]1)C(=O)c1cc2ccccc2cc1[O-] ZINC000070979278 374208403 /nfs/dbraw/zinc/20/84/03/374208403.db2.gz MPCUBLJMULMZAA-UHFFFAOYSA-N -1 1 281.315 2.541 20 0 CFADMM COCC1(C)CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000334151069 206098562 /nfs/dbraw/zinc/09/85/62/206098562.db2.gz PDMYVIFMEJCNQW-UHFFFAOYSA-N -1 1 299.317 2.559 20 0 CFADMM O=S(=O)([N-][C@@H]1CC[C@H](F)C1)c1c(F)cccc1Cl ZINC000334154304 206110619 /nfs/dbraw/zinc/11/06/19/206110619.db2.gz RAMUASHGGJBDIP-JGVFFNPUSA-N -1 1 295.738 2.648 20 0 CFADMM O=C(Nc1cccc(-n2ccnc2)c1)c1ccccc1[O-] ZINC000079217466 374598916 /nfs/dbraw/zinc/59/89/16/374598916.db2.gz WGTCJWOLBMNIQC-UHFFFAOYSA-N -1 1 279.299 2.830 20 0 CFADMM CC(C)OCCS(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000080782716 374672869 /nfs/dbraw/zinc/67/28/69/374672869.db2.gz ZFJPGXKPPZKIKM-UHFFFAOYSA-N -1 1 295.763 2.646 20 0 CFADMM Cc1ccc(C[C@@H](C)[N-]C(=O)C(F)(F)F)s1 ZINC000083927125 374758490 /nfs/dbraw/zinc/75/84/90/374758490.db2.gz SPGTTXCYLLGONK-ZCFIWIBFSA-N -1 1 251.273 2.666 20 0 CFADMM C[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000081957984 374724666 /nfs/dbraw/zinc/72/46/66/374724666.db2.gz XNLRAZWDUPELKR-JTQLQIEISA-N -1 1 251.301 2.794 20 0 CFADMM COc1ncccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000085204517 374796233 /nfs/dbraw/zinc/79/62/33/374796233.db2.gz PXHAHVGMOQXOQT-UHFFFAOYSA-N -1 1 278.695 2.702 20 0 CFADMM C[C@@H]1[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)[C@H]1C1CC1 ZINC000529467945 383704568 /nfs/dbraw/zinc/70/45/68/383704568.db2.gz ZSUBFMJVBXSOTR-MQOMDTIOSA-N -1 1 267.275 2.901 20 0 CFADMM CC(=O)Nc1ccc(C)cc1NC(=O)c1ccccc1[O-] ZINC000089618789 374929789 /nfs/dbraw/zinc/92/97/89/374929789.db2.gz ATEDYHBGOGPZNF-UHFFFAOYSA-N -1 1 284.315 2.911 20 0 CFADMM Cc1ccccc1S(=O)(=O)[N-]c1ccsc1 ZINC000090868571 375033011 /nfs/dbraw/zinc/03/30/11/375033011.db2.gz XHOSLACTAXMXCO-UHFFFAOYSA-N -1 1 253.348 2.857 20 0 CFADMM O=C(NCC(F)F)c1cc2ccccc2cc1[O-] ZINC000098003080 375589857 /nfs/dbraw/zinc/58/98/57/375589857.db2.gz PPSNPCUILBLXMM-UHFFFAOYSA-N -1 1 251.232 2.540 20 0 CFADMM CCCc1cc(=O)[n-]c(SCCc2cnn(CC)c2)n1 ZINC000505454491 247138418 /nfs/dbraw/zinc/13/84/18/247138418.db2.gz BCJAWVUQQAHOSC-UHFFFAOYSA-N -1 1 292.408 2.686 20 0 CFADMM CCCC[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505744362 247150376 /nfs/dbraw/zinc/15/03/76/247150376.db2.gz PVWGWRUDAVNAFA-SNVBAGLBSA-N -1 1 279.336 2.944 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2cnc(C)nc2)n1 ZINC000505449342 247137590 /nfs/dbraw/zinc/13/75/90/247137590.db2.gz NMFLGOGGUPORLO-UHFFFAOYSA-N -1 1 276.365 2.525 20 0 CFADMM CC(C)(C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000102889390 375698165 /nfs/dbraw/zinc/69/81/65/375698165.db2.gz XQPZFERDBOSJDT-UHFFFAOYSA-N -1 1 298.268 2.740 20 0 CFADMM O=c1nc(C[N@H+]2CCC[C@H]2C2CCC2)[n-]c2ccsc21 ZINC000102926818 375701796 /nfs/dbraw/zinc/70/17/96/375701796.db2.gz WVGQRZHXBXTJRK-LBPRGKRZSA-N -1 1 289.404 2.749 20 0 CFADMM C[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)CC1CCC1 ZINC000111298906 375835825 /nfs/dbraw/zinc/83/58/25/375835825.db2.gz YUSJFGLGJPIFRV-UHFFFAOYSA-N -1 1 297.358 2.901 20 0 CFADMM CCCC(=O)Nc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000111572542 375854657 /nfs/dbraw/zinc/85/46/57/375854657.db2.gz SIASHLXUCUPCTJ-UHFFFAOYSA-N -1 1 299.330 2.778 20 0 CFADMM CSc1ccccc1NC(=O)c1cncc([O-])c1 ZINC000111742428 375867578 /nfs/dbraw/zinc/86/75/78/375867578.db2.gz DCXIRDFOJGXYIE-UHFFFAOYSA-N -1 1 260.318 2.761 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000111775563 375868654 /nfs/dbraw/zinc/86/86/54/375868654.db2.gz WMKHNPOKRQSCPV-OAHLLOKOSA-N -1 1 282.343 2.635 20 0 CFADMM COC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000113435404 376016478 /nfs/dbraw/zinc/01/64/78/376016478.db2.gz YLFHVAKWSJTONL-JTQLQIEISA-N -1 1 283.755 2.544 20 0 CFADMM O=C([O-])c1ccc(CNCc2cc(F)ccc2F)cc1 ZINC000113522025 376023647 /nfs/dbraw/zinc/02/36/47/376023647.db2.gz GAZVVFHJAIUOBP-UHFFFAOYSA-N -1 1 277.270 2.953 20 0 CFADMM O=C(c1ncccc1[O-])N1CC=C(c2ccccc2F)CC1 ZINC000119099852 376354056 /nfs/dbraw/zinc/35/40/56/376354056.db2.gz QQWFHWSSGKOEOD-UHFFFAOYSA-N -1 1 298.317 2.856 20 0 CFADMM CC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000118950940 376326038 /nfs/dbraw/zinc/32/60/38/376326038.db2.gz LFODNNYWGIUVEL-LLVKDONJSA-N -1 1 288.372 2.815 20 0 CFADMM C[C@H](c1ncc(-c2ccccc2)o1)N(C)CCC(=O)[O-] ZINC000262664002 190060180 /nfs/dbraw/zinc/06/01/80/190060180.db2.gz ORMZTNBWCVYGGJ-LLVKDONJSA-N -1 1 274.320 2.809 20 0 CFADMM CCC[C@H](C)CC(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000119733187 376460386 /nfs/dbraw/zinc/46/03/86/376460386.db2.gz BPXNWAAXJSNZRK-JTQLQIEISA-N -1 1 275.356 2.575 20 0 CFADMM C[C@@]1(C(=O)[O-])CCN(Cc2csc(-c3ccoc3)n2)C1 ZINC000571649050 383714177 /nfs/dbraw/zinc/71/41/77/383714177.db2.gz LIZLBHBPARWFCX-CQSZACIVSA-N -1 1 292.360 2.700 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccn(C(F)F)n1 ZINC000678862861 542086138 /nfs/dbraw/zinc/08/61/38/542086138.db2.gz DDELCZJCYPTMJX-UHFFFAOYSA-N -1 1 287.653 2.890 20 0 CFADMM Cc1ocnc1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000121684970 376885097 /nfs/dbraw/zinc/88/50/97/376885097.db2.gz IQPLBLCJYGVBRK-UHFFFAOYSA-N -1 1 286.316 2.754 20 0 CFADMM CCC[C@H](C)CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000126586297 377237041 /nfs/dbraw/zinc/23/70/41/377237041.db2.gz QVYNKKWMOKYGNR-LURJTMIESA-N -1 1 264.251 2.588 20 0 CFADMM O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1cncc([O-])c1 ZINC000264931291 190145280 /nfs/dbraw/zinc/14/52/80/190145280.db2.gz NQTFHQGZIBGJHV-CVEARBPZSA-N -1 1 282.343 2.853 20 0 CFADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000128681553 377350271 /nfs/dbraw/zinc/35/02/71/377350271.db2.gz HQTUYNBOCMGSIT-NXEZZACHSA-N -1 1 251.301 2.792 20 0 CFADMM Cc1nc(CCNC(=O)c2c([O-])cccc2F)sc1C ZINC000129822924 377479641 /nfs/dbraw/zinc/47/96/41/377479641.db2.gz BRPFFZBRQCTNEK-UHFFFAOYSA-N -1 1 294.351 2.577 20 0 CFADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cncc([O-])c1 ZINC000679586525 542212924 /nfs/dbraw/zinc/21/29/24/542212924.db2.gz QLPNPEYCEAQVAY-PSASIEDQSA-N -1 1 288.269 2.590 20 0 CFADMM Cc1cccc2cc(S(=O)(=O)[N-]CC(F)F)sc21 ZINC000645573076 383722971 /nfs/dbraw/zinc/72/29/71/383722971.db2.gz LHAULWSHQVXTNP-UHFFFAOYSA-N -1 1 291.344 2.753 20 0 CFADMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000131991714 377788343 /nfs/dbraw/zinc/78/83/43/377788343.db2.gz XCXDBVDNYAXDKF-HTQZYQBOSA-N -1 1 293.310 2.571 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000132084104 377799728 /nfs/dbraw/zinc/79/97/28/377799728.db2.gz SPOHDICRGUGYGP-YGRLFVJLSA-N -1 1 295.766 2.687 20 0 CFADMM CSC[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000132715709 377869240 /nfs/dbraw/zinc/86/92/40/377869240.db2.gz MCZVDCOPWHWCKJ-SSDOTTSWSA-N -1 1 297.804 2.509 20 0 CFADMM CCC[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)C(C)C ZINC000134541603 378029225 /nfs/dbraw/zinc/02/92/25/378029225.db2.gz LIEXKCFHFQJKGM-SSDOTTSWSA-N -1 1 278.278 2.834 20 0 CFADMM O=C(Cc1ccc(F)cc1Cl)[N-]O[C@H]1CCCCO1 ZINC000136815183 378210654 /nfs/dbraw/zinc/21/06/54/378210654.db2.gz BKOGIFVQPTVKSM-ZDUSSCGKSA-N -1 1 287.718 2.596 20 0 CFADMM O=C(Nc1ccccc1O[C@@H]1CCOC1)c1ccccc1[O-] ZINC000151254088 378311757 /nfs/dbraw/zinc/31/17/57/378311757.db2.gz ZMUNBGYSXALGNK-GFCCVEGCSA-N -1 1 299.326 2.812 20 0 CFADMM CSCCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289475589 197365443 /nfs/dbraw/zinc/36/54/43/197365443.db2.gz HUAQUMXMEWDHSU-UHFFFAOYSA-N -1 1 266.338 2.965 20 0 CFADMM C[C@@H]1CCC[C@@H](CC(=O)Nc2n[n-]c(C(F)(F)F)n2)C1 ZINC000153942649 378524300 /nfs/dbraw/zinc/52/43/00/378524300.db2.gz GSYMNIYHRBAHKZ-HTQZYQBOSA-N -1 1 290.289 2.978 20 0 CFADMM C[C@H](O)[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000153941827 378524864 /nfs/dbraw/zinc/52/48/64/378524864.db2.gz QUEUGHUHNJDCSK-SWLSCSKDSA-N -1 1 299.370 2.778 20 0 CFADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)CCC2CC2)sc1C ZINC000329907522 378513312 /nfs/dbraw/zinc/51/33/12/378513312.db2.gz TUIWEDLRJAIJAH-QMMMGPOBSA-N -1 1 288.438 2.617 20 0 CFADMM O=C(Nc1ccncc1[O-])c1cc(F)c(Cl)cc1F ZINC000153837376 378514264 /nfs/dbraw/zinc/51/42/64/378514264.db2.gz FDVDHNXEFUKMHE-UHFFFAOYSA-N -1 1 284.649 2.971 20 0 CFADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ncccc1[O-] ZINC000153840095 378517005 /nfs/dbraw/zinc/51/70/05/378517005.db2.gz AFKCUFJDAPLHDI-UTUOFQBUSA-N -1 1 260.337 2.580 20 0 CFADMM CCCc1cc(=O)[n-]c(SC[C@H](O)C(C)(C)C)n1 ZINC000330367355 378537179 /nfs/dbraw/zinc/53/71/79/378537179.db2.gz WDMGULCTFZHNBT-JTQLQIEISA-N -1 1 270.398 2.634 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@]2(CCOC2)C1 ZINC000155212238 378617635 /nfs/dbraw/zinc/61/76/35/378617635.db2.gz XWXSZCZJCQSFEX-GOSISDBHSA-N -1 1 297.354 2.798 20 0 CFADMM CC(C)(C)[C@@H](O)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000331354014 378676837 /nfs/dbraw/zinc/67/68/37/378676837.db2.gz PIEVRSHVPKXVTI-ZETCQYMHSA-N -1 1 296.314 2.700 20 0 CFADMM CC[C@@H]1CCCCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000332302627 378743947 /nfs/dbraw/zinc/74/39/47/378743947.db2.gz JDHNQJZYOPWWDA-CYBMUJFWSA-N -1 1 275.348 2.756 20 0 CFADMM Cc1cnc(C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)c([O-])c1 ZINC000332029067 378719604 /nfs/dbraw/zinc/71/96/04/378719604.db2.gz ZCJOPOKFWYBQDO-TZMCWYRMSA-N -1 1 297.358 2.714 20 0 CFADMM O=C([O-])[C@@H]1CCCN1Cc1ccc(Cl)cc1F ZINC000162533988 378917042 /nfs/dbraw/zinc/91/70/42/378917042.db2.gz OEMZZKHBNYNHSJ-NSHDSACASA-N -1 1 257.692 2.528 20 0 CFADMM C[C@H]1OCC[C@H]1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000164060234 379003839 /nfs/dbraw/zinc/00/38/39/379003839.db2.gz FBIWRBDMDVXULL-YMTOWFKASA-N -1 1 292.356 2.909 20 0 CFADMM COc1cc(C(=O)N[C@@H]2CCC[C@@H]2F)cc(Cl)c1[O-] ZINC000334271766 379012590 /nfs/dbraw/zinc/01/25/90/379012590.db2.gz VVXHKHZFMCBHPB-VHSXEESVSA-N -1 1 287.718 2.675 20 0 CFADMM O=C(Nc1ccsc1)c1c(F)ccc([O-])c1F ZINC000334356070 379146854 /nfs/dbraw/zinc/14/68/54/379146854.db2.gz MCSWRTMOBHWRCV-UHFFFAOYSA-N -1 1 255.245 2.984 20 0 CFADMM C[C@@H]1[C@H](CO)CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000335378865 379189998 /nfs/dbraw/zinc/18/99/98/379189998.db2.gz PJSDTUCEXFDOKV-DOMZBBRYSA-N -1 1 299.370 2.778 20 0 CFADMM O=C(c1ccc(Br)c([O-])c1)N1CCC12CCC2 ZINC000334381735 379197768 /nfs/dbraw/zinc/19/77/68/379197768.db2.gz JUXDKPLQVADZOG-UHFFFAOYSA-N -1 1 296.164 2.923 20 0 CFADMM C[C@@H]1CCN(Cc2cc(F)ccc2F)C[C@@H]1C(=O)[O-] ZINC000335424674 379273448 /nfs/dbraw/zinc/27/34/48/379273448.db2.gz PIBFENGOHMIDAJ-SKDRFNHKSA-N -1 1 269.291 2.507 20 0 CFADMM C[C@H]1CCn2ncc(C(=O)Nc3ccc(F)cc3[O-])c2C1 ZINC000335485518 379382365 /nfs/dbraw/zinc/38/23/65/379382365.db2.gz LHAXEZFWVNBRLX-VIFPVBQESA-N -1 1 289.310 2.562 20 0 CFADMM CCN1CCN(C(=O)c2ccccc2[O-])c2ccccc21 ZINC000171892711 379433287 /nfs/dbraw/zinc/43/32/87/379433287.db2.gz SXNCBVBUYKPUDR-UHFFFAOYSA-N -1 1 282.343 2.879 20 0 CFADMM O=C(NC1(c2ccccc2)CCC1)c1cncc([O-])c1 ZINC000171766715 379397641 /nfs/dbraw/zinc/39/76/41/379397641.db2.gz KNORYXKBATZWLY-UHFFFAOYSA-N -1 1 268.316 2.596 20 0 CFADMM O=S(=O)([N-][C@H]1CC[C@H](F)C1)c1ccc(Cl)s1 ZINC000334503488 379409093 /nfs/dbraw/zinc/40/90/93/379409093.db2.gz OSZJRUPXYKJRLP-BQBZGAKWSA-N -1 1 283.777 2.570 20 0 CFADMM O=C(NC[C@@H]1CCCC1(F)F)c1c(F)ccc([O-])c1F ZINC000334532093 379468809 /nfs/dbraw/zinc/46/88/09/379468809.db2.gz MPXLMPGVQGASIN-ZETCQYMHSA-N -1 1 291.244 2.836 20 0 CFADMM COc1cc(C(=O)NC2CC(C)(F)C2)cc(Cl)c1[O-] ZINC000334535786 379477163 /nfs/dbraw/zinc/47/71/63/379477163.db2.gz HCGOBSAGPVZDTA-UHFFFAOYSA-N -1 1 287.718 2.675 20 0 CFADMM COc1ccccc1C[C@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000267073363 190301694 /nfs/dbraw/zinc/30/16/94/190301694.db2.gz GOAFUSLFVFTLJM-NSHDSACASA-N -1 1 289.297 2.941 20 0 CFADMM Cc1ccc(CS(=O)(=O)[N-]c2ncccc2C)c(F)c1 ZINC000335685956 379721180 /nfs/dbraw/zinc/72/11/80/379721180.db2.gz RGSZKUJHSBRZOC-UHFFFAOYSA-N -1 1 294.351 2.779 20 0 CFADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@@H]1C1CC1 ZINC000334671884 379743928 /nfs/dbraw/zinc/74/39/28/379743928.db2.gz SZCSSPMLLNOEKN-LLVKDONJSA-N -1 1 296.164 2.779 20 0 CFADMM O=C([N-]CCc1cccc(F)c1F)C(F)(F)C(F)F ZINC000267276571 190317489 /nfs/dbraw/zinc/31/74/89/190317489.db2.gz UNRBBQDUAADPRQ-UHFFFAOYSA-N -1 1 285.187 2.524 20 0 CFADMM CCc1ocnc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000335733265 379798976 /nfs/dbraw/zinc/79/89/76/379798976.db2.gz QWPDKXNIIYYGNI-UHFFFAOYSA-N -1 1 266.684 2.848 20 0 CFADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1cnn(C)c1 ZINC000335732997 379799583 /nfs/dbraw/zinc/79/95/83/379799583.db2.gz GSGYUEXWOARQCG-MRVPVSSYSA-N -1 1 279.727 2.521 20 0 CFADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])[C@H]1CCCOC1 ZINC000335755773 379838264 /nfs/dbraw/zinc/83/82/64/379838264.db2.gz XCDXKTHFVRHXJH-ZJUUUORDSA-N -1 1 283.755 2.591 20 0 CFADMM O=C(NC12CCC(CC1)CC2)c1ccc([O-])cc1F ZINC000334740431 379859030 /nfs/dbraw/zinc/85/90/30/379859030.db2.gz LPDSGSGRPGSRFL-UHFFFAOYSA-N -1 1 263.312 2.984 20 0 CFADMM CC(C)[C@@H]1CN(C(=O)c2ncccc2[O-])[C@H]1C(C)C ZINC000334743760 379865060 /nfs/dbraw/zinc/86/50/60/379865060.db2.gz MORBDKQKLMHIMK-FZMZJTMJSA-N -1 1 262.353 2.540 20 0 CFADMM Cc1cccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1F ZINC000335773066 379866046 /nfs/dbraw/zinc/86/60/46/379866046.db2.gz ONBAKMPNKITCGV-UHFFFAOYSA-N -1 1 288.204 2.523 20 0 CFADMM CCC[C@@H](NC(=O)c1cc2cc(C)ccc2o1)c1nn[n-]n1 ZINC000267560340 190338139 /nfs/dbraw/zinc/33/81/39/190338139.db2.gz GZWCJIAGZSTSQM-LLVKDONJSA-N -1 1 299.334 2.526 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCCCS1 ZINC000335213521 380018297 /nfs/dbraw/zinc/01/82/97/380018297.db2.gz CPNSLTVJKRYHHU-SECBINFHSA-N -1 1 273.304 2.895 20 0 CFADMM O=C(N[C@@H]1CCCC(F)(F)C1)c1c([O-])cccc1F ZINC000335876358 380035814 /nfs/dbraw/zinc/03/58/14/380035814.db2.gz UXDBXWUMKARNNB-MRVPVSSYSA-N -1 1 273.254 2.839 20 0 CFADMM CN(CC1(O)CCC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000335871237 380028874 /nfs/dbraw/zinc/02/88/74/380028874.db2.gz FULJJKDQLHYMJN-UHFFFAOYSA-N -1 1 285.343 2.532 20 0 CFADMM CN(C[C@@H]1CCOC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000175433758 380064845 /nfs/dbraw/zinc/06/48/45/380064845.db2.gz FDVUAPQGHOAEQW-LBPRGKRZSA-N -1 1 285.343 2.654 20 0 CFADMM CC[C@H]1[C@H](CO)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000335899268 380073437 /nfs/dbraw/zinc/07/34/37/380073437.db2.gz FMTKSQAXFGHCGP-BBRMVZONSA-N -1 1 299.370 2.778 20 0 CFADMM CC(C)c1cc(C(=O)Nc2ccc(F)cc2[O-])n(C)n1 ZINC000335933308 380122159 /nfs/dbraw/zinc/12/21/59/380122159.db2.gz WGFJDLDJMQNFQZ-UHFFFAOYSA-N -1 1 277.299 2.641 20 0 CFADMM O=C([N-][C@@H]1C[C@H]1c1cccc(F)c1)C(F)(F)C(F)F ZINC000176229247 380199715 /nfs/dbraw/zinc/19/97/15/380199715.db2.gz ZSAFFYYJIKDAAK-DTWKUNHWSA-N -1 1 279.208 2.698 20 0 CFADMM O=C([N-][C@H]1C[C@H]1c1cccc(F)c1)C(F)(F)C(F)F ZINC000176229216 380199958 /nfs/dbraw/zinc/19/99/58/380199958.db2.gz ZSAFFYYJIKDAAK-IUCAKERBSA-N -1 1 279.208 2.698 20 0 CFADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)nc2C)c1 ZINC000176469857 380239578 /nfs/dbraw/zinc/23/95/78/380239578.db2.gz FVBUUEGWTULMLF-UHFFFAOYSA-N -1 1 276.361 2.808 20 0 CFADMM CN(Cc1nc(=O)c2sccc2[n-]1)[C@H]1CC1(C)C ZINC000336517890 380398316 /nfs/dbraw/zinc/39/83/16/380398316.db2.gz WNSXTNZPLXKPNU-VIFPVBQESA-N -1 1 263.366 2.627 20 0 CFADMM Cc1occc1CN(C)C(=O)c1c(F)ccc([O-])c1F ZINC000336601695 380531349 /nfs/dbraw/zinc/53/13/49/380531349.db2.gz IVXOVVSOJQKKGR-UHFFFAOYSA-N -1 1 281.258 2.844 20 0 CFADMM COCC1(C)CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000336615323 380552658 /nfs/dbraw/zinc/55/26/58/380552658.db2.gz GCKSDMJRDZRUMB-UHFFFAOYSA-N -1 1 297.782 2.934 20 0 CFADMM CCc1n[nH]c([N-]S(=O)(=O)c2cccc(Cl)c2)c1C ZINC000336622934 380566919 /nfs/dbraw/zinc/56/69/19/380566919.db2.gz BESFTAORISPZMY-UHFFFAOYSA-N -1 1 299.783 2.735 20 0 CFADMM O=C(Nc1nncs1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180358727 380647834 /nfs/dbraw/zinc/64/78/34/380647834.db2.gz AMQIYGJDKVLMCK-UHFFFAOYSA-N -1 1 289.238 2.515 20 0 CFADMM CSC[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180568342 380678188 /nfs/dbraw/zinc/67/81/88/380678188.db2.gz VIPAGQPATQJRKM-ZETCQYMHSA-N -1 1 293.310 2.892 20 0 CFADMM Cc1ccccc1CS(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000180809015 380701290 /nfs/dbraw/zinc/70/12/90/380701290.db2.gz SXJCIRUPUIPLFT-UHFFFAOYSA-N -1 1 296.779 2.985 20 0 CFADMM C[C@H](Cc1cccs1)NC(=O)c1ccc([O-])cc1F ZINC000181207878 380758581 /nfs/dbraw/zinc/75/85/81/380758581.db2.gz HISGQEDCLILOKQ-SECBINFHSA-N -1 1 279.336 2.954 20 0 CFADMM CC(C)(CO)CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000295471420 380878892 /nfs/dbraw/zinc/87/88/92/380878892.db2.gz QEXHWZAKQKOHQP-UHFFFAOYSA-N -1 1 287.359 2.684 20 0 CFADMM CCSCC[C@H](C)N(C)C(=O)c1ncc(C)cc1[O-] ZINC000358529084 380903997 /nfs/dbraw/zinc/90/39/97/380903997.db2.gz BLDHFEKVGWAYBC-NSHDSACASA-N -1 1 282.409 2.699 20 0 CFADMM FC(F)(F)c1nc(=NCCCOC2CCCC2)s[n-]1 ZINC000347056915 380911606 /nfs/dbraw/zinc/91/16/06/380911606.db2.gz RQZBHAOVTNEBOP-UHFFFAOYSA-N -1 1 295.330 2.740 20 0 CFADMM CCS[C@H]1CCC[C@@H](NC(=O)c2ncc(C)cc2[O-])C1 ZINC000358543733 380913037 /nfs/dbraw/zinc/91/30/37/380913037.db2.gz GJQIFQNRCYGDNW-NEPJUHHUSA-N -1 1 294.420 2.890 20 0 CFADMM Cc1cnc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC000358629743 380978539 /nfs/dbraw/zinc/97/85/39/380978539.db2.gz MLMTUZKJOKVNQK-CHWSQXEVSA-N -1 1 286.306 2.521 20 0 CFADMM CCCC[C@H](CC)CC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000279281768 194365868 /nfs/dbraw/zinc/36/58/68/194365868.db2.gz WXMGRMYCJQAMTL-DSVMPHHWSA-N -1 1 288.395 2.887 20 0 CFADMM O=C(NCCCCCCO)c1cc2ccccc2cc1[O-] ZINC000182216143 381024879 /nfs/dbraw/zinc/02/48/79/381024879.db2.gz BAEZFGHPHFATTA-UHFFFAOYSA-N -1 1 287.359 2.828 20 0 CFADMM Cc1cc([C@H]2CCCN2C(=O)c2ccc([O-])cc2F)no1 ZINC000368523165 381054342 /nfs/dbraw/zinc/05/43/42/381054342.db2.gz CQZDHCSNQIDIRA-CQSZACIVSA-N -1 1 290.294 2.805 20 0 CFADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1Cc2ccccc21 ZINC000354031557 381033575 /nfs/dbraw/zinc/03/35/75/381033575.db2.gz KTGPXJIJHDFSIF-GFCCVEGCSA-N -1 1 295.367 2.839 20 0 CFADMM CC(C)O[N-]C(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000295728925 381039402 /nfs/dbraw/zinc/03/94/02/381039402.db2.gz RELKYMMUKNCMQO-HNNXBMFYSA-N -1 1 294.370 2.636 20 0 CFADMM CSCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289677398 381099098 /nfs/dbraw/zinc/09/90/98/381099098.db2.gz ZCLIPLCNHKQVPD-UHFFFAOYSA-N -1 1 252.311 2.575 20 0 CFADMM Cc1cc([C@H]2CCN(C(=O)c3cncc([O-])c3)C2)cs1 ZINC000368888636 381157242 /nfs/dbraw/zinc/15/72/42/381157242.db2.gz MAPZQCHKLZRIPS-NSHDSACASA-N -1 1 288.372 2.787 20 0 CFADMM CC(C)CO[C@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000289804331 381165952 /nfs/dbraw/zinc/16/59/52/381165952.db2.gz MYYSZMVZSMHMPE-JTQLQIEISA-N -1 1 299.317 2.558 20 0 CFADMM CCn1c2ccc(C)cc2nc1NC(=O)c1cncc([O-])c1 ZINC000182628918 381124366 /nfs/dbraw/zinc/12/43/66/381124366.db2.gz CLEZPPQTCYCOQK-UHFFFAOYSA-N -1 1 296.330 2.718 20 0 CFADMM Cc1cc[nH]c(=O)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182869590 381175691 /nfs/dbraw/zinc/17/56/91/381175691.db2.gz DXQTXGXVIBEHJR-UHFFFAOYSA-N -1 1 278.695 2.707 20 0 CFADMM Cc1ncc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)n1 ZINC000182870841 381177643 /nfs/dbraw/zinc/17/76/43/381177643.db2.gz UIWJIQZRMLAUQM-UHFFFAOYSA-N -1 1 277.711 2.705 20 0 CFADMM CCc1cc(=O)[n-]c(C[N@@H+](CC)[C@H]2CCOC(C)(C)C2)n1 ZINC000290005367 381256788 /nfs/dbraw/zinc/25/67/88/381256788.db2.gz ZKAMTUUMTSOKPP-ZDUSSCGKSA-N -1 1 293.411 2.524 20 0 CFADMM CCCc1nnc([N-]C(=O)c2conc2C2CC2)s1 ZINC000290009183 381259308 /nfs/dbraw/zinc/25/93/08/381259308.db2.gz ZMDXKNUOZGJKBR-UHFFFAOYSA-N -1 1 278.337 2.608 20 0 CFADMM O=C([N-][C@H](c1ccccc1)C1CCOCC1)C(F)(F)F ZINC000369360538 381243872 /nfs/dbraw/zinc/24/38/72/381243872.db2.gz XJJMGIXLGIFUDJ-GFCCVEGCSA-N -1 1 287.281 2.833 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@]2(CCCCO2)C1 ZINC000369698190 381317381 /nfs/dbraw/zinc/31/73/81/381317381.db2.gz UUHAXOPKAABQHL-INIZCTEOSA-N -1 1 293.338 2.707 20 0 CFADMM O=S(=O)([N-]C12CCC(CC1)C2)c1cc(F)ccc1F ZINC000370231068 381408758 /nfs/dbraw/zinc/40/87/58/381408758.db2.gz BOYOPLRNQKUCEJ-UHFFFAOYSA-N -1 1 287.331 2.576 20 0 CFADMM CC(C)C[C@]1(C)CCCN1C(=O)c1ncccc1[O-] ZINC000296415929 381385569 /nfs/dbraw/zinc/38/55/69/381385569.db2.gz XREURSBCQVNSID-HNNXBMFYSA-N -1 1 262.353 2.828 20 0 CFADMM CCN(C(=O)C(=O)c1ccc([O-])cc1)C1CC(C)(C)C1 ZINC000412812197 381458932 /nfs/dbraw/zinc/45/89/32/381458932.db2.gz MJLKPNFVVMZEBW-UHFFFAOYSA-N -1 1 275.348 2.612 20 0 CFADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)C[C@H]1c1ccccc1 ZINC000370550463 381465326 /nfs/dbraw/zinc/46/53/26/381465326.db2.gz WLGCGQRYGRPNAN-JMJZKYOTSA-N -1 1 257.255 2.857 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])C1(CCF)CC1 ZINC000290680118 381520808 /nfs/dbraw/zinc/52/08/08/381520808.db2.gz HTSXTZVGZXDMKV-UHFFFAOYSA-N -1 1 258.680 2.519 20 0 CFADMM [O-]c1ccc(-c2noc([C@@H]3CC3(F)F)n2)c(F)c1 ZINC000296708417 381513913 /nfs/dbraw/zinc/51/39/13/381513913.db2.gz ICEFDOSAGOUPIP-ZETCQYMHSA-N -1 1 256.183 2.704 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@@H](C)c2cnccn2)n1 ZINC000185157105 381549444 /nfs/dbraw/zinc/54/94/44/381549444.db2.gz YQAGCRSPWJMHHK-VIFPVBQESA-N -1 1 276.365 2.778 20 0 CFADMM Cc1nc(S[C@H]2CCC(C)(C)C2=O)[n-]c(=O)c1C ZINC000413000094 381530902 /nfs/dbraw/zinc/53/09/02/381530902.db2.gz MUVXZYFHMNGKGJ-VIFPVBQESA-N -1 1 266.366 2.649 20 0 CFADMM CCC[C@@H](C(=O)[N-]OCCCC(=O)OC)c1ccccc1 ZINC000290818219 381562009 /nfs/dbraw/zinc/56/20/09/381562009.db2.gz ZMUGSBYHNLFDPW-CQSZACIVSA-N -1 1 293.363 2.571 20 0 CFADMM C[C@@H]1C[C@H]1CC(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000355029828 381571670 /nfs/dbraw/zinc/57/16/70/381571670.db2.gz VTLBDYRFVXFLHL-BDAKNGLRSA-N -1 1 291.301 2.761 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H](C2CC2)C1 ZINC000291016050 381632120 /nfs/dbraw/zinc/63/21/20/381632120.db2.gz XIWHUTZAVZVSMJ-LLVKDONJSA-N -1 1 263.312 2.794 20 0 CFADMM C[C@H]1C[C@@H](c2ccsc2)CN1C(=O)c1ncccc1[O-] ZINC000371766000 381698080 /nfs/dbraw/zinc/69/80/80/381698080.db2.gz NROTXVLMAFWGOA-CMPLNLGQSA-N -1 1 288.372 2.867 20 0 CFADMM COCCC(C)(C)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000185841877 381752008 /nfs/dbraw/zinc/75/20/08/381752008.db2.gz WREFHFZZLIEOIB-UHFFFAOYSA-N -1 1 285.771 2.838 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@@H]2CCC[C@@H]21 ZINC000299277633 381880736 /nfs/dbraw/zinc/88/07/36/381880736.db2.gz SGJQWQHKWCEGMH-JKSUJKDBSA-N -1 1 297.354 2.939 20 0 CFADMM C[C@H]1[C@@H](C)N(C(=O)c2c(F)ccc([O-])c2F)C[C@H]1C ZINC000416325958 381885496 /nfs/dbraw/zinc/88/54/96/381885496.db2.gz UBHQPJGMGGXEAE-IWSPIJDZSA-N -1 1 269.291 2.787 20 0 CFADMM CCCC[C@H](CC)C(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC000415634839 381864121 /nfs/dbraw/zinc/86/41/21/381864121.db2.gz JMCUKAXBUCOLQG-JTQLQIEISA-N -1 1 281.356 2.741 20 0 CFADMM CCCC[C@H](CC)C(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC000415634839 381864127 /nfs/dbraw/zinc/86/41/27/381864127.db2.gz JMCUKAXBUCOLQG-JTQLQIEISA-N -1 1 281.356 2.741 20 0 CFADMM C[C@H](C1CC1)n1cc(NC(=O)c2ccccc2[O-])cn1 ZINC000186411917 381903594 /nfs/dbraw/zinc/90/35/94/381903594.db2.gz KIIZCBCEULTLAZ-SNVBAGLBSA-N -1 1 271.320 2.812 20 0 CFADMM Cc1cccc(CS(=O)(=O)[N-]c2cccc(C)n2)c1 ZINC000186582159 381954656 /nfs/dbraw/zinc/95/46/56/381954656.db2.gz RPKIMOGCHSKJCO-UHFFFAOYSA-N -1 1 276.361 2.640 20 0 CFADMM CCOc1cc(C(=O)N[C@H]2C[C@@H]2C)cc(Cl)c1[O-] ZINC000186775434 382010654 /nfs/dbraw/zinc/01/06/54/382010654.db2.gz PRQIEOREUUSCCM-XVKPBYJWSA-N -1 1 269.728 2.583 20 0 CFADMM O=C(NCC1(c2ccccc2)CCC1)c1ncccc1[O-] ZINC000357109219 382012256 /nfs/dbraw/zinc/01/22/56/382012256.db2.gz IAIZMFPGNCIXHE-UHFFFAOYSA-N -1 1 282.343 2.639 20 0 CFADMM C[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)[C@H]1C(=O)[O-] ZINC000300295794 382060382 /nfs/dbraw/zinc/06/03/82/382060382.db2.gz RHESBUNULKPEQK-GXFFZTMASA-N -1 1 299.317 2.973 20 0 CFADMM CN(C)[C@H](C[N-]C(=O)C(F)(F)F)c1ccccc1Cl ZINC000299698868 382029008 /nfs/dbraw/zinc/02/90/08/382029008.db2.gz WXUXIXHWLOFFOI-SNVBAGLBSA-N -1 1 294.704 2.621 20 0 CFADMM O=C(C[C@H]1CCOc2ccccc21)[N-]OCC(F)(F)F ZINC000376789504 382176266 /nfs/dbraw/zinc/17/62/66/382176266.db2.gz JGEJKMSYSUDZSZ-SECBINFHSA-N -1 1 289.253 2.553 20 0 CFADMM CCC(CC)C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000357354461 382129537 /nfs/dbraw/zinc/12/95/37/382129537.db2.gz NEIXDJRJZVVVMH-UHFFFAOYSA-N -1 1 295.326 2.818 20 0 CFADMM CCSc1cccc(/C=C/c2cc(=O)n3[n-]cnc3n2)c1 ZINC000352028729 382139356 /nfs/dbraw/zinc/13/93/56/382139356.db2.gz VLMXQHUZYFLHJW-VOTSOKGWSA-N -1 1 298.371 2.700 20 0 CFADMM CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000187325349 382155244 /nfs/dbraw/zinc/15/52/44/382155244.db2.gz IXLVJYOXOJRHER-HUUCEWRRSA-N -1 1 295.354 2.855 20 0 CFADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)Cc1ccsc1 ZINC000187365456 382164407 /nfs/dbraw/zinc/16/44/07/382164407.db2.gz FCCHDYOFRIFAAQ-LLVKDONJSA-N -1 1 290.388 2.942 20 0 CFADMM COCc1nc(=NCC(C)(C)CC(C)C)s[n-]1 ZINC000357520199 382204590 /nfs/dbraw/zinc/20/45/90/382204590.db2.gz CZNQDDLEZVQAIA-UHFFFAOYSA-N -1 1 257.403 2.591 20 0 CFADMM COC(=O)c1c[n-]c(SCCOc2ccccc2F)n1 ZINC000187594939 382219726 /nfs/dbraw/zinc/21/97/26/382219726.db2.gz IJTMDYMCJPGMDB-UHFFFAOYSA-N -1 1 296.323 2.507 20 0 CFADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000187457736 382187981 /nfs/dbraw/zinc/18/79/81/382187981.db2.gz UCXYLLZERXONNC-JOYOIKCWSA-N -1 1 251.301 2.792 20 0 CFADMM CC[C@@H](C)CO[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000293746702 382261016 /nfs/dbraw/zinc/26/10/16/382261016.db2.gz OTMOAKYYEBQEOZ-ZCFIWIBFSA-N -1 1 279.233 2.951 20 0 CFADMM CSc1ccccc1CN(C)C(=O)c1ncccc1[O-] ZINC000352293300 382263185 /nfs/dbraw/zinc/26/31/85/382263185.db2.gz ALVCKVAJVUBYOR-UHFFFAOYSA-N -1 1 288.372 2.781 20 0 CFADMM CO[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CC[C@H]1C ZINC000187780709 382268442 /nfs/dbraw/zinc/26/84/42/382268442.db2.gz RFPKQIPHTIZCDI-RNCFNFMXSA-N -1 1 283.755 2.543 20 0 CFADMM CCc1cc(=O)[n-]c(SCCOc2ccccc2F)n1 ZINC000188102578 382344540 /nfs/dbraw/zinc/34/45/40/382344540.db2.gz ABKBFLSDYOEMPT-UHFFFAOYSA-N -1 1 294.351 2.643 20 0 CFADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1cnccn1 ZINC000289494958 197375419 /nfs/dbraw/zinc/37/54/19/197375419.db2.gz JYCPJNZJNWMNQO-ZCFIWIBFSA-N -1 1 284.291 2.763 20 0 CFADMM O=c1cc(C2CC2)nc(SCc2cccnc2)[n-]1 ZINC000188133287 382352701 /nfs/dbraw/zinc/35/27/01/382352701.db2.gz JOBWBANKXNREKW-UHFFFAOYSA-N -1 1 259.334 2.747 20 0 CFADMM Cc1cccc(C(C)(C)NC(=O)c2cncc([O-])c2)c1 ZINC000346417285 382353292 /nfs/dbraw/zinc/35/32/92/382353292.db2.gz UKGWATQSLSXXLF-UHFFFAOYSA-N -1 1 270.332 2.761 20 0 CFADMM O=C(C[C@@H]1C=CCC1)Nc1nc(Cl)ccc1[O-] ZINC000188357283 382397908 /nfs/dbraw/zinc/39/79/08/382397908.db2.gz SINGFUSIYSDPNH-MRVPVSSYSA-N -1 1 252.701 2.735 20 0 CFADMM Cc1cnc(C(=O)NCc2ccc3ncccc3c2)c([O-])c1 ZINC000352537397 382384122 /nfs/dbraw/zinc/38/41/22/382384122.db2.gz ULXANAPOPAOAEA-UHFFFAOYSA-N -1 1 293.326 2.574 20 0 CFADMM CC[C@]1(C[N-]C(=O)C(F)(F)F)OCCc2ccccc21 ZINC000378033857 382387626 /nfs/dbraw/zinc/38/76/26/382387626.db2.gz FNEAXLILNSCUJL-CYBMUJFWSA-N -1 1 287.281 2.543 20 0 CFADMM O=C(Nc1ccc(F)cc1NC1CC1)c1cncc([O-])c1 ZINC000346520882 382394991 /nfs/dbraw/zinc/39/49/91/382394991.db2.gz XNHDMSMUPGSASC-UHFFFAOYSA-N -1 1 287.294 2.753 20 0 CFADMM O=C([O-])C[C@H]1CCCN1Cc1cc(Cl)ccc1F ZINC000165677914 322385310 /nfs/dbraw/zinc/38/53/10/322385310.db2.gz DDFUSKNCRNRAKH-LLVKDONJSA-N -1 1 271.719 2.918 20 0 CFADMM CC(C)(CCNC(=O)C(=O)c1ccc([O-])cc1)C1CC1 ZINC000294132721 382427582 /nfs/dbraw/zinc/42/75/82/382427582.db2.gz LEABUIXVSSRXTD-UHFFFAOYSA-N -1 1 275.348 2.517 20 0 CFADMM CCC[C@@](C)(NCc1cccc([O-])c1Cl)C(=O)OC ZINC000294166941 382441507 /nfs/dbraw/zinc/44/15/07/382441507.db2.gz IXWIHQADUIETJV-CQSZACIVSA-N -1 1 285.771 2.867 20 0 CFADMM O=C([N-]C[C@H]1CC[C@H](c2ccccc2)O1)C(F)(F)F ZINC000378132321 382404968 /nfs/dbraw/zinc/40/49/68/382404968.db2.gz PSMKDBZYZBYWPS-GHMZBOCLSA-N -1 1 273.254 2.585 20 0 CFADMM C[C@@H]1CN(C2CC2)C[C@H]1N=c1nc(C2CCCC2)[n-]s1 ZINC000420596279 382418047 /nfs/dbraw/zinc/41/80/47/382418047.db2.gz HGSXHGMTACNQJO-ZWNOBZJWSA-N -1 1 292.452 2.512 20 0 CFADMM O=C(NCCc1cc2ccccc2o1)c1ncccc1[O-] ZINC000352707860 382454153 /nfs/dbraw/zinc/45/41/53/382454153.db2.gz COFFGQRCPONLEL-UHFFFAOYSA-N -1 1 282.299 2.506 20 0 CFADMM CC(F)(F)CCNC(=O)c1ccc(Cl)cc1[O-] ZINC000294193622 382454631 /nfs/dbraw/zinc/45/46/31/382454631.db2.gz LFSFCGKIWDAXQH-UHFFFAOYSA-N -1 1 263.671 2.821 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CC12CCOCC2 ZINC000378554043 382482240 /nfs/dbraw/zinc/48/22/40/382482240.db2.gz ALSXUDTZKAOFMD-JTQLQIEISA-N -1 1 281.739 2.801 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC2(CCC2)CC1 ZINC000308729121 382485528 /nfs/dbraw/zinc/48/55/28/382485528.db2.gz PQYSSBPLXGZODC-UHFFFAOYSA-N -1 1 263.312 2.938 20 0 CFADMM CC[C@@H](C)[C@H](CNC(=O)c1ccc(Cl)cc1[O-])OC ZINC000381377114 382520387 /nfs/dbraw/zinc/52/03/87/382520387.db2.gz KNDYDGLVTLVNDL-RNCFNFMXSA-N -1 1 285.771 2.837 20 0 CFADMM O=C(c1ncccc1[O-])N1C[C@@H]2CCCCCC[C@@H]21 ZINC000366285621 382497308 /nfs/dbraw/zinc/49/73/08/382497308.db2.gz OOUYGSRMDFZXKC-RYUDHWBXSA-N -1 1 260.337 2.582 20 0 CFADMM CCCCc1nnc([N-]C(=O)c2ccnc(F)c2F)s1 ZINC000188981042 382516543 /nfs/dbraw/zinc/51/65/43/382516543.db2.gz LRJPIKWQPPMTLB-UHFFFAOYSA-N -1 1 298.318 2.806 20 0 CFADMM CCCc1nc(C(=O)Nc2c([O-])cccc2F)co1 ZINC000680593949 542341237 /nfs/dbraw/zinc/34/12/37/542341237.db2.gz DSTOMDVBKQQMMK-UHFFFAOYSA-N -1 1 264.256 2.724 20 0 CFADMM CCCC[C@@H](CC)CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366707093 382542695 /nfs/dbraw/zinc/54/26/95/382542695.db2.gz CCIPERXLJZOZNM-CHWSQXEVSA-N -1 1 293.415 2.512 20 0 CFADMM CN(CCOCc1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000383654535 382546225 /nfs/dbraw/zinc/54/62/25/382546225.db2.gz LKOPDQMUMJOFGG-QGZVFWFLSA-N -1 1 299.370 2.961 20 0 CFADMM CN(CCOCc1ccccc1)Cc1ccoc1C(=O)[O-] ZINC000383611617 382546399 /nfs/dbraw/zinc/54/63/99/382546399.db2.gz NNBQYHWJNUCJGB-UHFFFAOYSA-N -1 1 289.331 2.626 20 0 CFADMM CC(C)c1nc(=NCCCCN(C)c2ccccc2)o[n-]1 ZINC000346872467 382554641 /nfs/dbraw/zinc/55/46/41/382554641.db2.gz YUSFYEVFYKACKX-UHFFFAOYSA-N -1 1 288.395 2.943 20 0 CFADMM Cc1cnccc1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000384995956 382564643 /nfs/dbraw/zinc/56/46/43/382564643.db2.gz UQBULCIEDVHKQA-MRXNPFEDSA-N -1 1 282.343 2.574 20 0 CFADMM CC[C@@]1(CO)CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000189222679 382568017 /nfs/dbraw/zinc/56/80/17/382568017.db2.gz OJRJQWSIGKIHGC-SFHVURJKSA-N -1 1 299.370 2.923 20 0 CFADMM COc1ccc(CN2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC000317893121 382531987 /nfs/dbraw/zinc/53/19/87/382531987.db2.gz WFGZFBUDLONTFX-UHFFFAOYSA-N -1 1 297.354 2.952 20 0 CFADMM CCC1(NC(=O)c2cc(F)ccc2[O-])CCCC1 ZINC000382577487 382533246 /nfs/dbraw/zinc/53/32/46/382533246.db2.gz WHKULDZBTFZNKK-UHFFFAOYSA-N -1 1 251.301 2.984 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)s1 ZINC000295213774 382586321 /nfs/dbraw/zinc/58/63/21/382586321.db2.gz PUFTURNNDJEQTI-UHFFFAOYSA-N -1 1 287.328 2.676 20 0 CFADMM CC(C)OCCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000189439969 382609308 /nfs/dbraw/zinc/60/93/08/382609308.db2.gz LDSPDHINMLSPOG-UHFFFAOYSA-N -1 1 268.382 2.967 20 0 CFADMM CC(C)c1nc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)cs1 ZINC000397502480 382633713 /nfs/dbraw/zinc/63/37/13/382633713.db2.gz SUBNNEAWRLCOEX-QWRGUYRKSA-N -1 1 282.409 2.952 20 0 CFADMM CC(C)=CC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000190250017 382659278 /nfs/dbraw/zinc/65/92/78/382659278.db2.gz WWBOYNFMWKHPLY-UHFFFAOYSA-N -1 1 277.748 2.724 20 0 CFADMM CC(C)C1(C)CCN(C(=O)c2ncccc2[O-])CC1 ZINC000190333203 382662744 /nfs/dbraw/zinc/66/27/44/382662744.db2.gz LNZBVXKAIYETLZ-UHFFFAOYSA-N -1 1 262.353 2.686 20 0 CFADMM C[C@@H]1CC[C@@H](c2noc(-c3cc(F)ccc3[O-])n2)O1 ZINC000398393502 382635708 /nfs/dbraw/zinc/63/57/08/382635708.db2.gz YAQAQZTYUFLVHW-HQJQHLMTSA-N -1 1 264.256 2.821 20 0 CFADMM CS[C@H]1CCCC[N@@H+]([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000192694603 382711219 /nfs/dbraw/zinc/71/12/19/382711219.db2.gz YVQGGBJZHOVINW-RYUDHWBXSA-N -1 1 281.425 2.769 20 0 CFADMM COC(=O)c1c[n-]c(SCc2ccc(F)c(F)c2)n1 ZINC000193542683 382720918 /nfs/dbraw/zinc/72/09/18/382720918.db2.gz WEDZQRMVPXMPON-UHFFFAOYSA-N -1 1 284.287 2.767 20 0 CFADMM CSc1ccc(Cl)c(C(=O)Nc2ccncc2[O-])c1 ZINC000336897751 382738724 /nfs/dbraw/zinc/73/87/24/382738724.db2.gz PMOQOXPPZJMYLT-UHFFFAOYSA-N -1 1 294.763 2.837 20 0 CFADMM O=C(Nc1cc(Cl)ccc1[O-])C(=O)c1ccccc1 ZINC000194508146 382746461 /nfs/dbraw/zinc/74/64/61/382746461.db2.gz KBEUOLMQTJBQTF-UHFFFAOYSA-N -1 1 275.691 2.867 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2ccncc2)n1 ZINC000194967391 382758727 /nfs/dbraw/zinc/75/87/27/382758727.db2.gz XTSBWYCVUUKXHY-UHFFFAOYSA-N -1 1 261.350 2.822 20 0 CFADMM CC[N@@H+](CCOc1ccccc1C)Cc1ncccc1O ZINC000576623645 382829736 /nfs/dbraw/zinc/82/97/36/382829736.db2.gz VDNHYENORGMEMD-UHFFFAOYSA-N -1 1 286.375 2.997 20 0 CFADMM CCc1cnccc1CNC(=O)c1c(F)ccc([O-])c1F ZINC000576670626 382831413 /nfs/dbraw/zinc/83/14/13/382831413.db2.gz UARBHPPKYJIMDJ-UHFFFAOYSA-N -1 1 292.285 2.558 20 0 CFADMM CC1([N-]S(=O)(=O)c2sccc2Cl)CCC1 ZINC000576702519 382832827 /nfs/dbraw/zinc/83/28/27/382832827.db2.gz CLVLYFWBVVPBAM-UHFFFAOYSA-N -1 1 265.787 2.622 20 0 CFADMM CC(C)N(Cc1ccco1)Cc1ccoc1C(=O)[O-] ZINC000576710297 382833142 /nfs/dbraw/zinc/83/31/42/382833142.db2.gz FGDDERMYURURHN-UHFFFAOYSA-N -1 1 263.293 2.981 20 0 CFADMM COC1(c2noc(-c3cc(F)ccc3[O-])n2)CCCC1 ZINC000228233204 382845663 /nfs/dbraw/zinc/84/56/63/382845663.db2.gz OPWORGWCEUIHNG-UHFFFAOYSA-N -1 1 278.283 2.997 20 0 CFADMM O=C(NCCCC(F)(F)F)c1ccc([O-])cc1F ZINC000229789155 382853391 /nfs/dbraw/zinc/85/33/91/382853391.db2.gz NWSBYGZBVSTVOU-UHFFFAOYSA-N -1 1 265.206 2.604 20 0 CFADMM COC1(c2noc(-c3ccc([O-])cc3F)n2)CCC1 ZINC000230229353 382857805 /nfs/dbraw/zinc/85/78/05/382857805.db2.gz PHKOLTGSYPANAX-UHFFFAOYSA-N -1 1 264.256 2.607 20 0 CFADMM C[C@H](CC(=O)[O-])N(C)Cc1coc(-c2ccccc2)n1 ZINC000577411670 382858826 /nfs/dbraw/zinc/85/88/26/382858826.db2.gz MQQPTWIDDMNSAX-LLVKDONJSA-N -1 1 274.320 2.637 20 0 CFADMM C[C@H](c1ccccc1Cl)N(CCOCC(=O)[O-])C1CC1 ZINC000578018994 382884134 /nfs/dbraw/zinc/88/41/34/382884134.db2.gz GLMLWOHEGQPASU-LLVKDONJSA-N -1 1 297.782 2.967 20 0 CFADMM Cc1ccc2c(CCNC(=O)c3ncccc3[O-])c[nH]c2c1 ZINC000338078132 382917309 /nfs/dbraw/zinc/91/73/09/382917309.db2.gz CAJQLXIGUCPYTK-UHFFFAOYSA-N -1 1 295.342 2.549 20 0 CFADMM CC1CCC([N-]S(=O)(=O)c2sccc2F)CC1 ZINC000338895539 383078975 /nfs/dbraw/zinc/07/89/75/383078975.db2.gz XJSKASMHAXLEGA-UHFFFAOYSA-N -1 1 277.386 2.744 20 0 CFADMM CC1([N-]S(=O)(=O)c2sccc2F)CCCCC1 ZINC000338870866 383072750 /nfs/dbraw/zinc/07/27/50/383072750.db2.gz ZPBGHYLEIKXIMA-UHFFFAOYSA-N -1 1 277.386 2.888 20 0 CFADMM O=S(=O)([N-][C@H]1CC12CCCCC2)c1sccc1F ZINC000338941218 383091785 /nfs/dbraw/zinc/09/17/85/383091785.db2.gz DAKFZFKSUHPSDI-JTQLQIEISA-N -1 1 289.397 2.888 20 0 CFADMM Cc1cccc(C)c1CS(=O)(=O)[N-]C1(C(F)F)CC1 ZINC000338980231 383107196 /nfs/dbraw/zinc/10/71/96/383107196.db2.gz INLSJKHYNVJGFL-UHFFFAOYSA-N -1 1 289.347 2.521 20 0 CFADMM O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000634502665 383213627 /nfs/dbraw/zinc/21/36/27/383213627.db2.gz WBZURMVGGDVFHG-HTQZYQBOSA-N -1 1 279.645 2.726 20 0 CFADMM O=C([O-])c1coc(=N[C@@H]2CC[C@H](c3cccc(F)c3)C2)[nH]1 ZINC000519407504 383214846 /nfs/dbraw/zinc/21/48/46/383214846.db2.gz MXKVYNNHXOSKEJ-CMPLNLGQSA-N -1 1 290.294 2.682 20 0 CFADMM O=C([O-])[C@H]1CN(CCCc2cccc3ccccc32)CCO1 ZINC000566684356 383201453 /nfs/dbraw/zinc/20/14/53/383201453.db2.gz QZZNHSHZUNFBGX-QGZVFWFLSA-N -1 1 299.370 2.558 20 0 CFADMM O=S(=O)([N-][C@@H]1CCC[C@@H]1F)c1cc(F)ccc1Cl ZINC000339117584 383156044 /nfs/dbraw/zinc/15/60/44/383156044.db2.gz ADIRFGHDYDXEBX-VHSXEESVSA-N -1 1 295.738 2.648 20 0 CFADMM O=S(=O)([N-][C@H]1CCC[C@@H]1F)c1ccc(Cl)s1 ZINC000339121886 383157138 /nfs/dbraw/zinc/15/71/38/383157138.db2.gz AGVYVFRKQUCWEK-BQBZGAKWSA-N -1 1 283.777 2.570 20 0 CFADMM O=S(=O)([N-][C@H]1CCC[C@H]1F)c1ccc(Cl)s1 ZINC000339121892 383157680 /nfs/dbraw/zinc/15/76/80/383157680.db2.gz AGVYVFRKQUCWEK-RQJHMYQMSA-N -1 1 283.777 2.570 20 0 CFADMM O=S(=O)([N-][C@H]1CCC[C@@H]1F)c1cccc(Cl)c1F ZINC000339125380 383157687 /nfs/dbraw/zinc/15/76/87/383157687.db2.gz ZNBZOYLYSCZNEO-IUCAKERBSA-N -1 1 295.738 2.648 20 0 CFADMM Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)sc1Cl ZINC000339122355 383158344 /nfs/dbraw/zinc/15/83/44/383158344.db2.gz LFSSCVCGDSRATC-SFYZADRCSA-N -1 1 297.804 2.879 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3ncccc3C(F)(F)F)c(=O)c21 ZINC000634589412 383250856 /nfs/dbraw/zinc/25/08/56/383250856.db2.gz XYOYCHSTLMISLE-OIBJUYFYSA-N -1 1 283.253 2.849 20 0 CFADMM O=c1[n-]n(C2CCCCC2)c(=O)c2cc(F)c(F)cc12 ZINC000634594476 383254536 /nfs/dbraw/zinc/25/45/36/383254536.db2.gz XNEQFFWEFHEYJD-UHFFFAOYSA-N -1 1 280.274 2.886 20 0 CFADMM CCc1c(=O)n(CCOC)[n-]c1-c1ccc(F)cc1Cl ZINC000634596454 383258254 /nfs/dbraw/zinc/25/82/54/383258254.db2.gz HDFXSHIOIQOKIA-JTQLQIEISA-N -1 1 298.745 2.698 20 0 CFADMM CCc1c(C(C)C)[n-]n([C@H]2CCOC(C)(C)C2)c1=O ZINC000634622121 383281479 /nfs/dbraw/zinc/28/14/79/383281479.db2.gz XCJABXDDJJWHHK-NWDGAFQWSA-N -1 1 266.385 2.824 20 0 CFADMM CCc1c(=O)n(-c2cc(C)ncn2)[n-]c1-c1cccc(C)c1 ZINC000634600572 383263314 /nfs/dbraw/zinc/26/33/14/383263314.db2.gz LWDXRUJTJKBSOF-AWEZNQCLSA-N -1 1 294.358 2.871 20 0 CFADMM CCc1c(C)[n-]n(-c2ccnc3ccccc32)c1=O ZINC000634602765 383264296 /nfs/dbraw/zinc/26/42/96/383264296.db2.gz CIQAPFFCKXSWRK-LLVKDONJSA-N -1 1 253.305 2.984 20 0 CFADMM CCc1cc(=O)n(-c2ccc(OC(F)F)cc2)[n-]1 ZINC000634602495 383264479 /nfs/dbraw/zinc/26/44/79/383264479.db2.gz SRBPFKWYQAQZAF-UHFFFAOYSA-N -1 1 254.236 2.791 20 0 CFADMM C[C@H]1CCc2c(=O)n(CCCOc3ccccc3)[n-]c21 ZINC000634603268 383265969 /nfs/dbraw/zinc/26/59/69/383265969.db2.gz USGNSEFSRUJECU-GXTWGEPZSA-N -1 1 272.348 2.700 20 0 CFADMM C[C@H]1CCc2[n-]n(CC(F)(F)C(F)(F)F)c(=O)c2C1 ZINC000634605001 383266387 /nfs/dbraw/zinc/26/63/87/383266387.db2.gz YHYOPEMQGBVEJR-BQBZGAKWSA-N -1 1 284.228 2.818 20 0 CFADMM C[C@@](O)(CN1Cc2ccccc2-c2ccccc2C1)C(=O)[O-] ZINC000567359020 383266679 /nfs/dbraw/zinc/26/66/79/383266679.db2.gz GCKVYFWKDGKNKO-GOSISDBHSA-N -1 1 297.354 2.505 20 0 CFADMM C[C@](O)(CN1Cc2ccccc2-c2ccccc2C1)C(=O)[O-] ZINC000567359021 383266863 /nfs/dbraw/zinc/26/68/63/383266863.db2.gz GCKVYFWKDGKNKO-SFHVURJKSA-N -1 1 297.354 2.505 20 0 CFADMM C[C@H]1CCc2[n-]n(CC(F)(F)C(F)(F)F)c(=O)c2C1 ZINC000634605002 383267105 /nfs/dbraw/zinc/26/71/05/383267105.db2.gz YHYOPEMQGBVEJR-NKWVEPMBSA-N -1 1 284.228 2.818 20 0 CFADMM Cc1ccc(-c2nc(CN(C)[C@H](C)CC(=O)[O-])co2)cc1 ZINC000520612534 383267454 /nfs/dbraw/zinc/26/74/54/383267454.db2.gz JRGVLHSUCUTILO-GFCCVEGCSA-N -1 1 288.347 2.945 20 0 CFADMM CCc1cc(=O)n(-c2ccnc(C(F)(F)F)c2)[n-]1 ZINC000634618216 383278207 /nfs/dbraw/zinc/27/82/07/383278207.db2.gz JTEVZHNVSKDXJG-UHFFFAOYSA-N -1 1 257.215 2.603 20 0 CFADMM CCc1nc(SC[C@H]2CCCOC2)[n-]c(=O)c1C ZINC000519771069 383234161 /nfs/dbraw/zinc/23/41/61/383234161.db2.gz KIDMDWUIZRAYDZ-JTQLQIEISA-N -1 1 268.382 2.572 20 0 CFADMM C[C@@H](CN1CCc2c(cccc2C(=O)[O-])C1)C(F)(F)F ZINC000567125250 383244217 /nfs/dbraw/zinc/24/42/17/383244217.db2.gz IBVMRUIXUPFYNI-VIFPVBQESA-N -1 1 287.281 2.941 20 0 CFADMM CC(C)OCC(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000339849273 383337817 /nfs/dbraw/zinc/33/78/17/383337817.db2.gz JSZMZVWANJWBCY-UHFFFAOYSA-N -1 1 299.783 2.577 20 0 CFADMM O=C([O-])c1coc(=NCC2(c3ccccc3Cl)CC2)[nH]1 ZINC000567978128 383339180 /nfs/dbraw/zinc/33/91/80/383339180.db2.gz YBNNETKAAPALDQ-UHFFFAOYSA-N -1 1 292.722 2.592 20 0 CFADMM CC(C)c1c(Cc2ccccc2)[n-]n(CC(F)F)c1=O ZINC000634622893 383282603 /nfs/dbraw/zinc/28/26/03/383282603.db2.gz RNNDYCORFVUTQV-CQSZACIVSA-N -1 1 280.318 2.965 20 0 CFADMM Cc1c(=O)n(C[C@@H]2CCSC2)[n-]c1-c1ccccc1 ZINC000634628919 383287249 /nfs/dbraw/zinc/28/72/49/383287249.db2.gz IMOIBTWSIFINIA-NEPJUHHUSA-N -1 1 274.389 2.622 20 0 CFADMM Cc1c(C(=O)[O-])cccc1N1N=C2CCCC[C@@H]2C1=O ZINC000634633072 383291723 /nfs/dbraw/zinc/29/17/23/383291723.db2.gz IZKZHDYIPAPCQI-NSHDSACASA-N -1 1 272.304 2.586 20 0 CFADMM Cc1c(C(=O)[O-])cccc1-n1[nH]c2c(c1=O)CCCC2 ZINC000634633072 383291725 /nfs/dbraw/zinc/29/17/25/383291725.db2.gz IZKZHDYIPAPCQI-NSHDSACASA-N -1 1 272.304 2.586 20 0 CFADMM CCc1c(C)[n-]n(-c2cc(F)cc(F)c2F)c1=O ZINC000634633112 383292425 /nfs/dbraw/zinc/29/24/25/383292425.db2.gz KQVPRDBBFYOBJH-QMMMGPOBSA-N -1 1 256.227 2.853 20 0 CFADMM CC(C)c1nc(=NC[C@@H]2CCCC(F)(F)C2)o[n-]1 ZINC000522014133 383323007 /nfs/dbraw/zinc/32/30/07/383323007.db2.gz XVVFUCKVXLDBBS-SECBINFHSA-N -1 1 259.300 2.852 20 0 CFADMM COC(=O)c1nc[nH]c1NC(=O)C[C@@H]1CCCCC1(C)C ZINC000568408372 383399571 /nfs/dbraw/zinc/39/95/71/383399571.db2.gz LMXQVXWBRHDANM-JTQLQIEISA-N -1 1 293.367 2.741 20 0 CFADMM O=S(=O)([N-]CC1CC=CC1)c1cc(Cl)ccc1F ZINC000528472505 383547377 /nfs/dbraw/zinc/54/73/77/383547377.db2.gz YOEGBTFKOKDFTM-UHFFFAOYSA-N -1 1 289.759 2.724 20 0 CFADMM Cc1cccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])nn2C)c1 ZINC000635300677 383527288 /nfs/dbraw/zinc/52/72/88/383527288.db2.gz WFMQAWDYOKOBED-INIZCTEOSA-N -1 1 299.374 2.764 20 0 CFADMM C[C@H](NCc1cc(C(=O)[O-])nn1C)c1ccc(Cl)cc1 ZINC000635304057 383528058 /nfs/dbraw/zinc/52/80/58/383528058.db2.gz PIZAIHSANJOKFS-VIFPVBQESA-N -1 1 293.754 2.623 20 0 CFADMM Cc1oc([C@H](C)N(C)C[C@H]2CCCCO2)cc1C(=O)[O-] ZINC000569934607 383552795 /nfs/dbraw/zinc/55/27/95/383552795.db2.gz JWRYACAYHYLSSI-CMPLNLGQSA-N -1 1 281.352 2.848 20 0 CFADMM COC(=O)c1cnc(S[C@@H](C)C(=O)C2CCCCC2)[n-]1 ZINC000450900297 383542369 /nfs/dbraw/zinc/54/23/69/383542369.db2.gz FYUQVOBXTCQDFB-VIFPVBQESA-N -1 1 296.392 2.826 20 0 CFADMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)C2CCCCC2)n1 ZINC000450900297 383542373 /nfs/dbraw/zinc/54/23/73/383542373.db2.gz FYUQVOBXTCQDFB-VIFPVBQESA-N -1 1 296.392 2.826 20 0 CFADMM O=S(=O)(CCCCF)[N-]c1ccccc1OC(F)F ZINC000450966832 383572273 /nfs/dbraw/zinc/57/22/73/383572273.db2.gz KDSAXBUTZIHGNR-UHFFFAOYSA-N -1 1 297.298 2.779 20 0 CFADMM CC(C)[C@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC000450970420 383572948 /nfs/dbraw/zinc/57/29/48/383572948.db2.gz NDCZFTOYLJHKDS-ZETCQYMHSA-N -1 1 267.803 2.724 20 0 CFADMM O=S(=O)([N-][C@@H]1C[C@@H]1C1CC1)c1cc(Cl)ccc1F ZINC000341079804 383557207 /nfs/dbraw/zinc/55/72/07/383557207.db2.gz HJVLADSCQDJYBD-MWLCHTKSSA-N -1 1 289.759 2.556 20 0 CFADMM Cc1cnc(S[C@@H](C(=O)NC(C)(C)C)C(C)C)[n-]c1=O ZINC000570815946 383637918 /nfs/dbraw/zinc/63/79/18/383637918.db2.gz DAIAZMMGDBWPBG-SNVBAGLBSA-N -1 1 297.424 2.522 20 0 CFADMM C[C@@H]1C[C@H](Sc2nc(C(F)F)cc(=O)[n-]2)CCO1 ZINC000570986752 383654218 /nfs/dbraw/zinc/65/42/18/383654218.db2.gz MRPXFXWIGNXQDX-RNFRBKRXSA-N -1 1 276.308 2.779 20 0 CFADMM CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000451453213 383618347 /nfs/dbraw/zinc/61/83/47/383618347.db2.gz FVPGDRHPAOSAQE-ZYHUDNBSSA-N -1 1 291.347 2.944 20 0 CFADMM O=C(NC[C@@H]1CCC(F)(F)C1)c1c([O-])cccc1F ZINC000280885451 195015004 /nfs/dbraw/zinc/01/50/04/195015004.db2.gz ZUZCBHWINWSOPR-MRVPVSSYSA-N -1 1 273.254 2.697 20 0 CFADMM C[C@@H]1C[C@H](NC(=O)N=c2[n-]sc3ccccc32)CS1 ZINC000640337134 383765451 /nfs/dbraw/zinc/76/54/51/383765451.db2.gz GMPOUDDZPIYEAD-BDAKNGLRSA-N -1 1 293.417 2.734 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)N1OC2CCC1CC2 ZINC000640342621 383766728 /nfs/dbraw/zinc/76/67/28/383766728.db2.gz 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/nfs/dbraw/zinc/80/66/58/383806658.db2.gz MFLBWLLLRBUGIN-OLZOCXBDSA-N -1 1 283.331 2.767 20 0 CFADMM CCOc1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436510504 383827114 /nfs/dbraw/zinc/82/71/14/383827114.db2.gz DODXERNXAQCTEB-UHFFFAOYSA-N -1 1 285.299 2.612 20 0 CFADMM O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1c([O-])cccc1F ZINC000436516703 383827483 /nfs/dbraw/zinc/82/74/83/383827483.db2.gz VHDQMFKHMFEZEN-TZMCWYRMSA-N -1 1 285.318 2.892 20 0 CFADMM Cc1oc(CN(C)CCOCC2CCC2)cc1C(=O)[O-] ZINC000572773950 383816192 /nfs/dbraw/zinc/81/61/92/383816192.db2.gz MYGSOKYBAWMFEJ-UHFFFAOYSA-N -1 1 281.352 2.535 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc(F)c2)c1 ZINC000436505386 383823790 /nfs/dbraw/zinc/82/37/90/383823790.db2.gz PPQGCUJXUWYYEP-UHFFFAOYSA-N -1 1 289.262 2.570 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)CC[C@H](C)SC)c1 ZINC000436504271 383824560 /nfs/dbraw/zinc/82/45/60/383824560.db2.gz KNQANVRSAGQFHQ-VIFPVBQESA-N -1 1 297.376 2.649 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c1 ZINC000436504694 383824975 /nfs/dbraw/zinc/82/49/75/383824975.db2.gz NUDIXYQKQFWHBQ-ZBEGNZNMSA-N -1 1 291.347 2.800 20 0 CFADMM CCOC(=O)C(C)(C)CSc1nc(CC)c(C)c(=O)[n-]1 ZINC000572424641 383781183 /nfs/dbraw/zinc/78/11/83/383781183.db2.gz NQRQBTKXMPTIBB-UHFFFAOYSA-N -1 1 298.408 2.734 20 0 CFADMM O=C(N[C@@H]1CCCn2nccc21)c1ccc(Cl)cc1[O-] ZINC000636380928 383784390 /nfs/dbraw/zinc/78/43/90/383784390.db2.gz JBNOJJOYDSHYMR-LLVKDONJSA-N -1 1 291.738 2.507 20 0 CFADMM O=C(NC1(C(F)F)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436508909 383826089 /nfs/dbraw/zinc/82/60/89/383826089.db2.gz BJQDDHCCKIGVMQ-UHFFFAOYSA-N -1 1 295.207 2.939 20 0 CFADMM CCc1cc(=O)[n-]c(SCCCC(=O)OC(C)(C)C)n1 ZINC000436211872 383789207 /nfs/dbraw/zinc/78/92/07/383789207.db2.gz SPTVQDQKXZGSPF-UHFFFAOYSA-N -1 1 298.408 2.959 20 0 CFADMM C[C@@]1(CNC(=O)c2cc(Cl)ccc2[O-])CCCC[C@@H]1O ZINC000436569514 383838752 /nfs/dbraw/zinc/83/87/52/383838752.db2.gz FLKIYKBZWTVIIW-ZFWWWQNUSA-N -1 1 297.782 2.717 20 0 CFADMM COc1c(F)cc(F)cc1NC(=O)c1ccccc1[O-] ZINC000436583945 383843903 /nfs/dbraw/zinc/84/39/03/383843903.db2.gz ICNRSOBZMAMYEZ-UHFFFAOYSA-N -1 1 279.242 2.931 20 0 CFADMM COc1cc(C)ccc1CNC(=O)c1cc(F)ccc1[O-] ZINC000436586661 383844803 /nfs/dbraw/zinc/84/48/03/383844803.db2.gz UFRXOEZCLUHPNM-UHFFFAOYSA-N -1 1 289.306 2.778 20 0 CFADMM O=C(N[C@H](CO)C1CCCC1)c1cc2ccccc2cc1[O-] ZINC000436614166 383854846 /nfs/dbraw/zinc/85/48/46/383854846.db2.gz ZLBYVFDGQXKDJJ-MRXNPFEDSA-N -1 1 299.370 2.826 20 0 CFADMM CC1CCC(C)(CNC(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000436636331 383860001 /nfs/dbraw/zinc/86/00/01/383860001.db2.gz QXFSNVLQMUVHRS-UHFFFAOYSA-N -1 1 289.375 2.908 20 0 CFADMM CCn1cc(CN(C)Cc2cccc([O-])c2Cl)cn1 ZINC000646087805 383861055 /nfs/dbraw/zinc/86/10/55/383861055.db2.gz BOZGHGIJRQOKND-UHFFFAOYSA-N -1 1 279.771 2.894 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CC[C@H](c2ccncc2)C1 ZINC000573045980 383861336 /nfs/dbraw/zinc/86/13/36/383861336.db2.gz KVUGIHMHIQKZDV-LBPRGKRZSA-N -1 1 286.306 2.556 20 0 CFADMM O=C(NCC1(C(F)(F)F)CC1)c1cc(F)ccc1[O-] ZINC000436667396 383868602 /nfs/dbraw/zinc/86/86/02/383868602.db2.gz UFTVYUSVSVLQSE-UHFFFAOYSA-N -1 1 277.217 2.604 20 0 CFADMM CO[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])C(C)(C)C ZINC000436720840 383881035 /nfs/dbraw/zinc/88/10/35/383881035.db2.gz FNWDJSLFFAUKKR-LBPRGKRZSA-N -1 1 285.771 2.837 20 0 CFADMM O=C(Nc1ccc(OC(F)F)nc1)c1cc(F)ccc1[O-] ZINC000436723678 383881187 /nfs/dbraw/zinc/88/11/87/383881187.db2.gz OJMGIFCRMXKUBV-UHFFFAOYSA-N -1 1 298.220 2.780 20 0 CFADMM Cc1ccc(NC(=O)c2ccccc2[O-])c2n[nH]cc21 ZINC000436535201 383831360 /nfs/dbraw/zinc/83/13/60/383831360.db2.gz QPXVERHAYYXEHU-UHFFFAOYSA-N -1 1 267.288 2.829 20 0 CFADMM CC(C)(C)c1ncc(NC(=O)c2cc(F)ccc2[O-])cn1 ZINC000436548067 383834462 /nfs/dbraw/zinc/83/44/62/383834462.db2.gz LRPFKVQUOSXTNH-UHFFFAOYSA-N -1 1 289.310 2.871 20 0 CFADMM C[C@@]1(CNC(=O)c2c(F)ccc([O-])c2F)CCCS1 ZINC000281057276 195086236 /nfs/dbraw/zinc/08/62/36/195086236.db2.gz RLUNHAFRJLIZOG-ZDUSSCGKSA-N -1 1 287.331 2.686 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)c2sccc2F)c1 ZINC000436726099 383882548 /nfs/dbraw/zinc/88/25/48/383882548.db2.gz STANPABOHLBKIY-UHFFFAOYSA-N -1 1 295.291 2.632 20 0 CFADMM C[C@@H](c1ccccc1)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436760165 383889477 /nfs/dbraw/zinc/88/94/77/383889477.db2.gz MYQOXRAMQIFMSN-LBPRGKRZSA-N -1 1 283.327 2.795 20 0 CFADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccon1 ZINC000436765028 383892992 /nfs/dbraw/zinc/89/29/92/383892992.db2.gz OKOVOANDGUYXNA-ZETCQYMHSA-N -1 1 266.684 2.525 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000646410415 383988951 /nfs/dbraw/zinc/98/89/51/383988951.db2.gz HJXGSJZCRGXGTH-SDDRHHMPSA-N -1 1 277.368 2.969 20 0 CFADMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000646410399 383989795 /nfs/dbraw/zinc/98/97/95/383989795.db2.gz HAHQFXQSCNURAB-RKDXNWHRSA-N -1 1 277.349 2.536 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](C)CCc1ccccc1F ZINC000646411475 383990993 /nfs/dbraw/zinc/99/09/93/383990993.db2.gz IPIVNESQUWUKFG-VIFPVBQESA-N -1 1 291.326 2.770 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])[C@@H](C)[C@@H](C)O1 ZINC000438384054 383998314 /nfs/dbraw/zinc/99/83/14/383998314.db2.gz GRMOJBQCZLTQMW-KXUCPTDWSA-N -1 1 283.755 2.684 20 0 CFADMM Cc1nc(SCn2cc(Cl)cn2)[n-]c(=O)c1C1CC1 ZINC000641542305 384221284 /nfs/dbraw/zinc/22/12/84/384221284.db2.gz CNJKZRIYOQDOSF-UHFFFAOYSA-N -1 1 296.783 2.968 20 0 CFADMM Cc1ccc(CN[C@H](Cc2cc(C)cc(C)c2)C(=O)[O-])o1 ZINC000277476050 384312814 /nfs/dbraw/zinc/31/28/14/384312814.db2.gz WJKBOXQXWXSMHZ-MRXNPFEDSA-N -1 1 287.359 2.990 20 0 CFADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000281128780 195116054 /nfs/dbraw/zinc/11/60/54/195116054.db2.gz IZOBTMNFUKUKQM-RISCZKNCSA-N -1 1 275.348 2.612 20 0 CFADMM COC1(c2nc(-c3ccc([O-])cc3F)no2)CCC1 ZINC000278190877 384495491 /nfs/dbraw/zinc/49/54/91/384495491.db2.gz PBIHRYOHQUILCF-UHFFFAOYSA-N -1 1 264.256 2.607 20 0 CFADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@]12C[C@@H]1CCC2 ZINC000643369337 384616753 /nfs/dbraw/zinc/61/67/53/384616753.db2.gz XJHKBKIMMZFINL-ZBEGNZNMSA-N -1 1 283.331 2.911 20 0 CFADMM C[C@H]1CN(C)c2ccccc2N(C(=O)c2cncc([O-])c2)C1 ZINC000279457395 384643035 /nfs/dbraw/zinc/64/30/35/384643035.db2.gz OQGVOVISSOZTKC-LBPRGKRZSA-N -1 1 297.358 2.520 20 0 CFADMM O=C(Nc1ccccc1OCC1CC1)c1cncc([O-])c1 ZINC000279495581 384655794 /nfs/dbraw/zinc/65/57/94/384655794.db2.gz SCTGIPOCOSQVCM-UHFFFAOYSA-N -1 1 284.315 2.828 20 0 CFADMM O=C([O-])CC[C@H]1CCCCN1Cc1noc2c1CCCC2 ZINC000643877723 384780881 /nfs/dbraw/zinc/78/08/81/384780881.db2.gz YLQKJGVFXGONAF-GFCCVEGCSA-N -1 1 292.379 2.773 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1cccc2c1CC(=O)CC2 ZINC000644046448 384825831 /nfs/dbraw/zinc/82/58/31/384825831.db2.gz ZFDZJAYEOLAIIC-UHFFFAOYSA-N -1 1 299.301 2.841 20 0 CFADMM CC1(C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)CC1 ZINC000280047050 384862571 /nfs/dbraw/zinc/86/25/71/384862571.db2.gz XTWMZFSRONKMMM-UHFFFAOYSA-N -1 1 264.350 2.521 20 0 CFADMM CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1cc2ccccc2cc1[O-] ZINC000270192024 385010176 /nfs/dbraw/zinc/01/01/76/385010176.db2.gz YDOMZRFZADVGTP-HOCLYGCPSA-N -1 1 299.370 2.778 20 0 CFADMM C[C@@]1(O)CCCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000280700137 385118744 /nfs/dbraw/zinc/11/87/44/385118744.db2.gz WVDYAABKJVDXJL-GOSISDBHSA-N -1 1 299.370 2.923 20 0 CFADMM Cc1nc(SCc2nnc(C(C)(C)C)[nH]2)[n-]c(=O)c1C ZINC000644853957 385105335 /nfs/dbraw/zinc/10/53/35/385105335.db2.gz DVGVRWSRSIWXII-UHFFFAOYSA-N -1 1 293.396 2.507 20 0 CFADMM [O-]c1cccc(CNCc2ncccc2F)c1Cl ZINC000645169209 385222300 /nfs/dbraw/zinc/22/23/00/385222300.db2.gz CZHMEITVJXVSKG-UHFFFAOYSA-N -1 1 266.703 2.870 20 0 CFADMM C[C@@H]1C(=O)CC[C@H]1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000289028184 197217638 /nfs/dbraw/zinc/21/76/38/197217638.db2.gz JCCHTLJEAHTMMI-IUCAKERBSA-N -1 1 290.294 2.739 20 0 CFADMM O=C(Cc1ccc(Cl)s1)[N-]OCCC(F)(F)F ZINC000282632819 385357566 /nfs/dbraw/zinc/35/75/66/385357566.db2.gz GACTZEGRGHMWMU-UHFFFAOYSA-N -1 1 287.690 2.944 20 0 CFADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(F)cc2nn[nH]c21 ZINC000282667075 385366289 /nfs/dbraw/zinc/36/62/89/385366289.db2.gz HFKDEZKGTBGGJE-SCZZXKLOSA-N -1 1 276.315 2.500 20 0 CFADMM CN(CCC1CCOCC1)C(=O)c1c(F)ccc([O-])c1F ZINC000283022893 385424833 /nfs/dbraw/zinc/42/48/33/385424833.db2.gz BCRNPOVPVVKSRV-UHFFFAOYSA-N -1 1 299.317 2.559 20 0 CFADMM CC[C@@](C)(OC)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000288962535 197201517 /nfs/dbraw/zinc/20/15/17/197201517.db2.gz DEWOTXIRRUZBFH-CYBMUJFWSA-N -1 1 266.272 2.853 20 0 CFADMM C[C@@H]1CCC[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@H]1C ZINC000283080979 385433822 /nfs/dbraw/zinc/43/38/22/385433822.db2.gz VPZJJHRYNHSLLO-UHIISALHSA-N -1 1 275.348 2.516 20 0 CFADMM C[C@H](C1CC1)N(C(=O)c1ccc([O-])cc1F)C1CC1 ZINC000272232173 385482174 /nfs/dbraw/zinc/48/21/74/385482174.db2.gz LXFQKJSUKOVOKY-SECBINFHSA-N -1 1 263.312 2.934 20 0 CFADMM CC(=O)Nc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681014126 542398917 /nfs/dbraw/zinc/39/89/17/542398917.db2.gz AWHXMEIGAMGQKI-UHFFFAOYSA-N -1 1 288.278 2.742 20 0 CFADMM COCC[C@H]([N-]c1nc(C(C)C)no1)c1ccco1 ZINC000272408202 385530169 /nfs/dbraw/zinc/53/01/69/385530169.db2.gz BURMVLFTIQAAMQ-JTQLQIEISA-N -1 1 265.313 2.976 20 0 CFADMM Cc1cccc(CNC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681016775 542399739 /nfs/dbraw/zinc/39/97/39/542399739.db2.gz GDOWLCOYIBMVKI-UHFFFAOYSA-N -1 1 259.280 2.770 20 0 CFADMM O=C(Nc1cccc(-c2nnco2)c1)c1ccc([O-])c(F)c1 ZINC000681019185 542400565 /nfs/dbraw/zinc/40/05/65/542400565.db2.gz SMECIDLZMDAYLU-UHFFFAOYSA-N -1 1 299.261 2.834 20 0 CFADMM CC(C)Oc1ncccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681020206 542400858 /nfs/dbraw/zinc/40/08/58/542400858.db2.gz XPXVKTOGEPUJFL-UHFFFAOYSA-N -1 1 290.294 2.966 20 0 CFADMM C[C@H](c1ccccc1F)N1CCC[C@@H](c2n[n-]c(=N)o2)C1 ZINC000639825645 385727167 /nfs/dbraw/zinc/72/71/67/385727167.db2.gz PIMMXRZHRVLFKJ-GHMZBOCLSA-N -1 1 290.342 2.562 20 0 CFADMM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2c([O-])cccc2F)CCO1 ZINC000274663598 385844714 /nfs/dbraw/zinc/84/47/14/385844714.db2.gz 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C[C@@H]1CCCC[C@@H]1CCNC(=O)C(=O)c1ccc([O-])cc1 ZINC000437002864 394042850 /nfs/dbraw/zinc/04/28/50/394042850.db2.gz QSURGSVTULNVPV-CHWSQXEVSA-N -1 1 289.375 2.908 20 0 CFADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(O)c2F)c1 ZINC000127883109 394058679 /nfs/dbraw/zinc/05/86/79/394058679.db2.gz SRCXFRBIRFNWMV-UHFFFAOYSA-N -1 1 299.298 2.780 20 0 CFADMM C[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)c1nccs1 ZINC000438880786 394085143 /nfs/dbraw/zinc/08/51/43/394085143.db2.gz AAZHXTMRJPZDQE-ZETCQYMHSA-N -1 1 298.314 2.660 20 0 CFADMM CN(C(=O)c1ccc(O)cc1[O-])c1cccc2cccnc21 ZINC000684934452 542873532 /nfs/dbraw/zinc/87/35/32/542873532.db2.gz MYCUXOYWEUIIRK-UHFFFAOYSA-N -1 1 294.310 2.923 20 0 CFADMM C/C=C\C[C@H](CO)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436915598 394033694 /nfs/dbraw/zinc/03/36/94/394033694.db2.gz PEKNXPXUXJYBIP-PYLYLYNFSA-N -1 1 285.343 2.602 20 0 CFADMM CCCCC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436912917 394033847 /nfs/dbraw/zinc/03/38/47/394033847.db2.gz FAIOVUFWMWZCGD-UHFFFAOYSA-N -1 1 294.742 2.959 20 0 CFADMM CCCCC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436912917 394033850 /nfs/dbraw/zinc/03/38/50/394033850.db2.gz FAIOVUFWMWZCGD-UHFFFAOYSA-N -1 1 294.742 2.959 20 0 CFADMM Cc1ccccc1C[C@@H](C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436913083 394033945 /nfs/dbraw/zinc/03/39/45/394033945.db2.gz YTFYMNFSUKWDTP-CYBMUJFWSA-N -1 1 297.354 2.631 20 0 CFADMM CC[C@@H](C[C@@H](C)CO)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436905343 394034071 /nfs/dbraw/zinc/03/40/71/394034071.db2.gz NVMWSFMHTFCXKG-KOLCDFICSA-N -1 1 285.771 2.573 20 0 CFADMM CC[C@@H](CS(=O)(=O)[N-]c1cccc(Cl)c1F)OC ZINC000421140060 394176812 /nfs/dbraw/zinc/17/68/12/394176812.db2.gz MGZPEKITFBHNNI-QMMMGPOBSA-N -1 1 295.763 2.646 20 0 CFADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1F ZINC000421141131 394176894 /nfs/dbraw/zinc/17/68/94/394176894.db2.gz ONMJNGACBKBMGI-NSHDSACASA-N -1 1 289.372 2.629 20 0 CFADMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000282023606 394111563 /nfs/dbraw/zinc/11/15/63/394111563.db2.gz XNPKJIUXXFXZAD-NXEZZACHSA-N -1 1 298.770 2.974 20 0 CFADMM Cc1csc([C@H](C)CNC(=O)c2c([O-])cccc2F)n1 ZINC000131895846 394142783 /nfs/dbraw/zinc/14/27/83/394142783.db2.gz YFWJXGKXVCUGKN-MRVPVSSYSA-N -1 1 294.351 2.830 20 0 CFADMM CCOc1cc(C(=O)[N-]c2nc(C(C)C)cs2)on1 ZINC000448770628 394182767 /nfs/dbraw/zinc/18/27/67/394182767.db2.gz MJXHJYNDILKFMW-UHFFFAOYSA-N -1 1 281.337 2.906 20 0 CFADMM C[C@@H]1CC[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000132943176 394166198 /nfs/dbraw/zinc/16/61/98/394166198.db2.gz SVTIWRHKSKUJRD-PSASIEDQSA-N -1 1 253.729 2.964 20 0 CFADMM CCC[C@@H](NC(=O)CC1(C)CCCCC1)c1nn[n-]n1 ZINC000133425388 394175774 /nfs/dbraw/zinc/17/57/74/394175774.db2.gz GCGYASZBBWMNPK-LLVKDONJSA-N -1 1 279.388 2.518 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1F ZINC000134612390 394202516 /nfs/dbraw/zinc/20/25/16/394202516.db2.gz VYTAGMWLJLOYBY-UHFFFAOYSA-N -1 1 281.308 2.641 20 0 CFADMM CCCc1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)[nH]n1 ZINC000135009067 394208523 /nfs/dbraw/zinc/20/85/23/394208523.db2.gz BAYCYKPBEYFUJT-UHFFFAOYSA-N -1 1 297.355 2.611 20 0 CFADMM CCC[C@@H](NC(=O)C/C=C/c1ccc(C)cc1)c1nn[n-]n1 ZINC000136649759 394234952 /nfs/dbraw/zinc/23/49/52/394234952.db2.gz WBPRXBFUPRVTJG-YVARQFDVSA-N -1 1 299.378 2.569 20 0 CFADMM CC[C@H](C)[C@H](O)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000134278560 394192614 /nfs/dbraw/zinc/19/26/14/394192614.db2.gz LGIDKLBRPFVOAI-MEDUHNTESA-N -1 1 287.359 2.682 20 0 CFADMM C[C@H]1CN(C(=O)c2ncccc2[O-])[C@H]1c1ccccc1 ZINC000153914781 394293907 /nfs/dbraw/zinc/29/39/07/394293907.db2.gz GDEVMXZISIDZMA-XHDPSFHLSA-N -1 1 268.316 2.620 20 0 CFADMM C[C@@H](c1ccco1)N(C)C(=O)c1ccc([O-])cc1F ZINC000154787215 394302511 /nfs/dbraw/zinc/30/25/11/394302511.db2.gz ZDFHPRQMDGYIEE-VIFPVBQESA-N -1 1 263.268 2.958 20 0 CFADMM CCC[C@H]1SCCN1C(=O)c1ccc([O-])cc1F ZINC000154897516 394305031 /nfs/dbraw/zinc/30/50/31/394305031.db2.gz GJXSWIJPDXGCOV-GFCCVEGCSA-N -1 1 269.341 2.847 20 0 CFADMM O=S(=O)([N-]C(C1CC1)C1CC1)c1sccc1Cl ZINC000451011696 394346969 /nfs/dbraw/zinc/34/69/69/394346969.db2.gz DQLKISYJXAIQEW-UHFFFAOYSA-N -1 1 291.825 2.868 20 0 CFADMM CC[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)C(F)F ZINC000451079488 394355721 /nfs/dbraw/zinc/35/57/21/394355721.db2.gz HOFHHFMDLXEMEM-JTQLQIEISA-N -1 1 297.754 2.803 20 0 CFADMM CC[C@@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)C(F)F ZINC000451079490 394355859 /nfs/dbraw/zinc/35/58/59/394355859.db2.gz HOFHHFMDLXEMEM-SNVBAGLBSA-N -1 1 297.754 2.803 20 0 CFADMM CC[C@H]([N-]S(=O)(=O)Cc1ccc(C)c(C)c1)C(F)F ZINC000451078915 394355955 /nfs/dbraw/zinc/35/59/55/394355955.db2.gz GMXSILIMGIGRQN-LBPRGKRZSA-N -1 1 291.363 2.767 20 0 CFADMM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000451173284 394364450 /nfs/dbraw/zinc/36/44/50/394364450.db2.gz RGFMCGFFYDQPDU-APPZFPTMSA-N -1 1 279.814 2.868 20 0 CFADMM Cc1cnc(S[C@H]2C[C@@H](C)O[C@@H](C)C2)[n-]c1=O ZINC000519653734 394373724 /nfs/dbraw/zinc/37/37/24/394373724.db2.gz SNPZUIYOOVKCQD-MYJAWHEDSA-N -1 1 254.355 2.539 20 0 CFADMM C[C@@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccco1 ZINC000528138038 394395778 /nfs/dbraw/zinc/39/57/78/394395778.db2.gz IAPPELOSVCOLOO-LURJTMIESA-N -1 1 288.229 2.549 20 0 CFADMM C[C@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccco1 ZINC000528138041 394396112 /nfs/dbraw/zinc/39/61/12/394396112.db2.gz IAPPELOSVCOLOO-ZCFIWIBFSA-N -1 1 288.229 2.549 20 0 CFADMM CO[C@H](C)c1nc(=NCC[C@@H]2CC=CCC2)s[n-]1 ZINC000528183801 394399951 /nfs/dbraw/zinc/39/99/51/394399951.db2.gz ULGWJRIUXRLSQG-GHMZBOCLSA-N -1 1 267.398 2.826 20 0 CFADMM O=C([O-])[C@@H](c1ccccc1F)N1CCC(F)(F)CC1 ZINC000530171762 394467072 /nfs/dbraw/zinc/46/70/72/394467072.db2.gz DRWUKEOOGQBGEV-LLVKDONJSA-N -1 1 273.254 2.683 20 0 CFADMM CCc1noc(CC)c1CC(=O)Nc1cccc(F)c1[O-] ZINC000530005484 394441970 /nfs/dbraw/zinc/44/19/70/394441970.db2.gz LGQLANVWYBWKNW-UHFFFAOYSA-N -1 1 292.310 2.825 20 0 CFADMM CO[C@H]1CCCC[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530007070 394442123 /nfs/dbraw/zinc/44/21/23/394442123.db2.gz ZJRHOOPYJKYTAL-SKDRFNHKSA-N -1 1 267.300 2.675 20 0 CFADMM O=C(NC1(C2CC2)CC1)c1ccc(Cl)cc1[O-] ZINC000538784243 394614877 /nfs/dbraw/zinc/61/48/77/394614877.db2.gz JBDBXUCLCNDEPA-UHFFFAOYSA-N -1 1 251.713 2.718 20 0 CFADMM Cc1cccc(CN(CCc2ccccc2)CC(=O)[O-])n1 ZINC000555701418 394981376 /nfs/dbraw/zinc/98/13/76/394981376.db2.gz LOTPXXHGLLFLBG-UHFFFAOYSA-N -1 1 284.359 2.519 20 0 CFADMM Cc1ccc2nc(CN=c3[n-]c(C4CCC4)no3)[nH]c2c1 ZINC000556201577 394994302 /nfs/dbraw/zinc/99/43/02/394994302.db2.gz SLLAGGWYRGOLRQ-UHFFFAOYSA-N -1 1 283.335 2.556 20 0 CFADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cnc[nH]2)c(C)c1C ZINC000558594767 395065668 /nfs/dbraw/zinc/06/56/68/395065668.db2.gz BPHXNVMDZFIVFC-UHFFFAOYSA-N -1 1 293.392 2.753 20 0 CFADMM Cc1cc(CC(=O)Nc2ccc([O-])c(Cl)c2)no1 ZINC000179012602 543005205 /nfs/dbraw/zinc/00/52/05/543005205.db2.gz NKCXSTVOGSAFCM-UHFFFAOYSA-N -1 1 266.684 2.523 20 0 CFADMM Cc1cnc(CCCC(=O)Nc2c([O-])cccc2F)o1 ZINC000648940543 395369906 /nfs/dbraw/zinc/36/99/06/395369906.db2.gz JJGSEOXKSMUQOI-UHFFFAOYSA-N -1 1 278.283 2.789 20 0 CFADMM C[C@H](CNC(=O)c1cc(F)ccc1[O-])CC(F)F ZINC000648962148 395377141 /nfs/dbraw/zinc/37/71/41/395377141.db2.gz SKKJIWRRXUEMNP-ZETCQYMHSA-N -1 1 261.243 2.552 20 0 CFADMM CC(C)c1cnc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)s1 ZINC000647461447 395341856 /nfs/dbraw/zinc/34/18/56/395341856.db2.gz PWKIBJZSSYGUQV-QWRGUYRKSA-N -1 1 282.409 2.809 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])CC2(CCCC2)O1 ZINC000649179598 395448736 /nfs/dbraw/zinc/44/87/36/395448736.db2.gz PHPRDVQXPHVAFM-LLVKDONJSA-N -1 1 293.338 2.705 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000647816581 395440454 /nfs/dbraw/zinc/44/04/54/395440454.db2.gz LWVZJYGMGYOUCA-UHFFFAOYSA-N -1 1 289.335 2.853 20 0 CFADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1c(F)ccc([O-])c1F ZINC000649167949 395445443 /nfs/dbraw/zinc/44/54/43/395445443.db2.gz YYOKOTKOGCKSJG-IWSPIJDZSA-N -1 1 267.275 2.589 20 0 CFADMM CC(C)c1nc(=NC2CCC(OC(F)F)CC2)o[n-]1 ZINC000649522784 395516641 /nfs/dbraw/zinc/51/66/41/395516641.db2.gz NJOSDKPQSQWQHC-UHFFFAOYSA-N -1 1 275.299 2.577 20 0 CFADMM CCOc1cc(C(=O)NCCC2CC2)cc(Cl)c1[O-] ZINC000186838221 543055366 /nfs/dbraw/zinc/05/53/66/543055366.db2.gz BEGBFDQNDMFQQL-UHFFFAOYSA-N -1 1 283.755 2.974 20 0 CFADMM CCc1nnc([N-]C(=O)c2coc(C3CCC3)n2)s1 ZINC000193799488 543091517 /nfs/dbraw/zinc/09/15/17/543091517.db2.gz FWPIODZGIOEEIY-UHFFFAOYSA-N -1 1 278.337 2.608 20 0 CFADMM Cc1ncccc1CN1CCc2c(cccc2C(=O)[O-])C1 ZINC000315442549 413098134 /nfs/dbraw/zinc/09/81/34/413098134.db2.gz XLCZUXBKLVEPCV-UHFFFAOYSA-N -1 1 282.343 2.647 20 0 CFADMM O=C([O-])C[C@@H]1CCCCN1Cc1ccn(-c2ccccc2)n1 ZINC000314951072 413099215 /nfs/dbraw/zinc/09/92/15/413099215.db2.gz CIZCFKGEUGTILZ-INIZCTEOSA-N -1 1 299.374 2.702 20 0 CFADMM O=C([O-])[C@H]1CN(CC2=CCCC2)Cc2ccccc21 ZINC000401021768 413160368 /nfs/dbraw/zinc/16/03/68/413160368.db2.gz HLWBHCZGTYOAEV-HNNXBMFYSA-N -1 1 257.333 2.781 20 0 CFADMM Cc1cc(=O)n(-c2ccccc2Br)[n-]1 ZINC000102361752 397594057 /nfs/dbraw/zinc/59/40/57/397594057.db2.gz XVRYAQDFQZBVAX-UHFFFAOYSA-N -1 1 253.099 2.562 20 0 CFADMM Cc1noc(C)c1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000109226778 397598312 /nfs/dbraw/zinc/59/83/12/397598312.db2.gz JVUVZVVQRKYHGS-UHFFFAOYSA-N -1 1 280.711 2.580 20 0 CFADMM CCc1c(C)[n-]n(CCCOc2ccccc2)c1=O ZINC000110459494 397599187 /nfs/dbraw/zinc/59/91/87/397599187.db2.gz RIWPJRBNILFHSR-AWEZNQCLSA-N -1 1 260.337 2.700 20 0 CFADMM CC[C@@H](C(=O)[O-])N(C)Cc1ncc(Cl)cc1Cl ZINC000650517315 397818598 /nfs/dbraw/zinc/81/85/98/397818598.db2.gz FWXNAEDCNCPRNG-JTQLQIEISA-N -1 1 277.151 2.683 20 0 CFADMM C[C@@]12CN(C(=O)c3ccc([O-])c(F)c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000650809990 413185707 /nfs/dbraw/zinc/18/57/07/413185707.db2.gz QSFQHMZMVHDKFS-DAWNXDAASA-N -1 1 287.334 2.816 20 0 CFADMM CC[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])[C@@H](CC)CO1 ZINC000403946826 413187554 /nfs/dbraw/zinc/18/75/54/413187554.db2.gz XJDBJFVRJKASME-NWDGAFQWSA-N -1 1 281.327 2.561 20 0 CFADMM CC[C@@H](C)[C@@H](OC)C(=O)Nc1ccc(F)cc1[O-] ZINC000356560578 155302087 /nfs/dbraw/zinc/30/20/87/155302087.db2.gz ADRQQCCKBPGBPP-PRHODGIISA-N -1 1 255.289 2.531 20 0 CFADMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000356625041 155320426 /nfs/dbraw/zinc/32/04/26/155320426.db2.gz FGAREHJNDZROOC-OUAUKWLOSA-N -1 1 293.436 2.646 20 0 CFADMM C[C@@H](F)CCNC(=O)c1ccc(Br)c([O-])c1 ZINC000356707137 155337838 /nfs/dbraw/zinc/33/78/38/155337838.db2.gz KYZKSZBSQPQXLO-SSDOTTSWSA-N -1 1 290.132 2.633 20 0 CFADMM CCCOc1ccccc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001243128185 782002844 /nfs/dbraw/zinc/00/28/44/782002844.db2.gz VODOWRHVAJUQGO-UHFFFAOYSA-N -1 1 295.338 2.955 20 0 CFADMM CC[C@@H]([N-]S(=O)(=O)C[C@H](C)CC(F)(F)F)C(F)F ZINC000656998737 413286725 /nfs/dbraw/zinc/28/67/25/413286725.db2.gz SSOSKPVSWYDNQQ-RNFRBKRXSA-N -1 1 297.289 2.538 20 0 CFADMM COC(=O)c1c(C)ccnc1-c1cc(F)ccc1[O-] ZINC001240693356 782009265 /nfs/dbraw/zinc/00/92/65/782009265.db2.gz ONHCXNYJVMIUIB-UHFFFAOYSA-N -1 1 261.252 2.688 20 0 CFADMM [O-]c1ccc(F)cc1-c1ncnc2cnc(F)cc21 ZINC001240693710 782009319 /nfs/dbraw/zinc/00/93/19/782009319.db2.gz WDOMQAYIXXHXNZ-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@H](C)[C@@H]3C)cnc2n1 ZINC000177010527 292304605 /nfs/dbraw/zinc/30/46/05/292304605.db2.gz SOZISKIWAPRBFK-ONGXEEELSA-N -1 1 285.347 2.514 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@H](C)[C@@H]1C)c2=O ZINC000177010527 292304607 /nfs/dbraw/zinc/30/46/07/292304607.db2.gz SOZISKIWAPRBFK-ONGXEEELSA-N -1 1 285.347 2.514 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2cc(CCC(C)C)[nH]n2)o1 ZINC000345687486 154239974 /nfs/dbraw/zinc/23/99/74/154239974.db2.gz FHIQYPHERNXNRR-UHFFFAOYSA-N -1 1 297.380 2.701 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N3C[C@H]4CCCC[C@H]43)cnc2n1 ZINC000367756699 292305557 /nfs/dbraw/zinc/30/55/57/292305557.db2.gz HISRRJSUPPMVAM-BXUZGUMPSA-N -1 1 297.358 2.658 20 0 CFADMM Cc1ccc2c(=O)c(C(=O)N3C[C@H]4CCCC[C@H]43)c[n-]c2n1 ZINC000367756699 292305559 /nfs/dbraw/zinc/30/55/59/292305559.db2.gz HISRRJSUPPMVAM-BXUZGUMPSA-N -1 1 297.358 2.658 20 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299.370 2.923 20 0 CFADMM COc1ccc(-c2nc(-c3ccc(F)cn3)no2)c([O-])c1 ZINC000094051359 265212310 /nfs/dbraw/zinc/21/23/10/265212310.db2.gz BTEWHOVASAPIOC-UHFFFAOYSA-N -1 1 287.250 2.652 20 0 CFADMM [O-]c1ccc(-c2nc(-c3ccc(O)cc3)no2)c(F)c1 ZINC000230225675 270259313 /nfs/dbraw/zinc/25/93/13/270259313.db2.gz VCUIHPQWDXVUQP-UHFFFAOYSA-N -1 1 272.235 2.954 20 0 CFADMM O=C(Nc1cncnc1)c1ccc2ccccc2c1[O-] ZINC000231774015 270261600 /nfs/dbraw/zinc/26/16/00/270261600.db2.gz GBYWUIRVYDUPIH-UHFFFAOYSA-N -1 1 265.272 2.588 20 0 CFADMM C[C@@H](CC(F)(F)F)NC(=O)c1ccc([O-])cc1F ZINC000231901948 270261696 /nfs/dbraw/zinc/26/16/96/270261696.db2.gz KQYVBGCGJGSTHF-LURJTMIESA-N -1 1 265.206 2.602 20 0 CFADMM CO[C@H](C)c1nc(=N[C@H]2C[C@@]2(C)C(C)C)s[n-]1 ZINC000397198846 270315770 /nfs/dbraw/zinc/31/57/70/270315770.db2.gz UVJPEQKTVXIDSF-PTRXPTGYSA-N -1 1 255.387 2.514 20 0 CFADMM C[C@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[O-])CS1 ZINC000397871732 270319791 /nfs/dbraw/zinc/31/97/91/270319791.db2.gz 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/nfs/dbraw/zinc/68/98/33/533689833.db2.gz QAJAYOPBXJYMGI-AWEZNQCLSA-N -1 1 289.331 2.902 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)[n-]1 ZINC000415634384 276301362 /nfs/dbraw/zinc/30/13/62/276301362.db2.gz BQQJPCYENQFTRT-OUAUKWLOSA-N -1 1 293.367 2.597 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000415634384 276301363 /nfs/dbraw/zinc/30/13/63/276301363.db2.gz BQQJPCYENQFTRT-OUAUKWLOSA-N -1 1 293.367 2.597 20 0 CFADMM CCc1cccc2c1OCC[C@H]2NC(=O)c1cncc([O-])c1 ZINC000264899221 276678541 /nfs/dbraw/zinc/67/85/41/276678541.db2.gz WVSUAXNYGGNWLH-OAHLLOKOSA-N -1 1 298.342 2.603 20 0 CFADMM CC(C)(C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000050348891 277135371 /nfs/dbraw/zinc/13/53/71/277135371.db2.gz CEQSWCYXGHXEAP-UHFFFAOYSA-N -1 1 262.353 2.686 20 0 CFADMM CC(C)C[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000131922667 277448751 /nfs/dbraw/zinc/44/87/51/277448751.db2.gz QXYZLVGZLZPNHI-LBPRGKRZSA-N -1 1 262.353 2.828 20 0 CFADMM C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])c2c(O)cccc21 ZINC000186309740 277747627 /nfs/dbraw/zinc/74/76/27/277747627.db2.gz WBGUFQOAMCLVLQ-SNVBAGLBSA-N -1 1 299.326 2.957 20 0 CFADMM CC(C)[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCCO1 ZINC000294316552 277956410 /nfs/dbraw/zinc/95/64/10/277956410.db2.gz IMVSIROPJWKYME-CQSZACIVSA-N -1 1 297.782 2.933 20 0 CFADMM CC1(C)COCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000048946253 278352315 /nfs/dbraw/zinc/35/23/15/278352315.db2.gz KWDZMBGWEXCMIA-UHFFFAOYSA-N -1 1 285.343 2.796 20 0 CFADMM C[C@@H]1CN(C(=O)c2ccccc2[O-])c2ccccc2O1 ZINC000335293225 288048781 /nfs/dbraw/zinc/04/87/81/288048781.db2.gz RVUVXCGZLDNBEX-LLVKDONJSA-N -1 1 269.300 2.820 20 0 CFADMM C[C@@H]1C[C@@H](c2ccsc2)CN1C(=O)c1ncccc1[O-] ZINC000371766003 278934525 /nfs/dbraw/zinc/93/45/25/278934525.db2.gz NROTXVLMAFWGOA-ZYHUDNBSSA-N -1 1 288.372 2.867 20 0 CFADMM Cc1cnc(C(=O)N[C@H]2CCc3cc(F)ccc32)c([O-])c1 ZINC000358597478 279009812 /nfs/dbraw/zinc/00/98/12/279009812.db2.gz GVGPAZVOUODSCT-ZDUSSCGKSA-N -1 1 286.306 2.652 20 0 CFADMM C[C@@]1(NC(=O)c2ccc(Cl)cc2[O-])CCO[C@@H]1C1CC1 ZINC000436861389 279170886 /nfs/dbraw/zinc/17/08/86/279170886.db2.gz UEWHDKZRYPHUHW-UKRRQHHQSA-N -1 1 295.766 2.733 20 0 CFADMM CC(C)Cc1nc(=N[C@H](C)CC(=O)OC(C)(C)C)s[n-]1 ZINC000355409267 279246476 /nfs/dbraw/zinc/24/64/76/279246476.db2.gz DEBAORYPKVGAKV-SNVBAGLBSA-N -1 1 299.440 2.691 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@H]1c1ccccc1 ZINC000109042186 280231567 /nfs/dbraw/zinc/23/15/67/280231567.db2.gz QTJZWFQAYGAJRO-HNNXBMFYSA-N -1 1 268.316 2.765 20 0 CFADMM O=C(NCCCOCC1CC1)c1ccc(Cl)cc1[O-] ZINC000073068782 280491988 /nfs/dbraw/zinc/49/19/88/280491988.db2.gz FIOQQFFZHAGOHQ-UHFFFAOYSA-N -1 1 283.755 2.592 20 0 CFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000074927796 280508502 /nfs/dbraw/zinc/50/85/02/280508502.db2.gz WWERFNPRFVEJNA-UHFFFAOYSA-N -1 1 291.328 2.525 20 0 CFADMM O=S(=O)([N-]C1CCCC1)c1cc(Cl)ccc1F ZINC000074936735 280508545 /nfs/dbraw/zinc/50/85/45/280508545.db2.gz UAGKBSRHXHHKPA-UHFFFAOYSA-N -1 1 277.748 2.700 20 0 CFADMM CC(=O)c1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000080001496 280536791 /nfs/dbraw/zinc/53/67/91/280536791.db2.gz RXCQCZDZOXASQW-UHFFFAOYSA-N -1 1 273.263 2.986 20 0 CFADMM C[C@H](c1cccnc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000094067932 280578038 /nfs/dbraw/zinc/57/80/38/280578038.db2.gz GSXXSHUIEXOWOF-SNVBAGLBSA-N -1 1 274.295 2.760 20 0 CFADMM C[C@H]1CCCC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000118947412 280604651 /nfs/dbraw/zinc/60/46/51/280604651.db2.gz OUFPGDZBQKODEH-ONGXEEELSA-N -1 1 251.301 2.840 20 0 CFADMM Cc1cccc(CCNC(=O)c2c([O-])cccc2F)c1 ZINC000121940170 280624841 /nfs/dbraw/zinc/62/48/41/280624841.db2.gz RXVDWUDXBIFQNB-UHFFFAOYSA-N -1 1 273.307 2.812 20 0 CFADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000126137718 280650001 /nfs/dbraw/zinc/65/00/01/280650001.db2.gz MFVBKLCIYPKZSP-MRVPVSSYSA-N -1 1 299.754 2.506 20 0 CFADMM O=C(CCOC[C@H]1CCCO1)Nc1ccc([O-])c(Cl)c1 ZINC000129568333 280692906 /nfs/dbraw/zinc/69/29/06/280692906.db2.gz LTLOFISIAWRULG-LLVKDONJSA-N -1 1 299.754 2.570 20 0 CFADMM Cc1ccc(CC(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000129569736 280692922 /nfs/dbraw/zinc/69/29/22/280692922.db2.gz RZSXXXNZBUUEKM-UHFFFAOYSA-N -1 1 276.723 2.930 20 0 CFADMM Cc1cc(NC(=O)c2cc3ccccc3cc2[O-])c[nH]c1=O ZINC000129653694 280693772 /nfs/dbraw/zinc/69/37/72/280693772.db2.gz SIUJNVLWJNEMOO-UHFFFAOYSA-N -1 1 294.310 2.794 20 0 CFADMM O=C(C=Cc1cccc(-c2ccccc2)c1)Nc1nnn[n-]1 ZINC000255295406 281093031 /nfs/dbraw/zinc/09/30/31/281093031.db2.gz FGNLNXSTZNSNAN-KTKRTIGZSA-N -1 1 291.314 2.519 20 0 CFADMM O=C(C=Cc1cccc(-c2ccccc2)c1)Nc1nn[n-]n1 ZINC000255295406 281093032 /nfs/dbraw/zinc/09/30/32/281093032.db2.gz FGNLNXSTZNSNAN-KTKRTIGZSA-N -1 1 291.314 2.519 20 0 CFADMM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2sccc2F)C1 ZINC000338940649 281111926 /nfs/dbraw/zinc/11/19/26/281111926.db2.gz FPLXCLYFDSERKM-MRVPVSSYSA-N -1 1 277.386 2.744 20 0 CFADMM Cc1ccc2nc(-c3ccc4c(c3)CCO4)[n-]c(=O)c2c1 ZINC000178985344 281149273 /nfs/dbraw/zinc/14/92/73/281149273.db2.gz DHCQNEVWWGAQJK-UHFFFAOYSA-N -1 1 278.311 2.833 20 0 CFADMM C[C@@H](CN=c1nc(C(F)(F)F)[n-]s1)CC(F)(F)F ZINC000396878828 281198034 /nfs/dbraw/zinc/19/80/34/281198034.db2.gz GRUOKGRNGZBOBG-SCSAIBSYSA-N -1 1 293.236 2.979 20 0 CFADMM C[C@@H](NCc1cccc([O-])c1Cl)c1csnn1 ZINC000398250592 281205660 /nfs/dbraw/zinc/20/56/60/281205660.db2.gz WDPAVEPXQRIXSM-SSDOTTSWSA-N -1 1 269.757 2.748 20 0 CFADMM O=S(=O)([N-]CCCC1CC1)c1c(F)cccc1Cl ZINC000547335931 281733066 /nfs/dbraw/zinc/73/30/66/281733066.db2.gz DCBRDKABZRHMRN-UHFFFAOYSA-N -1 1 291.775 2.948 20 0 CFADMM Cc1c[nH]cc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000555443898 281915668 /nfs/dbraw/zinc/91/56/68/281915668.db2.gz GJHWHTPEEHCISE-UHFFFAOYSA-N -1 1 282.303 2.671 20 0 CFADMM CCCCCS(=O)(=O)c1nc(-c2ccc(C)cc2)n[n-]1 ZINC000559995130 282013536 /nfs/dbraw/zinc/01/35/36/282013536.db2.gz QLDRELMLFKDLIS-UHFFFAOYSA-N -1 1 293.392 2.744 20 0 CFADMM CCCCCS(=O)(=O)c1n[n-]c(-c2ccc(C)cc2)n1 ZINC000559995130 282013537 /nfs/dbraw/zinc/01/35/37/282013537.db2.gz QLDRELMLFKDLIS-UHFFFAOYSA-N -1 1 293.392 2.744 20 0 CFADMM CCCC(O)(CCC)CN=c1nc(C(F)(F)F)[n-]s1 ZINC000561210943 282049682 /nfs/dbraw/zinc/04/96/82/282049682.db2.gz XOPBGQUDYLQEPG-UHFFFAOYSA-N -1 1 297.346 2.722 20 0 CFADMM CC(C)(C)CCCCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000561226275 282050317 /nfs/dbraw/zinc/05/03/17/282050317.db2.gz QPRRMJWDCKOITK-LBPRGKRZSA-N -1 1 293.415 2.512 20 0 CFADMM CCOc1cc(C(=O)NCC(C)(F)F)cc(Cl)c1[O-] ZINC000561534205 282057128 /nfs/dbraw/zinc/05/71/28/282057128.db2.gz LXTFQLVCOCWQLR-UHFFFAOYSA-N -1 1 293.697 2.829 20 0 CFADMM CN(CCc1ccc(F)cc1)C(=O)c1ccc([O-])cc1F ZINC000154820575 289904683 /nfs/dbraw/zinc/90/46/83/289904683.db2.gz KDHHDDVWLSVDQN-UHFFFAOYSA-N -1 1 291.297 2.985 20 0 CFADMM CC1(CNC(=O)c2ccc([O-])cc2F)CCCC1 ZINC000154876332 289905617 /nfs/dbraw/zinc/90/56/17/289905617.db2.gz VCXABCCFNVAANB-UHFFFAOYSA-N -1 1 251.301 2.841 20 0 CFADMM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc([O-])cc1F ZINC000403599712 290027972 /nfs/dbraw/zinc/02/79/72/290027972.db2.gz GKGPCPXYSAPWTH-OUAUKWLOSA-N -1 1 263.312 2.697 20 0 CFADMM Cc1nc(S(=O)(=O)[N-]C(C)(C)C2CCC2)sc1C ZINC000562735581 290072296 /nfs/dbraw/zinc/07/22/96/290072296.db2.gz LZMCDUYAORJVIL-UHFFFAOYSA-N -1 1 288.438 2.617 20 0 CFADMM [O-]c1ccc(-c2noc(/C=C\[C@H]3CCOC3)n2)cc1F ZINC000562772164 290074706 /nfs/dbraw/zinc/07/47/06/290074706.db2.gz VVACMSWUGHNZRT-LVXRCVOFSA-N -1 1 276.267 2.631 20 0 CFADMM [O-]c1ccc(-c2noc(/C=C\[C@@H]3CCOC3)n2)cc1F ZINC000562772165 290074834 /nfs/dbraw/zinc/07/48/34/290074834.db2.gz VVACMSWUGHNZRT-RZXPJHQTSA-N -1 1 276.267 2.631 20 0 CFADMM CCC[C@@H](C)S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC000563249635 290124245 /nfs/dbraw/zinc/12/42/45/290124245.db2.gz FUNLFRDWFDCGKN-LLVKDONJSA-N -1 1 291.363 2.886 20 0 CFADMM CC1(C)CC[C@@H](CN(CC(=O)[O-])Cc2ccccc2)O1 ZINC000563282289 290128340 /nfs/dbraw/zinc/12/83/40/290128340.db2.gz OMYCHHOCTDXMAQ-AWEZNQCLSA-N -1 1 277.364 2.531 20 0 CFADMM CC1(C)CC[C@H](CN(CC(=O)[O-])Cc2ccccc2)O1 ZINC000563282290 290128751 /nfs/dbraw/zinc/12/87/51/290128751.db2.gz OMYCHHOCTDXMAQ-CQSZACIVSA-N -1 1 277.364 2.531 20 0 CFADMM C[C@H](CC(=O)[O-])N(C)Cc1cc(-c2cccs2)on1 ZINC000563452339 290153915 /nfs/dbraw/zinc/15/39/15/290153915.db2.gz WAHFBOIBWQSWBA-SECBINFHSA-N -1 1 280.349 2.698 20 0 CFADMM CCOCC(C)(C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000563494309 290155597 /nfs/dbraw/zinc/15/55/97/290155597.db2.gz LPUIUTPOIDDJDF-UHFFFAOYSA-N -1 1 297.376 2.526 20 0 CFADMM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CC[C@@H](C)C1 ZINC000563629076 290165080 /nfs/dbraw/zinc/16/50/80/290165080.db2.gz GLCMJTNJEQXRAU-LLVKDONJSA-N -1 1 287.363 2.596 20 0 CFADMM CC(C)OCCC[N@@H+](C)[C@H](C(=O)[O-])c1ccsc1 ZINC000564472728 290211913 /nfs/dbraw/zinc/21/19/13/290211913.db2.gz ZGSCHSPYIQXHIL-LBPRGKRZSA-N -1 1 271.382 2.621 20 0 CFADMM CC(C)OCCCN(C)[C@H](C(=O)[O-])c1ccsc1 ZINC000564472728 290211914 /nfs/dbraw/zinc/21/19/14/290211914.db2.gz ZGSCHSPYIQXHIL-LBPRGKRZSA-N -1 1 271.382 2.621 20 0 CFADMM Cc1cnc(SCCOCC2CCCC2)[n-]c1=O ZINC000564668802 290223256 /nfs/dbraw/zinc/22/32/56/290223256.db2.gz XNBCOZYQYFPNDM-UHFFFAOYSA-N -1 1 268.382 2.790 20 0 CFADMM Cc1cnc(S[C@@H]2CCCC(C)(C)C2=O)[n-]c1=O ZINC000565242006 290288280 /nfs/dbraw/zinc/28/82/80/290288280.db2.gz KPUQEKRYWIFILL-SECBINFHSA-N -1 1 266.366 2.731 20 0 CFADMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1Cc1ccccn1 ZINC000565256484 290290588 /nfs/dbraw/zinc/29/05/88/290290588.db2.gz ZTFIWDKARWITDM-HOTGVXAUSA-N -1 1 282.343 2.872 20 0 CFADMM CCc1nnc([C@@H](C)Sc2nc(CC)c(C)c(=O)[n-]2)o1 ZINC000565312672 290293974 /nfs/dbraw/zinc/29/39/74/290293974.db2.gz BUYFLZHZSITQOT-MRVPVSSYSA-N -1 1 294.380 2.852 20 0 CFADMM CCOC(=O)[C@@H](Sc1nc(CC)c(C)c(=O)[n-]1)C(C)C ZINC000565491672 290305178 /nfs/dbraw/zinc/30/51/78/290305178.db2.gz PXVNSZMJHXBPAB-NSHDSACASA-N -1 1 298.408 2.733 20 0 CFADMM Cc1ccc(F)c(-c2cc(=NC(=O)C[C@@H]3C[C@H]3C)[nH][n-]2)c1 ZINC000566534145 290397788 /nfs/dbraw/zinc/39/77/88/290397788.db2.gz QTTOYDBAQFCKET-MNOVXSKESA-N -1 1 287.338 2.931 20 0 CFADMM Cc1nc(CSc2ncc(C)c(=O)[n-]2)sc1C ZINC000568270489 290542458 /nfs/dbraw/zinc/54/24/58/290542458.db2.gz HSPYMOKHMFRUAM-UHFFFAOYSA-N -1 1 267.379 2.856 20 0 CFADMM CO[C@H](C)c1nc(=N[C@@H]2CCC23CCCC3)s[n-]1 ZINC000337937716 294341799 /nfs/dbraw/zinc/34/17/99/294341799.db2.gz QUSMCQXIFJAKCQ-NXEZZACHSA-N -1 1 267.398 2.802 20 0 CFADMM CO[C@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335215696 294491256 /nfs/dbraw/zinc/49/12/56/294491256.db2.gz JXVWGLSHKXJKID-KWQFWETISA-N -1 1 285.290 2.814 20 0 CFADMM O=C(C(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1ccc([O-])cc1 ZINC000286924554 295415518 /nfs/dbraw/zinc/41/55/18/295415518.db2.gz BHOAFHKALGDKSF-WFASDCNBSA-N -1 1 287.359 2.756 20 0 CFADMM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc([O-])cc1F ZINC000336157950 297748832 /nfs/dbraw/zinc/74/88/32/297748832.db2.gz PDEPFOZCTMKKOR-GMSGAONNSA-N -1 1 291.244 2.944 20 0 CFADMM Cc1cnc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)c([O-])c1 ZINC000408228949 302333600 /nfs/dbraw/zinc/33/36/00/302333600.db2.gz LFHLVKDDWPCBHB-JQWIXIFHSA-N -1 1 262.353 2.746 20 0 CFADMM FC(F)(F)c1nc(=N[C@@H]2CCC[C@@H]3C[C@@H]32)s[n-]1 ZINC000413465790 303120848 /nfs/dbraw/zinc/12/08/48/303120848.db2.gz WFHBHZKQEHTGNC-DSYKOEDSSA-N -1 1 263.288 2.579 20 0 CFADMM Cc1nc2cncc(-c3ccc(C(=O)[O-])s3)c2[nH]1 ZINC001240849828 782081921 /nfs/dbraw/zinc/08/19/21/782081921.db2.gz SKLYQNBWDQSAOG-UHFFFAOYSA-N -1 1 259.290 2.693 20 0 CFADMM Cc1cc(-c2cc3[nH]nnc3cc2F)ccc1C(=O)[O-] ZINC001243215692 782076737 /nfs/dbraw/zinc/07/67/37/782076737.db2.gz XPLTYZNTMHROSF-UHFFFAOYSA-N -1 1 271.251 2.771 20 0 CFADMM Cc1cccc(NCCc2ccc(OCC(=O)[O-])cc2)n1 ZINC000571407336 322582159 /nfs/dbraw/zinc/58/21/59/322582159.db2.gz CKBTZRJVJZWFFE-UHFFFAOYSA-N -1 1 286.331 2.508 20 0 CFADMM CCOC1(C)CCN([C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC000573934742 322674695 /nfs/dbraw/zinc/67/46/95/322674695.db2.gz CVDBEBSBOYOBOS-GFCCVEGCSA-N -1 1 283.393 2.765 20 0 CFADMM CCc1nc(SCc2cn(C(C)C)nn2)[n-]c(=O)c1C ZINC000574769869 322705503 /nfs/dbraw/zinc/70/55/03/322705503.db2.gz AUWBARZJBPMFBY-UHFFFAOYSA-N -1 1 293.396 2.518 20 0 CFADMM COc1cc(C(=O)[N-]c2ccsc2Cl)on1 ZINC000186932416 323988227 /nfs/dbraw/zinc/98/82/27/323988227.db2.gz RNTKLAJPUNUKDD-UHFFFAOYSA-N -1 1 258.686 2.650 20 0 CFADMM COc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)nc1 ZINC000350569675 324233578 /nfs/dbraw/zinc/23/35/78/324233578.db2.gz AAYBOMDKRRSGPI-UHFFFAOYSA-N -1 1 287.250 2.652 20 0 CFADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@@H]3C[C@H]3C)no2)c1 ZINC000350569848 324233703 /nfs/dbraw/zinc/23/37/03/324233703.db2.gz UFVSXCXOMQVAAL-GMSGAONNSA-N -1 1 273.292 2.524 20 0 CFADMM Cc1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)cn1 ZINC000350577282 324235730 /nfs/dbraw/zinc/23/57/30/324235730.db2.gz UWHFKWCTPKJWGO-UHFFFAOYSA-N -1 1 271.251 2.952 20 0 CFADMM Cc1ccc(Cc2noc(-c3ccc([O-])cc3F)n2)cn1 ZINC000350579136 324236836 /nfs/dbraw/zinc/23/68/36/324236836.db2.gz LAVDMEYBXAGBOE-UHFFFAOYSA-N -1 1 285.278 2.876 20 0 CFADMM CCc1nn(C)cc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000350579224 324236939 /nfs/dbraw/zinc/23/69/39/324236939.db2.gz NHGTXHAPMCUVGV-UHFFFAOYSA-N -1 1 288.282 2.544 20 0 CFADMM [O-]c1ccc(-c2noc([C@H]3CC34CCOCC4)n2)c(F)c1 ZINC000350607938 324245420 /nfs/dbraw/zinc/24/54/20/324245420.db2.gz IOXWUJXGYCEDON-LLVKDONJSA-N -1 1 290.294 2.865 20 0 CFADMM C[C@H]1COCC[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350611888 324245880 /nfs/dbraw/zinc/24/58/80/324245880.db2.gz PATSVHYFJBGBCM-WPRPVWTQSA-N -1 1 278.283 2.721 20 0 CFADMM [O-]c1ccc(-c2noc([C@@H]3CCC[C@H](O)C3)n2)c(F)c1 ZINC000350614541 324246837 /nfs/dbraw/zinc/24/68/37/324246837.db2.gz VGEQUDDVDYCNOT-BDAKNGLRSA-N -1 1 278.283 2.600 20 0 CFADMM CCc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000350772620 324255742 /nfs/dbraw/zinc/25/57/42/324255742.db2.gz LGMYEVXHPMYERX-UHFFFAOYSA-N -1 1 299.124 2.776 20 0 CFADMM O=C1CCC(c2nc(-c3ccc([O-])cc3F)no2)CC1 ZINC000350812758 324261876 /nfs/dbraw/zinc/26/18/76/324261876.db2.gz HNNDONWBAMGNJR-UHFFFAOYSA-N -1 1 276.267 2.808 20 0 CFADMM Cc1cnn(Cc2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000350817771 324262667 /nfs/dbraw/zinc/26/26/67/324262667.db2.gz SZANWXZRSRKGHM-UHFFFAOYSA-N -1 1 290.710 2.649 20 0 CFADMM COc1ccc(-c2nc(-c3ccncc3OC)no2)c([O-])c1 ZINC000350938462 324286793 /nfs/dbraw/zinc/28/67/93/324286793.db2.gz HZNUNUUTARGTBZ-UHFFFAOYSA-N -1 1 299.286 2.521 20 0 CFADMM C[C@H]1CCCCCN1Cc1nc(C(=O)[O-])cs1 ZINC000378711506 324399743 /nfs/dbraw/zinc/39/97/43/324399743.db2.gz LMMSUAGFNGDGDU-VIFPVBQESA-N -1 1 254.355 2.606 20 0 CFADMM C[C@@H]1CC[C@H](c2noc(-c3ccc([O-])cc3F)n2)O1 ZINC000398387905 324550342 /nfs/dbraw/zinc/55/03/42/324550342.db2.gz VWQZIWBNPNNUNM-RDDDGLTNSA-N -1 1 264.256 2.821 20 0 CFADMM CCCCN(Cc1ncccc1[O-])CC(F)(F)F ZINC000576982835 324681660 /nfs/dbraw/zinc/68/16/60/324681660.db2.gz AMCLGRDAWFVSQU-UHFFFAOYSA-N -1 1 262.275 2.952 20 0 CFADMM O=C([O-])c1ccccc1CC1CCN(Cc2cc[nH]n2)CC1 ZINC000578767202 324887744 /nfs/dbraw/zinc/88/77/44/324887744.db2.gz QYAQBEVNMAJEES-UHFFFAOYSA-N -1 1 299.374 2.563 20 0 CFADMM CC(C)(C)c1nnc([N-]C(=O)c2ocnc2C2CC2)s1 ZINC000580251174 325019441 /nfs/dbraw/zinc/01/94/41/325019441.db2.gz UMCZWOBKDHCCLK-UHFFFAOYSA-N -1 1 292.364 2.953 20 0 CFADMM O=c1cc(C(F)F)nc(SC[C@@H]2CCCOC2)[n-]1 ZINC000580981121 325079620 /nfs/dbraw/zinc/07/96/20/325079620.db2.gz RROZWFMMPQMYAS-SSDOTTSWSA-N -1 1 276.308 2.639 20 0 CFADMM Cc1oc(C[N@H+](C)CC2(O)CCC(C)CC2)cc1C(=O)[O-] ZINC000581136967 325094304 /nfs/dbraw/zinc/09/43/04/325094304.db2.gz JBQLKYWIEZPWKF-UHFFFAOYSA-N -1 1 295.379 2.659 20 0 CFADMM CCOC(=O)C(C)(C)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000581611754 325136955 /nfs/dbraw/zinc/13/69/55/325136955.db2.gz NQEZVYWVHAXTSH-UHFFFAOYSA-N -1 1 296.392 2.741 20 0 CFADMM C[C@@H]1CN(CC2(CC(=O)[O-])CC2)[C@@H](c2ccccc2)CO1 ZINC000581949061 325162987 /nfs/dbraw/zinc/16/29/87/325162987.db2.gz MAPFNWYHXCGURW-UKRRQHHQSA-N -1 1 289.375 2.703 20 0 CFADMM C[C@@H]1CN(CC2(CC(=O)[O-])CC2)[C@H](c2ccccc2)CO1 ZINC000581949060 325163189 /nfs/dbraw/zinc/16/31/89/325163189.db2.gz MAPFNWYHXCGURW-HIFRSBDPSA-N -1 1 289.375 2.703 20 0 CFADMM CC(C)[C@H](NCc1ncccc1[O-])c1nc(C2CC2)no1 ZINC000582029538 325170199 /nfs/dbraw/zinc/17/01/99/325170199.db2.gz AFGMXEKSHOQZAZ-ZDUSSCGKSA-N -1 1 288.351 2.535 20 0 CFADMM Cc1cccc(NC[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000582423330 325204361 /nfs/dbraw/zinc/20/43/61/325204361.db2.gz RSUZUKBPKQMHJO-CQSZACIVSA-N -1 1 270.332 2.745 20 0 CFADMM COc1ccc2c(c1)C[C@H](C)N(CC1(C(=O)[O-])CC1)[C@H]2C ZINC000583149479 325264820 /nfs/dbraw/zinc/26/48/20/325264820.db2.gz RLONUHULHBYMDG-RYUDHWBXSA-N -1 1 289.375 2.868 20 0 CFADMM CCc1nc(SCc2coc(C)n2)[n-]c(=O)c1C ZINC000583764573 325309355 /nfs/dbraw/zinc/30/93/55/325309355.db2.gz MLNBWKVWSCGKOG-UHFFFAOYSA-N -1 1 265.338 2.642 20 0 CFADMM CCc1nc(SC[C@H]2CCO[C@@H](C)C2)[n-]c(=O)c1C ZINC000584183590 325336862 /nfs/dbraw/zinc/33/68/62/325336862.db2.gz ODUUKTPNDGMSGT-ONGXEEELSA-N -1 1 282.409 2.960 20 0 CFADMM COc1cccc([C@@H](C)NC(=O)c2ncc(C)cc2[O-])c1 ZINC000426416891 533710833 /nfs/dbraw/zinc/71/08/33/533710833.db2.gz MYGPFOUWFABVRS-LLVKDONJSA-N -1 1 286.331 2.595 20 0 CFADMM Cn1c(=O)oc2cc(-c3ccc([O-])c(F)c3F)ccc21 ZINC001243341794 782145461 /nfs/dbraw/zinc/14/54/61/782145461.db2.gz DBHVHWLKNRYKNF-UHFFFAOYSA-N -1 1 277.226 2.782 20 0 CFADMM O=C1Cc2ccc(-c3ccc([O-])c(F)c3F)cc2CN1 ZINC001243342043 782147476 /nfs/dbraw/zinc/14/74/76/782147476.db2.gz AKLAHGHGBZDEOH-UHFFFAOYSA-N -1 1 275.254 2.510 20 0 CFADMM O=c1cnc(-c2ccc([O-])c(F)c2F)cn1C1CCC1 ZINC001243343438 782149190 /nfs/dbraw/zinc/14/91/90/782149190.db2.gz BPBFKZXDHAZKKV-UHFFFAOYSA-N -1 1 278.258 2.619 20 0 CFADMM CON(C)C(=O)c1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC001243343362 782149742 /nfs/dbraw/zinc/14/97/42/782149742.db2.gz WXVFRVLHLKAPID-UHFFFAOYSA-N -1 1 293.269 2.971 20 0 CFADMM CCCC[C@@H](COC)N=c1nc(C(F)(F)F)[n-]s1 ZINC000342408003 500658655 /nfs/dbraw/zinc/65/86/55/500658655.db2.gz AGBQLNCHPXQGDC-ZETCQYMHSA-N -1 1 283.319 2.596 20 0 CFADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(O)c1 ZINC000175214726 533747434 /nfs/dbraw/zinc/74/74/34/533747434.db2.gz FDXFGYVCEYQNGH-VIFPVBQESA-N -1 1 275.279 2.728 20 0 CFADMM COc1ccccc1CCNC(=O)c1c([O-])cccc1F ZINC000163596521 534044437 /nfs/dbraw/zinc/04/44/37/534044437.db2.gz NALVXCLGETULSS-UHFFFAOYSA-N -1 1 289.306 2.512 20 0 CFADMM CC(C)(C)c1ccc(CNC2(C(=O)[O-])CC2)s1 ZINC000340687676 519030872 /nfs/dbraw/zinc/03/08/72/519030872.db2.gz YSNXAQSRYVAINR-UHFFFAOYSA-N -1 1 253.367 2.752 20 0 CFADMM CC(C)(C)n1cc(C(=O)Nc2ccc([O-])c(F)c2F)cn1 ZINC000335021299 519152420 /nfs/dbraw/zinc/15/24/20/519152420.db2.gz MNLVSZXNCJEZED-UHFFFAOYSA-N -1 1 295.289 2.874 20 0 CFADMM CC(C)(NC(=O)c1cncc([O-])c1)c1cccs1 ZINC000336334049 519319595 /nfs/dbraw/zinc/31/95/95/519319595.db2.gz OFAPKCILNOBYQR-UHFFFAOYSA-N -1 1 262.334 2.514 20 0 CFADMM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1cncc([O-])c1 ZINC000335001014 519807535 /nfs/dbraw/zinc/80/75/35/519807535.db2.gz YGRBXQKADCPPJO-ZIAGYGMSSA-N -1 1 262.353 2.540 20 0 CFADMM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000334778423 519808637 /nfs/dbraw/zinc/80/86/37/519808637.db2.gz QHAKFJPKOPSVLC-GXTWGEPZSA-N -1 1 251.301 2.696 20 0 CFADMM CC1(F)CC([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000336305370 520754821 /nfs/dbraw/zinc/75/48/21/520754821.db2.gz VHASQMCETKXOKN-UHFFFAOYSA-N -1 1 283.324 2.602 20 0 CFADMM Cc1cnc(C(=O)N[C@@H](C)c2cccc(F)c2F)c([O-])c1 ZINC000427555818 534531337 /nfs/dbraw/zinc/53/13/37/534531337.db2.gz LZQRJQYBBYPGKR-VIFPVBQESA-N -1 1 292.285 2.865 20 0 CFADMM Cc1nc(SCCCO[C@H]2CCCCO2)[n-]c(=O)c1C ZINC000413003591 534531904 /nfs/dbraw/zinc/53/19/04/534531904.db2.gz UXQRXQVHQOYMIP-LBPRGKRZSA-N -1 1 298.408 2.824 20 0 CFADMM CC[C@@H](Cc1ccccc1)NC(=O)c1ncccc1[O-] ZINC000340945529 522634011 /nfs/dbraw/zinc/63/40/11/522634011.db2.gz BBOCKGCMUWPNGK-ZDUSSCGKSA-N -1 1 270.332 2.538 20 0 CFADMM CCc1onc(C)c1C(=O)Nc1ccc(F)cc1[O-] ZINC000336070085 523043239 /nfs/dbraw/zinc/04/32/39/523043239.db2.gz SFHWLRWYIHDVGB-UHFFFAOYSA-N -1 1 264.256 2.642 20 0 CFADMM CN(C(=O)c1c(F)ccc([O-])c1F)[C@H]1CC1(C)C ZINC000336447397 523915631 /nfs/dbraw/zinc/91/56/31/523915631.db2.gz CCBAQVHDAAJXMY-VIFPVBQESA-N -1 1 255.264 2.541 20 0 CFADMM CCc1ccc(CNC2(C(=O)[O-])CCCCC2)o1 ZINC000340674128 523941227 /nfs/dbraw/zinc/94/12/27/523941227.db2.gz FBZRDWKTRVAJFV-UHFFFAOYSA-N -1 1 251.326 2.719 20 0 CFADMM CCc1ccc([C@@H](NCc2n[nH]c(=O)[n-]2)C(C)C)cc1 ZINC000340901637 524033010 /nfs/dbraw/zinc/03/30/10/524033010.db2.gz LNFKPDFADOJRFU-AWEZNQCLSA-N -1 1 274.368 2.560 20 0 CFADMM Cc1cc(C(=O)[N-]c2nncs2)c(C(F)(F)F)o1 ZINC000336061874 524189549 /nfs/dbraw/zinc/18/95/49/524189549.db2.gz ATFHURNUAKTQLH-UHFFFAOYSA-N -1 1 277.227 2.711 20 0 CFADMM C[C@@H](C(=O)[O-])N(C)Cc1ccc(C(C)(C)C)s1 ZINC000166279543 524295931 /nfs/dbraw/zinc/29/59/31/524295931.db2.gz RFHFKCDQPQHMFI-VIFPVBQESA-N -1 1 255.383 2.951 20 0 CFADMM COc1ccc(F)cc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000050511365 524314816 /nfs/dbraw/zinc/31/48/16/524314816.db2.gz SHADVOFQJHALOT-HNNXBMFYSA-N -1 1 289.306 2.750 20 0 CFADMM C[C@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)[C@@H]1c1ccccc1 ZINC000336436145 524453772 /nfs/dbraw/zinc/45/37/72/524453772.db2.gz IFOVTPDGAIVHOL-LRDDRELGSA-N -1 1 295.338 2.795 20 0 CFADMM Cc1cccc(NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC000336313281 524659148 /nfs/dbraw/zinc/65/91/48/524659148.db2.gz JEOUEEUNNVODLV-UHFFFAOYSA-N -1 1 264.231 2.626 20 0 CFADMM C[C@@H]1C[C@@H](CNC(=O)c2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000334086712 525239668 /nfs/dbraw/zinc/23/96/68/525239668.db2.gz DYOLOJRDOZBRFL-JGPRNRPPSA-N -1 1 297.782 2.979 20 0 CFADMM C[C@H](NC(=O)c1ncccc1[O-])c1ccc(F)c(F)c1 ZINC000195132272 525272591 /nfs/dbraw/zinc/27/25/91/525272591.db2.gz RDDHZFMWLRDBGL-QMMMGPOBSA-N -1 1 278.258 2.556 20 0 CFADMM Cc1ccccc1[C@H](C(C)C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC000340886293 525401200 /nfs/dbraw/zinc/40/12/00/525401200.db2.gz FFEFVOVDEYAOQP-AWEZNQCLSA-N -1 1 274.368 2.648 20 0 CFADMM C[C@@H]1[C@@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1(F)F ZINC000335734981 525628351 /nfs/dbraw/zinc/62/83/51/525628351.db2.gz ICKZQXSDOKNVCC-KRTXAFLBSA-N -1 1 293.273 2.622 20 0 CFADMM Cc1ccnc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c1 ZINC000242988776 525695150 /nfs/dbraw/zinc/69/51/50/525695150.db2.gz HSSJLDCONNPIEH-UHFFFAOYSA-N -1 1 296.779 2.985 20 0 CFADMM Cc1cnc(CC(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000335104528 525989972 /nfs/dbraw/zinc/98/99/72/525989972.db2.gz KHNFWKDNJSMSGD-UHFFFAOYSA-N -1 1 282.752 2.992 20 0 CFADMM Cc1c[nH]nc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000365666166 526021819 /nfs/dbraw/zinc/02/18/19/526021819.db2.gz UKWPSLANIHNWFD-UHFFFAOYSA-N -1 1 299.374 2.519 20 0 CFADMM C[C@@H](c1cc(F)ccc1F)N1CCC(C(=O)[O-])CC1 ZINC000082249742 526029838 /nfs/dbraw/zinc/02/98/38/526029838.db2.gz PWLZNXFRNIJRMY-VIFPVBQESA-N -1 1 269.291 2.822 20 0 CFADMM O=C([O-])c1coc(CNCc2ccc(Cl)cc2)c1 ZINC000228157874 526405978 /nfs/dbraw/zinc/40/59/78/526405978.db2.gz PZTZXUQBWQODJI-UHFFFAOYSA-N -1 1 265.696 2.921 20 0 CFADMM O=C(NC[C@H]1CC12CC2)c1ccc(Br)c([O-])c1 ZINC000335196141 526584492 /nfs/dbraw/zinc/58/44/92/526584492.db2.gz WRGXLBBSDALLJW-SECBINFHSA-N -1 1 296.164 2.685 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H]1C1CC1 ZINC000334666074 526610437 /nfs/dbraw/zinc/61/04/37/526610437.db2.gz LQCDARSZEDNMFF-NSHDSACASA-N -1 1 251.713 2.670 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC(OC2CCC2)CC1 ZINC000334905828 526622661 /nfs/dbraw/zinc/62/26/61/526622661.db2.gz YFOKOARYCQABQI-UHFFFAOYSA-N -1 1 293.338 2.705 20 0 CFADMM CC(C)(C)[C@@H](CO)NC(=O)c1cc2ccccc2cc1[O-] ZINC000192866661 526626490 /nfs/dbraw/zinc/62/64/90/526626490.db2.gz OODQZDAOUJEYGS-OAHLLOKOSA-N -1 1 287.359 2.682 20 0 CFADMM O=C(c1ncccc1[O-])N1CCC[C@@H](Cc2ccccc2)C1 ZINC000365145158 526920945 /nfs/dbraw/zinc/92/09/45/526920945.db2.gz CMXZUNUUANZEIC-HNNXBMFYSA-N -1 1 296.370 2.882 20 0 CFADMM O=C(c1ncccc1[O-])N1C[C@H]2CCCCCC[C@H]21 ZINC000366285622 526923594 /nfs/dbraw/zinc/92/35/94/526923594.db2.gz OOUYGSRMDFZXKC-VXGBXAGGSA-N -1 1 260.337 2.582 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(Cl)cn1 ZINC000340329190 527213894 /nfs/dbraw/zinc/21/38/94/527213894.db2.gz WNQOKMYSUXYKKQ-UHFFFAOYSA-N -1 1 266.659 2.832 20 0 CFADMM CC(C)(NC(=O)c1ncccc1[O-])c1ccc(F)c(F)c1 ZINC000427138837 527287624 /nfs/dbraw/zinc/28/76/24/527287624.db2.gz ZHAAXRNTLBBIMS-UHFFFAOYSA-N -1 1 292.285 2.731 20 0 CFADMM O=C(Cc1[nH]nc2ccccc21)Nc1ccc(F)cc1[O-] ZINC000340331383 527341030 /nfs/dbraw/zinc/34/10/30/527341030.db2.gz OUDUWWYMKGZFFO-UHFFFAOYSA-N -1 1 285.278 2.589 20 0 CFADMM O=C(Cc1n[nH]c2ccccc21)Nc1ccc(F)cc1[O-] ZINC000340331383 527341034 /nfs/dbraw/zinc/34/10/34/527341034.db2.gz OUDUWWYMKGZFFO-UHFFFAOYSA-N -1 1 285.278 2.589 20 0 CFADMM Cc1ncoc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000336073822 527470793 /nfs/dbraw/zinc/47/07/93/527470793.db2.gz ZTGKPFPIINYHLQ-UHFFFAOYSA-N -1 1 256.183 2.653 20 0 CFADMM O=c1cc(/C=C/c2cccc3ccccc23)nc2nc[n-]n21 ZINC000339957152 527474437 /nfs/dbraw/zinc/47/44/37/527474437.db2.gz HXAQNXVHZXKLTH-CMDGGOBGSA-N -1 1 288.310 2.741 20 0 CFADMM O=c1cc(/C=C\c2cccc3ccccc23)nc2nc[n-]n21 ZINC000339957153 527474713 /nfs/dbraw/zinc/47/47/13/527474713.db2.gz HXAQNXVHZXKLTH-HJWRWDBZSA-N -1 1 288.310 2.741 20 0 CFADMM O=C(NC1CC(C(F)(F)F)C1)c1c([O-])cccc1F ZINC000336144097 527480391 /nfs/dbraw/zinc/48/03/91/527480391.db2.gz PAHINNABYFDNHW-UHFFFAOYSA-N -1 1 277.217 2.602 20 0 CFADMM CCCCC[C@@H](CC)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000123519670 528255671 /nfs/dbraw/zinc/25/56/71/528255671.db2.gz HBBUKVZJXNZOBY-OLZOCXBDSA-N -1 1 293.415 2.512 20 0 CFADMM CCOC(C)(C)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000159487444 528426970 /nfs/dbraw/zinc/42/69/70/528426970.db2.gz CJXYIFPQQSFLQY-UHFFFAOYSA-N -1 1 271.744 2.591 20 0 CFADMM CCCc1csc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)n1 ZINC000422629989 528667653 /nfs/dbraw/zinc/66/76/53/528667653.db2.gz AMRNHCCLYYDUTQ-MNOVXSKESA-N -1 1 282.409 2.781 20 0 CFADMM CCC[C@@H](C)C[C@@H](NCc1ccc(C)o1)C(=O)[O-] ZINC000426823223 528882253 /nfs/dbraw/zinc/88/22/53/528882253.db2.gz IINOPZFMSPDGPW-ZWNOBZJWSA-N -1 1 253.342 2.957 20 0 CFADMM CC(C)[C@@H]1C[C@@H](CNC(=O)c2c([O-])cccc2F)CCO1 ZINC000452809648 535268382 /nfs/dbraw/zinc/26/83/82/535268382.db2.gz CWINYJZOWNAWLL-FZMZJTMJSA-N -1 1 295.354 2.712 20 0 CFADMM CC[C@H](C)[C@H](NC(=O)c1ncc(C)cc1[O-])C(F)(F)F ZINC000444552857 535975250 /nfs/dbraw/zinc/97/52/50/535975250.db2.gz UWBCWZYKFFENED-KWQFWETISA-N -1 1 290.285 2.802 20 0 CFADMM Cc1ccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)cn1 ZINC000228887527 545533786 /nfs/dbraw/zinc/53/37/86/545533786.db2.gz QWDKGBVICVODHV-MRXNPFEDSA-N -1 1 282.343 2.574 20 0 CFADMM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)Nc1c([O-])cccc1F ZINC000935100608 649875506 /nfs/dbraw/zinc/87/55/06/649875506.db2.gz QHZXOEIFPHSZJL-GWCFXTLKSA-N -1 1 279.311 2.818 20 0 CFADMM CCC[C@@H](C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000736422860 574050499 /nfs/dbraw/zinc/05/04/99/574050499.db2.gz JZMVISMGEJLOKP-ZCFIWIBFSA-N -1 1 286.792 2.601 20 0 CFADMM CCC[C@@H](C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000736422860 574050501 /nfs/dbraw/zinc/05/05/01/574050501.db2.gz JZMVISMGEJLOKP-ZCFIWIBFSA-N -1 1 286.792 2.601 20 0 CFADMM CC(C)CN(CCC(=O)[O-])Cc1ncc(C(C)C)o1 ZINC000736432591 574051336 /nfs/dbraw/zinc/05/13/36/574051336.db2.gz PWOQQPPAZXTEGX-UHFFFAOYSA-N -1 1 268.357 2.731 20 0 CFADMM CC(C)N(CCC(=O)[O-])CC(=O)c1c[nH]c2ccccc12 ZINC000736465438 574056301 /nfs/dbraw/zinc/05/63/01/574056301.db2.gz FNHPOSYRXGYHOZ-UHFFFAOYSA-N -1 1 288.347 2.536 20 0 CFADMM CCCCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736452360 574056311 /nfs/dbraw/zinc/05/63/11/574056311.db2.gz VFRNUHHLCVTVGD-UHFFFAOYSA-N -1 1 266.736 2.517 20 0 CFADMM CCCCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736452360 574056312 /nfs/dbraw/zinc/05/63/12/574056312.db2.gz VFRNUHHLCVTVGD-UHFFFAOYSA-N -1 1 266.736 2.517 20 0 CFADMM CSC[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000736710521 574068120 /nfs/dbraw/zinc/06/81/20/574068120.db2.gz HPQHIDNHPHGKLT-SSDOTTSWSA-N -1 1 259.758 2.527 20 0 CFADMM CC(C)(C)SCCCC(=O)[N-]OCC(F)(F)F ZINC000754079548 574070006 /nfs/dbraw/zinc/07/00/06/574070006.db2.gz JSEUAOSPTTUZEG-UHFFFAOYSA-N -1 1 273.320 2.908 20 0 CFADMM CCSCCOC(=O)c1c([O-])cc(F)cc1F ZINC000744879791 574091438 /nfs/dbraw/zinc/09/14/38/574091438.db2.gz GSWLFXHWPCGNJI-UHFFFAOYSA-N -1 1 262.277 2.580 20 0 CFADMM Cc1ccc2c(c1)[C@H](Nc1cccc(-c3nnn[n-]3)n1)CC2 ZINC000737372502 574137913 /nfs/dbraw/zinc/13/79/13/574137913.db2.gz ZLRWCXXDUZUUJW-CYBMUJFWSA-N -1 1 292.346 2.670 20 0 CFADMM Cc1ccc2c(c1)[C@H](Nc1cccc(-c3nn[n-]n3)n1)CC2 ZINC000737372502 574137917 /nfs/dbraw/zinc/13/79/17/574137917.db2.gz ZLRWCXXDUZUUJW-CYBMUJFWSA-N -1 1 292.346 2.670 20 0 CFADMM O=c1cc(CSc2cnccn2)c2ccc([O-])cc2o1 ZINC000746390042 574147664 /nfs/dbraw/zinc/14/76/64/574147664.db2.gz OMZRNJWVFMIJCF-UHFFFAOYSA-N -1 1 286.312 2.581 20 0 CFADMM Clc1ccc(NCCC2CCCC2)nc1-c1nnn[n-]1 ZINC000737576234 574148740 /nfs/dbraw/zinc/14/87/40/574148740.db2.gz ZJJLQYIWFZHJSP-UHFFFAOYSA-N -1 1 292.774 2.907 20 0 CFADMM Clc1ccc(NCCC2CCCC2)nc1-c1nn[n-]n1 ZINC000737576234 574148743 /nfs/dbraw/zinc/14/87/43/574148743.db2.gz ZJJLQYIWFZHJSP-UHFFFAOYSA-N -1 1 292.774 2.907 20 0 CFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000738534318 574172596 /nfs/dbraw/zinc/17/25/96/574172596.db2.gz YZZUKGMILJIRIW-TXEJJXNPSA-N -1 1 290.363 2.505 20 0 CFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000738534315 574172804 /nfs/dbraw/zinc/17/28/04/574172804.db2.gz YZZUKGMILJIRIW-RYUDHWBXSA-N -1 1 290.363 2.505 20 0 CFADMM CC[C@@H]1CCCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000747206253 574187564 /nfs/dbraw/zinc/18/75/64/574187564.db2.gz LUHNVAHZGVFDOX-GFCCVEGCSA-N -1 1 291.395 2.876 20 0 CFADMM C[C@H](c1cccc(Cl)c1)N1CC[C@H](NC(=O)[O-])C1 ZINC000739060743 574196337 /nfs/dbraw/zinc/19/63/37/574196337.db2.gz ZQTDLBLRAMGPEK-SKDRFNHKSA-N -1 1 268.744 2.743 20 0 CFADMM CCC(CC)(CNC(=O)[O-])NCc1nc2ccccc2o1 ZINC000739255207 574203119 /nfs/dbraw/zinc/20/31/19/574203119.db2.gz XZBKYJAPSIHBLH-UHFFFAOYSA-N -1 1 291.351 2.744 20 0 CFADMM CN(CCNCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000739699701 574222998 /nfs/dbraw/zinc/22/29/98/574222998.db2.gz VOVBDYOOTVABAB-UHFFFAOYSA-N -1 1 277.151 2.693 20 0 CFADMM CN(C(=O)[O-])[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000739587211 574222784 /nfs/dbraw/zinc/22/27/84/574222784.db2.gz UXZZFHDHZJUOHH-HMZQOCAUSA-N -1 1 274.364 2.774 20 0 CFADMM CN(C(=O)[O-])[C@@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC000739587211 574222788 /nfs/dbraw/zinc/22/27/88/574222788.db2.gz UXZZFHDHZJUOHH-HMZQOCAUSA-N -1 1 274.364 2.774 20 0 CFADMM O=C([O-])[C@H](NCc1ccc(Cl)nc1)c1cccc(F)c1 ZINC000756337413 574226206 /nfs/dbraw/zinc/22/62/06/574226206.db2.gz FNLBJIIWFULEQQ-CYBMUJFWSA-N -1 1 294.713 2.790 20 0 CFADMM Cc1cc(C)cc([C@@H](NCCNC(=O)[O-])c2cccnc2)c1 ZINC000740064509 574234372 /nfs/dbraw/zinc/23/43/72/574234372.db2.gz RWHWFQGQTIUCOC-INIZCTEOSA-N -1 1 299.374 2.645 20 0 CFADMM Cc1cc(C[N@@H+]2CCN(C(=O)[O-])C[C@@H]2C)c2ccccc2n1 ZINC000740073563 574234739 /nfs/dbraw/zinc/23/47/39/574234739.db2.gz PLTCXJWOCCKQNE-ZDUSSCGKSA-N -1 1 299.374 2.727 20 0 CFADMM Cc1cc(CN2CCN(C(=O)[O-])C[C@@H]2C)c2ccccc2n1 ZINC000740073563 574234742 /nfs/dbraw/zinc/23/47/42/574234742.db2.gz PLTCXJWOCCKQNE-ZDUSSCGKSA-N -1 1 299.374 2.727 20 0 CFADMM Cc1cc([C@H]2CCCN2C[C@@H]2CCCN(C(=O)[O-])C2)no1 ZINC000740079648 574234753 /nfs/dbraw/zinc/23/47/53/574234753.db2.gz ISVHYNRMJCGFDS-GXTWGEPZSA-N -1 1 293.367 2.510 20 0 CFADMM O=C([O-])c1ccc(C(=O)Nc2cccc(Cl)c2O)cc1 ZINC000740115388 574236052 /nfs/dbraw/zinc/23/60/52/574236052.db2.gz XQWYTHHAQKIELD-UHFFFAOYSA-N -1 1 291.690 2.996 20 0 CFADMM O=C([O-])N1CC[C@H](NCc2c(Cl)cccc2Cl)C1 ZINC000740504738 574252143 /nfs/dbraw/zinc/25/21/43/574252143.db2.gz BWCYAFIXLBMQHW-QMMMGPOBSA-N -1 1 289.162 2.835 20 0 CFADMM CCn1cc(CN(C)C(=O)c2c([O-])cccc2Cl)cn1 ZINC000733809733 574257269 /nfs/dbraw/zinc/25/72/69/574257269.db2.gz FVYFLVFAOAHRQR-UHFFFAOYSA-N -1 1 293.754 2.534 20 0 CFADMM Cc1oc(CN2CCC[C@H]2c2cccn2C)cc1C(=O)[O-] ZINC000738978644 574278315 /nfs/dbraw/zinc/27/83/15/574278315.db2.gz ISQLLEFIOSWNPI-HNNXBMFYSA-N -1 1 288.347 2.962 20 0 CFADMM CCO[N-]C(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000742041761 574313966 /nfs/dbraw/zinc/31/39/66/574313966.db2.gz APRLKBKXJVHHBQ-MRVPVSSYSA-N -1 1 261.243 2.877 20 0 CFADMM O=C1N[C@@H](c2cc(F)c([O-])c(F)c2)Nc2cc(F)ccc21 ZINC000749936454 574316615 /nfs/dbraw/zinc/31/66/15/574316615.db2.gz ZFOCHKJAOFKBCX-ZDUSSCGKSA-N -1 1 294.232 2.664 20 0 CFADMM CC(C)(C)C[C@@H](O)CNC(=O)c1c([O-])cccc1Cl ZINC000735329718 574320901 /nfs/dbraw/zinc/32/09/01/574320901.db2.gz GDMNENYSHOFPBP-SECBINFHSA-N -1 1 285.771 2.573 20 0 CFADMM CN(CCC(C)(C)C)Cc1nc(C(=O)[O-])cs1 ZINC000399744630 574324012 /nfs/dbraw/zinc/32/40/12/574324012.db2.gz ZZYJICNNVIUDFA-UHFFFAOYSA-N -1 1 256.371 2.709 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000750540403 574346924 /nfs/dbraw/zinc/34/69/24/574346924.db2.gz ZNKNBNFITGUMFY-MNOVXSKESA-N -1 1 295.766 2.544 20 0 CFADMM C[C@H]1CCC[C@@H](CCNc2cccc(-c3nnn[n-]3)n2)C1 ZINC000736247137 574357485 /nfs/dbraw/zinc/35/74/85/574357485.db2.gz AIFIKSDVKRZAMW-RYUDHWBXSA-N -1 1 286.383 2.890 20 0 CFADMM C[C@H]1CCC[C@@H](CCNc2cccc(-c3nn[n-]n3)n2)C1 ZINC000736247137 574357486 /nfs/dbraw/zinc/35/74/86/574357486.db2.gz AIFIKSDVKRZAMW-RYUDHWBXSA-N -1 1 286.383 2.890 20 0 CFADMM C[C@@H]1CCCC[C@H]1CCNc1cccc(-c2nnn[n-]2)n1 ZINC000736273900 574359135 /nfs/dbraw/zinc/35/91/35/574359135.db2.gz SWQMRRAJXPQTJJ-NEPJUHHUSA-N -1 1 286.383 2.890 20 0 CFADMM C[C@@H]1CCCC[C@H]1CCNc1cccc(-c2nn[n-]n2)n1 ZINC000736273900 574359137 /nfs/dbraw/zinc/35/91/37/574359137.db2.gz SWQMRRAJXPQTJJ-NEPJUHHUSA-N -1 1 286.383 2.890 20 0 CFADMM O=C(N[C@H]1CCCC1(F)F)c1ccc(Cl)cc1[O-] ZINC000398332077 574364700 /nfs/dbraw/zinc/36/47/00/574364700.db2.gz NSUYHLUUIASQNP-JTQLQIEISA-N -1 1 275.682 2.963 20 0 CFADMM O=C(NCCC(F)(F)F)c1c([O-])cccc1Cl ZINC000743803633 574372299 /nfs/dbraw/zinc/37/22/99/574372299.db2.gz OAYZRKKKPCAGTA-UHFFFAOYSA-N -1 1 267.634 2.728 20 0 CFADMM C[C@H]1COCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000398910299 574377207 /nfs/dbraw/zinc/37/72/07/574377207.db2.gz VRUFDBMVCRAHNA-LBPRGKRZSA-N -1 1 285.343 2.796 20 0 CFADMM Fc1cccc(Oc2cncc(Cl)c2)c1-c1nnn[n-]1 ZINC000095218635 599528347 /nfs/dbraw/zinc/52/83/47/599528347.db2.gz MFVLSLKHWUWGCY-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM Fc1cccc(Oc2cncc(Cl)c2)c1-c1nn[n-]n1 ZINC000095218635 599528348 /nfs/dbraw/zinc/52/83/48/599528348.db2.gz MFVLSLKHWUWGCY-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM c1cc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)nc(-c2nnn[n-]2)c1 ZINC000823757013 599056721 /nfs/dbraw/zinc/05/67/21/599056721.db2.gz JITXSIBIQPJHRI-IJLUTSLNSA-N -1 1 284.367 2.642 20 0 CFADMM c1cc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)nc(-c2nn[n-]n2)c1 ZINC000823757013 599056724 /nfs/dbraw/zinc/05/67/24/599056724.db2.gz JITXSIBIQPJHRI-IJLUTSLNSA-N -1 1 284.367 2.642 20 0 CFADMM O=C([O-])C[C@H]1CCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000819380805 597076144 /nfs/dbraw/zinc/07/61/44/597076144.db2.gz VHHUJTCCHDEDLM-SNVBAGLBSA-N -1 1 292.310 2.654 20 0 CFADMM Cn1cncc1[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000821310936 597346134 /nfs/dbraw/zinc/34/61/34/597346134.db2.gz YJGDTPYDWHXREB-HNNXBMFYSA-N -1 1 299.374 2.846 20 0 CFADMM O=C([O-])C[C@H]1CCCN(Cc2csc(C3CC3)n2)C1 ZINC000694823414 597421171 /nfs/dbraw/zinc/42/11/71/597421171.db2.gz VVTKYQBYIZVAPM-SNVBAGLBSA-N -1 1 280.393 2.707 20 0 CFADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1cncc(F)c1 ZINC000820147700 598191932 /nfs/dbraw/zinc/19/19/32/598191932.db2.gz AMZGLKNTWBWCSV-SNVBAGLBSA-N -1 1 274.295 2.770 20 0 CFADMM O=C([O-])c1ccc(CNCc2cccnc2Cl)cc1 ZINC000740133067 599842553 /nfs/dbraw/zinc/84/25/53/599842553.db2.gz UGHKFNITLSSMJX-UHFFFAOYSA-N -1 1 276.723 2.723 20 0 CFADMM Cc1cc(NC(=O)c2ccc(Cl)cc2O)c(C(=O)[O-])[nH]1 ZINC000163404671 600250880 /nfs/dbraw/zinc/25/08/80/600250880.db2.gz FQAYMAISNTXMGX-UHFFFAOYSA-N -1 1 294.694 2.633 20 0 CFADMM O=C([O-])[C@@H]1CC12CCN(Cc1cccc(F)c1F)CC2 ZINC000405456709 600292339 /nfs/dbraw/zinc/29/23/39/600292339.db2.gz YTQZHQURERZTLA-NSHDSACASA-N -1 1 281.302 2.652 20 0 CFADMM O=C([O-])[C@H]1CC12CCN(Cc1ccc(F)c(F)c1)CC2 ZINC000405422331 600310798 /nfs/dbraw/zinc/31/07/98/600310798.db2.gz FBFSYIWHQNWZKU-LLVKDONJSA-N -1 1 281.302 2.652 20 0 CFADMM CN(Cc1occc1C(=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000830883061 600840454 /nfs/dbraw/zinc/84/04/54/600840454.db2.gz HLOWXJYEYWEEAU-AWEZNQCLSA-N -1 1 289.331 2.533 20 0 CFADMM COc1ccc(Cl)cc1CN(C)C/C=C(/C)C(=O)[O-] ZINC000832367586 601051016 /nfs/dbraw/zinc/05/10/16/601051016.db2.gz JCZGYHHESRXUQG-POHAHGRESA-N -1 1 283.755 2.811 20 0 CFADMM C/C(=C/CN1C[C@@H](c2ccccc2)OCC1(C)C)C(=O)[O-] ZINC000825736054 601162154 /nfs/dbraw/zinc/16/21/54/601162154.db2.gz UVOKCLSFLLSHQS-CTXBLAANSA-N -1 1 289.375 2.869 20 0 CFADMM C/C(=C\CN1CCC[C@H]1c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000825741521 601164301 /nfs/dbraw/zinc/16/43/01/601164301.db2.gz OTXLSOGAMVGRLX-LAHYYIKRSA-N -1 1 297.786 2.550 20 0 CFADMM C/C(=C\CN1CCc2cccc(F)c2[C@@H]1C)C(=O)[O-] ZINC000825746237 601171137 /nfs/dbraw/zinc/17/11/37/601171137.db2.gz GZXAPBJUSBZCRS-RUYJGKKWSA-N -1 1 263.312 2.776 20 0 CFADMM Cc1noc(C)c1CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000833020706 601204216 /nfs/dbraw/zinc/20/42/16/601204216.db2.gz ACHFGWJRKMZSPO-MEBBXXQBSA-N -1 1 288.347 2.843 20 0 CFADMM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262645603 601304742 /nfs/dbraw/zinc/30/47/42/601304742.db2.gz IIHMQTXAHWZOOG-WDEREUQCSA-N -1 1 280.368 2.830 20 0 CFADMM Cc1cc(CN2CCSC(C)(C)C2)oc1C(=O)[O-] ZINC000158879791 601328073 /nfs/dbraw/zinc/32/80/73/601328073.db2.gz JPDDQEOHYBRMFN-UHFFFAOYSA-N -1 1 269.366 2.614 20 0 CFADMM Cc1cc(C)cc(OCCCN2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000832879213 601440292 /nfs/dbraw/zinc/44/02/92/601440292.db2.gz ZPVRPTLXOCQUKA-INIZCTEOSA-N -1 1 295.354 2.571 20 0 CFADMM Cc1cc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])on1 ZINC000832883561 601654989 /nfs/dbraw/zinc/65/49/89/601654989.db2.gz XSKJNCSNYFHVRG-RISCZKNCSA-N -1 1 274.320 2.535 20 0 CFADMM O=C([O-])c1sccc1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000833348625 601827104 /nfs/dbraw/zinc/82/71/04/601827104.db2.gz NVCCFJVROOQBKM-GFCCVEGCSA-N -1 1 291.376 2.897 20 0 CFADMM O=C([O-])CCC1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000833226010 601842410 /nfs/dbraw/zinc/84/24/10/601842410.db2.gz XUUREKBTDDOFMD-UHFFFAOYSA-N -1 1 282.771 2.812 20 0 CFADMM C/C(=C/CN1CCC[C@H]1CC(=O)c1cccs1)C(=O)[O-] ZINC000825741419 602237641 /nfs/dbraw/zinc/23/76/41/602237641.db2.gz MVJMMVORBFFEQD-DSDFTUOUSA-N -1 1 293.388 2.816 20 0 CFADMM O=C([O-])N1CCC[C@H](Nc2ccnc3cc(F)ccc32)C1 ZINC000739927397 603233640 /nfs/dbraw/zinc/23/36/40/603233640.db2.gz GUOXNFOUIBBNLI-NSHDSACASA-N -1 1 289.310 2.928 20 0 CFADMM Cc1nc(C)c(CNCc2ccc(NC(=O)[O-])nc2)s1 ZINC000830727351 603558923 /nfs/dbraw/zinc/55/89/23/603558923.db2.gz IUAACDIXMPNCLB-UHFFFAOYSA-N -1 1 292.364 2.535 20 0 CFADMM C[C@@H](c1cccc(F)c1)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825631493 603794700 /nfs/dbraw/zinc/79/47/00/603794700.db2.gz YYIZPPXXNDAVDF-GXFFZTMASA-N -1 1 266.316 2.571 20 0 CFADMM CC(C)[C@@H](CCN(C)Cc1cccc(Cl)n1)NC(=O)[O-] ZINC000824104358 603823460 /nfs/dbraw/zinc/82/34/60/603823460.db2.gz FNKJCYAGXZDHLM-GFCCVEGCSA-N -1 1 299.802 2.849 20 0 CFADMM CN(Cc1cnc(Cl)s1)CC(C)(C)CNC(=O)[O-] ZINC000828411214 604217166 /nfs/dbraw/zinc/21/71/66/604217166.db2.gz OPBAKOSHJXMKSH-UHFFFAOYSA-N -1 1 291.804 2.522 20 0 CFADMM C[C@H](NC[C@H]1CCCN1C(=O)[O-])c1cccnc1Cl ZINC000825490532 604294941 /nfs/dbraw/zinc/29/49/41/604294941.db2.gz MABNDAGGVKUEPW-VHSXEESVSA-N -1 1 283.759 2.528 20 0 CFADMM C[C@@H](NC[C@@H]1CCCN1C(=O)[O-])c1cccnc1Cl ZINC000825490533 604294980 /nfs/dbraw/zinc/29/49/80/604294980.db2.gz MABNDAGGVKUEPW-ZJUUUORDSA-N -1 1 283.759 2.528 20 0 CFADMM CCCc1ccc(CN(C)[C@@H](COC(C)C)C(=O)[O-])cc1 ZINC000829566049 604398877 /nfs/dbraw/zinc/39/88/77/604398877.db2.gz AOHUGWSZUDRXNO-INIZCTEOSA-N -1 1 293.407 2.949 20 0 CFADMM Cc1csc(CN(C2CC2)C2CCN(C(=O)[O-])CC2)n1 ZINC000830666356 604418508 /nfs/dbraw/zinc/41/85/08/604418508.db2.gz DKWRYYDLFXCFHX-UHFFFAOYSA-N -1 1 295.408 2.558 20 0 CFADMM Cc1nc(CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)sc1C ZINC000830746862 604425663 /nfs/dbraw/zinc/42/56/63/604425663.db2.gz UODWVOIGJHELQZ-JQWIXIFHSA-N -1 1 297.424 2.628 20 0 CFADMM CC(C)(CC(=O)[O-])NCc1ncc(-c2ccccc2F)o1 ZINC000826542391 604441104 /nfs/dbraw/zinc/44/11/04/604441104.db2.gz UCYKPQVYJMTALD-UHFFFAOYSA-N -1 1 292.310 2.824 20 0 CFADMM O=C([O-])[C@H]1CCCN1Cc1ccc(-c2ccccc2)o1 ZINC000263433672 604524215 /nfs/dbraw/zinc/52/42/15/604524215.db2.gz SYSVUCRKXAJIEG-CQSZACIVSA-N -1 1 271.316 2.996 20 0 CFADMM C[C@@H](c1ccccn1)N(C)Cc1ccccc1CC(=O)[O-] ZINC000833549808 604564698 /nfs/dbraw/zinc/56/46/98/604564698.db2.gz OYRSVLCQJSJBMY-ZDUSSCGKSA-N -1 1 284.359 2.902 20 0 CFADMM O=C([O-])[C@H]1CC12CCN(Cc1ccc(Cl)o1)CC2 ZINC000833771746 604648357 /nfs/dbraw/zinc/64/83/57/604648357.db2.gz OMNCZUIUNXBGIF-SNVBAGLBSA-N -1 1 269.728 2.620 20 0 CFADMM C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833549953 605106768 /nfs/dbraw/zinc/10/67/68/605106768.db2.gz SSHPJZXEENYDIM-JTQLQIEISA-N -1 1 274.320 2.612 20 0 CFADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])[nH]2)[C@@H]1c1ccccc1 ZINC000833629815 605110829 /nfs/dbraw/zinc/11/08/29/605110829.db2.gz MRYZLQKPKHJCIF-ABAIWWIYSA-N -1 1 270.332 2.906 20 0 CFADMM C[C@H]1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000900483568 620681248 /nfs/dbraw/zinc/68/12/48/620681248.db2.gz FUJJUNXYYKHIHH-VIFPVBQESA-N -1 1 274.295 2.562 20 0 CFADMM C[C@@H]1CCN(Cc2ccccc2C(=O)[O-])C[C@H]1F ZINC000833616689 605491174 /nfs/dbraw/zinc/49/11/74/605491174.db2.gz ZVMWMDBXIHOVPN-ZWNOBZJWSA-N -1 1 251.301 2.565 20 0 CFADMM C[C@H](Oc1ccc(CN2CC[C@@H](C)[C@@H](F)C2)cc1)C(=O)[O-] ZINC000833541496 605491307 /nfs/dbraw/zinc/49/13/07/605491307.db2.gz NCTJUHDIOSRHPB-XUJVJEKNSA-N -1 1 295.354 2.718 20 0 CFADMM O=C([O-])N[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000834180609 605491762 /nfs/dbraw/zinc/49/17/62/605491762.db2.gz FNMISNDKRDRTKB-XYHHVPKHSA-N -1 1 278.327 2.571 20 0 CFADMM CCc1ncc(CN2CCCC[C@@H]2[C@H](C)NC(=O)[O-])s1 ZINC000833866230 605509453 /nfs/dbraw/zinc/50/94/53/605509453.db2.gz JQGXSIMOKODRDA-CMPLNLGQSA-N -1 1 297.424 2.716 20 0 CFADMM CCc1ncc(CN2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])s1 ZINC000833866235 605509559 /nfs/dbraw/zinc/50/95/59/605509559.db2.gz JQGXSIMOKODRDA-ZYHUDNBSSA-N -1 1 297.424 2.716 20 0 CFADMM O=C([O-])N1CCC[C@H]1[C@H]1CCCCN1Cc1cncs1 ZINC000834107275 605558933 /nfs/dbraw/zinc/55/89/33/605558933.db2.gz LZXKXNXQYZFAPK-OLZOCXBDSA-N -1 1 295.408 2.640 20 0 CFADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000833816559 605598897 /nfs/dbraw/zinc/59/88/97/605598897.db2.gz ZTUUVAZETCWSJO-CMPLNLGQSA-N -1 1 298.333 2.833 20 0 CFADMM O=C([O-])NC[C@@H]1CCCN1Cc1cnc(C2CCC2)s1 ZINC000834219469 605617497 /nfs/dbraw/zinc/61/74/97/605617497.db2.gz GYESAJPRQSUTSF-NSHDSACASA-N -1 1 295.408 2.643 20 0 CFADMM O=C([O-])N1CC[C@@H](N[C@@H](c2ccccc2)c2cccnc2)C1 ZINC000834085506 605981754 /nfs/dbraw/zinc/98/17/54/605981754.db2.gz SMXOJALWEWBAKB-CVEARBPZSA-N -1 1 297.358 2.513 20 0 CFADMM O=C([O-])N1CC[C@@H](N[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000834082227 605998550 /nfs/dbraw/zinc/99/85/50/605998550.db2.gz GQSQUGCWXRXBBL-ZBFHGGJFSA-N -1 1 297.358 2.513 20 0 CFADMM CCCOc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821139406 606132852 /nfs/dbraw/zinc/13/28/52/606132852.db2.gz XVUCLBZPAAIDGE-UHFFFAOYSA-N -1 1 299.334 2.861 20 0 CFADMM CCCOc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821139406 606132854 /nfs/dbraw/zinc/13/28/54/606132854.db2.gz XVUCLBZPAAIDGE-UHFFFAOYSA-N -1 1 299.334 2.861 20 0 CFADMM CCC(C)(C)CCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820847929 606135370 /nfs/dbraw/zinc/13/53/70/606135370.db2.gz MZJQITLEWOSILU-UHFFFAOYSA-N -1 1 294.380 2.911 20 0 CFADMM CCC(C)(C)CCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820847929 606135372 /nfs/dbraw/zinc/13/53/72/606135372.db2.gz MZJQITLEWOSILU-UHFFFAOYSA-N -1 1 294.380 2.911 20 0 CFADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2C2CCCCC2)c1 ZINC000823742479 606400361 /nfs/dbraw/zinc/40/03/61/606400361.db2.gz HBMQOPJFZMLVEJ-CQSZACIVSA-N -1 1 298.394 2.811 20 0 CFADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2C2CCCCC2)c1 ZINC000823742479 606400362 /nfs/dbraw/zinc/40/03/62/606400362.db2.gz HBMQOPJFZMLVEJ-CQSZACIVSA-N -1 1 298.394 2.811 20 0 CFADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@H]1C ZINC000820769299 606417502 /nfs/dbraw/zinc/41/75/02/606417502.db2.gz SCFHIFLVPGNGIM-PHIMTYICSA-N -1 1 294.362 2.507 20 0 CFADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@H]1C ZINC000820769299 606417504 /nfs/dbraw/zinc/41/75/04/606417504.db2.gz SCFHIFLVPGNGIM-PHIMTYICSA-N -1 1 294.362 2.507 20 0 CFADMM CCC[C@@H]1C[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821040914 606419910 /nfs/dbraw/zinc/41/99/10/606419910.db2.gz VINREKAGOQNRIB-APPZFPTMSA-N -1 1 278.747 2.516 20 0 CFADMM CCC[C@@H]1C[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821040914 606419912 /nfs/dbraw/zinc/41/99/12/606419912.db2.gz VINREKAGOQNRIB-APPZFPTMSA-N -1 1 278.747 2.516 20 0 CFADMM CCC1(CNc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000820967241 606428722 /nfs/dbraw/zinc/42/87/22/606428722.db2.gz MNKZATZKGVQFRJ-UHFFFAOYSA-N -1 1 284.776 2.579 20 0 CFADMM CCC1(CNc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000820967241 606428724 /nfs/dbraw/zinc/42/87/24/606428724.db2.gz MNKZATZKGVQFRJ-UHFFFAOYSA-N -1 1 284.776 2.579 20 0 CFADMM Fc1cccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000822792428 606439520 /nfs/dbraw/zinc/43/95/20/606439520.db2.gz WCYVPAHPKAYKDD-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM Fc1cccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000822792428 606439521 /nfs/dbraw/zinc/43/95/21/606439521.db2.gz WCYVPAHPKAYKDD-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM Fc1cccc(Oc2ccc3c[nH]nc3c2)c1-c1nnn[n-]1 ZINC000822792513 606439537 /nfs/dbraw/zinc/43/95/37/606439537.db2.gz ZHADZHQUVJAZTG-UHFFFAOYSA-N -1 1 296.265 2.674 20 0 CFADMM Fc1cccc(Oc2ccc3c[nH]nc3c2)c1-c1nn[n-]n1 ZINC000822792513 606439539 /nfs/dbraw/zinc/43/95/39/606439539.db2.gz ZHADZHQUVJAZTG-UHFFFAOYSA-N -1 1 296.265 2.674 20 0 CFADMM C[C@@H](c1ccc(F)cc1)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000820562784 606448561 /nfs/dbraw/zinc/44/85/61/606448561.db2.gz IYPPJZMNXAYNSZ-JTQLQIEISA-N -1 1 298.325 2.598 20 0 CFADMM C[C@@H](c1ccc(F)cc1)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000820562784 606448563 /nfs/dbraw/zinc/44/85/63/606448563.db2.gz IYPPJZMNXAYNSZ-JTQLQIEISA-N -1 1 298.325 2.598 20 0 CFADMM O=C(OC1CCCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823393549 606488080 /nfs/dbraw/zinc/48/80/80/606488080.db2.gz ZJCDYKUIZMTHNL-UHFFFAOYSA-N -1 1 292.364 2.808 20 0 CFADMM O=C(OC1CCCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823393549 606488081 /nfs/dbraw/zinc/48/80/81/606488081.db2.gz ZJCDYKUIZMTHNL-UHFFFAOYSA-N -1 1 292.364 2.808 20 0 CFADMM CCC[C@H](CC)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821014310 607092003 /nfs/dbraw/zinc/09/20/03/607092003.db2.gz DNXCUCZWZVYBHK-QMMMGPOBSA-N -1 1 280.353 2.664 20 0 CFADMM CCC[C@H](CC)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821014310 607092005 /nfs/dbraw/zinc/09/20/05/607092005.db2.gz DNXCUCZWZVYBHK-QMMMGPOBSA-N -1 1 280.353 2.664 20 0 CFADMM Fc1cccc(OC/C(Cl)=C\Cl)c1-c1nnn[n-]1 ZINC000826378190 607864677 /nfs/dbraw/zinc/86/46/77/607864677.db2.gz ZEBWPWPAJBRTQT-GQCTYLIASA-N -1 1 289.097 2.704 20 0 CFADMM Fc1cccc(OC/C(Cl)=C\Cl)c1-c1nn[n-]n1 ZINC000826378190 607864678 /nfs/dbraw/zinc/86/46/78/607864678.db2.gz ZEBWPWPAJBRTQT-GQCTYLIASA-N -1 1 289.097 2.704 20 0 CFADMM CCc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000825717174 607894881 /nfs/dbraw/zinc/89/48/81/607894881.db2.gz IHGJVGKRSIAKCQ-UHFFFAOYSA-N -1 1 266.308 2.568 20 0 CFADMM CCc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000825717174 607894882 /nfs/dbraw/zinc/89/48/82/607894882.db2.gz IHGJVGKRSIAKCQ-UHFFFAOYSA-N -1 1 266.308 2.568 20 0 CFADMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@H]2CCCC[C@H]12 ZINC000824962495 607901432 /nfs/dbraw/zinc/90/14/32/607901432.db2.gz UOFYVHFEJBRRGB-BZPMIXESSA-N -1 1 298.394 2.667 20 0 CFADMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@H]2CCCC[C@H]12 ZINC000824962495 607901433 /nfs/dbraw/zinc/90/14/33/607901433.db2.gz UOFYVHFEJBRRGB-BZPMIXESSA-N -1 1 298.394 2.667 20 0 CFADMM CC1(C)CN(c2cccc(-c3nnn[n-]3)n2)c2ccccc21 ZINC000824811808 607901513 /nfs/dbraw/zinc/90/15/13/607901513.db2.gz CXOOOBGQCDLLLM-UHFFFAOYSA-N -1 1 292.346 2.691 20 0 CFADMM CC1(C)CN(c2cccc(-c3nn[n-]n3)n2)c2ccccc21 ZINC000824811808 607901514 /nfs/dbraw/zinc/90/15/14/607901514.db2.gz CXOOOBGQCDLLLM-UHFFFAOYSA-N -1 1 292.346 2.691 20 0 CFADMM Cc1cc(Oc2cccc(-c3nnn[n-]3)n2)ccc1F ZINC000826272175 607902321 /nfs/dbraw/zinc/90/23/21/607902321.db2.gz XJAOJEFCSMXFAK-UHFFFAOYSA-N -1 1 271.255 2.502 20 0 CFADMM Cc1cc(Oc2cccc(-c3nn[n-]n3)n2)ccc1F ZINC000826272175 607902322 /nfs/dbraw/zinc/90/23/22/607902322.db2.gz XJAOJEFCSMXFAK-UHFFFAOYSA-N -1 1 271.255 2.502 20 0 CFADMM CC(C)(C)c1cc(NC(=O)C2CC2)c(-c2nnn[n-]2)s1 ZINC000824131200 607929947 /nfs/dbraw/zinc/92/99/47/607929947.db2.gz WZSRRTHBPZKJPE-UHFFFAOYSA-N -1 1 291.380 2.574 20 0 CFADMM CC(C)(C)c1cc(NC(=O)C2CC2)c(-c2nn[n-]n2)s1 ZINC000824131200 607929948 /nfs/dbraw/zinc/92/99/48/607929948.db2.gz WZSRRTHBPZKJPE-UHFFFAOYSA-N -1 1 291.380 2.574 20 0 CFADMM CCCOc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000825341697 608559603 /nfs/dbraw/zinc/55/96/03/608559603.db2.gz IBFXBUSEVBLWRY-UHFFFAOYSA-N -1 1 296.334 2.794 20 0 CFADMM CCCOc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000825341697 608559605 /nfs/dbraw/zinc/55/96/05/608559605.db2.gz IBFXBUSEVBLWRY-UHFFFAOYSA-N -1 1 296.334 2.794 20 0 CFADMM c1cc(-c2nn[n-]n2)sc1CN1CCCc2ccccc21 ZINC000826523806 608866822 /nfs/dbraw/zinc/86/68/22/608866822.db2.gz YJWNGLMLMCYPTJ-UHFFFAOYSA-N -1 1 297.387 2.881 20 0 CFADMM C[C@@H]1CC(CCn2ccnc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000824874285 608887785 /nfs/dbraw/zinc/88/77/85/608887785.db2.gz BQXGKXYGQUFQFP-QWRGUYRKSA-N -1 1 274.372 2.526 20 0 CFADMM C[C@@H]1CC(CCn2ccnc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000824874285 608887788 /nfs/dbraw/zinc/88/77/88/608887788.db2.gz BQXGKXYGQUFQFP-QWRGUYRKSA-N -1 1 274.372 2.526 20 0 CFADMM COc1cccc([O-])c1C(=O)Nc1cnn(CC(C)C)c1 ZINC000900876630 620724693 /nfs/dbraw/zinc/72/46/93/620724693.db2.gz VUFXPSKCMZNECI-UHFFFAOYSA-N -1 1 289.335 2.506 20 0 CFADMM CC[C@@]1(C)CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900884022 620725041 /nfs/dbraw/zinc/72/50/41/620725041.db2.gz CNNZGRVXIVRGPN-INIZCTEOSA-N -1 1 289.379 2.712 20 0 CFADMM CSCC(C)(C)NC(=O)c1c([O-])cccc1Cl ZINC000890874244 617927533 /nfs/dbraw/zinc/92/75/33/617927533.db2.gz 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622819610 /nfs/dbraw/zinc/81/96/10/622819610.db2.gz SORJRRKPKURIDO-CMDGGOBGSA-N -1 1 272.304 2.760 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1C(F)(F)F ZINC000913019687 622827192 /nfs/dbraw/zinc/82/71/92/622827192.db2.gz GZIDBCSZJAKUIL-SNVBAGLBSA-N -1 1 277.217 2.698 20 0 CFADMM CCCCC[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000821049252 622832275 /nfs/dbraw/zinc/83/22/75/622832275.db2.gz JOQNHFGZOFFHOU-LBPRGKRZSA-N -1 1 286.383 2.811 20 0 CFADMM CCCCC[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000821049252 622832280 /nfs/dbraw/zinc/83/22/80/622832280.db2.gz JOQNHFGZOFFHOU-LBPRGKRZSA-N -1 1 286.383 2.811 20 0 CFADMM CCCCC[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000821049251 622832460 /nfs/dbraw/zinc/83/24/60/622832460.db2.gz JOQNHFGZOFFHOU-GFCCVEGCSA-N -1 1 286.383 2.811 20 0 CFADMM CCCCC[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000821049251 622832465 /nfs/dbraw/zinc/83/24/65/622832465.db2.gz JOQNHFGZOFFHOU-GFCCVEGCSA-N -1 1 286.383 2.811 20 0 CFADMM O=C(OCCC(F)(F)F)c1cc(-c2ccco2)n[nH]1 ZINC000913298972 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ZINC000822626401 623138549 /nfs/dbraw/zinc/13/85/49/623138549.db2.gz HOYDIMLGHLVIRO-VXNVDRBHSA-N -1 1 293.348 2.557 20 0 CFADMM C[C@@H](Cc1nc2ccccc2s1)[N-]C(=O)C(F)(F)F ZINC000171479005 623225486 /nfs/dbraw/zinc/22/54/86/623225486.db2.gz CQINVBDZYWBSCN-ZETCQYMHSA-N -1 1 288.294 2.906 20 0 CFADMM CC[C@H](C)CCCCC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913744371 623573966 /nfs/dbraw/zinc/57/39/66/623573966.db2.gz LIGMFBNAVVZWTR-LBPRGKRZSA-N -1 1 293.415 2.512 20 0 CFADMM CCC[C@@H](C)NC(=O)NCCc1c(F)cc([O-])cc1F ZINC000913851359 623619924 /nfs/dbraw/zinc/61/99/24/623619924.db2.gz IAYMRWSXXLJZFT-SECBINFHSA-N -1 1 286.322 2.701 20 0 CFADMM CN(C(=O)c1csc(C2CCCCC2)c1)c1nn[n-]n1 ZINC000825530005 623709454 /nfs/dbraw/zinc/70/94/54/623709454.db2.gz AXUPDJFBCVNBHZ-UHFFFAOYSA-N -1 1 291.380 2.586 20 0 CFADMM Fc1cccc(SCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826378201 623802667 /nfs/dbraw/zinc/80/26/67/623802667.db2.gz ZLHVDYOFOSNYME-UHFFFAOYSA-N -1 1 287.323 2.693 20 0 CFADMM Fc1cccc(SCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826378201 623802674 /nfs/dbraw/zinc/80/26/74/623802674.db2.gz ZLHVDYOFOSNYME-UHFFFAOYSA-N -1 1 287.323 2.693 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H]2CSC[C@H]2C1 ZINC000827181437 623960920 /nfs/dbraw/zinc/96/09/20/623960920.db2.gz NCJRAJALSBQDCW-NXEZZACHSA-N -1 1 297.807 2.871 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H]2CSC[C@H]2C1 ZINC000827181439 623960969 /nfs/dbraw/zinc/96/09/69/623960969.db2.gz NCJRAJALSBQDCW-VHSXEESVSA-N -1 1 297.807 2.871 20 0 CFADMM C[C@H](CSc1nncs1)C(=O)c1ccc([O-])cc1 ZINC000915930213 624190690 /nfs/dbraw/zinc/19/06/90/624190690.db2.gz UESAKKLBARUSMG-MRVPVSSYSA-N -1 1 280.374 2.855 20 0 CFADMM CCn1cnnc1SC[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000916399595 624244275 /nfs/dbraw/zinc/24/42/75/624244275.db2.gz SFGNDFMBQWEJHD-JTQLQIEISA-N -1 1 291.376 2.615 20 0 CFADMM CC(=O)[C@@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(C)C ZINC000828893315 624323047 /nfs/dbraw/zinc/32/30/47/624323047.db2.gz JLWZKFRKVHMJQV-LBPRGKRZSA-N -1 1 288.702 2.955 20 0 CFADMM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1F ZINC000917347864 624334526 /nfs/dbraw/zinc/33/45/26/624334526.db2.gz NGTIKIIIXWGETL-LLVKDONJSA-N -1 1 275.308 2.871 20 0 CFADMM CCc1cc(=O)[n-]c(SC[C@@H](COC)C(C)C)n1 ZINC000917512276 624350810 /nfs/dbraw/zinc/35/08/10/624350810.db2.gz CYNRMWLWWIOZIZ-SNVBAGLBSA-N -1 1 270.398 2.755 20 0 CFADMM CCc1cc(=O)[n-]c(SC[C@@H]2CC[C@H](C3CC3)O2)n1 ZINC000917513562 624350975 /nfs/dbraw/zinc/35/09/75/624350975.db2.gz XGXYOHVWLMMJLZ-NWDGAFQWSA-N -1 1 280.393 2.794 20 0 CFADMM CCc1cc(=O)[n-]c(SC[C@H]2CC[C@@H](C3CC3)O2)n1 ZINC000917513561 624351040 /nfs/dbraw/zinc/35/10/40/624351040.db2.gz XGXYOHVWLMMJLZ-NEPJUHHUSA-N -1 1 280.393 2.794 20 0 CFADMM C[C@H]1CCC[C@@H](C2CN(C(=O)c3cncc([O-])c3)C2)C1 ZINC000829116579 624376219 /nfs/dbraw/zinc/37/62/19/624376219.db2.gz ADYAQGJYRWJBSS-NWDGAFQWSA-N -1 1 274.364 2.686 20 0 CFADMM CCCCC[C@@H](CC)C(=O)N[C@H](CCC)c1nn[n-]n1 ZINC000181220568 625080686 /nfs/dbraw/zinc/08/06/86/625080686.db2.gz MMLLVDSCTWFGMN-VXGBXAGGSA-N -1 1 281.404 2.764 20 0 CFADMM O=C(NC[C@@H]1CCCC2(CCC2)O1)c1ccc([O-])c(F)c1 ZINC000832315724 625276471 /nfs/dbraw/zinc/27/64/71/625276471.db2.gz OOJFKIOUAZLFJI-LBPRGKRZSA-N -1 1 293.338 2.753 20 0 CFADMM Cc1cnc(C(=O)N[C@@H]2CCSC3(CCC3)C2)c([O-])c1 ZINC000834735409 625819741 /nfs/dbraw/zinc/81/97/41/625819741.db2.gz RIUVPKNAVSVVIY-LLVKDONJSA-N -1 1 292.404 2.644 20 0 CFADMM C[C@H](CC(=O)NCc1ccc([O-])c(Cl)c1)n1cccn1 ZINC000834821551 625879262 /nfs/dbraw/zinc/87/92/62/625879262.db2.gz AYUAXPURUXXVQE-SNVBAGLBSA-N -1 1 293.754 2.510 20 0 CFADMM CC[C@@H]1C[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834823188 625882957 /nfs/dbraw/zinc/88/29/57/625882957.db2.gz VTRQKPQJURRVGB-NXEZZACHSA-N -1 1 253.729 2.708 20 0 CFADMM CCCn1cc(C(=O)NCc2ccc([O-])c(Cl)c2)cn1 ZINC000834825992 625885677 /nfs/dbraw/zinc/88/56/77/625885677.db2.gz PEGOFSLFMFWJTH-UHFFFAOYSA-N -1 1 293.754 2.582 20 0 CFADMM CSCCCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834829301 625886686 /nfs/dbraw/zinc/88/66/86/625886686.db2.gz RZBXHALMJPDIGO-UHFFFAOYSA-N -1 1 273.785 2.805 20 0 CFADMM C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834828879 625888663 /nfs/dbraw/zinc/88/86/63/625888663.db2.gz CEGBZNAZIOSFAL-JOYOIKCWSA-N -1 1 295.766 2.667 20 0 CFADMM O=C(N[C@H]1CCOC12CCCCC2)c1c([O-])cccc1F ZINC000888307396 625974427 /nfs/dbraw/zinc/97/44/27/625974427.db2.gz DHFMQJZOHYSWIY-ZDUSSCGKSA-N -1 1 293.338 2.753 20 0 CFADMM O=S(=O)([N-]CCC1CC=CC1)c1ccc(C(F)F)o1 ZINC000921624361 626001029 /nfs/dbraw/zinc/00/10/29/626001029.db2.gz ZMPCKOCKDMABBU-UHFFFAOYSA-N -1 1 291.319 2.852 20 0 CFADMM C/C(=C/CN(C)Cc1ccc(Cl)s1)C(=O)[O-] ZINC000084002669 626005431 /nfs/dbraw/zinc/00/54/31/626005431.db2.gz KQABAQUOUMYBRQ-YVMONPNESA-N -1 1 259.758 2.864 20 0 CFADMM O=C(NN=c1c(F)c(F)[n-]c(F)c1F)C1CCCCC1 ZINC000015981392 626164319 /nfs/dbraw/zinc/16/43/19/626164319.db2.gz YYUPAMWPKRXSMN-UHFFFAOYSA-N -1 1 291.248 2.661 20 0 CFADMM O=C(N[C@H]1CCC[C@@]12CCCO2)c1c([O-])cccc1Cl ZINC000922309388 626264967 /nfs/dbraw/zinc/26/49/67/626264967.db2.gz QZNQHQXGRHGDAA-SWLSCSKDSA-N -1 1 295.766 2.877 20 0 CFADMM O=C(N[C@H]1CCC[C@]12CCCO2)c1c([O-])cccc1Cl ZINC000922309389 626265162 /nfs/dbraw/zinc/26/51/62/626265162.db2.gz QZNQHQXGRHGDAA-WFASDCNBSA-N -1 1 295.766 2.877 20 0 CFADMM O=C(NC1CCCCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186777860 626398871 /nfs/dbraw/zinc/39/88/71/626398871.db2.gz BSKFWBLGJKRSCN-UHFFFAOYSA-N -1 1 293.323 2.538 20 0 CFADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2coc(C3CC3)n2)C1 ZINC000923474491 626475380 /nfs/dbraw/zinc/47/53/80/626475380.db2.gz XQBQNWXEOBUHSB-OAHLLOKOSA-N -1 1 278.352 2.629 20 0 CFADMM O=C(C[C@H](c1ccc(O)cc1)C1CC1)[N-]OCC(F)F ZINC000839725731 626553454 /nfs/dbraw/zinc/55/34/54/626553454.db2.gz JPSGBYIQGJUEMU-LBPRGKRZSA-N -1 1 285.290 2.589 20 0 CFADMM Cc1noc(C)c1[N-]C(=O)c1nc(Cl)ccc1F ZINC000758795987 626608282 /nfs/dbraw/zinc/60/82/82/626608282.db2.gz PJMNMTSXEIGVON-UHFFFAOYSA-N -1 1 269.663 2.731 20 0 CFADMM CC1(CC(=O)OCc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000758808242 626608787 /nfs/dbraw/zinc/60/87/87/626608787.db2.gz AQBHNBJJUCUCCK-UHFFFAOYSA-N -1 1 288.299 2.732 20 0 CFADMM COc1ccc([C@H](C)CC(=O)[N-]OCC(F)F)cc1 ZINC000759323916 626644898 /nfs/dbraw/zinc/64/48/98/626644898.db2.gz NSNRRXAXYUICCA-SECBINFHSA-N -1 1 273.279 2.502 20 0 CFADMM O=C(CCc1ccc(Cl)cc1)[N-]OCC(F)F ZINC000759337851 626645681 /nfs/dbraw/zinc/64/56/81/626645681.db2.gz MPLXJRLCZIGTDX-UHFFFAOYSA-N -1 1 263.671 2.586 20 0 CFADMM O=C([N-]c1nc(C2CC2)no1)c1ccc(F)c(F)c1F ZINC000760124765 626715124 /nfs/dbraw/zinc/71/51/24/626715124.db2.gz LAAXYLCLUJFFAW-UHFFFAOYSA-N -1 1 283.209 2.617 20 0 CFADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc[nH]1 ZINC000760742505 626769531 /nfs/dbraw/zinc/76/95/31/626769531.db2.gz ZKYYVGMIOWVRLV-QMMMGPOBSA-N -1 1 264.712 2.865 20 0 CFADMM C[C@]1(CNC(=O)c2c([O-])cccc2Cl)CCCC[C@H]1O ZINC000762547456 626923257 /nfs/dbraw/zinc/92/32/57/626923257.db2.gz DBKDGBSQRZCOFA-IUODEOHRSA-N -1 1 297.782 2.717 20 0 CFADMM CCOCCC1(C(=O)[N-]O[C@H]2CCCCO2)CCCC1 ZINC000763316003 626978842 /nfs/dbraw/zinc/97/88/42/626978842.db2.gz BESXTRITGVDRBO-ZDUSSCGKSA-N -1 1 285.384 2.548 20 0 CFADMM CN(CC(F)(F)F)C(=O)c1c([O-])cccc1Cl ZINC000763814796 627015303 /nfs/dbraw/zinc/01/53/03/627015303.db2.gz LXPAJJBQFMMCFD-UHFFFAOYSA-N -1 1 267.634 2.680 20 0 CFADMM CCC1(CO)CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000765420548 627136115 /nfs/dbraw/zinc/13/61/15/627136115.db2.gz HKDTVEHUFRJLKZ-UHFFFAOYSA-N -1 1 297.782 2.670 20 0 CFADMM O=C(CCc1cncc2ccccc21)[N-]OCC(F)(F)F ZINC000765589252 627149516 /nfs/dbraw/zinc/14/95/16/627149516.db2.gz BBEVDIRPFPJSLK-UHFFFAOYSA-N -1 1 298.264 2.778 20 0 CFADMM O=C([N-][C@H]1C[C@@H]1C(F)F)C(F)(F)c1c(F)cccc1F ZINC000805308800 627150985 /nfs/dbraw/zinc/15/09/85/627150985.db2.gz FIZVYMSHWNVTCC-XNCJUZBTSA-N -1 1 297.198 2.826 20 0 CFADMM C[C@H](CC(=O)[N-]OCC(F)(F)F)c1ccccc1F ZINC000766771116 627220210 /nfs/dbraw/zinc/22/02/10/627220210.db2.gz HMALPGFTNXVSEA-MRVPVSSYSA-N -1 1 279.233 2.929 20 0 CFADMM COc1cccc([C@@H](C)CC(=O)[N-]OCC(F)(F)F)c1 ZINC000766783523 627220560 /nfs/dbraw/zinc/22/05/60/627220560.db2.gz FQQZIOCPTYOUGJ-VIFPVBQESA-N -1 1 291.269 2.799 20 0 CFADMM O=C(Nc1ccc(Cl)nc1)c1ccc([O-])c(F)c1 ZINC000767302094 627242468 /nfs/dbraw/zinc/24/24/68/627242468.db2.gz QPCGKMILBYOYEL-UHFFFAOYSA-N -1 1 266.659 2.832 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(Cl)nc1 ZINC000768259232 627328813 /nfs/dbraw/zinc/32/88/13/627328813.db2.gz TUZINKYIFZMEKW-UHFFFAOYSA-N -1 1 266.659 2.832 20 0 CFADMM O=S(=O)(/C=C/c1cccc(Cl)c1)[N-]c1cncnc1 ZINC000768889548 627384282 /nfs/dbraw/zinc/38/42/82/627384282.db2.gz GCVCFGXQZDIHFB-SNAWJCMRSA-N -1 1 295.751 2.543 20 0 CFADMM CN1CCCC[C@@H]1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769243514 627414968 /nfs/dbraw/zinc/41/49/68/627414968.db2.gz KLBQDBOCWFZEJQ-LLVKDONJSA-N -1 1 291.376 2.539 20 0 CFADMM Cc1nc(SCCC[N-]C(=O)C(F)(F)F)sc1C ZINC000769470818 627445229 /nfs/dbraw/zinc/44/52/29/627445229.db2.gz OCTWWUXSJALQNI-UHFFFAOYSA-N -1 1 298.355 2.921 20 0 CFADMM C[C@@H]1C[C@H](C)CN1C(=O)c1c([O-])cccc1Cl ZINC000769911523 627486966 /nfs/dbraw/zinc/48/69/66/627486966.db2.gz PNEOVBJESPGDNP-DTWKUNHWSA-N -1 1 253.729 2.916 20 0 CFADMM CN(C(=O)c1c([O-])cccc1Cl)[C@H]1CCSC1 ZINC000770120453 627503496 /nfs/dbraw/zinc/50/34/96/627503496.db2.gz CGXFZJUCKAUNBF-QMMMGPOBSA-N -1 1 271.769 2.623 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1nc(Cl)ccc1F ZINC000770863897 627552273 /nfs/dbraw/zinc/55/22/73/627552273.db2.gz WDGPGUGIZIWWFY-UHFFFAOYSA-N -1 1 284.649 2.971 20 0 CFADMM O=C(OCc1ncc(C2CC2)o1)c1ccc([O-])cc1F ZINC000773574178 627839346 /nfs/dbraw/zinc/83/93/46/627839346.db2.gz ASGJZXJXBGMTQE-UHFFFAOYSA-N -1 1 277.251 2.754 20 0 CFADMM Cc1ccc(C(=O)Nc2cc(=O)c(Cl)c[nH]2)c([O-])c1 ZINC000774294442 627912998 /nfs/dbraw/zinc/91/29/98/627912998.db2.gz WOBYYLHZTXBEFT-UHFFFAOYSA-N -1 1 278.695 2.707 20 0 CFADMM O=C([N-]O[C@@H]1CCCCO1)Nc1scnc1C1CC1 ZINC000775691784 628055947 /nfs/dbraw/zinc/05/59/47/628055947.db2.gz WECWXQQGGDEJHN-SECBINFHSA-N -1 1 283.353 2.600 20 0 CFADMM Cc1nc(SCC(F)(F)C(F)F)[n-]c(=O)c1C ZINC000776868871 628183751 /nfs/dbraw/zinc/18/37/51/628183751.db2.gz TXUUAWHQCBXKAR-UHFFFAOYSA-N -1 1 270.251 2.792 20 0 CFADMM O=c1cc(CN2CC[C@H]2C(F)(F)F)c2ccc([O-])cc2o1 ZINC000852060816 634639547 /nfs/dbraw/zinc/63/95/47/634639547.db2.gz XTHHIZQPMUIFIM-LBPRGKRZSA-N -1 1 299.248 2.635 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@H]1c1ncc[nH]1 ZINC000777456751 628227666 /nfs/dbraw/zinc/22/76/66/628227666.db2.gz DSYPJKMNCAZQEU-SNVBAGLBSA-N -1 1 291.738 2.746 20 0 CFADMM Cc1cnc(C(=O)N2Cc3ccccc3[C@H](C)C2)c([O-])c1 ZINC000778310502 628296062 /nfs/dbraw/zinc/29/60/62/628296062.db2.gz VTHPKJSAGCUURM-GFCCVEGCSA-N -1 1 282.343 2.855 20 0 CFADMM CC(C)Oc1ccc(COC(=O)c2cn[n-]n2)cc1Cl ZINC000805607843 628308340 /nfs/dbraw/zinc/30/83/40/628308340.db2.gz RXNYZOBWBXAKCQ-UHFFFAOYSA-N -1 1 295.726 2.602 20 0 CFADMM CCC(CC)[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)CCO1 ZINC000778487514 628309893 /nfs/dbraw/zinc/30/98/93/628309893.db2.gz IKWXXYJAGNJBIO-UWVGGRQHSA-N -1 1 267.291 2.649 20 0 CFADMM CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1c([O-])cccc1Cl ZINC000778505813 628311455 /nfs/dbraw/zinc/31/14/55/628311455.db2.gz TTXXEOYEGBVQFF-CMPLNLGQSA-N -1 1 297.782 2.669 20 0 CFADMM C[C@](O)(CC(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000779322757 628374074 /nfs/dbraw/zinc/37/40/74/628374074.db2.gz BZAGZRLYJQZQLC-INIZCTEOSA-N -1 1 277.364 2.665 20 0 CFADMM CC1(C)CC[C@H](CNC(=O)c2c([O-])cccc2Cl)O1 ZINC000779331215 628374341 /nfs/dbraw/zinc/37/43/41/628374341.db2.gz GQYQOBANQPMNCY-SECBINFHSA-N -1 1 283.755 2.733 20 0 CFADMM Cc1nc2cc(NC(=O)c3n[nH]c(C)c3[O-])ccc2s1 ZINC000781407053 628546400 /nfs/dbraw/zinc/54/64/00/628546400.db2.gz VASKCHLJRUFMFW-UHFFFAOYSA-N -1 1 288.332 2.594 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](F)C(C)C)c1 ZINC000784310671 628804322 /nfs/dbraw/zinc/80/43/22/628804322.db2.gz MOHMWSHFDYBZAL-CQSZACIVSA-N -1 1 282.311 2.675 20 0 CFADMM CCc1ccc(C(=O)Nc2cc(Cl)[nH]n2)c([O-])c1 ZINC000787134653 628995617 /nfs/dbraw/zinc/99/56/17/628995617.db2.gz YGSPRPYIHUGGBI-UHFFFAOYSA-N -1 1 265.700 2.583 20 0 CFADMM COC[C@@H]([N-]C(=O)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000787378829 629010260 /nfs/dbraw/zinc/01/02/60/629010260.db2.gz SNYFGOZKRYEFTP-SECBINFHSA-N -1 1 297.223 2.774 20 0 CFADMM C[C@@H](C(=O)[N-]OCC(C)(C)O)c1ccc2ccccc2c1 ZINC000788224775 629051890 /nfs/dbraw/zinc/05/18/90/629051890.db2.gz SIMAPVSGNILBDW-GFCCVEGCSA-N -1 1 287.359 2.762 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1nc(Cl)cs1 ZINC000790006853 629203312 /nfs/dbraw/zinc/20/33/12/629203312.db2.gz LPLOUDBBQXWGFE-UHFFFAOYSA-N -1 1 272.688 2.894 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H](F)Cc1ccccc1 ZINC000790051231 629205600 /nfs/dbraw/zinc/20/56/00/629205600.db2.gz OGQGQBCSZWWOHD-JTQLQIEISA-N -1 1 294.713 2.960 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc2cc[nH]c2n1 ZINC000790050543 629205720 /nfs/dbraw/zinc/20/57/20/629205720.db2.gz FHOMOSSHTILSDZ-UHFFFAOYSA-N -1 1 288.694 2.569 20 0 CFADMM CCC1=C(C(=O)Nc2c([O-])cccc2F)CCCO1 ZINC000790821370 629266660 /nfs/dbraw/zinc/26/66/60/629266660.db2.gz JHVOFRITMNGCHR-UHFFFAOYSA-N -1 1 265.284 2.944 20 0 CFADMM CC[C@@H](OC(=O)c1ccc([O-])cc1F)C(=O)OC(C)(C)C ZINC000791439992 629315915 /nfs/dbraw/zinc/31/59/15/629315915.db2.gz RYVLSBIOIXHYKF-GFCCVEGCSA-N -1 1 298.310 2.808 20 0 CFADMM CSc1ccncc1[N-]C(=O)c1ccnc(F)c1F ZINC000792215122 629411740 /nfs/dbraw/zinc/41/17/40/629411740.db2.gz IGCHBPNWMKQHDR-UHFFFAOYSA-N -1 1 281.287 2.729 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@@H](C)c2ccccc2)[n-]1 ZINC000796369056 629909936 /nfs/dbraw/zinc/90/99/36/629909936.db2.gz KPMJYXFGWGRUDN-JTQLQIEISA-N -1 1 273.288 2.719 20 0 CFADMM COC(=O)c1ccc(C(=O)Oc2ccc3ccncc3c2)[n-]1 ZINC000796733402 629957127 /nfs/dbraw/zinc/95/71/27/629957127.db2.gz UNPMIABYCKYILS-UHFFFAOYSA-N -1 1 296.282 2.569 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@@H]2CC[C@@H](C)[C@@H](C)C2)[n-]1 ZINC000797096844 630016570 /nfs/dbraw/zinc/01/65/70/630016570.db2.gz IBUITRXLSCGKBA-OUAUKWLOSA-N -1 1 279.336 2.783 20 0 CFADMM CCc1occc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000797757658 630100584 /nfs/dbraw/zinc/10/05/84/630100584.db2.gz HFIQJKSMHYQJOR-UHFFFAOYSA-N -1 1 266.684 2.848 20 0 CFADMM O=C(OCC1CCC1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801325652 630441643 /nfs/dbraw/zinc/44/16/43/630441643.db2.gz HISRMQHAIFAEDN-UHFFFAOYSA-N -1 1 290.294 2.674 20 0 CFADMM CC[C@H](C)OC(=O)c1nn(-c2ccc(C)cc2)cc1[O-] ZINC000801368047 630442844 /nfs/dbraw/zinc/44/28/44/630442844.db2.gz SHPKALSIVMGFTB-NSHDSACASA-N -1 1 274.320 2.842 20 0 CFADMM Cc1cccc(-n2cc([O-])c(C(=O)OCCCF)n2)c1C ZINC000801416648 630445987 /nfs/dbraw/zinc/44/59/87/630445987.db2.gz JQEQWYJRBOWNCY-UHFFFAOYSA-N -1 1 292.310 2.711 20 0 CFADMM Cc1ccc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)c(Cl)n1 ZINC000852729222 634816950 /nfs/dbraw/zinc/81/69/50/634816950.db2.gz ANTOYMCEGCNXSN-JOYOIKCWSA-N -1 1 282.771 2.586 20 0 CFADMM Cc1ccc(-n2cc([O-])c(C(=O)OCCCCF)n2)cc1 ZINC000803525329 630626823 /nfs/dbraw/zinc/62/68/23/630626823.db2.gz MWMYXFZDVDOJNW-UHFFFAOYSA-N -1 1 292.310 2.793 20 0 CFADMM C[C@H]1CSC[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC000804501223 630688226 /nfs/dbraw/zinc/68/82/26/630688226.db2.gz VSOABPTVNSIPGK-CBAPKCEASA-N -1 1 271.769 2.527 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CC1(Cl)Cl ZINC000837087138 630951709 /nfs/dbraw/zinc/95/17/09/630951709.db2.gz CXMAOJGIIVFXJV-SCSAIBSYSA-N -1 1 282.073 2.803 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC(C(C)(C)C)C1 ZINC000837270486 630990681 /nfs/dbraw/zinc/99/06/81/630990681.db2.gz LGPAPUQWHQDURM-UHFFFAOYSA-N -1 1 291.395 2.732 20 0 CFADMM COC1(CCOC(=O)c2cc(-c3ccco3)n[nH]2)CCC1 ZINC000809047268 631070993 /nfs/dbraw/zinc/07/09/93/631070993.db2.gz NVWBJGAVAWXXFY-UHFFFAOYSA-N -1 1 290.319 2.786 20 0 CFADMM CCCOC(=O)[C@@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000809987437 631309486 /nfs/dbraw/zinc/30/94/86/631309486.db2.gz XTRTUUJSLVZKDL-ZCFIWIBFSA-N -1 1 292.307 2.554 20 0 CFADMM Cc1cc(OS(=O)(=O)c2c[n-]cn2)ccc1C(C)C ZINC000121505462 631391460 /nfs/dbraw/zinc/39/14/60/631391460.db2.gz LSPNDKKSNJNIOP-UHFFFAOYSA-N -1 1 280.349 2.609 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)C1SCCCS1 ZINC000841439167 631404780 /nfs/dbraw/zinc/40/47/80/631404780.db2.gz FXOYXBPDIUFUHW-UHFFFAOYSA-N -1 1 291.344 2.805 20 0 CFADMM CO[C@H](CNC(=O)c1c([O-])cccc1Cl)CC(C)C ZINC000841446901 631405439 /nfs/dbraw/zinc/40/54/39/631405439.db2.gz XWBWDFZOLVFCQS-JTQLQIEISA-N -1 1 285.771 2.837 20 0 CFADMM O=C([O-])[C@H](F)CNCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000841814741 631474334 /nfs/dbraw/zinc/47/43/34/631474334.db2.gz AYZDJUKZWHPZNX-SECBINFHSA-N -1 1 299.651 2.871 20 0 CFADMM CC(C)N(C)C(=O)[C@H](C)O[N-]C(=O)CCC1CCCCC1 ZINC000842029268 631506049 /nfs/dbraw/zinc/50/60/49/631506049.db2.gz ZCSYVWMNRZXWKD-ZDUSSCGKSA-N -1 1 298.427 2.650 20 0 CFADMM C[C@H](O[N-]C(=O)CC(C)(C)C)C(=O)N(C)c1ccccc1 ZINC000842061197 631519032 /nfs/dbraw/zinc/51/90/32/631519032.db2.gz VZSKROCHALVTJW-LBPRGKRZSA-N -1 1 292.379 2.522 20 0 CFADMM Cc1ccccc1NC(=O)[C@H](C)O[N-]C(=O)CC(C)(C)C ZINC000842061543 631520450 /nfs/dbraw/zinc/52/04/50/631520450.db2.gz ZKLLADBCCBESKP-LBPRGKRZSA-N -1 1 292.379 2.806 20 0 CFADMM CC(C)OCCONC(=O)c1ccc2ccccc2c1[O-] ZINC000812808355 631786918 /nfs/dbraw/zinc/78/69/18/631786918.db2.gz FHVCLLMGNHKNQN-UHFFFAOYSA-N -1 1 289.331 2.632 20 0 CFADMM CCCCCc1ccc(OS(=O)(=O)c2c[n-]cn2)cc1 ZINC000121530484 631882455 /nfs/dbraw/zinc/88/24/55/631882455.db2.gz WVUJBJAGFLPKMQ-UHFFFAOYSA-N -1 1 294.376 2.910 20 0 CFADMM CCO[N-]C(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000843761889 632051335 /nfs/dbraw/zinc/05/13/35/632051335.db2.gz RPAUKCDJQNGWAT-LLVKDONJSA-N -1 1 284.153 2.547 20 0 CFADMM CC[C@H](C)CO[N-]C(=O)C1(CC(=O)OC(C)(C)C)CCC1 ZINC000843893850 632073776 /nfs/dbraw/zinc/07/37/76/632073776.db2.gz RPXVVJLAFRGGGV-LBPRGKRZSA-N -1 1 299.411 2.982 20 0 CFADMM CCSCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000814739884 632115998 /nfs/dbraw/zinc/11/59/98/632115998.db2.gz GFOGWLBEQRBKRQ-UHFFFAOYSA-N -1 1 286.422 2.867 20 0 CFADMM CCSCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000814739884 632116005 /nfs/dbraw/zinc/11/60/05/632116005.db2.gz GFOGWLBEQRBKRQ-UHFFFAOYSA-N -1 1 286.422 2.867 20 0 CFADMM O=C(NCC1SCCS1)c1c([O-])cccc1Cl ZINC000856162374 635743404 /nfs/dbraw/zinc/74/34/04/635743404.db2.gz XHFHYCNUCPJKJJ-UHFFFAOYSA-N -1 1 289.809 2.582 20 0 CFADMM Cc1ccc(/C=C\S(=O)(=O)[N-]CC(C)(F)F)cc1 ZINC000815066964 632194146 /nfs/dbraw/zinc/19/41/46/632194146.db2.gz LZGNBSOZWNIKGB-FPLPWBNLSA-N -1 1 275.320 2.540 20 0 CFADMM COC1(CCOC(=O)c2c([O-])cc(F)cc2F)CCC1 ZINC000815202337 632227654 /nfs/dbraw/zinc/22/76/54/632227654.db2.gz QSDCYSBBCQLFOM-UHFFFAOYSA-N -1 1 286.274 2.786 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844988771 632352903 /nfs/dbraw/zinc/35/29/03/632352903.db2.gz BGWYIGWTSMJJQU-BETUJISGSA-N -1 1 289.281 2.883 20 0 CFADMM CCC[C@@H](NC(=O)C=CC1CCCCCC1)c1nn[n-]n1 ZINC000845730772 632538213 /nfs/dbraw/zinc/53/82/13/632538213.db2.gz PAHNXHZIADSHSU-OCHBPSSRSA-N -1 1 291.399 2.684 20 0 CFADMM CCC[C@@H](NC(=O)/C=C/C1CCCCCC1)c1nn[n-]n1 ZINC000845730772 632538217 /nfs/dbraw/zinc/53/82/17/632538217.db2.gz PAHNXHZIADSHSU-OCHBPSSRSA-N -1 1 291.399 2.684 20 0 CFADMM CC[C@@H](C)CO[N-]C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000816974453 632539934 /nfs/dbraw/zinc/53/99/34/632539934.db2.gz CKYKEAPUYGLGSA-LLVKDONJSA-N -1 1 288.347 2.577 20 0 CFADMM C[C@@H](C(=O)[N-]OCC(F)F)c1ccc(Cl)cc1 ZINC000845944143 632602359 /nfs/dbraw/zinc/60/23/59/632602359.db2.gz NJGMCVOIHXIRSX-SSDOTTSWSA-N -1 1 263.671 2.756 20 0 CFADMM C[C@H](COc1ccccc1)C(=O)[N-]OCCC1CC1 ZINC000817425506 632630716 /nfs/dbraw/zinc/63/07/16/632630716.db2.gz GECZAAISZOQHFN-GFCCVEGCSA-N -1 1 263.337 2.549 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H](O)C12CCCC2 ZINC000817573632 632666684 /nfs/dbraw/zinc/66/66/84/632666684.db2.gz CBUFISZUFMBLTG-GFCCVEGCSA-N -1 1 295.766 2.565 20 0 CFADMM C[C@H]1CCOCCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000846248292 632673467 /nfs/dbraw/zinc/67/34/67/632673467.db2.gz DDUQTFIMCCTRHO-JTQLQIEISA-N -1 1 283.755 2.649 20 0 CFADMM C[C@@H]1CN(Cc2ccc(C3CCC3)cc2)C[C@H](C(=O)[O-])O1 ZINC000846290290 632684737 /nfs/dbraw/zinc/68/47/37/632684737.db2.gz IDRODWBSIUXLAN-MLGOLLRUSA-N -1 1 289.375 2.628 20 0 CFADMM CC(C)(C)c1coc(NC(=O)c2ccccc2[O-])n1 ZINC000847099410 632919933 /nfs/dbraw/zinc/91/99/33/632919933.db2.gz GBLPDIXUQAEZJH-UHFFFAOYSA-N -1 1 260.293 2.930 20 0 CFADMM COC(=O)c1ccc(C(=O)OCCc2cccc(C)c2)[n-]1 ZINC000847740624 633062940 /nfs/dbraw/zinc/06/29/40/633062940.db2.gz AHZBDFIRCMTTMB-UHFFFAOYSA-N -1 1 287.315 2.509 20 0 CFADMM CCc1nc([C@H](C)OC(=O)c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000849629253 633646292 /nfs/dbraw/zinc/64/62/92/633646292.db2.gz WMTQINADROVJMP-ZETCQYMHSA-N -1 1 295.726 2.644 20 0 CFADMM CO[C@H](COC(=O)c1c([O-])cc(F)cc1F)C1CCC1 ZINC000849718432 633687213 /nfs/dbraw/zinc/68/72/13/633687213.db2.gz RAWCZJWKMROVBK-GFCCVEGCSA-N -1 1 286.274 2.642 20 0 CFADMM Cc1nc(SCc2cccc(F)n2)[n-]c(=O)c1C ZINC000849889883 633753841 /nfs/dbraw/zinc/75/38/41/633753841.db2.gz FTLAVCJVASRBDY-UHFFFAOYSA-N -1 1 265.313 2.625 20 0 CFADMM CCCn1cc([N-]c2nc(C3CCOCC3)ns2)cn1 ZINC000853383221 634989683 /nfs/dbraw/zinc/98/96/83/634989683.db2.gz AJASAMBQJCSJFN-UHFFFAOYSA-N -1 1 293.396 2.782 20 0 CFADMM CCO[C@@H](CC)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674208 635263577 /nfs/dbraw/zinc/26/35/77/635263577.db2.gz KIKCNOYJTNLQCZ-NSHDSACASA-N -1 1 275.707 2.938 20 0 CFADMM O=C(/C=C\[C@@H]1CCOC1)Nc1cc(F)c([O-])cc1Cl ZINC000885678690 635298170 /nfs/dbraw/zinc/29/81/70/635298170.db2.gz UOMGFGOYPSELBT-SLYZXXNYSA-N -1 1 285.702 2.716 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccccc1C(C)C ZINC000854632382 635351349 /nfs/dbraw/zinc/35/13/49/635351349.db2.gz KJYBLYYAJAJPIB-UHFFFAOYSA-N -1 1 259.309 2.799 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000854634596 635352850 /nfs/dbraw/zinc/35/28/50/635352850.db2.gz FDPNQUXNVANYLZ-CHWSQXEVSA-N -1 1 285.347 2.946 20 0 CFADMM C[C@@]1(F)CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000854679684 635363706 /nfs/dbraw/zinc/36/37/06/635363706.db2.gz KZVPXAOSTCVRBI-MRXNPFEDSA-N -1 1 288.322 2.905 20 0 CFADMM CCC(F)(F)C(=O)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000855054199 635451200 /nfs/dbraw/zinc/45/12/00/635451200.db2.gz FPKZXRFFMGAVAA-JGVFFNPUSA-N -1 1 289.244 2.648 20 0 CFADMM CCOc1cc(C(=O)N[C@@H]2C=CCC2)cc(Cl)c1[O-] ZINC000855420829 635536118 /nfs/dbraw/zinc/53/61/18/635536118.db2.gz YVQHHMFMCVCRKA-SNVBAGLBSA-N -1 1 281.739 2.893 20 0 CFADMM C[C@@H]([N-]C(=O)C(F)(F)c1nccs1)c1cscn1 ZINC000855450641 635556353 /nfs/dbraw/zinc/55/63/53/635556353.db2.gz JYZZHJBUWBMZRC-ZCFIWIBFSA-N -1 1 289.332 2.569 20 0 CFADMM O=C(Nc1ccc2c(c1)[C@@H](O)CCCC2)c1cncc([O-])c1 ZINC000855547987 635576683 /nfs/dbraw/zinc/57/66/83/635576683.db2.gz ZKIZTGOTIRGDDH-INIZCTEOSA-N -1 1 298.342 2.799 20 0 CFADMM O=C(NOCC1CCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000856352047 635794359 /nfs/dbraw/zinc/79/43/59/635794359.db2.gz WCXSKPDGRVDGGX-UHFFFAOYSA-N -1 1 289.253 2.873 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)C[C@@H]1CC1(C)C ZINC000856462995 635817413 /nfs/dbraw/zinc/81/74/13/635817413.db2.gz SQFGBCDMNBBWAF-NSHDSACASA-N -1 1 291.395 2.732 20 0 CFADMM O=C(NCC[C@@H]1CC1(F)F)c1c([O-])cccc1Cl ZINC000857349404 635968175 /nfs/dbraw/zinc/96/81/75/635968175.db2.gz DKRUBNBWRNYBJE-SSDOTTSWSA-N -1 1 275.682 2.821 20 0 CFADMM CC1CC(CNC(=O)c2c([O-])cccc2Cl)C1 ZINC000857406162 635973994 /nfs/dbraw/zinc/97/39/94/635973994.db2.gz ALVXKKDUXCBZAD-UHFFFAOYSA-N -1 1 253.729 2.822 20 0 CFADMM CS[C@@H]1CCC[C@H](Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858414548 636226366 /nfs/dbraw/zinc/22/63/66/636226366.db2.gz LXHBJIBSQOXRDZ-JGVFFNPUSA-N -1 1 273.789 2.922 20 0 CFADMM O=c1nc(N2CCC3(C2)CCCCC3)cc(Cl)[n-]1 ZINC000858425865 636233699 /nfs/dbraw/zinc/23/36/99/636233699.db2.gz LYRPXLXXBSBRBM-UHFFFAOYSA-N -1 1 267.760 2.996 20 0 CFADMM O=c1nc(NCCC[C@@H]2CCCCO2)cc(Cl)[n-]1 ZINC000858483309 636266822 /nfs/dbraw/zinc/26/68/22/636266822.db2.gz HFPYAPYCOWHAFQ-VIFPVBQESA-N -1 1 271.748 2.597 20 0 CFADMM CN(c1cc(Cl)[n-]c(=O)n1)[C@H]1CCC(C)(C)C1 ZINC000858524648 636282128 /nfs/dbraw/zinc/28/21/28/636282128.db2.gz QRYXZQWQEOGLJG-QMMMGPOBSA-N -1 1 255.749 2.851 20 0 CFADMM CC(C)[C@H]1N(c2cc(Cl)[n-]c(=O)n2)CC1(C)C ZINC000858554784 636290320 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SDAZTHWBGVYJQR-UHFFFAOYSA-N -1 1 287.255 2.648 20 0 CFADMM CN(C)c1ncc(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214484922 780343910 /nfs/dbraw/zinc/34/39/10/780343910.db2.gz SHTRRTMVUOYLGO-UHFFFAOYSA-N -1 1 282.706 2.784 20 0 CFADMM COC(=O)c1cc(F)c(C)nc1-c1cc(F)ccc1[O-] ZINC001240693329 780363951 /nfs/dbraw/zinc/36/39/51/780363951.db2.gz NIQAOROUCJLYPW-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM COC(=O)c1cc(-c2cc(F)ccc2[O-])nc2[nH]ccc21 ZINC001240693876 780364690 /nfs/dbraw/zinc/36/46/90/780364690.db2.gz KMUYODBQKIYWCL-UHFFFAOYSA-N -1 1 286.262 2.861 20 0 CFADMM Nc1ccc2nnn(-c3cc(F)c([O-])c(Cl)c3)c2c1 ZINC001214489169 780365671 /nfs/dbraw/zinc/36/56/71/780365671.db2.gz VZLBUYBVHYLCBA-UHFFFAOYSA-N -1 1 278.674 2.501 20 0 CFADMM Cc1cc(-c2nccn2C)c(-c2cc(F)ccc2[O-])nn1 ZINC001240696082 780367665 /nfs/dbraw/zinc/36/76/65/780367665.db2.gz ZLXQISIVASJZLI-UHFFFAOYSA-N -1 1 284.294 2.697 20 0 CFADMM Nc1ccc2ccc(-c3cc(F)ccc3[O-])nc2n1 ZINC001240696374 780368325 /nfs/dbraw/zinc/36/83/25/780368325.db2.gz OAMRAJDMDJQTKV-UHFFFAOYSA-N -1 1 255.252 2.724 20 0 CFADMM CCOC(=O)c1cnoc1[N-]c1cc(F)cc(F)c1O ZINC001212478101 780391816 /nfs/dbraw/zinc/39/18/16/780391816.db2.gz URIJVQPXRIZESS-UHFFFAOYSA-N -1 1 284.218 2.579 20 0 CFADMM [O-]c1cccnc1-c1nc(-c2ccc(F)cc2F)no1 ZINC001212480705 780396327 /nfs/dbraw/zinc/39/63/27/780396327.db2.gz DECMPFMLLBTWSC-UHFFFAOYSA-N -1 1 275.214 2.782 20 0 CFADMM Cc1cccc(-c2noc(-c3ncccc3[O-])n2)c1F ZINC001212480932 780396494 /nfs/dbraw/zinc/39/64/94/780396494.db2.gz QILDENZDPBGNFJ-UHFFFAOYSA-N -1 1 271.251 2.952 20 0 CFADMM [O-]c1ccc(-c2ncc(F)c3nccnc32)cc1F ZINC001240783491 780436187 /nfs/dbraw/zinc/43/61/87/780436187.db2.gz UZZNXILRLXCOLR-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM CSc1nc(-c2ccc([O-])c(F)c2)ncc1F ZINC001240782406 780436557 /nfs/dbraw/zinc/43/65/57/780436557.db2.gz ZHLAKCZJWMJNDY-UHFFFAOYSA-N -1 1 254.261 2.849 20 0 CFADMM COC(=O)c1nc(-c2ccc([O-])c(F)c2)cc(C2CC2)n1 ZINC001240786489 780441540 /nfs/dbraw/zinc/44/15/40/780441540.db2.gz VNWLZMONAHTGFZ-UHFFFAOYSA-N -1 1 288.278 2.652 20 0 CFADMM O=[P@@]([O-])(O)c1ccc(-c2cccc3ncccc32)cc1 ZINC001240938923 780536600 /nfs/dbraw/zinc/53/66/00/780536600.db2.gz HXWPHARNSVVSLP-UHFFFAOYSA-N -1 1 285.239 2.705 20 0 CFADMM O=[P@]([O-])(O)c1ccc(-c2cccc3ncccc32)cc1 ZINC001240938923 780536607 /nfs/dbraw/zinc/53/66/07/780536607.db2.gz HXWPHARNSVVSLP-UHFFFAOYSA-N -1 1 285.239 2.705 20 0 CFADMM COc1cc2[nH]cnc2cc1-c1ccc(CC(=O)[O-])cc1 ZINC001240975347 780564200 /nfs/dbraw/zinc/56/42/00/780564200.db2.gz JQWKPYBSBDSYSG-UHFFFAOYSA-N -1 1 282.299 2.866 20 0 CFADMM COC(=O)c1cnc(-c2c(F)cc([O-])cc2F)cc1C ZINC001241116666 780645403 /nfs/dbraw/zinc/64/54/03/780645403.db2.gz FOMMMMQPWITKIK-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM CCOc1cncc(-c2c(F)cc([O-])cc2F)n1 ZINC001241117422 780646488 /nfs/dbraw/zinc/64/64/88/780646488.db2.gz NXWSGFIZIUURSF-UHFFFAOYSA-N -1 1 252.220 2.526 20 0 CFADMM Cn1cnc2ccc(-c3c(F)cc([O-])cc3F)nc21 ZINC001241118662 780647525 /nfs/dbraw/zinc/64/75/25/780647525.db2.gz UELVZVYJQLTWNT-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM COc1ccc(-c2c(F)cc([O-])cc2F)nc1F ZINC001241120770 780649438 /nfs/dbraw/zinc/64/94/38/780649438.db2.gz KJJMWBPUSIRSPJ-UHFFFAOYSA-N -1 1 255.195 2.880 20 0 CFADMM COC(=O)c1cncc(-c2c(F)cc([O-])cc2F)c1 ZINC001241121737 780650660 /nfs/dbraw/zinc/65/06/60/780650660.db2.gz DZUDQDVKNGVCIK-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM CC(=O)Nc1cc(-c2c(F)cc([O-])cc2F)ccn1 ZINC001241122464 780650886 /nfs/dbraw/zinc/65/08/86/780650886.db2.gz FGZJMZNJFIDMBZ-UHFFFAOYSA-N -1 1 264.231 2.691 20 0 CFADMM CON(C)C(=O)c1cccc(-c2c(F)cc([O-])cc2F)c1 ZINC001241122451 780651151 /nfs/dbraw/zinc/65/11/51/780651151.db2.gz DNAGAIUTKRJJTL-UHFFFAOYSA-N -1 1 293.269 2.971 20 0 CFADMM NC(=O)Nc1ccccc1-c1c(F)cc([O-])cc1F ZINC001241122735 780652307 /nfs/dbraw/zinc/65/23/07/780652307.db2.gz XROANJKIMNOPQO-UHFFFAOYSA-N -1 1 264.231 2.828 20 0 CFADMM O=C1CCCN1c1ccc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241122758 780652331 /nfs/dbraw/zinc/65/23/31/780652331.db2.gz LARMYJUOIASCJK-UHFFFAOYSA-N -1 1 290.269 2.859 20 0 CFADMM O=C([O-])c1cc(-c2cccc3cncn32)ccc1F ZINC001241245410 780729572 /nfs/dbraw/zinc/72/95/72/780729572.db2.gz BUMIIDNPAMJGOO-UHFFFAOYSA-N -1 1 256.236 2.839 20 0 CFADMM Cc1cnc(-c2cc([O-])cc(F)c2)nc1N1CCCC1 ZINC001241257687 780738840 /nfs/dbraw/zinc/73/88/40/780738840.db2.gz ORDWFKCITFGLED-UHFFFAOYSA-N -1 1 273.311 2.897 20 0 CFADMM Cc1cnc(-c2cc([O-])cc(F)c2)nc1NC1CC1 ZINC001241258277 780739802 /nfs/dbraw/zinc/73/98/02/780739802.db2.gz XQAJLHJPCHBWHR-UHFFFAOYSA-N -1 1 259.284 2.871 20 0 CFADMM CC[C@H]1CO[C@@H](C)CN1Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701820782 780840714 /nfs/dbraw/zinc/84/07/14/780840714.db2.gz QAQGXNXVGYSYHX-JSGCOSHPSA-N -1 1 277.364 2.693 20 0 CFADMM COC(=O)c1c[n-]c(=O)nc1OC(CC(C)C)CC(C)C ZINC001229872300 780859329 /nfs/dbraw/zinc/85/93/29/780859329.db2.gz IABMOTWKFNDRGZ-UHFFFAOYSA-N -1 1 296.367 2.808 20 0 CFADMM COc1cc(Cl)ccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001241897369 781170564 /nfs/dbraw/zinc/17/05/64/781170564.db2.gz PAFWKQDAKLIGQI-UHFFFAOYSA-N -1 1 287.710 2.591 20 0 CFADMM COc1cc(Cl)ccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001241897369 781170567 /nfs/dbraw/zinc/17/05/67/781170567.db2.gz PAFWKQDAKLIGQI-UHFFFAOYSA-N -1 1 287.710 2.591 20 0 CFADMM C[C@]1(C(F)(F)F)CCN(Cc2cccc(C(=O)[O-])n2)C1 ZINC000708922954 781284604 /nfs/dbraw/zinc/28/46/04/781284604.db2.gz BEXRUPGPCGQXOX-LBPRGKRZSA-N -1 1 288.269 2.554 20 0 CFADMM COc1cncnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242131078 781294181 /nfs/dbraw/zinc/29/41/81/781294181.db2.gz AINCPZFOQKKDIE-UHFFFAOYSA-N -1 1 270.210 2.877 20 0 CFADMM Cn1cnc2c1ncnc2-c1cc(C(F)(F)F)ccc1[O-] ZINC001242126766 781294627 /nfs/dbraw/zinc/29/46/27/781294627.db2.gz QUKNDAULWYJEBL-UHFFFAOYSA-N -1 1 294.236 2.755 20 0 CFADMM CN(C)c1cc(-c2ccc([O-])c(C(F)(F)F)c2)ncn1 ZINC001242147596 781300830 /nfs/dbraw/zinc/30/08/30/781300830.db2.gz BEXHKJIJHRLICG-UHFFFAOYSA-N -1 1 283.253 2.934 20 0 CFADMM Cc1c(F)cc(C(=O)[O-])cc1-c1ccc2[nH]nnc2c1 ZINC001242208738 781327326 /nfs/dbraw/zinc/32/73/26/781327326.db2.gz GPALOJPMVWDILD-UHFFFAOYSA-N -1 1 271.251 2.771 20 0 CFADMM Cc1c(F)cc(C(=O)[O-])cc1-c1ccc2nn[nH]c2c1 ZINC001242208738 781327332 /nfs/dbraw/zinc/32/73/32/781327332.db2.gz GPALOJPMVWDILD-UHFFFAOYSA-N -1 1 271.251 2.771 20 0 CFADMM COC(=O)c1c(OC)cccc1-c1ccc(F)cc1[O-] ZINC001242218584 781333222 /nfs/dbraw/zinc/33/32/22/781333222.db2.gz GCWCJJVLOGPIOT-UHFFFAOYSA-N -1 1 276.263 2.994 20 0 CFADMM O=c1c(-c2ccc(F)cc2[O-])cccn1-c1ccccn1 ZINC001242219844 781335496 /nfs/dbraw/zinc/33/54/96/781335496.db2.gz TYPOSFPPPCBYNK-UHFFFAOYSA-N -1 1 282.274 2.744 20 0 CFADMM Cc1cc2c(c(-c3ccccc3OC(C)C)n1)C(=O)[N-]C2=O ZINC001242222496 781336244 /nfs/dbraw/zinc/33/62/44/781336244.db2.gz VPUYRUXZZWWPGI-UHFFFAOYSA-N -1 1 296.326 2.728 20 0 CFADMM Cc1cc2c(c(-c3cc(F)c(C)c(F)c3)n1)C(=O)[N-]C2=O ZINC001242288019 781370449 /nfs/dbraw/zinc/37/04/49/781370449.db2.gz WRZNNKLTPKZVHF-UHFFFAOYSA-N -1 1 288.253 2.527 20 0 CFADMM CC1(C)CC=C(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001242329461 781402675 /nfs/dbraw/zinc/40/26/75/781402675.db2.gz TZPJCESAPZIYGG-UHFFFAOYSA-N -1 1 255.325 2.855 20 0 CFADMM CC1(C)CC=C(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001242329461 781402681 /nfs/dbraw/zinc/40/26/81/781402681.db2.gz TZPJCESAPZIYGG-UHFFFAOYSA-N -1 1 255.325 2.855 20 0 CFADMM CCN(C)c1nc(-c2cccc(C)c2[O-])ncc1C ZINC001242342881 781415388 /nfs/dbraw/zinc/41/53/88/781415388.db2.gz JWURNPUXXCYVSQ-UHFFFAOYSA-N -1 1 257.337 2.922 20 0 CFADMM [O-]c1c(F)cccc1-c1cnc(OCc2ccncc2)nc1 ZINC001242352460 781424721 /nfs/dbraw/zinc/42/47/21/781424721.db2.gz JDTBPYJCLHMWFW-UHFFFAOYSA-N -1 1 297.289 2.962 20 0 CFADMM COC(=O)c1c(OC)cccc1-c1cccc(F)c1[O-] ZINC001242352537 781426293 /nfs/dbraw/zinc/42/62/93/781426293.db2.gz XTPOFOGPYRAYLD-UHFFFAOYSA-N -1 1 276.263 2.994 20 0 CFADMM O=c1ccc(-c2cccc(F)c2[O-])nn1-c1ccccc1 ZINC001242353260 781426374 /nfs/dbraw/zinc/42/63/74/781426374.db2.gz XRZOHXIMZCHDDE-UHFFFAOYSA-N -1 1 282.274 2.744 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H](CF)C1 ZINC000711472778 781437547 /nfs/dbraw/zinc/43/75/47/781437547.db2.gz WJQGXVWMWAOAQG-LLVKDONJSA-N -1 1 273.307 2.977 20 0 CFADMM NC(=O)Cc1ccccc1-c1cccc(Cl)c1[O-] ZINC001242366186 781438801 /nfs/dbraw/zinc/43/88/01/781438801.db2.gz RHUMKVGWWYOXOR-UHFFFAOYSA-N -1 1 261.708 2.740 20 0 CFADMM CN(C)C(=O)c1cc(-c2cccc(Cl)c2[O-])cnc1F ZINC001242368141 781440619 /nfs/dbraw/zinc/44/06/19/781440619.db2.gz YTGVQLLSHPSUBN-UHFFFAOYSA-N -1 1 294.713 2.949 20 0 CFADMM O=C([O-])c1cccc(-c2nccc3c2CCN3)c1F ZINC001242377810 781447199 /nfs/dbraw/zinc/44/71/99/781447199.db2.gz IBBRYNJIODMOCN-UHFFFAOYSA-N -1 1 258.252 2.554 20 0 CFADMM O=C([O-])c1cccc(-c2ccc3cncn3c2)c1F ZINC001242380218 781449326 /nfs/dbraw/zinc/44/93/26/781449326.db2.gz FHBMHBCLFVOENT-UHFFFAOYSA-N -1 1 256.236 2.839 20 0 CFADMM COCc1nccnc1-c1cccc([O-])c1Cl ZINC001242796848 781763149 /nfs/dbraw/zinc/76/31/49/781763149.db2.gz BKOWMLSGAPKAAB-UHFFFAOYSA-N -1 1 250.685 2.649 20 0 CFADMM COCc1cc(-c2cccc([O-])c2Cl)nc(C)n1 ZINC001242797014 781764535 /nfs/dbraw/zinc/76/45/35/781764535.db2.gz FJFWCZAKFGNWBT-UHFFFAOYSA-N -1 1 264.712 2.957 20 0 CFADMM COc1cc(-c2cccc([O-])c2Cl)nc(C)n1 ZINC001242798710 781764625 /nfs/dbraw/zinc/76/46/25/781764625.db2.gz WLAZQCCXJYCKLC-UHFFFAOYSA-N -1 1 250.685 2.820 20 0 CFADMM COC(=O)c1cc(OC)cc(-c2cccc([O-])c2Cl)n1 ZINC001242798183 781764701 /nfs/dbraw/zinc/76/47/01/781764701.db2.gz IRBAYOKOTGRKPQ-UHFFFAOYSA-N -1 1 293.706 2.903 20 0 CFADMM Cn1nnc2cc(-c3cccc([O-])c3Cl)ccc21 ZINC001242800535 781765017 /nfs/dbraw/zinc/76/50/17/781765017.db2.gz JZMHGIBAVWZEHH-UHFFFAOYSA-N -1 1 259.696 2.994 20 0 CFADMM O=C1NCCc2ccc(-c3cccc([O-])c3Cl)cc21 ZINC001242799381 781765726 /nfs/dbraw/zinc/76/57/26/781765726.db2.gz IEMGIZVTRKZROW-UHFFFAOYSA-N -1 1 273.719 2.999 20 0 CFADMM [O-]c1cccc(-c2cccc(-c3nn[nH]n3)c2)c1Cl ZINC001242802659 781766889 /nfs/dbraw/zinc/76/68/89/781766889.db2.gz NSRZDXNACFOJTA-UHFFFAOYSA-N -1 1 272.695 2.893 20 0 CFADMM O=c1occ2[nH]cc(-c3cccc([O-])c3Cl)cc1-2 ZINC001242802641 781766955 /nfs/dbraw/zinc/76/69/55/781766955.db2.gz DKEUFVXECJDHTB-UHFFFAOYSA-N -1 1 261.664 2.778 20 0 CFADMM Cc1cc(N(C)C)nc(-c2cccc([O-])c2Cl)n1 ZINC001242801730 781767337 /nfs/dbraw/zinc/76/73/37/781767337.db2.gz WOVJXQRXIMXMFL-UHFFFAOYSA-N -1 1 263.728 2.877 20 0 CFADMM O=C(NC1CC1)c1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242801886 781767933 /nfs/dbraw/zinc/76/79/33/781767933.db2.gz ZXMWCTDMGUYMBX-UHFFFAOYSA-N -1 1 288.734 3.000 20 0 CFADMM O=C1Cc2cc(-c3cccc(OC4CC4)c3)ccc2C(=O)[N-]1 ZINC001242805624 781769977 /nfs/dbraw/zinc/76/99/77/781769977.db2.gz OBZSDOHTFLWCIX-UHFFFAOYSA-N -1 1 293.322 2.707 20 0 CFADMM CSc1ccccc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001242944919 781862151 /nfs/dbraw/zinc/86/21/51/781862151.db2.gz YPZBGVNBPYMVFJ-UHFFFAOYSA-N -1 1 280.285 2.879 20 0 CFADMM CSc1ccccc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001242944919 781862159 /nfs/dbraw/zinc/86/21/59/781862159.db2.gz YPZBGVNBPYMVFJ-UHFFFAOYSA-N -1 1 280.285 2.879 20 0 CFADMM COC[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(C)o1 ZINC000127765398 187331510 /nfs/dbraw/zinc/33/15/10/187331510.db2.gz ANPSROAZWDZTKT-LLVKDONJSA-N -1 1 293.294 2.550 20 0 CFADMM CCCCC(=O)N1CCC(c2n[n-]c(=S)n2CC)CC1 ZINC000068452226 346853387 /nfs/dbraw/zinc/85/33/87/346853387.db2.gz UKMSDWOXMKQPEB-UHFFFAOYSA-N -1 1 296.440 2.857 20 0 CFADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000156859012 529408428 /nfs/dbraw/zinc/40/84/28/529408428.db2.gz JIJSGAPYUGMOTC-OTYXRUKQSA-N -1 1 285.771 2.573 20 0 CFADMM CC[C@H](C)CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000421925342 529666678 /nfs/dbraw/zinc/66/66/78/529666678.db2.gz XMWYLHRADOEPOO-QMMMGPOBSA-N -1 1 271.744 2.830 20 0 CFADMM CCOc1cc(C(=O)N(C)C(C)C)cc(Cl)c1[O-] ZINC000273923097 192364611 /nfs/dbraw/zinc/36/46/11/192364611.db2.gz GHELMPHOALQKDS-UHFFFAOYSA-N -1 1 271.744 2.925 20 0 CFADMM CCCc1nnc([N-]C(=O)c2cc(C3CC3)on2)s1 ZINC000073543209 346979528 /nfs/dbraw/zinc/97/95/28/346979528.db2.gz JAOYVYOJKXWBAA-UHFFFAOYSA-N -1 1 278.337 2.608 20 0 CFADMM COc1cccc2c1CN(Cc1ccc(C(=O)[O-])cc1)CC2 ZINC000666577207 539406444 /nfs/dbraw/zinc/40/64/44/539406444.db2.gz JUOGOGAVFHMNIZ-UHFFFAOYSA-N -1 1 297.354 2.952 20 0 CFADMM CCOCCN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000127388515 187301299 /nfs/dbraw/zinc/30/12/99/187301299.db2.gz VTUTZLVJPVUKPG-UHFFFAOYSA-N -1 1 273.332 2.654 20 0 CFADMM O=C(Nc1nc(C(F)(F)F)cs1)c1cncc([O-])c1 ZINC000111564144 232192915 /nfs/dbraw/zinc/19/29/15/232192915.db2.gz HXIHUXGEGOIKFM-UHFFFAOYSA-N -1 1 289.238 2.515 20 0 CFADMM O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1[O-] ZINC000156240212 232233221 /nfs/dbraw/zinc/23/32/21/232233221.db2.gz XLCARROOLFWLSO-CQSZACIVSA-N -1 1 299.326 2.812 20 0 CFADMM C[C@@H](CNc1ccccc1)NC(=O)c1c([O-])cccc1F ZINC000164787474 232259883 /nfs/dbraw/zinc/25/98/83/232259883.db2.gz YBYKDKNCOMAOQZ-NSHDSACASA-N -1 1 288.322 2.762 20 0 CFADMM O=C(NCCc1ccc(F)cc1)c1c([O-])cccc1F ZINC000163605761 232258268 /nfs/dbraw/zinc/25/82/68/232258268.db2.gz IAZMDXJAVIUXPQ-UHFFFAOYSA-N -1 1 277.270 2.643 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCOc2ccccc2C1 ZINC000124053016 539520384 /nfs/dbraw/zinc/52/03/84/539520384.db2.gz GALIIXCZCZQCMI-UHFFFAOYSA-N -1 1 287.290 2.566 20 0 CFADMM CCc1nc(SCC(=O)c2ccccc2)[n-]c(=O)c1C ZINC000004861232 346210255 /nfs/dbraw/zinc/21/02/55/346210255.db2.gz UMKAXZDVFFGGEY-UHFFFAOYSA-N -1 1 288.372 2.616 20 0 CFADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(F)ccc1[O-] ZINC000127564016 187316381 /nfs/dbraw/zinc/31/63/81/187316381.db2.gz MUCITVSFEQEBKG-KOLCDFICSA-N -1 1 251.301 2.934 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2nc(C(C)C)no2)n1 ZINC000029137939 346279042 /nfs/dbraw/zinc/27/90/42/346279042.db2.gz ADUUDZNNYQSUFI-UHFFFAOYSA-N -1 1 294.380 2.933 20 0 CFADMM CCc1cc(=O)[n-]c(SCC(=O)c2ccc(C)cc2)n1 ZINC000041626613 346354292 /nfs/dbraw/zinc/35/42/92/346354292.db2.gz OTYHSVOHSKGDET-UHFFFAOYSA-N -1 1 288.372 2.616 20 0 CFADMM Cc1noc([N-]C(=O)c2nc(-c3ccccc3)oc2C)n1 ZINC000042702568 346369902 /nfs/dbraw/zinc/36/99/02/346369902.db2.gz ZVXNDWCVYHDVFY-UHFFFAOYSA-N -1 1 284.275 2.594 20 0 CFADMM Cc1ccc(CN[C@](C)(CCC(C)C)C(=O)[O-])o1 ZINC000053043446 346536605 /nfs/dbraw/zinc/53/66/05/346536605.db2.gz ICQSLKAOGYPIQF-CQSZACIVSA-N -1 1 253.342 2.957 20 0 CFADMM CC1CCC([N-]S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000060356999 346663133 /nfs/dbraw/zinc/66/31/33/346663133.db2.gz PKGIFKPPUSMAIR-UHFFFAOYSA-N -1 1 289.347 2.822 20 0 CFADMM Cc1noc(C)c1[N-]C(=O)c1ccc(Br)o1 ZINC000063447617 346700885 /nfs/dbraw/zinc/70/08/85/346700885.db2.gz HOWGUWBDTWEXFK-UHFFFAOYSA-N -1 1 285.097 2.899 20 0 CFADMM COCc1nc(=NC[C@@H]2CCC[C@@H](C)[C@@H]2C)s[n-]1 ZINC000360265986 293327081 /nfs/dbraw/zinc/32/70/81/293327081.db2.gz JSBBSOXKDDMKHK-VWYCJHECSA-N -1 1 269.414 2.591 20 0 CFADMM O=C(Nc1nnc(C2CC2)s1)c1cc(F)ccc1[O-] ZINC000081935617 347439633 /nfs/dbraw/zinc/43/96/33/347439633.db2.gz ASWXDPKYHCHRRW-UHFFFAOYSA-N -1 1 279.296 2.513 20 0 CFADMM C[C@]1(CO)CCC[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000092602317 347633300 /nfs/dbraw/zinc/63/33/00/347633300.db2.gz IBLIKRKSTUVWRJ-SJLPKXTDSA-N -1 1 299.370 2.826 20 0 CFADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1csc(C(C)(C)C)n1 ZINC000092939524 347652534 /nfs/dbraw/zinc/65/25/34/347652534.db2.gz MFQYHKCLORZJDA-ONGXEEELSA-N -1 1 282.409 2.736 20 0 CFADMM CCN(CCC(=O)[O-])Cc1nc(C(C)(C)C)cs1 ZINC000094969289 347697591 /nfs/dbraw/zinc/69/75/91/347697591.db2.gz FAXHMJGFAJUODR-UHFFFAOYSA-N -1 1 270.398 2.737 20 0 CFADMM c1ccc2c(c1)cccc2CSCc1nn[n-]n1 ZINC000095170077 347697595 /nfs/dbraw/zinc/69/75/95/347697595.db2.gz LXISXJCVYWVINC-UHFFFAOYSA-N -1 1 256.334 2.786 20 0 CFADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1nc(C(C)(C)C)cs1 ZINC000094969643 347697660 /nfs/dbraw/zinc/69/76/60/347697660.db2.gz OIVSEWSCQBVTJB-ZJUUUORDSA-N -1 1 282.409 2.736 20 0 CFADMM Cc1cccc2c1CCN2C(=O)c1ccccc1[O-] ZINC000125798828 347829679 /nfs/dbraw/zinc/82/96/79/347829679.db2.gz XMZQLKLKYVFEOW-UHFFFAOYSA-N -1 1 253.301 2.904 20 0 CFADMM O=c1cc(C(F)(F)F)nc(SCc2ccncc2)[n-]1 ZINC000127028675 347838557 /nfs/dbraw/zinc/83/85/57/347838557.db2.gz YXGHTYIIPLDGOT-UHFFFAOYSA-N -1 1 287.266 2.888 20 0 CFADMM CCc1nnc([N-]C(=O)c2c(F)cc(F)cc2F)s1 ZINC000129329388 347860156 /nfs/dbraw/zinc/86/01/56/347860156.db2.gz MDYWMPIITHZBIR-UHFFFAOYSA-N -1 1 287.266 2.770 20 0 CFADMM Cc1cc(CN2CCS[C@H](C)[C@@H]2C)oc1C(=O)[O-] ZINC000133096572 347889033 /nfs/dbraw/zinc/88/90/33/347889033.db2.gz WHKMBFPAZLRAGD-VHSXEESVSA-N -1 1 269.366 2.612 20 0 CFADMM CC[C@H]1CN(Cc2cc(C)c(C(=O)[O-])o2)CCS1 ZINC000157712362 348001811 /nfs/dbraw/zinc/00/18/11/348001811.db2.gz AWDMOBFFBCTIHY-NSHDSACASA-N -1 1 269.366 2.614 20 0 CFADMM C[C@H](CN(C)[C@@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000086807813 179339839 /nfs/dbraw/zinc/33/98/39/179339839.db2.gz TWLVKPPPLSPKDO-BDAKNGLRSA-N -1 1 257.280 2.678 20 0 CFADMM CC[C@H](CSC)[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000167735097 348045696 /nfs/dbraw/zinc/04/56/96/348045696.db2.gz AXHXKPTVCZJJRC-SECBINFHSA-N -1 1 257.355 2.551 20 0 CFADMM COc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000224499979 348175920 /nfs/dbraw/zinc/17/59/20/348175920.db2.gz LHRPIMUUIKFZNY-UHFFFAOYSA-N -1 1 269.347 2.558 20 0 CFADMM C[N@H+](Cc1ccc(C(=O)[O-])c(F)c1)C[C@H]1CCCCO1 ZINC000234306063 348220643 /nfs/dbraw/zinc/22/06/43/348220643.db2.gz GZJAJIPVNOLDBL-GFCCVEGCSA-N -1 1 281.327 2.525 20 0 CFADMM C[C@H](c1ccc2ccccc2c1)[N@H+]1CCO[C@@H](C(=O)[O-])C1 ZINC000226452344 348183441 /nfs/dbraw/zinc/18/34/41/348183441.db2.gz OONZMMNYNDKUPL-MLGOLLRUSA-N -1 1 285.343 2.686 20 0 CFADMM C[C@H](c1ccc2ccccc2c1)N1CCO[C@@H](C(=O)[O-])C1 ZINC000226452344 348183448 /nfs/dbraw/zinc/18/34/48/348183448.db2.gz OONZMMNYNDKUPL-MLGOLLRUSA-N -1 1 285.343 2.686 20 0 CFADMM C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCO[C@@H](C(=O)[O-])C1 ZINC000226452337 348183697 /nfs/dbraw/zinc/18/36/97/348183697.db2.gz OONZMMNYNDKUPL-BLLLJJGKSA-N -1 1 285.343 2.686 20 0 CFADMM C[C@@H](c1ccc2ccccc2c1)N1CCO[C@@H](C(=O)[O-])C1 ZINC000226452337 348183698 /nfs/dbraw/zinc/18/36/98/348183698.db2.gz OONZMMNYNDKUPL-BLLLJJGKSA-N -1 1 285.343 2.686 20 0 CFADMM O=C(NCC(C1CC1)C1CC1)c1c([O-])cccc1F ZINC000228856414 348198195 /nfs/dbraw/zinc/19/81/95/348198195.db2.gz HYCYVQCJDKWEGY-UHFFFAOYSA-N -1 1 263.312 2.697 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)Cc3ccco3)[nH][n-]2)s1 ZINC000428038239 539681372 /nfs/dbraw/zinc/68/13/72/539681372.db2.gz MWWSOFBKKZDJGT-UHFFFAOYSA-N -1 1 287.344 2.643 20 0 CFADMM CCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000074936784 539685374 /nfs/dbraw/zinc/68/53/74/539685374.db2.gz ZCFRVSSKRABNPK-UHFFFAOYSA-N -1 1 279.764 2.948 20 0 CFADMM O=C([N-]c1cnoc1)c1sccc1OC(F)F ZINC000591170232 348996490 /nfs/dbraw/zinc/99/64/90/348996490.db2.gz CGDWFEJMWGXFJA-UHFFFAOYSA-N -1 1 260.221 2.590 20 0 CFADMM COC1([C@H](C)NC(=O)c2cc(Cl)ccc2[O-])CCC1 ZINC000413971356 233144575 /nfs/dbraw/zinc/14/45/75/233144575.db2.gz IBEIBQBIRUKWHT-VIFPVBQESA-N -1 1 283.755 2.733 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)C[C@H]2CCCC[C@H]2C)[n-]1 ZINC000591303326 349007229 /nfs/dbraw/zinc/00/72/29/349007229.db2.gz UGENRTCLJQTNSD-GHMZBOCLSA-N -1 1 293.367 2.741 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)C[C@H]2CCCC[C@H]2C)n1 ZINC000591303326 349007231 /nfs/dbraw/zinc/00/72/31/349007231.db2.gz UGENRTCLJQTNSD-GHMZBOCLSA-N -1 1 293.367 2.741 20 0 CFADMM Cc1cnc(C(=O)N2C[C@H](C)CC(C)(C)C2)c([O-])c1 ZINC000427914922 539710392 /nfs/dbraw/zinc/71/03/92/539710392.db2.gz OSNAUWIDDXKRFQ-LLVKDONJSA-N -1 1 262.353 2.604 20 0 CFADMM COC(=O)c1sc(NC(=O)c2ccccc2[O-])cc1C ZINC000592537947 349137675 /nfs/dbraw/zinc/13/76/75/349137675.db2.gz NGVWCLDCNZSWRS-UHFFFAOYSA-N -1 1 291.328 2.801 20 0 CFADMM Cc1cc(F)cc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)c1 ZINC000295154174 199375861 /nfs/dbraw/zinc/37/58/61/199375861.db2.gz CEXDEHJTGUANKE-UHFFFAOYSA-N -1 1 299.289 2.753 20 0 CFADMM CCSCc1ccccc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000597694138 350125242 /nfs/dbraw/zinc/12/52/42/350125242.db2.gz SFZVHTQGYZRBNH-UHFFFAOYSA-N -1 1 291.376 2.929 20 0 CFADMM O=S(=O)([N-][C@H]1CCC[C@H](F)C1)c1cc(F)ccc1F ZINC000564907444 290247613 /nfs/dbraw/zinc/24/76/13/290247613.db2.gz FHVCFLPARXUTKJ-WPRPVWTQSA-N -1 1 293.310 2.524 20 0 CFADMM O=C(NC[C@@H]1Cc2ccccc21)c1c([O-])cccc1F ZINC000132083856 539771774 /nfs/dbraw/zinc/77/17/74/539771774.db2.gz KECHBZNSXZJVRF-NSHDSACASA-N -1 1 271.291 2.601 20 0 CFADMM CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1[O-] ZINC000271361882 191096391 /nfs/dbraw/zinc/09/63/91/191096391.db2.gz IFXMGBYDFJFMLM-UHFFFAOYSA-N -1 1 261.243 2.647 20 0 CFADMM Cc1noc(C)c1CCNC(=O)c1cc(Cl)ccc1[O-] ZINC000107175853 186161894 /nfs/dbraw/zinc/16/18/94/186161894.db2.gz NCBULZSGECTDJH-UHFFFAOYSA-N -1 1 294.738 2.623 20 0 CFADMM CC1(C)C[C@H](SCCC(=O)c2ccc([O-])cc2O)CO1 ZINC000600569817 350572482 /nfs/dbraw/zinc/57/24/82/350572482.db2.gz HUKPZCFXYOIQNR-NSHDSACASA-N -1 1 296.388 2.971 20 0 CFADMM Cc1ccc(S([O-])=CC(=O)c2ccc[nH]2)cc1C ZINC000107960287 186200758 /nfs/dbraw/zinc/20/07/58/186200758.db2.gz SUAJRQIXJBXTLN-SFHVURJKSA-N -1 1 261.346 2.622 20 0 CFADMM Cc1ccc([S@](=O)C=C([O-])c2ccc[nH]2)cc1C ZINC000107960287 186200759 /nfs/dbraw/zinc/20/07/59/186200759.db2.gz SUAJRQIXJBXTLN-SFHVURJKSA-N -1 1 261.346 2.622 20 0 CFADMM COC(=O)[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(C)(C)C ZINC000600535153 350566414 /nfs/dbraw/zinc/56/64/14/350566414.db2.gz WLGWMVGBENTLFP-LLVKDONJSA-N -1 1 296.392 2.739 20 0 CFADMM CSC[C@@H](C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000600673721 350595038 /nfs/dbraw/zinc/59/50/38/350595038.db2.gz HFLUJZPWOCYDEB-SNVBAGLBSA-N -1 1 291.376 2.516 20 0 CFADMM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccncc1[O-] ZINC000109890202 186278265 /nfs/dbraw/zinc/27/82/65/186278265.db2.gz MNAOJLYBPGQZFS-VIFPVBQESA-N -1 1 292.722 2.847 20 0 CFADMM COC(=O)c1cccc(-n2[n-]c3c(c2=O)[C@H](C)CC3)c1C ZINC000601951497 350818171 /nfs/dbraw/zinc/81/81/71/350818171.db2.gz ZBWOMTZWUZTXFS-OTYXRUKQSA-N -1 1 286.331 2.530 20 0 CFADMM CSCCCCNC(=O)N=c1[n-]sc2ccccc21 ZINC000603052280 351095818 /nfs/dbraw/zinc/09/58/18/351095818.db2.gz QHXLRBMNUDMXOK-UHFFFAOYSA-N -1 1 295.433 2.983 20 0 CFADMM COc1ccc(CC(=O)Nc2c([O-])cccc2F)cc1 ZINC000605434918 351245976 /nfs/dbraw/zinc/24/59/76/351245976.db2.gz DJOKFJYNOLCQOL-UHFFFAOYSA-N -1 1 275.279 2.721 20 0 CFADMM CC(C)COCCC(=O)Nc1c([O-])cccc1F ZINC000605434851 351246131 /nfs/dbraw/zinc/24/61/31/351246131.db2.gz CRNBIOPJNGXNJZ-UHFFFAOYSA-N -1 1 255.289 2.533 20 0 CFADMM COCc1cccc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000605440156 351246851 /nfs/dbraw/zinc/24/68/51/351246851.db2.gz LQINUIKRYCJQRH-UHFFFAOYSA-N -1 1 275.279 2.930 20 0 CFADMM C[C@@H](N(C)C(=O)c1cc(F)ccc1[O-])C1(C)CC1 ZINC000271432121 191134120 /nfs/dbraw/zinc/13/41/20/191134120.db2.gz TYTWHFROUBZQPM-SECBINFHSA-N -1 1 251.301 2.792 20 0 CFADMM Cc1nc(-c2ccc(NC[C@@H](C)C3CC3)nc2)[n-]c(=O)c1C ZINC000608080862 351396427 /nfs/dbraw/zinc/39/64/27/351396427.db2.gz HBCPIYUQELPKCQ-SNVBAGLBSA-N -1 1 298.390 2.741 20 0 CFADMM CCc1nc(CC(=O)Nc2c([O-])cccc2F)cs1 ZINC000608367441 351426830 /nfs/dbraw/zinc/42/68/30/351426830.db2.gz ZDXFPDADDOFJPL-UHFFFAOYSA-N -1 1 280.324 2.731 20 0 CFADMM COC(=O)c1cccc(-c2nc3cccc(F)c3c(=O)[n-]2)c1 ZINC000610288941 351552219 /nfs/dbraw/zinc/55/22/19/351552219.db2.gz UIQJTFLUWHNKRG-UHFFFAOYSA-N -1 1 298.273 2.928 20 0 CFADMM C[C@H]1C[C@H](CNC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000271436894 191137562 /nfs/dbraw/zinc/13/75/62/191137562.db2.gz GOYBYLHRKWABNG-VHSXEESVSA-N -1 1 283.755 2.591 20 0 CFADMM C[C@H](C(=O)[N-]OC/C=C/Cl)c1cccc(F)c1 ZINC000291429412 198018792 /nfs/dbraw/zinc/01/87/92/198018792.db2.gz AEEGCTUHMJQWJE-SWTNXBIASA-N -1 1 257.692 2.730 20 0 CFADMM C[S@@](=O)c1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000610861031 351616426 /nfs/dbraw/zinc/61/64/26/351616426.db2.gz IQCIXXFOSQSVQJ-HXUWFJFHSA-N -1 1 293.319 2.521 20 0 CFADMM C[C@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])[C@H]1C ZINC000611936622 351752691 /nfs/dbraw/zinc/75/26/91/351752691.db2.gz MAADIHHZIQFTDE-QWRGUYRKSA-N -1 1 270.332 2.811 20 0 CFADMM CCOC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCC1 ZINC000612759862 351859523 /nfs/dbraw/zinc/85/95/23/351859523.db2.gz OEBHTAUVGBLYDM-UHFFFAOYSA-N -1 1 269.728 2.943 20 0 CFADMM CCc1ccccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000123384442 187088132 /nfs/dbraw/zinc/08/81/32/187088132.db2.gz PPKMADUUZAXCRQ-UHFFFAOYSA-N -1 1 284.241 2.638 20 0 CFADMM C[S@](=O)c1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000613807350 352011062 /nfs/dbraw/zinc/01/10/62/352011062.db2.gz UKUIGCFQVFBURH-FQEVSTJZSA-N -1 1 293.319 2.521 20 0 CFADMM O=C(c1ncc2ccccc2c1[O-])N1CC2(C1)CCCC2 ZINC000613676375 351996481 /nfs/dbraw/zinc/99/64/81/351996481.db2.gz DWLBEJQAXRCVNO-UHFFFAOYSA-N -1 1 282.343 2.957 20 0 CFADMM O=C(CCCC1CC1)Nc1n[nH]c2cc(O)ccc21 ZINC000615133953 352157991 /nfs/dbraw/zinc/15/79/91/352157991.db2.gz QXWASWKYIHMNEF-UHFFFAOYSA-N -1 1 259.309 2.787 20 0 CFADMM O=C(NCC1CC(F)(F)C1)c1ncc2ccccc2c1[O-] ZINC000615167400 352162755 /nfs/dbraw/zinc/16/27/55/352162755.db2.gz YJVVXZMATFPBOV-UHFFFAOYSA-N -1 1 292.285 2.716 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@]1(C)CCc2ccccc2C1 ZINC000615226299 352169479 /nfs/dbraw/zinc/16/94/79/352169479.db2.gz JRRVKBAKZRPOTN-MRXNPFEDSA-N -1 1 285.347 2.557 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC000615226768 352169682 /nfs/dbraw/zinc/16/96/82/352169682.db2.gz CMRZJIPCFOCCSV-RTHLEPHNSA-N -1 1 265.357 2.825 20 0 CFADMM CC[C@H](C)Oc1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC000615227994 352170367 /nfs/dbraw/zinc/17/03/67/352170367.db2.gz URIGXVDJXJPJCI-VIFPVBQESA-N -1 1 289.335 2.853 20 0 CFADMM CC[C@@H](Cc1ccccc1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000615228094 352170973 /nfs/dbraw/zinc/17/09/73/352170973.db2.gz VSSJOLAYEKXUQM-LBPRGKRZSA-N -1 1 273.336 2.631 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccc(C(C)(C)C)c1 ZINC000615229985 352171078 /nfs/dbraw/zinc/17/10/78/352171078.db2.gz ZKOVVJGMUSPYPF-UHFFFAOYSA-N -1 1 273.336 2.974 20 0 CFADMM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000616099880 352283707 /nfs/dbraw/zinc/28/37/07/352283707.db2.gz FCTPTFQBVOXSTP-GMSGAONNSA-N -1 1 285.290 2.813 20 0 CFADMM C[C@H](CC(=O)Nc1ccc([O-])c(F)c1F)[C@H]1CCCO1 ZINC000616100958 352284473 /nfs/dbraw/zinc/28/44/73/352284473.db2.gz KTIHQAOIJABVLK-LDYMZIIASA-N -1 1 285.290 2.814 20 0 CFADMM C[C@@H]1CCC(C)(C)N1C(=O)c1ccc([O-])cc1F ZINC000616165128 352294432 /nfs/dbraw/zinc/29/44/32/352294432.db2.gz NCPGOSMKHMFWQU-SECBINFHSA-N -1 1 251.301 2.934 20 0 CFADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000616332878 352329274 /nfs/dbraw/zinc/32/92/74/352329274.db2.gz LGNUSIOAXRYGCA-MXWKQRLJSA-N -1 1 287.388 2.935 20 0 CFADMM CC(C)c1cccc(C(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000668869460 539868251 /nfs/dbraw/zinc/86/82/51/539868251.db2.gz NXFKRZWKARWIEG-UHFFFAOYSA-N -1 1 299.378 2.522 20 0 CFADMM CC(C)CCc1nnc([N-]C(=O)c2cncs2)s1 ZINC000617094854 352496150 /nfs/dbraw/zinc/49/61/50/352496150.db2.gz XVSQABJWFZVJMK-UHFFFAOYSA-N -1 1 282.394 2.836 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000618046946 352706147 /nfs/dbraw/zinc/70/61/47/352706147.db2.gz IQIHNQLYTKTEHZ-ZDUSSCGKSA-N -1 1 286.306 2.822 20 0 CFADMM O=C(N[C@@H]1CCCC12CCOCC2)c1ccc([O-])c(F)c1 ZINC000669738956 539922806 /nfs/dbraw/zinc/92/28/06/539922806.db2.gz XHWDIFFMTFIVRM-CQSZACIVSA-N -1 1 293.338 2.610 20 0 CFADMM C[C@H]1CCC[C@@H](CNC(=O)c2cc(Cl)ccc2[O-])O1 ZINC000618569592 352812725 /nfs/dbraw/zinc/81/27/25/352812725.db2.gz QZJBBOLRUVNSBY-ONGXEEELSA-N -1 1 283.755 2.733 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H](CCF)C1 ZINC000618695842 352863259 /nfs/dbraw/zinc/86/32/59/352863259.db2.gz NWIOKNBPHVMDTJ-SNVBAGLBSA-N -1 1 269.291 2.743 20 0 CFADMM CC(NC(=O)c1ccc([O-])cc1F)(C1CC1)C1CC1 ZINC000620026435 353098232 /nfs/dbraw/zinc/09/82/32/353098232.db2.gz YJOCTVKYJISADI-UHFFFAOYSA-N -1 1 263.312 2.840 20 0 CFADMM CC[C@@H](C)CS(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000292344602 198251595 /nfs/dbraw/zinc/25/15/95/198251595.db2.gz AFADTGIBZJZPSQ-PWSUYJOCSA-N -1 1 291.363 2.958 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@]1(C)CO ZINC000620446881 353172354 /nfs/dbraw/zinc/17/23/54/353172354.db2.gz AYDXDQNEFNTXJH-KZULUSFZSA-N -1 1 299.370 2.636 20 0 CFADMM C[C@]1(O)CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000153823387 188106076 /nfs/dbraw/zinc/10/60/76/188106076.db2.gz UFFPDHDNGFLAEW-KRWDZBQOSA-N -1 1 285.343 2.532 20 0 CFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1CC(C)(C)C1 ZINC000620741564 353225703 /nfs/dbraw/zinc/22/57/03/353225703.db2.gz QGHNWBPGXQMJST-UHFFFAOYSA-N -1 1 291.395 2.707 20 0 CFADMM CN(CCC1CCOCC1)C(=O)c1ccc(Cl)cc1[O-] ZINC000154517515 188148241 /nfs/dbraw/zinc/14/82/41/188148241.db2.gz XYIZPNRVFKINEW-UHFFFAOYSA-N -1 1 297.782 2.934 20 0 CFADMM COCC1(NC(=O)c2ccc([O-])c(F)c2)CCCCC1 ZINC000621022391 353262202 /nfs/dbraw/zinc/26/22/02/353262202.db2.gz MKTKLLYRRIQANQ-UHFFFAOYSA-N -1 1 281.327 2.610 20 0 CFADMM C[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1cccs1 ZINC000156892863 188286870 /nfs/dbraw/zinc/28/68/70/188286870.db2.gz QIJKOANTWQDYJS-YFKPBYRVSA-N -1 1 290.270 2.627 20 0 CFADMM Cc1cnc(C(=O)NCC(C)(C)CC(F)(F)F)c([O-])c1 ZINC000621225939 353304702 /nfs/dbraw/zinc/30/47/02/353304702.db2.gz GBRULPQZNYAFAN-UHFFFAOYSA-N -1 1 290.285 2.804 20 0 CFADMM CC1CC(C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000621312861 353321232 /nfs/dbraw/zinc/32/12/32/353321232.db2.gz JQHOFTWYYNRVGU-UHFFFAOYSA-N -1 1 297.351 2.896 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N3C[C@@H]4CCCC[C@@H]43)cnc2n1 ZINC000622131181 353482064 /nfs/dbraw/zinc/48/20/64/353482064.db2.gz HISRRJSUPPMVAM-FZMZJTMJSA-N -1 1 297.358 2.658 20 0 CFADMM Cc1ccc2c(=O)c(C(=O)N3C[C@@H]4CCCC[C@@H]43)c[n-]c2n1 ZINC000622131181 353482068 /nfs/dbraw/zinc/48/20/68/353482068.db2.gz HISRRJSUPPMVAM-FZMZJTMJSA-N -1 1 297.358 2.658 20 0 CFADMM CO[C@@H]1CCC[C@@H]1Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000292739925 198395161 /nfs/dbraw/zinc/39/51/61/198395161.db2.gz UPXGNEQLWMPQSL-SFYZADRCSA-N -1 1 276.308 2.779 20 0 CFADMM C[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H]1CO ZINC000622235487 353506754 /nfs/dbraw/zinc/50/67/54/353506754.db2.gz KUQMHTLKLPHTQI-SWLSCSKDSA-N -1 1 299.370 2.636 20 0 CFADMM CC(C)CN(CC(C)C)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000622369654 353522210 /nfs/dbraw/zinc/52/22/10/353522210.db2.gz WSYGVOGSJWXXBE-UHFFFAOYSA-N -1 1 295.452 2.894 20 0 CFADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1cscn1 ZINC000622749171 353537935 /nfs/dbraw/zinc/53/79/35/353537935.db2.gz VPHHRFHZGOMOPO-ZCFIWIBFSA-N -1 1 284.287 2.618 20 0 CFADMM O=C(NCC[C@H]1CC1(F)F)c1cc(Cl)ccc1[O-] ZINC000622205665 353499116 /nfs/dbraw/zinc/49/91/16/353499116.db2.gz QTRSMGUUJYUKLB-ZETCQYMHSA-N -1 1 275.682 2.821 20 0 CFADMM CCCC[C@H](C(=O)N[C@H](CCC)c1nn[n-]n1)C(C)C ZINC000623020444 353576991 /nfs/dbraw/zinc/57/69/91/353576991.db2.gz JZSZFBDGJYUCRX-NWDGAFQWSA-N -1 1 281.404 2.620 20 0 CFADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2c([O-])cccc2F)C1 ZINC000623194395 353592390 /nfs/dbraw/zinc/59/23/90/353592390.db2.gz BXWCFBSPNIJGPQ-SCZZXKLOSA-N -1 1 289.310 2.559 20 0 CFADMM CCN(C[C@H]1CCOC1)C(=O)c1ccc(Cl)cc1[O-] ZINC000624246081 353847103 /nfs/dbraw/zinc/84/71/03/353847103.db2.gz CMNVQWCNJFLJGQ-SNVBAGLBSA-N -1 1 283.755 2.544 20 0 CFADMM O=C(NCCC1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436752897 540012641 /nfs/dbraw/zinc/01/26/41/540012641.db2.gz SHNUHDVLGDDXSD-UHFFFAOYSA-N -1 1 273.254 2.941 20 0 CFADMM CCOCCO[C@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625265681 354008797 /nfs/dbraw/zinc/00/87/97/354008797.db2.gz VCZDKIGDEJFMQH-AWEZNQCLSA-N -1 1 299.798 2.673 20 0 CFADMM CO[C@H]1C[N@H+](Cc2cc(O)ccc2Cl)CC[C@@H]1C ZINC000625361407 354033065 /nfs/dbraw/zinc/03/30/65/354033065.db2.gz ZUJQNYNXMNFVRW-HZMBPMFUSA-N -1 1 269.772 2.902 20 0 CFADMM CC1(C)C[N@H+](Cc2cc(O)ccc2Cl)CC[C@@H]1O ZINC000625361627 354033424 /nfs/dbraw/zinc/03/34/24/354033424.db2.gz NCBYXWNZMOZRFB-ZDUSSCGKSA-N -1 1 269.772 2.638 20 0 CFADMM CCC(F)(F)C[N-]S(=O)(=O)C[C@H](C)CC(F)(F)F ZINC000625455946 354052079 /nfs/dbraw/zinc/05/20/79/354052079.db2.gz UACXWBCWJRPTEC-SSDOTTSWSA-N -1 1 297.289 2.540 20 0 CFADMM CCC[C@@H](C)CS(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000672429288 540021484 /nfs/dbraw/zinc/02/14/84/540021484.db2.gz FHMIDVFBCLVATF-ZJUUUORDSA-N -1 1 269.357 2.530 20 0 CFADMM CCC(F)(F)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000628845971 354694001 /nfs/dbraw/zinc/69/40/01/354694001.db2.gz NPRALZUMPWZSPY-UHFFFAOYSA-N -1 1 263.671 2.821 20 0 CFADMM CC(C)(C)c1cc(C(=O)Nc2cccc(F)c2[O-])n[nH]1 ZINC000628961122 354707422 /nfs/dbraw/zinc/70/74/22/354707422.db2.gz RQPDPIHSYDDXNO-UHFFFAOYSA-N -1 1 277.299 2.804 20 0 CFADMM Cc1noc(C)c1[C@@H](C)C(=O)Nc1cccc(F)c1[O-] ZINC000628960548 354707511 /nfs/dbraw/zinc/70/75/11/354707511.db2.gz MQDVSBGTXJSYBE-SSDOTTSWSA-N -1 1 278.283 2.878 20 0 CFADMM CC(C)CO[C@@H](C)C(=O)Nc1cccc(F)c1[O-] ZINC000628960497 354707645 /nfs/dbraw/zinc/70/76/45/354707645.db2.gz FCVHRAGEBZVJBI-VIFPVBQESA-N -1 1 255.289 2.531 20 0 CFADMM CC1(C)CCC[C@@](O)(C(=O)Nc2cccc(F)c2[O-])C1 ZINC000628960708 354707660 /nfs/dbraw/zinc/70/76/60/354707660.db2.gz XDRQDPBKGAAENC-HNNXBMFYSA-N -1 1 281.327 2.801 20 0 CFADMM C[C@H]1CC(F)(F)CCN1C(=O)c1c(F)ccc([O-])c1F ZINC000628962176 354708307 /nfs/dbraw/zinc/70/83/07/354708307.db2.gz KBEHLJFKFLOVSD-ZETCQYMHSA-N -1 1 291.244 2.930 20 0 CFADMM O=C(CNC(=O)c1ccc(Cl)cc1[O-])C1CCCC1 ZINC000628996502 354716986 /nfs/dbraw/zinc/71/69/86/354716986.db2.gz LOONSFMLABIGJE-UHFFFAOYSA-N -1 1 281.739 2.535 20 0 CFADMM C/C=C/CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000629032772 354726081 /nfs/dbraw/zinc/72/60/81/354726081.db2.gz HGRUCUOXHSGKPX-NSCUHMNNSA-N -1 1 259.227 2.717 20 0 CFADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C1CCOCC1 ZINC000629175174 354765048 /nfs/dbraw/zinc/76/50/48/354765048.db2.gz KFKWKHVBEYZQPL-VIFPVBQESA-N -1 1 280.393 2.967 20 0 CFADMM CC(C)n1ccc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)n1 ZINC000629373159 354791960 /nfs/dbraw/zinc/79/19/60/354791960.db2.gz HCWRHJMJHVTPQJ-QLFBSQMISA-N -1 1 291.395 2.539 20 0 CFADMM CCCCOCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000629367806 354790148 /nfs/dbraw/zinc/79/01/48/354790148.db2.gz FJFDCMCJGICHCD-UHFFFAOYSA-N -1 1 295.354 2.699 20 0 CFADMM C[C@H]1CN(Cc2cc(O)ccc2Cl)CC[C@H]1C(=O)[O-] ZINC000629501775 354821542 /nfs/dbraw/zinc/82/15/42/354821542.db2.gz VUCDJCVWPOVMMK-JOYOIKCWSA-N -1 1 283.755 2.588 20 0 CFADMM C[C@@H]1CN(Cc2cc(O)ccc2Cl)CC[C@H]1C(=O)[O-] ZINC000629501773 354821615 /nfs/dbraw/zinc/82/16/15/354821615.db2.gz 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/nfs/dbraw/zinc/07/24/17/355072417.db2.gz MPZBPPWGFIEPRV-JTQLQIEISA-N -1 1 267.756 2.847 20 0 CFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCCCCC1 ZINC000630388211 355067699 /nfs/dbraw/zinc/06/76/99/355067699.db2.gz CQMUYVVHJLWMKL-UHFFFAOYSA-N -1 1 267.756 2.991 20 0 CFADMM Cc1nn(C)c(C)c1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630599289 355124719 /nfs/dbraw/zinc/12/47/19/355124719.db2.gz QGPJDMVNUHQUAT-UHFFFAOYSA-N -1 1 293.754 2.577 20 0 CFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCCSCC1 ZINC000630756426 355169987 /nfs/dbraw/zinc/16/99/87/355169987.db2.gz ZPBCGMWLQRHLIR-UHFFFAOYSA-N -1 1 285.796 2.554 20 0 CFADMM CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630809572 355183386 /nfs/dbraw/zinc/18/33/86/355183386.db2.gz DPVLWLVREZIJCA-LBPRGKRZSA-N -1 1 297.782 2.616 20 0 CFADMM CCc1nc(SC[C@@H]2CC(C)(C)CO2)[n-]c(=O)c1C ZINC000631017170 355249066 /nfs/dbraw/zinc/24/90/66/355249066.db2.gz JMEGRSPFEHIASE-JTQLQIEISA-N -1 1 282.409 2.960 20 0 CFADMM CCc1cc(=O)[n-]c(SC[C@H]2CC(C)(C)CO2)n1 ZINC000631017661 355249826 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CCC(CC)n1ccc(CN(C)[C@H](C)CC(=O)[O-])n1 ZINC000570177945 383580580 /nfs/dbraw/zinc/58/05/80/383580580.db2.gz NUANFHASUSCYSD-LLVKDONJSA-N -1 1 267.373 2.539 20 0 CFADMM CC[C@@H](C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000450958886 383568856 /nfs/dbraw/zinc/56/88/56/383568856.db2.gz NVZIQSCLZJHFFQ-MRVPVSSYSA-N -1 1 271.313 2.649 20 0 CFADMM CC[C@H]1CCC[C@H]1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000451453208 383618850 /nfs/dbraw/zinc/61/88/50/383618850.db2.gz FVPGDRHPAOSAQE-CMPLNLGQSA-N -1 1 291.347 2.944 20 0 CFADMM C[C@@]1(C(=O)[O-])CCN(Cc2ncc(-c3cccs3)o2)C1 ZINC000570638721 383621399 /nfs/dbraw/zinc/62/13/99/383621399.db2.gz DLJSUZGSNDYMPG-CQSZACIVSA-N -1 1 292.360 2.700 20 0 CFADMM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000451513598 383633075 /nfs/dbraw/zinc/63/30/75/383633075.db2.gz AYZVWTNWVPETJP-SSDOTTSWSA-N -1 1 297.854 2.574 20 0 CFADMM CCC(C)(C)OC1CN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000529806956 383756234 /nfs/dbraw/zinc/75/62/34/383756234.db2.gz BAXSPHBIYSGUAJ-UHFFFAOYSA-N -1 1 281.327 2.561 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC(Cc2ccco2)C1 ZINC000529858588 383760916 /nfs/dbraw/zinc/76/09/16/383760916.db2.gz PPEZLUXVLYADPJ-UHFFFAOYSA-N -1 1 291.734 2.953 20 0 CFADMM CC1(C)SC[C@@H]1NC(=O)N=c1[n-]sc2ccccc21 ZINC000640338603 383765597 /nfs/dbraw/zinc/76/55/97/383765597.db2.gz FRYCDFJHNZXIKL-JTQLQIEISA-N -1 1 293.417 2.734 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)NCC1CC=CC1 ZINC000640343802 383767067 /nfs/dbraw/zinc/76/70/67/383767067.db2.gz SPQVHQAXVXVZMO-UHFFFAOYSA-N -1 1 273.361 2.806 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)NC[C@@H]1CCCS1 ZINC000640341234 383767073 /nfs/dbraw/zinc/76/70/73/383767073.db2.gz GIBVPEGSMVLTJX-VIFPVBQESA-N -1 1 293.417 2.735 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)N1CC[C@H]1C1CC1 ZINC000640340123 383767285 /nfs/dbraw/zinc/76/72/85/383767285.db2.gz OPFIXTJEGOLKIA-NSHDSACASA-N -1 1 273.361 2.734 20 0 CFADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2csc(C(C)(C)C)n2)C1 ZINC000263356745 383660149 /nfs/dbraw/zinc/66/01/49/383660149.db2.gz QZYDQUFKEFBWKI-MNOVXSKESA-N -1 1 296.436 2.983 20 0 CFADMM Cc1cc(N(C)CCC(=O)[O-])c2cc(F)ccc2n1 ZINC000263423075 383664815 /nfs/dbraw/zinc/66/48/15/383664815.db2.gz QCWHVAJRIRBKSW-UHFFFAOYSA-N -1 1 262.284 2.593 20 0 CFADMM CC(F)(F)CC[N-]S(=O)(=O)c1sccc1Cl ZINC000451615762 383668537 /nfs/dbraw/zinc/66/85/37/383668537.db2.gz WXQQGHRBZSBXIA-UHFFFAOYSA-N -1 1 289.756 2.725 20 0 CFADMM O=C([O-])C1CN(Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000263467343 383668698 /nfs/dbraw/zinc/66/86/98/383668698.db2.gz CYORLMFLSBUSMO-UHFFFAOYSA-N -1 1 293.269 2.741 20 0 CFADMM Cc1oc(CN(C)C[C@H](C)C(F)(F)F)cc1C(=O)[O-] ZINC000571172313 383670343 /nfs/dbraw/zinc/67/03/43/383670343.db2.gz UYGFBIHMDAWJJM-ZETCQYMHSA-N -1 1 279.258 2.916 20 0 CFADMM C[C@@H](CN(C)C(=O)C(=O)c1ccc([O-])cc1)C(C)(C)C ZINC000636429414 383809203 /nfs/dbraw/zinc/80/92/03/383809203.db2.gz GWIUPLJQKGQKAQ-NSHDSACASA-N -1 1 277.364 2.716 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@H]2C=CCCC2)c1 ZINC000436505830 383824279 /nfs/dbraw/zinc/82/42/79/383824279.db2.gz 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O=C(Nc1ccc2[nH]ccc2c1)C(=O)c1ccc([O-])cc1 ZINC000436766142 383893600 /nfs/dbraw/zinc/89/36/00/383893600.db2.gz RAIGVJJPQOCFLU-UHFFFAOYSA-N -1 1 280.283 2.695 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCOc1cccc(C)c1 ZINC000646409056 383986663 /nfs/dbraw/zinc/98/66/63/383986663.db2.gz BQQAVSODFDECHA-UHFFFAOYSA-N -1 1 289.335 2.530 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000646410412 383988892 /nfs/dbraw/zinc/98/88/92/383988892.db2.gz HJXGSJZCRGXGTH-GRYCIOLGSA-N -1 1 277.368 2.969 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1nc(-c2ccccc2)oc1C ZINC000646409410 383989312 /nfs/dbraw/zinc/98/93/12/383989312.db2.gz IGLLHBURWHOQLS-UHFFFAOYSA-N -1 1 298.302 2.639 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccc2ccccc21 ZINC000646409722 383989386 /nfs/dbraw/zinc/98/93/86/383989386.db2.gz UXJXDIPFFVODGI-UHFFFAOYSA-N -1 1 267.288 2.829 20 0 CFADMM CC[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C1CCCC1 ZINC000454324660 383993772 /nfs/dbraw/zinc/99/37/72/383993772.db2.gz NXRARUNYUIALQY-ZDUSSCGKSA-N -1 1 299.374 2.622 20 0 CFADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@H](C)[C@H](C)O1 ZINC000438420047 384000465 /nfs/dbraw/zinc/00/04/65/384000465.db2.gz VRGIXRNGAIGDLG-BBBLOLIVSA-N -1 1 283.755 2.684 20 0 CFADMM CCC[C@H](C(=O)[O-])N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000573571374 383954142 /nfs/dbraw/zinc/95/41/42/383954142.db2.gz VMXZUKZBFDADCO-KGLIPLIRSA-N -1 1 299.317 2.591 20 0 CFADMM Cc1cc[nH]c1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000438241564 383975981 /nfs/dbraw/zinc/97/59/81/383975981.db2.gz XNHKBOXUIOMJEP-UHFFFAOYSA-N -1 1 282.303 2.671 20 0 CFADMM C[C@]12CCN(C(=O)c3ccc([O-])c(F)c3)C[C@H]1C2(F)F ZINC000646535326 384023621 /nfs/dbraw/zinc/02/36/21/384023621.db2.gz YZCVQKJSCSQVPJ-YPMHNXCESA-N -1 1 285.265 2.649 20 0 CFADMM CC1(C)CC=C(C(=O)Nc2nc(-c3ccccn3)n[nH]2)CC1 ZINC000454959255 384093380 /nfs/dbraw/zinc/09/33/80/384093380.db2.gz MACMYJCQOYGPNR-UHFFFAOYSA-N -1 1 297.362 2.942 20 0 CFADMM O=S(=O)(CCC1CCCCC1)[N-]c1ccc(F)cn1 ZINC000574878993 384158497 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CFADMM CCOC[C@H](NC(=O)c1ccc(Cl)cc1[O-])C(C)C ZINC000233763271 393782730 /nfs/dbraw/zinc/78/27/30/393782730.db2.gz KNMAYBUQDDTNTA-LBPRGKRZSA-N -1 1 285.771 2.837 20 0 CFADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C[C@H](C)O1 ZINC000245501982 393809796 /nfs/dbraw/zinc/80/97/96/393809796.db2.gz DXZLOJPWMKLRJJ-DOFRTFSJSA-N -1 1 283.755 2.731 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)C(C)(C)C(C)(C)C)n1 ZINC000415652085 393814677 /nfs/dbraw/zinc/81/46/77/393814677.db2.gz UUSCSAFRZBQSCZ-UHFFFAOYSA-N -1 1 281.356 2.597 20 0 CFADMM CN(CCn1cccn1)C(=O)c1cc2ccccc2cc1[O-] ZINC000109971571 393880649 /nfs/dbraw/zinc/88/06/49/393880649.db2.gz VTCBJJPSLIJGDV-UHFFFAOYSA-N -1 1 295.342 2.514 20 0 CFADMM COCCCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000119019085 393912963 /nfs/dbraw/zinc/91/29/63/393912963.db2.gz IHJUJEFQBJXADQ-UHFFFAOYSA-N -1 1 282.287 2.720 20 0 CFADMM CC(C)[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1sccc1F ZINC000416549470 393927146 /nfs/dbraw/zinc/92/71/46/393927146.db2.gz OMFBWWZPUHVTME-KOLCDFICSA-N -1 1 277.386 2.600 20 0 CFADMM O=S(=O)([N-]C[C@H]1CC12CC2)c1cc(Cl)ccc1F ZINC000416649888 393935954 /nfs/dbraw/zinc/93/59/54/393935954.db2.gz PVQOLAMGPFYFEE-MRVPVSSYSA-N -1 1 289.759 2.558 20 0 CFADMM Cc1cnc(C(=O)Nc2cccc(Cl)c2[O-])c(O)c1 ZINC000436810117 394023222 /nfs/dbraw/zinc/02/32/22/394023222.db2.gz WIVQBOKHHHUGCL-UHFFFAOYSA-N -1 1 278.695 2.707 20 0 CFADMM Cc1cnc(C(=O)Nc2cccc(Cl)c2O)c([O-])c1 ZINC000436810117 394023225 /nfs/dbraw/zinc/02/32/25/394023225.db2.gz WIVQBOKHHHUGCL-UHFFFAOYSA-N -1 1 278.695 2.707 20 0 CFADMM COC(=O)c1cncnc1/C=C/c1ccc([O-])c(Cl)c1 ZINC000436817990 394024105 /nfs/dbraw/zinc/02/41/05/394024105.db2.gz TWDHOOIUCMTBCN-DUXPYHPUSA-N -1 1 290.706 2.793 20 0 CFADMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccco1)c1ccccc1 ZINC000417562345 393975756 /nfs/dbraw/zinc/97/57/56/393975756.db2.gz MHARXCOLBIQKKF-BXUZGUMPSA-N -1 1 259.305 2.831 20 0 CFADMM Cc1csc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000417620198 393985273 /nfs/dbraw/zinc/98/52/73/393985273.db2.gz FXAAZTCEFWUQDP-OLZOCXBDSA-N 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ZINC000528211724 394402973 /nfs/dbraw/zinc/40/29/73/394402973.db2.gz VCFILNPASMTBIU-CYBMUJFWSA-N -1 1 294.468 2.587 20 0 CFADMM O=C(NC[C@@H]1Cc2ccccc21)c1c(F)ccc([O-])c1F ZINC000685423016 542910660 /nfs/dbraw/zinc/91/06/60/542910660.db2.gz GTEZOYLAJDCCMM-JTQLQIEISA-N -1 1 289.281 2.740 20 0 CFADMM O=C(c1c(F)ccc([O-])c1F)N1CC(CC(F)(F)F)C1 ZINC000685447813 542914838 /nfs/dbraw/zinc/91/48/38/542914838.db2.gz DLTRDGSBWMSRKL-UHFFFAOYSA-N -1 1 295.207 2.695 20 0 CFADMM CC1(NC(=O)C(=O)c2ccc([O-])cc2)CCC(F)(F)CC1 ZINC000529802624 394424735 /nfs/dbraw/zinc/42/47/35/394424735.db2.gz ALVPLHQUEPJLBF-UHFFFAOYSA-N -1 1 297.301 2.659 20 0 CFADMM CCCN(Cc1ccc(C)cc1)Cc1cnc(C(=O)[O-])cn1 ZINC000530163109 394463872 /nfs/dbraw/zinc/46/38/72/394463872.db2.gz WUPLWROZZSOUFK-UHFFFAOYSA-N -1 1 299.374 2.895 20 0 CFADMM C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2)C[C@@H](C(=O)[O-])O1 ZINC000530171764 394467746 /nfs/dbraw/zinc/46/77/46/394467746.db2.gz DSCPBGMCMITKAD-DOMZBBRYSA-N -1 1 291.391 2.658 20 0 CFADMM CC(C)=CCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530169819 394467910 /nfs/dbraw/zinc/46/79/10/394467910.db2.gz VIMHEEMFCYDRLX-UHFFFAOYSA-N -1 1 263.312 2.848 20 0 CFADMM Cc1cc(CN2CCC(F)(F)C[C@H]2C)oc1C(=O)[O-] ZINC000530173943 394469761 /nfs/dbraw/zinc/46/97/61/394469761.db2.gz SJJULZOJCUWZMK-SECBINFHSA-N -1 1 273.279 2.906 20 0 CFADMM C[C@@H]1CC(F)(F)CCN1Cc1ccoc1C(=O)[O-] ZINC000530174227 394470137 /nfs/dbraw/zinc/47/01/37/394470137.db2.gz WJNPBZSECLANJY-MRVPVSSYSA-N -1 1 259.252 2.597 20 0 CFADMM COCC1(C(=O)Nc2cccc(F)c2[O-])CCCC1 ZINC000530006365 394441720 /nfs/dbraw/zinc/44/17/20/394441720.db2.gz RIVPZIHNAPCGIA-UHFFFAOYSA-N -1 1 267.300 2.677 20 0 CFADMM CC(C)([N-]S(=O)(=O)c1cc2ccccc2o1)C1CC1 ZINC000536552705 394559586 /nfs/dbraw/zinc/55/95/86/394559586.db2.gz HHIGMWMRYNIIAN-UHFFFAOYSA-N -1 1 279.361 2.900 20 0 CFADMM O=S(=O)([N-]C1(C2CC2)CC1)c1c(F)cccc1Cl ZINC000545211883 394782879 /nfs/dbraw/zinc/78/28/79/394782879.db2.gz ZJNIFDBQCUBNBV-UHFFFAOYSA-N -1 1 289.759 2.700 20 0 CFADMM CCO[C@@H](C)c1nccn1CC(=O)c1ccc([O-])cc1 ZINC000547315630 394858400 /nfs/dbraw/zinc/85/84/00/394858400.db2.gz VXZFGNJNMBTUSE-NSHDSACASA-N -1 1 274.320 2.569 20 0 CFADMM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000685862498 542952594 /nfs/dbraw/zinc/95/25/94/542952594.db2.gz JZFSNMWXTKJACL-VFZGTOFNSA-N -1 1 287.290 2.783 20 0 CFADMM Cc1ccc([C@H](C)CNC(=O)c2ncccc2[O-])cc1 ZINC000548304365 394921697 /nfs/dbraw/zinc/92/16/97/394921697.db2.gz OCEFFXYWIAAHQS-GFCCVEGCSA-N -1 1 270.332 2.629 20 0 CFADMM Cc1ccc(C(=O)Nc2ccncc2[O-])c(F)c1Cl ZINC000556063646 394989138 /nfs/dbraw/zinc/98/91/38/394989138.db2.gz YPSFVQWZMDCPHY-UHFFFAOYSA-N -1 1 280.686 2.562 20 0 CFADMM CC(C)CCCS(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000556072588 394989409 /nfs/dbraw/zinc/98/94/09/394989409.db2.gz CNZJVPRXALIRHU-UHFFFAOYSA-N -1 1 293.392 2.682 20 0 CFADMM CC(C)CCCS(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000556072588 394989412 /nfs/dbraw/zinc/98/94/12/394989412.db2.gz CNZJVPRXALIRHU-UHFFFAOYSA-N -1 1 293.392 2.682 20 0 CFADMM CC(C)(C)n1cc(NC(=O)c2cc(F)ccc2[O-])cn1 ZINC000175208806 542992631 /nfs/dbraw/zinc/99/26/31/542992631.db2.gz CPKFMUAAQVBDIK-UHFFFAOYSA-N -1 1 277.299 2.735 20 0 CFADMM C[C@@H](F)CCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000647267354 395266199 /nfs/dbraw/zinc/26/61/99/395266199.db2.gz IIIFFCSBCMZMMK-SSDOTTSWSA-N -1 1 279.233 2.889 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2[nH]nc(C(C)C)c2C)c(C)o1 ZINC000647278933 395267444 /nfs/dbraw/zinc/26/74/44/395267444.db2.gz XVAVFKPYWPIWPD-UHFFFAOYSA-N -1 1 297.380 2.852 20 0 CFADMM C[C@H](CNC(=O)c1ccc([O-])c(F)c1)CC(F)F ZINC000648962194 395376873 /nfs/dbraw/zinc/37/68/73/395376873.db2.gz TYGGAFPBBOXYAX-ZETCQYMHSA-N -1 1 261.243 2.552 20 0 CFADMM C[C@@H](CNC(=O)c1ccc([O-])c(F)c1)CC(F)F ZINC000648962193 395377128 /nfs/dbraw/zinc/37/71/28/395377128.db2.gz TYGGAFPBBOXYAX-SSDOTTSWSA-N -1 1 261.243 2.552 20 0 CFADMM O=C(Nc1cc2c(cn1)CCC2)c1ccc([O-])c(F)c1 ZINC000647469405 395349719 /nfs/dbraw/zinc/34/97/19/395349719.db2.gz BYBDERCFHCLTEZ-UHFFFAOYSA-N -1 1 272.279 2.667 20 0 CFADMM CC(C)[C@H]1N(C(=O)c2ncccc2[O-])CC12CC=CC2 ZINC000649140556 395438081 /nfs/dbraw/zinc/43/80/81/395438081.db2.gz YUSXSWIVQXHYOA-CQSZACIVSA-N -1 1 272.348 2.604 20 0 CFADMM C[C@H]1SCC[C@@H]1NC(=O)c1cc(Cl)ccc1[O-] ZINC000310499064 413083555 /nfs/dbraw/zinc/08/35/55/413083555.db2.gz QLVVMJPSRVXPMT-XCBNKYQSSA-N -1 1 271.769 2.669 20 0 CFADMM CC1(C)CN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000381781514 543091150 /nfs/dbraw/zinc/09/11/50/543091150.db2.gz FBWOOAXXEWKIIT-UHFFFAOYSA-N -1 1 284.153 2.637 20 0 CFADMM Cc1ccc(CCS(=O)(=O)[N-][C@H](C)C(C)(F)F)cc1 ZINC000451070574 292096610 /nfs/dbraw/zinc/09/66/10/292096610.db2.gz OPFWRORBHDEQQS-LLVKDONJSA-N -1 1 291.363 2.501 20 0 CFADMM C[C@H]1COCCC[N@@H+]1Cc1cccc(O)c1Cl ZINC000398956881 397561087 /nfs/dbraw/zinc/56/10/87/397561087.db2.gz WBKZZCLORQWSMY-JTQLQIEISA-N -1 1 255.745 2.656 20 0 CFADMM C[C@@H]1COCCC[N@@H+]1Cc1cccc(O)c1Cl ZINC000398956883 397561481 /nfs/dbraw/zinc/56/14/81/397561481.db2.gz WBKZZCLORQWSMY-SNVBAGLBSA-N -1 1 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ZINC000314683467 265176921 /nfs/dbraw/zinc/17/69/21/265176921.db2.gz RSVAQNCHBHIDQQ-LBPRGKRZSA-N -1 1 295.342 2.560 20 0 CFADMM COC[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000094093828 265215797 /nfs/dbraw/zinc/21/57/97/265215797.db2.gz BQPXTZKUSKYJKP-CQSZACIVSA-N -1 1 289.306 2.649 20 0 CFADMM COc1ccc(C(=O)Nc2cccc3[nH]cnc32)c([O-])c1 ZINC000094157195 265222052 /nfs/dbraw/zinc/22/20/52/265222052.db2.gz BSHSJTSZBDKWPD-UHFFFAOYSA-N -1 1 283.287 2.529 20 0 CFADMM C[C@@H](C(=O)[N-]OC1CCCCC1)c1cccc(O)c1 ZINC000827647707 782039857 /nfs/dbraw/zinc/03/98/57/782039857.db2.gz TZOXXDBNCGDKLG-LLVKDONJSA-N -1 1 263.337 2.876 20 0 CFADMM Cc1ccc(CN(C)CCOc2ccccc2C(=O)[O-])o1 ZINC000035732113 270225251 /nfs/dbraw/zinc/22/52/51/270225251.db2.gz DBOFDVREXHKREG-UHFFFAOYSA-N -1 1 289.331 2.797 20 0 CFADMM O=c1cc(C2CC2)nc(SCCOCC2CC2)[n-]1 ZINC000195086228 270250197 /nfs/dbraw/zinc/25/01/97/270250197.db2.gz SIBOUUJMYNBWSR-UHFFFAOYSA-N -1 1 266.366 2.578 20 0 CFADMM C[C@@H]1CCC[C@@H]1CNC(=O)c1ccc([O-])cc1F ZINC000232386291 270261510 /nfs/dbraw/zinc/26/15/10/270261510.db2.gz LYXGCKXXFVYGHL-NXEZZACHSA-N -1 1 251.301 2.697 20 0 CFADMM C[C@@H](Cn1ccnc1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000314841718 270291887 /nfs/dbraw/zinc/29/18/87/270291887.db2.gz VHLCRVWHJSATFY-LBPRGKRZSA-N -1 1 295.342 2.560 20 0 CFADMM O=S(=O)([N-]c1cccc(F)c1Cl)c1ccoc1 ZINC000334306616 270300454 /nfs/dbraw/zinc/30/04/54/270300454.db2.gz GZWLEFZQPSJHCV-UHFFFAOYSA-N -1 1 275.688 2.873 20 0 CFADMM CC(C)(O)C(C)(C)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000393556458 270307370 /nfs/dbraw/zinc/30/73/70/270307370.db2.gz OIKMNJBYKFKLKD-UHFFFAOYSA-N -1 1 285.771 2.573 20 0 CFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H](F)C1 ZINC000515306956 270367160 /nfs/dbraw/zinc/36/71/60/270367160.db2.gz MSJFKGKYZSHXIY-SECBINFHSA-N -1 1 291.244 2.985 20 0 CFADMM Cc1cc(C(=O)[O-])cc(-c2ccc3[nH]nnc3c2)c1 ZINC001243182880 782044630 /nfs/dbraw/zinc/04/46/30/782044630.db2.gz UWZOZJNIRVQPMC-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM Cc1cc(C(=O)[O-])cc(-c2ccc3nn[nH]c3c2)c1 ZINC001243182880 782044642 /nfs/dbraw/zinc/04/46/42/782044642.db2.gz UWZOZJNIRVQPMC-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM CC[C@H]1c2ccsc2CCN1C(=O)c1ncccc1[O-] ZINC000153575369 276674787 /nfs/dbraw/zinc/67/47/87/276674787.db2.gz ZFYCFBCSSSUVEP-NSHDSACASA-N -1 1 288.372 2.998 20 0 CFADMM CC(C)(C)C[C@@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000109960176 278333973 /nfs/dbraw/zinc/33/39/73/278333973.db2.gz FXASNXMBBFVKPJ-LBPRGKRZSA-N -1 1 262.353 2.828 20 0 CFADMM C[C@H]1CCCC[C@@]1(C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000332601594 278336600 /nfs/dbraw/zinc/33/66/00/278336600.db2.gz NMEOXVPUBBEPIY-APPDUMDISA-N -1 1 299.374 2.622 20 0 CFADMM C[C@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)[C@H]1c1ccccc1 ZINC000336436144 279787996 /nfs/dbraw/zinc/78/79/96/279787996.db2.gz IFOVTPDGAIVHOL-BLLLJJGKSA-N -1 1 295.338 2.795 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1n[nH]c2c1CCCCC2 ZINC000276581430 280018317 /nfs/dbraw/zinc/01/83/17/280018317.db2.gz UJBXYHKDXIYIOK-UHFFFAOYSA-N -1 1 289.310 2.776 20 0 CFADMM O=C(c1ccccc1[O-])N1CCCc2cccc(O)c21 ZINC000063063737 280213726 /nfs/dbraw/zinc/21/37/26/280213726.db2.gz KEUOWQHLXZCZNB-UHFFFAOYSA-N -1 1 269.300 2.691 20 0 CFADMM Cc1noc([N-]C(=O)c2oc3ccc(F)cc3c2C)n1 ZINC000048699778 280431401 /nfs/dbraw/zinc/43/14/01/280431401.db2.gz PNIGTTDAKRFGCA-UHFFFAOYSA-N -1 1 275.239 2.824 20 0 CFADMM CC[C@@H](COC)NC(=O)c1ccc2ccccc2c1[O-] ZINC000079768533 280536510 /nfs/dbraw/zinc/53/65/10/280536510.db2.gz ANQPOKJOHRUKGS-LBPRGKRZSA-N -1 1 273.332 2.700 20 0 CFADMM CN(Cc1nccs1)C(=O)c1cc(Cl)ccc1[O-] ZINC000080652249 280540309 /nfs/dbraw/zinc/54/03/09/280540309.db2.gz LOPZSVBPMLWFRH-UHFFFAOYSA-N -1 1 282.752 2.774 20 0 CFADMM C[C@@H](CNC(=O)c1c([O-])cccc1F)c1nccs1 ZINC000131912977 280724878 /nfs/dbraw/zinc/72/48/78/280724878.db2.gz DWYFWBMGGUDZJM-QMMMGPOBSA-N -1 1 280.324 2.521 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1 ZINC000132865316 280737009 /nfs/dbraw/zinc/73/70/09/280737009.db2.gz XRKXFPSUNQDHHN-UHFFFAOYSA-N -1 1 289.356 2.826 20 0 CFADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1C ZINC000134776309 280763060 /nfs/dbraw/zinc/76/30/60/280763060.db2.gz LUSFEFCUHRIFJM-UHFFFAOYSA-N -1 1 289.356 2.998 20 0 CFADMM CC[C@H](C)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000275166919 280800647 /nfs/dbraw/zinc/80/06/47/280800647.db2.gz RMMXJTYXVBEGOU-NWDGAFQWSA-N -1 1 262.353 2.828 20 0 CFADMM O=C(/C=C\Sc1ccccc1)[N-]O[C@@H]1CCCCO1 ZINC000255073039 281086042 /nfs/dbraw/zinc/08/60/42/281086042.db2.gz LZVZPNRVYIHQRB-RBJHHQRMSA-N -1 1 279.361 2.867 20 0 CFADMM CCC[C@H](NC(=O)C/C=C\c1ccc(C)cc1)c1nn[n-]n1 ZINC000255500125 281099679 /nfs/dbraw/zinc/09/96/79/281099679.db2.gz WBPRXBFUPRVTJG-SDQPKGBYSA-N -1 1 299.378 2.569 20 0 CFADMM CCOCCO[C@@H](C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000278107462 281127679 /nfs/dbraw/zinc/12/76/79/281127679.db2.gz IMBFYPNMDRGMLJ-VIFPVBQESA-N -1 1 296.298 2.695 20 0 CFADMM CO[C@@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1(C)C ZINC000296133587 281141629 /nfs/dbraw/zinc/14/16/29/281141629.db2.gz QSJZXWYJRADOIW-LLVKDONJSA-N -1 1 299.317 2.558 20 0 CFADMM CC1(C2(N=c3nc(C(F)(F)F)[n-]s3)CC2)CC1 ZINC000398227542 281205248 /nfs/dbraw/zinc/20/52/48/281205248.db2.gz VHJXXTRVQPWHNE-UHFFFAOYSA-N -1 1 263.288 2.723 20 0 CFADMM CC1(F)CC([N-]S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000451628797 281246367 /nfs/dbraw/zinc/24/63/67/281246367.db2.gz FWJQQQKBZONVTF-UHFFFAOYSA-N -1 1 295.738 2.648 20 0 CFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CC2CCC1CC2 ZINC000519577052 281308924 /nfs/dbraw/zinc/30/89/24/281308924.db2.gz GPKOMAUNWVHNOM-RRQHEKLDSA-N -1 1 288.273 2.588 20 0 CFADMM Cc1ccccc1[C@@H]1CCN(C(=O)c2cncc([O-])c2)C1 ZINC000264705586 281365115 /nfs/dbraw/zinc/36/51/15/281365115.db2.gz CNGGXQFWWTYULG-CYBMUJFWSA-N -1 1 282.343 2.725 20 0 CFADMM Cc1nc2cc(NC(=O)c3ccccc3[O-])ccc2n1C ZINC000536075794 281515682 /nfs/dbraw/zinc/51/56/82/281515682.db2.gz ZBNSXFUDVWLHBO-UHFFFAOYSA-N -1 1 281.315 2.840 20 0 CFADMM CCCC[C@H](Sc1nc(C)c(C)c(=O)[n-]1)C(=O)OC ZINC000538516283 281554483 /nfs/dbraw/zinc/55/44/83/281554483.db2.gz SUWJGWTVIITGAU-JTQLQIEISA-N -1 1 284.381 2.623 20 0 CFADMM Cc1cnc(C(=O)N[C@H]2CCCOc3ccccc32)c([O-])c1 ZINC000358594702 281575710 /nfs/dbraw/zinc/57/57/10/281575710.db2.gz CKHGWZTVRVMCFY-ZDUSSCGKSA-N -1 1 298.342 2.739 20 0 CFADMM CCCc1nc(C)c([N-]S(=O)(=O)CCC2CC2)s1 ZINC000548270668 281775570 /nfs/dbraw/zinc/77/55/70/281775570.db2.gz YQTACKBEAFXFEH-UHFFFAOYSA-N -1 1 288.438 2.946 20 0 CFADMM O=C(Nc1cccc2cc[nH]c21)c1csc(=NC2CC2)[n-]1 ZINC000548475597 281786939 /nfs/dbraw/zinc/78/69/39/281786939.db2.gz QZTQQAMDTDBTHB-UHFFFAOYSA-N -1 1 298.371 2.873 20 0 CFADMM O=S(=O)([N-]CCC1(F)CCC1)c1cc2ccccc2o1 ZINC000553551573 281878434 /nfs/dbraw/zinc/87/84/34/281878434.db2.gz WYWNYDYEGZWUKG-UHFFFAOYSA-N -1 1 297.351 2.993 20 0 CFADMM CCc1cc(=O)[n-]c(S[C@@H]2CCCC(C)(C)C2=O)n1 ZINC000560813571 282042290 /nfs/dbraw/zinc/04/22/90/282042290.db2.gz SYIXVMNNWGTNJJ-SNVBAGLBSA-N -1 1 280.393 2.985 20 0 CFADMM C[C@@H](c1ccccc1)N(C)C(=O)c1ncccc1[O-] ZINC000153505293 289869838 /nfs/dbraw/zinc/86/98/38/289869838.db2.gz AFAMALOYHVUSSV-NSHDSACASA-N -1 1 256.305 2.620 20 0 CFADMM Cc1[nH]nc([N-]S(=O)(=O)CCC2CCCCC2)c1C ZINC000562707272 290069050 /nfs/dbraw/zinc/06/90/50/290069050.db2.gz OVBKIIQCWLQLIY-UHFFFAOYSA-N -1 1 285.413 2.739 20 0 CFADMM Cc1ccccc1OCCN(C)Cc1occc1C(=O)[O-] ZINC000563278466 290127669 /nfs/dbraw/zinc/12/76/69/290127669.db2.gz KSRUVKYYJQNLFX-UHFFFAOYSA-N -1 1 289.331 2.797 20 0 CFADMM CCc1nc(SCc2ccncc2F)[n-]c(=O)c1C ZINC000563439534 290151728 /nfs/dbraw/zinc/15/17/28/290151728.db2.gz MDPHTDVZCZPRMO-UHFFFAOYSA-N -1 1 279.340 2.879 20 0 CFADMM Cc1nc2cc(NC3CCC(C(=O)[O-])CC3)ccc2n1C ZINC000563690088 290168696 /nfs/dbraw/zinc/16/86/96/290168696.db2.gz WZNHAQUVFLAABG-UHFFFAOYSA-N -1 1 287.363 2.937 20 0 CFADMM CCc1nnc([C@H](C)Sc2nc(CC)c(C)c(=O)[n-]2)o1 ZINC000565312673 290294070 /nfs/dbraw/zinc/29/40/70/290294070.db2.gz BUYFLZHZSITQOT-QMMMGPOBSA-N -1 1 294.380 2.852 20 0 CFADMM C[C@H](CN(C)[C@@H](C)c1ncc(C(C)(C)C)o1)C(=O)[O-] ZINC000565487399 290304791 /nfs/dbraw/zinc/30/47/91/290304791.db2.gz SJLPTMJJSPQSAC-ZJUUUORDSA-N -1 1 268.357 2.686 20 0 CFADMM C[C@@H]1CN(Cc2csc(C3CC3)n2)C[C@@]1(C)C(=O)[O-] ZINC000566368220 290377062 /nfs/dbraw/zinc/37/70/62/290377062.db2.gz VEEJSPMKXYSXQD-YMTOWFKASA-N -1 1 280.393 2.563 20 0 CFADMM CCc1nc(S[C@@H]2C[C@@H](C)CCC2=O)[n-]c(=O)c1C ZINC000566498789 290395658 /nfs/dbraw/zinc/39/56/58/290395658.db2.gz NQSBPADICYTIFN-QPUJVOFHSA-N -1 1 280.393 2.903 20 0 CFADMM C[C@@]12C[N@@H+](Cc3cc(C(=O)[O-])co3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000566510091 290397274 /nfs/dbraw/zinc/39/72/74/290397274.db2.gz IZDNOOKIKUIIIL-FTYZYXLQSA-N -1 1 273.332 2.622 20 0 CFADMM CCc1cc(=O)[n-]c(S[C@@H]2C[C@@H](C)CCC2=O)n1 ZINC000568951271 290578379 /nfs/dbraw/zinc/57/83/79/290578379.db2.gz PGACSJHVTVMZDL-GZMMTYOYSA-N -1 1 266.366 2.594 20 0 CFADMM Cc1ccc(-c2ccc3[nH]nnc3c2)cc1C(=O)[O-] ZINC001243195716 782057271 /nfs/dbraw/zinc/05/72/71/782057271.db2.gz VLKNQTLSUNEWBC-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM Cc1ccc(-c2ccc3nn[nH]c3c2)cc1C(=O)[O-] ZINC001243195716 782057273 /nfs/dbraw/zinc/05/72/73/782057273.db2.gz VLKNQTLSUNEWBC-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM C[C@H]1COCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000334324073 300339591 /nfs/dbraw/zinc/33/95/91/300339591.db2.gz KGBMKPPKEPIPGD-GFCCVEGCSA-N -1 1 285.343 2.654 20 0 CFADMM Cc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)o1 ZINC000417612130 301588745 /nfs/dbraw/zinc/58/87/45/301588745.db2.gz BLSPZXWXHHZGKM-LSDHHAIUSA-N -1 1 271.316 2.991 20 0 CFADMM Cc1cnc(C(=O)N2CCCC[C@H]2c2cccn2C)c([O-])c1 ZINC000336565712 302332119 /nfs/dbraw/zinc/33/21/19/302332119.db2.gz UDLJMKJRKWLQSS-AWEZNQCLSA-N -1 1 299.374 2.802 20 0 CFADMM O=C([N-]c1nc(C2CC2)cs1)c1nnc(C2CC2)o1 ZINC000828219255 782082743 /nfs/dbraw/zinc/08/27/43/782082743.db2.gz WKRWIEZOLMTABK-UHFFFAOYSA-N -1 1 276.321 2.533 20 0 CFADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2cncc([O-])c2)C1 ZINC000162870636 322369608 /nfs/dbraw/zinc/36/96/08/322369608.db2.gz AWFYQYYGUUMKPF-AAEUAGOBSA-N -1 1 280.393 2.533 20 0 CFADMM O=c1cc(C(F)(F)F)nc(SCc2nccs2)[n-]1 ZINC000163029039 322371757 /nfs/dbraw/zinc/37/17/57/322371757.db2.gz PTZYWSQIVQPVNE-UHFFFAOYSA-N -1 1 293.295 2.950 20 0 CFADMM CCc1ccc(CN[C@@H](CC(=O)[O-])c2ccncc2)o1 ZINC000569825827 322499412 /nfs/dbraw/zinc/49/94/12/322499412.db2.gz WQBPEPSCVWYEKM-AWEZNQCLSA-N -1 1 274.320 2.543 20 0 CFADMM CN(Cc1cccc(O)c1)C(=O)c1c(F)ccc([O-])c1F ZINC000570152113 322516227 /nfs/dbraw/zinc/51/62/27/322516227.db2.gz LXEPUWOGDQRTBA-UHFFFAOYSA-N -1 1 293.269 2.648 20 0 CFADMM Cc1nc(S(=O)(=O)[N-][C@@]2(C)CC=CCC2)sc1C ZINC000570784097 322551348 /nfs/dbraw/zinc/55/13/48/322551348.db2.gz NVUFSRZTCKRQHF-LBPRGKRZSA-N -1 1 286.422 2.537 20 0 CFADMM C[C@H](CNC(=O)c1c(F)ccc([O-])c1F)C(F)(F)F ZINC000571365447 322580465 /nfs/dbraw/zinc/58/04/65/322580465.db2.gz MZHAFMFSBLZGNI-RXMQYKEDSA-N -1 1 283.196 2.599 20 0 CFADMM C[C@@H]1C[C@H](CCNC(=O)c2c(F)ccc([O-])c2F)CCO1 ZINC000575027963 322715315 /nfs/dbraw/zinc/71/53/15/322715315.db2.gz 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/nfs/dbraw/zinc/21/30/15/527213015.db2.gz HQDBETMVWMNEMT-UHFFFAOYSA-N -1 1 283.727 2.507 20 0 CFADMM O=S(=O)([N-][C@@H]1CCCSC1)c1sccc1Cl ZINC000336272567 527236150 /nfs/dbraw/zinc/23/61/50/527236150.db2.gz SNPYEEXZOCREBR-SSDOTTSWSA-N -1 1 297.854 2.575 20 0 CFADMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccoc1 ZINC000336328762 527245629 /nfs/dbraw/zinc/24/56/29/527245629.db2.gz PPPVRDFAIJMWEY-UHFFFAOYSA-N -1 1 275.688 2.873 20 0 CFADMM Cc1nccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000161858651 527343801 /nfs/dbraw/zinc/34/38/01/527343801.db2.gz XHNALRZOBDOLSP-UHFFFAOYSA-N -1 1 297.358 2.590 20 0 CFADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1CCC(F)(F)C1 ZINC000336476671 527451726 /nfs/dbraw/zinc/45/17/26/527451726.db2.gz RTJWVECYTNIDRK-MRVPVSSYSA-N -1 1 297.330 2.934 20 0 CFADMM CC(C)(C)CNC(=O)c1ccc(Br)c([O-])c1 ZINC000149326444 527688064 /nfs/dbraw/zinc/68/80/64/527688064.db2.gz RQZCCQZPTGRXFX-UHFFFAOYSA-N -1 1 286.169 2.931 20 0 CFADMM Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000069497831 527696399 /nfs/dbraw/zinc/69/63/99/527696399.db2.gz VNTKRBFOOAXIJL-MRVPVSSYSA-N -1 1 293.754 2.579 20 0 CFADMM CC(C)(C)C[C@H](O)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000172303911 527703219 /nfs/dbraw/zinc/70/32/19/527703219.db2.gz PNDOQYUVZZBUPD-JTQLQIEISA-N -1 1 285.771 2.573 20 0 CFADMM CCCCC[C@@H](CC)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000123520176 528256252 /nfs/dbraw/zinc/25/62/52/528256252.db2.gz HBBUKVZJXNZOBY-CHWSQXEVSA-N -1 1 293.415 2.512 20 0 CFADMM CC(C)c1nc(=N[C@H](C)CCCc2cccnc2)o[n-]1 ZINC000413391724 528258369 /nfs/dbraw/zinc/25/83/69/528258369.db2.gz HJCFVTXOXQTQTH-GFCCVEGCSA-N -1 1 274.368 2.833 20 0 CFADMM CC(C)n1cc(CN[C@H](C(=O)[O-])c2ccccc2F)cn1 ZINC000426787190 528565820 /nfs/dbraw/zinc/56/58/20/528565820.db2.gz BSBOMJFGLBNPBA-AWEZNQCLSA-N -1 1 291.326 2.519 20 0 CFADMM CCN(CCc1cccs1)C(=O)c1ncc(C)cc1[O-] ZINC000426442342 528597510 /nfs/dbraw/zinc/59/75/10/528597510.db2.gz KPBJRSBXBKQBJG-UHFFFAOYSA-N -1 1 290.388 2.862 20 0 CFADMM CCCc1nc(=N[C@H](CCC)C(=O)OC(C)(C)C)s[n-]1 ZINC000461936438 535477800 /nfs/dbraw/zinc/47/78/00/535477800.db2.gz NCZAVGMZAICMLY-SNVBAGLBSA-N -1 1 299.440 2.835 20 0 CFADMM CCCC[C@@H](CC)CNc1cccc(-c2nnn[n-]2)n1 ZINC000736439407 574053295 /nfs/dbraw/zinc/05/32/95/574053295.db2.gz VDYSWZMEXROMLA-LLVKDONJSA-N -1 1 274.372 2.890 20 0 CFADMM CCCC[C@@H](CC)CNc1cccc(-c2nn[n-]n2)n1 ZINC000736439407 574053298 /nfs/dbraw/zinc/05/32/98/574053298.db2.gz VDYSWZMEXROMLA-LLVKDONJSA-N -1 1 274.372 2.890 20 0 CFADMM C[C@@H](c1cccc(O)c1)N(C)Cc1ccoc1C(=O)[O-] ZINC000736719289 574068502 /nfs/dbraw/zinc/06/85/02/574068502.db2.gz XBAANNMBFPRXPM-JTQLQIEISA-N -1 1 275.304 2.876 20 0 CFADMM CC[C@H](C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744536159 574079390 /nfs/dbraw/zinc/07/93/90/574079390.db2.gz GHCSJHOYPGMWKT-JTQLQIEISA-N -1 1 264.321 2.727 20 0 CFADMM CC[C@H]1C[C@H](C)CN1C(=O)c1nnc2ccccc2c1O ZINC000744764954 574086057 /nfs/dbraw/zinc/08/60/57/574086057.db2.gz YPVIXCVMGGVGMZ-QWRGUYRKSA-N -1 1 285.347 2.596 20 0 CFADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1nnc2ccccc2c1O ZINC000744764951 574086091 /nfs/dbraw/zinc/08/60/91/574086091.db2.gz YPVIXCVMGGVGMZ-GHMZBOCLSA-N -1 1 285.347 2.596 20 0 CFADMM CCCN1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000737030176 574098801 /nfs/dbraw/zinc/09/88/01/574098801.db2.gz KYKDDWUKXFPLAN-AWEZNQCLSA-N -1 1 290.363 2.506 20 0 CFADMM Cc1cccc2c1CC[C@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000737411250 574139095 /nfs/dbraw/zinc/13/90/95/574139095.db2.gz XUHRBZWQFNSZDT-CYBMUJFWSA-N -1 1 292.346 2.670 20 0 CFADMM Cc1cccc2c1CC[C@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000737411250 574139100 /nfs/dbraw/zinc/13/91/00/574139100.db2.gz XUHRBZWQFNSZDT-CYBMUJFWSA-N -1 1 292.346 2.670 20 0 CFADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2SC1CCCC1 ZINC000738437270 574168837 /nfs/dbraw/zinc/16/88/37/574168837.db2.gz NIRJJZIMOMHAEM-UHFFFAOYSA-N -1 1 298.375 2.845 20 0 CFADMM Cc1cccc2c1CCN(Cc1ccc(C(=O)[O-])o1)C2 ZINC000738747037 574183053 /nfs/dbraw/zinc/18/30/53/574183053.db2.gz DMIKRLGFBMEDRP-UHFFFAOYSA-N -1 1 271.316 2.845 20 0 CFADMM O=C([O-])CCCN[C@@H](c1nccs1)c1ccccc1 ZINC000738582230 574184473 /nfs/dbraw/zinc/18/44/73/574184473.db2.gz MSZHNUQBTPBJQU-CYBMUJFWSA-N -1 1 276.361 2.687 20 0 CFADMM C[C@H](c1c(F)cccc1F)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739050585 574194874 /nfs/dbraw/zinc/19/48/74/574194874.db2.gz AZOSOSHGDLDPMW-GHMZBOCLSA-N -1 1 298.333 2.958 20 0 CFADMM Cc1cc(CNCc2ccc(C(=O)[O-])cc2)c(C)o1 ZINC000756282735 574221308 /nfs/dbraw/zinc/22/13/08/574221308.db2.gz RCAPUTMHMIAXIZ-UHFFFAOYSA-N -1 1 259.305 2.884 20 0 CFADMM Cc1cc(CNCc2cccc(C(=O)[O-])c2)c(C)o1 ZINC000756303649 574223235 /nfs/dbraw/zinc/22/32/35/574223235.db2.gz XOVNWELOORMAJW-UHFFFAOYSA-N -1 1 259.305 2.884 20 0 CFADMM COc1ccc(C)cc1CN1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739892833 574227745 /nfs/dbraw/zinc/22/77/45/574227745.db2.gz UEXOPZPYYOOAQO-CQSZACIVSA-N -1 1 292.379 2.578 20 0 CFADMM O=C([O-])N1CCC[C@@H](Nc2ccnc3cc(F)ccc32)C1 ZINC000739927396 574229766 /nfs/dbraw/zinc/22/97/66/574229766.db2.gz GUOXNFOUIBBNLI-LLVKDONJSA-N -1 1 289.310 2.928 20 0 CFADMM O=C([O-])NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000739937500 574229782 /nfs/dbraw/zinc/22/97/82/574229782.db2.gz YJCJHHAXXNVFTR-CYBMUJFWSA-N -1 1 282.771 2.962 20 0 CFADMM Cc1[nH]c(S[C@@H](C)C(=O)[O-])nc1Cc1ccccc1 ZINC000740028706 574232774 /nfs/dbraw/zinc/23/27/74/574232774.db2.gz VQHHLKDDICGEFW-JTQLQIEISA-N -1 1 276.361 2.874 20 0 CFADMM CCO[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)C12CCCCC2 ZINC000748338372 574247822 /nfs/dbraw/zinc/24/78/22/574247822.db2.gz HXRFEZSMODESQI-NXEZZACHSA-N -1 1 279.302 2.793 20 0 CFADMM O=C([O-])N1CC[C@H](CN2CCCC[C@H]2c2nccs2)C1 ZINC000740500768 574251459 /nfs/dbraw/zinc/25/14/59/574251459.db2.gz RGDNPHJWLOHDNH-NEPJUHHUSA-N -1 1 295.408 2.670 20 0 CFADMM Cc1[nH]nc(C(=O)N2CCc3cc(C(C)(C)C)ccc32)c1[O-] ZINC000749223987 574284906 /nfs/dbraw/zinc/28/49/06/574284906.db2.gz RAHPFUYBUIAFDR-UHFFFAOYSA-N -1 1 299.374 2.924 20 0 CFADMM CC(C)c1nc(COC(=O)c2c([O-])cc(F)cc2F)no1 ZINC000749280996 574287475 /nfs/dbraw/zinc/28/74/75/574287475.db2.gz WZDRZCSDGNXERF-UHFFFAOYSA-N -1 1 298.245 2.534 20 0 CFADMM C[C@H]1Cc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000749388078 574292129 /nfs/dbraw/zinc/29/21/29/574292129.db2.gz PRQLINRDCBBKRN-OIBJUYFYSA-N -1 1 275.245 2.937 20 0 CFADMM COc1ccc(C2([N-]C(=O)C(F)(F)C(F)F)CC2)cc1 ZINC000749387619 574292652 /nfs/dbraw/zinc/29/26/52/574292652.db2.gz CNNXLLGKIINGPS-UHFFFAOYSA-N -1 1 291.244 2.701 20 0 CFADMM O=C(CCC1CC1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000734612049 574295642 /nfs/dbraw/zinc/29/56/42/574295642.db2.gz GPHSJDHUTYRVBV-UHFFFAOYSA-N -1 1 288.299 2.732 20 0 CFADMM O=C(NC1CCSCC1)c1c([O-])cccc1Cl ZINC000749961208 574318951 /nfs/dbraw/zinc/31/89/51/574318951.db2.gz PJNVOAPURDMBKO-UHFFFAOYSA-N -1 1 271.769 2.671 20 0 CFADMM CC(C)[C@@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000735703137 574333557 /nfs/dbraw/zinc/33/35/57/574333557.db2.gz RVHDHUFGWXADOQ-LURJTMIESA-N -1 1 286.792 2.681 20 0 CFADMM CC(C)[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000735703137 574333560 /nfs/dbraw/zinc/33/35/60/574333560.db2.gz RVHDHUFGWXADOQ-LURJTMIESA-N -1 1 286.792 2.681 20 0 CFADMM CCCCCC[C@](C)(CCC)C(=O)NCc1nn[n-]n1 ZINC000742663242 574338377 /nfs/dbraw/zinc/33/83/77/574338377.db2.gz IZLHJYVBKPXIQL-AWEZNQCLSA-N -1 1 281.404 2.593 20 0 CFADMM CC(C)c1cccc(Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC000735932686 574343241 /nfs/dbraw/zinc/34/32/41/574343241.db2.gz PSJNATPAFJENSD-UHFFFAOYSA-N -1 1 281.323 2.524 20 0 CFADMM CC(C)c1cccc(Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC000735932686 574343242 /nfs/dbraw/zinc/34/32/42/574343242.db2.gz PSJNATPAFJENSD-UHFFFAOYSA-N -1 1 281.323 2.524 20 0 CFADMM C[C@@H](CCc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000735993430 574346951 /nfs/dbraw/zinc/34/69/51/574346951.db2.gz RSZHTMZAZILOGY-LBPRGKRZSA-N -1 1 294.362 2.695 20 0 CFADMM C[C@@H](CCc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000735993430 574346953 /nfs/dbraw/zinc/34/69/53/574346953.db2.gz RSZHTMZAZILOGY-LBPRGKRZSA-N -1 1 294.362 2.695 20 0 CFADMM C[C@@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000736025858 574348069 /nfs/dbraw/zinc/34/80/69/574348069.db2.gz JFDOAADOVNRLGR-JTQLQIEISA-N -1 1 298.325 2.616 20 0 CFADMM C[C@@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000736025858 574348071 /nfs/dbraw/zinc/34/80/71/574348071.db2.gz JFDOAADOVNRLGR-JTQLQIEISA-N -1 1 298.325 2.616 20 0 CFADMM C[C@H]1CCCC[C@@H]1CCNc1cccc(-c2nnn[n-]2)n1 ZINC000736273903 574359012 /nfs/dbraw/zinc/35/90/12/574359012.db2.gz SWQMRRAJXPQTJJ-NWDGAFQWSA-N -1 1 286.383 2.890 20 0 CFADMM C[C@H]1CCCC[C@@H]1CCNc1cccc(-c2nn[n-]n2)n1 ZINC000736273903 574359015 /nfs/dbraw/zinc/35/90/15/574359015.db2.gz SWQMRRAJXPQTJJ-NWDGAFQWSA-N -1 1 286.383 2.890 20 0 CFADMM CC[C@H](C)[C@@H](C)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736329640 574362986 /nfs/dbraw/zinc/36/29/86/574362986.db2.gz KALVWUXCDVKBKD-VHSXEESVSA-N -1 1 297.366 2.656 20 0 CFADMM CC[C@H](C)[C@@H](C)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736329640 574362988 /nfs/dbraw/zinc/36/29/88/574362988.db2.gz KALVWUXCDVKBKD-VHSXEESVSA-N -1 1 297.366 2.656 20 0 CFADMM CC(C)CC[C@@](C)(O)CNC(=O)c1c([O-])cccc1Cl ZINC000743719222 574371421 /nfs/dbraw/zinc/37/14/21/574371421.db2.gz XUTPSRLVYYQZCI-OAHLLOKOSA-N -1 1 299.798 2.963 20 0 CFADMM CC1(C)C[C@@H]1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000751797420 574383045 /nfs/dbraw/zinc/38/30/45/574383045.db2.gz PVNTVRCDBIGHSB-GFCCVEGCSA-N -1 1 288.299 2.588 20 0 CFADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H]1C ZINC000752806805 574395421 /nfs/dbraw/zinc/39/54/21/574395421.db2.gz CZUXXAILBLLUDO-DTORHVGOSA-N -1 1 253.729 2.774 20 0 CFADMM c1cc(N[C@@H]2C[C@@H]2C2CCCCC2)nc(-c2nnn[n-]2)c1 ZINC000823757080 599042413 /nfs/dbraw/zinc/04/24/13/599042413.db2.gz LUFXBCAUHFWEFI-DGCLKSJQSA-N -1 1 284.367 2.642 20 0 CFADMM c1cc(N[C@@H]2C[C@@H]2C2CCCCC2)nc(-c2nn[n-]n2)c1 ZINC000823757080 599042415 /nfs/dbraw/zinc/04/24/15/599042415.db2.gz LUFXBCAUHFWEFI-DGCLKSJQSA-N -1 1 284.367 2.642 20 0 CFADMM O=C([O-])C[C@@H]1CCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000819380804 597076322 /nfs/dbraw/zinc/07/63/22/597076322.db2.gz VHHUJTCCHDEDLM-JTQLQIEISA-N -1 1 292.310 2.654 20 0 CFADMM CC[C@H](C)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820862980 607326331 /nfs/dbraw/zinc/32/63/31/607326331.db2.gz SEXAPJJPNQHIJL-WDSKDSINSA-N -1 1 286.792 2.823 20 0 CFADMM CC[C@H](C)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820862980 607326332 /nfs/dbraw/zinc/32/63/32/607326332.db2.gz SEXAPJJPNQHIJL-WDSKDSINSA-N -1 1 286.792 2.823 20 0 CFADMM Cc1cc(CN2CCC[C@H](CC(=O)[O-])C2)cnc1Cl ZINC000820976638 598151462 /nfs/dbraw/zinc/15/14/62/598151462.db2.gz NLUMLNJFFDDALU-LLVKDONJSA-N -1 1 282.771 2.730 20 0 CFADMM COC[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000223597036 598175986 /nfs/dbraw/zinc/17/59/86/598175986.db2.gz PDEOPZKHZRZSRN-INIZCTEOSA-N -1 1 285.343 2.862 20 0 CFADMM Cc1ccccc1[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000095326143 599398238 /nfs/dbraw/zinc/39/82/38/599398238.db2.gz FUJDTNGWIBFKLT-NSHDSACASA-N -1 1 280.335 2.743 20 0 CFADMM Cc1ccccc1[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000095326143 599398242 /nfs/dbraw/zinc/39/82/42/599398242.db2.gz FUJDTNGWIBFKLT-NSHDSACASA-N -1 1 280.335 2.743 20 0 CFADMM CCCN(CC)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900144328 620642811 /nfs/dbraw/zinc/64/28/11/620642811.db2.gz XNMFVVCVKRIKQV-UHFFFAOYSA-N -1 1 276.311 2.952 20 0 CFADMM CCCCCC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825268651 608430214 /nfs/dbraw/zinc/43/02/14/608430214.db2.gz XGQDGYGTJOVCJN-UHFFFAOYSA-N -1 1 289.387 2.675 20 0 CFADMM CCCCCC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825268651 608430215 /nfs/dbraw/zinc/43/02/15/608430215.db2.gz XGQDGYGTJOVCJN-UHFFFAOYSA-N -1 1 289.387 2.675 20 0 CFADMM Cc1ccc(Sc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000095323559 607894409 /nfs/dbraw/zinc/89/44/09/607894409.db2.gz NXPXTEQMNRWCRJ-UHFFFAOYSA-N -1 1 269.333 2.721 20 0 CFADMM Cc1ccc(Sc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000095323559 607894410 /nfs/dbraw/zinc/89/44/10/607894410.db2.gz NXPXTEQMNRWCRJ-UHFFFAOYSA-N -1 1 269.333 2.721 20 0 CFADMM O=C([O-])[C@@H](Sc1nnc(C2CC2)[nH]1)c1ccccc1F ZINC000833169577 600836696 /nfs/dbraw/zinc/83/66/96/600836696.db2.gz KHIISJQKAUQXEA-JTQLQIEISA-N -1 1 293.323 2.739 20 0 CFADMM CN(Cc1occc1C(=O)[O-])[C@H](CCO)c1ccccc1 ZINC000830883062 600840445 /nfs/dbraw/zinc/84/04/45/600840445.db2.gz HLOWXJYEYWEEAU-CQSZACIVSA-N -1 1 289.331 2.533 20 0 CFADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H]1c1cnn(C)c1 ZINC000386933688 600997979 /nfs/dbraw/zinc/99/79/79/600997979.db2.gz KQXRIJXKOZYALE-PWSUYJOCSA-N -1 1 289.335 2.609 20 0 CFADMM C[C@](NCc1cc(-c2ccccc2)no1)(C(=O)[O-])C1CC1 ZINC000827734777 601035358 /nfs/dbraw/zinc/03/53/58/601035358.db2.gz LKKQJRQIPFUJHU-MRXNPFEDSA-N -1 1 286.331 2.685 20 0 CFADMM COc1ccc2nc(SC/C=C(/C)C(=O)[O-])[nH]c2c1 ZINC000088629930 601097124 /nfs/dbraw/zinc/09/71/24/601097124.db2.gz USRHRYQTQUVHBR-YVMONPNESA-N -1 1 278.333 2.695 20 0 CFADMM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccc(Cl)c2O)C1 ZINC000833184914 601210937 /nfs/dbraw/zinc/21/09/37/601210937.db2.gz DQYBGMZKZJRWLO-BDAKNGLRSA-N -1 1 297.738 2.875 20 0 CFADMM Fc1cccc(Sc2ccncc2)c1-c1nn[n-]n1 ZINC000822792003 607495381 /nfs/dbraw/zinc/49/53/81/607495381.db2.gz PDXQCLVNTODHKI-UHFFFAOYSA-N -1 1 273.296 2.552 20 0 CFADMM CO[C@@H](C)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901619995 620870340 /nfs/dbraw/zinc/87/03/40/620870340.db2.gz WJJODGCQMFOOCD-JTQLQIEISA-N -1 1 276.361 2.976 20 0 CFADMM CC[C@@H](c1ccc(F)cc1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000829021752 601448693 /nfs/dbraw/zinc/44/86/93/601448693.db2.gz XUHKRFKAQKJOEQ-GXTWGEPZSA-N -1 1 269.291 2.775 20 0 CFADMM CC[C@@H](C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)N(CC)CC ZINC000828603559 601466634 /nfs/dbraw/zinc/46/66/34/601466634.db2.gz MBWKSEUIYRZUSE-QWRGUYRKSA-N -1 1 297.351 2.702 20 0 CFADMM C[C@@H]1CN(Cc2csc(-c3ccoc3)n2)C[C@H]1C(=O)[O-] ZINC000828462938 601531655 /nfs/dbraw/zinc/53/16/55/601531655.db2.gz NIXUXHNBSKLSHW-BXKDBHETSA-N -1 1 292.360 2.556 20 0 CFADMM C[C@@H]1CN(Cc2cc(-c3cccs3)on2)C[C@H]1C(=O)[O-] ZINC000235400126 601539198 /nfs/dbraw/zinc/53/91/98/601539198.db2.gz AKQJARZHIDBLNM-MWLCHTKSSA-N -1 1 292.360 2.556 20 0 CFADMM C[C@@H]1CN(Cc2csc(C(C)(C)C)n2)C[C@H]1C(=O)[O-] ZINC000235327911 601540831 /nfs/dbraw/zinc/54/08/31/601540831.db2.gz IQUWYWQJLXEKHT-MWLCHTKSSA-N -1 1 282.409 2.593 20 0 CFADMM CC[C@@](C)(CC(=O)[O-])NCc1nc(-c2cccs2)no1 ZINC000828671140 601556047 /nfs/dbraw/zinc/55/60/47/601556047.db2.gz AOVKSCRIRHQNCV-ZDUSSCGKSA-N -1 1 295.364 2.531 20 0 CFADMM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@H](C)[C@@H]2C)c(C)c1C(=O)[O-] ZINC000832843683 601566938 /nfs/dbraw/zinc/56/69/38/601566938.db2.gz ZJKHWDWSGMHVFI-UWJYBYFXSA-N -1 1 292.379 2.631 20 0 CFADMM CCN(Cc1cnn(C)c1)Cc1cc(C(=O)[O-])sc1C ZINC000829735008 601626169 /nfs/dbraw/zinc/62/61/69/601626169.db2.gz ZWAWYNCXPPYXQQ-UHFFFAOYSA-N -1 1 293.392 2.510 20 0 CFADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@@H]1c1ccccc1 ZINC000900202168 620652171 /nfs/dbraw/zinc/65/21/71/620652171.db2.gz DSQJILVBFFJCLX-CQSZACIVSA-N -1 1 295.342 2.647 20 0 CFADMM CC[C@@H](C(=O)OCc1ccc(C(=O)[O-])s1)N(CC)CC ZINC000828603998 602010454 /nfs/dbraw/zinc/01/04/54/602010454.db2.gz RVKAUUJMGYTMQF-NSHDSACASA-N -1 1 299.392 2.610 20 0 CFADMM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(CC1CC1)CC3 ZINC000833324866 602041190 /nfs/dbraw/zinc/04/11/90/602041190.db2.gz GEWJQVWCOBFPHG-UHFFFAOYSA-N -1 1 270.332 2.634 20 0 CFADMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)c(F)c1 ZINC000228612992 602145793 /nfs/dbraw/zinc/14/57/93/602145793.db2.gz NISFTABNLOXNBZ-OAHLLOKOSA-N -1 1 289.306 2.750 20 0 CFADMM Cc1nc(CN[C@@]2(CNC(=O)[O-])CCCC[C@@H]2C)oc1C ZINC000740222966 602433700 /nfs/dbraw/zinc/43/37/00/602433700.db2.gz FSXSPSFXKIPFNL-ZUZCIYMTSA-N -1 1 295.383 2.598 20 0 CFADMM O=C([O-])N1CCC[C@@H]1CC(=O)Nc1cccc(Cl)c1O ZINC000831340366 603614206 /nfs/dbraw/zinc/61/42/06/603614206.db2.gz VJBYPGBBMBIXRM-MRVPVSSYSA-N -1 1 298.726 2.517 20 0 CFADMM O=C([O-])N1CCC[C@H]1CC(=O)Nc1cccc(Cl)c1O ZINC000831340367 603614503 /nfs/dbraw/zinc/61/45/03/603614503.db2.gz VJBYPGBBMBIXRM-QMMMGPOBSA-N -1 1 298.726 2.517 20 0 CFADMM CSc1ccc(CN2CCC[C@@H]2CNC(=O)[O-])cc1 ZINC000829760689 604079518 /nfs/dbraw/zinc/07/95/18/604079518.db2.gz PDOLXGYWDRQYQJ-GFCCVEGCSA-N -1 1 280.393 2.641 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000825265460 604169718 /nfs/dbraw/zinc/16/97/18/604169718.db2.gz RXIRZHAMRVQEEJ-ZYHUDNBSSA-N -1 1 298.333 2.833 20 0 CFADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000825262959 604204062 /nfs/dbraw/zinc/20/40/62/604204062.db2.gz DPDMSSGGEDYBCY-QWRGUYRKSA-N -1 1 298.333 2.833 20 0 CFADMM C[C@@H](NC[C@H]1CCCN1C(=O)[O-])c1cccnc1Cl ZINC000825490530 604294949 /nfs/dbraw/zinc/29/49/49/604294949.db2.gz MABNDAGGVKUEPW-NXEZZACHSA-N -1 1 283.759 2.528 20 0 CFADMM C[C@H](NCc1ccc(C(=O)[O-])o1)c1ccc2c(c1)OCO2 ZINC000071380909 604330808 /nfs/dbraw/zinc/33/08/08/604330808.db2.gz TXXODMPXKJCCQX-VIFPVBQESA-N -1 1 289.287 2.557 20 0 CFADMM Cc1cscc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000826321728 607703842 /nfs/dbraw/zinc/70/38/42/607703842.db2.gz NNDVWQMXJSERPD-UHFFFAOYSA-N -1 1 277.378 2.910 20 0 CFADMM Cc1oc(C(=O)[O-])cc1CN(C)CCOC(C)(C)C ZINC000708580960 604677676 /nfs/dbraw/zinc/67/76/76/604677676.db2.gz DLEBKSBXTHYXBE-UHFFFAOYSA-N -1 1 269.341 2.533 20 0 CFADMM C[C@@H](C(=O)Nc1cc(C(=O)[O-])cs1)N1[C@H](C)CC[C@H]1C ZINC000828214980 604705737 /nfs/dbraw/zinc/70/57/37/604705737.db2.gz XDGORPOFQSNRHQ-BBBLOLIVSA-N -1 1 296.392 2.646 20 0 CFADMM Cc1ccnc(NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000832983927 604800730 /nfs/dbraw/zinc/80/07/30/604800730.db2.gz JCUIJDNFDNBQGS-CYBMUJFWSA-N -1 1 256.305 2.670 20 0 CFADMM O=C([O-])c1ccc(CNCc2cncc3ccccc32)o1 ZINC000833315444 604805549 /nfs/dbraw/zinc/80/55/49/604805549.db2.gz SIWNYMRWUDMJQN-UHFFFAOYSA-N -1 1 282.299 2.816 20 0 CFADMM C[C@@H](C(=O)[O-])[C@H](NCc1nccs1)c1ccccc1 ZINC000833408769 604973464 /nfs/dbraw/zinc/97/34/64/604973464.db2.gz VSGPZSMPOGMIDJ-MFKMUULPSA-N -1 1 276.361 2.695 20 0 CFADMM C[C@H](c1ccc(Cl)cc1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833547116 604979953 /nfs/dbraw/zinc/97/99/53/604979953.db2.gz ANRZTLVBWOMYJZ-QMTHXVAHSA-N -1 1 297.782 2.559 20 0 CFADMM C[C@H](c1ccccc1Cl)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833548616 604984341 /nfs/dbraw/zinc/98/43/41/604984341.db2.gz FRZAHLMHCUNBPU-QMTHXVAHSA-N -1 1 297.782 2.559 20 0 CFADMM CCN(CC1CC1)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000833654648 605045607 /nfs/dbraw/zinc/04/56/07/605045607.db2.gz YPIKNVFCJYYXAU-NSHDSACASA-N -1 1 292.379 2.633 20 0 CFADMM CC(C)C[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000824228781 607731076 /nfs/dbraw/zinc/73/10/76/607731076.db2.gz KUJREECIBAMGPP-ZCFIWIBFSA-N -1 1 286.792 2.823 20 0 CFADMM CC(C)C[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000824228781 607731078 /nfs/dbraw/zinc/73/10/78/607731078.db2.gz KUJREECIBAMGPP-ZCFIWIBFSA-N -1 1 286.792 2.823 20 0 CFADMM Cc1nc(C(C)C)sc1[C@H](C)NC1CN(C(=O)[O-])C1 ZINC000830709825 605099455 /nfs/dbraw/zinc/09/94/55/605099455.db2.gz TUMVKNRMCHTFMI-QMMMGPOBSA-N -1 1 283.397 2.588 20 0 CFADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833605690 605116645 /nfs/dbraw/zinc/11/66/45/605116645.db2.gz KRAZMAKGURYWSR-BDAKNGLRSA-N -1 1 290.285 2.876 20 0 CFADMM CC(C)(C)C[C@@H](Sc1nnc(C2CC2)[nH]1)C(=O)[O-] ZINC000833428869 605149265 /nfs/dbraw/zinc/14/92/65/605149265.db2.gz AVKFWCFDWKUBEZ-MRVPVSSYSA-N -1 1 269.370 2.664 20 0 CFADMM CC(C)(C)C[C@@H](Sc1n[nH]c(C2CC2)n1)C(=O)[O-] ZINC000833428869 605149266 /nfs/dbraw/zinc/14/92/66/605149266.db2.gz AVKFWCFDWKUBEZ-MRVPVSSYSA-N -1 1 269.370 2.664 20 0 CFADMM Cc1cnc(CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cn1 ZINC000833754431 605179298 /nfs/dbraw/zinc/17/92/98/605179298.db2.gz ZVKUDXWUOFQULU-OAHLLOKOSA-N -1 1 299.374 2.727 20 0 CFADMM Cc1nc([C@@H](C)N[C@H]2CCCCN(C(=O)[O-])C2)cs1 ZINC000830709947 605480724 /nfs/dbraw/zinc/48/07/24/605480724.db2.gz XBWSCMLBBJJPHC-KOLCDFICSA-N -1 1 283.397 2.635 20 0 CFADMM O=C([O-])NC[C@@H]1CCN(Cc2cnc(C3CCC3)s2)C1 ZINC000834226226 605577579 /nfs/dbraw/zinc/57/75/79/605577579.db2.gz UGFRQUSOTVNVNL-JTQLQIEISA-N -1 1 295.408 2.500 20 0 CFADMM CCc1ncc(CN(C)CC[C@@H](NC(=O)[O-])C(C)C)s1 ZINC000833865747 605671141 /nfs/dbraw/zinc/67/11/41/605671141.db2.gz DNQUPKNAGPZWIG-GFCCVEGCSA-N -1 1 299.440 2.820 20 0 CFADMM Cc1ncsc1CN(C)CC[C@@H](NC(=O)[O-])C(C)C ZINC000833916672 605671554 /nfs/dbraw/zinc/67/15/54/605671554.db2.gz CKVUXIWYHKFINP-LLVKDONJSA-N -1 1 285.413 2.566 20 0 CFADMM CC(C)OC1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000833503618 605835862 /nfs/dbraw/zinc/83/58/62/605835862.db2.gz FNUMGHFCHANKHC-UHFFFAOYSA-N -1 1 295.354 2.913 20 0 CFADMM O=C([O-])N1CCC[C@@H](NCc2cscc2Cl)C1 ZINC000834107377 606010090 /nfs/dbraw/zinc/01/00/90/606010090.db2.gz ONXDVYNPHSVFHU-SECBINFHSA-N -1 1 274.773 2.634 20 0 CFADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H](C)c1ccccc1 ZINC000820461379 606141754 /nfs/dbraw/zinc/14/17/54/606141754.db2.gz IYWFFZAUUPIMSZ-NEPJUHHUSA-N -1 1 294.362 2.866 20 0 CFADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H](C)c1ccccc1 ZINC000820461379 606141756 /nfs/dbraw/zinc/14/17/56/606141756.db2.gz IYWFFZAUUPIMSZ-NEPJUHHUSA-N -1 1 294.362 2.866 20 0 CFADMM c1cc(-c2nn[n-]n2)sc1CNc1ccccc1 ZINC000823786670 606411970 /nfs/dbraw/zinc/41/19/70/606411970.db2.gz ASWBPZQIMZBRQM-UHFFFAOYSA-N -1 1 257.322 2.540 20 0 CFADMM CCC[C@@H]1C[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000821041082 606420040 /nfs/dbraw/zinc/42/00/40/606420040.db2.gz YUZSHCIHYLWZBE-RITPCOANSA-N -1 1 284.776 2.577 20 0 CFADMM CCC[C@@H]1C[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000821041082 606420042 /nfs/dbraw/zinc/42/00/42/606420042.db2.gz YUZSHCIHYLWZBE-RITPCOANSA-N -1 1 284.776 2.577 20 0 CFADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C1CCCC1 ZINC000820456517 606465488 /nfs/dbraw/zinc/46/54/88/606465488.db2.gz UWFGCYRIDILANG-MRVPVSSYSA-N -1 1 292.774 2.906 20 0 CFADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C1CCCC1 ZINC000820456517 606465491 /nfs/dbraw/zinc/46/54/91/606465491.db2.gz UWFGCYRIDILANG-MRVPVSSYSA-N -1 1 292.774 2.906 20 0 CFADMM C[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H]1C ZINC000820710376 606467983 /nfs/dbraw/zinc/46/79/83/606467983.db2.gz PXZOEDBKJYSLRZ-IUCAKERBSA-N -1 1 292.774 2.540 20 0 CFADMM C[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H]1C ZINC000820710376 606467984 /nfs/dbraw/zinc/46/79/84/606467984.db2.gz PXZOEDBKJYSLRZ-IUCAKERBSA-N -1 1 292.774 2.540 20 0 CFADMM Cc1ccc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1F ZINC000822229484 606733224 /nfs/dbraw/zinc/73/32/24/606733224.db2.gz VSXQLHYGQQHQLG-JTQLQIEISA-N -1 1 298.325 2.882 20 0 CFADMM Cc1ccc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1F ZINC000822229484 606733225 /nfs/dbraw/zinc/73/32/25/606733225.db2.gz VSXQLHYGQQHQLG-JTQLQIEISA-N -1 1 298.325 2.882 20 0 CFADMM Fc1ccc(Oc2cccc(-c3nnn[n-]3)n2)cc1Cl ZINC000095163557 607894214 /nfs/dbraw/zinc/89/42/14/607894214.db2.gz TUPAZYBMMGEQSL-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM Fc1ccc(Oc2cccc(-c3nn[n-]n3)n2)cc1Cl ZINC000095163557 607894215 /nfs/dbraw/zinc/89/42/15/607894215.db2.gz TUPAZYBMMGEQSL-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM CCC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccn1 ZINC000825242308 607898889 /nfs/dbraw/zinc/89/88/89/607898889.db2.gz NZSKYMLFUNFBAP-GFCCVEGCSA-N -1 1 295.350 2.610 20 0 CFADMM CCC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccn1 ZINC000825242308 607898890 /nfs/dbraw/zinc/89/88/90/607898890.db2.gz NZSKYMLFUNFBAP-GFCCVEGCSA-N -1 1 295.350 2.610 20 0 CFADMM CC(C)(C)c1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824135369 607987351 /nfs/dbraw/zinc/98/73/51/607987351.db2.gz DYADQZUHRDSCTB-UHFFFAOYSA-N -1 1 295.350 2.698 20 0 CFADMM CC(C)(C)c1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824135369 607987352 /nfs/dbraw/zinc/98/73/52/607987352.db2.gz DYADQZUHRDSCTB-UHFFFAOYSA-N -1 1 295.350 2.698 20 0 CFADMM CC[C@@H](Sc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000825158791 608431607 /nfs/dbraw/zinc/43/16/07/608431607.db2.gz AGRYXMOLWPPCCK-GFCCVEGCSA-N -1 1 298.375 2.900 20 0 CFADMM CC[C@@H](Sc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000825158791 608431608 /nfs/dbraw/zinc/43/16/08/608431608.db2.gz AGRYXMOLWPPCCK-GFCCVEGCSA-N -1 1 298.375 2.900 20 0 CFADMM Cc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826289711 609172241 /nfs/dbraw/zinc/17/22/41/609172241.db2.gz KCZBXWPKCCQBJJ-UHFFFAOYSA-N -1 1 285.376 2.873 20 0 CFADMM Fc1ccc2c(c1)N(Cc1ccc(-c3nnn[n-]3)o1)CCC2 ZINC000826376163 609175216 /nfs/dbraw/zinc/17/52/16/609175216.db2.gz QWUUYNDCJMOFLQ-UHFFFAOYSA-N -1 1 299.309 2.552 20 0 CFADMM Fc1ccc2c(c1)N(Cc1ccc(-c3nn[n-]n3)o1)CCC2 ZINC000826376163 609175217 /nfs/dbraw/zinc/17/52/17/609175217.db2.gz QWUUYNDCJMOFLQ-UHFFFAOYSA-N -1 1 299.309 2.552 20 0 CFADMM O=C(Nc1noc2c1CCCC2)c1ccccc1[O-] ZINC000900774550 620711362 /nfs/dbraw/zinc/71/13/62/620711362.db2.gz RYXNDWHRGVRPRD-UHFFFAOYSA-N -1 1 258.277 2.511 20 0 CFADMM CC[C@@H]1CCCCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900793769 620714890 /nfs/dbraw/zinc/71/48/90/620714890.db2.gz XRIGYRMTAHJCQD-GFCCVEGCSA-N -1 1 289.379 2.854 20 0 CFADMM C[C@@H](Cc1ccco1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000042373376 620722441 /nfs/dbraw/zinc/72/24/41/620722441.db2.gz HNRAHOAZDPECQR-VIFPVBQESA-N -1 1 279.723 3.000 20 0 CFADMM C[C@H]1CCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900894090 620726433 /nfs/dbraw/zinc/72/64/33/620726433.db2.gz BKBGUGVCYURGHV-VIFPVBQESA-N -1 1 274.295 2.704 20 0 CFADMM CC(C)C[C@H]1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900907033 620728994 /nfs/dbraw/zinc/72/89/94/620728994.db2.gz CZHLKICZXBJUFV-LLVKDONJSA-N -1 1 289.379 2.568 20 0 CFADMM CC/C=C(/C)C(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067074671 617606160 /nfs/dbraw/zinc/60/61/60/617606160.db2.gz AXYWRHVJZDITAS-POHAHGRESA-N -1 1 282.413 2.537 20 0 CFADMM Cc1cc(C[C@H](C)Nc2ncc(C(=O)[O-])cc2Cl)[nH]n1 ZINC000900988872 620739533 /nfs/dbraw/zinc/73/95/33/620739533.db2.gz PMSFGKKLQHLPNF-ZETCQYMHSA-N -1 1 294.742 2.508 20 0 CFADMM O=[N+]([O-])c1c([N-]c2cnn(CC3CC3)c2)nc2ccccn21 ZINC000078675922 617780071 /nfs/dbraw/zinc/78/00/71/617780071.db2.gz DJVSMBCRYJSQAH-UHFFFAOYSA-N -1 1 298.306 2.593 20 0 CFADMM CC(C)c1cccnc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901186715 620759011 /nfs/dbraw/zinc/75/90/11/620759011.db2.gz MVNAAWMNKRJHKQ-UHFFFAOYSA-N -1 1 298.346 2.830 20 0 CFADMM CSCC(C)(C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000890871646 617927872 /nfs/dbraw/zinc/92/78/72/617927872.db2.gz RGSIRCNYAWDMCR-UHFFFAOYSA-N -1 1 287.812 2.846 20 0 CFADMM Cc1cc(CNCCOC2CCCCC2)oc1C(=O)[O-] ZINC000235822608 618013709 /nfs/dbraw/zinc/01/37/09/618013709.db2.gz JHLUFAGHPJXIRB-UHFFFAOYSA-N -1 1 281.352 2.725 20 0 CFADMM CCc1ccc(O)c(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000901227560 620774222 /nfs/dbraw/zinc/77/42/22/620774222.db2.gz QDGGFDKAZIJWJV-UHFFFAOYSA-N -1 1 299.330 2.580 20 0 CFADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(C)C ZINC000052171677 618139329 /nfs/dbraw/zinc/13/93/29/618139329.db2.gz ZVMSIXVSRAKMHI-UHFFFAOYSA-N -1 1 299.392 2.651 20 0 CFADMM O=C(Cc1c(F)cccc1Cl)[N-]OCc1cccnc1 ZINC000160740738 618148534 /nfs/dbraw/zinc/14/85/34/618148534.db2.gz ZWCIEQSZXBLQBX-UHFFFAOYSA-N -1 1 294.713 2.665 20 0 CFADMM COC(=O)c1c[n-]c(SCc2ccc(Cl)nc2)n1 ZINC000187584061 618149026 /nfs/dbraw/zinc/14/90/26/618149026.db2.gz INSVEZMMANXJLY-UHFFFAOYSA-N -1 1 283.740 2.537 20 0 CFADMM C[C@H](CCO)SCc1cc(=O)oc2cc([O-])ccc12 ZINC000091264279 618176987 /nfs/dbraw/zinc/17/69/87/618176987.db2.gz KDGJEXNWOWJVTO-SECBINFHSA-N -1 1 280.345 2.503 20 0 CFADMM Cc1cc(C)n(CCCC(=O)Nc2c([O-])cccc2F)n1 ZINC000935098412 618183274 /nfs/dbraw/zinc/18/32/74/618183274.db2.gz ATYMCQWXBDSBSK-UHFFFAOYSA-N -1 1 291.326 2.764 20 0 CFADMM COCc1nc(N[C@@H]2CCCc3ccccc32)cc(=O)[n-]1 ZINC000891426433 618194952 /nfs/dbraw/zinc/19/49/52/618194952.db2.gz MJNCNYIEGLVKGS-CYBMUJFWSA-N -1 1 285.347 2.818 20 0 CFADMM CC(C)(COCc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000096561635 618299695 /nfs/dbraw/zinc/29/96/95/618299695.db2.gz NJZDYHKPHWXKPT-UHFFFAOYSA-N -1 1 275.270 2.660 20 0 CFADMM COc1cccc(CC(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000188348817 618301065 /nfs/dbraw/zinc/30/10/65/618301065.db2.gz CGGVDAZMEZUWQX-UHFFFAOYSA-N -1 1 292.722 2.630 20 0 CFADMM Cc1ccc(-c2cc(C(=O)[N-]c3ccon3)on2)cc1 ZINC000179528749 618324461 /nfs/dbraw/zinc/32/44/61/618324461.db2.gz FRIGGTYULMYIPO-UHFFFAOYSA-N -1 1 269.260 2.890 20 0 CFADMM Cc1ccc([C@H](C)NCc2cccc(C(=O)[O-])n2)cc1 ZINC000235518433 618361523 /nfs/dbraw/zinc/36/15/23/618361523.db2.gz ZGQQWNZPYHKGLM-LBPRGKRZSA-N -1 1 270.332 2.939 20 0 CFADMM Cc1cccc(C)c1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000747227425 618472549 /nfs/dbraw/zinc/47/25/49/618472549.db2.gz DTGJICZTPNGQMQ-UHFFFAOYSA-N -1 1 294.376 2.918 20 0 CFADMM Cc1cccc(C)c1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000747227425 618472555 /nfs/dbraw/zinc/47/25/55/618472555.db2.gz DTGJICZTPNGQMQ-UHFFFAOYSA-N -1 1 294.376 2.918 20 0 CFADMM O=C([O-])CC1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000901419454 620813225 /nfs/dbraw/zinc/81/32/25/620813225.db2.gz SKIQNYPKANSZRA-UHFFFAOYSA-N -1 1 299.374 2.763 20 0 CFADMM CCc1oc(CN(CC)C[C@H]2CCCO2)cc1C(=O)[O-] ZINC000901426437 620814980 /nfs/dbraw/zinc/81/49/80/620814980.db2.gz HZAABTSQZCFCHQ-LLVKDONJSA-N -1 1 281.352 2.541 20 0 CFADMM O=C([N-][C@H]1CCO[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000158525749 618623199 /nfs/dbraw/zinc/62/31/99/618623199.db2.gz KVXDUHAHIZTGBM-WDEREUQCSA-N -1 1 273.254 2.585 20 0 CFADMM COCc1nc(N[C@H](C)Cc2ccc(C)s2)cc(=O)[n-]1 ZINC000892615800 618655706 /nfs/dbraw/zinc/65/57/06/618655706.db2.gz GBEJGDWOTXZJTO-SECBINFHSA-N -1 1 293.392 2.742 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H](C(F)(F)F)C1 ZINC000311626191 618717597 /nfs/dbraw/zinc/71/75/97/618717597.db2.gz JWJRWNYWQGLESU-SSDOTTSWSA-N -1 1 277.217 2.556 20 0 CFADMM CO[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)CC[C@@H]1C ZINC000784661093 618787548 /nfs/dbraw/zinc/78/75/48/618787548.db2.gz HXIOPKUGCYSWRV-JOYOIKCWSA-N -1 1 283.755 2.543 20 0 CFADMM CO[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)CC[C@H]1C ZINC000784661081 618787630 /nfs/dbraw/zinc/78/76/30/618787630.db2.gz HXIOPKUGCYSWRV-BXKDBHETSA-N -1 1 283.755 2.543 20 0 CFADMM COCc1nc(N2CC[C@@H](c3cccc(C)c3)C2)cc(=O)[n-]1 ZINC000893142850 618845521 /nfs/dbraw/zinc/84/55/21/618845521.db2.gz UYQBSXXWPBMFJX-CQSZACIVSA-N -1 1 299.374 2.631 20 0 CFADMM Cc1nc(C(=O)[N-]c2nonc2C)c(-c2ccccc2)o1 ZINC000184532489 618916095 /nfs/dbraw/zinc/91/60/95/618916095.db2.gz PSCJVWGCMZCLTR-UHFFFAOYSA-N -1 1 284.275 2.594 20 0 CFADMM Cc1nc(SCc2cscn2)[n-]c(=O)c1C ZINC000776863969 618940490 /nfs/dbraw/zinc/94/04/90/618940490.db2.gz AETUIEJDSVABJD-UHFFFAOYSA-N -1 1 253.352 2.548 20 0 CFADMM CCSCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000195082498 618946001 /nfs/dbraw/zinc/94/60/01/618946001.db2.gz RARPBTCRIAEEOY-UHFFFAOYSA-N -1 1 256.396 2.905 20 0 CFADMM COc1ccccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188355521 619114854 /nfs/dbraw/zinc/11/48/54/619114854.db2.gz PBLUYGJJAAYYET-UHFFFAOYSA-N -1 1 278.695 2.702 20 0 CFADMM COCc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000305860826 619485384 /nfs/dbraw/zinc/48/53/84/619485384.db2.gz PDGOJTMSEJJWBB-UHFFFAOYSA-N -1 1 291.372 2.942 20 0 CFADMM O=C(NCCc1ccco1)c1c([O-])cccc1Cl ZINC000049081969 619511179 /nfs/dbraw/zinc/51/11/79/619511179.db2.gz JHRWVYOKMCXTKE-UHFFFAOYSA-N -1 1 265.696 2.611 20 0 CFADMM COC(C)(C)[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000928597756 619542376 /nfs/dbraw/zinc/54/23/76/619542376.db2.gz FYJKMGVTBOVOFU-QMMMGPOBSA-N -1 1 271.744 2.589 20 0 CFADMM CC(C)CN(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895665542 619581207 /nfs/dbraw/zinc/58/12/07/619581207.db2.gz LKKWKHFBLSPZCR-UHFFFAOYSA-N -1 1 273.332 2.979 20 0 CFADMM CO[C@](C)([C@H](C)NC(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000840510940 619655441 /nfs/dbraw/zinc/65/54/41/619655441.db2.gz QVVAMRHHUVFPHX-BJOHPYRUSA-N -1 1 297.782 2.979 20 0 CFADMM CO[C@@]1(c2nc(-c3ccc([O-])c(F)c3)no2)CCSC1 ZINC000896224261 619694271 /nfs/dbraw/zinc/69/42/71/619694271.db2.gz KKXHOJMINNWGFA-ZDUSSCGKSA-N -1 1 296.323 2.560 20 0 CFADMM COc1cc(-c2nc(C3CSC3)no2)cc(Cl)c1[O-] ZINC000896729837 619798110 /nfs/dbraw/zinc/79/81/10/619798110.db2.gz OMJAMBDBCCAUBL-UHFFFAOYSA-N -1 1 298.751 2.935 20 0 CFADMM CC(C)Cn1ccc(C(=O)Nc2ccc(F)cc2[O-])n1 ZINC000897015056 619913059 /nfs/dbraw/zinc/91/30/59/619913059.db2.gz QHDHDDYKHDABNT-UHFFFAOYSA-N -1 1 277.299 2.636 20 0 CFADMM CC(=O)Nc1ccc([O-])c(-c2nc(CCCCF)no2)c1 ZINC000897207328 619950287 /nfs/dbraw/zinc/95/02/87/619950287.db2.gz BDCCSEKICZAILX-UHFFFAOYSA-N -1 1 293.298 2.693 20 0 CFADMM Cc1noc(C(C)C)c1[N-]C(=O)c1ncn(C(C)(C)C)n1 ZINC000928785289 620009622 /nfs/dbraw/zinc/00/96/22/620009622.db2.gz VUEVKHGCHFWWQJ-UHFFFAOYSA-N -1 1 291.355 2.705 20 0 CFADMM COC(C)(C)CCNC(=O)c1c([O-])cccc1Cl ZINC000871257270 620039087 /nfs/dbraw/zinc/03/90/87/620039087.db2.gz WEXWUPRHRIVCDF-UHFFFAOYSA-N -1 1 271.744 2.591 20 0 CFADMM CCc1[n-]n(-c2cccc(F)c2Cl)c(=O)c1F ZINC000871955683 620075341 /nfs/dbraw/zinc/07/53/41/620075341.db2.gz RIXWWIKLLLIYCH-SNVBAGLBSA-N -1 1 258.655 2.930 20 0 CFADMM COC1(CNc2cc(Cl)[n-]c(=O)n2)CCCCCC1 ZINC000897406558 620105046 /nfs/dbraw/zinc/10/50/46/620105046.db2.gz XSOTWIOGLACWIX-UHFFFAOYSA-N -1 1 285.775 2.987 20 0 CFADMM CCCCC[C@H](C)CC(=O)NCc1n[n-]c(=S)n1C ZINC000080026348 620218970 /nfs/dbraw/zinc/21/89/70/620218970.db2.gz FGIRCHGCWNQJJX-JTQLQIEISA-N -1 1 284.429 2.700 20 0 CFADMM CCCO[N-]C(=O)Cc1sc(CC(F)(F)F)nc1C ZINC000898091277 620331609 /nfs/dbraw/zinc/33/16/09/620331609.db2.gz ZYJXOYBRGUTDAU-UHFFFAOYSA-N -1 1 296.314 2.557 20 0 CFADMM O=C([O-])c1ccc(CN2CCOCC23CCCC3)s1 ZINC000322930957 620394748 /nfs/dbraw/zinc/39/47/48/620394748.db2.gz KIMPDJZTEMJLQR-UHFFFAOYSA-N -1 1 281.377 2.591 20 0 CFADMM O=C([N-]Oc1ccc(F)cc1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000898572344 620478015 /nfs/dbraw/zinc/47/80/15/620478015.db2.gz UPNJSAJWBGKGCM-FOSCPWQOSA-N -1 1 291.322 2.631 20 0 CFADMM CCC[C@@H]1C[C@@H](C(=O)[N-]Oc2ccc(F)cc2)CCO1 ZINC000898572754 620478652 /nfs/dbraw/zinc/47/86/52/620478652.db2.gz BZQVHXBVIYZDRO-SMDDNHRTSA-N -1 1 281.327 2.831 20 0 CFADMM O=C([N-]Oc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000898578689 620480143 /nfs/dbraw/zinc/48/01/43/620480143.db2.gz KZKIXLOEKJQXHM-MVCUKOFQSA-N -1 1 281.352 2.910 20 0 CFADMM Cc1[n-]n(-c2nc3ccccc3n2C)c(=O)c1C(C)C ZINC000899346607 620547284 /nfs/dbraw/zinc/54/72/84/620547284.db2.gz RELSMAPGOYKSAO-ZDUSSCGKSA-N -1 1 270.336 2.568 20 0 CFADMM Cc1c(-c2ccccc2)[n-]n([C@@H]2C[C@@H](C)O[C@@H](C)C2)c1=O ZINC000899359356 620552048 /nfs/dbraw/zinc/55/20/48/620552048.db2.gz ACFAABSKMRDFDH-QVHKTLOISA-N -1 1 286.375 2.825 20 0 CFADMM CCCc1[n-]n([C@@H]2C[C@@H](C)O[C@@H](C)C2)c(=O)c1CC ZINC000899360600 620552202 /nfs/dbraw/zinc/55/22/02/620552202.db2.gz NSLHYCOPBNXKNG-RNJOBUHISA-N -1 1 266.385 2.967 20 0 CFADMM O=c1cc(CC2CC2)[n-]n1-c1ccc(F)c(F)c1 ZINC000899360725 620552276 /nfs/dbraw/zinc/55/22/76/620552276.db2.gz OMVDOHRXXUGDRV-UHFFFAOYSA-N -1 1 250.248 2.858 20 0 CFADMM COc1cnc(C=Cc2ccc3c(c2)C[C@H](C)O3)[n-]c1=O ZINC000899377563 620554645 /nfs/dbraw/zinc/55/46/45/620554645.db2.gz ATAJWEYCWNTXJT-RWCYGVJQSA-N -1 1 284.315 2.685 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000899627936 620587969 /nfs/dbraw/zinc/58/79/69/620587969.db2.gz JKGKGQYLXSDOMV-MFKMUULPSA-N -1 1 295.766 2.687 20 0 CFADMM O=C([O-])c1cccc(CNCc2cnn(C3CCC3)c2)c1 ZINC000900022548 620624177 /nfs/dbraw/zinc/62/41/77/620624177.db2.gz JCIJIQUUMRQEFZ-UHFFFAOYSA-N -1 1 285.347 2.596 20 0 CFADMM Cc1cc(CN[C@H](CC(=O)[O-])c2ccsc2)cnc1F ZINC000900022951 620624583 /nfs/dbraw/zinc/62/45/83/620624583.db2.gz SEQHGDFCXSUYSQ-GFCCVEGCSA-N -1 1 294.351 2.896 20 0 CFADMM Cc1sccc1CN[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC000900070502 620631372 /nfs/dbraw/zinc/63/13/72/620631372.db2.gz LGNDNXBVFPJXIK-LLVKDONJSA-N -1 1 291.376 2.576 20 0 CFADMM C[C@H]1Cc2ccccc2N1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900066486 620634408 /nfs/dbraw/zinc/63/44/08/620634408.db2.gz GCXKTERUPOPSSA-JTQLQIEISA-N -1 1 295.342 2.651 20 0 CFADMM O=C([O-])CC1(NCc2ncc(-c3ccccc3)s2)CC1 ZINC000901476364 620825765 /nfs/dbraw/zinc/82/57/65/620825765.db2.gz DFFRRLOQJQNTSQ-UHFFFAOYSA-N -1 1 288.372 2.907 20 0 CFADMM O=C([O-])CC1(NCc2csc(-c3ccsc3)n2)CC1 ZINC000901478971 620826630 /nfs/dbraw/zinc/82/66/30/620826630.db2.gz YPBVTDZNSHJOCX-UHFFFAOYSA-N -1 1 294.401 2.969 20 0 CFADMM C[C@H](NCc1cn(C)nc1C(=O)[O-])c1cc2ccccc2o1 ZINC000901461282 620829676 /nfs/dbraw/zinc/82/96/76/620829676.db2.gz YVJDYAXWKZTOAG-JTQLQIEISA-N -1 1 299.330 2.715 20 0 CFADMM CC(C)(C)c1ccc(CN2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000901514446 620852917 /nfs/dbraw/zinc/85/29/17/620852917.db2.gz GXYSRKAVALKXQM-MRXNPFEDSA-N -1 1 279.355 2.983 20 0 CFADMM CCc1nc(SC/C=C(\C)COC)[n-]c(=O)c1C ZINC000901563652 620858473 /nfs/dbraw/zinc/85/84/73/620858473.db2.gz QFLJYGCUCBJONZ-RMKNXTFCSA-N -1 1 268.382 2.738 20 0 CFADMM CCO[C@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000901550775 620862008 /nfs/dbraw/zinc/86/20/08/620862008.db2.gz ZBDYEBNVOXNNRH-YFKPBYRVSA-N -1 1 250.270 2.594 20 0 CFADMM CCN(CCC(=O)[O-])Cc1ncc(C(C)(C)C)s1 ZINC000901605372 620872126 /nfs/dbraw/zinc/87/21/26/620872126.db2.gz SNRFIPWDTMZOLM-UHFFFAOYSA-N -1 1 270.398 2.737 20 0 CFADMM C[C@@H](O)[C@@H](C)Sc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901617398 620874360 /nfs/dbraw/zinc/87/43/60/620874360.db2.gz WNLUEFCLJVGCAX-NXEZZACHSA-N -1 1 276.361 2.711 20 0 CFADMM Cc1nc(C2CCN(CC3(F)CC3)CC2)sc1C(=O)[O-] ZINC000901797235 620918601 /nfs/dbraw/zinc/91/86/01/620918601.db2.gz CGGSKMQROAOXJO-UHFFFAOYSA-N -1 1 298.383 2.831 20 0 CFADMM Cc1c[nH]nc1C[N@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000901802458 620919377 /nfs/dbraw/zinc/91/93/77/620919377.db2.gz JSDPHONSWDACGF-UHFFFAOYSA-N -1 1 287.363 2.585 20 0 CFADMM Cc1c[nH]nc1CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000901802458 620919380 /nfs/dbraw/zinc/91/93/80/620919380.db2.gz JSDPHONSWDACGF-UHFFFAOYSA-N -1 1 287.363 2.585 20 0 CFADMM CC(C)C[N@@H+](Cc1ccccc1O)CC(C)(C)C(=O)[O-] ZINC000901840254 620925820 /nfs/dbraw/zinc/92/58/20/620925820.db2.gz FONGBKXXMZOIOK-UHFFFAOYSA-N -1 1 279.380 2.961 20 0 CFADMM CC(C)C[N@H+](Cc1ccccc1[O-])CC(C)(C)C(=O)[O-] ZINC000901840254 620925822 /nfs/dbraw/zinc/92/58/22/620925822.db2.gz FONGBKXXMZOIOK-UHFFFAOYSA-N -1 1 279.380 2.961 20 0 CFADMM CC(C)C[N@@H+](Cc1ccccc1[O-])CC(C)(C)C(=O)[O-] ZINC000901840254 620925825 /nfs/dbraw/zinc/92/58/25/620925825.db2.gz FONGBKXXMZOIOK-UHFFFAOYSA-N -1 1 279.380 2.961 20 0 CFADMM O=C([O-])[C@@]1(F)CN(Cc2ccsc2)CC12CCC2 ZINC000901917212 620935761 /nfs/dbraw/zinc/93/57/61/620935761.db2.gz WQNZQAYERWOAIA-ZDUSSCGKSA-N -1 1 269.341 2.527 20 0 CFADMM 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ZINC000910986768 622495055 /nfs/dbraw/zinc/49/50/55/622495055.db2.gz MXUFZUUBRNYJTM-SECBINFHSA-N -1 1 295.289 2.765 20 0 CFADMM CC[C@H](C)[C@@H](OC)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910986730 622495252 /nfs/dbraw/zinc/49/52/52/622495252.db2.gz ATUUNNIYGSLVFK-JVXZTZIISA-N -1 1 273.279 2.670 20 0 CFADMM CCn1nc(C)c(C(=O)Nc2cc(F)cc(F)c2[O-])c1C ZINC000910984751 622495363 /nfs/dbraw/zinc/49/53/63/622495363.db2.gz VDASVXBCTUJUEJ-UHFFFAOYSA-N -1 1 295.289 2.756 20 0 CFADMM COC[C@@H](C)[C@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910986448 622495628 /nfs/dbraw/zinc/49/56/28/622495628.db2.gz HCRXDDROMHTLAL-SFYZADRCSA-N -1 1 273.279 2.528 20 0 CFADMM CCCCC[C@H](O)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910988417 622496085 /nfs/dbraw/zinc/49/60/85/622496085.db2.gz PLDJQUWNEQGIOK-NSHDSACASA-N -1 1 273.279 2.550 20 0 CFADMM CC(=O)CC1(C(=O)Nc2cc(F)cc(F)c2[O-])CCC1 ZINC000910995211 622496944 /nfs/dbraw/zinc/49/69/44/622496944.db2.gz XBQJFILBVSGYSN-UHFFFAOYSA-N -1 1 283.274 2.758 20 0 CFADMM C[C@H](C(=O)[N-]OCc1ccc(F)cc1)c1cccnc1 ZINC000184138299 625575248 /nfs/dbraw/zinc/57/52/48/625575248.db2.gz DKAQSPHKJWOZAK-NSHDSACASA-N -1 1 274.295 2.572 20 0 CFADMM O=C(c1c([O-])cnc2c(F)cccc21)N1CCC[C@@H](F)C1 ZINC000911925141 622576546 /nfs/dbraw/zinc/57/65/46/622576546.db2.gz DYNSBNYWZRMQFT-SECBINFHSA-N -1 1 292.285 2.654 20 0 CFADMM COc1cccc(S([O-])=CC(=O)OC2CCCCC2)c1 ZINC000819936859 622577424 /nfs/dbraw/zinc/57/74/24/622577424.db2.gz NOGSLVPOVIUYLJ-HXUWFJFHSA-N -1 1 296.388 2.679 20 0 CFADMM COc1ccc2c(c1)C=C(C(=O)[N-]Oc1ccccc1)CO2 ZINC000820048738 622603604 /nfs/dbraw/zinc/60/36/04/622603604.db2.gz FHXTXKFRFSAHLC-UHFFFAOYSA-N -1 1 297.310 2.581 20 0 CFADMM O=C(c1ncccc1[O-])N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000912042143 622616612 /nfs/dbraw/zinc/61/66/12/622616612.db2.gz PGQRIVFITFZKJE-HNNXBMFYSA-N -1 1 295.342 2.550 20 0 CFADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)C2CCC2)c1 ZINC000820190231 622623023 /nfs/dbraw/zinc/62/30/23/622623023.db2.gz UPVILTDDHNXPGW-GIPWTMENSA-N -1 1 296.388 2.535 20 0 CFADMM CC(=CC(=O)Nc1c(C)[n-][nH]c1=O)c1ccc(F)cc1 ZINC000820403204 622663831 /nfs/dbraw/zinc/66/38/31/622663831.db2.gz SDDJRODUMUBVFC-BQYQJAHWSA-N -1 1 275.283 2.605 20 0 CFADMM CC(=Cc1ccc(F)cc1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000820402764 622664097 /nfs/dbraw/zinc/66/40/97/622664097.db2.gz NOJHKUUVINVLET-FPLPWBNLSA-N -1 1 275.283 2.605 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(C(C)(C)C)oc1C ZINC000820407925 622664787 /nfs/dbraw/zinc/66/47/87/622664787.db2.gz SRFPMGXGTGQKKI-UHFFFAOYSA-N -1 1 277.324 2.875 20 0 CFADMM COc1cccc(C=Cc2ncc(OC)c(=O)[n-]2)c1F ZINC000821007008 622818906 /nfs/dbraw/zinc/81/89/06/622818906.db2.gz AAQSIOHSGUAHAK-SREVYHEPSA-N -1 1 276.267 2.509 20 0 CFADMM Cn1cncc1[C@@H]1CCCCN1Cc1cccc(C(=O)[O-])c1 ZINC000821310632 622891637 /nfs/dbraw/zinc/89/16/37/622891637.db2.gz IXRPOKJOGJTHPR-HNNXBMFYSA-N -1 1 299.374 2.846 20 0 CFADMM Cc1c(C(=O)[N-]NC(=O)C(C)C)oc2c1c(C)ccc2C ZINC000056388016 622981461 /nfs/dbraw/zinc/98/14/61/622981461.db2.gz MTMLLADRAKNNCC-UHFFFAOYSA-N -1 1 288.347 2.775 20 0 CFADMM Cc1csc(CCNC(=O)c2c([O-])cccc2Cl)n1 ZINC000057306769 622997731 /nfs/dbraw/zinc/99/77/31/622997731.db2.gz WIQVUBKVUSJKRP-UHFFFAOYSA-N -1 1 296.779 2.783 20 0 CFADMM O=C([N-]C1CC(F)(F)C1)C(F)(F)c1cc(F)cc(F)c1 ZINC000822434705 623102347 /nfs/dbraw/zinc/10/23/47/623102347.db2.gz IDXRKJIKJCZYFI-UHFFFAOYSA-N -1 1 297.198 2.971 20 0 CFADMM O=C([O-])/C=C/c1ccccc1-c1noc([C@H]2CCCCN2)n1 ZINC000822621819 623137902 /nfs/dbraw/zinc/13/79/02/623137902.db2.gz PBZOXWQPKLLPED-MMQHEFTJSA-N -1 1 299.330 2.649 20 0 CFADMM C[C@@H]1CCN[C@H](c2nc(-c3ccc(C(=O)[O-])s3)no2)C1 ZINC000822635347 623140438 /nfs/dbraw/zinc/14/04/38/623140438.db2.gz WZDBTTGOZUAKEV-SFYZADRCSA-N -1 1 293.348 2.557 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccnn1C1CCC1 ZINC000822971445 623212133 /nfs/dbraw/zinc/21/21/33/623212133.db2.gz DNQBHNYGCZYMHK-UHFFFAOYSA-N -1 1 293.273 2.844 20 0 CFADMM O=C(C[C@H]1OC(=O)c2ccccc21)[N-]OCc1ccccc1 ZINC000061509245 623215831 /nfs/dbraw/zinc/21/58/31/623215831.db2.gz VIFZXMCAZZYTAU-OAHLLOKOSA-N -1 1 297.310 2.536 20 0 CFADMM C[C@@H]1CCN[C@@H](c2nc(-c3ccc(O)cc3F)no2)C1 ZINC000823069825 623228200 /nfs/dbraw/zinc/22/82/00/623228200.db2.gz UZPXYLKCSYJCPG-PRHODGIISA-N -1 1 277.299 2.642 20 0 CFADMM O=C([O-])c1cc(CN2CCC3(CCCCC3)CC2)on1 ZINC000061820479 623235963 /nfs/dbraw/zinc/23/59/63/623235963.db2.gz DRBSNELCXSVCTL-UHFFFAOYSA-N -1 1 278.352 2.919 20 0 CFADMM O=c1cc(CSc2ncc[nH]2)c2ccc([O-])cc2o1 ZINC000172932899 623322363 /nfs/dbraw/zinc/32/23/63/623322363.db2.gz OTVUNDKWLKAVIQ-UHFFFAOYSA-N -1 1 274.301 2.514 20 0 CFADMM O=C(c1cncc([O-])c1)N(c1ccccc1)C1CCC1 ZINC000913673975 623555015 /nfs/dbraw/zinc/55/50/15/623555015.db2.gz YRXVRBGOAAKGPT-UHFFFAOYSA-N -1 1 268.316 2.987 20 0 CFADMM COCCO[N-]C(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000760410759 623660284 /nfs/dbraw/zinc/66/02/84/623660284.db2.gz BCPUGLJACSAPLI-ZDUSSCGKSA-N -1 1 279.380 2.683 20 0 CFADMM Cc1cccc(CO[N-]C(=O)C[C@@H]2CCCC2(F)F)n1 ZINC000825573548 623718373 /nfs/dbraw/zinc/71/83/73/623718373.db2.gz QDKXOFHKSXOGLO-NSHDSACASA-N -1 1 284.306 2.763 20 0 CFADMM O=C(c1ncc2ccccc2c1[O-])N1CCC(F)CC1 ZINC000914430057 623793059 /nfs/dbraw/zinc/79/30/59/623793059.db2.gz NLMXYBWHZWEBAR-UHFFFAOYSA-N -1 1 274.295 2.515 20 0 CFADMM Cc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1F ZINC000826299654 623801111 /nfs/dbraw/zinc/80/11/11/623801111.db2.gz OLRJCCRUTRJTML-UHFFFAOYSA-N -1 1 289.339 2.988 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000827139924 623951217 /nfs/dbraw/zinc/95/12/17/623951217.db2.gz UWEYQUMNBNOUNX-ZJUUUORDSA-N -1 1 297.807 2.871 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H]2CSC[C@H]2C1 ZINC000827182587 623961301 /nfs/dbraw/zinc/96/13/01/623961301.db2.gz WQQAGGBVPAIKOS-VHSXEESVSA-N -1 1 297.807 2.871 20 0 CFADMM C[C@@]1(CC[N-]C(=O)C(F)(F)C(F)F)CC1(Cl)Cl ZINC000836919698 624072296 /nfs/dbraw/zinc/07/22/96/624072296.db2.gz QRMYDPQDDFURAT-SSDOTTSWSA-N -1 1 296.091 2.977 20 0 CFADMM COC(=O)[C@H](C)CSC[C@@H](C)C(=O)c1ccc([O-])cc1 ZINC000917061237 624304182 /nfs/dbraw/zinc/30/41/82/624304182.db2.gz DJWWNQZQLDJKNI-GHMZBOCLSA-N -1 1 296.388 2.753 20 0 CFADMM COC(=O)C[C@H](C)SC[C@@H](C)C(=O)c1ccc([O-])cc1 ZINC000917062274 624304497 /nfs/dbraw/zinc/30/44/97/624304497.db2.gz VSFOXGJHZJJCHS-MNOVXSKESA-N -1 1 296.388 2.896 20 0 CFADMM COCCSC[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000917129544 624316631 /nfs/dbraw/zinc/31/66/31/624316631.db2.gz AFGYZHHHDYFTJR-JTQLQIEISA-N -1 1 254.351 2.591 20 0 CFADMM CCc1cc(=O)[n-]c(SCc2cnc(C3CC3)o2)n1 ZINC000917508243 624349791 /nfs/dbraw/zinc/34/97/91/624349791.db2.gz WGEHZBXUUIUFIH-UHFFFAOYSA-N -1 1 277.349 2.902 20 0 CFADMM CCc1cc(=O)[n-]c(SCCCc2cccnc2)n1 ZINC000917507788 624349905 /nfs/dbraw/zinc/34/99/05/624349905.db2.gz LDRDGSVXCIXAAR-UHFFFAOYSA-N -1 1 275.377 2.865 20 0 CFADMM O=C([N-]OCC(F)F)C1(Cc2cccc(Cl)c2)CC1 ZINC000829283495 624411541 /nfs/dbraw/zinc/41/15/41/624411541.db2.gz QKXFJLAMHHTZIL-UHFFFAOYSA-N -1 1 289.709 2.976 20 0 CFADMM O=c1[nH]c2cccc([N-]S(=O)(=O)C3=CCCCC3)c2o1 ZINC000829973448 624591808 /nfs/dbraw/zinc/59/18/08/624591808.db2.gz FIQXIOCMURVFCX-UHFFFAOYSA-N -1 1 294.332 2.733 20 0 CFADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1nc(Cl)ccc1[O-] ZINC000830184628 624661013 /nfs/dbraw/zinc/66/10/13/624661013.db2.gz KOQDDBUGHBBXDO-VGMNWLOBSA-N -1 1 266.728 2.815 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CCCSCC1 ZINC000920452111 624724689 /nfs/dbraw/zinc/72/46/89/624724689.db2.gz NMWJYBZMQQSYPD-UHFFFAOYSA-N -1 1 271.769 2.625 20 0 CFADMM CCOC1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000920460613 624725733 /nfs/dbraw/zinc/72/57/33/624725733.db2.gz NDROQIZVSSBICA-UHFFFAOYSA-N -1 1 283.755 2.687 20 0 CFADMM CC[N@@H+](Cc1cccs1)Cc1cccc(C(=O)[O-])n1 ZINC000233490441 624947904 /nfs/dbraw/zinc/94/79/04/624947904.db2.gz WDZRMELLMOVXGX-UHFFFAOYSA-N -1 1 276.361 2.863 20 0 CFADMM CCN(Cc1cccs1)Cc1cccc(C(=O)[O-])n1 ZINC000233490441 624947907 /nfs/dbraw/zinc/94/79/07/624947907.db2.gz WDZRMELLMOVXGX-UHFFFAOYSA-N -1 1 276.361 2.863 20 0 CFADMM COc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)cc1 ZINC000180250301 625007750 /nfs/dbraw/zinc/00/77/50/625007750.db2.gz REHQAIXYNNUJFQ-UHFFFAOYSA-N -1 1 298.751 2.544 20 0 CFADMM CCC(F)(F)C(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000832115489 625225456 /nfs/dbraw/zinc/22/54/56/625225456.db2.gz UZQHYCGJGSZXLQ-MRVPVSSYSA-N -1 1 277.217 2.560 20 0 CFADMM CC(C)OC1(CNC(=O)c2c([O-])cccc2F)CCC1 ZINC000834579810 625723338 /nfs/dbraw/zinc/72/33/38/625723338.db2.gz BGJBYAIRSRTIQY-UHFFFAOYSA-N -1 1 281.327 2.609 20 0 CFADMM C[C@@H]1C[C@@H](NC(=O)c2ccc([O-])cc2F)CCS1 ZINC000834660394 625763557 /nfs/dbraw/zinc/76/35/57/625763557.db2.gz KLLYZJCEFKTFPW-BDAKNGLRSA-N -1 1 269.341 2.545 20 0 CFADMM CCCNC(=O)c1ccccc1NC(=O)c1ccccc1[O-] ZINC000834715140 625797706 /nfs/dbraw/zinc/79/77/06/625797706.db2.gz VYEMSMJVGAAEEG-UHFFFAOYSA-N -1 1 298.342 2.784 20 0 CFADMM CCC(C)(C)OCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834823350 625882943 /nfs/dbraw/zinc/88/29/43/625882943.db2.gz WJEHHOOSCSYGDJ-UHFFFAOYSA-N -1 1 285.771 2.867 20 0 CFADMM COCCC(C)(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834824913 625884580 /nfs/dbraw/zinc/88/45/80/625884580.db2.gz BQIIKSAAXHMZRT-UHFFFAOYSA-N -1 1 285.771 2.725 20 0 CFADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825288 625885151 /nfs/dbraw/zinc/88/51/51/625885151.db2.gz JNODRQKXBIHAKY-QWRGUYRKSA-N -1 1 267.756 2.954 20 0 CFADMM CC(C)[C@H](C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834829215 625886453 /nfs/dbraw/zinc/88/64/53/625886453.db2.gz OKTMZQBDEMIZGS-VIFPVBQESA-N -1 1 255.745 2.954 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]Cc2c(C)cccc2C)sn1 ZINC000866975124 626024951 /nfs/dbraw/zinc/02/49/51/626024951.db2.gz OKGBPHAOQVQFJN-UHFFFAOYSA-N -1 1 296.417 2.547 20 0 CFADMM Cn1cc(CC[N-]C(=O)C(F)(F)F)c2ccc(F)cc21 ZINC000186578930 626364228 /nfs/dbraw/zinc/36/42/28/626364228.db2.gz YRKIMWRUYPGOFQ-UHFFFAOYSA-N -1 1 288.244 2.538 20 0 CFADMM CC[C@@]1(C(=O)[O-])CCCN([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000923469828 626475402 /nfs/dbraw/zinc/47/54/02/626475402.db2.gz YXZRQPDIEBROFF-ZUZCIYMTSA-N -1 1 293.367 2.585 20 0 CFADMM CO[C@@H]1C[C@H](NC(=O)c2c([O-])cccc2Cl)C12CCC2 ZINC000838117368 626486573 /nfs/dbraw/zinc/48/65/73/626486573.db2.gz LTUWZXUZAYKPTE-NWDGAFQWSA-N -1 1 295.766 2.733 20 0 CFADMM C/C=C(\C)COC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000842849058 626504179 /nfs/dbraw/zinc/50/41/79/626504179.db2.gz OHDXDGPGQBQRLQ-WEVVVXLNSA-N -1 1 296.392 2.655 20 0 CFADMM CCC[C@H](CC(C)C)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000839346998 626534344 /nfs/dbraw/zinc/53/43/44/626534344.db2.gz SEJJZIHICJHDQX-GFCCVEGCSA-N -1 1 288.395 2.743 20 0 CFADMM Cn1c2ccc(C[N-]C(=O)C(F)(F)F)cc2nc1C1CC1 ZINC000839761404 626553702 /nfs/dbraw/zinc/55/37/02/626553702.db2.gz NZLMXXGOURMFMJ-UHFFFAOYSA-N -1 1 297.280 2.629 20 0 CFADMM CCc1cc(=O)[nH]c(C[N@@H+](C)CCc2ccccc2F)n1 ZINC000758715048 626604400 /nfs/dbraw/zinc/60/44/00/626604400.db2.gz FJGGKTMCIRIIMG-UHFFFAOYSA-N -1 1 289.354 2.558 20 0 CFADMM O=C(CCc1ccc(OC(F)F)cc1)[N-]OCC(F)F ZINC000759317436 626644311 /nfs/dbraw/zinc/64/43/11/626644311.db2.gz JCTWHBDLZDJHTB-UHFFFAOYSA-N -1 1 295.232 2.534 20 0 CFADMM CC[C@@H](CC(=O)[N-]OCC(F)F)c1ccc(OC)cc1 ZINC000759339679 626647534 /nfs/dbraw/zinc/64/75/34/626647534.db2.gz ODGLXVOVTRPMAK-JTQLQIEISA-N -1 1 287.306 2.892 20 0 CFADMM O=C([N-][C@H](c1cccnc1)C1CC1)C(F)(F)C(F)F ZINC000760012992 626709102 /nfs/dbraw/zinc/70/91/02/626709102.db2.gz VTRXGMJGEGZVLB-VIFPVBQESA-N -1 1 276.233 2.549 20 0 CFADMM C[C@H](COc1ccccc1)C(=O)[N-]OCc1ccccc1 ZINC000760305366 626732312 /nfs/dbraw/zinc/73/23/12/626732312.db2.gz VJXQULPHZIDDSY-CQSZACIVSA-N -1 1 285.343 2.950 20 0 CFADMM O=C(NC1CC(F)(F)C1)c1c([O-])cccc1Cl ZINC000760657000 626761750 /nfs/dbraw/zinc/76/17/50/626761750.db2.gz WECWZMWTLMADRY-UHFFFAOYSA-N -1 1 261.655 2.573 20 0 CFADMM O=C(CCCc1cc(F)ccc1F)[N-]OCC(F)(F)F ZINC000761948842 626873990 /nfs/dbraw/zinc/87/39/90/626873990.db2.gz KJZBHDUBJZUGCR-UHFFFAOYSA-N -1 1 297.223 2.898 20 0 CFADMM CCOCCN(CC)C(=O)c1c([O-])cccc1Cl ZINC000764186447 627043704 /nfs/dbraw/zinc/04/37/04/627043704.db2.gz GAAPBFQBEQCNMF-UHFFFAOYSA-N -1 1 271.744 2.544 20 0 CFADMM CC[C@@H](C[C@@H](C)CO)NC(=O)c1c([O-])cccc1Cl ZINC000765311262 627130180 /nfs/dbraw/zinc/13/01/80/627130180.db2.gz PLCSIMWFDLZWOH-ZJUUUORDSA-N -1 1 285.771 2.573 20 0 CFADMM C[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)C(C)(C)C1 ZINC000768220369 627327012 /nfs/dbraw/zinc/32/70/12/627327012.db2.gz KHOITNMIXQOPLS-VIFPVBQESA-N -1 1 251.301 2.792 20 0 CFADMM COC[C@@H]1CCCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000768665563 627362519 /nfs/dbraw/zinc/36/25/19/627362519.db2.gz XHRUTDRAGXIWDK-LLVKDONJSA-N -1 1 297.782 2.934 20 0 CFADMM C/C=C(\C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000769283853 627418670 /nfs/dbraw/zinc/41/86/70/627418670.db2.gz ZNXRZYDQUMLTRM-KGVSQERTSA-N -1 1 287.359 2.780 20 0 CFADMM C[C@H](C1CC1)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769688039 627465678 /nfs/dbraw/zinc/46/56/78/627465678.db2.gz CGFWVTFUIXSTSF-MRVPVSSYSA-N -1 1 253.729 2.916 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N(C[C@H]1CCOC1)C1CC1 ZINC000769727205 627470285 /nfs/dbraw/zinc/47/02/85/627470285.db2.gz MHUWBURLQCKZPY-SNVBAGLBSA-N 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C/C(=C/C(=O)Nc1ccc([O-])c(F)c1F)C1CC1 ZINC000837087290 630951757 /nfs/dbraw/zinc/95/17/57/630951757.db2.gz YDVALDHLIVMETP-SREVYHEPSA-N -1 1 253.248 2.965 20 0 CFADMM CCOc1ccc(C[C@@H](C)C[N-]C(=O)C(F)(F)F)cc1 ZINC000837222376 630980753 /nfs/dbraw/zinc/98/07/53/630980753.db2.gz CLKDAZCASWRXND-SNVBAGLBSA-N -1 1 289.297 2.942 20 0 CFADMM CCOc1ccc(C[C@H](C)C[N-]C(=O)C(F)(F)F)cc1 ZINC000837222375 630980838 /nfs/dbraw/zinc/98/08/38/630980838.db2.gz CLKDAZCASWRXND-JTQLQIEISA-N -1 1 289.297 2.942 20 0 CFADMM O=C([N-]C1(C(F)F)CCCC1)C(F)(F)c1nccs1 ZINC000809367644 631218881 /nfs/dbraw/zinc/21/88/81/631218881.db2.gz AZGITPYVMITQBR-UHFFFAOYSA-N -1 1 296.289 2.929 20 0 CFADMM O=C(c1c(F)ccc([O-])c1F)N1CCC(F)(F)CC1 ZINC000809802314 631293442 /nfs/dbraw/zinc/29/34/42/631293442.db2.gz WGVZXHKTYKLNMC-UHFFFAOYSA-N -1 1 277.217 2.542 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])C1SCCCS1 ZINC000841411318 631401072 /nfs/dbraw/zinc/40/10/72/631401072.db2.gz ULPUMBCELUBTSI-UHFFFAOYSA-N -1 1 273.354 2.666 20 0 CFADMM COCCCCN(C)C(=O)c1c([O-])cccc1Cl ZINC000841469703 631411530 /nfs/dbraw/zinc/41/15/30/631411530.db2.gz YCXIDEGYPHHZSE-UHFFFAOYSA-N -1 1 271.744 2.544 20 0 CFADMM Cc1cccc(NC(=O)[C@H](C)O[N-]C(=O)CC(C)(C)C)c1 ZINC000842060632 631519140 /nfs/dbraw/zinc/51/91/40/631519140.db2.gz OTONBTXZFWUKAS-LBPRGKRZSA-N -1 1 292.379 2.806 20 0 CFADMM O=C(NOC/C=C\Cl)c1ccc2ccccc2c1[O-] ZINC000812409341 631707128 /nfs/dbraw/zinc/70/71/28/631707128.db2.gz YCLFTTSPYHUTCW-BAQGIRSFSA-N -1 1 277.707 2.959 20 0 CFADMM C[C@@H]1CCc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)F ZINC000155526032 650023800 /nfs/dbraw/zinc/02/38/00/650023800.db2.gz WDDZEDLBFKRCER-LDYMZIIASA-N -1 1 257.255 2.989 20 0 CFADMM CC(C)OCCONC(=O)c1cc2ccccc2cc1[O-] ZINC000812806575 631786496 /nfs/dbraw/zinc/78/64/96/631786496.db2.gz JHHZJPFVMKHVMC-UHFFFAOYSA-N -1 1 289.331 2.632 20 0 CFADMM CCCN[C@H](C)c1nc(-c2ccc(C(=O)[O-])s2)no1 ZINC000843169528 631876161 /nfs/dbraw/zinc/87/61/61/631876161.db2.gz MKXASTXTPMAGJC-SSDOTTSWSA-N -1 1 281.337 2.557 20 0 CFADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)CC2(CCC2)O1 ZINC000844100747 632118966 /nfs/dbraw/zinc/11/89/66/632118966.db2.gz LJMCHERDXUROBO-SNVBAGLBSA-N -1 1 295.766 2.829 20 0 CFADMM CC[C@H](C)CO[N-]C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000816974454 632540147 /nfs/dbraw/zinc/54/01/47/632540147.db2.gz CKYKEAPUYGLGSA-NSHDSACASA-N -1 1 288.347 2.577 20 0 CFADMM O=C(Nc1ccc(OC(F)F)cn1)c1ccc([O-])c(F)c1 ZINC000817063638 632551119 /nfs/dbraw/zinc/55/11/19/632551119.db2.gz ABPPFYCLVADMFF-UHFFFAOYSA-N -1 1 298.220 2.780 20 0 CFADMM CC[C@H](COC(=O)c1ccc(C(=O)OC)[n-]1)CC(F)F ZINC000845757784 632554050 /nfs/dbraw/zinc/55/40/50/632554050.db2.gz YCOJEONSYHJUTA-QMMMGPOBSA-N -1 1 289.278 2.640 20 0 CFADMM C[C@@H](C(=O)[N-]OC[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000845996237 632609732 /nfs/dbraw/zinc/60/97/32/632609732.db2.gz NGIFQWICKNNPHY-MNOVXSKESA-N -1 1 283.755 2.528 20 0 CFADMM C/C(=C\CN(C)Cc1cc(C)ccc1F)C(=O)[O-] ZINC000846258540 632675363 /nfs/dbraw/zinc/67/53/63/632675363.db2.gz RHWMTFDDIWZKTI-IZZDOVSWSA-N -1 1 251.301 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290.269 2.997 20 0 CFADMM COC(=O)c1cnc(OC)c(-c2cc(F)cc(F)c2[O-])c1 ZINC001243506186 782241955 /nfs/dbraw/zinc/24/19/55/782241955.db2.gz ZOSHEQKEMIVMTI-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM O=c1ccc(-c2cc(F)cc(F)c2[O-])nn1C1CCC1 ZINC001243505969 782242505 /nfs/dbraw/zinc/24/25/05/782242505.db2.gz XUJRRUQBEZJRTF-UHFFFAOYSA-N -1 1 278.258 2.619 20 0 CFADMM CON(C)C(=O)c1cccc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243506527 782243019 /nfs/dbraw/zinc/24/30/19/782243019.db2.gz XOFYBXQEPWBGOA-UHFFFAOYSA-N -1 1 293.269 2.971 20 0 CFADMM CN(C)C(=O)c1cc(-c2cc(F)cc(F)c2[O-])cnc1F ZINC001243506654 782243847 /nfs/dbraw/zinc/24/38/47/782243847.db2.gz HMGYYJIMRCUEJD-UHFFFAOYSA-N -1 1 296.248 2.573 20 0 CFADMM O=C([O-])c1ccc(-c2cccc3cncn32)c(F)c1F ZINC001243516614 782250122 /nfs/dbraw/zinc/25/01/22/782250122.db2.gz WJXSSHWPMQJLPM-UHFFFAOYSA-N -1 1 274.226 2.978 20 0 CFADMM Cc1cnc(-c2cccc([O-])c2F)nc1N1CCCC1 ZINC001243540807 782262969 /nfs/dbraw/zinc/26/29/69/782262969.db2.gz BRRZUHOTTDQTJD-UHFFFAOYSA-N -1 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ZINC001241122049 780650616 /nfs/dbraw/zinc/65/06/16/780650616.db2.gz KDLSNDPJBHCDBY-UHFFFAOYSA-N -1 1 277.226 2.971 20 0 CFADMM COc1cc2nccn2cc1-c1c(F)cc([O-])cc1F ZINC001241121908 780650658 /nfs/dbraw/zinc/65/06/58/780650658.db2.gz SDBFETXQVCOQBJ-UHFFFAOYSA-N -1 1 276.242 2.994 20 0 CFADMM Cc1nc2ccc(-c3c(F)cc([O-])cc3F)cn2n1 ZINC001241121992 780650806 /nfs/dbraw/zinc/65/08/06/780650806.db2.gz HQNKPQAUABHHBV-UHFFFAOYSA-N -1 1 261.231 2.689 20 0 CFADMM CSc1ncc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241121733 780651104 /nfs/dbraw/zinc/65/11/04/780651104.db2.gz DXXCWEOKFSZVKA-UHFFFAOYSA-N -1 1 254.261 2.849 20 0 CFADMM COC(=O)c1ncc(F)cc1-c1c(F)cc([O-])cc1F ZINC001241122216 780651311 /nfs/dbraw/zinc/65/13/11/780651311.db2.gz XHWXIRKPKLXRSV-UHFFFAOYSA-N -1 1 283.205 2.658 20 0 CFADMM CC(=O)Nc1ncc(C)cc1-c1c(F)cc([O-])cc1F ZINC001241125164 780652246 /nfs/dbraw/zinc/65/22/46/780652246.db2.gz TTXACGDCGBVWDT-UHFFFAOYSA-N -1 1 278.258 2.999 20 0 CFADMM COc1cc(C)c(-c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC001241135761 780661160 /nfs/dbraw/zinc/66/11/60/780661160.db2.gz DXNMSJTUCAXRPR-UHFFFAOYSA-N -1 1 281.319 2.554 20 0 CFADMM COc1cc(C)c(-c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC001241135761 780661166 /nfs/dbraw/zinc/66/11/66/780661166.db2.gz DXNMSJTUCAXRPR-UHFFFAOYSA-N -1 1 281.319 2.554 20 0 CFADMM O=C(N[C@H]1C=CCC1)c1cc(Br)ccc1[O-] ZINC000700618005 780709748 /nfs/dbraw/zinc/70/97/48/780709748.db2.gz BWDLGFUIIDIRHA-VIFPVBQESA-N -1 1 282.137 2.603 20 0 CFADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2ncc(C(C)C)o2)C1 ZINC000700776797 780722845 /nfs/dbraw/zinc/72/28/45/780722845.db2.gz YBBSINSHTMLRGA-OAHLLOKOSA-N -1 1 280.368 2.875 20 0 CFADMM CCOc1ccc(-c2nc(C)cc3c2C(=O)[N-]C3=O)c(C)c1 ZINC001241270558 780747904 /nfs/dbraw/zinc/74/79/04/780747904.db2.gz UBJNVKJLPIWDMC-UHFFFAOYSA-N -1 1 296.326 2.648 20 0 CFADMM COC(=O)c1cnc(-c2c(F)ccc([O-])c2F)c(OC)c1 ZINC001241290667 780759137 /nfs/dbraw/zinc/75/91/37/780759137.db2.gz AHQBAZYDXCGDFB-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM COC(=O)c1ccc(-c2c(F)ccc([O-])c2F)nc1F ZINC001241289611 780759913 /nfs/dbraw/zinc/75/99/13/780759913.db2.gz WLJJCGDFFQMXRW-UHFFFAOYSA-N -1 1 283.205 2.658 20 0 CFADMM [O-]c1ccc(F)c(-c2nccnc2OC(F)F)c1F ZINC001241291049 780761434 /nfs/dbraw/zinc/76/14/34/780761434.db2.gz HXXHIJRPATVPCX-UHFFFAOYSA-N -1 1 274.173 2.729 20 0 CFADMM COCc1cc(-c2c(F)ccc([O-])c2F)nc(SC)n1 ZINC001241291482 780761927 /nfs/dbraw/zinc/76/19/27/780761927.db2.gz MOHLSZKBFMGRHW-UHFFFAOYSA-N -1 1 298.314 2.996 20 0 CFADMM Cc1cc2c(ncnc2-c2c(F)ccc([O-])c2F)[nH]1 ZINC001241291223 780762047 /nfs/dbraw/zinc/76/20/47/780762047.db2.gz KCMOMFITFJLIGF-UHFFFAOYSA-N -1 1 261.231 2.917 20 0 CFADMM COC(=O)c1nc(-c2c(F)ccc([O-])c2F)ccc1OC ZINC001241292846 780762566 /nfs/dbraw/zinc/76/25/66/780762566.db2.gz KHUATOPSFLRKEH-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM O=c1cnc(-c2c(F)ccc([O-])c2F)cn1C1CCC1 ZINC001241294466 780765144 /nfs/dbraw/zinc/76/51/44/780765144.db2.gz XYGMNZWLCSHVJQ-UHFFFAOYSA-N -1 1 278.258 2.619 20 0 CFADMM O=C([O-])c1ccc(-c2nccc3[nH]cnc32)cc1Cl ZINC001241344100 780799139 /nfs/dbraw/zinc/79/91/39/780799139.db2.gz MXGPOMQEKKGXIL-UHFFFAOYSA-N -1 1 273.679 2.977 20 0 CFADMM O=C([O-])c1ccc(-c2cc3[nH]cnc3cn2)cc1Cl ZINC001241345132 780800350 /nfs/dbraw/zinc/80/03/50/780800350.db2.gz DLSZMMWMOLNULY-UHFFFAOYSA-N -1 1 273.679 2.977 20 0 CFADMM Cc1ccc(C[N@@H+](C)Cc2ccco2)cc1C(=O)[O-] ZINC000701839467 780843693 /nfs/dbraw/zinc/84/36/93/780843693.db2.gz LBULXDQCCLHRLV-UHFFFAOYSA-N -1 1 259.305 2.918 20 0 CFADMM Cc1ccc(CN(C)Cc2ccco2)cc1C(=O)[O-] ZINC000701839467 780843694 /nfs/dbraw/zinc/84/36/94/780843694.db2.gz LBULXDQCCLHRLV-UHFFFAOYSA-N -1 1 259.305 2.918 20 0 CFADMM O=C1Cc2cc(-c3ccc4ncccc4c3)ccc2C(=O)[N-]1 ZINC001241401746 780852402 /nfs/dbraw/zinc/85/24/02/780852402.db2.gz RPVOYFANYVPYHO-UHFFFAOYSA-N -1 1 288.306 2.714 20 0 CFADMM COC(=O)c1nc2cc(-c3cccc(CO)c3)ccc2[n-]1 ZINC001241509479 780949809 /nfs/dbraw/zinc/94/98/09/780949809.db2.gz JDUHQWGEYZRNPY-UHFFFAOYSA-N -1 1 282.299 2.509 20 0 CFADMM COC(=O)c1nc2ccc(-c3cccc(CO)c3)cc2[n-]1 ZINC001241509479 780949811 /nfs/dbraw/zinc/94/98/11/780949811.db2.gz JDUHQWGEYZRNPY-UHFFFAOYSA-N -1 1 282.299 2.509 20 0 CFADMM CCC(F)(F)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000704724159 781111450 /nfs/dbraw/zinc/11/14/50/781111450.db2.gz NWUTZUWPNIOWML-SNVBAGLBSA-N -1 1 263.328 2.855 20 0 CFADMM CN(C)Cc1cccc(-c2cncc(C(=O)[O-])c2)c1F ZINC001241801520 781132520 /nfs/dbraw/zinc/13/25/20/781132520.db2.gz GZBVIAADFUIRJK-UHFFFAOYSA-N -1 1 274.295 2.648 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3cnccc3OC)cc2[n-]1 ZINC001242060725 781254117 /nfs/dbraw/zinc/25/41/17/781254117.db2.gz RSYVJMFPPRGRGQ-UHFFFAOYSA-N -1 1 297.314 2.810 20 0 CFADMM CCOC(=O)c1nc2cc(-c3cnccc3OC)ccc2[n-]1 ZINC001242060725 781254121 /nfs/dbraw/zinc/25/41/21/781254121.db2.gz RSYVJMFPPRGRGQ-UHFFFAOYSA-N -1 1 297.314 2.810 20 0 CFADMM NC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2[O-])nc1 ZINC001242131403 781294463 /nfs/dbraw/zinc/29/44/63/781294463.db2.gz JGEHLKBXPOSPGC-UHFFFAOYSA-N -1 1 282.221 2.572 20 0 CFADMM COC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2[O-])nn1 ZINC001242126798 781294908 /nfs/dbraw/zinc/29/49/08/781294908.db2.gz QZXIPNFYEZVZKU-UHFFFAOYSA-N -1 1 298.220 2.655 20 0 CFADMM Cc1cc(C(N)=O)cc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242157875 781307250 /nfs/dbraw/zinc/30/72/50/781307250.db2.gz OJPLICGLYPJYRJ-UHFFFAOYSA-N -1 1 296.248 2.880 20 0 CFADMM COCOc1cnc(F)cc1-c1ccc(F)cc1[O-] ZINC001242218224 781333442 /nfs/dbraw/zinc/33/34/42/781333442.db2.gz YDSZSMWDXLIVAR-UHFFFAOYSA-N -1 1 267.231 2.715 20 0 CFADMM CCOC(=O)c1ccc(-c2ccc(F)cc2[O-])cn1 ZINC001242220527 781335276 /nfs/dbraw/zinc/33/52/76/781335276.db2.gz CHIZHOZNOZJVRK-UHFFFAOYSA-N -1 1 261.252 2.770 20 0 CFADMM O=c1c(-c2cccc(F)c2[O-])cccn1-c1ccccn1 ZINC001242353852 781428365 /nfs/dbraw/zinc/42/83/65/781428365.db2.gz ROKPKIGDNLSUCE-UHFFFAOYSA-N -1 1 282.274 2.744 20 0 CFADMM O=C1Cc2cc(-c3cccc(Cl)c3[O-])ccc2C(=O)N1 ZINC001242368022 781440246 /nfs/dbraw/zinc/44/02/46/781440246.db2.gz UAQSYBWCWGVZOA-UHFFFAOYSA-N -1 1 287.702 2.525 20 0 CFADMM CC1(C)CN(Cc2cc(C(=O)[O-])cs2)CC(C)(C)O1 ZINC000711464271 781440634 /nfs/dbraw/zinc/44/06/34/781440634.db2.gz AMGAIKYELJYORU-UHFFFAOYSA-N -1 1 283.393 2.836 20 0 CFADMM Cc1ncc(-c2cccc(Cl)c2[O-])cc1C(N)=O ZINC001242367962 781440779 /nfs/dbraw/zinc/44/07/79/781440779.db2.gz ULCAIFIQOKIQOI-UHFFFAOYSA-N -1 1 262.696 2.515 20 0 CFADMM COc1ccc(C(=O)[O-])cc1-c1ccc2cncn2c1 ZINC001242390489 781459265 /nfs/dbraw/zinc/45/92/65/781459265.db2.gz PGIUPFLPZNTYON-UHFFFAOYSA-N -1 1 268.272 2.708 20 0 CFADMM COc1ccc(C(=O)[O-])cc1-c1cncc2[nH]c(C)nc21 ZINC001242392162 781461940 /nfs/dbraw/zinc/46/19/40/781461940.db2.gz MTHYZWXDRPQLLR-UHFFFAOYSA-N -1 1 283.287 2.640 20 0 CFADMM COc1ccc(C(=O)[O-])cc1-c1c[nH]cc2nc(C)nc1-2 ZINC001242392162 781461946 /nfs/dbraw/zinc/46/19/46/781461946.db2.gz MTHYZWXDRPQLLR-UHFFFAOYSA-N -1 1 283.287 2.640 20 0 CFADMM COC(=O)c1cc(-c2cccc([O-])c2Cl)ccn1 ZINC001242799688 781765429 /nfs/dbraw/zinc/76/54/29/781765429.db2.gz YBVOPUSXPOTNEL-UHFFFAOYSA-N -1 1 263.680 2.894 20 0 CFADMM O=C1CCc2cc(-c3cccc([O-])c3Cl)cnc2N1 ZINC001242799880 781765852 /nfs/dbraw/zinc/76/58/52/781765852.db2.gz HADQGAYWOHURFR-UHFFFAOYSA-N -1 1 274.707 2.992 20 0 CFADMM COC(=O)c1cnc(OC)c(-c2cccc([O-])c2Cl)c1 ZINC001242800233 781766190 /nfs/dbraw/zinc/76/61/90/781766190.db2.gz FNPHGUOYYFUMEH-UHFFFAOYSA-N -1 1 293.706 2.903 20 0 CFADMM O=C1Cc2c(cncc2-c2cccc([O-])c2Cl)N1 ZINC001242802983 781766918 /nfs/dbraw/zinc/76/69/18/781766918.db2.gz UOOPIARLFPYLBR-UHFFFAOYSA-N -1 1 260.680 2.602 20 0 CFADMM Cc1cc(-c2cccc([O-])c2Cl)nc2c1nnn2C ZINC001242801556 781767076 /nfs/dbraw/zinc/76/70/76/781767076.db2.gz SZBQBIZFGXDOGZ-UHFFFAOYSA-N -1 1 274.711 2.698 20 0 CFADMM COc1ncnc(C)c1-c1cccc([O-])c1Cl ZINC001242801312 781767813 /nfs/dbraw/zinc/76/78/13/781767813.db2.gz XYFVBJHEDOSLTP-UHFFFAOYSA-N -1 1 250.685 2.820 20 0 CFADMM COc1c(O[C@H](C)c2cccs2)nc(C)[n-]c1=O ZINC001230019241 781841260 /nfs/dbraw/zinc/84/12/60/781841260.db2.gz IFJOHZKPFVHJJB-SSDOTTSWSA-N -1 1 266.322 2.701 20 0 CFADMM COc1c(C(=O)[O-])cccc1-c1ccc(CN(C)C)cn1 ZINC001242922126 781843194 /nfs/dbraw/zinc/84/31/94/781843194.db2.gz WQZSHAPDYFMKBQ-UHFFFAOYSA-N -1 1 286.331 2.517 20 0 CFADMM COc1c(O[C@@H]2CC[C@@H](C)[C@@H](C)C2)nc(C)[n-]c1=O ZINC001230022908 781843528 /nfs/dbraw/zinc/84/35/28/781843528.db2.gz XJMGUFIYTMQRHG-WCABBAIRSA-N -1 1 266.341 2.703 20 0 CFADMM CSc1ccccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001242945025 781861985 /nfs/dbraw/zinc/86/19/85/781861985.db2.gz HLGSHEIORVJQCU-UHFFFAOYSA-N -1 1 269.333 2.651 20 0 CFADMM CSc1ccccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001242945025 781861994 /nfs/dbraw/zinc/86/19/94/781861994.db2.gz HLGSHEIORVJQCU-UHFFFAOYSA-N -1 1 269.333 2.651 20 0 CFADMM COCc1cncc(-c2ccc3[n-]c(C(=O)OC)nc3c2)c1 ZINC001242955108 781872087 /nfs/dbraw/zinc/87/20/87/781872087.db2.gz HMPYZVAPLAVGPA-UHFFFAOYSA-N -1 1 297.314 2.558 20 0 CFADMM COCc1cncc(-c2ccc3nc(C(=O)OC)[n-]c3c2)c1 ZINC001242955108 781872092 /nfs/dbraw/zinc/87/20/92/781872092.db2.gz HMPYZVAPLAVGPA-UHFFFAOYSA-N -1 1 297.314 2.558 20 0 CFADMM CC(C)OC(=O)C[C@H](N=c1nc(C2CC2)[n-]s1)C(C)C ZINC000594600155 349457037 /nfs/dbraw/zinc/45/70/37/349457037.db2.gz FUWZROUOMIHWGQ-NSHDSACASA-N -1 1 297.424 2.616 20 0 CFADMM CCOC(=O)[C@H](C)CCc1nc(=O)c2sc(C)cc2[n-]1 ZINC000594659148 349470314 /nfs/dbraw/zinc/47/03/14/349470314.db2.gz CIEICKKHVJULCP-MRVPVSSYSA-N -1 1 294.376 2.837 20 0 CFADMM O=C([O-])[C@H]1CCCN1Cc1cc(Cl)ccc1F ZINC000082567670 178098368 /nfs/dbraw/zinc/09/83/68/178098368.db2.gz PRUJARFCGANSEX-LLVKDONJSA-N -1 1 257.692 2.528 20 0 CFADMM C[C@H](C(=O)[O-])N1CCc2c(cccc2C(F)(F)F)C1 ZINC000082791467 178296926 /nfs/dbraw/zinc/29/69/26/178296926.db2.gz CTQQKYJQPQFYAU-MRVPVSSYSA-N -1 1 273.254 2.537 20 0 CFADMM O=S(=O)([N-]c1cccc(F)c1)c1ccc2c(c1)COC2 ZINC000068074835 346834062 /nfs/dbraw/zinc/83/40/62/346834062.db2.gz DHEPLRGMCPUEBY-UHFFFAOYSA-N -1 1 293.319 2.657 20 0 CFADMM CCc1cc(NC(=O)c2ccc(CC)cc2[O-])n(C)n1 ZINC000191673971 529552335 /nfs/dbraw/zinc/55/23/35/529552335.db2.gz KDVOUXDZCCTAPT-UHFFFAOYSA-N -1 1 273.336 2.503 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c(C)c1 ZINC000126154947 187220917 /nfs/dbraw/zinc/22/09/17/187220917.db2.gz HHXPSDBVRICJKW-UHFFFAOYSA-N -1 1 293.392 2.951 20 0 CFADMM CCc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000192660402 529687204 /nfs/dbraw/zinc/68/72/04/529687204.db2.gz SBLIYYSXSVUMNV-UHFFFAOYSA-N -1 1 257.289 2.913 20 0 CFADMM Cc1ccc(OCCNC(=O)c2c([O-])cccc2F)cc1 ZINC000163536894 232258243 /nfs/dbraw/zinc/25/82/43/232258243.db2.gz OYPMBOWVQCGRMP-UHFFFAOYSA-N -1 1 289.306 2.649 20 0 CFADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccsc3)ccc2O1 ZINC000174734408 232299492 /nfs/dbraw/zinc/29/94/92/232299492.db2.gz NJKIQJKETVZVQP-VIFPVBQESA-N -1 1 295.385 2.872 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1O ZINC000174739676 232299585 /nfs/dbraw/zinc/29/95/85/232299585.db2.gz UXVLFGBFCPXLOG-UHFFFAOYSA-N -1 1 295.335 2.949 20 0 CFADMM CCSc1nnc(NC(=O)c2ccccc2[O-])s1 ZINC000021280376 346245503 /nfs/dbraw/zinc/24/55/03/346245503.db2.gz YFVDWSCBNJXJRK-UHFFFAOYSA-N -1 1 281.362 2.608 20 0 CFADMM CCc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000036714194 346323611 /nfs/dbraw/zinc/32/36/11/346323611.db2.gz AFKSDVLXKQPUBL-UHFFFAOYSA-N -1 1 284.241 2.638 20 0 CFADMM CN(Cc1ccc(C(=O)[O-])cc1F)C[C@@H]1CCCCO1 ZINC000062753721 346691643 /nfs/dbraw/zinc/69/16/43/346691643.db2.gz HLYNQEQVIALDON-ZDUSSCGKSA-N -1 1 281.327 2.525 20 0 CFADMM CCCCCc1nnc([N-]C(=O)c2ocnc2C)s1 ZINC000081582241 347428211 /nfs/dbraw/zinc/42/82/11/347428211.db2.gz AGFKHGBWUWIWRK-UHFFFAOYSA-N -1 1 280.353 2.820 20 0 CFADMM COC[C@H]([N-]c1nc(C(C)C)no1)c1ccccc1 ZINC000091981815 347605152 /nfs/dbraw/zinc/60/51/52/347605152.db2.gz YPXQHXYCMMJUHF-LBPRGKRZSA-N -1 1 261.325 2.993 20 0 CFADMM O=S(=O)(CCC1CC1)[N-]c1cc(Cl)ccc1O ZINC000092276114 347615450 /nfs/dbraw/zinc/61/54/50/347615450.db2.gz ULAVEEWJVUFHED-UHFFFAOYSA-N -1 1 275.757 2.587 20 0 CFADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(F)ccc1[O-] ZINC000128599544 187380001 /nfs/dbraw/zinc/38/00/01/187380001.db2.gz NXIPTLYFEALBDP-NXEZZACHSA-N -1 1 251.301 2.934 20 0 CFADMM CC(C)N(Cc1cccnc1)C(=O)c1cc(F)ccc1[O-] ZINC000094020606 347690033 /nfs/dbraw/zinc/69/00/33/347690033.db2.gz ILEOMXGFZYHWMV-UHFFFAOYSA-N -1 1 288.322 2.977 20 0 CFADMM Clc1ccc(Cl)c(SCc2nn[n-]n2)c1 ZINC000095219513 347697582 /nfs/dbraw/zinc/69/75/82/347697582.db2.gz FUWYJUACKCYSFN-UHFFFAOYSA-N -1 1 261.137 2.799 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N(CCCCO)C1CC1 ZINC000093244337 347666388 /nfs/dbraw/zinc/66/63/88/347666388.db2.gz KUJINTOHELLCJY-UHFFFAOYSA-N -1 1 299.370 2.923 20 0 CFADMM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2ccccc2F)C1 ZINC000111241965 347752296 /nfs/dbraw/zinc/75/22/96/347752296.db2.gz RWBVOOGSHIUZAJ-LBPRGKRZSA-N -1 1 291.244 2.665 20 0 CFADMM O=C([O-])CN(Cc1cc(F)ccc1Cl)C1CC1 ZINC000124450022 347824347 /nfs/dbraw/zinc/82/43/47/347824347.db2.gz WDYIGFMVKONLQV-UHFFFAOYSA-N -1 1 257.692 2.528 20 0 CFADMM CC[C@H](NC(=O)c1cncc([O-])c1)c1ccc(F)cc1F ZINC000132102707 347882767 /nfs/dbraw/zinc/88/27/67/347882767.db2.gz ZFHJUGLXPDMLGM-AWEZNQCLSA-N -1 1 292.285 2.947 20 0 CFADMM COc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)c([O-])c1 ZINC000134495732 347898712 /nfs/dbraw/zinc/89/87/12/347898712.db2.gz WAGNZFMJJLGDFW-UHFFFAOYSA-N -1 1 289.335 2.674 20 0 CFADMM CCCc1n[n-]c(=S)n1CC(=O)Nc1ccccc1C ZINC000138253231 347915632 /nfs/dbraw/zinc/91/56/32/347915632.db2.gz SLERIVLGOFHADX-UHFFFAOYSA-N -1 1 290.392 2.840 20 0 CFADMM CC[C@H](CSC)[N@@H+](C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000167730153 348046096 /nfs/dbraw/zinc/04/60/96/348046096.db2.gz SPDVZZFTCNCROA-SNVBAGLBSA-N -1 1 271.382 2.860 20 0 CFADMM O=C([O-])CC[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000212836989 348160076 /nfs/dbraw/zinc/16/00/76/348160076.db2.gz PYRJLYRHJPGTPZ-NSHDSACASA-N -1 1 283.755 2.658 20 0 CFADMM CC(C)c1cc(NC(=O)c2ccc([O-])cc2F)n[nH]1 ZINC000226269231 348182773 /nfs/dbraw/zinc/18/27/73/348182773.db2.gz JGKJXDDUJVRXBP-UHFFFAOYSA-N -1 1 263.272 2.630 20 0 CFADMM CCC(C)(C)C(=O)CSc1ncc(C)c(=O)[n-]1 ZINC000310422666 348409471 /nfs/dbraw/zinc/40/94/71/348409471.db2.gz QXEWBJKVFGWSRO-UHFFFAOYSA-N -1 1 254.355 2.588 20 0 CFADMM CCOC(=O)CCCCCSc1ncc(C)c(=O)[n-]1 ZINC000311914057 348415400 /nfs/dbraw/zinc/41/54/00/348415400.db2.gz CXYHBOSQIIFTJX-UHFFFAOYSA-N -1 1 284.381 2.706 20 0 CFADMM C[C@H]1C[N@H+](Cc2cccc([O-])c2Cl)CC[C@H]1C(=O)[O-] ZINC000381067152 348526406 /nfs/dbraw/zinc/52/64/06/348526406.db2.gz PGZBNOMBXLGTFN-GXSJLCMTSA-N -1 1 283.755 2.588 20 0 CFADMM C[C@H]1C[N@@H+](Cc2cccc([O-])c2Cl)CC[C@H]1C(=O)[O-] ZINC000381067152 348526407 /nfs/dbraw/zinc/52/64/07/348526407.db2.gz PGZBNOMBXLGTFN-GXSJLCMTSA-N -1 1 283.755 2.588 20 0 CFADMM CO[C@H](C)c1nc(=NC[C@@H]2CC3CCC2CC3)s[n-]1 ZINC000400110025 348572168 /nfs/dbraw/zinc/57/21/68/348572168.db2.gz JQESUFSCJCOWNH-YYJSSNLHSA-N -1 1 281.425 2.906 20 0 CFADMM CO[C@@](C)([C@H](C)N=c1nc(C(F)(F)F)[n-]s1)C1CC1 ZINC000413509278 233086820 /nfs/dbraw/zinc/08/68/20/233086820.db2.gz DPPFLFDCMXDXLY-WKEGUHRASA-N -1 1 295.330 2.594 20 0 CFADMM O=S(=O)(CCC1CC1)[N-]c1c[nH]nc1-c1ccccc1 ZINC000273972737 192384771 /nfs/dbraw/zinc/38/47/71/192384771.db2.gz RWBFEKUKOBFHNU-UHFFFAOYSA-N -1 1 291.376 2.619 20 0 CFADMM C[C@H](C1CC1)N(C(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000271208565 191001351 /nfs/dbraw/zinc/00/13/51/191001351.db2.gz CNWIWIAENXIXJC-SECBINFHSA-N -1 1 263.312 2.934 20 0 CFADMM CC(C)(CNC(=O)c1c([O-])cccc1F)c1ccncc1 ZINC000131164607 539753824 /nfs/dbraw/zinc/75/38/24/539753824.db2.gz JVDUIYUQYIGMQI-UHFFFAOYSA-N -1 1 288.322 2.634 20 0 CFADMM Cc1ccncc1CN(C)Cc1cccc(C(=O)[O-])c1 ZINC000414634941 233309170 /nfs/dbraw/zinc/30/91/70/233309170.db2.gz FGASNILYYXJTOM-UHFFFAOYSA-N -1 1 270.332 2.720 20 0 CFADMM Cc1ccc(O)c(CN[C@@H]2CCc3c2cccc3O)n1 ZINC000105486396 186061279 /nfs/dbraw/zinc/06/12/79/186061279.db2.gz YAIUHRWRBPGFDZ-CYBMUJFWSA-N -1 1 270.332 2.578 20 0 CFADMM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)nc1 ZINC000132738824 539788595 /nfs/dbraw/zinc/78/85/95/539788595.db2.gz SMTNIFPTJDHDAS-UHFFFAOYSA-N -1 1 270.332 2.720 20 0 CFADMM CCCC[C@@H](C(=O)Nc1[nH]cnc1C(=O)OC)C(C)C ZINC000598845087 350338890 /nfs/dbraw/zinc/33/88/90/350338890.db2.gz 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Cc1[n-][nH]c(=NC(=O)C(C)(C)C(C)C)c1Br ZINC000616007967 352272866 /nfs/dbraw/zinc/27/28/66/352272866.db2.gz BFPDVFUXSNBSSO-UHFFFAOYSA-N -1 1 288.189 2.523 20 0 CFADMM Cn1ncc(C2CC2)c1C(=O)Nc1ccc([O-])c(F)c1F ZINC000616100405 352284308 /nfs/dbraw/zinc/28/43/08/352284308.db2.gz ISDDSCZBVRICMS-UHFFFAOYSA-N -1 1 293.273 2.534 20 0 CFADMM Cc1ccc2nc(-c3cnn(C(C)(C)C)c3)[n-]c(=O)c2c1 ZINC000136530978 539891818 /nfs/dbraw/zinc/89/18/18/539891818.db2.gz XTUNBTXIQHFQBK-UHFFFAOYSA-N -1 1 282.347 2.850 20 0 CFADMM CC(F)(F)CCC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000617367267 352551618 /nfs/dbraw/zinc/55/16/18/352551618.db2.gz KSLXPWVAVDENAY-UHFFFAOYSA-N -1 1 285.319 2.934 20 0 CFADMM O=C(c1ncccc1[O-])N1CC[C@@H](C2CCCCC2)C1 ZINC000618186845 352733926 /nfs/dbraw/zinc/73/39/26/352733926.db2.gz UFQOFCLNFRXXPJ-CYBMUJFWSA-N -1 1 274.364 2.830 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@H](C)[C@H]1O ZINC000618264217 352741758 /nfs/dbraw/zinc/74/17/58/352741758.db2.gz TXXOFGZMNONMFU-PBKGOJFUSA-N -1 1 299.370 2.634 20 0 CFADMM C[C@@]12COC[C@H]1CN(C(=O)c1ccc3ccccc3c1[O-])C2 ZINC000618720430 352870426 /nfs/dbraw/zinc/87/04/26/352870426.db2.gz HBWWKQGSZZZQNX-FZKQIMNGSA-N -1 1 297.354 2.654 20 0 CFADMM Cc1occc1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000618833263 352886548 /nfs/dbraw/zinc/88/65/48/352886548.db2.gz ORXFGRLVGIBTFD-UHFFFAOYSA-N -1 1 265.696 2.877 20 0 CFADMM COc1cc(C(=O)N2CC[C@@H]3C[C@@H]3C2)cc(Cl)c1[O-] ZINC000619348119 352998637 /nfs/dbraw/zinc/99/86/37/352998637.db2.gz MISLXPWSATVSFW-PSASIEDQSA-N -1 1 281.739 2.536 20 0 CFADMM COc1cc(C(=O)N[C@]2(C)CC2(C)C)cc(Cl)c1[O-] ZINC000620082369 353113015 /nfs/dbraw/zinc/11/30/15/353113015.db2.gz WUCZRZHTRVZPAZ-CQSZACIVSA-N -1 1 283.755 2.973 20 0 CFADMM CC[C@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000154627267 188154707 /nfs/dbraw/zinc/15/47/07/188154707.db2.gz BMFYNFRHCDSYSY-JTQLQIEISA-N -1 1 251.301 2.794 20 0 CFADMM CN(C[C@@H]1CCc2ccccc21)C(=O)c1cncc([O-])c1 ZINC000620687059 353220294 /nfs/dbraw/zinc/22/02/94/353220294.db2.gz LGUYXYPBJXGAKO-ZDUSSCGKSA-N -1 1 282.343 2.589 20 0 CFADMM C[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1cccs1 ZINC000156893010 188286681 /nfs/dbraw/zinc/28/66/81/188286681.db2.gz QIJKOANTWQDYJS-RXMQYKEDSA-N -1 1 290.270 2.627 20 0 CFADMM COc1cc(C(=O)N2CC3CC2(C)C3)cc(Cl)c1[O-] ZINC000621211013 353298616 /nfs/dbraw/zinc/29/86/16/353298616.db2.gz OYDJGRJXTLLFNZ-UHFFFAOYSA-N -1 1 281.739 2.679 20 0 CFADMM CCCS(=O)(=O)[N-][C@H](C(F)F)C1CCCCC1 ZINC000621323242 353323271 /nfs/dbraw/zinc/32/32/71/353323271.db2.gz XIYQRDYZUKMWTN-JTQLQIEISA-N -1 1 269.357 2.530 20 0 CFADMM O=C([O-])CC[C@@H]1CCCN(Cc2cncc(Cl)c2)C1 ZINC000621774657 353422575 /nfs/dbraw/zinc/42/25/75/353422575.db2.gz ZOXQZVKCVFGULL-NSHDSACASA-N -1 1 282.771 2.812 20 0 CFADMM O=C([O-])C[C@@H]1CCCCN1Cc1cncc(Cl)c1 ZINC000621774188 353422699 /nfs/dbraw/zinc/42/26/99/353422699.db2.gz NARQULYMBLZERO-LBPRGKRZSA-N -1 1 268.744 2.564 20 0 CFADMM CCc1cc(=O)[n-]c(SCc2ccnc(C)c2)n1 ZINC000621994831 353461952 /nfs/dbraw/zinc/46/19/52/353461952.db2.gz 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COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CC[C@H](C)C2)c1 ZINC000436505742 240456749 /nfs/dbraw/zinc/45/67/49/240456749.db2.gz OONCTNAPINUWBR-UWVGGRQHSA-N -1 1 277.320 2.554 20 0 CFADMM C[C@@H]1CCC[C@@H](CNC(=O)C(=O)c2ccc([O-])cc2)[C@@H]1C ZINC000436641461 240479781 /nfs/dbraw/zinc/47/97/81/240479781.db2.gz VXKNBDUILJDCRQ-BZPMIXESSA-N -1 1 289.375 2.763 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])[C@H](C)[C@@H](C)O1 ZINC000438384055 240672097 /nfs/dbraw/zinc/67/20/97/240672097.db2.gz GRMOJBQCZLTQMW-OPRDCNLKSA-N -1 1 283.755 2.684 20 0 CFADMM CCC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccccn1 ZINC000672863684 541458415 /nfs/dbraw/zinc/45/84/15/541458415.db2.gz LTYHXVKIRQTGMI-HNNXBMFYSA-N -1 1 298.342 2.628 20 0 CFADMM [O-]c1ccc(-c2noc(Cc3ccc(O)cc3)n2)c(F)c1 ZINC000445462681 241218807 /nfs/dbraw/zinc/21/88/07/241218807.db2.gz LQGYBPUKEGJLHT-UHFFFAOYSA-N -1 1 286.262 2.878 20 0 CFADMM [O-]c1ccc(-c2noc(-c3ccccc3O)n2)c(F)c1 ZINC000445457376 241219965 /nfs/dbraw/zinc/21/99/65/241219965.db2.gz 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/nfs/dbraw/zinc/34/24/17/294342417.db2.gz HVMFTUXDCPZSJM-ZJUUUORDSA-N -1 1 269.414 2.906 20 0 CFADMM CC[C@H]1CCC[C@@H]1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000452515754 243206706 /nfs/dbraw/zinc/20/67/06/243206706.db2.gz CAIVTDBBITZEOR-WCQYABFASA-N -1 1 275.348 2.517 20 0 CFADMM CC(C)[C@@H]1C[C@H](CNC(=O)c2c([O-])cccc2F)CCO1 ZINC000452809649 243306798 /nfs/dbraw/zinc/30/67/98/243306798.db2.gz CWINYJZOWNAWLL-RISCZKNCSA-N -1 1 295.354 2.712 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2[nH]c(=O)oc2c1 ZINC000676056378 541722847 /nfs/dbraw/zinc/72/28/47/541722847.db2.gz ZNSKEXBTQOVAAX-UHFFFAOYSA-N -1 1 288.234 2.630 20 0 CFADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H](CO)CC(C)(C)C ZINC000456410395 244174864 /nfs/dbraw/zinc/17/48/64/244174864.db2.gz BNPVRQQMGBFDBZ-LLVKDONJSA-N -1 1 299.798 2.915 20 0 CFADMM COc1cccc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)c1 ZINC000676314051 541743171 /nfs/dbraw/zinc/74/31/71/541743171.db2.gz GORGYKBDIYFFFX-UHFFFAOYSA-N -1 1 295.335 2.944 20 0 CFADMM O=C(CCC1CCOCC1)Nc1ccc([O-])c(F)c1F 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C[C@H](c1ccccn1)[N@@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459397545 245165011 /nfs/dbraw/zinc/16/50/11/245165011.db2.gz WTQMPPHAAAAFEB-LLVKDONJSA-N -1 1 284.363 2.648 20 0 CFADMM CO[C@H](C)[C@H](C)NCc1cccc(O)c1Br ZINC000459490130 245198182 /nfs/dbraw/zinc/19/81/82/245198182.db2.gz AYXAJBSYQZXINB-DTWKUNHWSA-N -1 1 288.185 2.668 20 0 CFADMM CC(C)(C)OC1CC(CCNC(=O)c2ncccc2[O-])C1 ZINC000331940670 204317079 /nfs/dbraw/zinc/31/70/79/204317079.db2.gz XTMSTHDWRRTQBD-UHFFFAOYSA-N -1 1 292.379 2.501 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2c(C)noc2C)n1 ZINC000016694761 372118528 /nfs/dbraw/zinc/11/85/28/372118528.db2.gz HAZBVVVHJXZMPH-UHFFFAOYSA-N -1 1 279.365 2.620 20 0 CFADMM COc1ccc(C(=O)Nc2ccccc2F)c([O-])c1 ZINC000019839618 372195746 /nfs/dbraw/zinc/19/57/46/372195746.db2.gz NAZOGEYIPPZBRE-UHFFFAOYSA-N -1 1 261.252 2.792 20 0 CFADMM O=C(NCC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000019838980 372195928 /nfs/dbraw/zinc/19/59/28/372195928.db2.gz SVFXWQUIJJDSLG-UHFFFAOYSA-N -1 1 269.222 2.838 20 0 CFADMM C[C@H]1C[C@@H]1CNC(=O)c1cc(Br)ccc1[O-] ZINC000032746787 372459312 /nfs/dbraw/zinc/45/93/12/372459312.db2.gz XSAPFDQOHUJEPM-JGVFFNPUSA-N -1 1 284.153 2.541 20 0 CFADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c1 ZINC000033875140 372502743 /nfs/dbraw/zinc/50/27/43/372502743.db2.gz FPOBMUKXKHVARA-UHFFFAOYSA-N -1 1 287.344 2.672 20 0 CFADMM CC[C@@H]1COCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000036819348 372599528 /nfs/dbraw/zinc/59/95/28/372599528.db2.gz PJUBKAAJZVPLOV-CQSZACIVSA-N -1 1 285.343 2.796 20 0 CFADMM CN(Cc1cccnc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000035127338 372544044 /nfs/dbraw/zinc/54/40/44/372544044.db2.gz UQMFWFLVDKODQV-UHFFFAOYSA-N -1 1 276.723 2.713 20 0 CFADMM CCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000037022187 372636135 /nfs/dbraw/zinc/63/61/35/372636135.db2.gz VLPGNFADIONMHD-UHFFFAOYSA-N -1 1 274.194 2.743 20 0 CFADMM CN(CCC(=O)[O-])Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000037932618 372739346 /nfs/dbraw/zinc/73/93/46/372739346.db2.gz OYGOLRHUMCDAHJ-UHFFFAOYSA-N -1 1 294.738 2.902 20 0 CFADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC2(CC2)C1 ZINC000333120813 205046380 /nfs/dbraw/zinc/04/63/80/205046380.db2.gz UYYDDAVXGDJAOJ-UHFFFAOYSA-N -1 1 288.734 2.830 20 0 CFADMM C[N@H+](CC(=O)Nc1ccc([O-])c(F)c1F)CC(C)(C)C ZINC000636005084 383685711 /nfs/dbraw/zinc/68/57/11/383685711.db2.gz BIDYLVLRFBARQS-UHFFFAOYSA-N -1 1 286.322 2.587 20 0 CFADMM O=S(=O)([N-]c1cccc(F)c1)c1ccc2c(c1)CCO2 ZINC000041231855 372827286 /nfs/dbraw/zinc/82/72/86/372827286.db2.gz WQIPYQHRXLEUOG-UHFFFAOYSA-N -1 1 293.319 2.561 20 0 CFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)C2)sc1C ZINC000333268544 205168724 /nfs/dbraw/zinc/16/87/24/205168724.db2.gz NDZLZGTWMDASEI-LDYMZIIASA-N -1 1 288.438 2.617 20 0 CFADMM CC[C@H]1CN(c2c(C(=O)[O-])cnc3ccccc32)CCO1 ZINC000041719432 372859584 /nfs/dbraw/zinc/85/95/84/372859584.db2.gz FERZIBRVIQHXIA-NSHDSACASA-N -1 1 286.331 2.548 20 0 CFADMM CC(C)[C@H]1N(C(=O)c2ncccc2[O-])CC12CCCC2 ZINC000333304272 205202689 /nfs/dbraw/zinc/20/26/89/205202689.db2.gz CLOJJQXWINCCEP-CQSZACIVSA-N -1 1 274.364 2.828 20 0 CFADMM C[C@@H](CN(C)Cc1ccccc1Br)C(=O)[O-] ZINC000042307848 372904440 /nfs/dbraw/zinc/90/44/40/372904440.db2.gz GAYZCJPLUOKASD-VIFPVBQESA-N -1 1 286.169 2.602 20 0 CFADMM CN(Cc1cscn1)C(=O)c1cc(Cl)ccc1[O-] ZINC000042462501 372927049 /nfs/dbraw/zinc/92/70/49/372927049.db2.gz MDCOVZZRPKSYLY-UHFFFAOYSA-N -1 1 282.752 2.774 20 0 CFADMM C[C@H](CN(C)Cc1coc(-c2cccs2)n1)C(=O)[O-] ZINC000042705682 372947253 /nfs/dbraw/zinc/94/72/53/372947253.db2.gz FDRRLGZWUKXHEN-SECBINFHSA-N -1 1 280.349 2.556 20 0 CFADMM COc1ccc([N-]S(=O)(=O)c2ccccc2)cc1F ZINC000048655204 373210600 /nfs/dbraw/zinc/21/06/00/373210600.db2.gz FWXVHTWRDRCGQM-UHFFFAOYSA-N -1 1 281.308 2.635 20 0 CFADMM CN(C[C@@H]1CCCO1)C(=O)c1ccc2ccccc2c1[O-] ZINC000048950408 373236259 /nfs/dbraw/zinc/23/62/59/373236259.db2.gz HTIIDMPUSYKPQC-ZDUSSCGKSA-N -1 1 285.343 2.796 20 0 CFADMM O=S(=O)(CCCc1ccccc1)c1ccc([O-])cc1 ZINC000049489079 373303906 /nfs/dbraw/zinc/30/39/06/373303906.db2.gz XPBIYXAOCDJDGY-UHFFFAOYSA-N -1 1 276.357 2.799 20 0 CFADMM O=S(=O)(Cc1ccccc1F)c1ccc([O-])cc1 ZINC000049488983 373304436 /nfs/dbraw/zinc/30/44/36/373304436.db2.gz ZJZRDWYUEUOJEF-UHFFFAOYSA-N -1 1 266.293 2.505 20 0 CFADMM CC(C)c1nc(CN2CCC[C@](C)(C(=O)[O-])C2)cs1 ZINC000062875717 373770304 /nfs/dbraw/zinc/77/03/04/373770304.db2.gz ZRZQKIVHIDVQGL-AWEZNQCLSA-N -1 1 282.409 2.953 20 0 CFADMM CC(C)n1c(CNC(=O)c2ccc(F)cc2)n[n-]c1=S ZINC000066639524 373943506 /nfs/dbraw/zinc/94/35/06/373943506.db2.gz UZVGZWZOWOFYIC-UHFFFAOYSA-N -1 1 294.355 2.591 20 0 CFADMM CC(C)n1c(CNC(=O)CC(C)(C)C)n[n-]c1=S ZINC000066640387 373944501 /nfs/dbraw/zinc/94/45/01/373944501.db2.gz DMQQXEDQKODNRJ-UHFFFAOYSA-N -1 1 270.402 2.574 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]2COCC[C@@H]21 ZINC000336523748 296209881 /nfs/dbraw/zinc/20/98/81/296209881.db2.gz DIDMJMGCGLSJPS-GWCFXTLKSA-N -1 1 295.766 2.687 20 0 CFADMM O=C(Nc1ncccc1[O-])c1ccc2c(c1)CCCC2=O ZINC000346303942 284436688 /nfs/dbraw/zinc/43/66/88/284436688.db2.gz GNABRXIGKYAGHZ-UHFFFAOYSA-N -1 1 282.299 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2.508 20 0 CFADMM CCC1(CNC(=O)c2c(C)[n-]c(=O)nc2SC)CCC1 ZINC000084381693 374776374 /nfs/dbraw/zinc/77/63/74/374776374.db2.gz QGCUZVPFCRUPJR-UHFFFAOYSA-N -1 1 295.408 2.523 20 0 CFADMM CC(=O)C[C@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000093098131 375187827 /nfs/dbraw/zinc/18/78/27/375187827.db2.gz DEGSXUFAIADLHS-JTQLQIEISA-N -1 1 271.316 2.643 20 0 CFADMM COC(=O)c1nc2cc(-c3ccoc3C)ccc2[n-]1 ZINC001243065942 781966254 /nfs/dbraw/zinc/96/62/54/781966254.db2.gz TVIKCQLZMZTFMD-UHFFFAOYSA-N -1 1 256.261 2.918 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccoc3C)cc2[n-]1 ZINC001243065942 781966262 /nfs/dbraw/zinc/96/62/62/781966262.db2.gz TVIKCQLZMZTFMD-UHFFFAOYSA-N -1 1 256.261 2.918 20 0 CFADMM C[C@@]1(CNC(=O)c2cc3ccccc3cc2[O-])CCCO1 ZINC000094803836 375381443 /nfs/dbraw/zinc/38/14/43/375381443.db2.gz QPBAZGHGAXZRDF-KRWDZBQOSA-N -1 1 285.343 2.844 20 0 CFADMM CCCOc1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1 ZINC000491853043 542017117 /nfs/dbraw/zinc/01/71/17/542017117.db2.gz PMJYVZCUVWUPQF-UHFFFAOYSA-N -1 1 281.315 2.774 20 0 CFADMM O=C([N-]c1nc(-c2ccccc2)ns1)c1cscn1 ZINC000102992680 375706622 /nfs/dbraw/zinc/70/66/22/375706622.db2.gz PMGFXJPWWZWKBX-UHFFFAOYSA-N -1 1 288.357 2.914 20 0 CFADMM CC(C)[C@H](NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000111776703 375870913 /nfs/dbraw/zinc/87/09/13/375870913.db2.gz FTBFCQYNFMJMSB-HNNXBMFYSA-N -1 1 270.332 2.914 20 0 CFADMM O=C([N-]c1c(F)cc(Cl)cc1F)c1cocn1 ZINC000678788482 542070446 /nfs/dbraw/zinc/07/04/46/542070446.db2.gz PNXMNGQQFDAWKL-UHFFFAOYSA-N -1 1 258.611 2.859 20 0 CFADMM CCC1(CC)CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000111740152 375867106 /nfs/dbraw/zinc/86/71/06/375867106.db2.gz LGVFBEUYGYFTOZ-UHFFFAOYSA-N -1 1 262.353 2.830 20 0 CFADMM O=C(Nc1ccc(Cl)c(F)c1)c1cncc([O-])c1 ZINC000111739343 375867220 /nfs/dbraw/zinc/86/72/20/375867220.db2.gz ZRWYQZQVBGBHAW-UHFFFAOYSA-N -1 1 266.659 2.832 20 0 CFADMM CCN(C(=O)c1cncc([O-])c1)c1ccc(F)cc1 ZINC000111739914 375867641 /nfs/dbraw/zinc/86/76/41/375867641.db2.gz HPSTWECGWQPONZ-UHFFFAOYSA-N -1 1 260.268 2.593 20 0 CFADMM C[C@H](NC(=O)c1cncc([O-])c1)c1ccc(F)cc1F ZINC000111776185 375869084 /nfs/dbraw/zinc/86/90/84/375869084.db2.gz CWILARWAOOUWOC-QMMMGPOBSA-N -1 1 278.258 2.556 20 0 CFADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000112889332 375973838 /nfs/dbraw/zinc/97/38/38/375973838.db2.gz VCNGWBHEDFNWCS-YRGRVCCFSA-N -1 1 297.301 2.643 20 0 CFADMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cncc([O-])c2)C1 ZINC000113442896 376017154 /nfs/dbraw/zinc/01/71/54/376017154.db2.gz ATYAGODYMHBFBO-GOSISDBHSA-N -1 1 296.370 2.981 20 0 CFADMM CCN(CCCC(=O)[O-])Cc1c(F)cccc1F ZINC000116390377 376184348 /nfs/dbraw/zinc/18/43/48/376184348.db2.gz RHUAHQYSZVCFKR-UHFFFAOYSA-N -1 1 257.280 2.652 20 0 CFADMM CCC[C@]1(COC)CCCN1C(=O)c1ccc([O-])cc1F ZINC000278040055 193822124 /nfs/dbraw/zinc/82/21/24/193822124.db2.gz JEKATPMYQANAIB-MRXNPFEDSA-N -1 1 295.354 2.953 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@]2(CCOC2)C1 ZINC000155204577 296240559 /nfs/dbraw/zinc/24/05/59/296240559.db2.gz ZQFGDZWBRPXBDO-SFHVURJKSA-N -1 1 297.354 2.798 20 0 CFADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)c1c([O-])cccc1F ZINC000119806826 376477859 /nfs/dbraw/zinc/47/78/59/376477859.db2.gz BBZJBLYBOFPNRN-BXUZGUMPSA-N -1 1 295.354 2.856 20 0 CFADMM C[C@@H](c1nc2ccccc2n1C(F)F)N(C)CCC(=O)[O-] ZINC000262672612 190061085 /nfs/dbraw/zinc/06/10/85/190061085.db2.gz SDVQEURTZFAMMX-VIFPVBQESA-N -1 1 297.305 2.899 20 0 CFADMM O=C(c1ncccc1[O-])N1CC[C@@H](c2cccc(F)c2)C1 ZINC000264255148 190099538 /nfs/dbraw/zinc/09/95/38/190099538.db2.gz GHKBNLURSRDDPE-GFCCVEGCSA-N -1 1 286.306 2.556 20 0 CFADMM COCCC[C@@H](C)C(=O)Nc1c([O-])cccc1F ZINC000679239353 542143195 /nfs/dbraw/zinc/14/31/95/542143195.db2.gz IYWUWXIELPCRCU-SECBINFHSA-N -1 1 255.289 2.533 20 0 CFADMM CCSCC[C@@H](C)N(C)Cc1nc(CC)cc(=O)[nH]1 ZINC000121613869 376871312 /nfs/dbraw/zinc/87/13/12/376871312.db2.gz UNXGOFULJMSALU-LLVKDONJSA-N -1 1 283.441 2.708 20 0 CFADMM COc1cc(C)c(NC(=O)c2ccccc2[O-])cc1OC ZINC000121731574 376894514 /nfs/dbraw/zinc/89/45/14/376894514.db2.gz CQNXCVCMKQSPQN-UHFFFAOYSA-N -1 1 287.315 2.970 20 0 CFADMM Cc1cccnc1CN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000122453322 376929786 /nfs/dbraw/zinc/92/97/86/376929786.db2.gz YVRGGDRDPPKVAZ-UHFFFAOYSA-N -1 1 282.343 2.647 20 0 CFADMM Cc1cccc(CN(C)C(=O)c2cc(F)ccc2[O-])n1 ZINC000124062451 377012419 /nfs/dbraw/zinc/01/24/19/377012419.db2.gz QNIHDOQIQNQQEW-UHFFFAOYSA-N -1 1 274.295 2.507 20 0 CFADMM COc1cc2nc(-c3ccsc3)[n-]c(=O)c2cc1OC ZINC000125384507 377150454 /nfs/dbraw/zinc/15/04/54/377150454.db2.gz MBGAJEBKOKEJBE-UHFFFAOYSA-N -1 1 288.328 2.669 20 0 CFADMM CN(C)c1ncccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129604200 377449442 /nfs/dbraw/zinc/44/94/42/377449442.db2.gz JMWMPTBQCAMOCL-UHFFFAOYSA-N -1 1 291.738 2.759 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)ccc1F ZINC000129264585 377404218 /nfs/dbraw/zinc/40/42/18/377404218.db2.gz JRHIHQYJEYVYAU-UHFFFAOYSA-N -1 1 297.355 2.781 20 0 CFADMM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc2[nH]nnc2c1 ZINC000129715000 377464852 /nfs/dbraw/zinc/46/48/52/377464852.db2.gz CLNLDIRBWAYEFR-OAHLLOKOSA-N -1 1 295.346 2.576 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N(CC(F)F)C1CC1 ZINC000265321594 190174780 /nfs/dbraw/zinc/17/47/80/190174780.db2.gz LXZMQBQMUHGIJY-UHFFFAOYSA-N -1 1 275.682 2.915 20 0 CFADMM CC(C)CN(CC(C)(C)C)C(=O)c1ncccc1[O-] ZINC000132121962 377803851 /nfs/dbraw/zinc/80/38/51/377803851.db2.gz UJALEMAHGLQOMM-UHFFFAOYSA-N -1 1 264.369 2.932 20 0 CFADMM CC(C)CC[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000132281710 377822696 /nfs/dbraw/zinc/82/26/96/377822696.db2.gz XPDIBIFFGOXGPD-GFCCVEGCSA-N -1 1 262.353 2.828 20 0 CFADMM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000132284618 377822727 /nfs/dbraw/zinc/82/27/27/377822727.db2.gz XXGCCMJKJAETMO-RYUDHWBXSA-N -1 1 262.353 2.828 20 0 CFADMM C[C@@H]1OCCN(C(=O)c2ccc3ccccc3c2[O-])[C@H]1C ZINC000150967766 378283509 /nfs/dbraw/zinc/28/35/09/378283509.db2.gz WNPBAEOXOKCAFX-RYUDHWBXSA-N -1 1 285.343 2.795 20 0 CFADMM O=c1[nH]c(C=Cc2ccc([O-])c(Cl)c2)nc2cnccc12 ZINC000151484692 378330861 /nfs/dbraw/zinc/33/08/61/378330861.db2.gz ZYJPJJREZRCKJM-DUXPYHPUSA-N -1 1 299.717 2.848 20 0 CFADMM C[N@@H+](CCc1ccccc1)CC(=O)Nc1ccccc1O ZINC000679816118 542238283 /nfs/dbraw/zinc/23/82/83/542238283.db2.gz FYPILQIPEUKZAU-UHFFFAOYSA-N -1 1 284.359 2.505 20 0 CFADMM Cc1cnc(C(=O)N(CC2CC2)C2CCC2)c([O-])c1 ZINC000330103385 378523158 /nfs/dbraw/zinc/52/31/58/378523158.db2.gz IQXDCGLGIYBXGU-UHFFFAOYSA-N -1 1 260.337 2.500 20 0 CFADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H](c2ccco2)C1 ZINC000153928654 378524999 /nfs/dbraw/zinc/52/49/99/378524999.db2.gz BBHGEAXTDPOSKX-NWDGAFQWSA-N -1 1 286.331 2.994 20 0 CFADMM CC[C@](C)(NC(=O)c1ncccc1[O-])c1nc(C)cs1 ZINC000153887859 378520576 /nfs/dbraw/zinc/52/05/76/378520576.db2.gz FPZMGGIMQWIGNI-AWEZNQCLSA-N -1 1 291.376 2.607 20 0 CFADMM O=C(NCCc1ccc[nH]1)c1cc2ccccc2cc1[O-] ZINC000154248677 378552233 /nfs/dbraw/zinc/55/22/33/378552233.db2.gz FVFBMRWKAZBRBV-UHFFFAOYSA-N -1 1 280.327 2.846 20 0 CFADMM CCCN(CC(C)C)C(=O)c1ncc(C)cc1[O-] ZINC000331154975 378641903 /nfs/dbraw/zinc/64/19/03/378641903.db2.gz PIIRBZOBBASMQT-UHFFFAOYSA-N -1 1 250.342 2.604 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@]2(CCOC2)C1 ZINC000155204680 378615439 /nfs/dbraw/zinc/61/54/39/378615439.db2.gz ZQFGDZWBRPXBDO-GOSISDBHSA-N -1 1 297.354 2.798 20 0 CFADMM CC[C@@H](C)N(CC(=O)OC(C)(C)C)Cc1ncccc1[O-] ZINC000571842317 383731126 /nfs/dbraw/zinc/73/11/26/383731126.db2.gz TZGKPLHRGYSIGH-GFCCVEGCSA-N -1 1 294.395 2.729 20 0 CFADMM CC[C@@H](C)C(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000331571314 378709834 /nfs/dbraw/zinc/70/98/34/378709834.db2.gz ZPAKHBLFTBABQX-MRVPVSSYSA-N -1 1 266.366 2.767 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@](O)(C2CC2)C1 ZINC000334199451 378914148 /nfs/dbraw/zinc/91/41/48/378914148.db2.gz MKQXBBIIZJLJMR-SFHVURJKSA-N -1 1 297.354 2.532 20 0 CFADMM C[C@]1(C(=O)[O-])CCN(Cc2ccc(Cl)cc2F)C1 ZINC000162552101 378918191 /nfs/dbraw/zinc/91/81/91/378918191.db2.gz CJMAGWGMXHKKIK-ZDUSSCGKSA-N -1 1 271.719 2.776 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cc2c(s1)CCOC2 ZINC000334237134 378963736 /nfs/dbraw/zinc/96/37/36/378963736.db2.gz LUHRBKJVLGSHKJ-UHFFFAOYSA-N -1 1 293.319 2.918 20 0 CFADMM C[C@@H]1[C@@H](C)CN1C(=O)c1ccc(Br)c([O-])c1 ZINC000334250420 378981651 /nfs/dbraw/zinc/98/16/51/378981651.db2.gz JTJBPYYBXHVZHR-JGVFFNPUSA-N -1 1 284.153 2.635 20 0 CFADMM C[C@@H]1OCC[C@@H]1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000164060602 379003321 /nfs/dbraw/zinc/00/33/21/379003321.db2.gz FBIWRBDMDVXULL-XPTSAGLGSA-N -1 1 292.356 2.909 20 0 CFADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000164246062 379012127 /nfs/dbraw/zinc/01/21/27/379012127.db2.gz MGCXUYLSBVVPOJ-SDDRHHMPSA-N -1 1 281.377 2.734 20 0 CFADMM COC(=O)c1c[n-]c(SCc2sc(C)nc2C)n1 ZINC000278673426 194096771 /nfs/dbraw/zinc/09/67/71/194096771.db2.gz OLBZONOKWCQAKE-UHFFFAOYSA-N -1 1 283.378 2.562 20 0 CFADMM O=C(N[C@@H]1CCc2cc(F)ccc21)C(=O)c1ccc([O-])cc1 ZINC000334341363 379123656 /nfs/dbraw/zinc/12/36/56/379123656.db2.gz JALLEBIKPISBBL-OAHLLOKOSA-N -1 1 299.301 2.518 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2ncnn2C(C)C)n1 ZINC000278772873 194148214 /nfs/dbraw/zinc/14/82/14/194148214.db2.gz SXQNAGRSJZOMKK-UHFFFAOYSA-N -1 1 293.396 2.599 20 0 CFADMM C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000335378866 379189612 /nfs/dbraw/zinc/18/96/12/379189612.db2.gz PJSDTUCEXFDOKV-IUODEOHRSA-N -1 1 299.370 2.778 20 0 CFADMM C[C@H]1[C@@H](CO)CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000335378867 379190260 /nfs/dbraw/zinc/19/02/60/379190260.db2.gz PJSDTUCEXFDOKV-SWLSCSKDSA-N -1 1 299.370 2.778 20 0 CFADMM Cc1ccc(F)c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000334415610 379258787 /nfs/dbraw/zinc/25/87/87/379258787.db2.gz XAVVBZUZVYRERW-UHFFFAOYSA-N -1 1 288.204 2.523 20 0 CFADMM C[C@@H]1N(C(=O)c2ccc([O-])cc2F)CCC12CCOCC2 ZINC000334454723 379329943 /nfs/dbraw/zinc/32/99/43/379329943.db2.gz NCTGQVLAJTYREN-NSHDSACASA-N -1 1 293.338 2.563 20 0 CFADMM COc1cc(C(=O)N2CCCCC2)cc(Cl)c1[O-] ZINC000334482459 379378810 /nfs/dbraw/zinc/37/88/10/379378810.db2.gz WWBJGPMBOWYZGG-UHFFFAOYSA-N -1 1 269.728 2.680 20 0 CFADMM Cc1ccc2c([n-]cc(C(=O)N3CCCC(C)(C)C3)c2=O)[nH+]1 ZINC000171857275 379423650 /nfs/dbraw/zinc/42/36/50/379423650.db2.gz QVDCCBYNTXYAFH-UHFFFAOYSA-N -1 1 299.374 2.906 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N3CCCC(C)(C)C3)cnc2n1 ZINC000171857275 379423657 /nfs/dbraw/zinc/42/36/57/379423657.db2.gz QVDCCBYNTXYAFH-UHFFFAOYSA-N -1 1 299.374 2.906 20 0 CFADMM C[C@H]1C[C@@H](CO)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000335530328 379460680 /nfs/dbraw/zinc/46/06/80/379460680.db2.gz OPIROZXBZXNGMF-QWHCGFSZSA-N -1 1 299.370 2.636 20 0 CFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC1CCCCC1 ZINC000266951121 190292833 /nfs/dbraw/zinc/29/28/33/190292833.db2.gz FBRHDKGVIQMTPC-UHFFFAOYSA-N -1 1 295.408 2.523 20 0 CFADMM C[C@H]1CCCN(Cc2cc(F)c(F)c(F)c2)[C@@H]1C(=O)[O-] ZINC000334578314 379565943 /nfs/dbraw/zinc/56/59/43/379565943.db2.gz ISPFLXXNMLSHSN-SDBXPKJASA-N -1 1 287.281 2.789 20 0 CFADMM Cc1ccc(NC(=O)c2c(F)ccc([O-])c2F)c(O)c1 ZINC000335669222 379691148 /nfs/dbraw/zinc/69/11/48/379691148.db2.gz KOLYNYOKDJGSBN-UHFFFAOYSA-N -1 1 279.242 2.937 20 0 CFADMM C[C@@H](CNC(=O)c1ccc2ccccc2c1[O-])C[C@H](C)O ZINC000267215434 190312326 /nfs/dbraw/zinc/31/23/26/190312326.db2.gz NLLNAKQKYMCXEW-NEPJUHHUSA-N -1 1 287.359 2.682 20 0 CFADMM C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc2ccccc2c1[O-] ZINC000267215440 190312679 /nfs/dbraw/zinc/31/26/79/190312679.db2.gz NLLNAKQKYMCXEW-VXGBXAGGSA-N -1 1 287.359 2.682 20 0 CFADMM C[C@H]1[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1(F)F ZINC000335660443 379675712 /nfs/dbraw/zinc/67/57/12/379675712.db2.gz SCTYIOFWRNGERW-SSDLBLMSSA-N -1 1 261.655 2.885 20 0 CFADMM O=S(=O)(C[C@@H]1CCCC1(F)F)c1ccc([O-])cc1 ZINC000334667913 379737524 /nfs/dbraw/zinc/73/75/24/379737524.db2.gz XPTUAPDYCQPSGK-VIFPVBQESA-N -1 1 276.304 2.601 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cc(=O)[nH]c(C2CC2)c1 ZINC000335764260 379850920 /nfs/dbraw/zinc/85/09/20/379850920.db2.gz OJRBWAJZJCQCIN-UHFFFAOYSA-N -1 1 288.278 2.762 20 0 CFADMM CC[C@H](Cc1ccccc1)N(C)C(=O)c1cncc([O-])c1 ZINC000174037253 379818529 /nfs/dbraw/zinc/81/85/29/379818529.db2.gz DFOCNLKGNFATIU-OAHLLOKOSA-N 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ZJWVJSHKJBVRJK-SNVBAGLBSA-N -1 1 281.739 2.893 20 0 CFADMM O=c1[nH]c(CC(F)(F)F)c(O)n1-c1cccc2[nH]ccc21 ZINC000336615717 380554012 /nfs/dbraw/zinc/55/40/12/380554012.db2.gz KKSOITJDTNIBTF-SECBINFHSA-N -1 1 297.236 2.545 20 0 CFADMM CSc1ccc(S(=O)(=O)[N-]c2ncccc2F)cc1 ZINC000180261023 380640304 /nfs/dbraw/zinc/64/03/04/380640304.db2.gz ZCIWWVPSSATGOL-UHFFFAOYSA-N -1 1 298.364 2.743 20 0 CFADMM O=C(NCc1cccnc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180332847 380646319 /nfs/dbraw/zinc/64/63/19/380646319.db2.gz RVNZTACKJABHEO-UHFFFAOYSA-N -1 1 296.248 2.736 20 0 CFADMM COC(C)(C)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180605784 380681123 /nfs/dbraw/zinc/68/11/23/380681123.db2.gz MYRJFPFIYHZJBH-UHFFFAOYSA-N -1 1 291.269 2.566 20 0 CFADMM CS[C@H](C)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180776734 380697265 /nfs/dbraw/zinc/69/72/65/380697265.db2.gz FFBFQCBZNUWVMU-SSDOTTSWSA-N -1 1 293.310 2.892 20 0 CFADMM Cc1cccc([N-]S(=O)(=O)Cc2ccccc2C)n1 ZINC000180809279 380701205 /nfs/dbraw/zinc/70/12/05/380701205.db2.gz 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CO[C@H](C)c1nc(=NC[C@H]2CCC(F)(F)C2)s[n-]1 ZINC000337944746 382875970 /nfs/dbraw/zinc/87/59/70/382875970.db2.gz JXTPCWSJJYCVTK-SFYZADRCSA-N -1 1 277.340 2.515 20 0 CFADMM O=C(NCc1c(F)cccc1Cl)c1ncccc1[O-] ZINC000337991018 382891659 /nfs/dbraw/zinc/89/16/59/382891659.db2.gz VIMSJQOAXCLOLM-UHFFFAOYSA-N -1 1 280.686 2.510 20 0 CFADMM CC(C)C[C@H]1COCCN1CCc1ccccc1C(=O)[O-] ZINC000578634970 382939074 /nfs/dbraw/zinc/93/90/74/382939074.db2.gz PTPZSOKRMWIIKK-HNNXBMFYSA-N -1 1 291.391 2.674 20 0 CFADMM CCC[C@H](C(=O)[O-])N1CCC[C@H]1c1ccc(COC)o1 ZINC000578660699 382942871 /nfs/dbraw/zinc/94/28/71/382942871.db2.gz RFUUEMYDBBKFKL-QWHCGFSZSA-N -1 1 281.352 2.816 20 0 CFADMM C[C@H]1CCN(Cc2csc(C3CC3)n2)C[C@H]1C(=O)[O-] ZINC000578866893 382962142 /nfs/dbraw/zinc/96/21/42/382962142.db2.gz BNCDJNNSMIAKIY-JOYOIKCWSA-N -1 1 280.393 2.563 20 0 CFADMM C[C@H]1CCN(Cc2nc(C3CC3)cs2)C[C@@H]1C(=O)[O-] ZINC000578358168 382913837 /nfs/dbraw/zinc/91/38/37/382913837.db2.gz SNRQUZDSXSXBTJ-ONGXEEELSA-N -1 1 280.393 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1 275.304 2.618 20 0 CFADMM FC(F)(F)c1nc(=N[C@@H]2CC[C@H]3C[C@H]3C2)s[n-]1 ZINC000403468728 393614181 /nfs/dbraw/zinc/61/41/81/393614181.db2.gz NYKMBDVANCOIJM-LYFYHCNISA-N -1 1 263.288 2.579 20 0 CFADMM CC(C)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000192707674 393630106 /nfs/dbraw/zinc/63/01/06/393630106.db2.gz IRVFYWASJPHCJQ-UHFFFAOYSA-N -1 1 268.382 2.812 20 0 CFADMM CCC(CC)(CC)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000075492927 393674020 /nfs/dbraw/zinc/67/40/20/393674020.db2.gz CTCOGSKALNUPQR-UHFFFAOYSA-N -1 1 287.363 2.622 20 0 CFADMM C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C1CCCCC1 ZINC000075487262 393674132 /nfs/dbraw/zinc/67/41/32/393674132.db2.gz YFZJZVKCMQLMBJ-NSHDSACASA-N -1 1 299.374 2.622 20 0 CFADMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000075491242 393674292 /nfs/dbraw/zinc/67/42/92/393674292.db2.gz FXRCWHVQIJBZCD-NWDGAFQWSA-N -1 1 299.374 2.986 20 0 CFADMM CCn1ncc2ccc(NC(=O)c3ccc(O)cc3[O-])cc21 ZINC000195362206 393739484 /nfs/dbraw/zinc/73/94/84/393739484.db2.gz 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YXJAYLKWZRLUET-QMMMGPOBSA-N -1 1 271.769 2.529 20 0 CFADMM CO[C@@]1(C)CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000230268629 393778344 /nfs/dbraw/zinc/77/83/44/393778344.db2.gz XVTSMXGLDGXVGO-AWEZNQCLSA-N -1 1 283.755 2.687 20 0 CFADMM CCN(C(=O)c1cc(F)ccc1[O-])c1nc(C)cs1 ZINC000091683396 393785440 /nfs/dbraw/zinc/78/54/40/393785440.db2.gz NHQYIFXAYNLRMR-UHFFFAOYSA-N -1 1 280.324 2.963 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)C[C@@H](CC)C(C)C)[n-]1 ZINC000415639788 393813810 /nfs/dbraw/zinc/81/38/10/393813810.db2.gz QNKHNAQDYJARCV-SNVBAGLBSA-N -1 1 281.356 2.597 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)C[C@@H](CC)C(C)C)n1 ZINC000415639788 393813812 /nfs/dbraw/zinc/81/38/12/393813812.db2.gz QNKHNAQDYJARCV-SNVBAGLBSA-N -1 1 281.356 2.597 20 0 CFADMM C[C@@H]1CCN(C(=O)c2cncc([O-])c2)[C@@H]2CCCC[C@H]12 ZINC000111775658 393888145 /nfs/dbraw/zinc/88/81/45/393888145.db2.gz FRXIUZZNDNCAHR-KCPJHIHWSA-N -1 1 274.364 2.828 20 0 CFADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCC(F)(F)C1 ZINC000684578085 542830564 /nfs/dbraw/zinc/83/05/64/542830564.db2.gz WDDRKLDUXCDJJY-ZETCQYMHSA-N -1 1 259.227 2.905 20 0 CFADMM CCc1ccc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])o1 ZINC000424411774 393843591 /nfs/dbraw/zinc/84/35/91/393843591.db2.gz BSYKEMDIAJYWPX-GWCFXTLKSA-N -1 1 251.326 2.527 20 0 CFADMM C[C@H](CNC(=O)c1ccc([O-])cc1F)c1nccs1 ZINC000120179085 393931229 /nfs/dbraw/zinc/93/12/29/393931229.db2.gz GQXXWFSRGWBIQT-MRVPVSSYSA-N -1 1 280.324 2.521 20 0 CFADMM CC(C)c1ccc(C(=O)Nc2cncnc2)c([O-])c1 ZINC000436821467 394023805 /nfs/dbraw/zinc/02/38/05/394023805.db2.gz WYYJAYIWAFBSDG-UHFFFAOYSA-N -1 1 257.293 2.558 20 0 CFADMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc(Br)cc1[O-] ZINC000436822207 394025008 /nfs/dbraw/zinc/02/50/08/394025008.db2.gz NWDUVTROURYZAG-GDGBQDQQSA-N -1 1 296.164 2.683 20 0 CFADMM Cc1ccc(CN[C@H](Cc2ccc(C)c(C)c2)C(=O)[O-])o1 ZINC000417647524 393989365 /nfs/dbraw/zinc/98/93/65/393989365.db2.gz FZKZNIPWXRNIIT-MRXNPFEDSA-N -1 1 287.359 2.990 20 0 CFADMM CN(Cc1cccc(F)c1)C(=O)c1cc(F)ccc1[O-] ZINC000124044378 393990482 /nfs/dbraw/zinc/99/04/82/393990482.db2.gz ZJXSVXXTNZQQHU-UHFFFAOYSA-N -1 1 277.270 2.943 20 0 CFADMM O=C(Nc1ccc(-c2nnco2)cc1)c1ccccc1[O-] ZINC000124427871 393995384 /nfs/dbraw/zinc/99/53/84/393995384.db2.gz FKYPBQQNWYHVFP-UHFFFAOYSA-N -1 1 281.271 2.695 20 0 CFADMM Cc1nc2ccc(NC(=O)c3c([O-])cccc3F)cc2[nH]1 ZINC000436944234 394037747 /nfs/dbraw/zinc/03/77/47/394037747.db2.gz AZXGMTIDLNDMRT-UHFFFAOYSA-N -1 1 285.278 2.968 20 0 CFADMM CC[C@@H](CC(F)(F)F)NC(=O)c1cc(F)ccc1[O-] ZINC000436976108 394039810 /nfs/dbraw/zinc/03/98/10/394039810.db2.gz ARBFBQXYUGKYTB-QMMMGPOBSA-N -1 1 279.233 2.992 20 0 CFADMM C[C@H](Cc1cccc(O)c1)NC(=O)c1c([O-])cccc1F ZINC000436994275 394041399 /nfs/dbraw/zinc/04/13/99/394041399.db2.gz BODCCQVXDPATSZ-SNVBAGLBSA-N -1 1 289.306 2.598 20 0 CFADMM COc1nn(C)cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436987276 394041469 /nfs/dbraw/zinc/04/14/69/394041469.db2.gz ISBASTBPZGIHDA-UHFFFAOYSA-N -1 1 297.314 2.540 20 0 CFADMM C[C@](O)(CNC(=O)c1cc(F)ccc1[O-])C1CCCCC1 ZINC000437006920 394042827 /nfs/dbraw/zinc/04/28/27/394042827.db2.gz WRWUIHMDIPZIFB-INIZCTEOSA-N -1 1 295.354 2.592 20 0 CFADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000127813310 394056809 /nfs/dbraw/zinc/05/68/09/394056809.db2.gz NTGYLJXAHJAFLH-SMDDNHRTSA-N -1 1 299.374 2.574 20 0 CFADMM Cc1cc(F)ccc1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000128055553 394061878 /nfs/dbraw/zinc/06/18/78/394061878.db2.gz LWGOWFWZCWWEOL-UHFFFAOYSA-N -1 1 286.266 2.765 20 0 CFADMM C[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000128597945 394073350 /nfs/dbraw/zinc/07/33/50/394073350.db2.gz AZHYAYXMTYPKPF-BXKDBHETSA-N -1 1 251.301 2.840 20 0 CFADMM C[C@H]1CCCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000128670104 394073731 /nfs/dbraw/zinc/07/37/31/394073731.db2.gz SCBQQMCCXPPNKO-JTQLQIEISA-N -1 1 251.301 2.936 20 0 CFADMM CCOCc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000439060508 394096410 /nfs/dbraw/zinc/09/64/10/394096410.db2.gz PUWJHQNNHPODSJ-UHFFFAOYSA-N -1 1 287.315 2.887 20 0 CFADMM O=C(NCc1cccc2cc[nH]c21)c1cc(F)ccc1[O-] ZINC000436842669 394027790 /nfs/dbraw/zinc/02/77/90/394027790.db2.gz WJWHSTDOILOIQI-UHFFFAOYSA-N -1 1 284.290 2.943 20 0 CFADMM Cc1ccccc1CN(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436859454 394029413 /nfs/dbraw/zinc/02/94/13/394029413.db2.gz LDJMSGHUBRNANG-UHFFFAOYSA-N -1 1 283.327 2.542 20 0 CFADMM O=C(Nc1ccccc1-n1ccnc1)c1ccc([O-])cc1F ZINC000436880788 394031682 /nfs/dbraw/zinc/03/16/82/394031682.db2.gz PXQGOPWIGAGVDD-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc(Cl)cc1[O-] ZINC000436913549 394034112 /nfs/dbraw/zinc/03/41/12/394034112.db2.gz YWYMGVHSWBEABK-WDEREUQCSA-N -1 1 251.713 2.574 20 0 CFADMM Cc1ccc2nc(-c3ccc(O)cc3C)[n-]c(=O)c2c1 ZINC000436919690 394035093 /nfs/dbraw/zinc/03/50/93/394035093.db2.gz DFFVAHQRYQREAO-UHFFFAOYSA-N -1 1 266.300 2.913 20 0 CFADMM C[C@H]1c2ccccc2CCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000436937256 394035706 /nfs/dbraw/zinc/03/57/06/394035706.db2.gz PSEOJPSFJSRJNK-LBPRGKRZSA-N -1 1 295.338 2.721 20 0 CFADMM COC(C)(C)CS(=O)(=O)[N-]c1ccccc1SC ZINC000439247176 394106407 /nfs/dbraw/zinc/10/64/07/394106407.db2.gz MWLADNKTOKHASY-UHFFFAOYSA-N -1 1 289.422 2.575 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCc2ccsc2C1 ZINC000130256545 394107522 /nfs/dbraw/zinc/10/75/22/394107522.db2.gz AHBCTVRGHIVOOM-UHFFFAOYSA-N -1 1 277.320 2.791 20 0 CFADMM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000131624337 394137249 /nfs/dbraw/zinc/13/72/49/394137249.db2.gz RWINUIQCHWSTSI-KCJUWKMLSA-N -1 1 291.775 2.946 20 0 CFADMM CC[C@H](CS(=O)(=O)[N-]c1cccc(F)c1Cl)OC ZINC000421253027 394185093 /nfs/dbraw/zinc/18/50/93/394185093.db2.gz VXYMDTBKIADSEM-MRVPVSSYSA-N -1 1 295.763 2.646 20 0 CFADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([O-])cc2F)C1(C)C ZINC000154919193 394304887 /nfs/dbraw/zinc/30/48/87/394304887.db2.gz HUSQNZFVXCEPRP-KBPBESRZSA-N -1 1 295.354 2.807 20 0 CFADMM O=C(CC1CC1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450700242 394320780 /nfs/dbraw/zinc/32/07/80/394320780.db2.gz SNSYVFYVXAGYCU-UHFFFAOYSA-N -1 1 292.726 2.569 20 0 CFADMM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2cccc(F)c2[O-])C1 ZINC000527614207 394391868 /nfs/dbraw/zinc/39/18/68/394391868.db2.gz MODGQJVQDGADOK-PSASIEDQSA-N -1 1 289.310 2.559 20 0 CFADMM CC[C@@H]([N-]S(=O)(=O)Cc1c(C)cccc1C)C(F)F ZINC000451086774 394356275 /nfs/dbraw/zinc/35/62/75/394356275.db2.gz SUXSBLWHAGEOHK-GFCCVEGCSA-N -1 1 291.363 2.767 20 0 CFADMM C[C@H]1CCC[C@@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000684996519 542885352 /nfs/dbraw/zinc/88/53/52/542885352.db2.gz WISHZLWNYCSWIP-GXSJLCMTSA-N -1 1 251.301 2.697 20 0 CFADMM CCC(F)(F)C(C)(C)CN=c1nc(COC)[n-]s1 ZINC000528182148 394399569 /nfs/dbraw/zinc/39/95/69/394399569.db2.gz JPDVBIUJBHNESC-UHFFFAOYSA-N -1 1 279.356 2.590 20 0 CFADMM CCCS(=O)(=O)[N-]c1n[nH]c(C)c1-c1ccc(C)cc1 ZINC000530157341 394461675 /nfs/dbraw/zinc/46/16/75/394461675.db2.gz SLWOXXWAAVTABP-UHFFFAOYSA-N -1 1 293.392 2.845 20 0 CFADMM Cc1cccc([C@@H]2CCCN2Cc2cnc(C(=O)[O-])cn2)c1 ZINC000530162908 394463740 /nfs/dbraw/zinc/46/37/40/394463740.db2.gz SXQNRERPWLHTJO-INIZCTEOSA-N -1 1 297.358 2.820 20 0 CFADMM CCN(Cc1cnc(C(=O)[O-])cn1)Cc1ccccc1C ZINC000530163398 394463934 /nfs/dbraw/zinc/46/39/34/394463934.db2.gz XLETZJDUCZLXBM-UHFFFAOYSA-N -1 1 285.347 2.505 20 0 CFADMM Cc1nc(C)c(CN2CCc3occc3[C@H]2C(=O)[O-])s1 ZINC000530165201 394464945 /nfs/dbraw/zinc/46/49/45/394464945.db2.gz FFRJJKMJMLGPCY-ZDUSSCGKSA-N -1 1 292.360 2.537 20 0 CFADMM CC(C)(C)c1nnc(C(=O)Nc2cccc(F)c2[O-])s1 ZINC000530005112 394441327 /nfs/dbraw/zinc/44/13/27/394441327.db2.gz IGMILCXCIVMFJC-UHFFFAOYSA-N -1 1 295.339 2.933 20 0 CFADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530003539 394441387 /nfs/dbraw/zinc/44/13/87/394441387.db2.gz ARPAROIANIEVNR-JXVAYASWSA-N -1 1 267.300 2.529 20 0 CFADMM CC[C@H]1C[C@@H](C(=O)Nc2cccc(F)c2[O-])CCO1 ZINC000530005980 394441828 /nfs/dbraw/zinc/44/18/28/394441828.db2.gz QGGKBHNHKDAFDL-UWVGGRQHSA-N -1 1 267.300 2.675 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnc2ccccn12 ZINC000541887551 394688578 /nfs/dbraw/zinc/68/85/78/394688578.db2.gz JKUYDGQWPOQSIE-UHFFFAOYSA-N -1 1 287.706 2.946 20 0 CFADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]2CCCC[C@H]12 ZINC000547971723 394900747 /nfs/dbraw/zinc/90/07/47/394900747.db2.gz JMTFEYKWCZIBNA-JHJVBQTASA-N -1 1 274.364 2.828 20 0 CFADMM C[C@@H](c1nc(C(C)(C)C)no1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000569108622 395084547 /nfs/dbraw/zinc/08/45/47/395084547.db2.gz NVEYTALIWQFWOM-BONVTDFDSA-N -1 1 295.383 2.615 20 0 CFADMM C[C@H](c1nc(C(C)(C)C)no1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000569108621 395084596 /nfs/dbraw/zinc/08/45/96/395084596.db2.gz NVEYTALIWQFWOM-BMIGLBTASA-N -1 1 295.383 2.615 20 0 CFADMM Cc1noc(C2CC2)c1[N-]C(=O)c1cnc(C2CC2)o1 ZINC000640111616 395150424 /nfs/dbraw/zinc/15/04/24/395150424.db2.gz HVDWQBKTWDPAOO-UHFFFAOYSA-N -1 1 273.292 2.978 20 0 CFADMM CCC(=O)c1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000178520188 543002594 /nfs/dbraw/zinc/00/25/94/543002594.db2.gz KSIXTWCGCBATMP-UHFFFAOYSA-N -1 1 270.288 2.632 20 0 CFADMM C[C@H]1CC[N@H+](Cc2cccc([O-])c2Cl)C[C@@H]1C(=O)[O-] ZINC000647461646 395343835 /nfs/dbraw/zinc/34/38/35/395343835.db2.gz VBNWGRRECPHJLH-ONGXEEELSA-N -1 1 283.755 2.588 20 0 CFADMM C[C@H]1CC[N@@H+](Cc2cccc([O-])c2Cl)C[C@@H]1C(=O)[O-] ZINC000647461646 395343839 /nfs/dbraw/zinc/34/38/39/395343839.db2.gz VBNWGRRECPHJLH-ONGXEEELSA-N -1 1 283.755 2.588 20 0 CFADMM CC(C)c1cnc(CN2CCC(C)(C(=O)[O-])CC2)s1 ZINC000647464270 395344662 /nfs/dbraw/zinc/34/46/62/395344662.db2.gz FTASQNALVAWODD-UHFFFAOYSA-N -1 1 282.409 2.953 20 0 CFADMM Cc1cnc(C(=O)N2CCCC[C@@H]2C2CCC2)c([O-])c1 ZINC000649196671 395450228 /nfs/dbraw/zinc/45/02/28/395450228.db2.gz SPABZFBUMRJQHD-CYBMUJFWSA-N -1 1 274.364 2.890 20 0 CFADMM CC(C)Cn1nccc1CNCc1ccc(C(=O)[O-])cc1 ZINC000647646226 395405226 /nfs/dbraw/zinc/40/52/26/395405226.db2.gz YYTASSZXCXCMPG-UHFFFAOYSA-N -1 1 287.363 2.527 20 0 CFADMM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000649099045 395427378 /nfs/dbraw/zinc/42/73/78/395427378.db2.gz 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QGGGUDCPNHLYCE-UHFFFAOYSA-N -1 1 272.352 2.609 20 0 CFADMM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc(F)c(F)c(F)c1 ZINC000650793453 413163687 /nfs/dbraw/zinc/16/36/87/413163687.db2.gz ARASVYBKXQKHHD-RDDDGLTNSA-N -1 1 273.254 2.541 20 0 CFADMM C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cc2cc(Cl)cnc2o1 ZINC000650796385 413168414 /nfs/dbraw/zinc/16/84/14/413168414.db2.gz SYIRLXMQWDIOAZ-PRHODGIISA-N -1 1 294.738 2.919 20 0 CFADMM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc2cc(Cl)cnc2o1 ZINC000650796385 413168420 /nfs/dbraw/zinc/16/84/20/413168420.db2.gz SYIRLXMQWDIOAZ-PRHODGIISA-N -1 1 294.738 2.919 20 0 CFADMM C[C@H](CCc1ccco1)NC(=O)c1c([O-])cccc1F ZINC000228833858 397624770 /nfs/dbraw/zinc/62/47/70/397624770.db2.gz WSJFBVFSBXANBR-SNVBAGLBSA-N -1 1 277.295 2.875 20 0 CFADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C2(CCC2)CO1 ZINC000650735668 397873165 /nfs/dbraw/zinc/87/31/65/397873165.db2.gz UZYCHEJASKTZIC-SNVBAGLBSA-N -1 1 295.766 2.829 20 0 CFADMM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2)C2(CCC2)CO1 ZINC000650804808 413178879 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1 273.361 2.999 20 0 CFADMM O=C(/C=C/C1CC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000366319039 527593744 /nfs/dbraw/zinc/59/37/44/527593744.db2.gz AWPDHGVGWACGKB-FPYGCLRLSA-N -1 1 299.370 2.780 20 0 CFADMM O=C([O-])C[C@H]1CCCCN1Cc1ccc(F)cc1F ZINC000050885396 527634558 /nfs/dbraw/zinc/63/45/58/527634558.db2.gz WTBCSALPNVRSDQ-GFCCVEGCSA-N -1 1 269.291 2.794 20 0 CFADMM O=C([O-])[C@@H](NCc1cccc(F)c1F)c1ccccc1 ZINC000050511837 527654772 /nfs/dbraw/zinc/65/47/72/527654772.db2.gz VCNVUSMJTWFXGD-AWEZNQCLSA-N -1 1 277.270 2.880 20 0 CFADMM CCCN(CC(=O)[O-])Cc1cc2cc(F)ccc2o1 ZINC000414688274 527899294 /nfs/dbraw/zinc/89/92/94/527899294.db2.gz YGTIWDYEZOAMMG-UHFFFAOYSA-N -1 1 265.284 2.869 20 0 CFADMM CCO[C@H]1C[C@@H](N=c2[n-]c(C(F)(F)F)cs2)C1 ZINC000413382798 528074322 /nfs/dbraw/zinc/07/43/22/528074322.db2.gz AEJXGCLBDWHGSX-KNVOCYPGSA-N -1 1 266.288 2.563 20 0 CFADMM CCC[C@H](CCO)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000176156077 528125071 /nfs/dbraw/zinc/12/50/71/528125071.db2.gz TVEDOJOOWAMFAV-SNVBAGLBSA-N -1 1 285.771 2.574 20 0 CFADMM CCCCOC1CCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000427235270 528570157 /nfs/dbraw/zinc/57/01/57/528570157.db2.gz UYKSORCVLZZOSJ-UHFFFAOYSA-N -1 1 292.379 2.517 20 0 CFADMM CCOCCC1(CNC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000162576135 528629707 /nfs/dbraw/zinc/62/97/07/528629707.db2.gz GKYBFUASGLPJAR-UHFFFAOYSA-N -1 1 297.782 2.982 20 0 CFADMM CCCC[C@H](CCC)NC(=O)c1cncc([O-])c1 ZINC000175000529 528926409 /nfs/dbraw/zinc/92/64/09/528926409.db2.gz PAJZFLZWXBQNMX-LBPRGKRZSA-N -1 1 250.342 2.876 20 0 CFADMM CCC[C@@H](CCO)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000176156061 528935863 /nfs/dbraw/zinc/93/58/63/528935863.db2.gz TVEDOJOOWAMFAV-JTQLQIEISA-N -1 1 285.771 2.574 20 0 CFADMM CCN(C(=O)c1ncc(C)cc1[O-])[C@@H](C)c1cccnc1 ZINC000427465159 529103656 /nfs/dbraw/zinc/10/36/56/529103656.db2.gz LMBGDJMAUKVEMI-LBPRGKRZSA-N -1 1 285.347 2.714 20 0 CFADMM CC[C@H](C)[C@](C)(O)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000156858870 529269803 /nfs/dbraw/zinc/26/98/03/529269803.db2.gz JIJSGAPYUGMOTC-LKFCYVNXSA-N -1 1 285.771 2.573 20 0 CFADMM CCc1cc(=O)[n-]c(SCc2ncc(C3CC3)o2)n1 ZINC000436196653 536154251 /nfs/dbraw/zinc/15/42/51/536154251.db2.gz WFSYXZYOPURFDS-UHFFFAOYSA-N -1 1 277.349 2.902 20 0 CFADMM CCC[C@@H](CC)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736422468 574050509 /nfs/dbraw/zinc/05/05/09/574050509.db2.gz LTWYZEMQWKZOHL-MRVPVSSYSA-N -1 1 280.763 2.906 20 0 CFADMM CCC[C@@H](CC)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736422468 574050510 /nfs/dbraw/zinc/05/05/10/574050510.db2.gz LTWYZEMQWKZOHL-MRVPVSSYSA-N -1 1 280.763 2.906 20 0 CFADMM CCC[C@@H](CC)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736424684 574050802 /nfs/dbraw/zinc/05/08/02/574050802.db2.gz RFNGRHZGSDHQJN-SNVBAGLBSA-N -1 1 297.366 2.801 20 0 CFADMM CCC[C@@H](CC)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736424684 574050803 /nfs/dbraw/zinc/05/08/03/574050803.db2.gz RFNGRHZGSDHQJN-SNVBAGLBSA-N -1 1 297.366 2.801 20 0 CFADMM CCCCCC[C@@H](CC)C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000736444574 574054899 /nfs/dbraw/zinc/05/48/99/574054899.db2.gz HLUFYHVKJTUFEF-CHWSQXEVSA-N -1 1 295.431 2.758 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCC1=CCCC1 ZINC000753690692 574072596 /nfs/dbraw/zinc/07/25/96/574072596.db2.gz GJCXEKUGVHRNIL-UHFFFAOYSA-N -1 1 289.379 2.844 20 0 CFADMM C[C@H]1CCCCCN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000736786162 574074516 /nfs/dbraw/zinc/07/45/16/574074516.db2.gz ZUODMLCDGJTXCM-JTQLQIEISA-N -1 1 296.392 2.649 20 0 CFADMM CC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730358427 574077064 /nfs/dbraw/zinc/07/70/64/574077064.db2.gz AJBCHEYGRHYSJI-ZCFIWIBFSA-N -1 1 277.103 2.833 20 0 CFADMM CC[C@@H](C(=O)Oc1cc(C(=O)[O-])ccc1C)N(CC)CC ZINC000736859501 574082117 /nfs/dbraw/zinc/08/21/17/574082117.db2.gz AUAUIOFIIBKKPC-ZDUSSCGKSA-N -1 1 293.363 2.719 20 0 CFADMM CCc1noc([C@@H](C)OC(=O)c2c([O-])cc(F)cc2F)n1 ZINC000744879765 574091523 /nfs/dbraw/zinc/09/15/23/574091523.db2.gz FRKCYDPRWQHUTD-ZCFIWIBFSA-N -1 1 298.245 2.534 20 0 CFADMM O=C([O-])N[C@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000738652282 574097285 /nfs/dbraw/zinc/09/72/85/574097285.db2.gz BZIHXZDNTGNKSH-NSHDSACASA-N -1 1 289.310 2.610 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)C(C)C)c1 ZINC000745025594 574097672 /nfs/dbraw/zinc/09/76/72/574097672.db2.gz JKPMKNIAGRKWQV-NSHDSACASA-N -1 1 278.348 2.973 20 0 CFADMM O=C(/C=C\C1CC1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000745555342 574117188 /nfs/dbraw/zinc/11/71/88/574117188.db2.gz UOZGANIHFWJMCZ-UTCJRWHESA-N -1 1 286.283 2.508 20 0 CFADMM CCC(CC)OC(=O)c1ccc2c(C=O)[nH]nc2c1 ZINC000754866268 574125897 /nfs/dbraw/zinc/12/58/97/574125897.db2.gz IJHUSMYYIRGRPN-UHFFFAOYSA-N -1 1 260.293 2.721 20 0 CFADMM Cc1cccc([C@H](C)CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000737389438 574138602 /nfs/dbraw/zinc/13/86/02/574138602.db2.gz OPCVHMOOLFUBGB-GFCCVEGCSA-N -1 1 294.362 2.786 20 0 CFADMM Cc1cccc([C@H](C)CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000737389438 574138603 /nfs/dbraw/zinc/13/86/03/574138603.db2.gz OPCVHMOOLFUBGB-GFCCVEGCSA-N -1 1 294.362 2.786 20 0 CFADMM CC[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000732303034 574149486 /nfs/dbraw/zinc/14/94/86/574149486.db2.gz ZKHHEUZNMOVVSP-VHSXEESVSA-N -1 1 283.755 2.685 20 0 CFADMM CC(C)Oc1ccc(CN2CCC[C@H](NC(=O)[O-])C2)cc1 ZINC000737644551 574151653 /nfs/dbraw/zinc/15/16/53/574151653.db2.gz XLGDDFCTLMNUGL-AWEZNQCLSA-N -1 1 292.379 2.706 20 0 CFADMM Cc1nc(C2(NCCCCC(=O)[O-])CCCCCC2)no1 ZINC000738350979 574166105 /nfs/dbraw/zinc/16/61/05/574166105.db2.gz OPQFEGDMJDIUJT-UHFFFAOYSA-N -1 1 295.383 2.772 20 0 CFADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1ccon1 ZINC000747155472 574182371 /nfs/dbraw/zinc/18/23/71/574182371.db2.gz MAJAXHSYYQJBNO-UHFFFAOYSA-N -1 1 278.337 2.826 20 0 CFADMM CC[C@@H](C)c1ccc(C(=O)Nc2ccncc2[O-])cc1 ZINC000755785297 574187844 /nfs/dbraw/zinc/18/78/44/574187844.db2.gz IIGBVPONERMCGV-LLVKDONJSA-N -1 1 270.332 2.975 20 0 CFADMM CC[C@H](C)CN(C)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747388263 574193844 /nfs/dbraw/zinc/19/38/44/574193844.db2.gz CNCGNLNJYADZIE-JTQLQIEISA-N -1 1 279.384 2.732 20 0 CFADMM C[C@H]1C[C@@H]1c1ccc(CNC(C)(C)CNC(=O)[O-])o1 ZINC000739089366 574197655 /nfs/dbraw/zinc/19/76/55/574197655.db2.gz KEEOHNOVPGPQIO-ONGXEEELSA-N -1 1 266.341 2.539 20 0 CFADMM CCN(CC)[C@@H](CNC(=O)[O-])c1ccccc1Cl ZINC000739406841 574212482 /nfs/dbraw/zinc/21/24/82/574212482.db2.gz HLPAVBSMMFNCIE-LBPRGKRZSA-N -1 1 270.760 2.991 20 0 CFADMM Cc1noc(C)c1CCOC(=O)c1c([O-])cc(F)cc1F ZINC000756187588 574215625 /nfs/dbraw/zinc/21/56/25/574215625.db2.gz RHZBNPUBBHWNNP-UHFFFAOYSA-N -1 1 297.257 2.675 20 0 CFADMM CCOC[C@H]1CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000747945413 574221611 /nfs/dbraw/zinc/22/16/11/574221611.db2.gz YXPPXSSGCIKXIP-JTQLQIEISA-N -1 1 283.755 2.544 20 0 CFADMM Cc1cc(C[N@@H+]2CCN(C(=O)[O-])C[C@H]2C)c2ccccc2n1 ZINC000740073561 574235022 /nfs/dbraw/zinc/23/50/22/574235022.db2.gz PLTCXJWOCCKQNE-CYBMUJFWSA-N -1 1 299.374 2.727 20 0 CFADMM Cc1cc(CN2CCN(C(=O)[O-])C[C@H]2C)c2ccccc2n1 ZINC000740073561 574235024 /nfs/dbraw/zinc/23/50/24/574235024.db2.gz PLTCXJWOCCKQNE-CYBMUJFWSA-N -1 1 299.374 2.727 20 0 CFADMM O=C([O-])Nc1ccc(NC(=O)c2cccc3cn[nH]c32)cc1 ZINC000740711525 574264034 /nfs/dbraw/zinc/26/40/34/574264034.db2.gz DZBXTXALPKCYDY-UHFFFAOYSA-N -1 1 296.286 2.905 20 0 CFADMM O=C([N-]Cc1ccco1)C(F)(F)c1c(F)cccc1F ZINC000756846801 574268115 /nfs/dbraw/zinc/26/81/15/574268115.db2.gz MJQLEOABIDQDCK-UHFFFAOYSA-N -1 1 287.212 2.966 20 0 CFADMM O=C(NCc1cccc(F)n1)c1ccc(Cl)cc1[O-] ZINC000749167213 574283395 /nfs/dbraw/zinc/28/33/95/574283395.db2.gz SHHMJGZXEVDRIM-UHFFFAOYSA-N -1 1 280.686 2.510 20 0 CFADMM Cc1ccc2c(c1C)OC[C@@H]2[N-]C(=O)C(F)(F)C(F)F ZINC000749376499 574292183 /nfs/dbraw/zinc/29/21/83/574292183.db2.gz ZHTLPDCWPHENTB-VIFPVBQESA-N -1 1 291.244 2.754 20 0 CFADMM C[C@@H]1Cc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000749388077 574292402 /nfs/dbraw/zinc/29/24/02/574292402.db2.gz PRQLINRDCBBKRN-GMSGAONNSA-N -1 1 275.245 2.937 20 0 CFADMM CC1(C)CN(C(=O)c2c([O-])cccc2Cl)CCCO1 ZINC000735327257 574321150 /nfs/dbraw/zinc/32/11/50/574321150.db2.gz WXTFLUISOSIUKJ-UHFFFAOYSA-N -1 1 283.755 2.687 20 0 CFADMM CC(C)[C@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000735703141 574333714 /nfs/dbraw/zinc/33/37/14/574333714.db2.gz RVHDHUFGWXADOQ-ZCFIWIBFSA-N -1 1 286.792 2.681 20 0 CFADMM CC(C)[C@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000735703141 574333715 /nfs/dbraw/zinc/33/37/15/574333715.db2.gz RVHDHUFGWXADOQ-ZCFIWIBFSA-N -1 1 286.792 2.681 20 0 CFADMM C[C@H]1CCCC[C@H]1CCNc1cccc(-c2nnn[n-]2)n1 ZINC000736273906 574358971 /nfs/dbraw/zinc/35/89/71/574358971.db2.gz SWQMRRAJXPQTJJ-RYUDHWBXSA-N -1 1 286.383 2.890 20 0 CFADMM C[C@H]1CCCC[C@H]1CCNc1cccc(-c2nn[n-]n2)n1 ZINC000736273906 574358973 /nfs/dbraw/zinc/35/89/73/574358973.db2.gz SWQMRRAJXPQTJJ-RYUDHWBXSA-N -1 1 286.383 2.890 20 0 CFADMM O=C(N[C@@H]1CCCC1(F)F)c1ccc(Cl)cc1[O-] ZINC000398332078 574364677 /nfs/dbraw/zinc/36/46/77/574364677.db2.gz NSUYHLUUIASQNP-SNVBAGLBSA-N -1 1 275.682 2.963 20 0 CFADMM CC(C)c1ccc(CN2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000827124027 601440964 /nfs/dbraw/zinc/44/09/64/601440964.db2.gz GPECRQMVMLIGAX-HNNXBMFYSA-N -1 1 265.328 2.809 20 0 CFADMM Cc1ccc(CC[C@H](C)Nc2cccc(-c3nnn[n-]3)n2)o1 ZINC000822236141 599065371 /nfs/dbraw/zinc/06/53/71/599065371.db2.gz LLNXZIHPGRAVOX-JTQLQIEISA-N -1 1 298.350 2.596 20 0 CFADMM Cc1ccc(CC[C@H](C)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC000822236141 599065374 /nfs/dbraw/zinc/06/53/74/599065374.db2.gz LLNXZIHPGRAVOX-JTQLQIEISA-N -1 1 298.350 2.596 20 0 CFADMM CN(C(=O)c1cnc(C2CC2)[n-]c1=O)C1CCCCCC1 ZINC000900097622 620637761 /nfs/dbraw/zinc/63/77/61/620637761.db2.gz KPUYLAIBPVHJRH-UHFFFAOYSA-N -1 1 289.379 2.854 20 0 CFADMM O=C([O-])C[C@H]1CCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000069997007 597146273 /nfs/dbraw/zinc/14/62/73/597146273.db2.gz OTUZFJDYTIJHOJ-CYBMUJFWSA-N -1 1 291.395 2.685 20 0 CFADMM Cc1ccccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000822362451 607308479 /nfs/dbraw/zinc/30/84/79/607308479.db2.gz UETJPCIQODQCMN-UHFFFAOYSA-N -1 1 271.349 2.849 20 0 CFADMM Fc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822791684 607308670 /nfs/dbraw/zinc/30/86/70/607308670.db2.gz KYRGNZIDEOVXER-UHFFFAOYSA-N -1 1 275.312 2.679 20 0 CFADMM CO[C@H](C)c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821673685 607315983 /nfs/dbraw/zinc/31/59/83/607315983.db2.gz IZGJYBUMENGQCB-SNVBAGLBSA-N -1 1 299.334 2.779 20 0 CFADMM CO[C@H](C)c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821673685 607315984 /nfs/dbraw/zinc/31/59/84/607315984.db2.gz IZGJYBUMENGQCB-SNVBAGLBSA-N -1 1 299.334 2.779 20 0 CFADMM O=C([O-])CCCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000821524607 597752306 /nfs/dbraw/zinc/75/23/06/597752306.db2.gz DTYGXYVMDZFZDM-CMDGGOBGSA-N -1 1 289.360 2.932 20 0 CFADMM O=C([O-])CCCCN1CCCC[C@H]1c1nccs1 ZINC000262235141 597773425 /nfs/dbraw/zinc/77/34/25/597773425.db2.gz MYTJUSAUKSDUAN-NSHDSACASA-N -1 1 268.382 2.925 20 0 CFADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1cncs1 ZINC000820148682 598192149 /nfs/dbraw/zinc/19/21/49/598192149.db2.gz RJMDGTOYWZUANA-SECBINFHSA-N -1 1 262.334 2.692 20 0 CFADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccccn1 ZINC000235215106 598192175 /nfs/dbraw/zinc/19/21/75/598192175.db2.gz SDBNZKWAASFDLP-LLVKDONJSA-N -1 1 256.305 2.631 20 0 CFADMM Cc1ccc([C@H](C)N[C@@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000821070007 598197297 /nfs/dbraw/zinc/19/72/97/598197297.db2.gz NOODNXJTHGAYDJ-JSGCOSHPSA-N -1 1 273.332 2.935 20 0 CFADMM Cc1ccn2cc(CNCc3cccc(C(=O)[O-])c3)nc2c1 ZINC000821130911 598203334 /nfs/dbraw/zinc/20/33/34/598203334.db2.gz OSHNIXDRLQOIGI-UHFFFAOYSA-N -1 1 295.342 2.631 20 0 CFADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900142907 620642106 /nfs/dbraw/zinc/64/21/06/620642106.db2.gz XZGITSDTYCEYHC-ZYHUDNBSSA-N -1 1 289.379 2.710 20 0 CFADMM c1ccc2cc(Oc3nccnc3-c3nn[n-]n3)ccc2c1 ZINC000095251208 598335986 /nfs/dbraw/zinc/33/59/86/598335986.db2.gz TWCYPSKFOZIENZ-UHFFFAOYSA-N -1 1 290.286 2.602 20 0 CFADMM Cc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1C ZINC000822323437 599410320 /nfs/dbraw/zinc/41/03/20/599410320.db2.gz GXRVLEUBHATHCN-UHFFFAOYSA-N -1 1 269.308 2.689 20 0 CFADMM Cc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1C ZINC000822323437 599410323 /nfs/dbraw/zinc/41/03/23/599410323.db2.gz GXRVLEUBHATHCN-UHFFFAOYSA-N -1 1 269.308 2.689 20 0 CFADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000095262575 599420007 /nfs/dbraw/zinc/42/00/07/599420007.db2.gz VONDNGAAZYRNDI-LBPRGKRZSA-N -1 1 280.335 2.825 20 0 CFADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000095262575 599420009 /nfs/dbraw/zinc/42/00/09/599420009.db2.gz VONDNGAAZYRNDI-LBPRGKRZSA-N -1 1 280.335 2.825 20 0 CFADMM C[C@@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)C1CC1 ZINC000820276793 599492551 /nfs/dbraw/zinc/49/25/51/599492551.db2.gz ZQNGUXJWWDJECC-JTQLQIEISA-N -1 1 294.362 2.873 20 0 CFADMM C[C@@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)C1CC1 ZINC000820276793 599492553 /nfs/dbraw/zinc/49/25/53/599492553.db2.gz ZQNGUXJWWDJECC-JTQLQIEISA-N -1 1 294.362 2.873 20 0 CFADMM Cc1[nH]c(C(=O)CN2C[C@H](C)CC[C@H]2C)c(C)c1C(=O)[O-] ZINC000832843824 601051970 /nfs/dbraw/zinc/05/19/70/601051970.db2.gz HKRXLHAOLDNUPK-NXEZZACHSA-N -1 1 292.379 2.633 20 0 CFADMM C/C(=C/CN1CCC[C@H]1c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000825741523 601164237 /nfs/dbraw/zinc/16/42/37/601164237.db2.gz OTXLSOGAMVGRLX-WDDYJBPVSA-N -1 1 297.786 2.550 20 0 CFADMM Cc1noc(C)c1CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000833020707 601204491 /nfs/dbraw/zinc/20/44/91/601204491.db2.gz ACHFGWJRKMZSPO-ZUZCIYMTSA-N -1 1 288.347 2.843 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@]12CCO[C@@H]1CCCC2 ZINC000935597955 649920723 /nfs/dbraw/zinc/92/07/23/649920723.db2.gz KLPBFOPIWKWEKE-QMTHXVAHSA-N -1 1 296.754 2.728 20 0 CFADMM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262645599 601305116 /nfs/dbraw/zinc/30/51/16/601305116.db2.gz IIHMQTXAHWZOOG-GHMZBOCLSA-N -1 1 280.368 2.830 20 0 CFADMM CC(C)[C@H]1C[C@@H](C(=O)Nc2nc(Cl)ccc2[O-])CCO1 ZINC000935597458 649920942 /nfs/dbraw/zinc/92/09/42/649920942.db2.gz FHQPKMKOYHDKBQ-GXSJLCMTSA-N -1 1 298.770 2.830 20 0 CFADMM CC[C@H]1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000829126392 601497867 /nfs/dbraw/zinc/49/78/67/601497867.db2.gz YHYTVFZALANYBY-NEPJUHHUSA-N -1 1 292.379 2.633 20 0 CFADMM O=C([O-])C[C@H]1CCCCN1Cc1nc2cc(F)ccc2o1 ZINC000833206939 601621321 /nfs/dbraw/zinc/62/13/21/601621321.db2.gz FLGDSZNOGSEBHG-LLVKDONJSA-N -1 1 292.310 2.796 20 0 CFADMM O=C([O-])c1cc(CN[C@H]2CSc3ccccc32)c[nH]1 ZINC000833296613 601834711 /nfs/dbraw/zinc/83/47/11/601834711.db2.gz MFXXVIOTVZYRRY-LBPRGKRZSA-N -1 1 274.345 2.650 20 0 CFADMM CC1CN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])C1 ZINC000935667152 649927985 /nfs/dbraw/zinc/92/79/85/649927985.db2.gz OZEYIVNBOBRSHJ-UHFFFAOYSA-N -1 1 285.299 2.557 20 0 CFADMM CC[C@@H](C)CSCc1ccnc(-c2nnn[n-]2)c1 ZINC000825068050 607550461 /nfs/dbraw/zinc/55/04/61/607550461.db2.gz OVRGWJFIELAUBV-SECBINFHSA-N -1 1 263.370 2.541 20 0 CFADMM CC[C@@H](C)CSCc1ccnc(-c2nn[n-]n2)c1 ZINC000825068050 607550462 /nfs/dbraw/zinc/55/04/62/607550462.db2.gz OVRGWJFIELAUBV-SECBINFHSA-N -1 1 263.370 2.541 20 0 CFADMM CC(C)Oc1ccccc1CN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000824424686 603491099 /nfs/dbraw/zinc/49/10/99/603491099.db2.gz FCDKPXJVOFXEDH-CQSZACIVSA-N -1 1 292.379 2.658 20 0 CFADMM COc1ccc(Cl)cc1CN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000829404363 603502049 /nfs/dbraw/zinc/50/20/49/603502049.db2.gz LWXIRZFHRGPGPD-GFCCVEGCSA-N -1 1 298.770 2.533 20 0 CFADMM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736763293 603752620 /nfs/dbraw/zinc/75/26/20/603752620.db2.gz WDPMNBXPUGOMOV-GHMZBOCLSA-N -1 1 291.351 2.588 20 0 CFADMM CC(C)[C@H](CCN(C)Cc1cccc(Cl)n1)NC(=O)[O-] ZINC000824104360 603823161 /nfs/dbraw/zinc/82/31/61/603823161.db2.gz FNKJCYAGXZDHLM-LBPRGKRZSA-N -1 1 299.802 2.849 20 0 CFADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000825265454 604169464 /nfs/dbraw/zinc/16/94/64/604169464.db2.gz RXIRZHAMRVQEEJ-CMPLNLGQSA-N -1 1 298.333 2.833 20 0 CFADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cccc(Cl)n2)C1 ZINC000825264541 604203943 /nfs/dbraw/zinc/20/39/43/604203943.db2.gz LJCOGRYXFQYKRS-WDEREUQCSA-N -1 1 297.786 2.603 20 0 CFADMM C[C@@H](N[C@H]1CCN(C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000825478117 604318844 /nfs/dbraw/zinc/31/88/44/604318844.db2.gz DOOIJUFUBNSYAV-ZJUUUORDSA-N -1 1 291.376 2.699 20 0 CFADMM C[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)o2)C1 ZINC000901698238 620898103 /nfs/dbraw/zinc/89/81/03/620898103.db2.gz GQAAPBWYIHANDH-GFCCVEGCSA-N -1 1 257.717 2.620 20 0 CFADMM O=C([O-])c1cc(CN2CC[C@@H]2c2ccccc2)c[nH]1 ZINC000833296593 604476715 /nfs/dbraw/zinc/47/67/15/604476715.db2.gz KGMJYQFEKFOGSM-CQSZACIVSA-N -1 1 256.305 2.660 20 0 CFADMM O=C([O-])[C@@H]1CCCN1Cc1cc(C(F)(F)F)ccc1F ZINC000263430430 604527601 /nfs/dbraw/zinc/52/76/01/604527601.db2.gz RWUWXUNDHNTNAI-NSHDSACASA-N -1 1 291.244 2.894 20 0 CFADMM CC(C)N(CCC(=O)[O-])Cc1c(F)cccc1F ZINC000086748451 604643049 /nfs/dbraw/zinc/64/30/49/604643049.db2.gz OMCGASNRCTXGDW-UHFFFAOYSA-N -1 1 257.280 2.650 20 0 CFADMM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(Cl)o1)CC2 ZINC000833771745 604648462 /nfs/dbraw/zinc/64/84/62/604648462.db2.gz OMNCZUIUNXBGIF-JTQLQIEISA-N -1 1 269.728 2.620 20 0 CFADMM CC(C)c1cn(CN2CCC[C@H]2CC(=O)[O-])c(=S)n1C ZINC000827139044 604974943 /nfs/dbraw/zinc/97/49/43/604974943.db2.gz DCEPDYJNWKIYID-NSHDSACASA-N -1 1 297.424 2.576 20 0 CFADMM C[C@@H](c1ccc(Cl)cc1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833547115 604980126 /nfs/dbraw/zinc/98/01/26/604980126.db2.gz ANRZTLVBWOMYJZ-IINYFYTJSA-N -1 1 297.782 2.559 20 0 CFADMM C[C@@H](c1ccc(Cl)cc1)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833547114 604980419 /nfs/dbraw/zinc/98/04/19/604980419.db2.gz ANRZTLVBWOMYJZ-HZMBPMFUSA-N -1 1 297.782 2.559 20 0 CFADMM Cc1nc(C(C)C)sc1[C@@H](C)NC1CN(C(=O)[O-])C1 ZINC000830709824 605099194 /nfs/dbraw/zinc/09/91/94/605099194.db2.gz TUMVKNRMCHTFMI-MRVPVSSYSA-N -1 1 283.397 2.588 20 0 CFADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])[nH]2)Cc2ccccc21 ZINC000833630554 605102038 /nfs/dbraw/zinc/10/20/38/605102038.db2.gz VDODFYDDBDLZSQ-NSHDSACASA-N -1 1 270.332 2.832 20 0 CFADMM CC(C)N(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccco1 ZINC000833496243 605103203 /nfs/dbraw/zinc/10/32/03/605103203.db2.gz BBCITORQZYXCFP-UHFFFAOYSA-N -1 1 262.309 2.717 20 0 CFADMM C[C@@H](c1nc2ccccc2o1)N1CCC(C(=O)[O-])CC1 ZINC000820199648 605318552 /nfs/dbraw/zinc/31/85/52/605318552.db2.gz CVUQVHUMBWKJBL-JTQLQIEISA-N -1 1 274.320 2.685 20 0 CFADMM CCC[C@@H](C(=O)Nc1ccc(NC(=O)[O-])c(F)c1)N(C)C ZINC000833647960 605318854 /nfs/dbraw/zinc/31/88/54/605318854.db2.gz MMXGQLVOSBBIRP-LBPRGKRZSA-N -1 1 297.330 2.584 20 0 CFADMM CC1=C(C(=O)[O-])C[C@H](CN2Cc3ccccc3[C@H]2C)O1 ZINC000833580104 605346508 /nfs/dbraw/zinc/34/65/08/605346508.db2.gz PJCVDCUGSCTAMJ-ZWNOBZJWSA-N -1 1 273.332 2.711 20 0 CFADMM COC(C)(C)CN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833718600 605359063 /nfs/dbraw/zinc/35/90/63/605359063.db2.gz NYULOOSKWUBBBP-NSHDSACASA-N -1 1 289.734 2.619 20 0 CFADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C/C(Cl)=C/Cl)C[C@@H]21 ZINC000834189560 605433402 /nfs/dbraw/zinc/43/34/02/605433402.db2.gz UWOJVOBYMVLDGD-OOGMHQNRSA-N -1 1 293.194 2.674 20 0 CFADMM CN(Cc1ccc(F)cc1)Cc1ccc(NC(=O)[O-])nc1 ZINC000833874259 605460433 /nfs/dbraw/zinc/46/04/33/605460433.db2.gz FSJMXTMGLINPBI-UHFFFAOYSA-N -1 1 289.310 2.943 20 0 CFADMM Cc1nc([C@@H](C)N[C@H](CNC(=O)[O-])CC(C)C)cs1 ZINC000830708764 605479048 /nfs/dbraw/zinc/47/90/48/605479048.db2.gz CSKDZCJTJOEMLK-KOLCDFICSA-N -1 1 285.413 2.784 20 0 CFADMM C[C@H](Oc1ccc(CN2CC[C@@H](C)[C@H](F)C2)cc1)C(=O)[O-] ZINC000833541494 605491214 /nfs/dbraw/zinc/49/12/14/605491214.db2.gz NCTJUHDIOSRHPB-TYNCELHUSA-N -1 1 295.354 2.718 20 0 CFADMM Cc1nc([C@H](C)NC[C@H](NC(=O)[O-])C(C)C)c(C)s1 ZINC000830709490 605504664 /nfs/dbraw/zinc/50/46/64/605504664.db2.gz JZZGEHPLGPQLDO-KWQFWETISA-N -1 1 285.413 2.703 20 0 CFADMM O=C([O-])NCCN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000834244193 605516062 /nfs/dbraw/zinc/51/60/62/605516062.db2.gz WVQOQDXLWQMXQO-SNVBAGLBSA-N -1 1 294.248 2.676 20 0 CFADMM O=C([O-])NC1(C(=O)Nc2cccc(Cl)c2O)CCCC1 ZINC000834154136 605540180 /nfs/dbraw/zinc/54/01/80/605540180.db2.gz OLTGQWKPCZGZEX-UHFFFAOYSA-N -1 1 298.726 2.565 20 0 CFADMM Cc1cncc(CN[C@@H]2C[C@@H](NC(=O)[O-])c3ccccc32)c1 ZINC000833913120 605806974 /nfs/dbraw/zinc/80/69/74/605806974.db2.gz YNAGWSNJMJAOPV-HZPDHXFCSA-N -1 1 297.358 2.933 20 0 CFADMM CC1(C)CN(Cc2cc(C(=O)[O-])ccc2F)CCS1 ZINC000231028524 605836845 /nfs/dbraw/zinc/83/68/45/605836845.db2.gz YTHOSPVHYOTDEU-UHFFFAOYSA-N -1 1 283.368 2.851 20 0 CFADMM CCC[C@H]1C[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821040916 606419875 /nfs/dbraw/zinc/41/98/75/606419875.db2.gz VINREKAGOQNRIB-IONNQARKSA-N -1 1 278.747 2.516 20 0 CFADMM CCC[C@H]1C[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821040916 606419877 /nfs/dbraw/zinc/41/98/77/606419877.db2.gz VINREKAGOQNRIB-IONNQARKSA-N -1 1 278.747 2.516 20 0 CFADMM C[C@@H]1CCCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820703942 606466258 /nfs/dbraw/zinc/46/62/58/606466258.db2.gz KPSPWMXLVQJOBG-SECBINFHSA-N -1 1 292.774 2.684 20 0 CFADMM C[C@@H]1CCCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820703942 606466260 /nfs/dbraw/zinc/46/62/60/606466260.db2.gz KPSPWMXLVQJOBG-SECBINFHSA-N -1 1 292.774 2.684 20 0 CFADMM CC[C@H]1C[C@H](C)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820973466 606470469 /nfs/dbraw/zinc/47/04/69/606470469.db2.gz XMOHWVVEWRFKJV-IUCAKERBSA-N -1 1 292.774 2.540 20 0 CFADMM CC[C@H]1C[C@H](C)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820973466 606470470 /nfs/dbraw/zinc/47/04/70/606470470.db2.gz XMOHWVVEWRFKJV-IUCAKERBSA-N -1 1 292.774 2.540 20 0 CFADMM C[C@H]1CCC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820696559 606488463 /nfs/dbraw/zinc/48/84/63/606488463.db2.gz AUEGSRAIRKIDRT-DTWKUNHWSA-N -1 1 292.364 2.664 20 0 CFADMM C[C@H]1CCC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820696559 606488461 /nfs/dbraw/zinc/48/84/61/606488461.db2.gz AUEGSRAIRKIDRT-DTWKUNHWSA-N -1 1 292.364 2.664 20 0 CFADMM CCCC[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821040842 606926715 /nfs/dbraw/zinc/92/67/15/606926715.db2.gz SYKADSHOGWKSOV-QMMMGPOBSA-N -1 1 280.353 2.664 20 0 CFADMM CCCC[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821040842 606926716 /nfs/dbraw/zinc/92/67/16/606926716.db2.gz SYKADSHOGWKSOV-QMMMGPOBSA-N -1 1 280.353 2.664 20 0 CFADMM CCC[C@@H](CC)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000821015031 607091892 /nfs/dbraw/zinc/09/18/92/607091892.db2.gz MZCPVDRZGRQGRB-MRVPVSSYSA-N -1 1 280.353 2.664 20 0 CFADMM Fc1cccc(COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826377575 607865248 /nfs/dbraw/zinc/86/52/48/607865248.db2.gz XNDXEJIHMCTSOK-UHFFFAOYSA-N -1 1 288.257 2.724 20 0 CFADMM Fc1cccc(COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826377575 607865249 /nfs/dbraw/zinc/86/52/49/607865249.db2.gz XNDXEJIHMCTSOK-UHFFFAOYSA-N -1 1 288.257 2.724 20 0 CFADMM Cc1cc(C)cc(Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826264635 607894902 /nfs/dbraw/zinc/89/49/02/607894902.db2.gz UXUMOTIMJPSAIZ-UHFFFAOYSA-N -1 1 266.308 2.622 20 0 CFADMM Cc1cc(C)cc(Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826264635 607894903 /nfs/dbraw/zinc/89/49/03/607894903.db2.gz UXUMOTIMJPSAIZ-UHFFFAOYSA-N -1 1 266.308 2.622 20 0 CFADMM CSc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000095307673 607895234 /nfs/dbraw/zinc/89/52/34/607895234.db2.gz UVNPLYUXSZJEAK-UHFFFAOYSA-N -1 1 284.348 2.727 20 0 CFADMM CSc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000095307673 607895235 /nfs/dbraw/zinc/89/52/35/607895235.db2.gz UVNPLYUXSZJEAK-UHFFFAOYSA-N -1 1 284.348 2.727 20 0 CFADMM CC(C)CCC[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824243746 607897183 /nfs/dbraw/zinc/89/71/83/607897183.db2.gz NKBRKLCSNNUKFF-LLVKDONJSA-N -1 1 274.372 2.888 20 0 CFADMM CC(C)CCC[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000824243746 607897184 /nfs/dbraw/zinc/89/71/84/607897184.db2.gz NKBRKLCSNNUKFF-LLVKDONJSA-N -1 1 274.372 2.888 20 0 CFADMM CCCCC[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000825268772 607897257 /nfs/dbraw/zinc/89/72/57/607897257.db2.gz XVKMOJQGMNJMIM-SNVBAGLBSA-N -1 1 260.345 2.642 20 0 CFADMM CCCCC[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000825268772 607897258 /nfs/dbraw/zinc/89/72/58/607897258.db2.gz XVKMOJQGMNJMIM-SNVBAGLBSA-N -1 1 260.345 2.642 20 0 CFADMM CCC1CCC(N(C)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000095263634 607900596 /nfs/dbraw/zinc/90/05/96/607900596.db2.gz ZSDMIOHGLNTZSK-UHFFFAOYSA-N -1 1 286.383 2.667 20 0 CFADMM CCC1CCC(N(C)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000095263634 607900597 /nfs/dbraw/zinc/90/05/97/607900597.db2.gz ZSDMIOHGLNTZSK-UHFFFAOYSA-N -1 1 286.383 2.667 20 0 CFADMM CCC[C@H]1[C@H](C)CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000825252113 607901444 /nfs/dbraw/zinc/90/14/44/607901444.db2.gz GEQCNUQKBVXZAS-YPMHNXCESA-N -1 1 286.383 2.667 20 0 CFADMM CCC[C@H]1[C@H](C)CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000825252113 607901445 /nfs/dbraw/zinc/90/14/45/607901445.db2.gz GEQCNUQKBVXZAS-YPMHNXCESA-N -1 1 286.383 2.667 20 0 CFADMM CCC[C@@H]1[C@@H](C)CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000825252112 607901531 /nfs/dbraw/zinc/90/15/31/607901531.db2.gz GEQCNUQKBVXZAS-WCQYABFASA-N -1 1 286.383 2.667 20 0 CFADMM CCC[C@@H]1[C@@H](C)CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000825252112 607901532 /nfs/dbraw/zinc/90/15/32/607901532.db2.gz GEQCNUQKBVXZAS-WCQYABFASA-N -1 1 286.383 2.667 20 0 CFADMM CCC(C)(C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825045200 608170188 /nfs/dbraw/zinc/17/01/88/608170188.db2.gz YFAWLSODHPBIGY-UHFFFAOYSA-N -1 1 272.765 2.577 20 0 CFADMM CCC(C)(C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825045200 608170191 /nfs/dbraw/zinc/17/01/91/608170191.db2.gz YFAWLSODHPBIGY-UHFFFAOYSA-N -1 1 272.765 2.577 20 0 CFADMM Fc1cccc(Oc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826377698 608169020 /nfs/dbraw/zinc/16/90/20/608169020.db2.gz BTVSDKQREYLXOL-UHFFFAOYSA-N -1 1 297.702 2.908 20 0 CFADMM Clc1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000826353406 608449868 /nfs/dbraw/zinc/44/98/68/608449868.db2.gz NRUBJMMVVILXPY-UHFFFAOYSA-N -1 1 275.699 2.725 20 0 CFADMM Clc1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000826353406 608449869 /nfs/dbraw/zinc/44/98/69/608449869.db2.gz NRUBJMMVVILXPY-UHFFFAOYSA-N -1 1 275.699 2.725 20 0 CFADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@H]1CCc2ccccc21 ZINC000826280989 608543878 /nfs/dbraw/zinc/54/38/78/608543878.db2.gz YZKOTUNHWLSSHR-ZDUSSCGKSA-N -1 1 292.346 2.670 20 0 CFADMM CC1(C)CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824804079 608556211 /nfs/dbraw/zinc/55/62/11/608556211.db2.gz ZYTGUWXWBYIWLE-ZCFIWIBFSA-N -1 1 298.803 2.967 20 0 CFADMM CC1(C)CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824804079 608556213 /nfs/dbraw/zinc/55/62/13/608556213.db2.gz ZYTGUWXWBYIWLE-ZCFIWIBFSA-N -1 1 298.803 2.967 20 0 CFADMM CC[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)[C@@H](C)O ZINC000900718889 620704625 /nfs/dbraw/zinc/70/46/25/620704625.db2.gz TWZPWORCSZNFST-RNFRBKRXSA-N -1 1 275.707 2.530 20 0 CFADMM COCc1nc(N2CCC[C@@H]2c2ccccc2)cc(=O)[n-]1 ZINC000891660677 617699363 /nfs/dbraw/zinc/69/93/63/617699363.db2.gz QCGOOYCHVLTLSG-CYBMUJFWSA-N -1 1 285.347 2.670 20 0 CFADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@H]1CCCC12CC2 ZINC000891616519 617686388 /nfs/dbraw/zinc/68/63/88/617686388.db2.gz YAOILDYFUVEGJC-LLVKDONJSA-N -1 1 287.363 2.580 20 0 CFADMM CCC(C)=C(C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891619164 617687971 /nfs/dbraw/zinc/68/79/71/617687971.db2.gz WFGMIMIWNQVUIO-MDZDMXLPSA-N -1 1 275.352 2.746 20 0 CFADMM COCc1nc(N[C@H](c2ccccc2)C2CC2)cc(=O)[n-]1 ZINC000891649512 617696451 /nfs/dbraw/zinc/69/64/51/617696451.db2.gz UYNYTKIPFBVYKS-MRXNPFEDSA-N -1 1 285.347 2.892 20 0 CFADMM CCC/C=C\[C@H](O)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000901163562 620759900 /nfs/dbraw/zinc/75/99/00/620759900.db2.gz VVPJQOSBEWTJQG-RXNFCKPNSA-N -1 1 269.728 2.701 20 0 CFADMM CO[C@@]1(C(=O)Nc2ccc([O-])c(Cl)c2)CCSC1 ZINC000901162226 620759936 /nfs/dbraw/zinc/75/99/36/620759936.db2.gz HLUHBOFZMXGRNX-LBPRGKRZSA-N -1 1 287.768 2.506 20 0 CFADMM COCc1nc(N[C@H]2CCc3cc(C)ccc32)cc(=O)[n-]1 ZINC000891977242 617898020 /nfs/dbraw/zinc/89/80/20/617898020.db2.gz UASDJZZLXFEQPC-ZDUSSCGKSA-N -1 1 285.347 2.736 20 0 CFADMM O=C(N[C@H](c1ccncc1)C1CC1)c1c([O-])cccc1F ZINC000890912124 617944696 /nfs/dbraw/zinc/94/46/96/617944696.db2.gz ZNACYWGFVFCYSM-HNNXBMFYSA-N -1 1 286.306 2.807 20 0 CFADMM O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccs2)C1 ZINC000113388225 618060770 /nfs/dbraw/zinc/06/07/70/618060770.db2.gz QJCDMAHIWMQQFE-JTQLQIEISA-N -1 1 279.283 2.587 20 0 CFADMM O=C1N[C@H](c2cc(F)c([O-])c(F)c2)Nc2ccccc21 ZINC000175926191 618073323 /nfs/dbraw/zinc/07/33/23/618073323.db2.gz TXMVDOTXALDHKJ-CYBMUJFWSA-N -1 1 276.242 2.525 20 0 CFADMM CC(C)(C)O[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)C12CCC2 ZINC000849469884 618139894 /nfs/dbraw/zinc/13/98/94/618139894.db2.gz AYITVWNWBISVPM-IUCAKERBSA-N -1 1 279.302 2.791 20 0 CFADMM Cc1cnccc1CNC(=O)c1c([O-])cccc1Cl ZINC000779341427 618140612 /nfs/dbraw/zinc/14/06/12/618140612.db2.gz ACYIQUGFXAEGJA-UHFFFAOYSA-N -1 1 276.723 2.679 20 0 CFADMM C[C@H]1CC[C@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000781615953 618172662 /nfs/dbraw/zinc/17/26/62/618172662.db2.gz UWBSQCBXVDQSNS-IUCAKERBSA-N -1 1 253.729 2.964 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1cnn(C2CCC2)c1 ZINC000935101013 618183437 /nfs/dbraw/zinc/18/34/37/618183437.db2.gz RZPOIQOIVJWHEV-UHFFFAOYSA-N -1 1 275.283 2.705 20 0 CFADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccc(F)cc1F ZINC000235360645 618251062 /nfs/dbraw/zinc/25/10/62/618251062.db2.gz QPIFZTPRCFIQJD-NXEZZACHSA-N -1 1 269.291 2.650 20 0 CFADMM O=C(C[C@@H]1CCCOC1)Nc1ccc([O-])c(Cl)c1 ZINC000193635443 618467025 /nfs/dbraw/zinc/46/70/25/618467025.db2.gz MHCQBSOHVFOFDY-VIFPVBQESA-N -1 1 269.728 2.801 20 0 CFADMM C[C@@H]1CCN(C(=O)NCCc2c(F)cc([O-])cc2F)[C@H]1C ZINC000927783026 618471643 /nfs/dbraw/zinc/47/16/43/618471643.db2.gz TZPWZHIVPCVTSH-ZJUUUORDSA-N -1 1 298.333 2.653 20 0 CFADMM CC(C)[C@H]1CCN1C(=O)NCCc1c(F)cc([O-])cc1F ZINC000927785273 618473660 /nfs/dbraw/zinc/47/36/60/618473660.db2.gz HWEDMAKFRKSJCS-CQSZACIVSA-N -1 1 298.333 2.653 20 0 CFADMM Cc1nc(C)c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)[nH]1 ZINC000909513668 618520201 /nfs/dbraw/zinc/52/02/01/618520201.db2.gz SIXIUXKMKYGZHE-UHFFFAOYSA-N -1 1 287.319 2.594 20 0 CFADMM CSCCO[N-]C(=O)[C@@H](C)c1ccccc1C ZINC000935758656 618644310 /nfs/dbraw/zinc/64/43/10/618644310.db2.gz ZVGQDUNGVBPNHU-NSHDSACASA-N -1 1 253.367 2.509 20 0 CFADMM O=C([O-])C1(NC(=O)c2ccc(O)c(Cl)c2)CCCCC1 ZINC000019518757 618785730 /nfs/dbraw/zinc/78/57/30/618785730.db2.gz PBBGJIVBHHCVEA-UHFFFAOYSA-N -1 1 297.738 2.563 20 0 CFADMM C[C@@H](C(=O)[N-]OCc1ccc(F)cc1)c1cccnc1 ZINC000184138312 618912741 /nfs/dbraw/zinc/91/27/41/618912741.db2.gz DKAQSPHKJWOZAK-LLVKDONJSA-N -1 1 274.295 2.572 20 0 CFADMM Cc1oc(CNCc2ccccc2C)cc1C(=O)[O-] ZINC000235766272 619193273 /nfs/dbraw/zinc/19/32/73/619193273.db2.gz MDCYJGBAGBIGSH-UHFFFAOYSA-N -1 1 259.305 2.884 20 0 CFADMM C[C@H]1CNc2c([N-]c3nc4ccccc4o3)cnn2C1 ZINC000894952564 619518019 /nfs/dbraw/zinc/51/80/19/619518019.db2.gz AFCYHAWBBRDSKD-VIFPVBQESA-N -1 1 269.308 2.830 20 0 CFADMM C[C@H]1CO[C@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000896220681 619693045 /nfs/dbraw/zinc/69/30/45/619693045.db2.gz HZLSBILQXSICOP-HQJQHLMTSA-N -1 1 264.256 2.679 20 0 CFADMM C[C@H]1CCc2[nH]nc(C(=O)Nc3c([O-])cccc3F)c2C1 ZINC000896403597 619730305 /nfs/dbraw/zinc/73/03/05/619730305.db2.gz ULPGZGCCKYVANB-QMMMGPOBSA-N -1 1 289.310 2.632 20 0 CFADMM C[C@@]1(CC(=O)[N-]OCc2ccccn2)CC1(Cl)Cl ZINC000909543728 619859066 /nfs/dbraw/zinc/85/90/66/619859066.db2.gz HEXXJXPRSASBJG-LLVKDONJSA-N -1 1 289.162 2.603 20 0 CFADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC(C(F)F)C1 ZINC000897016274 619913521 /nfs/dbraw/zinc/91/35/21/619913521.db2.gz ZSUQOLVZGFWZOH-UHFFFAOYSA-N -1 1 293.269 2.588 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000182875987 625388920 /nfs/dbraw/zinc/38/89/20/625388920.db2.gz GVGBSCFRRNNUHX-ZDUSSCGKSA-N -1 1 277.707 2.718 20 0 CFADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000923983412 620053636 /nfs/dbraw/zinc/05/36/36/620053636.db2.gz ZHPHTJPRXZKRLG-GMTLJSCSSA-N -1 1 294.782 2.889 20 0 CFADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(F)ccc1F ZINC000263535760 620155585 /nfs/dbraw/zinc/15/55/85/620155585.db2.gz ZBINRRDPSDIXHX-ZJUUUORDSA-N -1 1 269.291 2.650 20 0 CFADMM Cc1cnc(C(=O)N2COCC[C@H]2c2ccccc2)c([O-])c1 ZINC000888192294 620168109 /nfs/dbraw/zinc/16/81/09/620168109.db2.gz JPHZYEOXGPPCJB-AWEZNQCLSA-N -1 1 298.342 2.657 20 0 CFADMM CC1(C)CO[C@H](CC(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000897530314 620218039 /nfs/dbraw/zinc/21/80/39/620218039.db2.gz HQZKVFZQTJBWAY-MRVPVSSYSA-N -1 1 284.743 2.584 20 0 CFADMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccc2ccc(O)cc2c1[O-] ZINC000897594965 620254174 /nfs/dbraw/zinc/25/41/74/620254174.db2.gz WZTKVVZZVFRMAN-JJLQDPRZSA-N -1 1 283.327 2.779 20 0 CFADMM C[C@H]1CN(C(=O)c2ccc3ccc(O)cc3c2[O-])[C@H]1C ZINC000897853083 620294629 /nfs/dbraw/zinc/29/46/29/620294629.db2.gz JYLROMFNLDSKFH-UWVGGRQHSA-N -1 1 271.316 2.731 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCOC2(CCC2)C1 ZINC000897931620 620302061 /nfs/dbraw/zinc/30/20/61/620302061.db2.gz XATAWQFFZQFYBC-SECBINFHSA-N -1 1 297.301 2.958 20 0 CFADMM CC1(C)CO[C@@H](CC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000897931666 620302098 /nfs/dbraw/zinc/30/20/98/620302098.db2.gz XTSFTPKHOILLBR-QMMMGPOBSA-N -1 1 285.290 2.814 20 0 CFADMM CC1(C)CO[C@H](CC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000897931664 620302243 /nfs/dbraw/zinc/30/22/43/620302243.db2.gz XTSFTPKHOILLBR-MRVPVSSYSA-N -1 1 285.290 2.814 20 0 CFADMM O=c1cc(CC2CC2)[n-]n1-c1ccnc(Br)c1 ZINC000899350994 620550193 /nfs/dbraw/zinc/55/01/93/620550193.db2.gz WDQFGISBYGVHBP-UHFFFAOYSA-N -1 1 294.152 2.737 20 0 CFADMM O=C([O-])Cc1ccccc1CNCc1cccc2c1OCC2 ZINC000900028014 620625659 /nfs/dbraw/zinc/62/56/59/620625659.db2.gz TXAYPGOPSASNII-UHFFFAOYSA-N -1 1 297.354 2.538 20 0 CFADMM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2)o1 ZINC000900046473 620629002 /nfs/dbraw/zinc/62/90/02/620629002.db2.gz LPJYETXWYFJSFB-AWEZNQCLSA-N -1 1 289.331 2.902 20 0 CFADMM C[C@@H](C(=O)[O-])[C@H](C)N[C@@H](CCc1ccccc1)C(F)F ZINC000901449869 620824595 /nfs/dbraw/zinc/82/45/95/620824595.db2.gz CKBPIFZIUYFYFV-MDZLAQPJSA-N -1 1 285.334 2.952 20 0 CFADMM CCc1ncc(CNCc2ccc(CC(=O)[O-])cc2)s1 ZINC000901541567 620851345 /nfs/dbraw/zinc/85/13/45/620851345.db2.gz VPZGCEPWSHDKBC-UHFFFAOYSA-N -1 1 290.388 2.622 20 0 CFADMM CCN(CC)c1ccc(CN2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000901513328 620852154 /nfs/dbraw/zinc/85/21/54/620852154.db2.gz DBCAGCQCCURALZ-MRXNPFEDSA-N -1 1 294.370 2.531 20 0 CFADMM CCCOc1ccc(C[N@H+]2CC[C@@](F)(C(=O)[O-])C2)c(C)c1 ZINC000901515318 620852748 /nfs/dbraw/zinc/85/27/48/620852748.db2.gz ANODKEFLIBVPTP-INIZCTEOSA-N -1 1 295.354 2.782 20 0 CFADMM CCCOc1ccc(CN2CC[C@@](F)(C(=O)[O-])C2)c(C)c1 ZINC000901515318 620852750 /nfs/dbraw/zinc/85/27/50/620852750.db2.gz ANODKEFLIBVPTP-INIZCTEOSA-N -1 1 295.354 2.782 20 0 CFADMM O=C([O-])[C@@]1(F)CCN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000901515605 620853563 /nfs/dbraw/zinc/85/35/63/620853563.db2.gz NSMTYYLFLMECTH-MRXNPFEDSA-N -1 1 289.306 2.945 20 0 CFADMM CCc1ncc(CN(CCC(=O)[O-])Cc2ccccc2)cn1 ZINC000901561275 620857997 /nfs/dbraw/zinc/85/79/97/620857997.db2.gz OAHYSEXDFBHVIA-UHFFFAOYSA-N -1 1 299.374 2.516 20 0 CFADMM C[C@@H]1CN(Cc2cccc(C(=O)[O-])n2)Cc2ccccc21 ZINC000901550258 620862086 /nfs/dbraw/zinc/86/20/86/620862086.db2.gz ASLUHPHQJOQVQH-GFCCVEGCSA-N -1 1 282.343 2.899 20 0 CFADMM Cc1nc(SCC(=O)[C@H]2C[C@@H]2C)[n-]c(=O)c1C1CC1 ZINC000901588712 620863961 /nfs/dbraw/zinc/86/39/61/620863961.db2.gz 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/nfs/dbraw/zinc/88/51/87/620885187.db2.gz DDPYHGSKQMGQPM-UHFFFAOYSA-N -1 1 299.798 2.826 20 0 CFADMM Cc1occc1CN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000901744186 620907725 /nfs/dbraw/zinc/90/77/25/620907725.db2.gz DJBLWBYIDYXJOB-UHFFFAOYSA-N -1 1 271.316 2.845 20 0 CFADMM CCc1ccc(CN[C@H](C(=O)[O-])[C@@H]2CCC[C@@H](OC)C2)o1 ZINC000901763631 620915829 /nfs/dbraw/zinc/91/58/29/620915829.db2.gz PHUYKUFTLRIGLF-KYOSRNDESA-N -1 1 295.379 2.590 20 0 CFADMM Cc1ccc([C@H](NCc2ccncc2F)C(=O)[O-])cc1C ZINC000901849765 620930022 /nfs/dbraw/zinc/93/00/22/620930022.db2.gz KHGMZMDMQRRROO-HNNXBMFYSA-N -1 1 288.322 2.753 20 0 CFADMM O=C([O-])[C@@]1(F)CN(Cc2cccs2)CC12CCC2 ZINC000901915894 620935414 /nfs/dbraw/zinc/93/54/14/620935414.db2.gz QCUDLDJZDUZCTD-ZDUSSCGKSA-N -1 1 269.341 2.527 20 0 CFADMM CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])s1 ZINC000902009617 620956997 /nfs/dbraw/zinc/95/69/97/620956997.db2.gz HFKJEVDWBZBLOC-SNVBAGLBSA-N -1 1 282.409 2.880 20 0 CFADMM CC(C)(C)c1cnc(CN2CCC[C@@H]2CC(=O)[O-])s1 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CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2C[C@H]2C(C)C)c1 ZINC000772511635 627716954 /nfs/dbraw/zinc/71/69/54/627716954.db2.gz QAVFFHWANAKNDP-GJZGRUSLSA-N -1 1 290.359 2.973 20 0 CFADMM CC(C)OCCCOC(=O)c1ccc([O-])cc1F ZINC000773574814 627839072 /nfs/dbraw/zinc/83/90/72/627839072.db2.gz HIWFJRSZZIXRHH-UHFFFAOYSA-N -1 1 256.273 2.503 20 0 CFADMM O=C(OCc1noc2c1CCCC2)c1ccc([O-])cc1F ZINC000773577149 627839115 /nfs/dbraw/zinc/83/91/15/627839115.db2.gz REWXNZOMYQQUMN-UHFFFAOYSA-N -1 1 291.278 2.755 20 0 CFADMM CCc1cnccc1[C@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000773772308 627857744 /nfs/dbraw/zinc/85/77/44/627857744.db2.gz MMAAEATVXQQVJA-ZETCQYMHSA-N -1 1 278.249 2.722 20 0 CFADMM Cc1cc(NC(=O)[N-]O[C@@H]2CCCCO2)n(C(C)(C)C)n1 ZINC000774026625 627879527 /nfs/dbraw/zinc/87/95/27/627879527.db2.gz LETMJUCASPPQTK-GFCCVEGCSA-N -1 1 296.371 2.526 20 0 CFADMM CC(C)[C@@H]1CCN1C(=O)c1c([O-])cccc1Cl ZINC000775980836 628090411 /nfs/dbraw/zinc/09/04/11/628090411.db2.gz UGILFHRODFFCIC-JTQLQIEISA-N -1 1 253.729 2.916 20 0 CFADMM Cc1ncoc1C(=O)[N-]c1c2nsnc2ccc1Cl ZINC000776963231 628188772 /nfs/dbraw/zinc/18/87/72/628188772.db2.gz WSWXOGBCUYYVAU-UHFFFAOYSA-N -1 1 294.723 2.893 20 0 CFADMM O=C(OCCCc1cccc2ccccc21)c1cn[n-]n1 ZINC000805606500 628303355 /nfs/dbraw/zinc/30/33/55/628303355.db2.gz YDGMFBWXWHVBGR-UHFFFAOYSA-N -1 1 281.315 2.748 20 0 CFADMM O=C(OCC1CCC(c2ccccc2)CC1)c1cn[n-]n1 ZINC000805607935 628308095 /nfs/dbraw/zinc/30/80/95/628308095.db2.gz UMKBCTUOUOYDQQ-UHFFFAOYSA-N -1 1 285.347 2.936 20 0 CFADMM Cc1cnc(C(=O)N[C@H](c2ccccn2)C(C)C)c([O-])c1 ZINC000778883878 628338958 /nfs/dbraw/zinc/33/89/58/628338958.db2.gz OEZAPMFCYNGRLV-AWEZNQCLSA-N -1 1 285.347 2.618 20 0 CFADMM Cc1cnc(C(=O)N2CCC3(CCCC3)C2)c([O-])c1 ZINC000778936245 628340830 /nfs/dbraw/zinc/34/08/30/628340830.db2.gz LBXRTMWOYYQTCE-UHFFFAOYSA-N -1 1 260.337 2.502 20 0 CFADMM C[C@@](O)(CC(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000779322758 628373975 /nfs/dbraw/zinc/37/39/75/628373975.db2.gz BZAGZRLYJQZQLC-MRXNPFEDSA-N -1 1 277.364 2.665 20 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1 284.271 2.794 20 0 CFADMM CCc1cccc(NC(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC000791091825 629287428 /nfs/dbraw/zinc/28/74/28/629287428.db2.gz XZDALCYTWGSHGL-UHFFFAOYSA-N -1 1 295.346 2.548 20 0 CFADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@@H](C2CC2)O1 ZINC000792494472 629428745 /nfs/dbraw/zinc/42/87/45/629428745.db2.gz VDYAMIATDPFYJO-ZANVPECISA-N -1 1 295.766 2.685 20 0 CFADMM CSCCONC(=O)c1ccc2ccccc2c1[O-] ZINC000794191933 629620161 /nfs/dbraw/zinc/62/01/61/629620161.db2.gz XJVHJJZLPBEGMN-UHFFFAOYSA-N -1 1 277.345 2.570 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CC[C@H](C)C1 ZINC000794252451 629626425 /nfs/dbraw/zinc/62/64/25/629626425.db2.gz XSKCBIYNGHJTQD-CMPLNLGQSA-N -1 1 291.395 2.780 20 0 CFADMM O=C([N-]CCCSCCCCF)C(F)(F)F ZINC000795384272 629769312 /nfs/dbraw/zinc/76/93/12/629769312.db2.gz PNKREMPEWQPNNS-UHFFFAOYSA-N -1 1 261.284 2.538 20 0 CFADMM O=C(CCC(F)F)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000796019848 629864683 /nfs/dbraw/zinc/86/46/83/629864683.db2.gz ARLKWTRWUKVYRN-UHFFFAOYSA-N 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CQMZWJGLVZGNOD-UHFFFAOYSA-N -1 1 284.271 2.502 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@@H]2CC[C@@H](C)[C@H](C)C2)[n-]1 ZINC000797096842 630016794 /nfs/dbraw/zinc/01/67/94/630016794.db2.gz IBUITRXLSCGKBA-GMTAPVOTSA-N -1 1 279.336 2.783 20 0 CFADMM CC[C@H]1CN(C(=O)c2c([O-])cccc2Cl)CCCO1 ZINC000799071066 630273612 /nfs/dbraw/zinc/27/36/12/630273612.db2.gz ZOSSYSKEGYOPPY-JTQLQIEISA-N -1 1 283.755 2.687 20 0 CFADMM CC[C@H](C)OC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000801203581 630433575 /nfs/dbraw/zinc/43/35/75/630433575.db2.gz MBDLOPQXQQPAMI-JTQLQIEISA-N -1 1 260.293 2.533 20 0 CFADMM CCC[C@H](C)OC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000801204161 630433614 /nfs/dbraw/zinc/43/36/14/630433614.db2.gz YICVZSPOQAPQKY-NSHDSACASA-N -1 1 274.320 2.923 20 0 CFADMM Cc1ccc(CN2CCCC[C@H]2CC(=O)[O-])c(Cl)n1 ZINC000852730266 634816882 /nfs/dbraw/zinc/81/68/82/634816882.db2.gz PXLMDRUPWVELEG-LBPRGKRZSA-N -1 1 282.771 2.873 20 0 CFADMM CC1(C)SC[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC000802359285 630528365 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CC(C)C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000043431829 650016661 /nfs/dbraw/zinc/01/66/61/650016661.db2.gz KRIWZZVQTPULLI-RTXFEEFZSA-N -1 1 265.353 2.992 20 0 CFADMM CC[C@](O)(CC(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC000840243350 631645395 /nfs/dbraw/zinc/64/53/95/631645395.db2.gz DCUDJFMXXPAJNP-SFHVURJKSA-N -1 1 299.370 2.922 20 0 CFADMM CCC[C@](C)(O)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000842498439 631647255 /nfs/dbraw/zinc/64/72/55/631647255.db2.gz ZMVFMVXELOYUSL-ZDUSSCGKSA-N -1 1 266.272 2.589 20 0 CFADMM O=C([N-]OC/C=C\Cl)c1c(F)c(F)cc(F)c1F ZINC000812405287 631704664 /nfs/dbraw/zinc/70/46/64/631704664.db2.gz VKFGZNWDWONSPE-UPHRSURJSA-N -1 1 283.608 2.657 20 0 CFADMM C[C@@H]1CCc2ccccc2[C@H]1[N-]C(=O)C(F)(F)F ZINC000155526215 650023380 /nfs/dbraw/zinc/02/33/80/650023380.db2.gz WDDZEDLBFKRCER-KCJUWKMLSA-N -1 1 257.255 2.989 20 0 CFADMM CC(C)OCCON=c1ccnc(Cc2ccccc2)[n-]1 ZINC000812488629 631725100 /nfs/dbraw/zinc/72/51/00/631725100.db2.gz IVYNFNCTHQVXTH-UHFFFAOYSA-N -1 1 287.363 2.836 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2.509 20 0 CFADMM CC[C@@H](C)C[C@@H](CO)NC(=O)c1c([O-])cccc1Cl ZINC000844037035 632100784 /nfs/dbraw/zinc/10/07/84/632100784.db2.gz SCMHKUANLHKRBM-ZJUUUORDSA-N -1 1 285.771 2.573 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CCOC[C@@H]1C1CCC1 ZINC000844040185 632101651 /nfs/dbraw/zinc/10/16/51/632101651.db2.gz YRACZTPGUWSQMR-GFCCVEGCSA-N -1 1 295.766 2.687 20 0 CFADMM CC(F)(F)C[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000815066398 632194301 /nfs/dbraw/zinc/19/43/01/632194301.db2.gz NEQNBGNRQHNTDI-SREVYHEPSA-N -1 1 295.738 2.885 20 0 CFADMM COC(=O)c1cc(NC(=O)c2ccccc2[O-])ccc1F ZINC000844734231 632291961 /nfs/dbraw/zinc/29/19/61/632291961.db2.gz VZBZCFTZAHXGBG-UHFFFAOYSA-N -1 1 289.262 2.570 20 0 CFADMM C[C@]1(CC[N-]C(=O)C(F)(F)C(F)F)C[C@]1(F)Cl ZINC000844808142 632313827 /nfs/dbraw/zinc/31/38/27/632313827.db2.gz HRQPOKYBJGESMS-JGVFFNPUSA-N -1 1 279.636 2.708 20 0 CFADMM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc(Cl)nc(Cl)c1 ZINC000844836446 632320916 /nfs/dbraw/zinc/32/09/16/632320916.db2.gz FHFQKTXBIKHKHO-VXNVDRBHSA-N -1 1 289.162 2.826 20 0 CFADMM CC[C@@H](C)CONC(=O)c1c([O-])cccc1Cl ZINC000816976692 632541373 /nfs/dbraw/zinc/54/13/73/632541373.db2.gz ILJMYPHAPOMDIV-MRVPVSSYSA-N -1 1 257.717 2.753 20 0 CFADMM CC[C@H](C)CO[N-]C(=O)[C@@H](c1ccccc1)N(C)CC ZINC000816980801 632543977 /nfs/dbraw/zinc/54/39/77/632543977.db2.gz UGQFMNJTIYPDAE-DZGCQCFKSA-N -1 1 278.396 2.773 20 0 CFADMM C[C@@H](C(=O)[N-]OC1CCOCC1)c1ccc(Cl)cc1 ZINC000845955429 632604534 /nfs/dbraw/zinc/60/45/34/632604534.db2.gz OZINKQDLKSEWIC-SNVBAGLBSA-N -1 1 283.755 2.670 20 0 CFADMM Cc1cc([N-]S(=O)(=O)C2=CCCCC2)nn1C(C)C ZINC000817357560 632612679 /nfs/dbraw/zinc/61/26/79/632612679.db2.gz JGTFRQKYCGVZJA-UHFFFAOYSA-N -1 1 283.397 2.972 20 0 CFADMM CCCCCC[C@H](C)C(=O)Nc1[nH]cnc1C(=O)OC ZINC000847015941 632880953 /nfs/dbraw/zinc/88/09/53/632880953.db2.gz AYEVCHQLJOHDRE-JTQLQIEISA-N -1 1 281.356 2.741 20 0 CFADMM O=C(/C=C/[C@@H]1CCCO1)Nc1ccc([O-])c(Cl)c1 ZINC000819411425 633152809 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635223297 /nfs/dbraw/zinc/22/32/97/635223297.db2.gz PKQAFTCXKHEEEM-JLVNDZCYSA-N -1 1 287.319 2.505 20 0 CFADMM CCC[C@@H](O)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675839 635279265 /nfs/dbraw/zinc/27/92/65/635279265.db2.gz CELRXNNXYANGEJ-SSDOTTSWSA-N -1 1 275.707 2.674 20 0 CFADMM COC1CC(CCNC(=O)c2c([O-])cccc2Cl)C1 ZINC000855169187 635476512 /nfs/dbraw/zinc/47/65/12/635476512.db2.gz LRTWMOPHBAFWEB-UHFFFAOYSA-N -1 1 283.755 2.591 20 0 CFADMM CC[C@@H](C)CCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000855388611 635527718 /nfs/dbraw/zinc/52/77/18/635527718.db2.gz UOYKMCYABRDHDG-SNVBAGLBSA-N -1 1 279.384 2.780 20 0 CFADMM O=C(N[C@@H]1C=CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000855430094 635542416 /nfs/dbraw/zinc/54/24/16/635542416.db2.gz URAMSFMANLMPKE-SECBINFHSA-N -1 1 271.238 2.859 20 0 CFADMM CC(C)Cc1nsc([N-]C(=O)c2ccnc(F)c2F)n1 ZINC000855706533 635620617 /nfs/dbraw/zinc/62/06/17/635620617.db2.gz JYMRWVFFJUOAMF-UHFFFAOYSA-N -1 1 298.318 2.662 20 0 CFADMM C[C@H](C(=O)[N-]OCC1CCC1)c1cccc(F)c1 ZINC000856349638 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CFADMM O=C(Cc1cccc(F)c1)Nc1nc(Cl)ccc1[O-] ZINC000188365336 650325141 /nfs/dbraw/zinc/32/51/41/650325141.db2.gz VCQWLUOCBACEDY-UHFFFAOYSA-N -1 1 280.686 2.761 20 0 CFADMM O=C(CC1CCCC1)Nc1nc(Cl)ccc1[O-] ZINC000188374087 650325338 /nfs/dbraw/zinc/32/53/38/650325338.db2.gz PNCGGXVAVJPAMF-UHFFFAOYSA-N -1 1 254.717 2.959 20 0 CFADMM COc1ccsc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188361834 650325474 /nfs/dbraw/zinc/32/54/74/650325474.db2.gz LPBSILABXRMJFN-UHFFFAOYSA-N -1 1 284.724 2.763 20 0 CFADMM CCc1cc(=O)[n-]c(SCc2ccnc(F)c2)n1 ZINC000863324039 637626559 /nfs/dbraw/zinc/62/65/59/637626559.db2.gz YWIZXCAAWOUQAJ-UHFFFAOYSA-N -1 1 265.313 2.571 20 0 CFADMM Cc1cnc(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)s1 ZINC000863476742 637672600 /nfs/dbraw/zinc/67/26/00/637672600.db2.gz NBFRBKXQVIRDQD-DOFRTFSJSA-N -1 1 268.382 2.525 20 0 CFADMM CCCCC[C@](C)(CC)C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000189084610 650359924 /nfs/dbraw/zinc/35/99/24/650359924.db2.gz KXNDJORQRWYQOQ-WFASDCNBSA-N -1 1 295.431 2.758 20 0 CFADMM 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CFADMM C[C@H]1OCC[C@@H]1COC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869734436 639375289 /nfs/dbraw/zinc/37/52/89/639375289.db2.gz GIZFLHNZJUODLP-MWLCHTKSSA-N -1 1 284.739 2.556 20 0 CFADMM COCCCCOC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869735161 639375839 /nfs/dbraw/zinc/37/58/39/639375839.db2.gz QCJMMIJQULJEJY-UHFFFAOYSA-N -1 1 272.728 2.558 20 0 CFADMM COC(=O)c1c[n-]c(SCc2cnc(Cl)s2)n1 ZINC000191502589 650504985 /nfs/dbraw/zinc/50/49/85/650504985.db2.gz IJOJWYSUWXHYSO-UHFFFAOYSA-N -1 1 289.769 2.599 20 0 CFADMM C#CCCCC(=O)N[N-]C(=O)c1c(Cl)cccc1Cl ZINC000192109131 650540226 /nfs/dbraw/zinc/54/02/26/650540226.db2.gz WMBXJMCVXGTHDG-UHFFFAOYSA-N -1 1 299.157 2.558 20 0 CFADMM COCc1ccsc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000193196728 650632911 /nfs/dbraw/zinc/63/29/11/650632911.db2.gz BVFSHWWCDWPFBN-UHFFFAOYSA-N -1 1 298.751 2.901 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)CC1CCC1 ZINC000871089307 641195641 /nfs/dbraw/zinc/19/56/41/641195641.db2.gz JZEYTOIRBFXKGS-JTQLQIEISA-N -1 1 291.395 2.923 20 0 CFADMM 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CFADMM CCc1[n-]n(-c2ccccc2Br)c(=O)c1F ZINC000871941620 641520738 /nfs/dbraw/zinc/52/07/38/641520738.db2.gz BFWYUPJIGMLTNU-SNVBAGLBSA-N -1 1 285.116 2.900 20 0 CFADMM CCc1[n-]n(-c2ccc(Br)cc2)c(=O)c1F ZINC000871941771 641520856 /nfs/dbraw/zinc/52/08/56/641520856.db2.gz HLUIESRMIMYTSL-SNVBAGLBSA-N -1 1 285.116 2.900 20 0 CFADMM CCc1[n-]n(-c2cccc(Cl)c2F)c(=O)c1F ZINC000871947523 641523197 /nfs/dbraw/zinc/52/31/97/641523197.db2.gz CUHOHDNAHGPFSU-SNVBAGLBSA-N -1 1 258.655 2.930 20 0 CFADMM CCc1[n-]n(-c2cccc(C(F)(F)F)n2)c(=O)c1F ZINC000871955102 641528243 /nfs/dbraw/zinc/52/82/43/641528243.db2.gz JGRLCMHJERIOHA-SECBINFHSA-N -1 1 275.205 2.551 20 0 CFADMM CCc1[n-]n(-c2cc(F)c(F)c(F)c2)c(=O)c1F ZINC000871956859 641529609 /nfs/dbraw/zinc/52/96/09/641529609.db2.gz GQTMWYJXZWXTEY-JTQLQIEISA-N -1 1 260.190 2.555 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3nc(F)ccc3Cl)c(=O)c21 ZINC000871959027 641531225 /nfs/dbraw/zinc/53/12/25/641531225.db2.gz MKAOSGVZRQFFAX-QUBYGPBYSA-N -1 1 267.691 2.623 20 0 CFADMM 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CFADMM O=C1[N-]C(=O)C(=Cc2ccc3c(c2)OCCCCO3)S1 ZINC000874930202 642556380 /nfs/dbraw/zinc/55/63/80/642556380.db2.gz YBDUSQCHECAQNR-WQLSENKSSA-N -1 1 291.328 2.562 20 0 CFADMM COc1ccc(C=C2SC(=O)[N-]C2=O)cc1OC1CC1 ZINC000874929869 642556456 /nfs/dbraw/zinc/55/64/56/642556456.db2.gz SAUHJFLFDODEOT-KPKJPENVSA-N -1 1 291.328 2.560 20 0 CFADMM CCCCCC(C)(C)C(=O)NCCn1c(C)n[n-]c1=S ZINC000084613468 650777378 /nfs/dbraw/zinc/77/73/78/650777378.db2.gz HSNWIIRNKCSMDM-UHFFFAOYSA-N -1 1 298.456 2.972 20 0 CFADMM C[C@@H]1CC2(CC(NC(=O)c3ccc(Cl)cc3[O-])C2)CO1 ZINC000888739039 643205524 /nfs/dbraw/zinc/20/55/24/643205524.db2.gz ZPOVPUUGSXBLRY-IWPPJYEWSA-N -1 1 295.766 2.733 20 0 CFADMM O=C(C[C@@H](O)c1cccc(F)c1)Nc1c([O-])cccc1F ZINC000089343603 650838024 /nfs/dbraw/zinc/83/80/24/650838024.db2.gz NJNLSPNMEIAWAN-CYBMUJFWSA-N -1 1 293.269 2.733 20 0 CFADMM CCCCN(C)Cc1nnc(-c2ccccc2O)o1 ZINC000877900980 643630232 /nfs/dbraw/zinc/63/02/32/643630232.db2.gz PCEZZFRSRROHHQ-UHFFFAOYSA-N -1 1 261.325 2.674 20 0 CFADMM C[C@]1(c2ccccc2)C[C@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000878575953 643946140 /nfs/dbraw/zinc/94/61/40/643946140.db2.gz PMAPDILYLKZBNO-SQWLQELKSA-N -1 1 275.348 2.539 20 0 CFADMM Cc1cc(C)cc(OCCC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000128262440 644569398 /nfs/dbraw/zinc/56/93/98/644569398.db2.gz WZIYJXQQPYHJRM-INIZCTEOSA-N -1 1 293.363 2.647 20 0 CFADMM Cc1nocc1[N-]C(=O)c1conc1C1CCCC1 ZINC000880444688 644711784 /nfs/dbraw/zinc/71/17/84/644711784.db2.gz PUZMHDRTINRNGJ-UHFFFAOYSA-N -1 1 261.281 2.881 20 0 CFADMM O=C(NCC1(CC2CC2)CC1)c1ccc([O-])c(F)c1 ZINC000881519989 645015021 /nfs/dbraw/zinc/01/50/21/645015021.db2.gz HOIFMCDWATXFNM-UHFFFAOYSA-N -1 1 263.312 2.841 20 0 CFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC(F)CC1 ZINC000881614186 645084102 /nfs/dbraw/zinc/08/41/02/645084102.db2.gz FOBAVGJEFPSFHD-UHFFFAOYSA-N -1 1 271.719 2.549 20 0 CFADMM COc1ccc2nc(-c3cccc(Cl)n3)[n-]c(=O)c2c1 ZINC000129404823 645189028 /nfs/dbraw/zinc/18/90/28/645189028.db2.gz JNMVJQSWADTQPO-UHFFFAOYSA-N -1 1 287.706 2.647 20 0 CFADMM COC[C@H]1C[C@@H](NC(=O)c2cc3ccccc3cc2[O-])C1 ZINC000882107542 645205218 /nfs/dbraw/zinc/20/52/18/645205218.db2.gz YSJQMOBKFNYOEN-VDISTLRHSA-N -1 1 285.343 2.700 20 0 CFADMM CC[C@@H](C)CON=c1[n-]cc(C(=O)OC)cc1Cl ZINC000882393134 645297572 /nfs/dbraw/zinc/29/75/72/645297572.db2.gz WWBLQPXCGNDFEF-MRVPVSSYSA-N -1 1 272.732 2.911 20 0 CFADMM O=C(NC[C@@H]1CCC2(CCC2)O1)c1c(F)ccc([O-])c1F ZINC000882549128 645366286 /nfs/dbraw/zinc/36/62/86/645366286.db2.gz MMMCOFFJDPCADU-VIFPVBQESA-N -1 1 297.301 2.502 20 0 CFADMM O=S(=O)([N-][C@H](c1cccc(Cl)c1)C(F)F)C1CC1 ZINC000882817731 645469961 /nfs/dbraw/zinc/46/99/61/645469961.db2.gz MXWDWJCBEFMYAB-SNVBAGLBSA-N -1 1 295.738 2.728 20 0 CFADMM CC(C)(F)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000133081983 646026161 /nfs/dbraw/zinc/02/61/61/646026161.db2.gz NMHIIQFLUIUZQP-UHFFFAOYSA-N -1 1 293.338 2.562 20 0 CFADMM O=C(OC[C@@H]1CCC2(CCC2)O1)c1c([O-])cc(F)cc1F ZINC000884478678 646387619 /nfs/dbraw/zinc/38/76/19/646387619.db2.gz 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/nfs/dbraw/zinc/93/93/98/646939398.db2.gz YQCHQQFAQCSNCO-SECBINFHSA-N -1 1 295.285 2.726 20 0 CFADMM CCc1[nH]ccc1C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886268673 646941697 /nfs/dbraw/zinc/94/16/97/646941697.db2.gz YOIVZGZFOOSQFT-UHFFFAOYSA-N -1 1 294.301 2.533 20 0 CFADMM CCc1onc(C)c1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000886663540 647097020 /nfs/dbraw/zinc/09/70/20/647097020.db2.gz FWLDIERRPOKTTE-UHFFFAOYSA-N -1 1 294.738 2.834 20 0 CFADMM CC(C)C[C@H]1C(=O)N[C@@H](c2cccc([O-])c2Cl)N1C ZINC000887330945 647274511 /nfs/dbraw/zinc/27/45/11/647274511.db2.gz CZJMQJGFWQAYDO-GXFFZTMASA-N -1 1 282.771 2.521 20 0 CFADMM CO[C@H]1CC[C@H]1N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000889358311 647548277 /nfs/dbraw/zinc/54/82/77/647548277.db2.gz GWEJSGGZUJDSKF-ZBFHGGJFSA-N -1 1 285.343 2.795 20 0 CFADMM O=C(NCCc1c(F)cc([O-])cc1F)N1C2CCC1CC2 ZINC000927779871 648831814 /nfs/dbraw/zinc/83/18/14/648831814.db2.gz KIDQHQBVRVKGBV-UHFFFAOYSA-N -1 1 296.317 2.549 20 0 CFADMM CCN(C(=O)NCCc1c(F)cc([O-])cc1F)C1CCC1 ZINC000927782532 648833156 /nfs/dbraw/zinc/83/31/56/648833156.db2.gz OBKXCQTXSVECPB-UHFFFAOYSA-N -1 1 298.333 2.797 20 0 CFADMM CC(C)C1CN(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC000927786708 648833717 /nfs/dbraw/zinc/83/37/17/648833717.db2.gz ZKCWAPUXJQLODS-UHFFFAOYSA-N -1 1 298.333 2.510 20 0 CFADMM C[C@@H]1C[C@H](C)CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000928186269 648868837 /nfs/dbraw/zinc/86/88/37/648868837.db2.gz BTXKCQCTWWHFSE-GHMZBOCLSA-N -1 1 289.379 2.568 20 0 CFADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)N[C@]12C[C@H]1CCC2 ZINC000932062786 649530384 /nfs/dbraw/zinc/53/03/84/649530384.db2.gz OOXYUPQAFVQCAQ-BDJLRTHQSA-N -1 1 298.346 2.642 20 0 CFADMM O=C(NC[C@@H]1C=CCC1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932061584 649530648 /nfs/dbraw/zinc/53/06/48/649530648.db2.gz SJQCQTPOTALBRH-GFCCVEGCSA-N -1 1 298.346 2.666 20 0 CFADMM O=C([O-])CCCCCCNC(=O)c1ccc(O)c(Cl)c1 ZINC000019806786 651294431 /nfs/dbraw/zinc/29/44/31/651294431.db2.gz MRVGSWFRLBEBID-UHFFFAOYSA-N -1 1 299.754 2.811 20 0 CFADMM CC(C)COc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001243432345 782197526 /nfs/dbraw/zinc/19/75/26/782197526.db2.gz UFAUYXFOXPTXIG-UHFFFAOYSA-N -1 1 295.346 2.964 20 0 CFADMM CC(C)COc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001243432345 782197530 /nfs/dbraw/zinc/19/75/30/782197530.db2.gz UFAUYXFOXPTXIG-UHFFFAOYSA-N -1 1 295.346 2.964 20 0 CFADMM COC(=O)c1ncccc1-c1cc(F)cc(F)c1[O-] ZINC001243501946 782236617 /nfs/dbraw/zinc/23/66/17/782236617.db2.gz GILWKPOMCJGSOD-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM COC(=O)c1cc(C)c(-c2cc(F)cc(F)c2[O-])cn1 ZINC001243503782 782238684 /nfs/dbraw/zinc/23/86/84/782238684.db2.gz VMEQQMLPZUCNOZ-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM O=C1NCCc2ccc(-c3cc(F)cc(F)c3[O-])cc21 ZINC001243503854 782238973 /nfs/dbraw/zinc/23/89/73/782238973.db2.gz KYYXQWUSLCDMIC-UHFFFAOYSA-N -1 1 275.254 2.623 20 0 CFADMM [O-]c1c(F)cc(F)cc1-c1ccnc(N2CCOCC2)c1 ZINC001243502876 782239254 /nfs/dbraw/zinc/23/92/54/782239254.db2.gz AWWGVDGRPZAFTI-UHFFFAOYSA-N -1 1 292.285 2.569 20 0 CFADMM NC(=S)c1ccc(-c2cc(F)cc(F)c2[O-])cc1 ZINC001243504599 782239967 /nfs/dbraw/zinc/23/99/67/782239967.db2.gz OKMBMOIHGITMMC-UHFFFAOYSA-N -1 1 265.284 2.972 20 0 CFADMM CN1Cc2cccc(-c3cc(F)cc(F)c3[O-])c2C1=O ZINC001243504549 782240354 /nfs/dbraw/zinc/24/03/54/782240354.db2.gz RHKGEUOFKUVJOG-UHFFFAOYSA-N -1 1 275.254 2.923 20 0 CFADMM COc1cccc(N)c1-c1cc(F)cc(F)c1[O-] ZINC001243505028 782240653 /nfs/dbraw/zinc/24/06/53/782240653.db2.gz FTBKRUIFNMTSIM-UHFFFAOYSA-N -1 1 251.232 2.928 20 0 CFADMM Cc1cc(-c2cc(F)cc(F)c2[O-])ccc1C(N)=O ZINC001243505543 782242377 /nfs/dbraw/zinc/24/23/77/782242377.db2.gz HTHWIFYTKZLNBY-UHFFFAOYSA-N -1 1 263.243 2.745 20 0 CFADMM O=C1Cc2cccc(-c3cc(F)cc(F)c3[O-])c2N1 ZINC001243505249 782242603 /nfs/dbraw/zinc/24/26/03/782242603.db2.gz YHVOYGBQIFBVAP-UHFFFAOYSA-N -1 1 261.227 2.832 20 0 CFADMM CCS(=O)(=O)c1ccc(-c2ccc(Cl)c([O-])c2)nc1 ZINC001243576006 782286278 /nfs/dbraw/zinc/28/62/78/782286278.db2.gz DLWWQZPKDSSRSD-UHFFFAOYSA-N -1 1 297.763 2.901 20 0 CFADMM COc1nc(C)cc(-c2ccc(Cl)c([O-])c2)n1 ZINC001243576367 782286526 /nfs/dbraw/zinc/28/65/26/782286526.db2.gz MDJJCYGNFDOUKF-UHFFFAOYSA-N -1 1 250.685 2.820 20 0 CFADMM COc1ncnc(-c2ccc(Cl)c([O-])c2)c1OC ZINC001243575978 782286897 /nfs/dbraw/zinc/28/68/97/782286897.db2.gz CFKLJMOVKPGQDT-UHFFFAOYSA-N -1 1 266.684 2.520 20 0 CFADMM O=C1Cc2cc(-c3ccc(Cl)c([O-])c3)cnc2N1 ZINC001243578124 782287557 /nfs/dbraw/zinc/28/75/57/782287557.db2.gz MHDSFGHBJRGPOO-UHFFFAOYSA-N -1 1 260.680 2.602 20 0 CFADMM CCOc1cncc(-c2ccc(Cl)c([O-])c2)n1 ZINC001243577065 782288051 /nfs/dbraw/zinc/28/80/51/782288051.db2.gz RXFLVFSOUNEGDH-UHFFFAOYSA-N -1 1 250.685 2.901 20 0 CFADMM Oc1cccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1F ZINC001233057783 777784674 /nfs/dbraw/zinc/78/46/74/777784674.db2.gz OPAKTJCRXDHVOL-AWEZNQCLSA-N -1 1 288.322 2.580 20 0 CFADMM C[C@@H](OCCCC[P@](=O)([O-])O)C1CCCC1 ZINC001225018647 778815324 /nfs/dbraw/zinc/81/53/24/778815324.db2.gz DNIPARDHMRKJRC-SNVBAGLBSA-N -1 1 250.275 2.540 20 0 CFADMM Cc1cc(C=O)c([O-])c(C(=O)NCC[C@]2(C)CC2(F)F)c1 ZINC001167189388 770132527 /nfs/dbraw/zinc/13/25/27/770132527.db2.gz YGFLCRYRXLYYIA-CQSZACIVSA-N -1 1 297.301 2.678 20 0 CFADMM Cc1cc(C)c(-c2noc(-c3ccc(O)cc3[O-])n2)cn1 ZINC000397370411 770193734 /nfs/dbraw/zinc/19/37/34/770193734.db2.gz MUWOTHOFWFMCHG-UHFFFAOYSA-N -1 1 283.287 2.827 20 0 CFADMM O=c1[nH]cc(Nc2c([O-])cc(F)cc2F)cc1F ZINC001210601034 770331423 /nfs/dbraw/zinc/33/14/23/770331423.db2.gz OYFFXGHCQKLOLH-UHFFFAOYSA-N -1 1 256.183 2.654 20 0 CFADMM CNC(=O)Cc1ccccc1-c1cc(F)c([O-])cc1F ZINC001211339810 770486005 /nfs/dbraw/zinc/48/60/05/770486005.db2.gz PSAXTRFOXPILRO-UHFFFAOYSA-N -1 1 277.270 2.626 20 0 CFADMM [O-]c1cc(F)c(-c2ccc(N3CCOCC3)nc2)cc1F ZINC001211340218 770486650 /nfs/dbraw/zinc/48/66/50/770486650.db2.gz UKQTUFWLGVBRJH-UHFFFAOYSA-N -1 1 292.285 2.569 20 0 CFADMM Cc1[nH]c(CN2CCc3ccccc3C2)c(C)c1C(=O)[O-] ZINC001140493835 770762396 /nfs/dbraw/zinc/76/23/96/770762396.db2.gz MASRRZLMPYGKJQ-UHFFFAOYSA-N -1 1 284.359 2.888 20 0 CFADMM C[C@@H](OCC[P@](=O)([O-])O)c1cccc(Cl)c1 ZINC001224602722 775224576 /nfs/dbraw/zinc/22/45/76/775224576.db2.gz SSQOWEBFYHQICY-MRVPVSSYSA-N -1 1 264.645 2.595 20 0 CFADMM CC[C@H](OCC[P@](=O)([O-])O)C1CCCCC1 ZINC001224601296 775224702 /nfs/dbraw/zinc/22/47/02/775224702.db2.gz FXTVPCZQTKNRDX-NSHDSACASA-N -1 1 250.275 2.540 20 0 CFADMM CCCCC[C@H](CCC)OCC[P@](=O)([O-])O ZINC001224602489 775224762 /nfs/dbraw/zinc/22/47/62/775224762.db2.gz RMLHHNLEPVKQHI-NSHDSACASA-N -1 1 252.291 2.930 20 0 CFADMM C[C@@H]1CCC[C@H](OCCCC[P@](=O)([O-])O)C1 ZINC001225019103 775335938 /nfs/dbraw/zinc/33/59/38/775335938.db2.gz RIXKDQWFAIGHHY-MNOVXSKESA-N -1 1 250.275 2.540 20 0 CFADMM COc1ccc([C@H](C)OCCCC[P@](=O)([O-])O)cc1 ZINC001225019444 775337612 /nfs/dbraw/zinc/33/76/12/775337612.db2.gz WALNHUJUKBQTMO-NSHDSACASA-N -1 1 288.280 2.731 20 0 CFADMM C[C@H]1CCC[C@@H](OCCCC[P@](=O)([O-])O)C1 ZINC001225022748 775338241 /nfs/dbraw/zinc/33/82/41/775338241.db2.gz RIXKDQWFAIGHHY-WDEREUQCSA-N -1 1 250.275 2.540 20 0 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/nfs/dbraw/zinc/80/11/65/778801165.db2.gz JXZCPPBQWLFWEY-UHFFFAOYSA-N -1 1 275.279 2.997 20 0 CFADMM Cc1ccc(F)c(-c2cc(N3CCCC3)ncn2)c1[O-] ZINC001236394183 778802331 /nfs/dbraw/zinc/80/23/31/778802331.db2.gz ZXCPERXSZPLTFR-UHFFFAOYSA-N -1 1 273.311 2.897 20 0 CFADMM COC(=O)c1nc(-c2c(F)ccc(C)c2[O-])ccc1OC ZINC001236405278 778804057 /nfs/dbraw/zinc/80/40/57/778804057.db2.gz JSBVAYOMDDRMPG-UHFFFAOYSA-N -1 1 291.278 2.697 20 0 CFADMM CC(C)[C@@H]1COCCN1Cc1ccc(Cl)c([O-])c1 ZINC001231736085 778868661 /nfs/dbraw/zinc/86/86/61/778868661.db2.gz DHSXQLDKZGSGLF-ZDUSSCGKSA-N -1 1 269.772 2.902 20 0 CFADMM C[C@H](O)CCCC(=O)Oc1c(Cl)ccc([O-])c1F ZINC001234263901 779185283 /nfs/dbraw/zinc/18/52/83/779185283.db2.gz KDCUOHTXTBZRFJ-ZETCQYMHSA-N -1 1 276.691 2.641 20 0 CFADMM O=C1CCC[C@H]2CN(Cc3cc(F)c([O-])c(Cl)c3)C[C@@H]12 ZINC001237994052 779223770 /nfs/dbraw/zinc/22/37/70/779223770.db2.gz IYYPNXANMODUBV-WDEREUQCSA-N -1 1 297.757 2.986 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](C(F)(F)F)C1 ZINC000388326424 779262971 /nfs/dbraw/zinc/26/29/71/779262971.db2.gz PPWRYMKHRZNSBT-SSDOTTSWSA-N -1 1 277.217 2.556 20 0 CFADMM Cc1ccc(C[N@H+](C)Cc2ccc(F)cc2C(=O)[O-])cn1 ZINC001238243064 779288893 /nfs/dbraw/zinc/28/88/93/779288893.db2.gz UURNGDSXCXPAQX-UHFFFAOYSA-N -1 1 288.322 2.859 20 0 CFADMM Cc1ccc(CN(C)Cc2ccc(F)cc2C(=O)[O-])cn1 ZINC001238243064 779288895 /nfs/dbraw/zinc/28/88/95/779288895.db2.gz UURNGDSXCXPAQX-UHFFFAOYSA-N -1 1 288.322 2.859 20 0 CFADMM C[C@@H]1CCN1Cc1c(Br)ccc([O-])c1F ZINC001238305434 779291867 /nfs/dbraw/zinc/29/18/67/779291867.db2.gz NTADPPQYZPGSIL-SSDOTTSWSA-N -1 1 274.133 2.888 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccn(C(C)C)c3)nc2[n-]1 ZINC001239078393 779456815 /nfs/dbraw/zinc/45/68/15/779456815.db2.gz NGLXZQVPKFIMFZ-UHFFFAOYSA-N -1 1 284.319 2.794 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2ccn(C(C)C)c2)cc1N ZINC001203165968 779531877 /nfs/dbraw/zinc/53/18/77/779531877.db2.gz YZROQBYDQMBMLS-UHFFFAOYSA-N -1 1 293.392 2.760 20 0 CFADMM COc1ccc(-c2c(F)ccc(C)c2[O-])nc1OC ZINC001236392369 779556148 /nfs/dbraw/zinc/55/61/48/779556148.db2.gz RFCSYBBTMYXPDV-UHFFFAOYSA-N -1 1 263.268 2.919 20 0 CFADMM Cn1ccc2cc(-c3ccc([P@@](=O)([O-])O)cc3)ccc21 ZINC001239941990 779876805 /nfs/dbraw/zinc/87/68/05/779876805.db2.gz CUAOEUIQRXBGQY-UHFFFAOYSA-N -1 1 287.255 2.648 20 0 CFADMM Cn1ccc2cc(-c3ccc([P@](=O)([O-])O)cc3)ccc21 ZINC001239941990 779876809 /nfs/dbraw/zinc/87/68/09/779876809.db2.gz CUAOEUIQRXBGQY-UHFFFAOYSA-N -1 1 287.255 2.648 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccc(C)c(F)c3)no2)n[n-]1 ZINC001212429133 780171644 /nfs/dbraw/zinc/17/16/44/780171644.db2.gz BFHGNWVEMQBUJR-UHFFFAOYSA-N -1 1 286.266 2.777 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccc(C)c(F)c3)no2)[n-]n1 ZINC001212429133 780171652 /nfs/dbraw/zinc/17/16/52/780171652.db2.gz BFHGNWVEMQBUJR-UHFFFAOYSA-N -1 1 286.266 2.777 20 0 CFADMM COC(=O)c1cc(C)cc(-c2cc(F)ccc2[O-])n1 ZINC001240693401 780364486 /nfs/dbraw/zinc/36/44/86/780364486.db2.gz AIXFWXSBBNNIDT-UHFFFAOYSA-N -1 1 261.252 2.688 20 0 CFADMM COC(=O)c1cc(C)cnc1-c1cc(F)ccc1[O-] ZINC001240693671 780365000 /nfs/dbraw/zinc/36/50/00/780365000.db2.gz FQPNVXVCCYRHTG-UHFFFAOYSA-N -1 1 261.252 2.688 20 0 CFADMM [O-]c1ccc(F)cc1-c1ncnc2cc3c(cc21)OCCO3 ZINC001240693140 780365305 /nfs/dbraw/zinc/36/53/05/780365305.db2.gz CUTMOOVAFZJHKA-UHFFFAOYSA-N -1 1 298.273 2.913 20 0 CFADMM [O-]c1ccc(F)cc1-c1ncnc2c1ncn2C1CC1 ZINC001240696084 780367246 /nfs/dbraw/zinc/36/72/46/780367246.db2.gz ZNGBARSPNJCHHT-UHFFFAOYSA-N -1 1 270.267 2.673 20 0 CFADMM Cc1noc2ccc(-c3noc(-c4ncccc4[O-])n3)cc12 ZINC001212480785 780395227 /nfs/dbraw/zinc/39/52/27/780395227.db2.gz IJZDLSWNKOUNOW-UHFFFAOYSA-N -1 1 294.270 2.954 20 0 CFADMM [O-]c1ccc(-c2nccc(NCC3CC3)n2)cc1F ZINC001240782981 780436738 /nfs/dbraw/zinc/43/67/38/780436738.db2.gz GZLVESHUUMROMO-UHFFFAOYSA-N -1 1 259.284 2.810 20 0 CFADMM O=C1Cc2cc(-c3c(F)ccc(F)c3F)ccc2C(=O)[N-]1 ZINC001241051017 780615715 /nfs/dbraw/zinc/61/57/15/780615715.db2.gz WOGWASAHWIQRDV-UHFFFAOYSA-N -1 1 291.228 2.583 20 0 CFADMM COC(=O)c1ccnc(-c2c(F)cc([O-])cc2F)c1 ZINC001241117441 780646399 /nfs/dbraw/zinc/64/63/99/780646399.db2.gz ONBDLYZSQOLPCA-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM CCOc1ccc(-c2c(F)cc([O-])cc2F)nn1 ZINC001241117524 780646469 /nfs/dbraw/zinc/64/64/69/780646469.db2.gz REYOCKIDSZYYLA-UHFFFAOYSA-N -1 1 252.220 2.526 20 0 CFADMM CCOc1cc(-c2c(F)cc([O-])cc2F)nc(C)n1 ZINC001241118334 780647404 /nfs/dbraw/zinc/64/74/04/780647404.db2.gz CNIYMGWRFQIDOK-UHFFFAOYSA-N -1 1 266.247 2.835 20 0 CFADMM CN(C)c1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241119038 780647558 /nfs/dbraw/zinc/64/75/58/780647558.db2.gz WAGIVBUGAYDFMR-UHFFFAOYSA-N -1 1 250.248 2.798 20 0 CFADMM Cc1nccn1-c1cncc(-c2c(F)cc([O-])cc2F)n1 ZINC001241120477 780648799 /nfs/dbraw/zinc/64/87/99/780648799.db2.gz WQZVEPMBLWIVDN-UHFFFAOYSA-N -1 1 288.257 2.622 20 0 CFADMM CN1C(=O)NCc2cccc(-c3c(F)cc([O-])cc3F)c21 ZINC001241121157 780649401 /nfs/dbraw/zinc/64/94/01/780649401.db2.gz CHUJCFZUJLRDHG-UHFFFAOYSA-N -1 1 290.269 2.997 20 0 CFADMM COC(=O)c1nccc(-c2c(F)cc([O-])cc2F)c1C ZINC001241121876 780651194 /nfs/dbraw/zinc/65/11/94/780651194.db2.gz QWXQAIQYDXLBHG-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM CC(=O)Nc1ccc(-c2c(F)cc([O-])cc2F)c(C)n1 ZINC001241122239 780651330 /nfs/dbraw/zinc/65/13/30/780651330.db2.gz YOVRXDWPFIYYNJ-UHFFFAOYSA-N -1 1 278.258 2.999 20 0 CFADMM CN1CCc2ccc(-c3c(F)cc([O-])cc3F)cc2C1=O ZINC001241122261 780651384 /nfs/dbraw/zinc/65/13/84/780651384.db2.gz ZQKPEAZZGIGCSX-UHFFFAOYSA-N -1 1 289.281 2.966 20 0 CFADMM O=c1cc(-c2c(F)cc([O-])cc2F)cnn1CC1CCC1 ZINC001241125039 780651950 /nfs/dbraw/zinc/65/19/50/780651950.db2.gz QGOXOYACJROWIX-UHFFFAOYSA-N -1 1 292.285 2.694 20 0 CFADMM O=C1CCc2cc(-c3c(F)cc([O-])cc3F)cnc2N1 ZINC001241122745 780652444 /nfs/dbraw/zinc/65/24/44/780652444.db2.gz XWOIZNZYERPQEO-UHFFFAOYSA-N -1 1 276.242 2.617 20 0 CFADMM COc1ccc(-c2c(F)cc([O-])cc2F)c(F)n1 ZINC001241125028 780652582 /nfs/dbraw/zinc/65/25/82/780652582.db2.gz PUNYCUMMHMIOLE-UHFFFAOYSA-N -1 1 255.195 2.880 20 0 CFADMM Cn1c(=O)ccc2ccc(-c3c(F)ccc([O-])c3F)nc21 ZINC001241290694 780759367 /nfs/dbraw/zinc/75/93/67/780759367.db2.gz BHYLNQVWKAYFKV-UHFFFAOYSA-N -1 1 288.253 2.584 20 0 CFADMM [O-]c1ccc(F)c(-c2ncc(F)c3nccnc32)c1F ZINC001241289650 780759519 /nfs/dbraw/zinc/75/95/19/780759519.db2.gz XQAOVUZMXBBOMO-UHFFFAOYSA-N -1 1 277.205 2.815 20 0 CFADMM [O-]c1ccc(F)c(-c2cc(-c3nnco3)ccn2)c1F ZINC001241290519 780759743 /nfs/dbraw/zinc/75/97/43/780759743.db2.gz UGCQSSKBSQFVFG-UHFFFAOYSA-N -1 1 275.214 2.782 20 0 CFADMM Cc1c[nH]c2ncnc(-c3c(F)ccc([O-])c3F)c12 ZINC001241290104 780760148 /nfs/dbraw/zinc/76/01/48/780760148.db2.gz IBIYFLIONUAWSH-UHFFFAOYSA-N -1 1 261.231 2.869 20 0 CFADMM [O-]c1ccc(F)c(-c2ncc(OCC3CC3)cn2)c1F ZINC001241291213 780761643 /nfs/dbraw/zinc/76/16/43/780761643.db2.gz JNEJLUGIHZVEJU-UHFFFAOYSA-N -1 1 278.258 2.916 20 0 CFADMM CSc1cnc(-c2c(F)ccc([O-])c2F)cn1 ZINC001241293017 780763563 /nfs/dbraw/zinc/76/35/63/780763563.db2.gz NRLIRJBUCKFLHL-UHFFFAOYSA-N -1 1 254.261 2.849 20 0 CFADMM [O-]c1ccc(F)c(-c2cnc(OCC3CC3)cn2)c1F ZINC001241293880 780764186 /nfs/dbraw/zinc/76/41/86/780764186.db2.gz FCMNHSVYCMRHJH-UHFFFAOYSA-N -1 1 278.258 2.916 20 0 CFADMM CSc1cccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1 ZINC001241314981 780776044 /nfs/dbraw/zinc/77/60/44/780776044.db2.gz ADWAXDSQMFMQND-UHFFFAOYSA-N -1 1 283.352 2.888 20 0 CFADMM COC(=O)c1nc2ccc(-c3ncccc3F)cc2[n-]1 ZINC001241541725 780966029 /nfs/dbraw/zinc/96/60/29/780966029.db2.gz TYUUDMCGKAGOSD-UHFFFAOYSA-N -1 1 271.251 2.551 20 0 CFADMM CCOC(=O)c1nc2cc(-c3ccc(CO)cc3)ccc2[n-]1 ZINC001241558352 780978494 /nfs/dbraw/zinc/97/84/94/780978494.db2.gz AYQRXNDJDMTJIF-UHFFFAOYSA-N -1 1 296.326 2.899 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3ccc(CO)cc3)cc2[n-]1 ZINC001241558352 780978498 /nfs/dbraw/zinc/97/84/98/780978498.db2.gz AYQRXNDJDMTJIF-UHFFFAOYSA-N -1 1 296.326 2.899 20 0 CFADMM Cc1cc(C)c(-c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC001241633955 781033554 /nfs/dbraw/zinc/03/35/54/781033554.db2.gz MYHMJNIZLXGJKY-UHFFFAOYSA-N -1 1 265.320 2.854 20 0 CFADMM Cc1cc(C)c(-c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC001241633955 781033562 /nfs/dbraw/zinc/03/35/62/781033562.db2.gz MYHMJNIZLXGJKY-UHFFFAOYSA-N -1 1 265.320 2.854 20 0 CFADMM Cc1[nH]nc2ccc(-c3cnc(C(=O)[O-])c(C)c3)cc12 ZINC001241670281 781063233 /nfs/dbraw/zinc/06/32/33/781063233.db2.gz GZCZAHXLXWEYGC-UHFFFAOYSA-N -1 1 267.288 2.940 20 0 CFADMM Cc1cscc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001241730917 781100280 /nfs/dbraw/zinc/10/02/80/781100280.db2.gz DCXWAFDXBCGUFI-UHFFFAOYSA-N -1 1 254.247 2.527 20 0 CFADMM Cc1cscc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001241730917 781100285 /nfs/dbraw/zinc/10/02/85/781100285.db2.gz DCXWAFDXBCGUFI-UHFFFAOYSA-N -1 1 254.247 2.527 20 0 CFADMM O=C([O-])c1cc(F)cc(-c2cc3[nH]nnc3cc2F)c1 ZINC001241828517 781146556 /nfs/dbraw/zinc/14/65/56/781146556.db2.gz CAAPLKRVAAXHFO-UHFFFAOYSA-N -1 1 275.214 2.601 20 0 CFADMM O=C([O-])C=Cc1ccccc1-c1ccc2[nH]nnc2c1 ZINC001241942137 781196308 /nfs/dbraw/zinc/19/63/08/781196308.db2.gz PNIYGXOTALNYCE-SOFGYWHQSA-N -1 1 265.272 2.723 20 0 CFADMM COc1cnc(-c2cc(C(F)(F)F)ccc2[O-])cn1 ZINC001242132170 781295754 /nfs/dbraw/zinc/29/57/54/781295754.db2.gz YCVPIATXPZPQSA-UHFFFAOYSA-N -1 1 270.210 2.877 20 0 CFADMM [O-]c1ccc(-c2ncc3c(n2)COC3)cc1C(F)(F)F ZINC001242157744 781306656 /nfs/dbraw/zinc/30/66/56/781306656.db2.gz MAWPAURRHMMFFK-UHFFFAOYSA-N -1 1 282.221 2.898 20 0 CFADMM C[C@]1(C(F)(F)F)CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000709340564 781309464 /nfs/dbraw/zinc/30/94/64/781309464.db2.gz LOVXVSXCOLCZGP-LBPRGKRZSA-N -1 1 291.244 2.946 20 0 CFADMM C[C@]1(C(F)(F)F)CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000709339767 781309626 /nfs/dbraw/zinc/30/96/26/781309626.db2.gz HXWPWAMBQHOMOE-LBPRGKRZSA-N -1 1 291.244 2.946 20 0 CFADMM COC(=O)c1ncc(-c2ccc(F)cc2[O-])cc1F ZINC001242218222 781332970 /nfs/dbraw/zinc/33/29/70/781332970.db2.gz YDMLBRKBHXEYFI-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM CCOC(=O)c1c(F)cncc1-c1ccc(F)cc1[O-] ZINC001242218776 781333496 /nfs/dbraw/zinc/33/34/96/781333496.db2.gz POFKHXKJVDVNIY-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM [O-]c1cc(F)ccc1-c1cc(-n2ccnc2)ccn1 ZINC001242217798 781333509 /nfs/dbraw/zinc/33/35/09/781333509.db2.gz VZDYDEOCXXQRHV-UHFFFAOYSA-N -1 1 255.252 2.779 20 0 CFADMM Cc1cnc2ncc(-c3cccc(F)c3[O-])cc2n1 ZINC001242351391 781422592 /nfs/dbraw/zinc/42/25/92/781422592.db2.gz UMLGHUMAYJNGFS-UHFFFAOYSA-N -1 1 255.252 2.845 20 0 CFADMM CS(=O)(=O)c1ccccc1-c1cccc(F)c1[O-] ZINC001242351464 781423330 /nfs/dbraw/zinc/42/33/30/781423330.db2.gz MAADHIGNVMOBGQ-UHFFFAOYSA-N -1 1 266.293 2.602 20 0 CFADMM O=[P@@]([O-])(O)c1ccc(-c2cccc3cc[nH]c32)cc1 ZINC001242362296 781436529 /nfs/dbraw/zinc/43/65/29/781436529.db2.gz GDBLJWDAWZMOJE-UHFFFAOYSA-N -1 1 273.228 2.638 20 0 CFADMM O=[P@]([O-])(O)c1ccc(-c2cccc3cc[nH]c32)cc1 ZINC001242362296 781436532 /nfs/dbraw/zinc/43/65/32/781436532.db2.gz GDBLJWDAWZMOJE-UHFFFAOYSA-N -1 1 273.228 2.638 20 0 CFADMM NC(=O)Cc1ccc(-c2cccc(Cl)c2[O-])cc1 ZINC001242366644 781438878 /nfs/dbraw/zinc/43/88/78/781438878.db2.gz RISZGUWBBLPIOV-UHFFFAOYSA-N -1 1 261.708 2.740 20 0 CFADMM O=c1cc(-c2cccc(Cl)c2[O-])cnn1CC1CC1 ZINC001242366743 781439052 /nfs/dbraw/zinc/43/90/52/781439052.db2.gz BMFCZNGCNSNUIP-UHFFFAOYSA-N -1 1 276.723 2.679 20 0 CFADMM NC(=O)c1nc2ccc(-c3cccc(Cl)c3[O-])cc2o1 ZINC001242367235 781439476 /nfs/dbraw/zinc/43/94/76/781439476.db2.gz JLMBTRLZYRLKAW-UHFFFAOYSA-N -1 1 288.690 2.953 20 0 CFADMM CC(C)n1ncc(-c2cccc(Cl)c2[O-])cc1=O ZINC001242368103 781440253 /nfs/dbraw/zinc/44/02/53/781440253.db2.gz XPLRIUKVXMGWFQ-UHFFFAOYSA-N -1 1 264.712 2.850 20 0 CFADMM Cc1nc(-c2cccc([O-])c2Cl)cc(N(C)C)n1 ZINC001242798282 781764055 /nfs/dbraw/zinc/76/40/55/781764055.db2.gz LDMZOHBAHVIMPL-UHFFFAOYSA-N -1 1 263.728 2.877 20 0 CFADMM CCOC(=O)c1cc(C)nc(-c2cccc([O-])c2Cl)n1 ZINC001242796967 781764075 /nfs/dbraw/zinc/76/40/75/781764075.db2.gz DGKWXGZPUOPBST-UHFFFAOYSA-N -1 1 292.722 2.988 20 0 CFADMM COC(=O)c1ccc(OC)c(-c2cccc([O-])c2Cl)n1 ZINC001242800236 781765334 /nfs/dbraw/zinc/76/53/34/781765334.db2.gz FOFAVJLCUYMTCW-UHFFFAOYSA-N -1 1 293.706 2.903 20 0 CFADMM COc1ncc(-c2cccc([O-])c2Cl)c(C)n1 ZINC001242800748 781765410 /nfs/dbraw/zinc/76/54/10/781765410.db2.gz NTUHDLUFCNLWFH-UHFFFAOYSA-N -1 1 250.685 2.820 20 0 CFADMM CCOC(=O)Cc1ncncc1-c1cccc([O-])c1Cl ZINC001242800709 781765620 /nfs/dbraw/zinc/76/56/20/781765620.db2.gz LTGXOCIALCZAGF-UHFFFAOYSA-N -1 1 292.722 2.608 20 0 CFADMM CON(C)C(=O)c1cccnc1-c1cccc([O-])c1Cl ZINC001242800541 781765930 /nfs/dbraw/zinc/76/59/30/781765930.db2.gz IQQIVALAXLCSLQ-UHFFFAOYSA-N -1 1 292.722 2.741 20 0 CFADMM C[S@@](=O)c1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242802090 781767114 /nfs/dbraw/zinc/76/71/14/781767114.db2.gz QFWWCYHPKULIRO-QGZVFWFLSA-N -1 1 267.737 2.845 20 0 CFADMM O=c1cc(-c2cccc([O-])c2Cl)cnn1CC1CC1 ZINC001242802064 781767434 /nfs/dbraw/zinc/76/74/34/781767434.db2.gz PAGTXPITABZQOW-UHFFFAOYSA-N -1 1 276.723 2.679 20 0 CFADMM CCN(C)c1cc(-c2cccc([O-])c2Cl)ncn1 ZINC001242801808 781767855 /nfs/dbraw/zinc/76/78/55/781767855.db2.gz XKWYCCRFWLJRJY-UHFFFAOYSA-N -1 1 263.728 2.959 20 0 CFADMM [O-]c1c(Cl)cc(-c2ncc3c(n2)CNC3)cc1Cl ZINC001242852121 781801546 /nfs/dbraw/zinc/80/15/46/781801546.db2.gz ZJPVLNDPCGXXCS-UHFFFAOYSA-N -1 1 282.130 2.759 20 0 CFADMM C[C@H]1CC[C@@H](CCC(=O)Nc2cc([O-])c(F)cc2F)O1 ZINC000822394307 781898968 /nfs/dbraw/zinc/89/89/68/781898968.db2.gz YSEBTPHAGBOHHL-IUCAKERBSA-N -1 1 285.290 2.957 20 0 CFADMM CSC[C@@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000124557526 187142982 /nfs/dbraw/zinc/14/29/82/187142982.db2.gz QAZZAVGQNPJULT-SSDOTTSWSA-N -1 1 259.758 2.527 20 0 CFADMM CCc1cc(=O)[n-]c(SCCc2cncs2)n1 ZINC000413008106 529567311 /nfs/dbraw/zinc/56/73/11/529567311.db2.gz WMSZOSPAOFSTGG-UHFFFAOYSA-N -1 1 267.379 2.536 20 0 CFADMM CC[C@H](NC(=O)c1csc(=NC2CC2)[n-]1)C(C)(C)C ZINC000425916755 529579739 /nfs/dbraw/zinc/57/97/39/529579739.db2.gz BUKAMGYWZPKPCZ-NSHDSACASA-N -1 1 281.425 2.694 20 0 CFADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccccc2)[nH]n1 ZINC000126785510 187261679 /nfs/dbraw/zinc/26/16/79/187261679.db2.gz CCFLXPRLUORSGU-UHFFFAOYSA-N -1 1 293.392 2.799 20 0 CFADMM CCCN(C(=O)c1ncc2ccccc2c1[O-])C1CC1 ZINC000668230491 539334413 /nfs/dbraw/zinc/33/44/13/539334413.db2.gz UGDMSDYQCZKITB-UHFFFAOYSA-N -1 1 270.332 2.955 20 0 CFADMM O=C([O-])c1ccc(C[N@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000666575955 539400704 /nfs/dbraw/zinc/40/07/04/539400704.db2.gz AMKVUGUFUPDTCP-UHFFFAOYSA-N -1 1 289.375 2.777 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1cc2ccccc2c(=O)[nH]1 ZINC000089541501 539468975 /nfs/dbraw/zinc/46/89/75/539468975.db2.gz VUYGFYSDVLWZAN-UHFFFAOYSA-N -1 1 298.273 2.625 20 0 CFADMM C[C@@H](CS(=O)(=O)[N-]c1ccccc1O)c1ccccc1 ZINC000149444981 232212682 /nfs/dbraw/zinc/21/26/82/232212682.db2.gz DLELZTVOJASKQO-LBPRGKRZSA-N -1 1 291.372 2.938 20 0 CFADMM O=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1[O-] ZINC000029283394 346280390 /nfs/dbraw/zinc/28/03/90/346280390.db2.gz KULBVPIBXMZBAO-UHFFFAOYSA-N -1 1 289.238 2.515 20 0 CFADMM Cc1ccc(CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000029389625 346280706 /nfs/dbraw/zinc/28/07/06/346280706.db2.gz GISOHVPMKOSZQT-UHFFFAOYSA-N -1 1 298.268 2.703 20 0 CFADMM COCCOc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000031932093 346298575 /nfs/dbraw/zinc/29/85/75/346298575.db2.gz YNCXDMKZUKOLHL-UHFFFAOYSA-N -1 1 287.315 2.670 20 0 CFADMM CCN(CCC(=O)[O-])Cc1coc(-c2cccs2)n1 ZINC000038024872 346337224 /nfs/dbraw/zinc/33/72/24/346337224.db2.gz QXKYURUUSADCME-UHFFFAOYSA-N -1 1 280.349 2.700 20 0 CFADMM CC(C)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)c([O-])c1 ZINC000051453293 346504370 /nfs/dbraw/zinc/50/43/70/346504370.db2.gz QSHJNIXYWHPQDI-UHFFFAOYSA-N -1 1 298.342 2.867 20 0 CFADMM O=C([O-])c1coc(CN2CCCc3ccccc3C2)c1 ZINC000062944878 346694050 /nfs/dbraw/zinc/69/40/50/346694050.db2.gz LOGHGFNXUIXFNB-UHFFFAOYSA-N -1 1 271.316 2.926 20 0 CFADMM CC(C)C[C@H]1COCCN1Cc1ccsc1C(=O)[O-] ZINC000563455274 290154458 /nfs/dbraw/zinc/15/44/58/290154458.db2.gz LFGYUXNYLVILCH-LBPRGKRZSA-N -1 1 283.393 2.693 20 0 CFADMM CCn1c(CCNC(=O)C=C2CCCCC2)n[n-]c1=S ZINC000067076591 346790623 /nfs/dbraw/zinc/79/06/23/346790623.db2.gz DKWUXIXEUKUSEC-UHFFFAOYSA-N -1 1 294.424 2.510 20 0 CFADMM CCc1cc(CNC(=O)c2cc(Cl)ccc2[O-])on1 ZINC000078127890 347230235 /nfs/dbraw/zinc/23/02/35/347230235.db2.gz SSCHWPBOSVCSAP-UHFFFAOYSA-N -1 1 280.711 2.526 20 0 CFADMM C[C@@H](O)C[C@H](C)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000081796454 347436157 /nfs/dbraw/zinc/43/61/57/347436157.db2.gz RSRTZLHNGQHQMJ-NWDGAFQWSA-N -1 1 287.359 2.682 20 0 CFADMM CC(C)(O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000092929761 347651776 /nfs/dbraw/zinc/65/17/76/347651776.db2.gz ZCWVQPKPADBEAX-HNNXBMFYSA-N -1 1 299.370 2.921 20 0 CFADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1csc(-c2ccco2)n1 ZINC000092939139 347652715 /nfs/dbraw/zinc/65/27/15/347652715.db2.gz IWJZNECFKYNLNM-MWLCHTKSSA-N -1 1 292.360 2.698 20 0 CFADMM Cn1c(C(=O)Nc2ccncc2[O-])cc2ccccc21 ZINC000109889400 347747075 /nfs/dbraw/zinc/74/70/75/347747075.db2.gz JMNMCHZIBWKLEF-UHFFFAOYSA-N -1 1 267.288 2.531 20 0 CFADMM Cc1ncsc1CN(C)Cc1ccccc1C(=O)[O-] ZINC000111671119 347755526 /nfs/dbraw/zinc/75/55/26/347755526.db2.gz ASCJZKDHGIRQDM-UHFFFAOYSA-N -1 1 276.361 2.782 20 0 CFADMM CCCCS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000171770119 348080725 /nfs/dbraw/zinc/08/07/25/348080725.db2.gz RWUPBGAYWRXUEK-UHFFFAOYSA-N -1 1 285.413 2.501 20 0 CFADMM C[C@@H]1CN(C(=O)c2cncc([O-])c2)c2ccccc21 ZINC000171863892 348082469 /nfs/dbraw/zinc/08/24/69/348082469.db2.gz NKRXCZOYFNDEKR-SNVBAGLBSA-N -1 1 254.289 2.551 20 0 CFADMM CC[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)CCS1 ZINC000233958109 348218493 /nfs/dbraw/zinc/21/84/93/348218493.db2.gz IXXWGYRJPZSQEO-LLVKDONJSA-N -1 1 283.368 2.851 20 0 CFADMM CC(C)c1ccc([C@@H](C)[N@H+]2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000226452480 348183972 /nfs/dbraw/zinc/18/39/72/348183972.db2.gz MQAINISAPLCYLW-IUODEOHRSA-N -1 1 277.364 2.656 20 0 CFADMM CC(C)c1ccc([C@@H](C)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000226452480 348183975 /nfs/dbraw/zinc/18/39/75/348183975.db2.gz MQAINISAPLCYLW-IUODEOHRSA-N -1 1 277.364 2.656 20 0 CFADMM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(F)cc1F ZINC000229213590 348198660 /nfs/dbraw/zinc/19/86/60/348198660.db2.gz ONFLMDCMDYOPIA-IUPBHXKESA-N -1 1 281.302 2.650 20 0 CFADMM C[C@H]1SCCN(Cc2ccc(C(=O)[O-])c(F)c2)[C@@H]1C ZINC000235690374 348229127 /nfs/dbraw/zinc/22/91/27/348229127.db2.gz AKAIWRYROOZZHK-NXEZZACHSA-N -1 1 283.368 2.850 20 0 CFADMM C[C@@H]1SCCN(Cc2ccc(C(=O)[O-])c(F)c2)[C@H]1C ZINC000300119121 348366305 /nfs/dbraw/zinc/36/63/05/348366305.db2.gz AKAIWRYROOZZHK-UWVGGRQHSA-N -1 1 283.368 2.850 20 0 CFADMM CC(C)[C@H](NC(=O)c1ccc([O-])cc1F)C1CC1 ZINC000323902619 348439149 /nfs/dbraw/zinc/43/91/49/348439149.db2.gz PYYGEGSVJVARDS-ZDUSSCGKSA-N -1 1 251.301 2.696 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@@H]2C[C@@H]2C1 ZINC000380382284 348524143 /nfs/dbraw/zinc/52/41/43/348524143.db2.gz MMPDUDIJSUBZIB-TXEJJXNPSA-N -1 1 253.301 2.637 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H](CCO)C1 ZINC000318973557 539672250 /nfs/dbraw/zinc/67/22/50/539672250.db2.gz ZLSQXBGZDIAZAS-ZDUSSCGKSA-N -1 1 299.370 2.780 20 0 CFADMM O=C(Nc1c([O-])cccc1F)[C@@H]1OCCc2ccccc21 ZINC000092551605 539680399 /nfs/dbraw/zinc/68/03/99/539680399.db2.gz KLMWMZSDXSBFKX-OAHLLOKOSA-N -1 1 287.290 2.784 20 0 CFADMM O=C([N-]c1cnoc1)c1cnc(-c2ccco2)s1 ZINC000590888792 348962510 /nfs/dbraw/zinc/96/25/10/348962510.db2.gz MNDHDPZGYKVCOL-UHFFFAOYSA-N -1 1 261.262 2.643 20 0 CFADMM COc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000591726486 349040496 /nfs/dbraw/zinc/04/04/96/349040496.db2.gz NVQPNDUEPIRWDN-UHFFFAOYSA-N -1 1 270.263 2.738 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)C[C@@H](C)CC(C)(C)C)[n-]1 ZINC000591302913 349006344 /nfs/dbraw/zinc/00/63/44/349006344.db2.gz FAWOENRSFDVVMQ-SNVBAGLBSA-N -1 1 295.383 2.987 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)C[C@@H](C)CC(C)(C)C)n1 ZINC000591302913 349006347 /nfs/dbraw/zinc/00/63/47/349006347.db2.gz FAWOENRSFDVVMQ-SNVBAGLBSA-N -1 1 295.383 2.987 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)C[C@@H]2CCCC[C@H]2C)[n-]1 ZINC000591303327 349007276 /nfs/dbraw/zinc/00/72/76/349007276.db2.gz UGENRTCLJQTNSD-MNOVXSKESA-N -1 1 293.367 2.741 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)C[C@@H]2CCCC[C@H]2C)n1 ZINC000591303327 349007280 /nfs/dbraw/zinc/00/72/80/349007280.db2.gz UGENRTCLJQTNSD-MNOVXSKESA-N -1 1 293.367 2.741 20 0 CFADMM CC[C@H](CN=c1nc(C2CCCCC2)[n-]s1)C(=O)OC ZINC000591976174 349068467 /nfs/dbraw/zinc/06/84/67/349068467.db2.gz RQIFOWJDPQGSMF-SNVBAGLBSA-N -1 1 297.424 2.619 20 0 CFADMM CCOc1cc(C(=O)NC[C@H]2C[C@@H]2C)cc(Cl)c1[O-] ZINC000273993314 192393667 /nfs/dbraw/zinc/39/36/67/192393667.db2.gz XRJPCNDJAMYDEI-WCBMZHEXSA-N -1 1 283.755 2.830 20 0 CFADMM CSCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000597856078 350143954 /nfs/dbraw/zinc/14/39/54/350143954.db2.gz WIFXXAGOGYCIIX-UHFFFAOYSA-N -1 1 279.283 2.504 20 0 CFADMM Cc1ccc(O)c(CN[C@@H](C)c2cccc(O)c2)n1 ZINC000105461200 186057752 /nfs/dbraw/zinc/05/77/52/186057752.db2.gz LNONRCMBUMWFLT-NSHDSACASA-N -1 1 258.321 2.652 20 0 CFADMM CC(=O)c1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)s1 ZINC000677805270 539786086 /nfs/dbraw/zinc/78/60/86/539786086.db2.gz WHCFEOFIVAIGLH-UHFFFAOYSA-N -1 1 288.303 2.993 20 0 CFADMM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cncc([O-])c1 ZINC000109042420 186241022 /nfs/dbraw/zinc/24/10/22/186241022.db2.gz YOZFSIWAPBRYAF-SECBINFHSA-N -1 1 292.285 2.899 20 0 CFADMM O=C(CSc1ccccc1)Nc1ccncc1[O-] ZINC000109890968 186277626 /nfs/dbraw/zinc/27/76/26/186277626.db2.gz QCAPUEGWVVLWMR-UHFFFAOYSA-N -1 1 260.318 2.518 20 0 CFADMM O=C(Nc1ccncc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000109889624 186278366 /nfs/dbraw/zinc/27/83/66/186278366.db2.gz LRDRIUATSRVAMC-UHFFFAOYSA-N -1 1 298.220 2.938 20 0 CFADMM CC(C)(C)C[C@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000109960178 186281012 /nfs/dbraw/zinc/28/10/12/186281012.db2.gz FXASNXMBBFVKPJ-GFCCVEGCSA-N -1 1 262.353 2.828 20 0 CFADMM CCSCCC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000601410942 350731045 /nfs/dbraw/zinc/73/10/45/350731045.db2.gz URZMEZIVROSEIO-UHFFFAOYSA-N -1 1 299.364 2.639 20 0 CFADMM CCc1c(C)[n-]n(-c2ccc(C)c(C(=O)OC)c2)c1=O ZINC000601948100 350815110 /nfs/dbraw/zinc/81/51/10/350815110.db2.gz ACXSFTSLMUAVBV-GFCCVEGCSA-N -1 1 274.320 2.530 20 0 CFADMM CCCc1c(C)[n-]n(-c2ccc(CC(=O)OC)cc2)c1=O ZINC000601955481 350817825 /nfs/dbraw/zinc/81/78/25/350817825.db2.gz IAFPUZAIEZQIFW-AWEZNQCLSA-N -1 1 288.347 2.541 20 0 CFADMM CCCCc1cc(=O)n(-c2ccc(CC(=O)OC)cc2)[n-]1 ZINC000601958714 350819024 /nfs/dbraw/zinc/81/90/24/350819024.db2.gz ORMPEIGUFSNFQM-UHFFFAOYSA-N -1 1 288.347 2.685 20 0 CFADMM CCCc1c(C)[n-]n(-c2cccc(C(=O)OC)c2)c1=O ZINC000601945974 350813702 /nfs/dbraw/zinc/81/37/02/350813702.db2.gz WYMVCDLGAOLLOY-ZDUSSCGKSA-N -1 1 274.320 2.612 20 0 CFADMM CCn1nc(NC(=O)c2cc(F)ccc2[O-])cc1C1CC1 ZINC000271423374 191129157 /nfs/dbraw/zinc/12/91/57/191129157.db2.gz RNCMZLLHZDVYDV-UHFFFAOYSA-N -1 1 289.310 2.877 20 0 CFADMM C[C@H](CC(=O)NC1(c2nn[n-]n2)CCCC1)CC(C)(C)C ZINC000605532606 351252349 /nfs/dbraw/zinc/25/23/49/351252349.db2.gz YOFKVBUHKLLLPS-LLVKDONJSA-N -1 1 293.415 2.548 20 0 CFADMM Cc1ccccc1S(=O)(=O)[N-]c1c(O)cccc1F ZINC000608342052 351422400 /nfs/dbraw/zinc/42/24/00/351422400.db2.gz DGDVTBJAOWXMHU-UHFFFAOYSA-N -1 1 281.308 2.641 20 0 CFADMM COc1ccc(C(=O)Nc2c([O-])cccc2F)cc1F ZINC000608366943 351425700 /nfs/dbraw/zinc/42/57/00/351425700.db2.gz CETPDQMKORZVFA-UHFFFAOYSA-N -1 1 279.242 2.931 20 0 CFADMM Cc1ccn2cc(C(=O)Nc3c([O-])cccc3F)nc2c1 ZINC000608366369 351426105 /nfs/dbraw/zinc/42/61/05/351426105.db2.gz SYQBLVQWRATYDX-UHFFFAOYSA-N -1 1 285.278 2.740 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1noc2c1CCCC2 ZINC000608366123 351426155 /nfs/dbraw/zinc/42/61/55/351426155.db2.gz NXGAHZQVANZUEV-UHFFFAOYSA-N -1 1 276.267 2.650 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1ccc2c(c1)OCCO2 ZINC000608365652 351426172 /nfs/dbraw/zinc/42/61/72/351426172.db2.gz PKCUKFFUCYYUBD-UHFFFAOYSA-N -1 1 289.262 2.555 20 0 CFADMM Cc1nc(-c2ccc(N(C)CCC3CC3)nc2)[n-]c(=O)c1C ZINC000120282699 186889294 /nfs/dbraw/zinc/88/92/94/186889294.db2.gz KHTWFYWEHUBSKX-UHFFFAOYSA-N -1 1 298.390 2.685 20 0 CFADMM C[C@H]1CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000611648563 351719917 /nfs/dbraw/zinc/71/99/17/351719917.db2.gz DFFZXAXSCFWFEF-JTQLQIEISA-N -1 1 256.305 2.565 20 0 CFADMM O=C(Cn1cc(C2CC2)cn1)Nc1ccc([O-])c(Cl)c1 ZINC000612760075 351859609 /nfs/dbraw/zinc/85/96/09/351859609.db2.gz QWNDDAZLAXCZJT-UHFFFAOYSA-N -1 1 291.738 2.758 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC2(C1)CCOCC2 ZINC000613347464 351943122 /nfs/dbraw/zinc/94/31/22/351943122.db2.gz BNYQKTAPQNLFCZ-UHFFFAOYSA-N -1 1 297.354 2.798 20 0 CFADMM Cc1noc(C2CC2)c1[N-]C(=O)c1onc2c1CCCC2 ZINC000613430154 351958189 /nfs/dbraw/zinc/95/81/89/351958189.db2.gz MLFJDQFLZOBLKL-UHFFFAOYSA-N -1 1 287.319 2.980 20 0 CFADMM Cc1noc(C2CC2)c1[N-]C(=O)c1ncccc1F ZINC000613430092 351958333 /nfs/dbraw/zinc/95/83/33/351958333.db2.gz LBNQPGMUMQQGBR-UHFFFAOYSA-N -1 1 261.256 2.647 20 0 CFADMM CCCc1c(C)[nH]n(-c2cccc(C(=O)[O-])c2)c1=O ZINC000614184611 352057864 /nfs/dbraw/zinc/05/78/64/352057864.db2.gz APFLCJRUWASYKZ-GFCCVEGCSA-N -1 1 260.293 2.524 20 0 CFADMM CCC[C@H]1CCC[C@H]1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000615219085 352168092 /nfs/dbraw/zinc/16/80/92/352168092.db2.gz PJTNRHHQNULMFF-VHSXEESVSA-N -1 1 251.330 2.579 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C1CCC(C(F)(F)F)CC1 ZINC000615222444 352169988 /nfs/dbraw/zinc/16/99/88/352169988.db2.gz SDHSMSZVPMSPOC-UHFFFAOYSA-N -1 1 291.273 2.731 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000615222691 352170097 /nfs/dbraw/zinc/17/00/97/352170097.db2.gz UFOTXUPLEKLHPC-GRYCIOLGSA-N -1 1 277.368 2.969 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000615226957 352170680 /nfs/dbraw/zinc/17/06/80/352170680.db2.gz NKNRZSNDGVECNV-WPRPVWTQSA-N -1 1 251.330 2.579 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC000615227209 352170824 /nfs/dbraw/zinc/17/08/24/352170824.db2.gz FOXMJUDMKUONOC-QWRGUYRKSA-N -1 1 263.341 2.579 20 0 CFADMM C[C@H]1C[C@@H](NC(=O)c2ncc3ccccc3c2[O-])CS1 ZINC000616270792 352318190 /nfs/dbraw/zinc/31/81/90/352318190.db2.gz JANDVFQJQPFYQL-GXSJLCMTSA-N -1 1 288.372 2.564 20 0 CFADMM CCOC(=O)C1(CC(=O)Nc2c([O-])cccc2F)CCC1 ZINC000616170300 352295239 /nfs/dbraw/zinc/29/52/39/352295239.db2.gz PTUORMGOHDNWIA-UHFFFAOYSA-N -1 1 295.310 2.593 20 0 CFADMM C[C@@H]1SCC[C@H]1NC(=O)c1ncc2ccccc2c1[O-] ZINC000616503426 352360782 /nfs/dbraw/zinc/36/07/82/352360782.db2.gz ORLALBZTJJRXDF-JOYOIKCWSA-N -1 1 288.372 2.564 20 0 CFADMM CC(C)C[C@H](C(=O)Nc1nnn[n-]1)c1ccc(Cl)cc1 ZINC000668867941 539867288 /nfs/dbraw/zinc/86/72/88/539867288.db2.gz WDYRCVNEZNSJHE-NSHDSACASA-N -1 1 293.758 2.622 20 0 CFADMM CC(C)C[C@H](C(=O)Nc1nn[n-]n1)c1ccc(Cl)cc1 ZINC000668867941 539867290 /nfs/dbraw/zinc/86/72/90/539867290.db2.gz WDYRCVNEZNSJHE-NSHDSACASA-N -1 1 293.758 2.622 20 0 CFADMM COCc1ncsc1C(=O)[N-]c1cnccc1SC ZINC000670802565 539888454 /nfs/dbraw/zinc/88/84/54/539888454.db2.gz AISUFIMGANAFOU-UHFFFAOYSA-N -1 1 295.389 2.659 20 0 CFADMM Cc1sc(NC(=O)c2cncc([O-])c2)nc1C(C)C ZINC000617247867 352523577 /nfs/dbraw/zinc/52/35/77/352523577.db2.gz VZVDBILPFNQQKD-UHFFFAOYSA-N -1 1 277.349 2.928 20 0 CFADMM CCC(O)(CC)C(C)(C)CNC(=O)c1c([O-])cccc1F ZINC000617509301 352573560 /nfs/dbraw/zinc/57/35/60/352573560.db2.gz HQJQPXSFHSXRFU-UHFFFAOYSA-N -1 1 297.370 2.838 20 0 CFADMM C[C@H](C(=O)[N-]OC1CCCC1)c1cccc(F)c1 ZINC000271624939 191246619 /nfs/dbraw/zinc/24/66/19/191246619.db2.gz AOSNVTFZNPLAEK-JTQLQIEISA-N -1 1 251.301 2.920 20 0 CFADMM COc1cc(C(=O)NCCC(C)(C)F)cc(Cl)c1[O-] ZINC000618404124 352767417 /nfs/dbraw/zinc/76/74/17/352767417.db2.gz CDENSNHLDXTBHH-UHFFFAOYSA-N -1 1 289.734 2.922 20 0 CFADMM C[C@H]1CSCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000669002126 539927114 /nfs/dbraw/zinc/92/71/14/539927114.db2.gz ZXCTTWCBYXKVAN-JTQLQIEISA-N -1 1 288.372 2.518 20 0 CFADMM C[C@@]1(CNC(=O)c2ncc3ccccc3c2[O-])CC1(F)F ZINC000618599049 352830576 /nfs/dbraw/zinc/83/05/76/352830576.db2.gz SUDFRKRHDNBRTJ-AWEZNQCLSA-N -1 1 292.285 2.716 20 0 CFADMM CCN(CC(C)(C)C)C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000292175364 198191335 /nfs/dbraw/zinc/19/13/35/198191335.db2.gz VFYYLDULEZTIQK-UHFFFAOYSA-N -1 1 297.424 2.721 20 0 CFADMM C[C@]1(CCNC(=O)c2c(F)ccc([O-])c2F)CC1(F)F ZINC000618636506 352847591 /nfs/dbraw/zinc/84/75/91/352847591.db2.gz UDKNVWHNQIIDOM-LBPRGKRZSA-N -1 1 291.244 2.836 20 0 CFADMM CC[C@@](C)(NC(=O)c1ccc([O-])cc1F)C1CC1 ZINC000618956631 352918564 /nfs/dbraw/zinc/91/85/64/352918564.db2.gz PQRVJXFLDCYDHJ-CQSZACIVSA-N -1 1 251.301 2.840 20 0 CFADMM CC[C@](C)(NC(=O)c1ccc([O-])c(F)c1)C1CC1 ZINC000618959588 352919295 /nfs/dbraw/zinc/91/92/95/352919295.db2.gz BAJKTTXRAIKKML-AWEZNQCLSA-N -1 1 251.301 2.840 20 0 CFADMM O=C(NC[C@@H](CO)CC1CC1)c1cc2ccccc2cc1[O-] ZINC000619047147 352942120 /nfs/dbraw/zinc/94/21/20/352942120.db2.gz CTSJHMGEKAFFIW-ZDUSSCGKSA-N -1 1 299.370 2.684 20 0 CFADMM O=C(NCC1=CCCC1)c1ccc(Br)c([O-])c1 ZINC000620007379 353094818 /nfs/dbraw/zinc/09/48/18/353094818.db2.gz YGVBTHQPZRHLNV-UHFFFAOYSA-N -1 1 296.164 2.995 20 0 CFADMM O=C(C(=O)N1CCC[C@@H](C2CCC2)C1)c1ccc([O-])cc1 ZINC000620205307 353132223 /nfs/dbraw/zinc/13/22/23/353132223.db2.gz ZCCQVKRNYLNMQD-CQSZACIVSA-N -1 1 287.359 2.614 20 0 CFADMM O=C(N=c1nc(-c2ccccc2)[n-]s1)NOCC1CC1 ZINC000292325268 198245647 /nfs/dbraw/zinc/24/56/47/198245647.db2.gz MSIJSPMKELHEKH-UHFFFAOYSA-N -1 1 290.348 2.668 20 0 CFADMM O=C(c1ncccc1[O-])N1CCCC[C@H]1CC1CCC1 ZINC000620569610 353189637 /nfs/dbraw/zinc/18/96/37/353189637.db2.gz YTFTZSBZXLWXEI-ZDUSSCGKSA-N -1 1 274.364 2.972 20 0 CFADMM CC(C)(C)C(F)(F)CNC(=O)c1ccc([O-])cc1F ZINC000620614495 353201144 /nfs/dbraw/zinc/20/11/44/353201144.db2.gz RCXXILFMBJEFFV-UHFFFAOYSA-N -1 1 275.270 2.943 20 0 CFADMM O=C([N-]O[C@@H]1CCCCO1)Nc1c(F)cccc1F ZINC000155469357 188208619 /nfs/dbraw/zinc/20/86/19/188208619.db2.gz RZSAAJVAMNLQQQ-SNVBAGLBSA-N -1 1 272.251 2.545 20 0 CFADMM Cc1c(NC(=O)c2cccc3cn[nH]c32)cccc1C(=O)[O-] ZINC000621575393 353381157 /nfs/dbraw/zinc/38/11/57/353381157.db2.gz CYSSDFZLGQPXAV-UHFFFAOYSA-N -1 1 295.298 2.822 20 0 CFADMM CC1(C)[C@@H]2CN(C(=O)c3ncc4ccccc4c3[O-])C[C@@H]21 ZINC000669220118 540001691 /nfs/dbraw/zinc/00/16/91/540001691.db2.gz PHLPOBLSXUSMLQ-BETUJISGSA-N -1 1 282.343 2.668 20 0 CFADMM O=C([O-])CCCCN1CCc2cc(Cl)ccc2C1 ZINC000566359793 290375093 /nfs/dbraw/zinc/37/50/93/290375093.db2.gz YIJUHVJJUAIAOI-UHFFFAOYSA-N -1 1 267.756 2.953 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1Cc2cccc(F)c2C1 ZINC000622693352 353534611 /nfs/dbraw/zinc/53/46/11/353534611.db2.gz GCGLVXCBCIXEQF-UHFFFAOYSA-N -1 1 275.254 2.826 20 0 CFADMM COc1cc(C(=O)N2CC(CC3CC3)C2)cc(Cl)c1[O-] ZINC000623040837 353579319 /nfs/dbraw/zinc/57/93/19/353579319.db2.gz NQRFDJZIIXAIPX-UHFFFAOYSA-N -1 1 295.766 2.926 20 0 CFADMM CCO[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)C(C)C ZINC000627680352 354391256 /nfs/dbraw/zinc/39/12/56/354391256.db2.gz DVZKYWBARPQHGD-GFCCVEGCSA-N -1 1 273.279 2.670 20 0 CFADMM CCc1onc(C)c1[N-]C(=O)c1coc2c1C(=O)CCC2 ZINC000823576204 781932863 /nfs/dbraw/zinc/93/28/63/781932863.db2.gz WMUSHURFWUUQNY-UHFFFAOYSA-N -1 1 288.303 2.910 20 0 CFADMM CCOc1cc(C(=O)N[C@@H](C)C2CC2)cc(Cl)c1[O-] ZINC000171007520 188709763 /nfs/dbraw/zinc/70/97/63/188709763.db2.gz USPFPSONWWGBFS-QMMMGPOBSA-N -1 1 283.755 2.973 20 0 CFADMM CCC(F)(F)C(C)(C)CNC(=O)c1ncccc1[O-] ZINC000628881988 354697638 /nfs/dbraw/zinc/69/76/38/354697638.db2.gz XDIKPHROLKVISW-UHFFFAOYSA-N -1 1 272.295 2.589 20 0 CFADMM Cc1ccn([C@H](C)CC(=O)Nc2cccc(F)c2[O-])n1 ZINC000628960677 354707674 /nfs/dbraw/zinc/70/76/74/354707674.db2.gz VEIIGBDCXUVOTB-SNVBAGLBSA-N -1 1 277.299 2.626 20 0 CFADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCC(F)(F)C1 ZINC000628960089 354707755 /nfs/dbraw/zinc/70/77/55/354707755.db2.gz SHLHNIFVPHPYET-SSDOTTSWSA-N -1 1 259.227 2.905 20 0 CFADMM CC(C)COCCC(=O)Nc1cccc(F)c1[O-] ZINC000628961015 354707808 /nfs/dbraw/zinc/70/78/08/354707808.db2.gz MOZPUZCWIMAVLR-UHFFFAOYSA-N -1 1 255.289 2.533 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CC2(C1)CCCO2 ZINC000628785411 354677263 /nfs/dbraw/zinc/67/72/63/354677263.db2.gz CSZNPNVTFCQRIH-UHFFFAOYSA-N -1 1 283.327 2.550 20 0 CFADMM CC1(C)CCC[C@](CO)(NC(=O)c2ccc([O-])cc2F)C1 ZINC000628805581 354681050 /nfs/dbraw/zinc/68/10/50/354681050.db2.gz IJZWKAGYXZQROP-INIZCTEOSA-N -1 1 295.354 2.592 20 0 CFADMM CC1(C)CCC[C@@](CO)(NC(=O)c2c([O-])cccc2F)C1 ZINC000628809077 354682296 /nfs/dbraw/zinc/68/22/96/354682296.db2.gz WGQRULQUEZNXDV-MRXNPFEDSA-N -1 1 295.354 2.592 20 0 CFADMM CCO[C@@H](CSc1nc(C2CC2)cc(=O)[n-]1)C1CC1 ZINC000629176294 354764883 /nfs/dbraw/zinc/76/48/83/354764883.db2.gz STYTWFMLQHVGPN-LBPRGKRZSA-N -1 1 280.393 2.967 20 0 CFADMM CCC(CC)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629374301 354793069 /nfs/dbraw/zinc/79/30/69/354793069.db2.gz RNHSPZSZTGQXDE-UHFFFAOYSA-N -1 1 273.336 2.953 20 0 CFADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000629376288 354794461 /nfs/dbraw/zinc/79/44/61/354794461.db2.gz UKVNPZUIHCOMEN-FOLVSLTJSA-N -1 1 297.358 2.953 20 0 CFADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000629379285 354795973 /nfs/dbraw/zinc/79/59/73/354795973.db2.gz CTYZPBZTDIIZJW-GDNZZTSVSA-N -1 1 283.331 2.563 20 0 CFADMM Cc1nccc(N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1Cl ZINC000629767490 354926167 /nfs/dbraw/zinc/92/61/67/354926167.db2.gz BAUUWFOMJJHSDG-WPRPVWTQSA-N -1 1 268.744 2.590 20 0 CFADMM C/C=C/C[C@@H]1CCCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000629873992 354949035 /nfs/dbraw/zinc/94/90/35/354949035.db2.gz URORSWVUGCBWPG-YWVDXFKGSA-N -1 1 287.359 2.780 20 0 CFADMM CN(C(=O)N=c1[n-]sc2ccccc21)[C@H]1CCSC1 ZINC000630348588 355058918 /nfs/dbraw/zinc/05/89/18/355058918.db2.gz JKBDPCODLBIBRC-VIFPVBQESA-N -1 1 293.417 2.687 20 0 CFADMM CC(C)CN(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630707618 355155884 /nfs/dbraw/zinc/15/58/84/355155884.db2.gz BGCYCZAWJQJJEJ-UHFFFAOYSA-N -1 1 255.745 2.703 20 0 CFADMM C[C@@H]1OCC[C@H]1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000631010931 355245910 /nfs/dbraw/zinc/24/59/10/355245910.db2.gz VCZPPPMWRKIBGG-BQBZGAKWSA-N -1 1 294.298 2.718 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CC2(CC2)C1 ZINC000334847723 540133152 /nfs/dbraw/zinc/13/31/52/540133152.db2.gz PPMWHGRQVFHYJZ-UHFFFAOYSA-N -1 1 253.301 2.781 20 0 CFADMM FC(F)(F)c1nc(=N[C@H]2CCCC23CC3)s[n-]1 ZINC000631417572 355429588 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CCn1nc(C)c(C=C2SC(=S)[N-]C2=O)c1C ZINC000058604577 373662679 /nfs/dbraw/zinc/66/26/79/373662679.db2.gz DNWBUPFGCFVLBM-UITAMQMPSA-N -1 1 267.379 2.849 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1Cc2ccccc2O1 ZINC000070333848 374167151 /nfs/dbraw/zinc/16/71/51/374167151.db2.gz LQXUBAZODKKJNE-CQSZACIVSA-N -1 1 289.718 2.988 20 0 CFADMM CN(Cc1cccs1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000073653928 374364734 /nfs/dbraw/zinc/36/47/34/374364734.db2.gz RPRCHSVDHUTFPA-UHFFFAOYSA-N -1 1 299.355 2.669 20 0 CFADMM O=C(/C=C\c1ccc[nH]1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000492040120 246165984 /nfs/dbraw/zinc/16/59/84/246165984.db2.gz IYFHJAQNNFFBNL-WAYWQWQTSA-N -1 1 284.344 2.540 20 0 CFADMM CSc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccn1 ZINC000678030063 541937841 /nfs/dbraw/zinc/93/78/41/541937841.db2.gz IKNSBFKHZLTMRS-UHFFFAOYSA-N -1 1 298.364 2.743 20 0 CFADMM O=S(=O)([N-]CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000074969663 374451477 /nfs/dbraw/zinc/45/14/77/374451477.db2.gz LQQKJGSILLZPBT-UHFFFAOYSA-N -1 1 290.118 2.537 20 0 CFADMM C[C@@H]1CCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000075414665 374479869 /nfs/dbraw/zinc/47/98/69/374479869.db2.gz IZHPWULDJVCSPT-MRVPVSSYSA-N -1 1 284.153 2.779 20 0 CFADMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H]1C ZINC000075411757 374480284 /nfs/dbraw/zinc/48/02/84/374480284.db2.gz HKTXNZJYFKIYBP-IUCAKERBSA-N -1 1 253.729 2.774 20 0 CFADMM CCn1nccc1/C=C\C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000492411713 246284758 /nfs/dbraw/zinc/28/47/58/246284758.db2.gz YXVUAHXGJBKTGS-XQRVVYSFSA-N -1 1 291.738 2.914 20 0 CFADMM C[C@@H]1[C@H](C(=O)Nc2ccc([O-])c(F)c2F)[C@H]1C1CC1 ZINC000529467944 383704614 /nfs/dbraw/zinc/70/46/14/383704614.db2.gz ZSUBFMJVBXSOTR-FZYJTZEISA-N -1 1 267.275 2.901 20 0 CFADMM O=C(/C=C/c1cncs1)Nc1ccc(F)cc1[O-] ZINC000493645910 246654389 /nfs/dbraw/zinc/65/43/89/246654389.db2.gz HSCKDBHUNNQFJE-DUXPYHPUSA-N -1 1 264.281 2.640 20 0 CFADMM CCS[C@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000092226733 375097634 /nfs/dbraw/zinc/09/76/34/375097634.db2.gz JMBQTYCQPXNTNA-AAEUAGOBSA-N -1 1 283.368 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ZINC000334509579 379421463 /nfs/dbraw/zinc/42/14/63/379421463.db2.gz MQEGOMYZTVQZQZ-UHFFFAOYSA-N -1 1 284.315 2.911 20 0 CFADMM O=S(=O)([N-][C@@H]1CC[C@H](F)C1)c1sccc1Cl ZINC000334536318 379476699 /nfs/dbraw/zinc/47/66/99/379476699.db2.gz LMLZZOSCLFKPRL-NKWVEPMBSA-N -1 1 283.777 2.570 20 0 CFADMM CCC1(c2ccccc2)CN(C(=O)c2ncccc2[O-])C1 ZINC000334612259 379623117 /nfs/dbraw/zinc/62/31/17/379623117.db2.gz BLEAYMALOCKDFQ-UHFFFAOYSA-N -1 1 282.343 2.591 20 0 CFADMM Cc1ccnc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000335676137 379703447 /nfs/dbraw/zinc/70/34/47/379703447.db2.gz DPDCLWSBBHTAFG-UHFFFAOYSA-N -1 1 264.231 2.626 20 0 CFADMM Cc1c(F)cccc1NC(=O)c1ccc(O)cc1[O-] ZINC000174109683 379828767 /nfs/dbraw/zinc/82/87/67/379828767.db2.gz CMZQGHAAFYHATA-UHFFFAOYSA-N -1 1 261.252 2.798 20 0 CFADMM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000335767765 379855994 /nfs/dbraw/zinc/85/59/94/379855994.db2.gz OJGBQTIDQJRUJA-GMSGAONNSA-N -1 1 291.244 2.944 20 0 CFADMM CC(C)c1cnc(NC(=O)c2cncc([O-])c2)s1 ZINC000174392230 379876836 /nfs/dbraw/zinc/87/68/36/379876836.db2.gz UUVWSEJMNZPUFB-UHFFFAOYSA-N -1 1 263.322 2.619 20 0 CFADMM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000335813836 379931499 /nfs/dbraw/zinc/93/14/99/379931499.db2.gz NDYKULDLGRUMPY-RFAUZJTJSA-N -1 1 287.290 2.783 20 0 CFADMM Cc1cnc(C(=O)N(C)[C@H]2CCCC[C@H]2C)c([O-])c1 ZINC000335818635 379941416 /nfs/dbraw/zinc/94/14/16/379941416.db2.gz XWOJBVRLHCFKIC-NEPJUHHUSA-N -1 1 262.353 2.746 20 0 CFADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(C)cc2F)c1C ZINC000335851939 379995796 /nfs/dbraw/zinc/99/57/96/379995796.db2.gz ACPVHVPOAGVMFX-UHFFFAOYSA-N -1 1 297.355 2.529 20 0 CFADMM C[C@H]1CN(C(=O)c2cncc([O-])c2)[C@@H]1c1ccccc1 ZINC000175162388 380009983 /nfs/dbraw/zinc/00/99/83/380009983.db2.gz QULNUACJUWVQTK-NHYWBVRUSA-N -1 1 268.316 2.620 20 0 CFADMM O=C(N[C@@H]1CCCC[C@H]1F)c1ccc([O-])cc1F ZINC000335208273 380010795 /nfs/dbraw/zinc/01/07/95/380010795.db2.gz ADNSTPFIRGVWSC-ZYHUDNBSSA-N -1 1 255.264 2.542 20 0 CFADMM CC1(C)CC[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)O1 ZINC000335216976 380022916 /nfs/dbraw/zinc/02/29/16/380022916.db2.gz OTSFMSLWPHSEOY-VIFPVBQESA-N -1 1 271.263 2.567 20 0 CFADMM Cc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c(F)c1 ZINC000335217140 380023123 /nfs/dbraw/zinc/02/31/23/380023123.db2.gz GCPMHERUFVMKMM-UHFFFAOYSA-N -1 1 288.204 2.523 20 0 CFADMM O=c1nc(CN2CCCC23CCC3)[n-]c2ccsc21 ZINC000335243159 380068308 /nfs/dbraw/zinc/06/83/08/380068308.db2.gz LFESQJLMOZWFQH-UHFFFAOYSA-N -1 1 275.377 2.915 20 0 CFADMM [O-]c1ccc(-c2noc([C@H]3CCSC3)n2)cc1F ZINC000335244811 380071948 /nfs/dbraw/zinc/07/19/48/380071948.db2.gz BSJFVUSYAQFXDA-QMMMGPOBSA-N -1 1 266.297 2.802 20 0 CFADMM Cc1c(NCc2cccc([O-])c2Cl)cnn1C ZINC000335929601 380119236 /nfs/dbraw/zinc/11/92/36/380119236.db2.gz ZYUVUEQOIVWSIQ-UHFFFAOYSA-N -1 1 251.717 2.700 20 0 CFADMM Cc1nc(C)c(NC(=O)c2c(F)ccc([O-])c2F)s1 ZINC000335955721 380156737 /nfs/dbraw/zinc/15/67/37/380156737.db2.gz KHGMGVVUWNQTRT-UHFFFAOYSA-N -1 1 284.287 2.996 20 0 CFADMM CN(Cc1ccoc1)C(=O)c1c(F)ccc([O-])c1F ZINC000336001592 380221325 /nfs/dbraw/zinc/22/13/25/380221325.db2.gz VSAUWDMYHLEXSP-UHFFFAOYSA-N -1 1 267.231 2.536 20 0 CFADMM Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CC[C@H](Nc3ccccc3)C2)n1 ZINC000177921229 380394013 /nfs/dbraw/zinc/39/40/13/380394013.db2.gz BPOWOQPUFWFVAB-HIFRSBDPSA-N -1 1 298.390 2.738 20 0 CFADMM O=C(c1cncc([O-])c1)N(CC1CC1)C1CCCCC1 ZINC000279137957 194299920 /nfs/dbraw/zinc/29/99/20/194299920.db2.gz ADIWAPRRBQOROV-UHFFFAOYSA-N -1 1 274.364 2.972 20 0 CFADMM Cc1[nH]ncc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000179444676 380544988 /nfs/dbraw/zinc/54/49/88/380544988.db2.gz FKZGMDFTXVCGOA-UHFFFAOYSA-N -1 1 286.118 2.983 20 0 CFADMM COc1cc(C(=O)N[C@H]2CCC2(C)C)cc(Cl)c1[O-] ZINC000336619223 380560545 /nfs/dbraw/zinc/56/05/45/380560545.db2.gz AYZJCBSINHHRIT-NSHDSACASA-N -1 1 283.755 2.973 20 0 CFADMM CCCc1cnc(NC(=O)c2ccc(O)cc2[O-])s1 ZINC000180254928 380640282 /nfs/dbraw/zinc/64/02/82/380640282.db2.gz IWMQQSRYLLJWFK-UHFFFAOYSA-N -1 1 278.333 2.759 20 0 CFADMM COCC[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180478305 380666254 /nfs/dbraw/zinc/66/62/54/380666254.db2.gz KJOXPLSHODOTDP-QMMMGPOBSA-N -1 1 291.269 2.566 20 0 CFADMM CSC[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180568362 380677487 /nfs/dbraw/zinc/67/74/87/380677487.db2.gz VIPAGQPATQJRKM-SSDOTTSWSA-N -1 1 293.310 2.892 20 0 CFADMM Cc1ccccc1CS(=O)(=O)[N-]c1cc(C(C)C)[nH]n1 ZINC000180818564 380702881 /nfs/dbraw/zinc/70/28/81/380702881.db2.gz MYJPFHHYEKOVAM-UHFFFAOYSA-N -1 1 293.392 2.783 20 0 CFADMM CS[C@H]1CCC[C@@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000181225275 380760938 /nfs/dbraw/zinc/76/09/38/380760938.db2.gz PFEZABIBXNVNBC-KOLCDFICSA-N -1 1 283.368 2.935 20 0 CFADMM C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCCCC(=O)[O-] ZINC000181553695 380825121 /nfs/dbraw/zinc/82/51/21/380825121.db2.gz RZKMXXCEYRBNOO-DZGCQCFKSA-N -1 1 277.364 2.703 20 0 CFADMM C[C@H]1CO[C@@H](c2ccccc2)CN1CCCCC(=O)[O-] ZINC000181553695 380825126 /nfs/dbraw/zinc/82/51/26/380825126.db2.gz RZKMXXCEYRBNOO-DZGCQCFKSA-N -1 1 277.364 2.703 20 0 CFADMM O=C(NCCC[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000401371352 380869732 /nfs/dbraw/zinc/86/97/32/380869732.db2.gz GEKPOAMZWMAJQZ-SNVBAGLBSA-N -1 1 283.755 2.592 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)C[C@@H]3C[C@H]3C)[nH][n-]2)s1 ZINC000353771100 380840168 /nfs/dbraw/zinc/84/01/68/380840168.db2.gz IJGUOULRJTUTNN-SCZZXKLOSA-N -1 1 275.377 2.853 20 0 CFADMM C[C@@H]1CC[C@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@@H](C)C1 ZINC000287518341 380854929 /nfs/dbraw/zinc/85/49/29/380854929.db2.gz RFETUZAGFRBPHN-SUNKGSAMSA-N -1 1 275.348 2.516 20 0 CFADMM COc1cccc(C2(NC(=O)c3ncc(C)cc3[O-])CC2)c1 ZINC000341376831 380976153 /nfs/dbraw/zinc/97/61/53/380976153.db2.gz OWYISYCAVYKSKH-UHFFFAOYSA-N -1 1 298.342 2.523 20 0 CFADMM C[C@H](CCO)CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000295558372 380941091 /nfs/dbraw/zinc/94/10/91/380941091.db2.gz MNVLWZGZFSNBRC-LBPRGKRZSA-N -1 1 287.359 2.684 20 0 CFADMM Cc1cnc(C(=O)N[C@@H](C)c2ccc(F)cc2F)c([O-])c1 ZINC000358713096 381028442 /nfs/dbraw/zinc/02/84/42/381028442.db2.gz FJMFQSUOYARWDN-VIFPVBQESA-N -1 1 292.285 2.865 20 0 CFADMM CCC1(CC)CCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000288005690 380991076 /nfs/dbraw/zinc/99/10/76/380991076.db2.gz RAJLOEYCQHKISR-UHFFFAOYSA-N -1 1 275.348 2.614 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@H](C2CC2)O1 ZINC000279307154 194377134 /nfs/dbraw/zinc/37/71/34/194377134.db2.gz DVLCUYKSSPMXGM-YMTOWFKASA-N -1 1 295.766 2.685 20 0 CFADMM Cc1cc(CSc2nc(C(F)F)cc(=O)[n-]2)on1 ZINC000289615125 381067249 /nfs/dbraw/zinc/06/72/49/381067249.db2.gz UQMJFBCWBXWVRD-UHFFFAOYSA-N -1 1 273.264 2.709 20 0 CFADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cc(=O)[nH]1 ZINC000182878323 381177504 /nfs/dbraw/zinc/17/75/04/381177504.db2.gz BAKSDXGPVYVELN-UHFFFAOYSA-N -1 1 278.695 2.707 20 0 CFADMM COc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)ccn1 ZINC000358985077 381194014 /nfs/dbraw/zinc/19/40/14/381194014.db2.gz UMOKQZJJISWPOC-UHFFFAOYSA-N -1 1 292.360 2.508 20 0 CFADMM Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)CC(F)F)n2)o1 ZINC000412199838 381208594 /nfs/dbraw/zinc/20/85/94/381208594.db2.gz WNRRUUJOSOMSAQ-LURJTMIESA-N -1 1 284.266 2.603 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N(C)Cc3ccoc3)cnc2n1 ZINC000342305655 381264903 /nfs/dbraw/zinc/26/49/03/381264903.db2.gz KWSKCJRRIAPBTQ-UHFFFAOYSA-N -1 1 297.314 2.509 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)Cc1ccoc1)c2=O ZINC000342305655 381264906 /nfs/dbraw/zinc/26/49/06/381264906.db2.gz KWSKCJRRIAPBTQ-UHFFFAOYSA-N -1 1 297.314 2.509 20 0 CFADMM CC(C)(C)[C@H]1CN(C(=O)c2c(F)ccc([O-])c2F)CCO1 ZINC000289985866 381249612 /nfs/dbraw/zinc/24/96/12/381249612.db2.gz BXCATFMFGXOJIR-LLVKDONJSA-N -1 1 299.317 2.558 20 0 CFADMM COc1ncc(C(=O)Nc2ccc(F)cc2[O-])cc1Cl ZINC000354508428 381309782 /nfs/dbraw/zinc/30/97/82/381309782.db2.gz XEYZGHQAAXQZKA-UHFFFAOYSA-N -1 1 296.685 2.841 20 0 CFADMM COCC1CCC(NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000412696341 381407207 /nfs/dbraw/zinc/40/72/07/381407207.db2.gz PLDPOZMQUZQPAT-UHFFFAOYSA-N -1 1 299.317 2.605 20 0 CFADMM CC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])[C@@H](O)C(C)C ZINC000412713339 381414004 /nfs/dbraw/zinc/41/40/04/381414004.db2.gz MSEBBCQJGFUCTF-YPMHNXCESA-N -1 1 285.771 2.571 20 0 CFADMM CSc1cccc([N-]S(=O)(=O)Cc2ccccc2)n1 ZINC000342632232 381446104 /nfs/dbraw/zinc/44/61/04/381446104.db2.gz CZSLMCQGIZDDCK-UHFFFAOYSA-N -1 1 294.401 2.745 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)c3ccoc3)[nH][n-]2)s1 ZINC000354786771 381452852 /nfs/dbraw/zinc/45/28/52/381452852.db2.gz FGSCJCBKVIISFH-UHFFFAOYSA-N -1 1 273.317 2.714 20 0 CFADMM CCCc1cc(=O)[n-]c(SCCn2cc(Cl)cn2)n1 ZINC000412973868 381511997 /nfs/dbraw/zinc/51/19/97/381511997.db2.gz BDSUIBOBEZGZMP-UHFFFAOYSA-N -1 1 298.799 2.777 20 0 CFADMM CCC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185052752 381524619 /nfs/dbraw/zinc/52/46/19/381524619.db2.gz CYQIXTIPHVGDRT-UHFFFAOYSA-N -1 1 288.372 2.817 20 0 CFADMM Cc1nc(S[C@@H]2CCOC(C)(C)C2)[n-]c(=O)c1C ZINC000412998671 381528752 /nfs/dbraw/zinc/52/87/52/381528752.db2.gz JPDGAQJDXQMTOA-SNVBAGLBSA-N -1 1 268.382 2.849 20 0 CFADMM Cc1ccc(CCNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000348528183 381611611 /nfs/dbraw/zinc/61/16/11/381611611.db2.gz AQPWXLUTAHEQLD-UHFFFAOYSA-N -1 1 291.297 2.951 20 0 CFADMM C[C@H](CC1CC1)NC(=O)c1c(F)ccc([O-])c1F ZINC000348532496 381613626 /nfs/dbraw/zinc/61/36/26/381613626.db2.gz PPKPVMWZHYIQMF-SSDOTTSWSA-N -1 1 255.264 2.589 20 0 CFADMM CC1(C[N-]S(=O)(=O)c2cc(F)ccc2F)CCCC1 ZINC000342999497 381645316 /nfs/dbraw/zinc/64/53/16/381645316.db2.gz DLBDATGFKSWWGK-UHFFFAOYSA-N -1 1 289.347 2.823 20 0 CFADMM C[C@H]1CSCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000298591402 381682129 /nfs/dbraw/zinc/68/21/29/381682129.db2.gz RTGKPKQNIHUIMR-SECBINFHSA-N -1 1 295.433 2.582 20 0 CFADMM CCCc1nc(=NCc2nc3cccc(C)c3[nH]2)s[n-]1 ZINC000360048409 381749755 /nfs/dbraw/zinc/74/97/55/381749755.db2.gz UPKXXQSARCSEDT-UHFFFAOYSA-N -1 1 287.392 2.709 20 0 CFADMM O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1ncccc1[O-] ZINC000343558626 381795484 /nfs/dbraw/zinc/79/54/84/381795484.db2.gz BRDOSDXJRGKSHJ-UONOGXRCSA-N -1 1 282.343 2.853 20 0 CFADMM Cc1nc(=N[C@@H]2CCN([C@H](C)c3ccccc3)C2)s[n-]1 ZINC000356631232 381857797 /nfs/dbraw/zinc/85/77/97/381857797.db2.gz VFWIZRUTOJFIQV-BXUZGUMPSA-N -1 1 288.420 2.516 20 0 CFADMM C[C@@H](C1CC1)n1cc(NC(=O)c2ccc(O)cc2[O-])cn1 ZINC000186367802 381893001 /nfs/dbraw/zinc/89/30/01/381893001.db2.gz GDJYLYNKJKCDRK-VIFPVBQESA-N -1 1 287.319 2.518 20 0 CFADMM CCOc1cc(C(=O)NCC2CCC2)cc(Cl)c1[O-] ZINC000186597734 381959872 /nfs/dbraw/zinc/95/98/72/381959872.db2.gz BGXNHAXNECADJP-UHFFFAOYSA-N -1 1 283.755 2.974 20 0 CFADMM Cc1cccc(CS(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)c1 ZINC000186605348 381962825 /nfs/dbraw/zinc/96/28/25/381962825.db2.gz VVJYZGSQZCBNJL-UHFFFAOYSA-N -1 1 293.392 2.783 20 0 CFADMM O=C(Cc1ccc2c(c1)CCCC2)[N-]O[C@@H]1CCCCO1 ZINC000299516275 381969327 /nfs/dbraw/zinc/96/93/27/381969327.db2.gz KCKZHVHLLOIMKT-QGZVFWFLSA-N -1 1 289.375 2.682 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H]2OCC[C@H]2C1 ZINC000373303877 381973852 /nfs/dbraw/zinc/97/38/52/381973852.db2.gz ADWLXHXDZZNEBN-XJKSGUPXSA-N 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KMKOPACGJNPPSB-UHFFFAOYSA-N -1 1 297.401 2.747 20 0 CFADMM Cc1cnc(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)c([O-])c1 ZINC000357639507 382261918 /nfs/dbraw/zinc/26/19/18/382261918.db2.gz MNGZIYICJDSBQZ-UONOGXRCSA-N -1 1 282.343 2.629 20 0 CFADMM CCOC(=O)c1cnc(C(C)=Cc2cccc(C)c2)[n-]c1=O ZINC000188020107 382326513 /nfs/dbraw/zinc/32/65/13/382326513.db2.gz MNEMTSOEOQNNFL-FMIVXFBMSA-N -1 1 298.342 2.816 20 0 CFADMM CC(C)c1nnc(CSc2nc(C3CC3)cc(=O)[n-]2)o1 ZINC000188128853 382350727 /nfs/dbraw/zinc/35/07/27/382350727.db2.gz OVNOOUHOYAHNTN-UHFFFAOYSA-N -1 1 292.364 2.858 20 0 CFADMM Cc1nc(CSc2nc(C3CC3)cc(=O)[n-]2)oc1C ZINC000188138080 382353628 /nfs/dbraw/zinc/35/36/28/382353628.db2.gz VOELLEJKIGLTKM-UHFFFAOYSA-N -1 1 277.349 2.957 20 0 CFADMM C[C@]12CCN(C(=O)c3cc(F)ccc3[O-])C[C@H]1C2(F)F ZINC000294009791 382377146 /nfs/dbraw/zinc/37/71/46/382377146.db2.gz MUFHCRFWYPTIDF-YPMHNXCESA-N -1 1 285.265 2.649 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CC=CCC1 ZINC000188363594 382399178 /nfs/dbraw/zinc/39/91/78/382399178.db2.gz WHCNZFHJENMFTN-MRVPVSSYSA-N -1 1 252.701 2.735 20 0 CFADMM CC[C@@H](C)C[N-]S(=O)(=O)c1sccc1Cl ZINC000420710643 382451598 /nfs/dbraw/zinc/45/15/98/382451598.db2.gz WCWMFBPLIWCSSU-SSDOTTSWSA-N -1 1 267.803 2.726 20 0 CFADMM O=C(NCc1ccccc1OCC1CC1)c1ncccc1[O-] ZINC000352704962 382452383 /nfs/dbraw/zinc/45/23/83/382452383.db2.gz HYCHLBNAFJABMG-UHFFFAOYSA-N -1 1 298.342 2.506 20 0 CFADMM COc1ccc(F)cc1CNC(=O)c1cc(F)ccc1[O-] ZINC000188676024 382455321 /nfs/dbraw/zinc/45/53/21/382455321.db2.gz KIKPONZFBSYMSE-UHFFFAOYSA-N -1 1 293.269 2.609 20 0 CFADMM Cc1nc(S[C@@H]2Cc3ccccc3C2=O)[n-]c(=O)c1C ZINC000346712378 382486903 /nfs/dbraw/zinc/48/69/03/382486903.db2.gz BCNXTUVFEJNQMH-GFCCVEGCSA-N -1 1 286.356 2.699 20 0 CFADMM O=C(NCCCCF)c1ccc(Br)cc1[O-] ZINC000309273550 382488911 /nfs/dbraw/zinc/48/89/11/382488911.db2.gz RNXUAGGVYYYTQD-UHFFFAOYSA-N -1 1 290.132 2.634 20 0 CFADMM C[C@@H](NC(=O)c1cncc([O-])c1)[C@@H]1CC2CCC1CC2 ZINC000381580688 382521448 /nfs/dbraw/zinc/52/14/48/382521448.db2.gz BPXHRMRFXFCTOO-FLRBZUCHSA-N -1 1 274.364 2.732 20 0 CFADMM COCC1CCN(Cc2cccc(C(=O)[O-])c2Cl)CC1 ZINC000381619774 382522878 /nfs/dbraw/zinc/52/28/78/382522878.db2.gz RIXLNUIQRHJKSO-UHFFFAOYSA-N -1 1 297.782 2.897 20 0 CFADMM CC1(C)[C@@H](O)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000314126366 382524786 /nfs/dbraw/zinc/52/47/86/382524786.db2.gz DWVMGYJLWZONPY-AWEZNQCLSA-N -1 1 285.343 2.531 20 0 CFADMM O=C(c1ccc(Br)cc1[O-])N1CC=CCC1 ZINC000163160709 542340821 /nfs/dbraw/zinc/34/08/21/542340821.db2.gz NFUFQJKPPUCPLE-UHFFFAOYSA-N -1 1 282.137 2.557 20 0 CFADMM COCCN(Cc1ccc(C(=O)[O-])o1)Cc1ccccc1 ZINC000384380551 382553139 /nfs/dbraw/zinc/55/31/39/382553139.db2.gz GKALZOWZOGSZKW-UHFFFAOYSA-N -1 1 289.331 2.626 20 0 CFADMM CC(C)c1nc(=NC[C@H](C)COCc2ccccc2)o[n-]1 ZINC000346871350 382553134 /nfs/dbraw/zinc/55/31/34/382553134.db2.gz MIZIGJATOZBXCA-ZDUSSCGKSA-N -1 1 289.379 2.880 20 0 CFADMM CCOC(=O)c1csc(=N[C@@H]2C[C@H]2CC(C)C)[n-]1 ZINC000385285708 382568127 /nfs/dbraw/zinc/56/81/27/382568127.db2.gz BCJHLAYLMAIBTQ-NXEZZACHSA-N -1 1 268.382 2.588 20 0 CFADMM Cc1nc([C@H]2CCCN2C(=O)c2cncc([O-])c2)cs1 ZINC000189253298 382575120 /nfs/dbraw/zinc/57/51/20/382575120.db2.gz WBBDMHIAKWPTTN-CYBMUJFWSA-N -1 1 289.360 2.529 20 0 CFADMM CN(CCc1cccs1)Cc1nc(C(=O)[O-])cs1 ZINC000386106415 382583924 /nfs/dbraw/zinc/58/39/24/382583924.db2.gz SKAOADULMNMRBM-UHFFFAOYSA-N -1 1 282.390 2.577 20 0 CFADMM CO[C@H]([C@H](C)NC(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000388290377 382604994 /nfs/dbraw/zinc/60/49/94/382604994.db2.gz VGCHXQMGEZOLAK-ISVAXAHUSA-N -1 1 283.755 2.589 20 0 CFADMM CC1(C)C[C@@H](O)CC[N@@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000295198945 382581158 /nfs/dbraw/zinc/58/11/58/382581158.db2.gz JXXPSWHQSUMLJA-JTQLQIEISA-N -1 1 285.334 2.653 20 0 CFADMM CC(C)(O)CN(C(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000190091047 382653276 /nfs/dbraw/zinc/65/32/76/382653276.db2.gz ZPIQTSQDNJLXBW-UHFFFAOYSA-N -1 1 299.370 2.921 20 0 CFADMM O=C(Nc1cccc(OC(F)F)c1)c1ccc(O)cc1[O-] 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280.349 2.698 20 0 CFADMM Cc1cnc(C(=O)N(C)CCCc2ccccc2)c([O-])c1 ZINC000495040667 382953944 /nfs/dbraw/zinc/95/39/44/382953944.db2.gz FWTYVOHBOKLVDC-UHFFFAOYSA-N -1 1 284.359 2.800 20 0 CFADMM C[C@H]([N-]S(=O)(=O)c1sccc1F)C1CCCC1 ZINC000338896945 383078777 /nfs/dbraw/zinc/07/87/77/383078777.db2.gz AZGTYBXSAGSIRS-QMMMGPOBSA-N -1 1 277.386 2.744 20 0 CFADMM CCC(CC)NC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000447902433 383026953 /nfs/dbraw/zinc/02/69/53/383026953.db2.gz JRZFOFYRUXACQF-UHFFFAOYSA-N -1 1 273.336 2.562 20 0 CFADMM CCC(CC)NC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000447902433 383026956 /nfs/dbraw/zinc/02/69/56/383026956.db2.gz JRZFOFYRUXACQF-UHFFFAOYSA-N -1 1 273.336 2.562 20 0 CFADMM CCSc1nnc([N-]C(=O)c2ncoc2C2CC2)s1 ZINC000339074278 383140845 /nfs/dbraw/zinc/14/08/45/383140845.db2.gz CISDUOVRRBCBNF-UHFFFAOYSA-N -1 1 296.377 2.768 20 0 CFADMM O=S(=O)([N-]CC1(C2CC2)CCC1)c1sccc1F ZINC000338935377 383091218 /nfs/dbraw/zinc/09/12/18/383091218.db2.gz RYDAFRNSFCWECC-UHFFFAOYSA-N -1 1 289.397 2.746 20 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CC(C)c1nc(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)cs1 ZINC000311565561 413088510 /nfs/dbraw/zinc/08/85/10/413088510.db2.gz PJCODRZLHGMRDM-JQWIXIFHSA-N -1 1 282.409 2.809 20 0 CFADMM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc(F)c(F)cc1F ZINC000650795445 413168299 /nfs/dbraw/zinc/16/82/99/413168299.db2.gz WRMSKTXPTBBTEU-JMCQJSRRSA-N -1 1 273.254 2.541 20 0 CFADMM O=C(NCC(C1CC1)C1CC1)c1cc(F)ccc1[O-] ZINC000147695848 397604573 /nfs/dbraw/zinc/60/45/73/397604573.db2.gz KCTRVWXRGPBONJ-UHFFFAOYSA-N -1 1 263.312 2.697 20 0 CFADMM CSc1ccc(CN(CC(=O)[O-])CC2CC2)s1 ZINC000650799024 413171183 /nfs/dbraw/zinc/17/11/83/413171183.db2.gz QSWQDIYYGFUBLN-UHFFFAOYSA-N -1 1 271.407 2.767 20 0 CFADMM CC[C@@H]1COC(C)(C)CN1C(=O)c1cc(F)ccc1[O-] ZINC000403846354 413182264 /nfs/dbraw/zinc/18/22/64/413182264.db2.gz VDZWYTYHAWIABC-LLVKDONJSA-N -1 1 281.327 2.561 20 0 CFADMM Cc1sc(C(=O)[O-])cc1CN1CCO[C@@](C)(C2CC2)C1 ZINC000656756803 413185693 /nfs/dbraw/zinc/18/56/93/413185693.db2.gz HQAQYINPEZTUMD-OAHLLOKOSA-N -1 1 295.404 2.756 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534063905 /nfs/dbraw/zinc/06/39/05/534063905.db2.gz DRBKUJJYTXHZOA-UHFFFAOYSA-N -1 1 285.299 2.740 20 0 CFADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)nc1 ZINC000426742012 534077473 /nfs/dbraw/zinc/07/74/73/534077473.db2.gz HZVMAKMSZPXSOC-CQSZACIVSA-N -1 1 290.750 2.959 20 0 CFADMM CSc1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1F ZINC001243364059 782160796 /nfs/dbraw/zinc/16/07/96/782160796.db2.gz OPYKRYAOKHUUOB-UHFFFAOYSA-N -1 1 287.323 2.790 20 0 CFADMM CSc1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1F ZINC001243364059 782160802 /nfs/dbraw/zinc/16/08/02/782160802.db2.gz OPYKRYAOKHUUOB-UHFFFAOYSA-N -1 1 287.323 2.790 20 0 CFADMM C[C@@]1([N-]S(=O)(=O)c2cc(F)ccc2F)CC=CCC1 ZINC000416559910 534275165 /nfs/dbraw/zinc/27/51/65/534275165.db2.gz OZQZXXVKVQCEHL-CYBMUJFWSA-N -1 1 287.331 2.742 20 0 CFADMM O=C(Nc1ccccc1N1CCCC1)c1ccc(O)cc1[O-] ZINC000192709590 534396547 /nfs/dbraw/zinc/39/65/47/534396547.db2.gz UADOTORKFAAEHN-UHFFFAOYSA-N -1 1 298.342 2.950 20 0 CFADMM CC(C)=CC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340873448 519438581 /nfs/dbraw/zinc/43/85/81/519438581.db2.gz FUIUBSVVDQESCJ-UHFFFAOYSA-N -1 1 277.748 2.724 20 0 CFADMM Cc1ccoc1CN[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000426743732 534449222 /nfs/dbraw/zinc/44/92/22/534449222.db2.gz VFEJRMZUZMSQMJ-LLVKDONJSA-N -1 1 253.342 2.957 20 0 CFADMM CC(Cl)(Cl)C(=O)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000363729840 520153721 /nfs/dbraw/zinc/15/37/21/520153721.db2.gz NBOCFKDFVMCOOB-ZETCQYMHSA-N -1 1 296.100 2.708 20 0 CFADMM CC1(C)C[C@@H]1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000231346443 520537309 /nfs/dbraw/zinc/53/73/09/520537309.db2.gz SWYLPAUIEOQXTC-SECBINFHSA-N -1 1 298.180 2.931 20 0 CFADMM O=C([O-])c1coc(CNCc2c[nH]nc2-c2ccccc2)c1 ZINC000426702490 534551518 /nfs/dbraw/zinc/55/15/18/534551518.db2.gz BMYYEILUZYGCQR-UHFFFAOYSA-N -1 1 297.314 2.658 20 0 CFADMM CCOc1cccc(-c2cccc([N-]S(C)(=O)=O)n2)c1 ZINC000365160033 521312920 /nfs/dbraw/zinc/31/29/20/521312920.db2.gz IFMLSDDQVRISEQ-UHFFFAOYSA-N -1 1 292.360 2.519 20 0 CFADMM CCC1(C)CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000334389139 521677702 /nfs/dbraw/zinc/67/77/02/521677702.db2.gz ROJUGWSOYWSGJA-UHFFFAOYSA-N -1 1 299.374 2.575 20 0 CFADMM CNC(=O)c1cnc(/C=C/c2cc([O-])cc(F)c2)s1 ZINC000336055403 521925487 /nfs/dbraw/zinc/92/54/87/521925487.db2.gz JUUSRURWBPVWJI-NSCUHMNNSA-N -1 1 278.308 2.518 20 0 CFADMM COCc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000075581217 523079793 /nfs/dbraw/zinc/07/97/93/523079793.db2.gz ZICCOZSGBAYRER-UHFFFAOYSA-N -1 1 291.372 2.942 20 0 CFADMM CC[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)C[C@@H](CC)O1 ZINC000335066210 523418460 /nfs/dbraw/zinc/41/84/60/523418460.db2.gz AVYKXTWVYHEHEK-NXEZZACHSA-N -1 1 299.317 2.700 20 0 CFADMM CO[C@@H](C)c1nc(=NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)s[n-]1 ZINC000338484698 523458614 /nfs/dbraw/zinc/45/86/14/523458614.db2.gz MZGJQNRERGONMX-USZNOCQGSA-N -1 1 299.440 2.673 20 0 CFADMM CC[C@]1(O)CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000336158115 523625425 /nfs/dbraw/zinc/62/54/25/523625425.db2.gz WDLNMECEAMBXHL-KRWDZBQOSA-N -1 1 285.343 2.532 20 0 CFADMM CO[C@@H]1CCC[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000050375392 523659973 /nfs/dbraw/zinc/65/99/73/523659973.db2.gz PXTAJCBIMCHFFJ-GDBMZVCRSA-N -1 1 285.343 2.843 20 0 CFADMM CO[C@H](C)CCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000360841592 523864509 /nfs/dbraw/zinc/86/45/09/523864509.db2.gz IFQUETBAYWRULR-SNVBAGLBSA-N -1 1 289.335 2.536 20 0 CFADMM CC[C@H](C)CNC(=O)c1ccc(Br)c([O-])c1 ZINC000233987390 523883288 /nfs/dbraw/zinc/88/32/88/523883288.db2.gz VGJXMOFIUGWSMA-QMMMGPOBSA-N -1 1 286.169 2.931 20 0 CFADMM CC[C@H](C)[N@H+](CC(=O)[O-])Cc1cccc([O-])c1Cl ZINC000328443666 523929726 /nfs/dbraw/zinc/92/97/26/523929726.db2.gz HUVXCHJWLGAUNV-VIFPVBQESA-N -1 1 271.744 2.731 20 0 CFADMM CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cccc([O-])c1Cl ZINC000328443666 523929729 /nfs/dbraw/zinc/92/97/29/523929729.db2.gz HUVXCHJWLGAUNV-VIFPVBQESA-N -1 1 271.744 2.731 20 0 CFADMM C[C@H]1CCC[C@H](CCNC(=O)c2cncc([O-])c2)C1 ZINC000070540709 524194804 /nfs/dbraw/zinc/19/48/04/524194804.db2.gz SNPLSDAOXJZSLK-NWDGAFQWSA-N -1 1 262.353 2.733 20 0 CFADMM COc1ccc(F)cc1CN1CCC(CCC(=O)[O-])CC1 ZINC000050926493 524308294 /nfs/dbraw/zinc/30/82/94/524308294.db2.gz ZIWAEDOVRKAGIN-UHFFFAOYSA-N -1 1 295.354 2.911 20 0 CFADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccn(-c2ccccc2)n1 ZINC000263519921 524339228 /nfs/dbraw/zinc/33/92/28/524339228.db2.gz QMJFCLDODYOAAJ-UONOGXRCSA-N -1 1 299.374 2.557 20 0 CFADMM Cc1cnc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c([O-])c1 ZINC000336107958 525966973 /nfs/dbraw/zinc/96/69/73/525966973.db2.gz MYXXFHBLTNEZOD-VTXSZYRJSA-N -1 1 286.375 2.746 20 0 CFADMM Cc1cnc(C(=O)N2CCC[C@@H]2CC(C)C)c([O-])c1 ZINC000336106524 525968307 /nfs/dbraw/zinc/96/83/07/525968307.db2.gz XMFNUKJGMMZAPN-GFCCVEGCSA-N -1 1 262.353 2.746 20 0 CFADMM C[C@H](c1c(F)cccc1F)N(C)CCCC(=O)[O-] ZINC000083662698 526033833 /nfs/dbraw/zinc/03/38/33/526033833.db2.gz JPBBMGJAJNLUCI-SECBINFHSA-N -1 1 257.280 2.822 20 0 CFADMM Cc1cnc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)o1 ZINC000151040270 526059250 /nfs/dbraw/zinc/05/92/50/526059250.db2.gz 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IPUSQBNRLLHUFQ-DZGCQCFKSA-N -1 1 275.323 2.792 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000335661243 526703800 /nfs/dbraw/zinc/70/38/00/526703800.db2.gz FRSMTMBHGZTPFZ-NHYWBVRUSA-N -1 1 293.338 2.563 20 0 CFADMM Cc1nc(C)c(CNC(=O)c2c([O-])cccc2F)s1 ZINC000312066052 526722063 /nfs/dbraw/zinc/72/20/63/526722063.db2.gz FLHYWOCPXQOHSQ-UHFFFAOYSA-N -1 1 280.324 2.535 20 0 CFADMM NC(=O)[C@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000336043646 526834033 /nfs/dbraw/zinc/83/40/33/526834033.db2.gz VXDWQWIGHSMJHX-DTWKUNHWSA-N -1 1 280.299 2.811 20 0 CFADMM O=C(c1ncccc1[O-])N(Cc1ccccc1)CC(F)F ZINC000153917341 526921042 /nfs/dbraw/zinc/92/10/42/526921042.db2.gz HGQJHRSPSQEAKR-UHFFFAOYSA-N -1 1 292.285 2.695 20 0 CFADMM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(Br)c([O-])c1 ZINC000335492713 526977433 /nfs/dbraw/zinc/97/74/33/526977433.db2.gz BIZAEFNDOQVLHH-ILWJIGKKSA-N -1 1 296.164 2.683 20 0 CFADMM NC(=O)c1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000328468108 527067097 /nfs/dbraw/zinc/06/70/97/527067097.db2.gz MDVDAKGWWBMILH-UHFFFAOYSA-N -1 1 276.723 2.757 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cc(-c2ccncc2)on1 ZINC000340329133 527213589 /nfs/dbraw/zinc/21/35/89/527213589.db2.gz UZFYFBRMDLRTOS-UHFFFAOYSA-N -1 1 299.261 2.834 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cc(-c2ccccn2)no1 ZINC000340331947 527214310 /nfs/dbraw/zinc/21/43/10/527214310.db2.gz ULNOGCONZKRENA-UHFFFAOYSA-N -1 1 299.261 2.834 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cc(-c2ccco2)[nH]n1 ZINC000340331791 527214568 /nfs/dbraw/zinc/21/45/68/527214568.db2.gz XUMZRBFGYGXWPK-UHFFFAOYSA-N -1 1 287.250 2.767 20 0 CFADMM O=S(=O)([N-]C[C@H]1CC=CCC1)c1sccc1F ZINC000338873176 527226565 /nfs/dbraw/zinc/22/65/65/527226565.db2.gz IUEUQKHEIBMFNL-VIFPVBQESA-N -1 1 275.370 2.522 20 0 CFADMM O=S(=O)([N-]c1cc(C2CC2)n[nH]1)c1ccc(Cl)cc1 ZINC000336062671 527244416 /nfs/dbraw/zinc/24/44/16/527244416.db2.gz JDHUZFDGHQDMRD-UHFFFAOYSA-N -1 1 297.767 2.741 20 0 CFADMM O=S(=O)([N-]c1cccc(-n2ccnc2)c1)c1ccccc1 ZINC000083668182 527252487 /nfs/dbraw/zinc/25/24/87/527252487.db2.gz HHZMYBUBIAXYSM-UHFFFAOYSA-N -1 1 299.355 2.673 20 0 CFADMM CCO[C@@H](CCNC(=O)c1cc(F)ccc1[O-])C(C)C ZINC000175263803 527727848 /nfs/dbraw/zinc/72/78/48/527727848.db2.gz WWKNCWJSFCYEBB-AWEZNQCLSA-N -1 1 283.343 2.712 20 0 CFADMM CC1(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCC1 ZINC000175695006 527985024 /nfs/dbraw/zinc/98/50/24/527985024.db2.gz HKDUIMYFXQBTKJ-UHFFFAOYSA-N -1 1 293.310 2.572 20 0 CFADMM CCC[C@H](NC(=O)C[C@@H](C)C1CCCCC1)c1nn[n-]n1 ZINC000176750397 528177731 /nfs/dbraw/zinc/17/77/31/528177731.db2.gz OORZHTYYCMTEBI-YPMHNXCESA-N -1 1 293.415 2.764 20 0 CFADMM CCCc1csc(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)n1 ZINC000422639114 528668697 /nfs/dbraw/zinc/66/86/97/528668697.db2.gz WBCGVASXLDNXCQ-WDEREUQCSA-N -1 1 282.409 2.638 20 0 CFADMM CCCC[C@@H](CCC)NC(=O)c1cncc([O-])c1 ZINC000175000507 528794456 /nfs/dbraw/zinc/79/44/56/528794456.db2.gz PAJZFLZWXBQNMX-GFCCVEGCSA-N -1 1 250.342 2.876 20 0 CFADMM CCC[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C1CCC1 ZINC000414400544 528994198 /nfs/dbraw/zinc/99/41/98/528994198.db2.gz MPBHOJXBCICCLZ-CYBMUJFWSA-N -1 1 299.374 2.622 20 0 CFADMM CC(C)[C@H](NC(=O)c1c([O-])cccc1F)C(F)(F)F ZINC000413990807 529107447 /nfs/dbraw/zinc/10/74/47/529107447.db2.gz UETGOEAJUZRPDS-JTQLQIEISA-N -1 1 279.233 2.848 20 0 CFADMM C[C@@H]1CCC[C@H](C)N1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736774906 574071860 /nfs/dbraw/zinc/07/18/60/574071860.db2.gz KZWRATOZMJSOPZ-TXEJJXNPSA-N -1 1 290.363 2.586 20 0 CFADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccccn1 ZINC000744388201 574072256 /nfs/dbraw/zinc/07/22/56/574072256.db2.gz KCFBLAVZSIDXLV-VIFPVBQESA-N -1 1 276.723 2.932 20 0 CFADMM CN(CC1CCCC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736794374 574075873 /nfs/dbraw/zinc/07/58/73/574075873.db2.gz RKNGFJCRXZATCC-UHFFFAOYSA-N -1 1 292.774 2.542 20 0 CFADMM CN(CC1CCCC1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736794374 574075876 /nfs/dbraw/zinc/07/58/76/574075876.db2.gz RKNGFJCRXZATCC-UHFFFAOYSA-N -1 1 292.774 2.542 20 0 CFADMM CC[C@@H](C(=O)OCc1ccc(C(=O)[O-])cc1)N(CC)CC ZINC000736860024 574082191 /nfs/dbraw/zinc/08/21/91/574082191.db2.gz OEFMJPHUDIIOGS-AWEZNQCLSA-N -1 1 293.363 2.548 20 0 CFADMM CC[C@@H](C)CN(C)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736879281 574084024 /nfs/dbraw/zinc/08/40/24/574084024.db2.gz DAXNCRWAILYJLQ-BXKDBHETSA-N -1 1 294.395 2.879 20 0 CFADMM CC[C@H](C)N(C)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000736883308 574084114 /nfs/dbraw/zinc/08/41/14/574084114.db2.gz MHHLAPKEIHWTFZ-QMMMGPOBSA-N -1 1 298.408 2.732 20 0 CFADMM C[C@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)C1CC1 ZINC000754036667 574086049 /nfs/dbraw/zinc/08/60/49/574086049.db2.gz FJLPPDSRSOFMAI-SNVBAGLBSA-N -1 1 279.361 2.757 20 0 CFADMM CCCCCCN(C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736983579 574090949 /nfs/dbraw/zinc/09/09/49/574090949.db2.gz OOLZMBYUAJTNSC-UHFFFAOYSA-N -1 1 292.379 2.835 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)/C=C\C2CC2)c1 ZINC000745552475 574115756 /nfs/dbraw/zinc/11/57/56/574115756.db2.gz JVWFXLRUQCHEPO-DAXSKMNVSA-N -1 1 274.316 2.647 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)CC2CCC2)c1 ZINC000745569246 574118037 /nfs/dbraw/zinc/11/80/37/574118037.db2.gz FIXZQMWLZQZZIW-UHFFFAOYSA-N -1 1 276.332 2.871 20 0 CFADMM c1cc(NCCCC2CCCC2)nc(-c2nnn[n-]2)c1 ZINC000738413738 574167912 /nfs/dbraw/zinc/16/79/12/574167912.db2.gz XAUOYJBRKNIMCE-UHFFFAOYSA-N -1 1 272.356 2.644 20 0 CFADMM c1cc(NCCCC2CCCC2)nc(-c2nn[n-]n2)c1 ZINC000738413738 574167916 /nfs/dbraw/zinc/16/79/16/574167916.db2.gz XAUOYJBRKNIMCE-UHFFFAOYSA-N -1 1 272.356 2.644 20 0 CFADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCC1CCC1 ZINC000738437655 574169098 /nfs/dbraw/zinc/16/90/98/574169098.db2.gz SELGGGNOLNLHJA-UHFFFAOYSA-N -1 1 280.335 2.627 20 0 CFADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCC1CCC1 ZINC000738437655 574169101 /nfs/dbraw/zinc/16/91/01/574169101.db2.gz SELGGGNOLNLHJA-UHFFFAOYSA-N -1 1 280.335 2.627 20 0 CFADMM Cc1cccn2cc(CNCc3ccc(C(=O)[O-])cc3)nc12 ZINC000738785623 574184244 /nfs/dbraw/zinc/18/42/44/574184244.db2.gz GTTVPFCMRWLCJK-UHFFFAOYSA-N -1 1 295.342 2.631 20 0 CFADMM Cc1cc(C)cc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)c1 ZINC000747229620 574188597 /nfs/dbraw/zinc/18/85/97/574188597.db2.gz SOKVLUXMIPWJQV-UHFFFAOYSA-N -1 1 294.376 2.918 20 0 CFADMM Cc1cc(C)cc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)c1 ZINC000747229620 574188599 /nfs/dbraw/zinc/18/85/99/574188599.db2.gz SOKVLUXMIPWJQV-UHFFFAOYSA-N -1 1 294.376 2.918 20 0 CFADMM CCC1CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC000747365995 574192519 /nfs/dbraw/zinc/19/25/19/574192519.db2.gz CLQUFAQIKJWGOQ-UHFFFAOYSA-N -1 1 291.395 2.876 20 0 CFADMM C[C@@H](c1c(F)cccc1F)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739054139 574194830 /nfs/dbraw/zinc/19/48/30/574194830.db2.gz PFZPTZXEDFJVOK-VHSXEESVSA-N -1 1 284.306 2.615 20 0 CFADMM C[C@H](c1ccc(Cl)cc1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739055317 574195477 /nfs/dbraw/zinc/19/54/77/574195477.db2.gz WNEKYVKIGPTKNC-BXKDBHETSA-N -1 1 268.744 2.743 20 0 CFADMM C[C@H](c1ccccc1Cl)N(C)CCCNC(=O)[O-] ZINC000739055769 574195603 /nfs/dbraw/zinc/19/56/03/574195603.db2.gz BWFBFWMXXQEXRJ-SNVBAGLBSA-N -1 1 270.760 2.991 20 0 CFADMM C[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1NC(=O)[O-] ZINC000739194948 574200396 /nfs/dbraw/zinc/20/03/96/574200396.db2.gz WYDDNGLMHVMTOX-GXFFZTMASA-N -1 1 282.771 2.818 20 0 CFADMM Cc1[nH]nc([N-]S(=O)(=O)C=Cc2ccc(C)cc2)c1C ZINC000747764284 574211200 /nfs/dbraw/zinc/21/12/00/574211200.db2.gz OPRDTOYOBRITAK-CMDGGOBGSA-N -1 1 291.376 2.748 20 0 CFADMM O=C([O-])[C@H](NCc1ccccn1)c1cccc(Cl)c1 ZINC000739503970 574215741 /nfs/dbraw/zinc/21/57/41/574215741.db2.gz FWDDXEINPFSNSG-CYBMUJFWSA-N -1 1 276.723 2.651 20 0 CFADMM Cc1ncsc1CNC(=O)c1c([O-])cccc1Cl ZINC000729538709 574222201 /nfs/dbraw/zinc/22/22/01/574222201.db2.gz YDDCYFOOJZBQSJ-UHFFFAOYSA-N -1 1 282.752 2.741 20 0 CFADMM COc1ccccc1/C=C/CNCc1cc(C(=O)[O-])co1 ZINC000756305887 574223524 /nfs/dbraw/zinc/22/35/24/574223524.db2.gz COKUUYBCHPVKHF-GQCTYLIASA-N -1 1 287.315 2.789 20 0 CFADMM O=C([O-])[C@H](NCc1ccc(Cl)nc1)c1ccccc1F ZINC000756332657 574225488 /nfs/dbraw/zinc/22/54/88/574225488.db2.gz LEKOQUCTGHDTNS-CYBMUJFWSA-N -1 1 294.713 2.790 20 0 CFADMM COCCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000733490903 574241839 /nfs/dbraw/zinc/24/18/39/574241839.db2.gz OGQFGEXISVWZTK-UHFFFAOYSA-N -1 1 279.119 2.892 20 0 CFADMM O=C([O-])N1CCC(C[NH2+]Cc2ccc([O-])c(Cl)c2)CC1 ZINC000740496676 574251118 /nfs/dbraw/zinc/25/11/18/574251118.db2.gz PLFXBXPGYWHUFS-UHFFFAOYSA-N -1 1 298.770 2.525 20 0 CFADMM O=C([O-])N1CCCN(c2ccnc3cc(F)ccc32)CC1 ZINC000740522778 574253747 /nfs/dbraw/zinc/25/37/47/574253747.db2.gz SGUFTLKDBOUBDC-UHFFFAOYSA-N -1 1 289.310 2.564 20 0 CFADMM Cc1cc([N-]C(=O)c2c(F)c(F)cc(F)c2F)no1 ZINC000748515767 574256565 /nfs/dbraw/zinc/25/65/65/574256565.db2.gz RITAATMYDQHUTJ-UHFFFAOYSA-N -1 1 274.173 2.792 20 0 CFADMM C[C@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1nccs1 ZINC000756750995 574260470 /nfs/dbraw/zinc/26/04/70/574260470.db2.gz NAPAPVOCZYKSSO-RXMQYKEDSA-N -1 1 288.241 2.692 20 0 CFADMM CC[C@](C)(CC(=O)OC)NC(=O)c1ccc(Cl)cc1[O-] ZINC000748690187 574263064 /nfs/dbraw/zinc/26/30/64/574263064.db2.gz LWRKAUJWSOUHDY-CQSZACIVSA-N -1 1 299.754 2.507 20 0 CFADMM CCc1cc(CNC(=O)c2c([O-])cccc2Cl)on1 ZINC000741293412 574285892 /nfs/dbraw/zinc/28/58/92/574285892.db2.gz FSDGOPOIGYXOPT-UHFFFAOYSA-N -1 1 280.711 2.526 20 0 CFADMM CC(C)c1nc(C(=O)[N-]c2nc(C3CC3)no2)cs1 ZINC000734879700 574305996 /nfs/dbraw/zinc/30/59/96/574305996.db2.gz SWJVASQBDIENLR-UHFFFAOYSA-N -1 1 278.337 2.779 20 0 CFADMM Cc1cccc2c1C(=O)N[C@H](c1cc(F)c([O-])c(F)c1)N2 ZINC000749935880 574316848 /nfs/dbraw/zinc/31/68/48/574316848.db2.gz VOXKLQGRHFLBRB-CQSZACIVSA-N -1 1 290.269 2.833 20 0 CFADMM CC(C)(CNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000735671096 574332709 /nfs/dbraw/zinc/33/27/09/574332709.db2.gz MMIMYMZUKRYFKV-UHFFFAOYSA-N -1 1 294.362 2.651 20 0 CFADMM CC(C)(CNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000735671096 574332710 /nfs/dbraw/zinc/33/27/10/574332710.db2.gz MMIMYMZUKRYFKV-UHFFFAOYSA-N -1 1 294.362 2.651 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000750540401 574346993 /nfs/dbraw/zinc/34/69/93/574346993.db2.gz ZNKNBNFITGUMFY-GHMZBOCLSA-N -1 1 295.766 2.544 20 0 CFADMM CC1(CNc2snc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC000736216963 574354923 /nfs/dbraw/zinc/35/49/23/574354923.db2.gz OPRIFMXZGLSIMB-UHFFFAOYSA-N -1 1 298.803 2.969 20 0 CFADMM CC1(CNc2snc(Cl)c2-c2nn[n-]n2)CCCC1 ZINC000736216963 574354925 /nfs/dbraw/zinc/35/49/25/574354925.db2.gz OPRIFMXZGLSIMB-UHFFFAOYSA-N -1 1 298.803 2.969 20 0 CFADMM C[C@@H]1CCC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000736259334 574358220 /nfs/dbraw/zinc/35/82/20/574358220.db2.gz DNDLZOCUQBRKFT-RITPCOANSA-N -1 1 284.776 2.577 20 0 CFADMM C[C@@H]1CCC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000736259334 574358221 /nfs/dbraw/zinc/35/82/21/574358221.db2.gz DNDLZOCUQBRKFT-RITPCOANSA-N -1 1 284.776 2.577 20 0 CFADMM Cc1nc(CCC(=O)Nc2c([O-])cccc2F)cs1 ZINC000743415458 574363309 /nfs/dbraw/zinc/36/33/09/574363309.db2.gz BHVDHORYQPBYTH-UHFFFAOYSA-N -1 1 280.324 2.868 20 0 CFADMM CC[C@@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000736351999 574365026 /nfs/dbraw/zinc/36/50/26/574365026.db2.gz UHIAVQUBAOTEDC-LBPRGKRZSA-N -1 1 294.362 2.867 20 0 CFADMM CC[C@@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000736351999 574365027 /nfs/dbraw/zinc/36/50/27/574365027.db2.gz UHIAVQUBAOTEDC-LBPRGKRZSA-N -1 1 294.362 2.867 20 0 CFADMM CCC1CCC(Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000095263641 599413555 /nfs/dbraw/zinc/41/35/55/599413555.db2.gz ZBJBSBDUDXIWJP-UHFFFAOYSA-N -1 1 272.356 2.642 20 0 CFADMM CCC1CCC(Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000095263641 599413559 /nfs/dbraw/zinc/41/35/59/599413559.db2.gz ZBJBSBDUDXIWJP-UHFFFAOYSA-N -1 1 272.356 2.642 20 0 CFADMM C[C@@H]1CN(Cc2csc(C(C)(C)C)n2)C[C@@H]1C(=O)[O-] ZINC000104212889 601540301 /nfs/dbraw/zinc/54/03/01/601540301.db2.gz IQUWYWQJLXEKHT-KOLCDFICSA-N -1 1 282.409 2.593 20 0 CFADMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1cncs1 ZINC000818054071 597244208 /nfs/dbraw/zinc/24/42/08/597244208.db2.gz XAWXSWGDYJYFFO-VIFPVBQESA-N -1 1 262.334 2.692 20 0 CFADMM O=C([O-])C1CCN(Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000167842679 597731664 /nfs/dbraw/zinc/73/16/64/597731664.db2.gz WHLOVDGSAZRQIP-UHFFFAOYSA-N -1 1 295.766 2.572 20 0 CFADMM O=C([O-])CCCCN1CCCC[C@@H]1c1nccs1 ZINC000262235137 597773457 /nfs/dbraw/zinc/77/34/57/597773457.db2.gz MYTJUSAUKSDUAN-LLVKDONJSA-N -1 1 268.382 2.925 20 0 CFADMM CCCCn1nc(C)c(CN2CC[C@H](C(=O)[O-])C2)c1Cl ZINC000820317293 598129318 /nfs/dbraw/zinc/12/93/18/598129318.db2.gz XEUWMVPGOQDMMU-NSHDSACASA-N -1 1 299.802 2.552 20 0 CFADMM O=C([O-])C[C@@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000821516097 598195786 /nfs/dbraw/zinc/19/57/86/598195786.db2.gz RJTWHNPQJDKCTL-NSHDSACASA-N -1 1 294.420 2.709 20 0 CFADMM O=C([O-])[C@@H](NCc1ccc(Cl)cn1)c1ccccc1 ZINC000703877623 598205489 /nfs/dbraw/zinc/20/54/89/598205489.db2.gz FRVXJASYVKVPAJ-ZDUSSCGKSA-N -1 1 276.723 2.651 20 0 CFADMM C[C@@H](CC(=O)[O-])N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000820072353 598217368 /nfs/dbraw/zinc/21/73/68/598217368.db2.gz PVPRHDUHBGSHPZ-MEDUHNTESA-N -1 1 288.322 2.763 20 0 CFADMM c1ccc2c(c1)CCC[C@@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000095169521 599392578 /nfs/dbraw/zinc/39/25/78/599392578.db2.gz ODWYRTYTXBJXIT-ZDUSSCGKSA-N -1 1 292.346 2.751 20 0 CFADMM c1ccc2c(c1)CCC[C@@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000095169521 599392582 /nfs/dbraw/zinc/39/25/82/599392582.db2.gz ODWYRTYTXBJXIT-ZDUSSCGKSA-N -1 1 292.346 2.751 20 0 CFADMM Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1C ZINC000822255115 599410670 /nfs/dbraw/zinc/41/06/70/599410670.db2.gz WAIQKVSKHOYCAF-UHFFFAOYSA-N -1 1 269.308 2.689 20 0 CFADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1C ZINC000822255115 599410673 /nfs/dbraw/zinc/41/06/73/599410673.db2.gz WAIQKVSKHOYCAF-UHFFFAOYSA-N -1 1 269.308 2.689 20 0 CFADMM Cc1nc2cc(NCc3ccc(-c4nnn[n-]4)o3)ccc2o1 ZINC000822459184 599411059 /nfs/dbraw/zinc/41/10/59/599411059.db2.gz OLKFICABCMOPMB-UHFFFAOYSA-N -1 1 296.290 2.521 20 0 CFADMM Cc1nc2cc(NCc3ccc(-c4nn[n-]n4)o3)ccc2o1 ZINC000822459184 599411060 /nfs/dbraw/zinc/41/10/60/599411060.db2.gz OLKFICABCMOPMB-UHFFFAOYSA-N -1 1 296.290 2.521 20 0 CFADMM O=C([O-])CCCN1CCCC[C@@H]1c1nccs1 ZINC000262239467 600227829 /nfs/dbraw/zinc/22/78/29/600227829.db2.gz NSKUNSKGUZEULP-SNVBAGLBSA-N -1 1 254.355 2.535 20 0 CFADMM Fc1ccc(F)c(Sc2cccc(-c3nn[n-]n3)n2)c1 ZINC000095163598 607895273 /nfs/dbraw/zinc/89/52/73/607895273.db2.gz CRUMMXLQVVJFPN-UHFFFAOYSA-N -1 1 291.286 2.691 20 0 CFADMM CCc1ccc(CNCc2ccc(C(=O)[O-])o2)cc1 ZINC000234195051 600524613 /nfs/dbraw/zinc/52/46/13/600524613.db2.gz PHEMRFSMEMZYPF-UHFFFAOYSA-N -1 1 259.305 2.830 20 0 CFADMM CCCN(CC1CC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821095134 607466369 /nfs/dbraw/zinc/46/63/69/607466369.db2.gz YLFKODDZZZRWBI-UHFFFAOYSA-N -1 1 292.774 2.542 20 0 CFADMM CCCN(CC1CC1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821095134 607466371 /nfs/dbraw/zinc/46/63/71/607466371.db2.gz YLFKODDZZZRWBI-UHFFFAOYSA-N -1 1 292.774 2.542 20 0 CFADMM CN(Cc1cc(C(=O)[O-])co1)[C@@H](CCO)c1ccccc1 ZINC000830806614 600840668 /nfs/dbraw/zinc/84/06/68/600840668.db2.gz SEIWLQWAFQQFAO-HNNXBMFYSA-N -1 1 289.331 2.533 20 0 CFADMM C/C(=C\CN[C@H](c1ccccc1)c1ccccn1)C(=O)[O-] ZINC000825747187 601154842 /nfs/dbraw/zinc/15/48/42/601154842.db2.gz QKOLCEDKDOCAKC-QSOAKEGCSA-N -1 1 282.343 2.792 20 0 CFADMM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)Nc1nc(Cl)ccc1[O-] ZINC000935598226 649920827 /nfs/dbraw/zinc/92/08/27/649920827.db2.gz MGZZHOQLKYFWPE-ONGXEEELSA-N -1 1 296.754 2.727 20 0 CFADMM C[C@H](c1ncc(C(C)(C)C)o1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828425339 601515412 /nfs/dbraw/zinc/51/54/12/601515412.db2.gz YZKGLFRGKJKOSU-MXWKQRLJSA-N -1 1 280.368 2.686 20 0 CFADMM C[C@H]1CN(Cc2ncc(-c3cccs3)o2)C[C@H]1C(=O)[O-] ZINC000828464829 601520222 /nfs/dbraw/zinc/52/02/22/601520222.db2.gz VMPUDPAGXKIOJG-VHSXEESVSA-N -1 1 292.360 2.556 20 0 CFADMM CC(C)CCc1nc(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)cs1 ZINC000263301387 601520718 /nfs/dbraw/zinc/52/07/18/601520718.db2.gz GQCRADDRNWOKIP-DGCLKSJQSA-N -1 1 296.436 2.884 20 0 CFADMM CC(C)CCc1nc(CN2C[C@H](C)[C@H](C(=O)[O-])C2)cs1 ZINC000826860769 601521348 /nfs/dbraw/zinc/52/13/48/601521348.db2.gz GQCRADDRNWOKIP-WCQYABFASA-N -1 1 296.436 2.884 20 0 CFADMM CN(Cc1ccsc1C(=O)[O-])[C@@H](CO)c1ccccc1 ZINC000830865714 601548390 /nfs/dbraw/zinc/54/83/90/601548390.db2.gz UNKWHRXCPMEXJV-ZDUSSCGKSA-N -1 1 291.372 2.612 20 0 CFADMM CC[C@](C)(CC(=O)[O-])NCc1nc(-c2ccsc2)no1 ZINC000828672318 601556157 /nfs/dbraw/zinc/55/61/57/601556157.db2.gz PXJDKRBMRHEPMT-CYBMUJFWSA-N -1 1 295.364 2.531 20 0 CFADMM O=C([O-])CC1CCN(Cc2nc3cc(F)ccc3o2)CC1 ZINC000833215173 601621608 /nfs/dbraw/zinc/62/16/08/601621608.db2.gz YNDMNEMUNLEHSX-UHFFFAOYSA-N -1 1 292.310 2.654 20 0 CFADMM CCC(CC)CN(CC)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900201375 620652196 /nfs/dbraw/zinc/65/21/96/620652196.db2.gz YXHWLNYNXDQZPW-UHFFFAOYSA-N -1 1 291.395 2.958 20 0 CFADMM COc1ccc(SCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826211761 607542623 /nfs/dbraw/zinc/54/26/23/607542623.db2.gz SURYOVCJQQXVCA-UHFFFAOYSA-N -1 1 299.359 2.563 20 0 CFADMM COc1ccc(SCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826211761 607542624 /nfs/dbraw/zinc/54/26/24/607542624.db2.gz SURYOVCJQQXVCA-UHFFFAOYSA-N -1 1 299.359 2.563 20 0 CFADMM C/C(=C\CN1CCC[C@H]1CC(=O)c1cccs1)C(=O)[O-] ZINC000825741418 602237447 /nfs/dbraw/zinc/23/74/47/602237447.db2.gz MVJMMVORBFFEQD-BCMYLCSRSA-N -1 1 293.388 2.816 20 0 CFADMM C[C@@H]1CN(c2ccnc3cc(F)ccc32)CCN1C(=O)[O-] ZINC000826082710 603195898 /nfs/dbraw/zinc/19/58/98/603195898.db2.gz UMQQICMHNBUIHY-SNVBAGLBSA-N -1 1 289.310 2.562 20 0 CFADMM O=C([O-])Nc1ccc(CNCc2ccc(F)cc2)cn1 ZINC000832842143 603531061 /nfs/dbraw/zinc/53/10/61/603531061.db2.gz OMSRNLUBRFJYBE-UHFFFAOYSA-N -1 1 275.283 2.600 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccncc2Cl)C1 ZINC000825273668 604210280 /nfs/dbraw/zinc/21/02/80/604210280.db2.gz QDURFIDZTPVLSA-GHMZBOCLSA-N -1 1 297.786 2.603 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000825265088 604216860 /nfs/dbraw/zinc/21/68/60/604216860.db2.gz QCMYPEGQDVMVGY-MNOVXSKESA-N -1 1 298.333 2.833 20 0 CFADMM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1c(F)cccc1F ZINC000825480083 604328883 /nfs/dbraw/zinc/32/88/83/604328883.db2.gz SOYUVZPZRFCUMJ-UWVGGRQHSA-N -1 1 284.306 2.758 20 0 CFADMM COc1cccc([C@@H](C)NCc2ccc(C(=O)[O-])o2)c1 ZINC000071396038 604329801 /nfs/dbraw/zinc/32/98/01/604329801.db2.gz NYIRQGHHCHHEJJ-SNVBAGLBSA-N -1 1 275.304 2.837 20 0 CFADMM C[C@H](NC(=O)[O-])c1ccc(CNCc2ccoc2)cc1 ZINC000825402974 604413287 /nfs/dbraw/zinc/41/32/87/604413287.db2.gz RRIBHVBTRHMSMR-NSHDSACASA-N -1 1 274.320 2.898 20 0 CFADMM O=C([O-])c1cc(CN2CC[C@H]2c2ccccc2)c[nH]1 ZINC000833296592 604476809 /nfs/dbraw/zinc/47/68/09/604476809.db2.gz KGMJYQFEKFOGSM-AWEZNQCLSA-N -1 1 256.305 2.660 20 0 CFADMM CN(Cc1cc2cc(F)ccc2o1)C(C)(C)C(=O)[O-] ZINC000833694014 604627616 /nfs/dbraw/zinc/62/76/16/604627616.db2.gz FQEZFFQCHFONFY-UHFFFAOYSA-N -1 1 265.284 2.867 20 0 CFADMM COc1ccc2oc(CN(C)C(C)(C)C(=O)[O-])cc2c1 ZINC000833734863 604628519 /nfs/dbraw/zinc/62/85/19/604628519.db2.gz HRVCEMGHGGUGAB-UHFFFAOYSA-N -1 1 277.320 2.736 20 0 CFADMM CC1=C(C(=O)[O-])C[C@H](CN(C)[C@@H](C)c2ccccc2F)O1 ZINC000833578771 604824907 /nfs/dbraw/zinc/82/49/07/604824907.db2.gz WTNJHJDSEOPEBM-CMPLNLGQSA-N -1 1 293.338 2.966 20 0 CFADMM CC(C)C[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000824228780 607731209 /nfs/dbraw/zinc/73/12/09/607731209.db2.gz KUJREECIBAMGPP-LURJTMIESA-N -1 1 286.792 2.823 20 0 CFADMM CC(C)C[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000824228780 607731211 /nfs/dbraw/zinc/73/12/11/607731211.db2.gz KUJREECIBAMGPP-LURJTMIESA-N -1 1 286.792 2.823 20 0 CFADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](C(F)(F)F)C1 ZINC000388284184 605054288 /nfs/dbraw/zinc/05/42/88/605054288.db2.gz SEMNFBSVHCISHF-YUMQZZPRSA-N -1 1 277.242 2.923 20 0 CFADMM C/C(=C\CN[C@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000833385731 605066328 /nfs/dbraw/zinc/06/63/28/605066328.db2.gz XJBAJGDRLNAAIY-BNICOGTQSA-N -1 1 255.264 2.646 20 0 CFADMM CC(C)C[C@@H]1COCCN1Cc1ccccc1CC(=O)[O-] ZINC000833484590 605069467 /nfs/dbraw/zinc/06/94/67/605069467.db2.gz XDQOFHDFTFROEU-MRXNPFEDSA-N -1 1 291.391 2.561 20 0 CFADMM C/C(=C\CN1CC[C@H](Oc2ccccc2Cl)C1)C(=O)[O-] ZINC000833383001 605087256 /nfs/dbraw/zinc/08/72/56/605087256.db2.gz MGAQRORGGANIHX-BCMYLCSRSA-N -1 1 295.766 2.824 20 0 CFADMM COc1ccc(C2(NCc3ccoc3C(=O)[O-])CC2)cc1 ZINC000833732530 605138482 /nfs/dbraw/zinc/13/84/82/605138482.db2.gz NKJGUCKPXHEBAV-UHFFFAOYSA-N -1 1 287.315 2.765 20 0 CFADMM CC(C)(C)C[C@@H](OC(=O)c1cccc2[nH]ncc21)C(=O)[O-] ZINC000833430725 605231560 /nfs/dbraw/zinc/23/15/60/605231560.db2.gz YWVKJHWKSYJCEO-GFCCVEGCSA-N -1 1 290.319 2.609 20 0 CFADMM CC1=C(C(=O)[O-])C[C@@H](CN2CC[C@H]2c2cccc(F)c2)O1 ZINC000833583033 605352208 /nfs/dbraw/zinc/35/22/08/605352208.db2.gz FSIGWKAYLSEERJ-ZFWWWQNUSA-N -1 1 291.322 2.720 20 0 CFADMM Cc1nc([C@H](C)N[C@@H](CNC(=O)[O-])CC(C)C)cs1 ZINC000830708763 605479054 /nfs/dbraw/zinc/47/90/54/605479054.db2.gz CSKDZCJTJOEMLK-GXSJLCMTSA-N -1 1 285.413 2.784 20 0 CFADMM Cc1nc([C@@H](C)NCC[C@@H]2CCCN(C(=O)[O-])C2)cs1 ZINC000830709279 605479435 /nfs/dbraw/zinc/47/94/35/605479435.db2.gz HYOPVIGAASRMLR-PWSUYJOCSA-N -1 1 297.424 2.882 20 0 CFADMM Cc1nc([C@H](C)NCCCN(C(=O)[O-])C(C)C)cs1 ZINC000830709579 605480757 /nfs/dbraw/zinc/48/07/57/605480757.db2.gz MNQSTUQCRLQPOM-JTQLQIEISA-N -1 1 285.413 2.881 20 0 CFADMM O=C([O-])NC1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000834189152 605483761 /nfs/dbraw/zinc/48/37/61/605483761.db2.gz HXNKHDLBPYTQHN-OWOJBTEDSA-N -1 1 278.327 2.571 20 0 CFADMM C[C@H]1CCN(Cc2ccccc2C(=O)[O-])C[C@H]1F ZINC000833616687 605491575 /nfs/dbraw/zinc/49/15/75/605491575.db2.gz ZVMWMDBXIHOVPN-GXFFZTMASA-N -1 1 251.301 2.565 20 0 CFADMM CCc1ncc(CN2CCCC[C@H]2[C@@H](C)NC(=O)[O-])s1 ZINC000833866234 605509492 /nfs/dbraw/zinc/50/94/92/605509492.db2.gz JQGXSIMOKODRDA-PWSUYJOCSA-N -1 1 297.424 2.716 20 0 CFADMM O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1Cc1cncs1 ZINC000834107273 605558052 /nfs/dbraw/zinc/55/80/52/605558052.db2.gz LZXKXNXQYZFAPK-CHWSQXEVSA-N -1 1 295.408 2.640 20 0 CFADMM O=C([O-])Nc1cccc(CN2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000834269099 605788484 /nfs/dbraw/zinc/78/84/84/605788484.db2.gz OTZNMSXJRHDDNE-HUUCEWRRSA-N -1 1 290.363 2.920 20 0 CFADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c(F)c1 ZINC000834096443 605967227 /nfs/dbraw/zinc/96/72/27/605967227.db2.gz YVMVRXCEZQAASZ-NEPJUHHUSA-N -1 1 296.317 2.682 20 0 CFADMM O=C([O-])N1CC[C@H](N[C@H](c2ccccc2)c2ccccn2)C1 ZINC000834082221 605998536 /nfs/dbraw/zinc/99/85/36/605998536.db2.gz GQSQUGCWXRXBBL-GOEBONIOSA-N -1 1 297.358 2.513 20 0 CFADMM CC(C)C[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820057393 606177223 /nfs/dbraw/zinc/17/72/23/606177223.db2.gz ZOUAGBQMRGENJN-QMMMGPOBSA-N -1 1 280.353 2.520 20 0 CFADMM CC(C)C[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820057393 606177225 /nfs/dbraw/zinc/17/72/25/606177225.db2.gz ZOUAGBQMRGENJN-QMMMGPOBSA-N -1 1 280.353 2.520 20 0 CFADMM Cc1cc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)ccc1F ZINC000822191891 606430925 /nfs/dbraw/zinc/43/09/25/606430925.db2.gz TXUYLBFJLBQKSK-JTQLQIEISA-N -1 1 298.325 2.882 20 0 CFADMM Cc1cc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)ccc1F ZINC000822191891 606430927 /nfs/dbraw/zinc/43/09/27/606430927.db2.gz TXUYLBFJLBQKSK-JTQLQIEISA-N -1 1 298.325 2.882 20 0 CFADMM CC(=O)c1ccc(Oc2ncccc2-c2nn[n-]n2)c(C)c1 ZINC000819835649 606431334 /nfs/dbraw/zinc/43/13/34/606431334.db2.gz XVLOPRLQBIXRFG-UHFFFAOYSA-N -1 1 295.302 2.565 20 0 CFADMM CCC(CC)(CC)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820887865 606572641 /nfs/dbraw/zinc/57/26/41/606572641.db2.gz VKZOCRSXWLDUPA-UHFFFAOYSA-N -1 1 293.396 2.627 20 0 CFADMM CCC(CC)(CC)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820887865 606572643 /nfs/dbraw/zinc/57/26/43/606572643.db2.gz VKZOCRSXWLDUPA-UHFFFAOYSA-N -1 1 293.396 2.627 20 0 CFADMM CC[C@@]1(C)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000820957000 606949087 /nfs/dbraw/zinc/94/90/87/606949087.db2.gz LUGQYWHUIHTJJF-NSHDSACASA-N -1 1 298.803 2.603 20 0 CFADMM CC[C@@]1(C)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000820957000 606949089 /nfs/dbraw/zinc/94/90/89/606949089.db2.gz LUGQYWHUIHTJJF-NSHDSACASA-N -1 1 298.803 2.603 20 0 CFADMM Fc1ccc(F)c(Sc2cccc(-c3nnn[n-]3)n2)c1 ZINC000095163598 607895272 /nfs/dbraw/zinc/89/52/72/607895272.db2.gz CRUMMXLQVVJFPN-UHFFFAOYSA-N -1 1 291.286 2.691 20 0 CFADMM COc1cccc(CSc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826216565 607898296 /nfs/dbraw/zinc/89/82/96/607898296.db2.gz FGCSHBMGWKFBID-UHFFFAOYSA-N -1 1 299.359 2.563 20 0 CFADMM COc1cccc(CSc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826216565 607898297 /nfs/dbraw/zinc/89/82/97/607898297.db2.gz FGCSHBMGWKFBID-UHFFFAOYSA-N -1 1 299.359 2.563 20 0 CFADMM C[C@H]1Cc2ccccc2[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000825011977 607899039 /nfs/dbraw/zinc/89/90/39/607899039.db2.gz BMSOPJOKDJNOGF-ZUZCIYMTSA-N -1 1 292.346 2.607 20 0 CFADMM C[C@H]1Cc2ccccc2[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000825011977 607899040 /nfs/dbraw/zinc/89/90/40/607899040.db2.gz BMSOPJOKDJNOGF-ZUZCIYMTSA-N -1 1 292.346 2.607 20 0 CFADMM COCc1ccc(Sc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826164648 607901158 /nfs/dbraw/zinc/90/11/58/607901158.db2.gz JUYCJDSNZUBLBT-UHFFFAOYSA-N -1 1 299.359 2.559 20 0 CFADMM COCc1ccc(Sc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826164648 607901159 /nfs/dbraw/zinc/90/11/59/607901159.db2.gz JUYCJDSNZUBLBT-UHFFFAOYSA-N -1 1 299.359 2.559 20 0 CFADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C1CCC1 ZINC000824654947 607903696 /nfs/dbraw/zinc/90/36/96/607903696.db2.gz ANASFFLEHWJLOI-ZETCQYMHSA-N -1 1 278.747 2.516 20 0 CFADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C1CCC1 ZINC000824654947 607903697 /nfs/dbraw/zinc/90/36/97/607903697.db2.gz ANASFFLEHWJLOI-ZETCQYMHSA-N -1 1 278.747 2.516 20 0 CFADMM C[C@H]1CC[C@H](C)N1c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000824907591 608123790 /nfs/dbraw/zinc/12/37/90/608123790.db2.gz JHWGZPFOSYCAOW-QWRGUYRKSA-N -1 1 294.362 2.792 20 0 CFADMM C[C@H]1CC[C@H](C)N1c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000824907591 608123791 /nfs/dbraw/zinc/12/37/91/608123791.db2.gz JHWGZPFOSYCAOW-QWRGUYRKSA-N -1 1 294.362 2.792 20 0 CFADMM CC(C)C[C@@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000824228829 608179303 /nfs/dbraw/zinc/17/93/03/608179303.db2.gz MENNDLYSMCNBSH-MRVPVSSYSA-N -1 1 280.353 2.520 20 0 CFADMM CC[C@@H]1C[C@@H](C)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000825184756 608187563 /nfs/dbraw/zinc/18/75/63/608187563.db2.gz ZAENHSUGOZLKNK-RNFRBKRXSA-N -1 1 298.803 2.601 20 0 CFADMM CC[C@@H]1C[C@@H](C)CN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000825184756 608187565 /nfs/dbraw/zinc/18/75/65/608187565.db2.gz ZAENHSUGOZLKNK-RNFRBKRXSA-N -1 1 298.803 2.601 20 0 CFADMM COCc1nc(NCCSc2ccccc2)cc(=O)[n-]1 ZINC000891577297 617673884 /nfs/dbraw/zinc/67/38/84/617673884.db2.gz BGTSGAGOJAULMD-UHFFFAOYSA-N -1 1 291.376 2.533 20 0 CFADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900826715 620718076 /nfs/dbraw/zinc/71/80/76/620718076.db2.gz CFPNPSSLEUEZPN-GHMZBOCLSA-N -1 1 289.379 2.710 20 0 CFADMM C[C@@H]1CN(C(=O)c2c([O-])cnc3c(F)cccc32)C[C@H]1C ZINC000900894502 620726239 /nfs/dbraw/zinc/72/62/39/620726239.db2.gz IOYUNHPXMIMLBU-NXEZZACHSA-N -1 1 288.322 2.808 20 0 CFADMM CC[C@@H](Nc1cc(=O)[n-]c(COC)n1)c1ccccc1 ZINC000892100000 617949154 /nfs/dbraw/zinc/94/91/54/617949154.db2.gz AFCLUMWIUIXBNJ-GFCCVEGCSA-N -1 1 273.336 2.892 20 0 CFADMM C[C@H]1CCC[C@@H](N(C)c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858343910 617612829 /nfs/dbraw/zinc/61/28/29/617612829.db2.gz GQDNUEXCOTWKQK-DTWKUNHWSA-N -1 1 255.749 2.851 20 0 CFADMM COCc1nc(NC[C@H](C)c2ccccc2)cc(=O)[n-]1 ZINC000891509974 617643074 /nfs/dbraw/zinc/64/30/74/617643074.db2.gz BDCPKVVSBPUBGB-NSHDSACASA-N -1 1 273.336 2.544 20 0 CFADMM C[C@]1(C2CC2)COCCN1C(=O)c1c([O-])cccc1Cl ZINC000890589225 617680591 /nfs/dbraw/zinc/68/05/91/617680591.db2.gz SONMNHUKLCGYQE-OAHLLOKOSA-N -1 1 295.766 2.687 20 0 CFADMM CC[C@H]1c2ccccc2CN1C(=O)c1ncccc1[O-] ZINC000890611693 617699911 /nfs/dbraw/zinc/69/99/11/617699911.db2.gz DGDRXFVXJGVHAR-ZDUSSCGKSA-N -1 1 268.316 2.894 20 0 CFADMM Cc1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1F ZINC000175825491 617985311 /nfs/dbraw/zinc/98/53/11/617985311.db2.gz PKRWQONHULBHBO-UHFFFAOYSA-N -1 1 267.197 2.651 20 0 CFADMM Cc1[n-]n(-c2ccc(Br)cn2)c(=O)c1C(C)C ZINC000115007400 618071706 /nfs/dbraw/zinc/07/17/06/618071706.db2.gz DCCBNAISWKSFMC-LLVKDONJSA-N -1 1 296.168 2.839 20 0 CFADMM C/C=C\COC(=O)c1ccccc1[N-]S(=O)(=O)CCC ZINC000052172261 618138798 /nfs/dbraw/zinc/13/87/98/618138798.db2.gz OZIPQZGZSJQIOJ-HYXAFXHYSA-N -1 1 297.376 2.571 20 0 CFADMM CC(=CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000050603374 618141066 /nfs/dbraw/zinc/14/10/66/618141066.db2.gz HVWGSKJGCDYQEY-FPLPWBNLSA-N -1 1 296.252 2.866 20 0 CFADMM CCC[C@@H](C)CC(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067080003 618324704 /nfs/dbraw/zinc/32/47/04/618324704.db2.gz BTLRUVPBNPADGF-SNVBAGLBSA-N -1 1 296.440 2.761 20 0 CFADMM CCCCCC(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079022 618325054 /nfs/dbraw/zinc/32/50/54/618325054.db2.gz BIGSDVPBAFJXOF-UHFFFAOYSA-N -1 1 282.413 2.515 20 0 CFADMM COc1ccc(C(=O)Nc2nc(C3CC3)c(C)o2)c([O-])c1 ZINC000892504073 618407658 /nfs/dbraw/zinc/40/76/58/618407658.db2.gz GINCSRTYVATTSK-UHFFFAOYSA-N -1 1 288.303 2.827 20 0 CFADMM COCc1nc(N2C[C@@H]3CC[C@H]2c2ccccc23)cc(=O)[n-]1 ZINC000895168828 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O=C([N-]Oc1ccc(F)cc1)[C@H]1CCOC2(CCCC2)C1 ZINC000912256664 622666637 /nfs/dbraw/zinc/66/66/37/622666637.db2.gz CHDHDVKPHKTFQR-LBPRGKRZSA-N -1 1 293.338 2.975 20 0 CFADMM CSc1nc(CNC(=O)C(C)=CC(C)(C)C)cc(=O)[n-]1 ZINC000912249330 622672764 /nfs/dbraw/zinc/67/27/64/622672764.db2.gz OYDODTOVIRDLKJ-CLFYSBASSA-N -1 1 295.408 2.513 20 0 CFADMM O=C(c1ncccc1[O-])N1CC=CC12CCCCC2 ZINC000912473884 622723472 /nfs/dbraw/zinc/72/34/72/622723472.db2.gz LFLUDDDOXABMDN-UHFFFAOYSA-N -1 1 258.321 2.502 20 0 CFADMM C[C@@H](CC(=O)Nc1nc(Cl)ccc1[O-])[C@H]1CCCO1 ZINC000834298055 625593688 /nfs/dbraw/zinc/59/36/88/625593688.db2.gz JDDDGZNXXLTIFQ-WCBMZHEXSA-N -1 1 284.743 2.584 20 0 CFADMM CC(C)=C[C@@H]1[C@H](C(=O)[N-]O[C@@H]2CCCCO2)C1(C)C ZINC000072058651 625597360 /nfs/dbraw/zinc/59/73/60/625597360.db2.gz JJMUOHWMIHBSRU-JHJVBQTASA-N -1 1 267.369 2.799 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H]1C(F)(F)F ZINC000913019489 622826257 /nfs/dbraw/zinc/82/62/57/622826257.db2.gz CLNFWAORBKTCDA-JTQLQIEISA-N -1 1 277.217 2.698 20 0 CFADMM CCCC1(CNc2cccc(-c3nnn[n-]3)n2)CCC1 ZINC000821034790 622826515 /nfs/dbraw/zinc/82/65/15/622826515.db2.gz TZMATGJRIWJIGP-UHFFFAOYSA-N -1 1 272.356 2.644 20 0 CFADMM CCCC1(CNc2cccc(-c3nn[n-]n3)n2)CCC1 ZINC000821034790 622826518 /nfs/dbraw/zinc/82/65/18/622826518.db2.gz TZMATGJRIWJIGP-UHFFFAOYSA-N -1 1 272.356 2.644 20 0 CFADMM O=C(Nc1nc(Br)ccc1[O-])[C@@H]1CC=CCC1 ZINC000156339223 622933979 /nfs/dbraw/zinc/93/39/79/622933979.db2.gz FFYIWSJUJYGNFT-MRVPVSSYSA-N -1 1 297.152 2.845 20 0 CFADMM Cc1cc(CN(C)C(=O)c2c([O-])cccc2Cl)no1 ZINC000057308189 622998424 /nfs/dbraw/zinc/99/84/24/622998424.db2.gz MDVZBOCTFVEEEA-UHFFFAOYSA-N -1 1 280.711 2.614 20 0 CFADMM CCc1ccc(CNCc2ccc(C(=O)[O-])cn2)s1 ZINC000224696329 623010181 /nfs/dbraw/zinc/01/01/81/623010181.db2.gz FGIFGHFQBGNUCQ-UHFFFAOYSA-N -1 1 276.361 2.694 20 0 CFADMM O=C(C[C@H]1CC[C@H](C2CC2)O1)Nc1cc([O-])c(F)cc1F ZINC000822543203 623123619 /nfs/dbraw/zinc/12/36/19/623123619.db2.gz PVTBVCLVWDRRNH-YMTOWFKASA-N -1 1 297.301 2.957 20 0 CFADMM C[C@H]1CCN[C@H](c2nc(-c3ccc(C(=O)[O-])s3)no2)C1 ZINC000822635348 623139956 /nfs/dbraw/zinc/13/99/56/623139956.db2.gz WZDBTTGOZUAKEV-YUMQZZPRSA-N -1 1 293.348 2.557 20 0 CFADMM CC[C@H](CC(F)(F)F)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000822925085 623204330 /nfs/dbraw/zinc/20/43/30/623204330.db2.gz XDUABBCTRWIJJE-RKDXNWHRSA-N -1 1 269.263 2.539 20 0 CFADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N[C@H]3CC34CC4)c2)o1 ZINC000823226541 623268858 /nfs/dbraw/zinc/26/88/58/623268858.db2.gz NTMMINAXFJJOFE-HNNXBMFYSA-N -1 1 297.310 2.747 20 0 CFADMM CC(C)[C@H]1C[C@@H](C(=O)[N-]Oc2ccc(F)cc2)CCO1 ZINC000824623684 623534421 /nfs/dbraw/zinc/53/44/21/623534421.db2.gz WFGSRIQMOWWURO-SMDDNHRTSA-N -1 1 281.327 2.687 20 0 CFADMM CC1(C(=O)Nc2cccc(F)c2[O-])CC(F)(F)C1 ZINC000824990524 623601859 /nfs/dbraw/zinc/60/18/59/623601859.db2.gz SBFFXTHRCWGIBB-UHFFFAOYSA-N -1 1 259.227 2.905 20 0 CFADMM CCCCC[C@@H](O)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000827506496 624019372 /nfs/dbraw/zinc/01/93/72/624019372.db2.gz TXKLFBKZDHWPPR-GFCCVEGCSA-N -1 1 271.744 2.925 20 0 CFADMM CC1(C)C[C@H](O)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000827725561 624077503 /nfs/dbraw/zinc/07/75/03/624077503.db2.gz APGWNMZHVQCORU-AWEZNQCLSA-N -1 1 299.370 2.778 20 0 CFADMM CC(F)(F)CCCS(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000915679420 624093862 /nfs/dbraw/zinc/09/38/62/624093862.db2.gz XMDGIERUHASFPQ-MRVPVSSYSA-N -1 1 291.310 2.529 20 0 CFADMM CC(Cl)(Cl)C(=O)[N-]Cc1ncc(Cl)s1 ZINC000834554222 625702819 /nfs/dbraw/zinc/70/28/19/625702819.db2.gz ILHFEDHJZJNRME-UHFFFAOYSA-N -1 1 273.572 2.607 20 0 CFADMM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000828374127 624235354 /nfs/dbraw/zinc/23/53/54/624235354.db2.gz OPVGKPLUXOIGLS-MWLCHTKSSA-N -1 1 297.401 2.605 20 0 CFADMM COC(=O)c1c[n-]c(SCCOC2CCCCC2)n1 ZINC000917496199 624348815 /nfs/dbraw/zinc/34/88/15/624348815.db2.gz LTBYCPROGPWVNH-UHFFFAOYSA-N -1 1 284.381 2.638 20 0 CFADMM C[C@H](CSCc1cnn(C)c1)C(=O)c1ccc([O-])cc1 ZINC000917936043 624397003 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/nfs/dbraw/zinc/02/26/02/625022602.db2.gz VQNAUZJSOYJTBN-UHFFFAOYSA-N -1 1 289.379 2.700 20 0 CFADMM O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc([O-])cc1F ZINC000181163809 625073217 /nfs/dbraw/zinc/07/32/17/625073217.db2.gz QDDWDXPNJPLAIY-UHFFFAOYSA-N -1 1 299.257 2.890 20 0 CFADMM O=C(N[C@H]1CC[C@H](O)CC1)c1cc2ccccc2cc1[O-] ZINC000252788699 625208893 /nfs/dbraw/zinc/20/88/93/625208893.db2.gz QQWXCYCIONOHKP-HDJSIYSDSA-N -1 1 285.343 2.579 20 0 CFADMM CCC(C)(C)CC(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000073083864 625770120 /nfs/dbraw/zinc/77/01/20/625770120.db2.gz YWMSLQORAVSXTC-UHFFFAOYSA-N -1 1 296.440 2.761 20 0 CFADMM Cc1nc(S(=O)(=O)[N-]C(C)(C)/C=C\Cl)sc1C ZINC000921504996 625787421 /nfs/dbraw/zinc/78/74/21/625787421.db2.gz SSAMICCPKCCWGV-WAYWQWQTSA-N -1 1 294.829 2.569 20 0 CFADMM COC[C@H](C)[C@H](C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834821760 625878827 /nfs/dbraw/zinc/87/88/27/625878827.db2.gz FZXXOCRFVOZIQU-UWVGGRQHSA-N -1 1 285.771 2.580 20 0 CFADMM O=C(NCc1ccc([O-])c(Cl)c1)c1conc1C1CC1 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291.322 2.679 20 0 CFADMM C[C@@H](OC(=O)c1cn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000805604469 628295827 /nfs/dbraw/zinc/29/58/27/628295827.db2.gz KGZXJNAAJMKGLD-SSDOTTSWSA-N -1 1 285.225 2.742 20 0 CFADMM C/C=C/C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000778447311 628307862 /nfs/dbraw/zinc/30/78/62/628307862.db2.gz OWHVLFKAFISQJD-ONEGZZNKSA-N -1 1 270.126 2.978 20 0 CFADMM O=C([N-]Cc1ccccc1N1CCCCC1)C(F)(F)F ZINC000778460831 628308703 /nfs/dbraw/zinc/30/87/03/628308703.db2.gz SERSRJBLNTWXGD-UHFFFAOYSA-N -1 1 286.297 2.855 20 0 CFADMM CC(=O)OCC(C)(C)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000780991488 628511690 /nfs/dbraw/zinc/51/16/90/628511690.db2.gz JIHYUACFQVJXJP-UHFFFAOYSA-N -1 1 299.754 2.964 20 0 CFADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@@H](C)[C@@H](C)O1 ZINC000783812245 628747475 /nfs/dbraw/zinc/74/74/75/628747475.db2.gz FXDAPUSEQLFKLW-KXUCPTDWSA-N -1 1 283.755 2.684 20 0 CFADMM C[C@H]1C[C@H](COC(=O)c2ccc([O-])cc2F)CCO1 ZINC000784519449 628823977 /nfs/dbraw/zinc/82/39/77/628823977.db2.gz 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780316152 /nfs/dbraw/zinc/31/61/52/780316152.db2.gz IGZOVDDBHMMGAI-UHFFFAOYSA-N -1 1 267.691 2.930 20 0 CFADMM CC1(c2ccnc(-c3cc(F)ccc3[O-])c2)OCCO1 ZINC001240693532 780364635 /nfs/dbraw/zinc/36/46/35/780364635.db2.gz FDPZPWVTTVKIDZ-UHFFFAOYSA-N -1 1 275.279 2.813 20 0 CFADMM COC(=O)c1nc(-c2cc(F)ccc2[O-])ccc1C ZINC001240693810 780365020 /nfs/dbraw/zinc/36/50/20/780365020.db2.gz ZJPAZOGFGXWZAD-UHFFFAOYSA-N -1 1 261.252 2.688 20 0 CFADMM [O-]c1ccc(F)cc1-c1ccnc(N2CCCCC2)n1 ZINC001240695215 780365928 /nfs/dbraw/zinc/36/59/28/780365928.db2.gz FOMHNTROHBBALI-UHFFFAOYSA-N -1 1 273.311 2.979 20 0 CFADMM NC(=O)c1cc2ccccc2c(-c2cc(F)ccc2[O-])n1 ZINC001240695148 780366451 /nfs/dbraw/zinc/36/64/51/780366451.db2.gz CHMYLEBOOUXZOM-UHFFFAOYSA-N -1 1 282.274 2.845 20 0 CFADMM [O-]c1ccc(F)cc1-c1cc(O[C@@H]2CCOC2)ccn1 ZINC001240698385 780370684 /nfs/dbraw/zinc/37/06/84/780370684.db2.gz YNTKDISGPUITRJ-GFCCVEGCSA-N -1 1 275.279 2.761 20 0 CFADMM CN(C)c1ccc(-c2noc(-c3ncccc3[O-])n2)cc1 ZINC001212481069 780395679 /nfs/dbraw/zinc/39/56/79/780395679.db2.gz YVBYJXYXMWZUSW-UHFFFAOYSA-N -1 1 282.303 2.570 20 0 CFADMM COc1cnc(SC)nc1-c1ccc([O-])c(F)c1 ZINC001240783430 780436077 /nfs/dbraw/zinc/43/60/77/780436077.db2.gz QJTUGMBOJNHSEF-UHFFFAOYSA-N -1 1 266.297 2.719 20 0 CFADMM COC(=O)c1ccnc(-c2ccc([O-])c(F)c2)c1F ZINC001240782694 780436120 /nfs/dbraw/zinc/43/61/20/780436120.db2.gz DJVVKTCBEKKLIW-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM CC(C)(C)C(=O)Nc1ccc(-c2ccc([O-])c(F)c2)nn1 ZINC001240782347 780436569 /nfs/dbraw/zinc/43/65/69/780436569.db2.gz WPBADPPVHZBJAH-UHFFFAOYSA-N -1 1 289.310 2.973 20 0 CFADMM COC(=O)c1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241117669 780646316 /nfs/dbraw/zinc/64/63/16/780646316.db2.gz UMUHFSUNOKKCBR-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM Cn1cnc2cnc(-c3c(F)cc([O-])cc3F)cc21 ZINC001241118087 780646406 /nfs/dbraw/zinc/64/64/06/780646406.db2.gz GVLPPTOQEVGMQG-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM [O-]c1cc(F)c(-c2cncc(N3CCCC3)n2)c(F)c1 ZINC001241118129 780646566 /nfs/dbraw/zinc/64/65/66/780646566.db2.gz ISVDHEGIKQPQIQ-UHFFFAOYSA-N -1 1 277.274 2.728 20 0 CFADMM CCN(CC)c1cncc(-c2c(F)cc([O-])cc2F)n1 ZINC001241119112 780647295 /nfs/dbraw/zinc/64/72/95/780647295.db2.gz XXMQFUSIIBAGIV-UHFFFAOYSA-N -1 1 279.290 2.974 20 0 CFADMM COC(=O)c1cc(-c2c(F)cc([O-])cc2F)ccn1 ZINC001241118957 780647487 /nfs/dbraw/zinc/64/74/87/780647487.db2.gz JWOVGPFUYANXKL-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM CS(=O)(=O)Nc1ccccc1-c1c(F)cc([O-])cc1F ZINC001241120592 780648291 /nfs/dbraw/zinc/64/82/91/780648291.db2.gz BTUPMQUGKGPBER-UHFFFAOYSA-N -1 1 299.298 2.709 20 0 CFADMM CCN(CC)c1ncc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241122435 780650634 /nfs/dbraw/zinc/65/06/34/780650634.db2.gz CWIQYSWXMDMMDR-UHFFFAOYSA-N -1 1 279.290 2.974 20 0 CFADMM CN1C(=O)COc2ccc(-c3c(F)cc([O-])cc3F)cc21 ZINC001241121704 780651092 /nfs/dbraw/zinc/65/10/92/780651092.db2.gz CEIDDDBZSPHPQS-UHFFFAOYSA-N -1 1 291.253 2.693 20 0 CFADMM O=C1Cc2cc(-c3c(F)cc([O-])cc3F)ccc2N1 ZINC001241121722 780651318 /nfs/dbraw/zinc/65/13/18/780651318.db2.gz DCRIHHNBUBAARU-UHFFFAOYSA-N -1 1 261.227 2.832 20 0 CFADMM [O-]c1cc(F)c(-c2ccnc(N3CCOCC3)c2)c(F)c1 ZINC001241122557 780652394 /nfs/dbraw/zinc/65/23/94/780652394.db2.gz SRHNOFUDQIYJAH-UHFFFAOYSA-N -1 1 292.285 2.569 20 0 CFADMM CC(C)NC(=O)c1cncc(-c2c(F)cc([O-])cc2F)c1 ZINC001241122836 780652540 /nfs/dbraw/zinc/65/25/40/780652540.db2.gz NRHNEJSJDFMIBP-UHFFFAOYSA-N -1 1 292.285 2.871 20 0 CFADMM NC(=O)c1c(F)cc(-c2c(F)cc([O-])cc2F)cc1F ZINC001241125463 780653734 /nfs/dbraw/zinc/65/37/34/780653734.db2.gz YANBNYJMWFKLID-UHFFFAOYSA-N -1 1 285.196 2.715 20 0 CFADMM [O-]c1cc(F)c(-c2cnc(OCC3CC3)cn2)c(F)c1 ZINC001241125467 780653960 /nfs/dbraw/zinc/65/39/60/780653960.db2.gz YCLUWDYWTFRBBZ-UHFFFAOYSA-N -1 1 278.258 2.916 20 0 CFADMM CN(C)Cc1ccc(-c2ccc(F)c(C(=O)[O-])c2)nc1 ZINC001241242323 780725862 /nfs/dbraw/zinc/72/58/62/780725862.db2.gz FRPFUSOSDADLFQ-UHFFFAOYSA-N -1 1 274.295 2.648 20 0 CFADMM Cc1nc2c[nH]cc(-c3ccc(F)c(C(=O)[O-])c3)c-2n1 ZINC001241247147 780732222 /nfs/dbraw/zinc/73/22/22/780732222.db2.gz POVLKQFVIPWAHL-UHFFFAOYSA-N -1 1 271.251 2.771 20 0 CFADMM Cc1nc2c(cncc2-c2ccc(F)c(C(=O)[O-])c2)[nH]1 ZINC001241247147 780732227 /nfs/dbraw/zinc/73/22/27/780732227.db2.gz POVLKQFVIPWAHL-UHFFFAOYSA-N -1 1 271.251 2.771 20 0 CFADMM CSc1nc(-c2cc([O-])cc(F)c2)ncc1F ZINC001241256398 780737032 /nfs/dbraw/zinc/73/70/32/780737032.db2.gz UBUCIXZCUQPVGK-UHFFFAOYSA-N -1 1 254.261 2.849 20 0 CFADMM COC(=O)c1cccc2cnc(-c3cc([O-])cc(F)c3)nc21 ZINC001241263020 780742388 /nfs/dbraw/zinc/74/23/88/780742388.db2.gz WMLOLDPIASSJLA-UHFFFAOYSA-N -1 1 298.273 2.928 20 0 CFADMM CCN(C)c1cc(-c2c(F)ccc([O-])c2F)ncn1 ZINC001241289174 780758231 /nfs/dbraw/zinc/75/82/31/780758231.db2.gz MPPMTXYFKWPMNI-UHFFFAOYSA-N -1 1 265.263 2.584 20 0 CFADMM CCc1cc(C)nc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290607 780760207 /nfs/dbraw/zinc/76/02/07/780760207.db2.gz BFKJJHITICVFCF-UHFFFAOYSA-N -1 1 250.248 2.998 20 0 CFADMM COc1cnc(-c2c(F)ccc([O-])c2F)nc1NC1CC1 ZINC001241291379 780761147 /nfs/dbraw/zinc/76/11/47/780761147.db2.gz YHQWWTWEZMARBR-UHFFFAOYSA-N -1 1 293.273 2.710 20 0 CFADMM [O-]c1ccc(F)c(-c2nccc(NC3CC3)n2)c1F ZINC001241291307 780761410 /nfs/dbraw/zinc/76/14/10/780761410.db2.gz WGFSPQJKFNMECT-UHFFFAOYSA-N -1 1 263.247 2.702 20 0 CFADMM Cc1nc2[nH]ccc2c(-c2c(F)ccc([O-])c2F)n1 ZINC001241291187 780761455 /nfs/dbraw/zinc/76/14/55/780761455.db2.gz IGPGDJLVGGTHSH-UHFFFAOYSA-N -1 1 261.231 2.869 20 0 CFADMM CNC(=S)Nc1ccc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241291770 780761794 /nfs/dbraw/zinc/76/17/94/780761794.db2.gz WNUVWKKRWSSLCK-UHFFFAOYSA-N -1 1 295.314 2.649 20 0 CFADMM CC(=O)c1ccc(F)c(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1 ZINC001241304118 780770007 /nfs/dbraw/zinc/77/00/07/780770007.db2.gz XXCRDHDOMFTBQX-UHFFFAOYSA-N -1 1 297.285 2.508 20 0 CFADMM O=C([O-])c1ccc(-c2cccc3[nH]nnc32)cc1Cl ZINC001241348804 780801465 /nfs/dbraw/zinc/80/14/65/780801465.db2.gz BWSPWGLTQABZLZ-UHFFFAOYSA-N -1 1 273.679 2.977 20 0 CFADMM CC[C@H]1CO[C@H](C)CN1Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701820786 780841054 /nfs/dbraw/zinc/84/10/54/780841054.db2.gz QAQGXNXVGYSYHX-OCCSQVGLSA-N -1 1 277.364 2.693 20 0 CFADMM CCCOc1cccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1 ZINC001241593926 781003939 /nfs/dbraw/zinc/00/39/39/781003939.db2.gz XHMQUYCBZOGDLQ-UHFFFAOYSA-N -1 1 295.338 2.955 20 0 CFADMM CCCc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001241689295 781074230 /nfs/dbraw/zinc/07/42/30/781074230.db2.gz QBNHNLUFNKZHHU-UHFFFAOYSA-N -1 1 265.320 2.881 20 0 CFADMM CCCc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001241689295 781074234 /nfs/dbraw/zinc/07/42/34/781074234.db2.gz QBNHNLUFNKZHHU-UHFFFAOYSA-N -1 1 265.320 2.881 20 0 CFADMM [O-]c1ccc(-c2ncc3nc[nH]c3n2)cc1C(F)(F)F ZINC001242147861 781301170 /nfs/dbraw/zinc/30/11/70/781301170.db2.gz GIUHQORIIDIARB-UHFFFAOYSA-N -1 1 280.209 2.696 20 0 CFADMM COc1nccc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151175 781302706 /nfs/dbraw/zinc/30/27/06/781302706.db2.gz GQXYNPNHYLSKIF-UHFFFAOYSA-N -1 1 270.210 2.877 20 0 CFADMM CN(C)c1nccc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151663 781303929 /nfs/dbraw/zinc/30/39/29/781303929.db2.gz SYHQMUOBGNDIQB-UHFFFAOYSA-N -1 1 283.253 2.934 20 0 CFADMM CNC(=O)c1ccnc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242153153 781304337 /nfs/dbraw/zinc/30/43/37/781304337.db2.gz SHCTWKDUOOMXCW-UHFFFAOYSA-N -1 1 296.248 2.833 20 0 CFADMM COC(=O)c1ncc(-c2ccc(F)cc2[O-])cc1C ZINC001242217598 781333454 /nfs/dbraw/zinc/33/34/54/781333454.db2.gz FVCYYGKGTBLADG-UHFFFAOYSA-N -1 1 261.252 2.688 20 0 CFADMM O=c1ccc(-c2ccc(F)cc2[O-])nn1CC1CCC1 ZINC001242219358 781333938 /nfs/dbraw/zinc/33/39/38/781333938.db2.gz FVRLCXMOSNEQBP-UHFFFAOYSA-N -1 1 274.295 2.555 20 0 CFADMM O=c1cc(-c2ccc(F)cc2[O-])cnn1-c1ccccc1 ZINC001242219686 781334160 /nfs/dbraw/zinc/33/41/60/781334160.db2.gz LRSLJOCJXPLFSB-UHFFFAOYSA-N -1 1 282.274 2.744 20 0 CFADMM O=C([O-])Cc1cccc(-c2ccc3cncn3c2)c1 ZINC001242263894 781348946 /nfs/dbraw/zinc/34/89/46/781348946.db2.gz RRNHKEQHYRDCLU-UHFFFAOYSA-N -1 1 252.273 2.628 20 0 CFADMM COC(=O)c1ncc(F)cc1-c1cccc(F)c1[O-] ZINC001242352865 781426169 /nfs/dbraw/zinc/42/61/69/781426169.db2.gz SXNSXDPWKPGPRT-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM [O-]c1c(F)cccc1-c1cnc(OC2CCC2)nc1 ZINC001242352754 781426826 /nfs/dbraw/zinc/42/68/26/781426826.db2.gz POCOHGCOONRKEZ-UHFFFAOYSA-N -1 1 260.268 2.920 20 0 CFADMM [O-]c1c(Cl)cccc1-c1cncc(N2CCOCC2)c1 ZINC001242366758 781439126 /nfs/dbraw/zinc/43/91/26/781439126.db2.gz TWBQASPAGYZUMQ-UHFFFAOYSA-N -1 1 290.750 2.944 20 0 CFADMM COc1cccc(-c2cccc(Cl)c2[O-])c1C(N)=O ZINC001242367592 781439394 /nfs/dbraw/zinc/43/93/94/781439394.db2.gz NWVCGGPTIDKNMC-UHFFFAOYSA-N -1 1 277.707 2.820 20 0 CFADMM Fc1ccc2oc(-c3ccc(-c4nnn[n-]4)nc3)cc2c1 ZINC001242707073 781709561 /nfs/dbraw/zinc/70/95/61/781709561.db2.gz IPHYLPGRQNSGMH-UHFFFAOYSA-N -1 1 281.250 2.814 20 0 CFADMM Fc1ccc2oc(-c3ccc(-c4nn[n-]n4)nc3)cc2c1 ZINC001242707073 781709564 /nfs/dbraw/zinc/70/95/64/781709564.db2.gz IPHYLPGRQNSGMH-UHFFFAOYSA-N -1 1 281.250 2.814 20 0 CFADMM CCOC(=O)c1cc(-c2cccc([O-])c2Cl)nc(C)n1 ZINC001242798769 781764483 /nfs/dbraw/zinc/76/44/83/781764483.db2.gz ZAYXLJHSOAZOJR-UHFFFAOYSA-N -1 1 292.722 2.988 20 0 CFADMM COC(=O)c1cc(OC)nc(-c2cccc([O-])c2Cl)c1 ZINC001242799006 781764514 /nfs/dbraw/zinc/76/45/14/781764514.db2.gz QAFSBAOZAFEWAM-UHFFFAOYSA-N -1 1 293.706 2.903 20 0 CFADMM CC(=O)Nc1cnc(-c2cccc([O-])c2Cl)nc1C ZINC001242801450 781767240 /nfs/dbraw/zinc/76/72/40/781767240.db2.gz SMYQVYHIFMCVOM-UHFFFAOYSA-N -1 1 277.711 2.769 20 0 CFADMM CC(C)n1cc(-c2cccc([O-])c2Cl)ncc1=O ZINC001242801694 781767406 /nfs/dbraw/zinc/76/74/06/781767406.db2.gz DOTHYNYSTYFGPV-UHFFFAOYSA-N -1 1 264.712 2.850 20 0 CFADMM Cn1cc(-c2cccc([O-])c2Cl)c2cc[nH]c2c1=O ZINC001242802230 781767618 /nfs/dbraw/zinc/76/76/18/781767618.db2.gz BSDBVWUPIGGKRD-UHFFFAOYSA-N -1 1 274.707 2.893 20 0 CFADMM NC(=O)c1nc2ccc(-c3cccc([O-])c3Cl)cc2o1 ZINC001242803420 781769083 /nfs/dbraw/zinc/76/90/83/781769083.db2.gz PJZSXUSQNFNPTD-UHFFFAOYSA-N -1 1 288.690 2.953 20 0 CFADMM C[C@H]1CC(NC(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H](C)C1 ZINC000822353723 781899259 /nfs/dbraw/zinc/89/92/59/781899259.db2.gz WYDLDIINUNQHLQ-NXEZZACHSA-N -1 1 289.379 2.614 20 0 CFADMM CCC1(CNC(=O)c2cnc(C3CC3)[n-]c2=O)CCCC1 ZINC000822683354 781909969 /nfs/dbraw/zinc/90/99/69/781909969.db2.gz LFNJODQLOKMYKT-UHFFFAOYSA-N -1 1 289.379 2.760 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC=C(F)C1 ZINC000273033548 192025991 /nfs/dbraw/zinc/02/59/91/192025991.db2.gz DXODGNJTHYPBGQ-UHFFFAOYSA-N -1 1 255.676 2.745 20 0 CFADMM CCCOc1cccc(CC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000124702012 187149219 /nfs/dbraw/zinc/14/92/19/187149219.db2.gz BTIMXEKEORMZCA-INIZCTEOSA-N -1 1 293.363 2.592 20 0 CFADMM CC[C@]1(C(C)C)C[C@@H]1N=c1nc([C@H](C)OC)[n-]s1 ZINC000413387605 529388206 /nfs/dbraw/zinc/38/82/06/529388206.db2.gz VQEWOUAZPANWFB-OUJBWJOFSA-N -1 1 269.414 2.904 20 0 CFADMM CCOc1cc(C(=O)NOCC(C)C)cc(Cl)c1[O-] ZINC000273875984 192345484 /nfs/dbraw/zinc/34/54/84/192345484.db2.gz RGPRIHCVBUTOFZ-UHFFFAOYSA-N -1 1 287.743 2.762 20 0 CFADMM FC(F)(F)c1nc(=NC[C@@H]2CC[C@@H]3C[C@@H]3C2)s[n-]1 ZINC000403321872 290027048 /nfs/dbraw/zinc/02/70/48/290027048.db2.gz LUTJDFNAPWTJRQ-PRJMDXOYSA-N -1 1 277.315 2.827 20 0 CFADMM CCc1cnc(CNC(=O)c2ccc(Cl)cc2[O-])s1 ZINC000174599198 529651655 /nfs/dbraw/zinc/65/16/55/529651655.db2.gz AMUBDWMAFMFFQR-UHFFFAOYSA-N -1 1 296.779 2.995 20 0 CFADMM CCc1ccc(CN[C@@H](CC2CCCC2)C(=O)[O-])o1 ZINC000426734080 529655015 /nfs/dbraw/zinc/65/50/15/529655015.db2.gz PETRBZZYWGXPFN-AWEZNQCLSA-N -1 1 265.353 2.965 20 0 CFADMM CCc1ccc(NC(=O)c2cncc([O-])c2)cc1F ZINC000179000751 529687003 /nfs/dbraw/zinc/68/70/03/529687003.db2.gz NEXYBHIOLXZJOP-UHFFFAOYSA-N -1 1 260.268 2.741 20 0 CFADMM CCc1nc(CNCc2cccc(F)c2)ccc1C(=O)[O-] ZINC000426651306 529740222 /nfs/dbraw/zinc/74/02/22/529740222.db2.gz LIOBSXYBXKXOMV-UHFFFAOYSA-N -1 1 288.322 2.771 20 0 CFADMM CCOc1cc(C(=O)N[C@H]2CC2(C)C)cc(Cl)c1[O-] ZINC000273929371 192367413 /nfs/dbraw/zinc/36/74/13/192367413.db2.gz HOIDUXWIZCCYEX-NSHDSACASA-N -1 1 283.755 2.973 20 0 CFADMM C[C@@H]1CN(Cc2nc(C(C)(C)C)cs2)CC[C@H]1C(=O)[O-] ZINC000394400400 539440031 /nfs/dbraw/zinc/44/00/31/539440031.db2.gz HTGFDLGANHMKHP-GHMZBOCLSA-N -1 1 296.436 2.983 20 0 CFADMM CCn1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000129589890 539465241 /nfs/dbraw/zinc/46/52/41/539465241.db2.gz XCLNBGUGIHUEOJ-UHFFFAOYSA-N -1 1 265.700 2.514 20 0 CFADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1nc2ccccc2[nH]1 ZINC000157180526 232236235 /nfs/dbraw/zinc/23/62/35/232236235.db2.gz SJIIIEWJKGQXSZ-SECBINFHSA-N -1 1 299.305 2.899 20 0 CFADMM CSc1ccc([N-]S(=O)(=O)Cc2ccccc2)nc1 ZINC000161921176 232253057 /nfs/dbraw/zinc/25/30/57/232253057.db2.gz CIOQCIVYXXVEGY-UHFFFAOYSA-N -1 1 294.401 2.745 20 0 CFADMM COc1cccc(CCNC(=O)c2cc(F)ccc2[O-])c1 ZINC000175197686 232308548 /nfs/dbraw/zinc/30/85/48/232308548.db2.gz PJEOXSIZSZZGDE-UHFFFAOYSA-N -1 1 289.306 2.512 20 0 CFADMM Cc1c(NC(=O)c2cc3ccccc3cc2[O-])cnn1C ZINC000176942742 232345705 /nfs/dbraw/zinc/34/57/05/232345705.db2.gz DZMNPUREHLJRTH-UHFFFAOYSA-N -1 1 281.315 2.840 20 0 CFADMM O=C([O-])[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000003756190 346208857 /nfs/dbraw/zinc/20/88/57/346208857.db2.gz HPMXTCYMTIZUKD-GFCCVEGCSA-N -1 1 298.726 2.687 20 0 CFADMM CCN(CCC(=O)[O-])Cc1cc(-c2cccs2)on1 ZINC000038024870 346336722 /nfs/dbraw/zinc/33/67/22/346336722.db2.gz UWWQERGNBHGVIA-UHFFFAOYSA-N -1 1 280.349 2.700 20 0 CFADMM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1c([O-])cccc1F ZINC000128408092 187368669 /nfs/dbraw/zinc/36/86/69/187368669.db2.gz BCCRUNMULGPNQX-IAQYHMDHSA-N -1 1 295.354 2.712 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC2(CC(F)C2)C1 ZINC000677125365 539546308 /nfs/dbraw/zinc/54/63/08/539546308.db2.gz VVCIFGOZBCZESB-UHFFFAOYSA-N -1 1 269.703 2.620 20 0 CFADMM CCCc1nc(CN2CCC[C@](C)(C(=O)[O-])C2)cs1 ZINC000062876317 346692808 /nfs/dbraw/zinc/69/28/08/346692808.db2.gz IYCDQLPHEMGOFA-AWEZNQCLSA-N -1 1 282.409 2.782 20 0 CFADMM CCn1cc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)cn1 ZINC000066575077 346768814 /nfs/dbraw/zinc/76/88/14/346768814.db2.gz XCYIRIAWZHMXLR-UHFFFAOYSA-N -1 1 299.783 2.666 20 0 CFADMM O=C(c1ncc2ccccc2c1[O-])N1CCC2(CC2)CC1 ZINC000668532100 539556897 /nfs/dbraw/zinc/55/68/97/539556897.db2.gz UCRJAAZXPJXRCL-UHFFFAOYSA-N -1 1 282.343 2.957 20 0 CFADMM C[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])C[C@H](C)O ZINC000081796463 347436250 /nfs/dbraw/zinc/43/62/50/347436250.db2.gz RSRTZLHNGQHQMJ-NEPJUHHUSA-N -1 1 287.359 2.682 20 0 CFADMM CSc1nsc([N-]C(=O)c2cnc(C3CC3)s2)n1 ZINC000084629069 347469322 /nfs/dbraw/zinc/46/93/22/347469322.db2.gz ROKZDNLFSITRQX-UHFFFAOYSA-N -1 1 298.418 2.846 20 0 CFADMM O=S(=O)([N-]C1CCSCC1)c1cc2ccccc2o1 ZINC000084937405 347477036 /nfs/dbraw/zinc/47/70/36/347477036.db2.gz BVCAOZSZMOXVIV-UHFFFAOYSA-N -1 1 297.401 2.607 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cncc(F)c1 ZINC000124893422 347826279 /nfs/dbraw/zinc/82/62/79/347826279.db2.gz OVAVJVCFDBTHSD-UHFFFAOYSA-N -1 1 266.659 2.832 20 0 CFADMM O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1cncc([O-])c1 ZINC000131685295 347879911 /nfs/dbraw/zinc/87/99/11/347879911.db2.gz XLIUNTOESKPIOI-YOEHRIQHSA-N 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/nfs/dbraw/zinc/66/83/83/539668383.db2.gz BWRXSIFCBKKLGC-STQMWFEESA-N -1 1 293.338 2.609 20 0 CFADMM CCN(CCSC)C(=O)c1ccc(Cl)cc1[O-] ZINC000592740224 349161713 /nfs/dbraw/zinc/16/17/13/349161713.db2.gz DUEBICJKIXYWFX-UHFFFAOYSA-N -1 1 273.785 2.871 20 0 CFADMM O=C(N[C@@H]1CCc2sc(Cl)cc21)c1ncccc1[O-] ZINC000356716709 295800070 /nfs/dbraw/zinc/80/00/70/295800070.db2.gz YOIIRVZZYQCINP-MRVPVSSYSA-N -1 1 294.763 2.919 20 0 CFADMM O=C([O-])C1CN(Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000414651197 233314633 /nfs/dbraw/zinc/31/46/33/233314633.db2.gz FMHMJZVURUDDOB-UHFFFAOYSA-N -1 1 293.269 2.741 20 0 CFADMM O=C([N-][C@@H]1COc2c1ccc(Cl)c2Cl)C(F)F ZINC000369609137 295803785 /nfs/dbraw/zinc/80/37/85/295803785.db2.gz MASCKFUPMRZPCA-ZCFIWIBFSA-N -1 1 282.073 2.808 20 0 CFADMM CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1O ZINC000104861918 186028471 /nfs/dbraw/zinc/02/84/71/186028471.db2.gz MUENUBGLVALTIH-GFCCVEGCSA-N -1 1 282.771 2.859 20 0 CFADMM CC(C)[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[O-])CCO1 ZINC000271341080 191083571 /nfs/dbraw/zinc/08/35/71/191083571.db2.gz CDVNOFDETGMSKB-SMDDNHRTSA-N -1 1 297.782 2.979 20 0 CFADMM Cc1ccc(C)c(S([O-])=CC(=O)c2ccc[nH]2)c1 ZINC000107964042 186200524 /nfs/dbraw/zinc/20/05/24/186200524.db2.gz YUEJFOQNLVSAIC-GOSISDBHSA-N -1 1 261.346 2.622 20 0 CFADMM Cc1ccc(C)c([S@@](=O)C=C([O-])c2ccc[nH]2)c1 ZINC000107964042 186200526 /nfs/dbraw/zinc/20/05/26/186200526.db2.gz YUEJFOQNLVSAIC-GOSISDBHSA-N -1 1 261.346 2.622 20 0 CFADMM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C1CCC1 ZINC000133178658 539803115 /nfs/dbraw/zinc/80/31/15/539803115.db2.gz OUCHEGYQJFTKFE-QMMMGPOBSA-N -1 1 291.775 2.946 20 0 CFADMM Cc1ccc2cccc(NC(=O)c3cncc([O-])c3)c2n1 ZINC000109041400 186241162 /nfs/dbraw/zinc/24/11/62/186241162.db2.gz DQZMLNGZRCUUCD-UHFFFAOYSA-N -1 1 279.299 2.896 20 0 CFADMM O=C(Nc1ccc2c(c1)CCC2)c1cncc([O-])c1 ZINC000109040579 186241371 /nfs/dbraw/zinc/24/13/71/186241371.db2.gz GNOPKALPUHXWQV-UHFFFAOYSA-N -1 1 254.289 2.528 20 0 CFADMM COc1ccc(CN(C(=O)c2cncc([O-])c2)C2CC2)cc1 ZINC000109042323 186241391 /nfs/dbraw/zinc/24/13/91/186241391.db2.gz IVGZOLFXALDTBA-UHFFFAOYSA-N -1 1 298.342 2.601 20 0 CFADMM Cc1ccc([C@H](C)NC(=O)c2cncc([O-])c2)cc1 ZINC000109040932 186241476 /nfs/dbraw/zinc/24/14/76/186241476.db2.gz RXWARYCJOACJQJ-NSHDSACASA-N -1 1 256.305 2.587 20 0 CFADMM CCOC(=O)c1cc(-c2ncc(C(C)C)s2)[n-]n1 ZINC000600794064 350613507 /nfs/dbraw/zinc/61/35/07/350613507.db2.gz SMZNLRYNGWXQLU-UHFFFAOYSA-N -1 1 265.338 2.833 20 0 CFADMM CC1=NN(c2ccc(C(=O)Nc3ccncc3[O-])cc2)CC1 ZINC000109890784 186277660 /nfs/dbraw/zinc/27/76/60/186277660.db2.gz LQRDFFMQDDXLCY-UHFFFAOYSA-N -1 1 296.330 2.626 20 0 CFADMM CCOc1ccc2cc(C(=O)Nc3ccncc3[O-])[nH]c2c1 ZINC000109889698 186277732 /nfs/dbraw/zinc/27/77/32/186277732.db2.gz VQSGCXKXRNQOOM-UHFFFAOYSA-N -1 1 297.314 2.920 20 0 CFADMM O=C(Nc1ccncc1[O-])c1sccc1Br ZINC000109891134 186278472 /nfs/dbraw/zinc/27/84/72/186278472.db2.gz LKHNKGKEKSPZMK-UHFFFAOYSA-N -1 1 299.149 2.864 20 0 CFADMM CC(C)[C@@H](CNC(=O)c1cncc([O-])c1)Nc1ccccc1 ZINC000109940710 186280270 /nfs/dbraw/zinc/28/02/70/186280270.db2.gz GICXDVFRFVYZDG-MRXNPFEDSA-N -1 1 299.374 2.654 20 0 CFADMM O=C(NCCCCc1ccccc1)c1cncc([O-])c1 ZINC000600929922 350632688 /nfs/dbraw/zinc/63/26/88/350632688.db2.gz AKWCVJXPVSUUTG-UHFFFAOYSA-N -1 1 270.332 2.540 20 0 CFADMM CSC1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000601692003 350761054 /nfs/dbraw/zinc/76/10/54/350761054.db2.gz QGDRLTIJYYWWBI-UHFFFAOYSA-N -1 1 287.331 2.638 20 0 CFADMM COC(=O)c1cccc(-n2[n-]c(C)c(C3CC3)c2=O)c1C ZINC000601947521 350814237 /nfs/dbraw/zinc/81/42/37/350814237.db2.gz ACTMCTQPNHXTJN-CQSZACIVSA-N -1 1 286.331 2.530 20 0 CFADMM CCCc1cc(=O)n(-c2ccc(C)c(C(=O)OC)c2)[n-]1 ZINC000601949355 350816252 /nfs/dbraw/zinc/81/62/52/350816252.db2.gz JKRKYCXJKRYWNK-UHFFFAOYSA-N -1 1 274.320 2.674 20 0 CFADMM Cc1noc(C)c1[C@H](C)C(=O)Nc1c([O-])cccc1F ZINC000605436711 351246089 /nfs/dbraw/zinc/24/60/89/351246089.db2.gz LXGIMDDDOMGCCU-ZETCQYMHSA-N -1 1 278.283 2.878 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1ccn(-c2ccccc2)n1 ZINC000605439473 351246914 /nfs/dbraw/zinc/24/69/14/351246914.db2.gz IJZSBOZAAPDAFQ-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM Cc1cnc(S[C@H]2CCCC(C)(C)C2=O)[n-]c1=O ZINC000565242009 290288177 /nfs/dbraw/zinc/28/81/77/290288177.db2.gz KPUQEKRYWIFILL-VIFPVBQESA-N -1 1 266.366 2.731 20 0 CFADMM C[C@H](C(=O)Nc1c([O-])cccc1F)C(F)(F)F ZINC000608366195 351425931 /nfs/dbraw/zinc/42/59/31/351425931.db2.gz OVFUBFIUCZMLLU-RXMQYKEDSA-N -1 1 251.179 2.668 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1ccc(-c2ncon2)cc1 ZINC000608365346 351426224 /nfs/dbraw/zinc/42/62/24/351426224.db2.gz HCFZQSIZDQIBGM-UHFFFAOYSA-N -1 1 299.261 2.834 20 0 CFADMM O=C(CSC[C@H]1CCCCO1)Nc1c([O-])cccc1F ZINC000610339782 351555378 /nfs/dbraw/zinc/55/53/78/351555378.db2.gz OORNWXKXCZNDNY-SNVBAGLBSA-N -1 1 299.367 2.772 20 0 CFADMM CCC[C@H](CC)NC(=O)c1c(F)ccc([O-])c1F ZINC000291486195 198034242 /nfs/dbraw/zinc/03/42/42/198034242.db2.gz LCRVACYLNLONQO-QMMMGPOBSA-N -1 1 257.280 2.979 20 0 CFADMM 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298.346 2.785 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@H](C)CC(C)(C)C ZINC000615225425 352169594 /nfs/dbraw/zinc/16/95/94/352169594.db2.gz ARJPUBMLBTVZSK-QMMMGPOBSA-N -1 1 253.346 2.825 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(c2cc(C)cc(C)c2)CC1 ZINC000615225984 352170089 /nfs/dbraw/zinc/17/00/89/352170089.db2.gz IGLFTBOLBQHZOH-UHFFFAOYSA-N -1 1 285.347 2.711 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](C)CSc1ccccc1 ZINC000615228471 352170436 /nfs/dbraw/zinc/17/04/36/352170436.db2.gz WILYFMMLLDQHEH-VIFPVBQESA-N -1 1 291.376 2.791 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000615229238 352170835 /nfs/dbraw/zinc/17/08/35/352170835.db2.gz PWDXZCVIPGMGAD-WDEREUQCSA-N -1 1 291.738 2.819 20 0 CFADMM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2c(C)[n-][nH]c2=O)C1(C)C ZINC000615227910 352171002 /nfs/dbraw/zinc/17/10/02/352171002.db2.gz SMMMWUNFFLQAEP-ZJUUUORDSA-N -1 1 263.341 2.601 20 0 CFADMM CCCC(C)(C)C(=O)N=c1[nH][n-]c(C)c1Br ZINC000616011053 352273777 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/nfs/dbraw/zinc/46/70/62/374467062.db2.gz MNWJLWKOVVNXRI-UHFFFAOYSA-N -1 1 278.333 2.672 20 0 CFADMM Cc1cc(Br)c2c(c1)CN([C@H](C)C(=O)[O-])CC2 ZINC000082791706 374739840 /nfs/dbraw/zinc/73/98/40/374739840.db2.gz UASVOBCVYGQKFB-SECBINFHSA-N -1 1 298.180 2.589 20 0 CFADMM O=C(Nc1ccc2c(c1)COC2)c1cc(F)ccc1[O-] ZINC000092048526 375085478 /nfs/dbraw/zinc/08/54/78/375085478.db2.gz ANFBAGAXBPORIO-UHFFFAOYSA-N -1 1 273.263 2.814 20 0 CFADMM CC(=O)C[C@@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000093098110 375187445 /nfs/dbraw/zinc/18/74/45/375187445.db2.gz DZOIUJADBSOCQN-SNVBAGLBSA-N -1 1 271.316 2.643 20 0 CFADMM O=C([N-]c1nnc(CC2CCCCC2)s1)c1ccon1 ZINC000103455253 375747424 /nfs/dbraw/zinc/74/74/24/375747424.db2.gz SSZICMPROQGUMO-UHFFFAOYSA-N -1 1 292.364 2.901 20 0 CFADMM CC[C@@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)C(C)C ZINC000104313538 375778743 /nfs/dbraw/zinc/77/87/43/375778743.db2.gz JEALBILFWLZGIZ-ZETCQYMHSA-N -1 1 278.278 2.834 20 0 CFADMM CC[C@@H](NC(=O)c1cncc([O-])c1)c1nc2ccccc2[nH]1 ZINC000111598514 375856140 /nfs/dbraw/zinc/85/61/40/375856140.db2.gz PRRCQXADXFHCDA-GFCCVEGCSA-N -1 1 296.330 2.545 20 0 CFADMM CSCc1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000111598610 375856618 /nfs/dbraw/zinc/85/66/18/375856618.db2.gz KLSNMCHRQYFYQB-UHFFFAOYSA-N -1 1 274.345 2.903 20 0 CFADMM CC(C)c1ccc(CNC(=O)c2cncc([O-])c2)cc1 ZINC000111772124 375869551 /nfs/dbraw/zinc/86/95/51/375869551.db2.gz JVMAQEOYWVMDDC-UHFFFAOYSA-N -1 1 270.332 2.841 20 0 CFADMM CC[C@H](NC(=O)c1cncc([O-])c1)c1ccc(C)cc1 ZINC000111776107 375869660 /nfs/dbraw/zinc/86/96/60/375869660.db2.gz KNTRBQFDKDPBIS-HNNXBMFYSA-N -1 1 270.332 2.977 20 0 CFADMM Cc1cc([N-]S(=O)(=O)c2cccc3ncccc32)ccn1 ZINC000112496121 375925802 /nfs/dbraw/zinc/92/58/02/375925802.db2.gz JCQDTYGPFBOWPU-UHFFFAOYSA-N -1 1 299.355 2.739 20 0 CFADMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ncccc1[O-] ZINC000115721318 376148647 /nfs/dbraw/zinc/14/86/47/376148647.db2.gz DYZLLRVEAICIMN-JSGCOSHPSA-N -1 1 282.343 2.805 20 0 CFADMM CC(=O)N(C)c1ccccc1NC(=O)c1ccccc1[O-] ZINC000118264319 376280891 /nfs/dbraw/zinc/28/08/91/376280891.db2.gz WKSYQFMVJWGFBE-UHFFFAOYSA-N -1 1 284.315 2.627 20 0 CFADMM O=C([N-]CCc1nc2ccccc2s1)C(F)(F)F ZINC000263642875 190071259 /nfs/dbraw/zinc/07/12/59/190071259.db2.gz CCJWZNGCHGFIKR-UHFFFAOYSA-N -1 1 274.267 2.517 20 0 CFADMM Cc1c(CCC(=O)Nc2ccc([O-])c(Cl)c2)cnn1C ZINC000121004833 376741888 /nfs/dbraw/zinc/74/18/88/376741888.db2.gz JUDLYUDWGSNEIY-UHFFFAOYSA-N -1 1 293.754 2.659 20 0 CFADMM CCc1cc(=O)[n-]c(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)n1 ZINC000121530161 376852816 /nfs/dbraw/zinc/85/28/16/376852816.db2.gz ZKPOMEFWXLFLOU-YPMHNXCESA-N -1 1 261.369 2.509 20 0 CFADMM CCCc1cc([N-]S(=O)(=O)c2cccc(CC)c2)[nH]n1 ZINC000126489517 377230817 /nfs/dbraw/zinc/23/08/17/377230817.db2.gz VZGJPXFKFRDOKZ-UHFFFAOYSA-N -1 1 293.392 2.725 20 0 CFADMM CCCc1cc([N-]S(=O)(=O)c2cc(C)cc(F)c2)[nH]n1 ZINC000126511193 377233024 /nfs/dbraw/zinc/23/30/24/377233024.db2.gz BCJFPZDMJVWVAX-UHFFFAOYSA-N -1 1 297.355 2.611 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CCOCC12CCC2 ZINC000156832769 284628591 /nfs/dbraw/zinc/62/85/91/284628591.db2.gz CLKUOGLZLSMOFX-UHFFFAOYSA-N -1 1 297.354 2.941 20 0 CFADMM COCCC1(CNC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000129820096 377475526 /nfs/dbraw/zinc/47/55/26/377475526.db2.gz OELXFKXZNCYAOI-UHFFFAOYSA-N -1 1 283.755 2.592 20 0 CFADMM O=C(NCc1nc(C2CC2)cs1)c1c([O-])cccc1F ZINC000130130715 377514529 /nfs/dbraw/zinc/51/45/29/377514529.db2.gz DRKMEKLMRYLUST-UHFFFAOYSA-N -1 1 292.335 2.795 20 0 CFADMM CC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCOCC1 ZINC000679643456 542220093 /nfs/dbraw/zinc/22/00/93/542220093.db2.gz IUBQCKLWVDCMIT-UHFFFAOYSA-N -1 1 269.728 2.801 20 0 CFADMM Cc1ccc([C@H](C)CNC(=O)c2cncc([O-])c2)cc1 ZINC000132161714 377809444 /nfs/dbraw/zinc/80/94/44/377809444.db2.gz ZAOKNBNDMQCFND-GFCCVEGCSA-N -1 1 270.332 2.629 20 0 CFADMM O=C(NCCC[C@@H]1CCCCO1)c1c([O-])cccc1F ZINC000131979706 377787668 /nfs/dbraw/zinc/78/76/68/377787668.db2.gz NRYKGAKEZOWQHZ-NSHDSACASA-N -1 1 281.327 2.610 20 0 CFADMM CCCc1cc(=O)[n-]c(SCCCSC)n1 ZINC000153661659 378503050 /nfs/dbraw/zinc/50/30/50/378503050.db2.gz TZLYLDWXGTWMIB-UHFFFAOYSA-N -1 1 258.412 2.980 20 0 CFADMM CCc1cc(=O)[n-]c(S[C@H](C)c2ncc(C)o2)n1 ZINC000331223978 378652262 /nfs/dbraw/zinc/65/22/62/378652262.db2.gz LVFVQPMFAVYOQV-MRVPVSSYSA-N -1 1 265.338 2.894 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000333918005 378877425 /nfs/dbraw/zinc/87/74/25/378877425.db2.gz CGFSEDSJCDUQBJ-FXBDTBDDSA-N -1 1 279.723 2.599 20 0 CFADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccnc2)[nH]n1 ZINC000162675591 378925796 /nfs/dbraw/zinc/92/57/96/378925796.db2.gz UFQZSKGUVATUSY-SNVBAGLBSA-N -1 1 294.380 2.509 20 0 CFADMM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccoc1 ZINC000334273907 379016100 /nfs/dbraw/zinc/01/61/00/379016100.db2.gz ZXOHKQMSGVRWGD-UHFFFAOYSA-N -1 1 275.688 2.873 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)c2ccoc2)c(F)c1 ZINC000334279589 379025010 /nfs/dbraw/zinc/02/50/10/379025010.db2.gz QNYUULGNFSJPKT-UHFFFAOYSA-N -1 1 255.270 2.528 20 0 CFADMM O=C(NCc1ccccc1)c1c(F)ccc([O-])c1F ZINC000334316819 379082548 /nfs/dbraw/zinc/08/25/48/379082548.db2.gz PHMVDSFGHBWMJM-UHFFFAOYSA-N -1 1 263.243 2.600 20 0 CFADMM Cc1cc(F)cc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000334347306 379132745 /nfs/dbraw/zinc/13/27/45/379132745.db2.gz XEAMIUTZWMXVIH-UHFFFAOYSA-N -1 1 273.263 2.661 20 0 CFADMM COC(=O)c1c[n-]c(SCc2ncc(C(C)(C)C)o2)n1 ZINC000278778624 194151858 /nfs/dbraw/zinc/15/18/58/194151858.db2.gz YZAIIVLEQBGYRR-UHFFFAOYSA-N -1 1 295.364 2.774 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2nnc(CC)s2)n1 ZINC000680021196 542266694 /nfs/dbraw/zinc/26/66/94/542266694.db2.gz AJKAKQDOHWWYSS-UHFFFAOYSA-N -1 1 296.421 2.841 20 0 CFADMM CSCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000171111553 379231708 /nfs/dbraw/zinc/23/17/08/379231708.db2.gz JANCPCRFRYKCMN-UHFFFAOYSA-N -1 1 286.422 2.519 20 0 CFADMM Cc1ccc(-c2nc(CC[N-]C(=O)C(F)(F)F)co2)cc1 ZINC000171119195 379234599 /nfs/dbraw/zinc/23/45/99/379234599.db2.gz BLDUYVAVWYAECT-UHFFFAOYSA-N -1 1 298.264 2.871 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2c(c1)CCO2 ZINC000334417624 379262576 /nfs/dbraw/zinc/26/25/76/379262576.db2.gz ORIBEMJPASOXLO-UHFFFAOYSA-N -1 1 273.263 2.719 20 0 CFADMM C[C@H]1CCN(Cc2c(F)cccc2F)C[C@H]1C(=O)[O-] ZINC000335424235 379271285 /nfs/dbraw/zinc/27/12/85/379271285.db2.gz NSZNBFFDZPSQHU-VHSXEESVSA-N -1 1 269.291 2.507 20 0 CFADMM CC(=O)c1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000334464029 379345267 /nfs/dbraw/zinc/34/52/67/379345267.db2.gz BDNYHWYRELXGPO-UHFFFAOYSA-N -1 1 273.263 2.986 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cc[nH]c1C1CC1 ZINC000334465584 379347750 /nfs/dbraw/zinc/34/77/50/379347750.db2.gz CRJJIUPZTNTVKH-UHFFFAOYSA-N -1 1 260.268 2.989 20 0 CFADMM CC1=C(C)C[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000335513700 379430474 /nfs/dbraw/zinc/43/04/74/379430474.db2.gz IECXRNKUJJJOLD-MRVPVSSYSA-N -1 1 288.273 2.899 20 0 CFADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H](C2CC2)C1 ZINC000334538353 379482287 /nfs/dbraw/zinc/48/22/87/379482287.db2.gz BYICDBMSCMBTIO-VIFPVBQESA-N -1 1 267.275 2.543 20 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269.772 2.781 20 0 CFADMM C[C@H]1[C@@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1(F)F ZINC000335734982 379803088 /nfs/dbraw/zinc/80/30/88/379803088.db2.gz ICKZQXSDOKNVCC-MADCSZMMSA-N -1 1 293.273 2.622 20 0 CFADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1 ZINC000174252455 379852791 /nfs/dbraw/zinc/85/27/91/379852791.db2.gz KFBUTSSMQHBCFO-UHFFFAOYSA-N -1 1 296.373 2.507 20 0 CFADMM NC(=O)c1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000335796972 379905373 /nfs/dbraw/zinc/90/53/73/379905373.db2.gz ARYACRYNBIHZNQ-UHFFFAOYSA-N -1 1 292.241 2.806 20 0 CFADMM Cc1cnc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000335818636 379941405 /nfs/dbraw/zinc/94/14/05/379941405.db2.gz XWOJBVRLHCFKIC-NWDGAFQWSA-N -1 1 262.353 2.746 20 0 CFADMM C[C@H]1CC[C@@H](N(C)C(=O)c2cc(F)ccc2[O-])C1 ZINC000335143020 379982570 /nfs/dbraw/zinc/98/25/70/379982570.db2.gz ANTAJGIPKRSJAQ-GXSJLCMTSA-N -1 1 251.301 2.792 20 0 CFADMM C[C@H]1CC[C@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000335871331 380028863 /nfs/dbraw/zinc/02/88/63/380028863.db2.gz GZBWPQJEDVKQMQ-YUMQZZPRSA-N -1 1 255.264 2.589 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC2(CCCC2)C1 ZINC000175259006 380030879 /nfs/dbraw/zinc/03/08/79/380030879.db2.gz BEMDPRZFHZWINL-UHFFFAOYSA-N -1 1 263.312 2.938 20 0 CFADMM CC[C@@H]1[C@H](CO)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000335899271 380072420 /nfs/dbraw/zinc/07/24/20/380072420.db2.gz FMTKSQAXFGHCGP-XJKSGUPXSA-N -1 1 299.370 2.778 20 0 CFADMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)CS1 ZINC000335248101 380077847 /nfs/dbraw/zinc/07/78/47/380077847.db2.gz GIUPXKPXVQTVGR-KOLCDFICSA-N -1 1 297.401 2.605 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CC[C@H](CC2CC2)C1 ZINC000335917411 380104887 /nfs/dbraw/zinc/10/48/87/380104887.db2.gz NUAKAAKOSFPAEP-LLVKDONJSA-N -1 1 263.312 2.794 20 0 CFADMM O=C(c1ncccc1[O-])N1CCC[C@H]1C1CCCC1 ZINC000045089508 296305798 /nfs/dbraw/zinc/30/57/98/296305798.db2.gz KQONDHFRBFZSNH-LBPRGKRZSA-N -1 1 260.337 2.582 20 0 CFADMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ncccc1[O-] ZINC000176537475 380252041 /nfs/dbraw/zinc/25/20/41/380252041.db2.gz VPQLFCRZQAXCCL-JSGCOSHPSA-N -1 1 282.343 2.805 20 0 CFADMM C[C@]1(F)CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000336157667 380276026 /nfs/dbraw/zinc/27/60/26/380276026.db2.gz VWFBYTDOHKWZDZ-LBPRGKRZSA-N -1 1 291.244 2.985 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@@H](C)[C@@H]3C)cnc2n1 ZINC000177010541 380292504 /nfs/dbraw/zinc/29/25/04/380292504.db2.gz SOZISKIWAPRBFK-KOLCDFICSA-N -1 1 285.347 2.514 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@@H](C)[C@@H]1C)c2=O ZINC000177010541 380292510 /nfs/dbraw/zinc/29/25/10/380292510.db2.gz SOZISKIWAPRBFK-KOLCDFICSA-N -1 1 285.347 2.514 20 0 CFADMM COc1ccc([N-]S(=O)(=O)c2ccsc2)c(C)c1 ZINC000336514623 380393625 /nfs/dbraw/zinc/39/36/25/380393625.db2.gz GCPHRJMOAIQROC-UHFFFAOYSA-N -1 1 283.374 2.866 20 0 CFADMM Cc1cnc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000336524019 380408894 /nfs/dbraw/zinc/40/88/94/380408894.db2.gz MTDOXCVMPHFENB-VIFPVBQESA-N -1 1 288.269 2.510 20 0 CFADMM Cc1ocnc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000336566880 380477222 /nfs/dbraw/zinc/47/72/22/380477222.db2.gz CHHPIKUYCJEFPU-UHFFFAOYSA-N -1 1 256.183 2.653 20 0 CFADMM Cc1cnc(C(=O)N(C)C2CCCCCC2)c([O-])c1 ZINC000336624897 380568280 /nfs/dbraw/zinc/56/82/80/380568280.db2.gz MMBGXDCPPRNSMX-UHFFFAOYSA-N -1 1 262.353 2.890 20 0 CFADMM Cc1c(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cnn1C ZINC000180705110 380691374 /nfs/dbraw/zinc/69/13/74/380691374.db2.gz ZDIRYUXNWHDWRT-UHFFFAOYSA-N -1 1 299.252 2.705 20 0 CFADMM O=C(Nc1cnn(-c2ccccc2)c1)c1ccc([O-])cc1F ZINC000181183124 380753175 /nfs/dbraw/zinc/75/31/75/380753175.db2.gz WDUGOLLBEBOCAN-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM C[C@H]1CCCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000181190262 380753722 /nfs/dbraw/zinc/75/37/22/380753722.db2.gz RMIZUUUUOKWHBB-JTQLQIEISA-N -1 1 251.301 2.794 20 0 CFADMM O=C(NCCc1ccc(F)cc1)c1ccc([O-])cc1F ZINC000181044937 380728878 /nfs/dbraw/zinc/72/88/78/380728878.db2.gz LHPIKJPZVLGCHA-UHFFFAOYSA-N -1 1 277.270 2.643 20 0 CFADMM COCc1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000181884040 380926233 /nfs/dbraw/zinc/92/62/33/380926233.db2.gz OZHZGVKPQDGCHG-UHFFFAOYSA-N -1 1 275.279 2.930 20 0 CFADMM C[C@H]1CN(Cc2cccc([O-])c2Cl)[C@@H](C)CO1 ZINC000295487346 380889738 /nfs/dbraw/zinc/88/97/38/380889738.db2.gz XLPFJHNXYJAUNK-UWVGGRQHSA-N -1 1 255.745 2.655 20 0 CFADMM COc1ccc(OC)c(NC(=O)c2ccc([O-])cc2F)c1 ZINC000181832352 380910580 /nfs/dbraw/zinc/91/05/80/380910580.db2.gz QXYOZGLOEJQTBU-UHFFFAOYSA-N -1 1 291.278 2.801 20 0 CFADMM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cncc([O-])c1 ZINC000408005433 380911611 /nfs/dbraw/zinc/91/16/11/380911611.db2.gz QKYCCLRSCJJDKV-YRGRVCCFSA-N -1 1 274.364 2.876 20 0 CFADMM CC[C@H](NC(=O)c1ncccc1[O-])c1cc(F)ccc1F ZINC000358614504 380970541 /nfs/dbraw/zinc/97/05/41/380970541.db2.gz HXKPWNHRCQCNCB-LBPRGKRZSA-N -1 1 292.285 2.947 20 0 CFADMM Cc1ccc(C[C@@H](C)NC(=O)c2ncc(C)cc2[O-])s1 ZINC000358617172 380970634 /nfs/dbraw/zinc/97/06/34/380970634.db2.gz PGWJXKDCDVCGFF-SNVBAGLBSA-N -1 1 290.388 2.827 20 0 CFADMM CC(=O)C[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182073416 380982848 /nfs/dbraw/zinc/98/28/48/380982848.db2.gz COTHJIYKEDJOIJ-SSDOTTSWSA-N -1 1 289.253 2.508 20 0 CFADMM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cncc([O-])c1 ZINC000279292943 194372235 /nfs/dbraw/zinc/37/22/35/194372235.db2.gz YIJXQBHLGQZGLQ-INIZCTEOSA-N -1 1 299.374 2.883 20 0 CFADMM Cc1cnc(C(=O)N[C@@H](C)Cc2ccccc2F)c([O-])c1 ZINC000358655066 380993185 /nfs/dbraw/zinc/99/31/85/380993185.db2.gz XRIVMCGBOFESHB-NSHDSACASA-N -1 1 288.322 2.596 20 0 CFADMM CCC[C@H](NC(=O)C(C)=Cc1ccc(C)cc1)c1nn[n-]n1 ZINC000182327411 381063463 /nfs/dbraw/zinc/06/34/63/381063463.db2.gz ABPCGOQLVKKOFH-WONIAPNHSA-N -1 1 299.378 2.569 20 0 CFADMM Cc1cnc(C(=O)N(Cc2cccs2)C2CC2)c([O-])c1 ZINC000358733505 381041712 /nfs/dbraw/zinc/04/17/12/381041712.db2.gz MTSDVOPDPQXSCE-UHFFFAOYSA-N -1 1 288.372 2.962 20 0 CFADMM O=C1CCC[C@H]1CCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289638140 381078123 /nfs/dbraw/zinc/07/81/23/381078123.db2.gz WLXBOYCYYCCRTF-ZETCQYMHSA-N -1 1 288.319 2.971 20 0 CFADMM COCc1ncc(C(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000354217740 381146305 /nfs/dbraw/zinc/14/63/05/381146305.db2.gz MHADFYISAAATKG-UHFFFAOYSA-N -1 1 298.751 2.901 20 0 CFADMM CC[C@](C)(CCO)NC(=O)c1ccc2ccccc2c1[O-] ZINC000182780330 381156618 /nfs/dbraw/zinc/15/66/18/381156618.db2.gz LDJXUYYRUKWXHJ-QGZVFWFLSA-N -1 1 287.359 2.826 20 0 CFADMM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1cnn[nH]1 ZINC000347472967 381174458 /nfs/dbraw/zinc/17/44/58/381174458.db2.gz SSYQVXKVUZSMBD-SNVBAGLBSA-N -1 1 298.268 2.537 20 0 CFADMM CCc1nnc([N-]C(=O)c2ccoc2C(F)(F)F)s1 ZINC000289903808 381211921 /nfs/dbraw/zinc/21/19/21/381211921.db2.gz TTYPIQULMYUWOK-UHFFFAOYSA-N -1 1 291.254 2.965 20 0 CFADMM O=c1[n-]c(CN[C@H](c2cccc(F)c2)C2CCCC2)n[nH]1 ZINC000342234786 381228641 /nfs/dbraw/zinc/22/86/41/381228641.db2.gz SPPJAKLFFUVVSH-AWEZNQCLSA-N -1 1 290.342 2.671 20 0 CFADMM CO[C@H](C)c1nc(=NCC2(C(F)(F)F)CCC2)s[n-]1 ZINC000343952912 220278988 /nfs/dbraw/zinc/27/89/88/220278988.db2.gz DBHYXMKFDIDKGS-SSDOTTSWSA-N -1 1 295.330 2.812 20 0 CFADMM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(C2CC2)ccn1 ZINC000290205400 381340809 /nfs/dbraw/zinc/34/08/09/381340809.db2.gz WJHDTEODBATWDS-ZDUSSCGKSA-N -1 1 277.324 2.539 20 0 CFADMM O=C([N-]O[C@H]1CCCCO1)Nc1cc(C2CC2)ccn1 ZINC000290205400 381340816 /nfs/dbraw/zinc/34/08/16/381340816.db2.gz WJHDTEODBATWDS-ZDUSSCGKSA-N -1 1 277.324 2.539 20 0 CFADMM CCCNc1ccccc1NC(=O)c1cncc([O-])c1 ZINC000354627517 381371431 /nfs/dbraw/zinc/37/14/31/381371431.db2.gz RAMYYOAXQNLZJH-UHFFFAOYSA-N -1 1 271.320 2.861 20 0 CFADMM COc1ccc(-c2nc(C3CC(F)(F)C3)no2)c([O-])c1 ZINC000296472153 381411952 /nfs/dbraw/zinc/41/19/52/381411952.db2.gz ONEAULUGWLURNZ-UHFFFAOYSA-N -1 1 282.246 2.964 20 0 CFADMM Cc1oc2ccccc2c1CCNC(=O)c1cncc([O-])c1 ZINC000354712134 381416108 /nfs/dbraw/zinc/41/61/08/381416108.db2.gz SOBMFTBORZCWNJ-UHFFFAOYSA-N -1 1 296.326 2.814 20 0 CFADMM O=C(Nc1cccc2c1OCCC2)c1ccc(O)cc1[O-] ZINC000370494580 381457400 /nfs/dbraw/zinc/45/74/00/381457400.db2.gz GPXROEKOAYEBKO-UHFFFAOYSA-N -1 1 285.299 2.675 20 0 CFADMM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000412822244 381462551 /nfs/dbraw/zinc/46/25/51/381462551.db2.gz LKDIIRWQOGHYJQ-OLZOCXBDSA-N -1 1 262.353 2.732 20 0 CFADMM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000412831187 381465302 /nfs/dbraw/zinc/46/53/02/381465302.db2.gz VYVRGOCTZZMTFQ-ZIAGYGMSSA-N -1 1 289.375 2.906 20 0 CFADMM CC=C(CC)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000290582186 381487499 /nfs/dbraw/zinc/48/74/99/381487499.db2.gz SSJCTSBLZMSFFI-RUDMXATFSA-N -1 1 260.297 2.668 20 0 CFADMM COc1ccc(C)cc1CS(=O)(=O)c1ccc([O-])cc1 ZINC000049489194 412948172 /nfs/dbraw/zinc/94/81/72/412948172.db2.gz FJQRLSPTZWKCAO-UHFFFAOYSA-N -1 1 292.356 2.683 20 0 CFADMM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ncccc1[O-] ZINC000296763913 381531407 /nfs/dbraw/zinc/53/14/07/381531407.db2.gz CXBKDWCDCVPEJL-RKDXNWHRSA-N -1 1 288.269 2.590 20 0 CFADMM C[C@@H]1C[C@@H]1CC(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000355029831 381572717 /nfs/dbraw/zinc/57/27/17/381572717.db2.gz VTLBDYRFVXFLHL-RKDXNWHRSA-N -1 1 291.301 2.761 20 0 CFADMM CC(C)N(C)c1ccccc1CNC(=O)c1cncc([O-])c1 ZINC000355043644 381581869 /nfs/dbraw/zinc/58/18/69/381581869.db2.gz QFHWXZPWDXSECL-UHFFFAOYSA-N -1 1 299.374 2.562 20 0 CFADMM CC1(CC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000359802845 381618485 /nfs/dbraw/zinc/61/84/85/381618485.db2.gz MDNQCMIBZLWPAB-UHFFFAOYSA-N -1 1 293.310 2.572 20 0 CFADMM O=S(=O)(Cc1ccccc1)[N-]c1cc(C2CC2)ccn1 ZINC000290988425 381621515 /nfs/dbraw/zinc/62/15/15/381621515.db2.gz STJJCAYDCQMKKD-UHFFFAOYSA-N -1 1 288.372 2.901 20 0 CFADMM O=C(NC[C@H](c1ccccc1)C1CC1)c1cncc([O-])c1 ZINC000348567774 381639021 /nfs/dbraw/zinc/63/90/21/381639021.db2.gz FCNJNYMUMMZZEW-MRXNPFEDSA-N -1 1 282.343 2.711 20 0 CFADMM CC(C)OCCCC(=O)Nc1c([O-])cccc1F ZINC000680218180 542288812 /nfs/dbraw/zinc/28/88/12/542288812.db2.gz XGHFXNLVDUDGDG-UHFFFAOYSA-N -1 1 255.289 2.675 20 0 CFADMM C[C@@H]1CSCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000298591404 381681888 /nfs/dbraw/zinc/68/18/88/381681888.db2.gz RTGKPKQNIHUIMR-VIFPVBQESA-N -1 1 295.433 2.582 20 0 CFADMM Cc1ccc([C@@H](NC(=O)c2cncc([O-])c2)C2CC2)cc1 ZINC000348749677 381694037 /nfs/dbraw/zinc/69/40/37/381694037.db2.gz LJMMRMSBCFQKET-MRXNPFEDSA-N -1 1 282.343 2.977 20 0 CFADMM Cc1cc(C)cc(CN(C)C(=O)c2cncc([O-])c2)c1 ZINC000355233928 381695271 /nfs/dbraw/zinc/69/52/71/381695271.db2.gz GKOBNGXWVMNELF-UHFFFAOYSA-N -1 1 270.332 2.676 20 0 CFADMM CC(C)=CCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000360025046 381735488 /nfs/dbraw/zinc/73/54/88/381735488.db2.gz QZHILEWZJUAZAM-UHFFFAOYSA-N -1 1 293.310 2.739 20 0 CFADMM C[C@@H](CCCC(F)(F)F)NC(=O)c1cncc([O-])c1 ZINC000355307307 381740876 /nfs/dbraw/zinc/74/08/76/381740876.db2.gz JOYDUJUROUKIEE-QMMMGPOBSA-N -1 1 276.258 2.638 20 0 CFADMM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1ncccc1[O-] ZINC000343558627 381796083 /nfs/dbraw/zinc/79/60/83/381796083.db2.gz BRDOSDXJRGKSHJ-ZIAGYGMSSA-N -1 1 282.343 2.853 20 0 CFADMM Cc1ccc(NS(=O)(=O)c2ccsc2)c(C(=O)[O-])c1 ZINC000349103075 381822371 /nfs/dbraw/zinc/82/23/71/381822371.db2.gz BAZIOCWRMOIJOG-UHFFFAOYSA-N -1 1 297.357 2.556 20 0 CFADMM CN(C)Cc1cnc(/C=C\c2ncc(C(=O)[O-])s2)s1 ZINC000349105201 381823621 /nfs/dbraw/zinc/82/36/21/381823621.db2.gz GLWBLYYVLOWJTO-ARJAWSKDSA-N -1 1 295.389 2.530 20 0 CFADMM CC(C)c1nnc([N-]C(=O)c2noc3c2CCCC3)s1 ZINC000299119548 381830213 /nfs/dbraw/zinc/83/02/13/381830213.db2.gz KRDUCVTYDOHVJX-UHFFFAOYSA-N -1 1 292.364 2.781 20 0 CFADMM Cc1cnc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)c([O-])c1 ZINC000356633806 381857005 /nfs/dbraw/zinc/85/70/05/381857005.db2.gz OUSSKBAGVLSDBR-WOPDTQHZSA-N -1 1 262.353 2.602 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)[C@@H](CC)CC(C)C)[n-]1 ZINC000415629425 381864861 /nfs/dbraw/zinc/86/48/61/381864861.db2.gz LIGFELVWAOEJRS-JTQLQIEISA-N -1 1 281.356 2.597 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](CC)CC(C)C)n1 ZINC000415629425 381864863 /nfs/dbraw/zinc/86/48/63/381864863.db2.gz LIGFELVWAOEJRS-JTQLQIEISA-N -1 1 281.356 2.597 20 0 CFADMM CC[C@]1(C)C[C@@H]1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000343646348 381866673 /nfs/dbraw/zinc/86/66/73/381866673.db2.gz YVSMDSJZYQCDBX-YMTOWFKASA-N -1 1 275.377 2.935 20 0 CFADMM CC[C@]1(C)C[C@H]1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000343646345 381866771 /nfs/dbraw/zinc/86/67/71/381866771.db2.gz YVSMDSJZYQCDBX-LKFCYVNXSA-N -1 1 275.377 2.935 20 0 CFADMM CCCc1cc(=O)[n-]c(SC[C@H](CC)OC)n1 ZINC000416888786 381960287 /nfs/dbraw/zinc/96/02/87/381960287.db2.gz QKJJIWSVNZXLPN-JTQLQIEISA-N -1 1 256.371 2.652 20 0 CFADMM CO[C@@H](CSc1nc(C)c(C)c(=O)[n-]1)CC(C)C ZINC000416902445 381964763 /nfs/dbraw/zinc/96/47/63/381964763.db2.gz DLTIQBYTGZDUHC-LLVKDONJSA-N -1 1 270.398 2.952 20 0 CFADMM CCSc1cccc(F)c1[N-]C(=O)c1cncnc1 ZINC000362184872 381948775 /nfs/dbraw/zinc/94/87/75/381948775.db2.gz JUMIKDPXZQPFRX-UHFFFAOYSA-N -1 1 277.324 2.980 20 0 CFADMM Cn1cncc1-c1nc2cc(Cl)c(Cl)cc2c(=O)[n-]1 ZINC000362332000 382011981 /nfs/dbraw/zinc/01/19/81/382011981.db2.gz FSZBHFVVXJOLJU-UHFFFAOYSA-N -1 1 295.129 2.630 20 0 CFADMM CCOc1cc(C(=O)N[C@H]2CC[C@H]2C)cc(Cl)c1[O-] ZINC000343995814 382055378 /nfs/dbraw/zinc/05/53/78/382055378.db2.gz XHXOLDLALLWLAR-KCJUWKMLSA-N -1 1 283.755 2.973 20 0 CFADMM CCOc1cc(C(=O)N[C@H]2CC[C@@H]2C)cc(Cl)c1[O-] ZINC000343995815 382055498 /nfs/dbraw/zinc/05/54/98/382055498.db2.gz XHXOLDLALLWLAR-KWQFWETISA-N -1 1 283.755 2.973 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N3CCCC[C@H](C)C3)cnc2n1 ZINC000187107307 382102101 /nfs/dbraw/zinc/10/21/01/382102101.db2.gz VKHKCVNVFMPZBP-NSHDSACASA-N -1 1 299.374 2.906 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCCC[C@H](C)C1)c2=O ZINC000187107307 382102106 /nfs/dbraw/zinc/10/21/06/382102106.db2.gz VKHKCVNVFMPZBP-NSHDSACASA-N -1 1 299.374 2.906 20 0 CFADMM O=C([N-]c1nnc(-c2ccco2)s1)c1cncs1 ZINC000344067946 382105349 /nfs/dbraw/zinc/10/53/49/382105349.db2.gz SRBBGPJDVUAPKI-UHFFFAOYSA-N -1 1 278.318 2.507 20 0 CFADMM C[C@@H](F)CCN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000351995701 382114897 /nfs/dbraw/zinc/11/48/97/382114897.db2.gz RFTGGCGPHDTOBW-MRVPVSSYSA-N -1 1 269.345 2.577 20 0 CFADMM CC[C@@]1(CO)CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000187185538 382124867 /nfs/dbraw/zinc/12/48/67/382124867.db2.gz HLRPZSJFBKJYBC-OAHLLOKOSA-N -1 1 297.782 2.670 20 0 CFADMM COc1cc(C(=O)NCCC2(C)CC2)cc(Cl)c1[O-] ZINC000352126876 382183878 /nfs/dbraw/zinc/18/38/78/382183878.db2.gz YOFQNQMVYPAWQE-UHFFFAOYSA-N -1 1 283.755 2.974 20 0 CFADMM CCSc1nnc([N-]C(=O)c2cc(C3CC3)on2)s1 ZINC000344121656 382143260 /nfs/dbraw/zinc/14/32/60/382143260.db2.gz SHIDZSNCVUXVIZ-UHFFFAOYSA-N -1 1 296.377 2.768 20 0 CFADMM Cc1nc(-c2ccc(NCC(C)C)nc2)[n-]c(=O)c1C ZINC000301333459 382151543 /nfs/dbraw/zinc/15/15/43/382151543.db2.gz CAOXWYPYVWWSHN-UHFFFAOYSA-N -1 1 272.352 2.929 20 0 CFADMM CC[C@H](N=c1nc([C@@H](C)OC)[n-]s1)[C@@H]1CC1(C)C ZINC000419006399 382213683 /nfs/dbraw/zinc/21/36/83/382213683.db2.gz WESHPKAVOBCIGA-UTLUCORTSA-N -1 1 269.414 2.904 20 0 CFADMM COC(=O)c1c[n-]c(SCc2ccc(C)cc2)n1 ZINC000187597654 382222215 /nfs/dbraw/zinc/22/22/15/382222215.db2.gz KWEAHXWUJKPHKK-UHFFFAOYSA-N -1 1 262.334 2.797 20 0 CFADMM CCCCCNC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000357561680 382227034 /nfs/dbraw/zinc/22/70/34/382227034.db2.gz XAEOLWPLGNLRHZ-UHFFFAOYSA-N -1 1 273.336 2.564 20 0 CFADMM CCCCCNC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000357561680 382227039 /nfs/dbraw/zinc/22/70/39/382227039.db2.gz XAEOLWPLGNLRHZ-UHFFFAOYSA-N -1 1 273.336 2.564 20 0 CFADMM CO[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CC[C@H]1C ZINC000187832497 382278986 /nfs/dbraw/zinc/27/89/86/382278986.db2.gz HXHDSGIGCFUWIP-RNCFNFMXSA-N -1 1 283.755 2.543 20 0 CFADMM O=C(Cc1ccc(Br)s1)[N-]OCC1CC1 ZINC000293730887 382254740 /nfs/dbraw/zinc/25/47/40/382254740.db2.gz HQZOVTBDJNRMJP-UHFFFAOYSA-N -1 1 290.182 2.511 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](O)C12CCCC2 ZINC000293830501 382295824 /nfs/dbraw/zinc/29/58/24/382295824.db2.gz DSQXJPAWYFUGHO-CYBMUJFWSA-N -1 1 295.766 2.565 20 0 CFADMM Cc1nc(SCCCc2ccncc2)[n-]c(=O)c1C ZINC000357738656 382300363 /nfs/dbraw/zinc/30/03/63/382300363.db2.gz ZCZNMNLNPRYRJO-UHFFFAOYSA-N -1 1 275.377 2.919 20 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CCCc1nc(C(=O)[N-]c2nnc(SCC)s2)co1 ZINC000337756564 382862040 /nfs/dbraw/zinc/86/20/40/382862040.db2.gz MCDYEUVJLVTVLR-UHFFFAOYSA-N -1 1 298.393 2.843 20 0 CFADMM CC(C)(C)CC[N-]S(=O)(=O)c1cccc(F)c1F ZINC000337817764 382868439 /nfs/dbraw/zinc/86/84/39/382868439.db2.gz RXVLYRJQUTVMHN-UHFFFAOYSA-N -1 1 277.336 2.679 20 0 CFADMM CO[C@@H](C)c1nc(=N[C@H]2CC23CCCCC3)s[n-]1 ZINC000337889067 382872804 /nfs/dbraw/zinc/87/28/04/382872804.db2.gz ZYOQVLVTNBZTSE-UWVGGRQHSA-N -1 1 267.398 2.802 20 0 CFADMM COC1(c2noc(-c3ccc([O-])cc3F)n2)CCCC1 ZINC000234679973 382874489 /nfs/dbraw/zinc/87/44/89/382874489.db2.gz SRTCYDWPFXYUDJ-UHFFFAOYSA-N -1 1 278.283 2.997 20 0 CFADMM CO[C@@H](C)c1nc(=NC[C@H]2CCC(F)(F)C2)s[n-]1 ZINC000337944751 382876042 /nfs/dbraw/zinc/87/60/42/382876042.db2.gz JXTPCWSJJYCVTK-YUMQZZPRSA-N -1 1 277.340 2.515 20 0 CFADMM CO[C@@H](C)c1nc(=NC[C@H]2CCCC(F)(F)C2)s[n-]1 ZINC000337944847 382876056 /nfs/dbraw/zinc/87/60/56/382876056.db2.gz UIMZNHWOTIXHMH-IUCAKERBSA-N -1 1 291.367 2.905 20 0 CFADMM C[C@@]1(c2ccccc2)C[N@H+](Cc2ncccc2O)CCO1 ZINC000578002140 382881191 /nfs/dbraw/zinc/88/11/91/382881191.db2.gz HCNALTZDJDWKJQ-KRWDZBQOSA-N -1 1 284.359 2.535 20 0 CFADMM CSc1n[nH]c(NC(=O)C2CCC(C(C)C)CC2)n1 ZINC000338051142 382912068 /nfs/dbraw/zinc/91/20/68/382912068.db2.gz PRYVRAPRHXAKTR-UHFFFAOYSA-N -1 1 282.413 2.928 20 0 CFADMM Cc1cnc(C(=O)NCc2nccc3ccccc32)c([O-])c1 ZINC000494909202 382939695 /nfs/dbraw/zinc/93/96/95/382939695.db2.gz MEPOILQGDBEZCW-UHFFFAOYSA-N -1 1 293.326 2.574 20 0 CFADMM COc1cc(C(=O)N(C)Cc2ccc[nH]2)cc(Cl)c1[O-] ZINC000442667844 382942428 /nfs/dbraw/zinc/94/24/28/382942428.db2.gz BAGOCFLGAXYMOK-UHFFFAOYSA-N -1 1 294.738 2.655 20 0 CFADMM COc1cc(C(=O)NCCC(F)(F)F)cc(Cl)c1[O-] ZINC000442670196 382942439 /nfs/dbraw/zinc/94/24/39/382942439.db2.gz IOEQRBFZWAETJH-UHFFFAOYSA-N -1 1 297.660 2.736 20 0 CFADMM C[C@@H]1CCN(Cc2csc(C3CC3)n2)C[C@H]1C(=O)[O-] ZINC000578866891 382962174 /nfs/dbraw/zinc/96/21/74/382962174.db2.gz BNCDJNNSMIAKIY-BXKDBHETSA-N -1 1 280.393 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O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1cc(F)ccc1[O-] ZINC000436599344 383849790 /nfs/dbraw/zinc/84/97/90/383849790.db2.gz AQFMNXNCPVBEGI-IAOVAPTHSA-N -1 1 297.329 2.990 20 0 CFADMM COCCN(C(=O)c1ccc([O-])cc1F)[C@@H]1CC[C@@H](C)C1 ZINC000436594155 383850476 /nfs/dbraw/zinc/85/04/76/383850476.db2.gz HWHNXQOHZCILBB-VXGBXAGGSA-N -1 1 295.354 2.809 20 0 CFADMM C[C@@H]1N(C(=O)c2ccc(Cl)cc2[O-])CCOC1(C)C ZINC000436593792 383850925 /nfs/dbraw/zinc/85/09/25/383850925.db2.gz CKBMLCUQXOLPPG-VIFPVBQESA-N -1 1 283.755 2.685 20 0 CFADMM CSc1nc(CNC(=O)[C@@H](C)CC(C)(C)C)cc(=O)[n-]1 ZINC000640655834 383880097 /nfs/dbraw/zinc/88/00/97/383880097.db2.gz KNLSXNRZLUNXSU-VIFPVBQESA-N -1 1 297.424 2.593 20 0 CFADMM O=C(N[C@@H](CO)C1CCCC1)c1cc2ccccc2cc1[O-] ZINC000436614165 383855111 /nfs/dbraw/zinc/85/51/11/383855111.db2.gz ZLBYVFDGQXKDJJ-INIZCTEOSA-N -1 1 299.370 2.826 20 0 CFADMM Cc1c(NC(=O)c2ccc(O)cc2[O-])cnn1CC(C)C ZINC000436627885 383856944 /nfs/dbraw/zinc/85/69/44/383856944.db2.gz 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/nfs/dbraw/zinc/90/19/08/383901908.db2.gz XIVJBYLDUOFXSJ-VIFPVBQESA-N -1 1 293.417 2.560 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(C)nc2ccccc21 ZINC000646410645 383988931 /nfs/dbraw/zinc/98/89/31/383988931.db2.gz QMPBJZWMXJDXMB-UHFFFAOYSA-N -1 1 282.303 2.533 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000646410844 383989774 /nfs/dbraw/zinc/98/97/74/383989774.db2.gz ZYLXECLZCXXJEI-SSDOTTSWSA-N -1 1 291.376 2.862 20 0 CFADMM CCN(CC)c1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC000646411294 383991029 /nfs/dbraw/zinc/99/10/29/383991029.db2.gz AHXOSFSZLSNMHV-UHFFFAOYSA-N -1 1 288.351 2.522 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000646411840 383991095 /nfs/dbraw/zinc/99/10/95/383991095.db2.gz UXNLLKGVPJDVQO-UHFFFAOYSA-N -1 1 282.303 2.671 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](Cc1ccccc1)C(C)C ZINC000646413374 383991307 /nfs/dbraw/zinc/99/13/07/383991307.db2.gz WVBCDJWHPDWMKQ-CYBMUJFWSA-N -1 1 287.363 2.877 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000646411823 383991470 /nfs/dbraw/zinc/99/14/70/383991470.db2.gz TVHPFKXSQQQYQY-GFCCVEGCSA-N -1 1 285.347 2.872 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000646411824 383991661 /nfs/dbraw/zinc/99/16/61/383991661.db2.gz TVHPFKXSQQQYQY-LBPRGKRZSA-N -1 1 285.347 2.872 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CC1CC(c2ccccc2)C1 ZINC000646413216 383991782 /nfs/dbraw/zinc/99/17/82/383991782.db2.gz VMPKRPTYFYEXMG-UHFFFAOYSA-N -1 1 285.347 2.946 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CC1(C)CCCCC1 ZINC000646413144 383991826 /nfs/dbraw/zinc/99/18/26/383991826.db2.gz QLRGXPWVSRACRS-UHFFFAOYSA-N -1 1 251.330 2.723 20 0 CFADMM CC(C)OCCCN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000265825643 384010287 /nfs/dbraw/zinc/01/02/87/384010287.db2.gz XTDJEZHOZNSCTF-UHFFFAOYSA-N -1 1 285.771 2.933 20 0 CFADMM Cc1csc(Cc2n[n-]c(=NC(C)(C)C)n2C2CC2)n1 ZINC000573929142 384015736 /nfs/dbraw/zinc/01/57/36/384015736.db2.gz UNTSTAAVLZHSIH-UHFFFAOYSA-N -1 1 291.424 2.601 20 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CFADMM [O-]c1ccc(-c2noc(COCC3CC3)n2)cc1F ZINC000277904018 384436282 /nfs/dbraw/zinc/43/62/82/384436282.db2.gz DSZGSRAGJQDTOQ-UHFFFAOYSA-N -1 1 264.256 2.508 20 0 CFADMM CCC(CC)(CC)NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000349747359 220295739 /nfs/dbraw/zinc/29/57/39/220295739.db2.gz RTIBPJYCNVXISZ-UHFFFAOYSA-N -1 1 281.425 2.838 20 0 CFADMM [O-]c1ccc(-c2noc([C@@H]3CCOC3)n2)c(Cl)c1 ZINC000278228037 384504633 /nfs/dbraw/zinc/50/46/33/384504633.db2.gz RLYYKTPPERVMPG-SSDOTTSWSA-N -1 1 266.684 2.600 20 0 CFADMM COCC(C)(C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278274662 384515491 /nfs/dbraw/zinc/51/54/91/384515491.db2.gz VVCQMODWSSUIHA-UHFFFAOYSA-N -1 1 266.272 2.505 20 0 CFADMM CC(C)(C)[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCO1 ZINC000279424376 384634046 /nfs/dbraw/zinc/63/40/46/384634046.db2.gz TZVAKGWMRKOYBC-CYBMUJFWSA-N -1 1 297.782 2.933 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1coc(C2CC2)n1 ZINC000680848812 542373698 /nfs/dbraw/zinc/37/36/98/542373698.db2.gz SETHDUPIGJPTER-UHFFFAOYSA-N -1 1 262.240 2.649 20 0 CFADMM CCC[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000680975218 542393400 /nfs/dbraw/zinc/39/34/00/542393400.db2.gz VITCTAIUTLPVDV-QMMMGPOBSA-N -1 1 279.764 2.946 20 0 CFADMM O=S(=O)([N-]c1cc(F)ccc1O)C1=CCCCC1 ZINC000281154153 195126471 /nfs/dbraw/zinc/12/64/71/195126471.db2.gz LBVIACATODZSRY-UHFFFAOYSA-N -1 1 271.313 2.731 20 0 CFADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC(C2CC2)C1 ZINC000644685477 384998923 /nfs/dbraw/zinc/99/89/23/384998923.db2.gz GMFOMFRBOZLPIY-UHFFFAOYSA-N -1 1 285.265 2.893 20 0 CFADMM CC1=C(C(=O)Nc2ccc(F)cc2[O-])CCCO1 ZINC000270322696 385054837 /nfs/dbraw/zinc/05/48/37/385054837.db2.gz GKEYIOIAAFWYFD-UHFFFAOYSA-N -1 1 251.257 2.554 20 0 CFADMM COCCC1CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000644762916 385043346 /nfs/dbraw/zinc/04/33/46/385043346.db2.gz OKADSMUOMIHZOE-UHFFFAOYSA-N -1 1 285.343 2.654 20 0 CFADMM O=C(NC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc([O-])cc1 ZINC000280675004 385108839 /nfs/dbraw/zinc/10/88/39/385108839.db2.gz BYIRRWXYTPJOSR-UHFFFAOYSA-N -1 1 299.370 2.660 20 0 CFADMM Cn1[n-]cc2/c(=N\C(=O)CCCCC(C)(C)C)ccnc1-2 ZINC000289173367 197252454 /nfs/dbraw/zinc/25/24/54/197252454.db2.gz FNKXUFNNVMACFU-UYRXBGFRSA-N -1 1 288.395 2.887 20 0 CFADMM CC[C@](C)(OC)c1nc(-c2ccc([O-])cc2F)no1 ZINC000289189083 197257807 /nfs/dbraw/zinc/25/78/07/197257807.db2.gz XBLYZORRKMGDER-ZDUSSCGKSA-N -1 1 266.272 2.853 20 0 CFADMM CCOC[C@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000280841871 385175653 /nfs/dbraw/zinc/17/56/53/385175653.db2.gz VDFJSEKSJFCEPJ-JTQLQIEISA-N -1 1 299.317 2.559 20 0 CFADMM CCc1cc(CNCc2cccc([O-])c2Cl)on1 ZINC000645157481 385217945 /nfs/dbraw/zinc/21/79/45/385217945.db2.gz OCRPKPIAVQDNPX-UHFFFAOYSA-N -1 1 266.728 2.886 20 0 CFADMM CC(C)CONC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000282582353 385345160 /nfs/dbraw/zinc/34/51/60/385345160.db2.gz CWSABGQOUNFXNZ-UHFFFAOYSA-N -1 1 294.738 2.911 20 0 CFADMM COC(=O)c1c[n-]c(SCCSC(C)(C)C)n1 ZINC000282702256 385373271 /nfs/dbraw/zinc/37/32/71/385373271.db2.gz TVKMXFCAHWYUKF-UHFFFAOYSA-N -1 1 274.411 2.820 20 0 CFADMM C[C@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681014157 542398597 /nfs/dbraw/zinc/39/85/97/542398597.db2.gz CNOKHPVCHULWNO-JOYOIKCWSA-N -1 1 251.301 2.840 20 0 CFADMM CC[C@@H](C(=O)Nc1cc(C(C)=O)ccc1[O-])N(CC)CC ZINC000272295531 385501838 /nfs/dbraw/zinc/50/18/38/385501838.db2.gz WNTXPKCSYAXQEQ-AWEZNQCLSA-N -1 1 292.379 2.654 20 0 CFADMM CN1c2ccccc2C(=O)N[C@@H]1c1cccc([O-])c1Cl ZINC000639406563 385520475 /nfs/dbraw/zinc/52/04/75/385520475.db2.gz XLBNELOBKGYWDO-AWEZNQCLSA-N -1 1 288.734 2.924 20 0 CFADMM CCC1CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681018447 542399867 /nfs/dbraw/zinc/39/98/67/542399867.db2.gz CLEWBWUDDBGELM-UHFFFAOYSA-N -1 1 251.301 2.794 20 0 CFADMM CCOC1(C(=O)Nc2nc(Cl)ccc2[O-])CCCC1 ZINC000286504913 385636637 /nfs/dbraw/zinc/63/66/37/385636637.db2.gz NUWSQPPAWOCPTL-UHFFFAOYSA-N -1 1 284.743 2.728 20 0 CFADMM CC[C@@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681017808 542400582 /nfs/dbraw/zinc/40/05/82/542400582.db2.gz COFJFWHMUIMXNY-SNVBAGLBSA-N -1 1 251.301 2.794 20 0 CFADMM O=C(Nc1cccc(-n2ccnc2)c1)c1ccc([O-])c(F)c1 ZINC000681018326 542400596 /nfs/dbraw/zinc/40/05/96/542400596.db2.gz CEGGSLORBBLQIL-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCC1(C)C ZINC000287029260 385766569 /nfs/dbraw/zinc/76/65/69/385766569.db2.gz IFJPPZHKJQJFFP-JTQLQIEISA-N -1 1 291.395 2.707 20 0 CFADMM CCc1nc(CN(C)C(=O)c2ccc([O-])c(F)c2)cs1 ZINC000681022651 542400834 /nfs/dbraw/zinc/40/08/34/542400834.db2.gz QPOPVGJHMTZXDQ-UHFFFAOYSA-N -1 1 294.351 2.822 20 0 CFADMM CCn1cc([N-]c2nc(CC(C)C)ns2)cn1 ZINC000274578867 385827447 /nfs/dbraw/zinc/82/74/47/385827447.db2.gz GMRQZNNBPDDSEN-UHFFFAOYSA-N -1 1 251.359 2.697 20 0 CFADMM Cc1sc(C(=O)[O-])cc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000122753063 413009741 /nfs/dbraw/zinc/00/97/41/413009741.db2.gz XSCLVKIUJLXHRU-QWHCGFSZSA-N -1 1 295.404 2.898 20 0 CFADMM CC(C)Cc1nnc(NC(=O)c2ccc([O-])c(F)c2)s1 ZINC000681022035 542401311 /nfs/dbraw/zinc/40/13/11/542401311.db2.gz WWVQYQCUPYMOAQ-UHFFFAOYSA-N -1 1 295.339 2.834 20 0 CFADMM C[C@@H](c1ccncc1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681032569 542401988 /nfs/dbraw/zinc/40/19/88/542401988.db2.gz CDXONDLLFSCNQH-JTQLQIEISA-N -1 1 274.295 2.760 20 0 CFADMM CC1(C)CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681047041 542402077 /nfs/dbraw/zinc/40/20/77/542402077.db2.gz SUXXGICFSUHTTG-UHFFFAOYSA-N -1 1 251.301 2.794 20 0 CFADMM O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccc([O-])c(F)c1 ZINC000681032807 542402606 /nfs/dbraw/zinc/40/26/06/542402606.db2.gz QVEMFWKYNSAJHY-OCCSQVGLSA-N -1 1 289.281 2.956 20 0 CFADMM CC(C)Cn1ccnc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681040135 542403228 /nfs/dbraw/zinc/40/32/28/542403228.db2.gz YTADPAWRHAWYEY-UHFFFAOYSA-N -1 1 277.299 2.636 20 0 CFADMM Cc1noc(C)c1[C@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681046288 542403732 /nfs/dbraw/zinc/40/37/32/542403732.db2.gz GHOQCUNRCJQDRT-ZETCQYMHSA-N -1 1 278.283 2.627 20 0 CFADMM CC1(CNC(=O)c2ccc([O-])c(F)c2)CCCC1 ZINC000681043523 542403806 /nfs/dbraw/zinc/40/38/06/542403806.db2.gz ASXSWVNOWNMEGT-UHFFFAOYSA-N 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QYDHJZFYBAWCNY-UHFFFAOYSA-N -1 1 252.270 2.549 20 0 CFADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc([O-])c(F)c1 ZINC000681063577 542406613 /nfs/dbraw/zinc/40/66/13/542406613.db2.gz BTJQXHGKZHGIBW-GXSJLCMTSA-N -1 1 251.301 2.934 20 0 CFADMM C[C@@H](CN(C)C(=O)c1ccc([O-])c(F)c1)c1nccs1 ZINC000681069745 542407224 /nfs/dbraw/zinc/40/72/24/542407224.db2.gz JYNWGUZTCDLOJO-VIFPVBQESA-N -1 1 294.351 2.864 20 0 CFADMM Cc1ccncc1[C@H](C)NC(=O)c1c([O-])cccc1F ZINC000681239577 542430218 /nfs/dbraw/zinc/43/02/18/542430218.db2.gz DRVTVMVZMUBPMU-JTQLQIEISA-N -1 1 274.295 2.726 20 0 CFADMM Cc1[nH]nc(C(=O)Nc2cccc(C(C)(F)F)c2)c1[O-] ZINC000682012769 542505281 /nfs/dbraw/zinc/50/52/81/542505281.db2.gz QBDQAHUAJPTRBO-UHFFFAOYSA-N -1 1 281.262 2.788 20 0 CFADMM C[C@@H]1CCN(Cc2nc(C(C)(C)C)cs2)C[C@@H]1C(=O)[O-] ZINC000517741290 260014301 /nfs/dbraw/zinc/01/43/01/260014301.db2.gz HDXZERZBIMZUOM-MNOVXSKESA-N -1 1 296.436 2.983 20 0 CFADMM CC1(C)CCC[C@](O)(CNC(=O)c2ccc([O-])c(F)c2)C1 ZINC000682171647 542532610 /nfs/dbraw/zinc/53/26/10/542532610.db2.gz FPIDHHDRIRCYPQ-MRXNPFEDSA-N -1 1 295.354 2.592 20 0 CFADMM CO[C@@H]1CCC[C@H](C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000824295192 781989716 /nfs/dbraw/zinc/98/97/16/781989716.db2.gz PDPIAZLWFWIRRU-DTWKUNHWSA-N -1 1 285.290 2.814 20 0 CFADMM CO[C@@H](C)[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000191465160 533354071 /nfs/dbraw/zinc/35/40/71/533354071.db2.gz BEEWMWULMPQKKY-YUMQZZPRSA-N -1 1 291.269 2.564 20 0 CFADMM CCC(CC)[C@H](C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000341784807 130045902 /nfs/dbraw/zinc/04/59/02/130045902.db2.gz SPAWDGJBNYDGAD-LURJTMIESA-N -1 1 278.278 2.834 20 0 CFADMM O=c1cc(CSC[C@@H]2CCCO2)c2ccc([O-])cc2o1 ZINC000191765597 130297853 /nfs/dbraw/zinc/29/78/53/130297853.db2.gz DLDHCPIKOFMLGQ-LBPRGKRZSA-N -1 1 292.356 2.911 20 0 CFADMM C[C@@H]1CCC[C@@H](CNC(=O)c2cncc([O-])c2)[C@H]1C ZINC000355628965 130325446 /nfs/dbraw/zinc/32/54/46/130325446.db2.gz OMQHKYRTACGQJE-WOPDTQHZSA-N -1 1 262.353 2.589 20 0 CFADMM O=C(N[C@H]1C[C@@H]1c1ccc(Cl)cc1)c1cncc([O-])c1 ZINC000355685105 130335398 /nfs/dbraw/zinc/33/53/98/130335398.db2.gz QSOBPJXPYTXVIG-KGLIPLIRSA-N -1 1 288.734 2.727 20 0 CFADMM O=C([O-])c1csc(CNCc2cccc3cnccc32)n1 ZINC000683171181 542648817 /nfs/dbraw/zinc/64/88/17/542648817.db2.gz GELKLJSQDCWFGP-UHFFFAOYSA-N -1 1 299.355 2.679 20 0 CFADMM C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@H]1C ZINC000253551335 131143567 /nfs/dbraw/zinc/14/35/67/131143567.db2.gz PLVNFSBLMFUZRI-BDAKNGLRSA-N -1 1 263.366 2.627 20 0 CFADMM O=C([N-]c1nc(-c2cccs2)ns1)c1nccs1 ZINC000683567680 542700534 /nfs/dbraw/zinc/70/05/34/542700534.db2.gz RSTUHXQEDITSMI-UHFFFAOYSA-N -1 1 294.386 2.975 20 0 CFADMM CCc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1 ZINC000268494392 132017183 /nfs/dbraw/zinc/01/71/83/132017183.db2.gz PUZPCCMSLJRYFV-UHFFFAOYSA-N -1 1 291.376 2.650 20 0 CFADMM O=C(CSC[C@H]1CCCCO1)Nc1ccc(F)cc1[O-] ZINC000269032334 132101635 /nfs/dbraw/zinc/10/16/35/132101635.db2.gz MSJGIQCMMXFDHN-LLVKDONJSA-N -1 1 299.367 2.772 20 0 CFADMM Cc1ccc(NC(=O)C2=C([O-])C(C)N=N2)cc1OC(C)C ZINC000683881926 542736393 /nfs/dbraw/zinc/73/63/93/542736393.db2.gz XCQAHIOLTTWSME-UHFFFAOYSA-N -1 1 289.335 2.772 20 0 CFADMM CN(CCCC(=O)[O-])Cc1ncc(-c2ccccc2)o1 ZINC000042718179 393554893 /nfs/dbraw/zinc/55/48/93/393554893.db2.gz IRHYITQHVZTRLI-UHFFFAOYSA-N -1 1 274.320 2.638 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1Cc2ccc(F)cc21 ZINC000684470026 542814817 /nfs/dbraw/zinc/81/48/17/542814817.db2.gz JTMINMQPYYFCDW-LBPRGKRZSA-N -1 1 275.254 2.949 20 0 CFADMM O=C(Cc1ccc2c[nH]nc2c1)Nc1c([O-])cccc1F ZINC000684471558 542815397 /nfs/dbraw/zinc/81/53/97/542815397.db2.gz VEOZLJFZRYXDLC-UHFFFAOYSA-N -1 1 285.278 2.589 20 0 CFADMM COCc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000048654393 393592251 /nfs/dbraw/zinc/59/22/51/393592251.db2.gz BTFOATGWEDNVBC-UHFFFAOYSA-N -1 1 291.372 2.942 20 0 CFADMM CC[C@H](C(=O)[O-])N1CCc2sc(Cl)cc2C1 ZINC000335422656 393667317 /nfs/dbraw/zinc/66/73/17/393667317.db2.gz HDXYNJFIUHDATC-MRVPVSSYSA-N -1 1 259.758 2.623 20 0 CFADMM CC(C)c1cc(NC(=O)c2cc(F)ccc2[O-])n[nH]1 ZINC000081957577 393737902 /nfs/dbraw/zinc/73/79/02/393737902.db2.gz MKWAFXVJACGLIZ-UHFFFAOYSA-N -1 1 263.272 2.630 20 0 CFADMM CS[C@H]1CCC[C@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000081959636 393739120 /nfs/dbraw/zinc/73/91/20/393739120.db2.gz AQSKNILNHAMISS-QWRGUYRKSA-N -1 1 283.368 2.935 20 0 CFADMM C[C@]1(c2ccccc2)CCN(C(=O)c2ncccc2[O-])C1 ZINC000336540869 393740011 /nfs/dbraw/zinc/74/00/11/393740011.db2.gz PJKNIMRDADMHNV-KRWDZBQOSA-N -1 1 282.343 2.591 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)OC(C)(C)C)n1 ZINC000084219049 393747612 /nfs/dbraw/zinc/74/76/12/393747612.db2.gz KBGIHEZEDDXBOB-VIFPVBQESA-N -1 1 298.408 2.957 20 0 CFADMM O=C(Nc1ccc2cc[nH]c2c1)c1ccc(O)cc1[O-] ZINC000194819163 393718180 /nfs/dbraw/zinc/71/81/80/393718180.db2.gz QKDXJTXKTWNBMS-UHFFFAOYSA-N -1 1 268.272 2.831 20 0 CFADMM COc1ccccc1CN(C)C(=O)c1cc(F)ccc1[O-] ZINC000080000554 393723176 /nfs/dbraw/zinc/72/31/76/393723176.db2.gz MKFGMFBHJYWIES-UHFFFAOYSA-N -1 1 289.306 2.812 20 0 CFADMM CCc1onc(C)c1NC(=O)c1cc(F)ccc1[O-] ZINC000091696597 393785448 /nfs/dbraw/zinc/78/54/48/393785448.db2.gz MULYQYUIIOZJIR-UHFFFAOYSA-N -1 1 264.256 2.642 20 0 CFADMM O=C(NCC1(CCO)CCCCC1)c1cc(F)ccc1[O-] ZINC000092602431 393790159 /nfs/dbraw/zinc/79/01/59/393790159.db2.gz FWYIDAZKLXLTEJ-UHFFFAOYSA-N -1 1 295.354 2.594 20 0 CFADMM CC1(NC(=O)c2ccc(Br)cc2[O-])CCC1 ZINC000093246204 393797491 /nfs/dbraw/zinc/79/74/91/393797491.db2.gz PSWMILXMUDUJHJ-UHFFFAOYSA-N -1 1 284.153 2.827 20 0 CFADMM CC(C)([N-]S(=O)(=O)Cc1ccccc1Cl)C(F)F ZINC000684597345 542834148 /nfs/dbraw/zinc/83/41/48/542834148.db2.gz JIYWQAYYRXCBEI-UHFFFAOYSA-N -1 1 297.754 2.803 20 0 CFADMM O=C(NC[C@@H]1CCC(F)(F)C1)c1ccc([O-])c(F)c1 ZINC000684757789 542850131 /nfs/dbraw/zinc/85/01/31/542850131.db2.gz MLVMFMLIEGDCIQ-MRVPVSSYSA-N -1 1 273.254 2.697 20 0 CFADMM CC[C@H](C[N-]S(=O)(=O)c1ccc(C)o1)CC(F)(F)F ZINC000416586671 393932034 /nfs/dbraw/zinc/93/20/34/393932034.db2.gz CRUVDEDLPHAPJV-VIFPVBQESA-N -1 1 299.314 2.845 20 0 CFADMM Cc1nnc(N(C)C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436812487 394022996 /nfs/dbraw/zinc/02/29/96/394022996.db2.gz DUUYHUUKKPBEGR-UHFFFAOYSA-N -1 1 299.355 2.982 20 0 CFADMM COCc1ccc(CN[C@](C)(CCC(C)C)C(=O)[O-])o1 ZINC000417532951 393971864 /nfs/dbraw/zinc/97/18/64/393971864.db2.gz LTENYGXSAPXPGE-OAHLLOKOSA-N -1 1 283.368 2.795 20 0 CFADMM Cc1cc(C)nc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000123788078 393987213 /nfs/dbraw/zinc/98/72/13/393987213.db2.gz JVVNBVYQILEFQM-UHFFFAOYSA-N -1 1 260.268 2.795 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1noc2c1CCCC2 ZINC000269076823 394002403 /nfs/dbraw/zinc/00/24/03/394002403.db2.gz VEKCBJOKRUZQMY-UHFFFAOYSA-N -1 1 276.267 2.650 20 0 CFADMM O=C(NC/C=C\c1ccccc1)c1c([O-])cccc1F ZINC000436956037 394038848 /nfs/dbraw/zinc/03/88/48/394038848.db2.gz KKKHNRNVUZLRDF-YVMONPNESA-N -1 1 271.291 2.975 20 0 CFADMM O=C(Nc1ccc2c(c1)CCCO2)C(=O)c1ccc([O-])cc1 ZINC000436968496 394039443 /nfs/dbraw/zinc/03/94/43/394039443.db2.gz VQXIDDCVMUVKPW-UHFFFAOYSA-N -1 1 297.310 2.539 20 0 CFADMM Cc1ccc(C[C@H](C)N(C)C(=O)c2ncccc2[O-])cc1 ZINC000127429919 394050216 /nfs/dbraw/zinc/05/02/16/394050216.db2.gz SEGLSUYHBVLQGV-ZDUSSCGKSA-N -1 1 284.359 2.799 20 0 CFADMM CCS[C@@H]1CCC[C@H]1NC(=O)c1c([O-])cccc1F ZINC000128088929 394062999 /nfs/dbraw/zinc/06/29/99/394062999.db2.gz FDGPUXCNCHOEQG-ZYHUDNBSSA-N -1 1 283.368 2.935 20 0 CFADMM CC[C@@H](c1ccncc1)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000438916532 394087010 /nfs/dbraw/zinc/08/70/10/394087010.db2.gz KBSODXFFOXKZIX-HNNXBMFYSA-N -1 1 298.342 2.580 20 0 CFADMM C[C@@]1(NC(=O)c2ccc(Cl)cc2[O-])CCO[C@H]1C1CC1 ZINC000436861386 394029843 /nfs/dbraw/zinc/02/98/43/394029843.db2.gz UEWHDKZRYPHUHW-DZGCQCFKSA-N -1 1 295.766 2.733 20 0 CFADMM CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc([O-])cc1F ZINC000436874113 394030937 /nfs/dbraw/zinc/03/09/37/394030937.db2.gz YYGOURJFVVHQQC-ZDUSSCGKSA-N -1 1 295.354 2.953 20 0 CFADMM C[C@@H]1CC[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)C[C@@H]1C ZINC000436895921 394033023 /nfs/dbraw/zinc/03/30/23/394033023.db2.gz KNQBVQZUHHBNPK-NTZNESFSSA-N -1 1 275.348 2.516 20 0 CFADMM O=C(N[C@H](CO)c1ccsc1)c1ccc(Cl)cc1[O-] ZINC000436918803 394033825 /nfs/dbraw/zinc/03/38/25/394033825.db2.gz KHUXVUWXNJWSOE-LLVKDONJSA-N -1 1 297.763 2.571 20 0 CFADMM CC[C@@H](C)n1[nH]c(=NC(=O)c2ccc([O-])c(C)c2)cc1C ZINC000436939723 394037269 /nfs/dbraw/zinc/03/72/69/394037269.db2.gz QEIYOUBGEKGICT-LLVKDONJSA-N -1 1 287.363 2.851 20 0 CFADMM O=C(c1csc(=NC2CC2)[n-]1)N(CC1CC1)C1CCC1 ZINC000358431087 394108669 /nfs/dbraw/zinc/10/86/69/394108669.db2.gz UFQQVALAYKCJSE-UHFFFAOYSA-N -1 1 291.420 2.544 20 0 CFADMM COc1cc(C)cc(CNC(=O)c2c([O-])cccc2F)c1 ZINC000130569263 394114069 /nfs/dbraw/zinc/11/40/69/394114069.db2.gz FZJDVCKRSJBCHN-UHFFFAOYSA-N -1 1 289.306 2.778 20 0 CFADMM CC(C)N1CC[C@H](N=c2nc(C3CCCC3)[n-]s2)C1 ZINC000420583327 394120229 /nfs/dbraw/zinc/12/02/29/394120229.db2.gz KNZOPQYDKMSEGK-LBPRGKRZSA-N -1 1 280.441 2.512 20 0 CFADMM Cc1cnc(-c2nc(=O)c3c(C(C)C)csc3[n-]2)nc1 ZINC000133683147 394180240 /nfs/dbraw/zinc/18/02/40/394180240.db2.gz KISHSXRYGNLVCT-UHFFFAOYSA-N -1 1 286.360 2.873 20 0 CFADMM CCN(Cc1ccncc1)C(=O)c1cc(F)ccc1[O-] ZINC000132870552 394164472 /nfs/dbraw/zinc/16/44/72/394164472.db2.gz IDJNXLBGBVLGKW-UHFFFAOYSA-N -1 1 274.295 2.589 20 0 CFADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000132914102 394165726 /nfs/dbraw/zinc/16/57/26/394165726.db2.gz BVFIXROQDFGLTG-UHFFFAOYSA-N -1 1 289.356 2.826 20 0 CFADMM COc1cc(C(=O)NC[C@H](C)SC)cc(Cl)c1[O-] ZINC000135218444 394212715 /nfs/dbraw/zinc/21/27/15/394212715.db2.gz AEIGJLCCPSVAHP-ZETCQYMHSA-N -1 1 289.784 2.536 20 0 CFADMM Cc1ccccc1CNC(=O)c1cc(F)ccc1[O-] ZINC000149010871 394248401 /nfs/dbraw/zinc/24/84/01/394248401.db2.gz WQPFZAAXLXKZPD-UHFFFAOYSA-N -1 1 259.280 2.770 20 0 CFADMM O=S(=O)([N-][C@H]1CCCSC1)c1cc2ccccc2o1 ZINC000150836184 394254949 /nfs/dbraw/zinc/25/49/49/394254949.db2.gz UHIZPQZCEGHJCM-NSHDSACASA-N -1 1 297.401 2.607 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@H](C)c2csnn2)n1 ZINC000450627386 394302344 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/nfs/dbraw/zinc/42/95/11/394429511.db2.gz SERXRPKDYXVVJU-UHFFFAOYSA-N -1 1 263.366 2.935 20 0 CFADMM O=C(CC1CC(F)(F)C1)Nc1cccc(F)c1[O-] ZINC000530005727 394441794 /nfs/dbraw/zinc/44/17/94/394441794.db2.gz MLQSAELJNYOMFM-UHFFFAOYSA-N -1 1 259.227 2.905 20 0 CFADMM CCC[C@H](CN=c1nc(C(F)(F)F)[n-]s1)OCC ZINC000528087279 394445661 /nfs/dbraw/zinc/44/56/61/394445661.db2.gz UDVSBXXUCVTPDT-SSDOTTSWSA-N -1 1 283.319 2.596 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1c1ccccn1 ZINC000538743442 394614213 /nfs/dbraw/zinc/61/42/13/394614213.db2.gz FCNCWEJOBZAULL-CQSZACIVSA-N -1 1 286.306 2.904 20 0 CFADMM O=S(=O)(CCC1CC1)[N-]c1cc(-c2ccccc2)[nH]n1 ZINC000547273604 394856835 /nfs/dbraw/zinc/85/68/35/394856835.db2.gz HFKJNWAFUUOROS-UHFFFAOYSA-N -1 1 291.376 2.619 20 0 CFADMM C[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)CCC1(F)F ZINC000685889209 542954830 /nfs/dbraw/zinc/95/48/30/542954830.db2.gz ISGKTBCCKMOFBQ-MRVPVSSYSA-N -1 1 273.254 2.649 20 0 CFADMM Cc1cccc(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1O ZINC000533879410 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20 0 CFADMM CCN(CCC(=O)[O-])Cc1coc(-c2ccc(F)cc2)n1 ZINC000038024254 174006736 /nfs/dbraw/zinc/00/67/36/174006736.db2.gz GUFQNWHPODMPGE-UHFFFAOYSA-N -1 1 292.310 2.777 20 0 CFADMM CCN(CCC(=O)[O-])Cc1ncc(-c2ccccc2)o1 ZINC000038024163 174006978 /nfs/dbraw/zinc/00/69/78/174006978.db2.gz IRXSYITYEURKRJ-UHFFFAOYSA-N -1 1 274.320 2.638 20 0 CFADMM O=S(=O)([N-]c1cccc2n[nH]cc21)c1ccc(F)cc1 ZINC000038053139 174064625 /nfs/dbraw/zinc/06/46/25/174064625.db2.gz YCTFNHRBWJXGID-UHFFFAOYSA-N -1 1 291.307 2.503 20 0 CFADMM O=C([O-])CCN(Cc1nc2ccccc2s1)C1CC1 ZINC000038090479 174103731 /nfs/dbraw/zinc/10/37/31/174103731.db2.gz XWYXRCJQWODKJD-UHFFFAOYSA-N -1 1 276.361 2.735 20 0 CFADMM CC1(C)CC([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000660129072 414667431 /nfs/dbraw/zinc/66/74/31/414667431.db2.gz SQYAYRDICCGJHP-UHFFFAOYSA-N -1 1 291.775 2.946 20 0 CFADMM CC(C)(C[N-]S(=O)(=O)c1ccco1)CC(F)(F)F ZINC000660197969 414679779 /nfs/dbraw/zinc/67/97/79/414679779.db2.gz LESASJBDOPNONN-UHFFFAOYSA-N -1 1 285.287 2.537 20 0 CFADMM COCCCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000044317898 175163450 /nfs/dbraw/zinc/16/34/50/175163450.db2.gz NDQOJTCTMUMUJB-UHFFFAOYSA-N -1 1 273.332 2.702 20 0 CFADMM CC(C)[C@H]1CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000071029350 176022222 /nfs/dbraw/zinc/02/22/22/176022222.db2.gz GXTKAOSOSIIEBH-LBPRGKRZSA-N -1 1 262.353 2.686 20 0 CFADMM CSc1ncc(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc1C ZINC001243160590 782023433 /nfs/dbraw/zinc/02/34/33/782023433.db2.gz WCOYZSLUSZZDEN-UHFFFAOYSA-N -1 1 298.367 2.591 20 0 CFADMM CCC[C@H](CC)NC(=O)c1c[nH]c2ccccc2c1=O ZINC000195331564 270252682 /nfs/dbraw/zinc/25/26/82/270252682.db2.gz FNDZIIVJTVUJLG-NSHDSACASA-N -1 1 272.348 2.837 20 0 CFADMM CCc1onc(C)c1NC(=O)c1ccc(OC)cc1[O-] ZINC000089395423 260143251 /nfs/dbraw/zinc/14/32/51/260143251.db2.gz OQCCMTYTQCBYAY-UHFFFAOYSA-N -1 1 276.292 2.512 20 0 CFADMM CC1(C)COC[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000313031993 260239624 /nfs/dbraw/zinc/23/96/24/260239624.db2.gz JBOPLKFTPCHKHM-OAHLLOKOSA-N -1 1 285.343 2.700 20 0 CFADMM Cc1cccc(CN(C)[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000518200718 260355551 /nfs/dbraw/zinc/35/55/51/260355551.db2.gz NGCOYZBZSMDKQO-MRXNPFEDSA-N -1 1 284.359 2.518 20 0 CFADMM Cc1c(CNC(=O)c2ccc3ccccc3c2[O-])cnn1C ZINC000090476133 260361145 /nfs/dbraw/zinc/36/11/45/260361145.db2.gz DLNMIBFMFTXWEA-UHFFFAOYSA-N -1 1 295.342 2.517 20 0 CFADMM Cc1cc(CNC(=O)c2ccc3ccccc3c2[O-])n(C)n1 ZINC000390366860 262184191 /nfs/dbraw/zinc/18/41/91/262184191.db2.gz OJRNDISUOUZUII-UHFFFAOYSA-N -1 1 295.342 2.517 20 0 CFADMM CC(C)Oc1ncccc1NC(=O)c1cc(F)ccc1[O-] ZINC000094015472 265208830 /nfs/dbraw/zinc/20/88/30/265208830.db2.gz MAFNRXRIMUHBPT-UHFFFAOYSA-N -1 1 290.294 2.966 20 0 CFADMM CCC1(CNC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000226841222 270257027 /nfs/dbraw/zinc/25/70/27/270257027.db2.gz KWUVVSSOKJGWPK-UHFFFAOYSA-N -1 1 253.729 2.966 20 0 CFADMM CCc1cc(=O)[n-]c(SCc2cccc(OC)c2)n1 ZINC000041626595 270226894 /nfs/dbraw/zinc/22/68/94/270226894.db2.gz WOHIWNQYNTZAGH-UHFFFAOYSA-N -1 1 276.361 2.633 20 0 CFADMM Cn1ccc(CNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000223628831 270255761 /nfs/dbraw/zinc/25/57/61/270255761.db2.gz OUFHGQNXGCICFS-UHFFFAOYSA-N -1 1 280.327 2.814 20 0 CFADMM CC1(CNC(=O)c2ccc(Cl)cc2[O-])CCC1 ZINC000226841458 270256988 /nfs/dbraw/zinc/25/69/88/270256988.db2.gz RMZHWTXZHKJUJQ-UHFFFAOYSA-N -1 1 253.729 2.966 20 0 CFADMM CO[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[O-])C1(C)C ZINC000227813947 270257970 /nfs/dbraw/zinc/25/79/70/270257970.db2.gz JFHADDMXVXQEOX-NWDGAFQWSA-N -1 1 283.755 2.589 20 0 CFADMM CCN(CC1CCC1)C(=O)c1ccc([O-])cc1F ZINC000232386266 270261288 /nfs/dbraw/zinc/26/12/88/270261288.db2.gz OHRRLQWOOUGHDL-UHFFFAOYSA-N -1 1 251.301 2.794 20 0 CFADMM O=C(N[C@H](C1CC1)C1CCC1)c1ccc([O-])cc1F ZINC000325219373 270298823 /nfs/dbraw/zinc/29/88/23/270298823.db2.gz PUGBIZDZDMIARC-AWEZNQCLSA-N -1 1 263.312 2.840 20 0 CFADMM C[C@@H]1CC[C@@H](CNC(=O)c2cc3ccccc3cc2[O-])O1 ZINC000398058879 270321120 /nfs/dbraw/zinc/32/11/20/270321120.db2.gz JLEWWGJABXRZDZ-RISCZKNCSA-N -1 1 285.343 2.843 20 0 CFADMM CC(C)[C@@](C)(CO)NC(=O)c1ccc2ccccc2c1[O-] ZINC000398598654 270323370 /nfs/dbraw/zinc/32/33/70/270323370.db2.gz XVVDYCPZBHWKSY-QGZVFWFLSA-N -1 1 287.359 2.682 20 0 CFADMM CCc1nc(SCCc2cncs2)[n-]c(=O)c1C ZINC000517042221 270396711 /nfs/dbraw/zinc/39/67/11/270396711.db2.gz NXQLAPLASCSADX-UHFFFAOYSA-N -1 1 281.406 2.844 20 0 CFADMM CCN(CCC1CC1)C(=O)c1c(F)ccc([O-])c1F ZINC000517058561 270396725 /nfs/dbraw/zinc/39/67/25/270396725.db2.gz LJEVYNCFIYGVBL-UHFFFAOYSA-N -1 1 269.291 2.933 20 0 CFADMM COCc1nc(=NCC[C@@H]2CCCC2(C)C)s[n-]1 ZINC000528067103 270579905 /nfs/dbraw/zinc/57/99/05/270579905.db2.gz GLQZPCCSRWZZCJ-JTQLQIEISA-N -1 1 269.414 2.735 20 0 CFADMM C[C@@H](C(=O)Nc1cccc(F)c1[O-])C1CCOCC1 ZINC000530005215 270741674 /nfs/dbraw/zinc/74/16/74/270741674.db2.gz IUPIATDICJUNOK-SECBINFHSA-N -1 1 267.300 2.533 20 0 CFADMM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000334087678 278323988 /nfs/dbraw/zinc/32/39/88/278323988.db2.gz RJPMTUMHQUKNJH-FZMZJTMJSA-N -1 1 289.375 2.906 20 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2.964 20 0 CFADMM CC1CCC(N(C)C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000074272601 280500649 /nfs/dbraw/zinc/50/06/49/280500649.db2.gz SJULFTBAFIPECD-UHFFFAOYSA-N -1 1 299.374 2.986 20 0 CFADMM CN(Cc1ccccc1F)C(=O)c1cc(F)ccc1[O-] ZINC000081944250 280546332 /nfs/dbraw/zinc/54/63/32/280546332.db2.gz YVWRXJXLDVTGIZ-UHFFFAOYSA-N -1 1 277.270 2.943 20 0 CFADMM CC(C)C[C@H](CO)NC(=O)c1cc2ccccc2cc1[O-] ZINC000093245168 280575197 /nfs/dbraw/zinc/57/51/97/280575197.db2.gz ZSZMMCGHMUIJDS-CQSZACIVSA-N -1 1 287.359 2.682 20 0 CFADMM CN(CCc1nccs1)C(=O)c1ccc(Cl)cc1[O-] ZINC000122024263 280624749 /nfs/dbraw/zinc/62/47/49/280624749.db2.gz SUUUWGSFOWANEZ-UHFFFAOYSA-N -1 1 296.779 2.817 20 0 CFADMM Cc1cccc2c1N(C(=O)c1ccccc1[O-])CC2 ZINC000125434441 280643437 /nfs/dbraw/zinc/64/34/37/280643437.db2.gz RHPXWNFEZSFRDT-UHFFFAOYSA-N -1 1 253.301 2.904 20 0 CFADMM COc1cc(F)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000132876160 280736834 /nfs/dbraw/zinc/73/68/34/280736834.db2.gz PDRLDXLMGYOCPK-UHFFFAOYSA-N -1 1 279.242 2.931 20 0 CFADMM COc1ccc(OC)c(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000132860367 280736879 /nfs/dbraw/zinc/73/68/79/280736879.db2.gz FEYINHXBKNBMMZ-UHFFFAOYSA-N -1 1 291.278 2.801 20 0 CFADMM COc1cc(C(=O)N2CCC[C@@H]2C)cc(Cl)c1[O-] ZINC000135153062 280767996 /nfs/dbraw/zinc/76/79/96/280767996.db2.gz QOLPCZMJCCZUBZ-QMMMGPOBSA-N -1 1 269.728 2.679 20 0 CFADMM CC1(/C=C\C(=O)Nc2ccc([O-])c(F)c2F)CCOCC1 ZINC000493598325 280846981 /nfs/dbraw/zinc/84/69/81/280846981.db2.gz XYFDCFIYBMZONL-PLNGDYQASA-N -1 1 297.301 2.982 20 0 CFADMM O=C(/C=C\Sc1ccccc1)[N-]O[C@H]1CCCCO1 ZINC000255073038 281086072 /nfs/dbraw/zinc/08/60/72/281086072.db2.gz LZVZPNRVYIHQRB-FPAJZGIOSA-N -1 1 279.361 2.867 20 0 CFADMM O=C(/C=C\c1ccc(Cl)s1)[N-]O[C@H]1CCCCO1 ZINC000255288615 281092013 /nfs/dbraw/zinc/09/20/13/281092013.db2.gz OAXHHNZTZSXTSC-HWPRWLFBSA-N -1 1 287.768 2.989 20 0 CFADMM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)[N-]O[C@H]2CCCCO2)o1 ZINC000255380707 281096185 /nfs/dbraw/zinc/09/61/85/281096185.db2.gz MSKNEWIPHSKWCD-SKXPQJMUSA-N -1 1 291.347 2.991 20 0 CFADMM CC(C)(C)[C@H](CO)NC(=O)c1ccc2ccccc2c1[O-] ZINC000393940935 281194183 /nfs/dbraw/zinc/19/41/83/281194183.db2.gz YLYWBAWSXQTMIM-AWEZNQCLSA-N -1 1 287.359 2.682 20 0 CFADMM CC[C@H]1CN(C(=O)c2ccc([O-])cc2F)C[C@H](CC)O1 ZINC000398765582 281209588 /nfs/dbraw/zinc/20/95/88/281209588.db2.gz GPTFOSXDVYHLOT-RYUDHWBXSA-N -1 1 281.327 2.561 20 0 CFADMM Cc1cccc(Oc2ncccc2[N-]S(C)(=O)=O)c1C ZINC000515694490 281296774 /nfs/dbraw/zinc/29/67/74/281296774.db2.gz ZUTIRYAJDDCSCX-UHFFFAOYSA-N -1 1 292.360 2.862 20 0 CFADMM Cc1cnc(C(=O)N[C@H](c2ccccn2)C2CCC2)c([O-])c1 ZINC000529832033 281421881 /nfs/dbraw/zinc/42/18/81/281421881.db2.gz SYSKJLAWQVIAJY-HNNXBMFYSA-N -1 1 297.358 2.762 20 0 CFADMM CSc1ccc(NC(=O)c2ccccc2[O-])cn1 ZINC000537687670 281542405 /nfs/dbraw/zinc/54/24/05/281542405.db2.gz OOJJXBMMIPZQBI-UHFFFAOYSA-N -1 1 260.318 2.761 20 0 CFADMM Cc1cnc(C(=O)N2Cc3ccccc3C[C@@H]2C)c([O-])c1 ZINC000427504801 281574076 /nfs/dbraw/zinc/57/40/76/281574076.db2.gz FDWBXCHMPSINHT-LBPRGKRZSA-N -1 1 282.343 2.683 20 0 CFADMM CN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H]1CCC(C)(C)C1 ZINC000336143600 281705899 /nfs/dbraw/zinc/70/58/99/281705899.db2.gz AZMORJJEBOTZKH-GFCCVEGCSA-N -1 1 275.348 2.612 20 0 CFADMM O=S(=O)([N-]C[C@@H]1CC12CC2)c1cc2cc(F)ccc2o1 ZINC000561110636 282047215 /nfs/dbraw/zinc/04/72/15/282047215.db2.gz VBSUZEZUVCWNEL-JTQLQIEISA-N -1 1 295.335 2.650 20 0 CFADMM Cc1ccccc1[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000373964735 292706863 /nfs/dbraw/zinc/70/68/63/292706863.db2.gz ZYHOSJMQIQIKFI-MGCOHNPYSA-N -1 1 257.255 2.920 20 0 CFADMM CCC[C@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000152403500 289846352 /nfs/dbraw/zinc/84/63/52/289846352.db2.gz FSLPZGDFZFPEDN-LBPRGKRZSA-N -1 1 299.374 2.575 20 0 CFADMM Cc1cc(C(=O)Nc2ccncc2[O-])cc(C)c1F ZINC000153837122 289878056 /nfs/dbraw/zinc/87/80/56/289878056.db2.gz ITBLQXPPRYAMQY-UHFFFAOYSA-N -1 1 260.268 2.795 20 0 CFADMM Cc1conc1[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000154526880 289897442 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/nfs/dbraw/zinc/09/73/28/525097328.db2.gz ICKZQXSDOKNVCC-JVXZTZIISA-N -1 1 293.273 2.622 20 0 CFADMM C[C@H](NC(=O)c1ncccc1[O-])c1ccccc1Cl ZINC000049512108 525271762 /nfs/dbraw/zinc/27/17/62/525271762.db2.gz JFJPXBGTIURSIT-VIFPVBQESA-N -1 1 276.723 2.932 20 0 CFADMM Cc1ccn2cc(C(=O)Nc3ccc(F)cc3[O-])nc2c1 ZINC000340332157 525615095 /nfs/dbraw/zinc/61/50/95/525615095.db2.gz KPIVTURALVMBRB-UHFFFAOYSA-N -1 1 285.278 2.740 20 0 CFADMM CSc1cc(C)ccc1CNC(=O)c1ncccc1[O-] ZINC000340878034 525940267 /nfs/dbraw/zinc/94/02/67/525940267.db2.gz LJXILXCHAUZAFU-UHFFFAOYSA-N -1 1 288.372 2.748 20 0 CFADMM C[C@H](C(=O)[O-])N(C)Cc1ccc(C(C)(C)C)s1 ZINC000166279648 526181251 /nfs/dbraw/zinc/18/12/51/526181251.db2.gz RFHFKCDQPQHMFI-SECBINFHSA-N -1 1 255.383 2.951 20 0 CFADMM C[C@H]1CC(CNC(=O)c2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000334086713 526227325 /nfs/dbraw/zinc/22/73/25/526227325.db2.gz DYOLOJRDOZBRFL-UWVGGRQHSA-N -1 1 297.782 2.979 20 0 CFADMM O=C([O-])c1ccc(CNCc2ccnn2C2CCCC2)cc1 ZINC000263385519 526368977 /nfs/dbraw/zinc/36/89/77/526368977.db2.gz CTXYYWKNXSDVBZ-UHFFFAOYSA-N -1 1 299.374 2.986 20 0 CFADMM Cc1nc(-c2ccc(NC3CCC3)nc2)[n-]c(=O)c1C ZINC000361021831 526577782 /nfs/dbraw/zinc/57/77/82/526577782.db2.gz HWOOLOWOIMAXKS-UHFFFAOYSA-N -1 1 270.336 2.825 20 0 CFADMM O=C(NCc1ccc(C2CC2)cc1)c1cncc([O-])c1 ZINC000191783208 526654702 /nfs/dbraw/zinc/65/47/02/526654702.db2.gz OXJWBCDAHRQZEF-UHFFFAOYSA-N -1 1 268.316 2.595 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@]2(CCOC2)C1 ZINC000335068133 526678952 /nfs/dbraw/zinc/67/89/52/526678952.db2.gz LKJZJYPMXZODCA-OAHLLOKOSA-N -1 1 295.766 2.688 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H]([C@H]2CCOC2)C1 ZINC000336395547 526679376 /nfs/dbraw/zinc/67/93/76/526679376.db2.gz YAPATSNNWTYUJR-QWRGUYRKSA-N -1 1 295.766 2.544 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](CCO)CC1 ZINC000335028221 526679565 /nfs/dbraw/zinc/67/95/65/526679565.db2.gz HMKLHRMEEBWKPU-LLVKDONJSA-N -1 1 297.782 2.670 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC(OC2CCC2)CC1 ZINC000334902802 526703885 /nfs/dbraw/zinc/70/38/85/526703885.db2.gz ISLRQJWCNOHYMR-UHFFFAOYSA-N -1 1 293.338 2.705 20 0 CFADMM O=C(c1ccccc1[O-])N1CCc2cc(F)ccc21 ZINC000336377156 526808480 /nfs/dbraw/zinc/80/84/80/526808480.db2.gz OBZJBHDYADRRGB-UHFFFAOYSA-N -1 1 257.264 2.734 20 0 CFADMM O=C(c1ccccc1[O-])N1CCc2cccc(F)c21 ZINC000334817039 526808991 /nfs/dbraw/zinc/80/89/91/526808991.db2.gz REKFPYAHUPEBTO-UHFFFAOYSA-N -1 1 257.264 2.734 20 0 CFADMM CC(=O)c1[n-]c(=N[C@H](C)c2cccnc2)sc1C ZINC000413028419 527155350 /nfs/dbraw/zinc/15/53/50/527155350.db2.gz PDRFSBRMHWSTAK-MRVPVSSYSA-N -1 1 261.350 2.644 20 0 CFADMM CC(=O)c1[n-]c(=N[C@@H](C)c2cncc(F)c2)sc1C ZINC000413387505 527155653 /nfs/dbraw/zinc/15/56/53/527155653.db2.gz OBOQIGKYLPNWCH-ZETCQYMHSA-N -1 1 279.340 2.783 20 0 CFADMM O=C(Nc1nc2c(cccc2Cl)[nH]1)c1cncc([O-])c1 ZINC000339912768 527515809 /nfs/dbraw/zinc/51/58/09/527515809.db2.gz LXFWQYMTIVMMRI-UHFFFAOYSA-N -1 1 288.694 2.569 20 0 CFADMM CC(C)C1(C[N-]S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000175831641 527615376 /nfs/dbraw/zinc/61/53/76/527615376.db2.gz AQWGAKWNNHZUBS-UHFFFAOYSA-N -1 1 289.347 2.679 20 0 CFADMM O=C([O-])Cc1ccccc1CNCc1cc(F)ccc1F ZINC000167642937 527639920 /nfs/dbraw/zinc/63/99/20/527639920.db2.gz CKVNFZLCJSJJLE-UHFFFAOYSA-N -1 1 291.297 2.882 20 0 CFADMM CCN(CC(C)C)C(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000135787846 527962886 /nfs/dbraw/zinc/96/28/86/527962886.db2.gz QYIJVODELVOFBV-UHFFFAOYSA-N -1 1 287.363 2.762 20 0 CFADMM CCN(CC(C)C)C(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000135787846 527962888 /nfs/dbraw/zinc/96/28/88/527962888.db2.gz QYIJVODELVOFBV-UHFFFAOYSA-N -1 1 287.363 2.762 20 0 CFADMM CC(C)N(CC(=O)[O-])Cc1cc2cc(F)ccc2o1 ZINC000414667119 528862483 /nfs/dbraw/zinc/86/24/83/528862483.db2.gz WCYXVWSLSCNKTD-UHFFFAOYSA-N -1 1 265.284 2.867 20 0 CFADMM CCN(C(=O)c1ncc(C)cc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000426773438 529103748 /nfs/dbraw/zinc/10/37/48/529103748.db2.gz PHJKDNBGTOVALG-GFCCVEGCSA-N -1 1 292.379 2.515 20 0 CFADMM CC[C@H](C)[C@@](C)(O)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000156859155 529231331 /nfs/dbraw/zinc/23/13/31/529231331.db2.gz JIJSGAPYUGMOTC-XPTSAGLGSA-N -1 1 285.771 2.573 20 0 CFADMM CC[C@@H]1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000153165969 529326404 /nfs/dbraw/zinc/32/64/04/529326404.db2.gz GIJFNVMJJHPPAJ-LLVKDONJSA-N -1 1 285.347 2.516 20 0 CFADMM CC[C@@H]1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000153165969 529326408 /nfs/dbraw/zinc/32/64/08/529326408.db2.gz GIJFNVMJJHPPAJ-LLVKDONJSA-N -1 1 285.347 2.516 20 0 CFADMM CCCOCc1ccccc1C[N-]C(=O)C(F)(F)F ZINC000263736741 535236973 /nfs/dbraw/zinc/23/69/73/535236973.db2.gz ZKXKMBZCHIRIDG-UHFFFAOYSA-N -1 1 275.270 2.792 20 0 CFADMM CCCc1nc(=Nc2cc3cn[nH]c3cc2C)s[n-]1 ZINC000461949211 535479066 /nfs/dbraw/zinc/47/90/66/535479066.db2.gz QACMLDAVTSGAPP-UHFFFAOYSA-N -1 1 273.365 2.841 20 0 CFADMM CCCCCC[C@@H](C)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000736448489 574054807 /nfs/dbraw/zinc/05/48/07/574054807.db2.gz YUCMZMRZLWOITC-GFCCVEGCSA-N -1 1 293.415 2.512 20 0 CFADMM CCCCCC[C@@H](CC)C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000736444581 574055201 /nfs/dbraw/zinc/05/52/01/574055201.db2.gz HLUFYHVKJTUFEF-QWHCGFSZSA-N -1 1 295.431 2.758 20 0 CFADMM O=C(NCCCC1CC1)c1c([O-])cccc1Cl ZINC000736694869 574067073 /nfs/dbraw/zinc/06/70/73/574067073.db2.gz ITMAEHJJKJVCQJ-UHFFFAOYSA-N -1 1 253.729 2.966 20 0 CFADMM O=C(N[C@H]1CC=CCC1)c1c([O-])cccc1Cl ZINC000736711008 574067813 /nfs/dbraw/zinc/06/78/13/574067813.db2.gz QYKUMUYEKNYLTC-VIFPVBQESA-N -1 1 251.713 2.884 20 0 CFADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)CC ZINC000738622293 574076567 /nfs/dbraw/zinc/07/65/67/574076567.db2.gz KZYFEXYYXBZOFI-NSHDSACASA-N -1 1 299.392 2.794 20 0 CFADMM Cc1[nH]nc(C(=O)Nc2ccc(SC(F)F)cc2)c1[O-] ZINC000750808918 574077415 /nfs/dbraw/zinc/07/74/15/574077415.db2.gz BWVWFLFXYOXRCO-UHFFFAOYSA-N -1 1 299.302 2.991 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2occc2C)c1 ZINC000744520681 574079021 /nfs/dbraw/zinc/07/90/21/574079021.db2.gz IRNVGURSUGFYCG-UHFFFAOYSA-N -1 1 288.299 2.896 20 0 CFADMM CC[C@H](C)c1ccc(NC(=O)CNC(C)(C)C(=O)[O-])cc1 ZINC000736891006 574083794 /nfs/dbraw/zinc/08/37/94/574083794.db2.gz KCUJGMUZPDNUKL-NSHDSACASA-N -1 1 292.379 2.591 20 0 CFADMM CCc1nc(CNC(=O)c2c([O-])cccc2Cl)cs1 ZINC000730841878 574099798 /nfs/dbraw/zinc/09/97/98/574099798.db2.gz PYAJODFIDIPQJT-UHFFFAOYSA-N -1 1 296.779 2.995 20 0 CFADMM CN(C[C@H]1CCCOC1)C(=O)c1c([O-])cccc1Cl ZINC000730843309 574099918 /nfs/dbraw/zinc/09/99/18/574099918.db2.gz TUCBYNVQUKDMMI-SNVBAGLBSA-N -1 1 283.755 2.544 20 0 CFADMM CCc1[nH]ncc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000737248420 574121135 /nfs/dbraw/zinc/12/11/35/574121135.db2.gz ZLEZUEKULYCHQJ-UHFFFAOYSA-N -1 1 293.710 2.576 20 0 CFADMM CCc1[nH]ncc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737247393 574121153 /nfs/dbraw/zinc/12/11/53/574121153.db2.gz INHOFRJEMNCHFF-UHFFFAOYSA-N -1 1 293.710 2.576 20 0 CFADMM Cc1ccccc1C[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000737428215 574140313 /nfs/dbraw/zinc/14/03/13/574140313.db2.gz VAODAFQPYMLEBT-GFCCVEGCSA-N -1 1 294.362 2.613 20 0 CFADMM Cc1ccccc1C[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000737428215 574140314 /nfs/dbraw/zinc/14/03/14/574140314.db2.gz VAODAFQPYMLEBT-GFCCVEGCSA-N -1 1 294.362 2.613 20 0 CFADMM CCc1noc(C)c1[N-]C(=O)c1ncoc1C(C)C ZINC000755152480 574143080 /nfs/dbraw/zinc/14/30/80/574143080.db2.gz MRCARNXCWUKHNN-UHFFFAOYSA-N -1 1 263.297 2.909 20 0 CFADMM CN1CCC[C@H]1C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000737517484 574145739 /nfs/dbraw/zinc/14/57/39/574145739.db2.gz AODICLQCHVDZJM-HNNXBMFYSA-N -1 1 298.342 2.571 20 0 CFADMM c1ccc2c(c1)SC[C@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000738413441 574167844 /nfs/dbraw/zinc/16/78/44/574167844.db2.gz QTKIXNMSXKVZHD-LLVKDONJSA-N -1 1 296.359 2.521 20 0 CFADMM c1ccc2c(c1)SC[C@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000738413441 574167846 /nfs/dbraw/zinc/16/78/46/574167846.db2.gz QTKIXNMSXKVZHD-LLVKDONJSA-N -1 1 296.359 2.521 20 0 CFADMM CC[C@H]1CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000755864433 574193374 /nfs/dbraw/zinc/19/33/74/574193374.db2.gz URBRVQMTVDXFCJ-VIFPVBQESA-N -1 1 253.729 2.918 20 0 CFADMM C[C@@H](c1c(F)cccc1F)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739054137 574194922 /nfs/dbraw/zinc/19/49/22/574194922.db2.gz PFZPTZXEDFJVOK-UWVGGRQHSA-N -1 1 284.306 2.615 20 0 CFADMM C[C@@H]1CN(Cc2ccccc2Cl)CC[C@@H]1NC(=O)[O-] ZINC000739194950 574200665 /nfs/dbraw/zinc/20/06/65/574200665.db2.gz WYDDNGLMHVMTOX-MFKMUULPSA-N -1 1 282.771 2.818 20 0 CFADMM Cc1nc(COC(=O)c2c([O-])cc(F)cc2F)cs1 ZINC000740956628 574207016 /nfs/dbraw/zinc/20/70/16/574207016.db2.gz BRPMIFQJLBGGEJ-UHFFFAOYSA-N -1 1 285.271 2.792 20 0 CFADMM CC(C)[C@](C)(CNC(=O)[O-])NCc1nc2ccccc2o1 ZINC000738773110 574222271 /nfs/dbraw/zinc/22/22/71/574222271.db2.gz SNKLOIWHCCYIDF-HNNXBMFYSA-N -1 1 291.351 2.600 20 0 CFADMM CC(C)[C@@](C)(CNC(=O)[O-])NCc1nc2ccccc2o1 ZINC000738773112 574222449 /nfs/dbraw/zinc/22/24/49/574222449.db2.gz SNKLOIWHCCYIDF-OAHLLOKOSA-N -1 1 291.351 2.600 20 0 CFADMM O=C([O-])Nc1ccccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000740055786 574233597 /nfs/dbraw/zinc/23/35/97/574233597.db2.gz JVFXZCOSWYHABM-UHFFFAOYSA-N -1 1 296.286 2.905 20 0 CFADMM Cc1cc(C)cc([C@H](NCCNC(=O)[O-])c2cccnc2)c1 ZINC000740064510 574234430 /nfs/dbraw/zinc/23/44/30/574234430.db2.gz RWHWFQGQTIUCOC-MRXNPFEDSA-N -1 1 299.374 2.645 20 0 CFADMM O=C([O-])c1cccc(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000740216573 574243046 /nfs/dbraw/zinc/24/30/46/574243046.db2.gz QGLLGCYSUGYCIO-UHFFFAOYSA-N -1 1 291.690 2.996 20 0 CFADMM O=C([O-])NC1CCC([NH2+]Cc2ccc([O-])c(Cl)c2)CC1 ZINC000740559646 574255723 /nfs/dbraw/zinc/25/57/23/574255723.db2.gz GFDHXVXUSQAJBE-UHFFFAOYSA-N -1 1 298.770 2.714 20 0 CFADMM CC[C@@H](NC(=O)c1c([O-])cccc1Cl)[C@H]1CCCO1 ZINC000756810391 574264655 /nfs/dbraw/zinc/26/46/55/574264655.db2.gz XMYBLQIRVDJOME-ZYHUDNBSSA-N -1 1 283.755 2.733 20 0 CFADMM CN(CCc1ccncc1)C(=O)c1c([O-])cccc1Cl ZINC000748843736 574271443 /nfs/dbraw/zinc/27/14/43/574271443.db2.gz GMJHZHBXWYMLSV-UHFFFAOYSA-N -1 1 290.750 2.755 20 0 CFADMM O=C([N-][C@@H]1CSc2ccccc21)C(F)(F)C(F)F ZINC000749392390 574292570 /nfs/dbraw/zinc/29/25/70/574292570.db2.gz AQVSBPLWPLYODU-SSDOTTSWSA-N -1 1 279.258 2.850 20 0 CFADMM O=C([N-][C@H]1CSc2ccccc21)C(F)(F)C(F)F ZINC000749392397 574292721 /nfs/dbraw/zinc/29/27/21/574292721.db2.gz AQVSBPLWPLYODU-ZETCQYMHSA-N -1 1 279.258 2.850 20 0 CFADMM CC(C)Cc1nc(C(=O)[N-]c2nc(C3CC3)no2)cs1 ZINC000734874493 574305662 /nfs/dbraw/zinc/30/56/62/574305662.db2.gz FOOKFLKKXUUINO-UHFFFAOYSA-N -1 1 292.364 2.854 20 0 CFADMM Cc1cc(C(=O)[N-]c2c3nsnc3ccc2Cl)on1 ZINC000742204006 574318613 /nfs/dbraw/zinc/31/86/13/574318613.db2.gz ZECKTKNJJQLBIU-UHFFFAOYSA-N -1 1 294.723 2.893 20 0 CFADMM O=c1cc(C(F)(F)F)nc(SCCCCCCO)[n-]1 ZINC000750002825 574320661 /nfs/dbraw/zinc/32/06/61/574320661.db2.gz LYNDZSPHGZMPHE-UHFFFAOYSA-N -1 1 296.314 2.846 20 0 CFADMM C/C(=C/C(=O)Nc1n[n-]c(C(F)(F)F)n1)C(C)(C)C ZINC000742574885 574334291 /nfs/dbraw/zinc/33/42/91/574334291.db2.gz ZZJGSTKVHBBBOH-WAYWQWQTSA-N -1 1 276.262 2.754 20 0 CFADMM CC(C)OCc1ccccc1C[N-]C(=O)C(F)(F)F ZINC000725882750 574350547 /nfs/dbraw/zinc/35/05/47/574350547.db2.gz RZAVYLFCKVMESN-UHFFFAOYSA-N -1 1 275.270 2.790 20 0 CFADMM C[C@@H]1CCC[C@@H](CCNc2cccc(-c3nnn[n-]3)n2)C1 ZINC000736247135 574357365 /nfs/dbraw/zinc/35/73/65/574357365.db2.gz AIFIKSDVKRZAMW-NEPJUHHUSA-N -1 1 286.383 2.890 20 0 CFADMM C[C@@H]1CCC[C@@H](CCNc2cccc(-c3nn[n-]n3)n2)C1 ZINC000736247135 574357368 /nfs/dbraw/zinc/35/73/68/574357368.db2.gz AIFIKSDVKRZAMW-NEPJUHHUSA-N -1 1 286.383 2.890 20 0 CFADMM CC1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000736274786 574358667 /nfs/dbraw/zinc/35/86/67/574358667.db2.gz CUVCFGBWSAGQBI-UHFFFAOYSA-N -1 1 294.362 2.651 20 0 CFADMM CC1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000736274786 574358669 /nfs/dbraw/zinc/35/86/69/574358669.db2.gz CUVCFGBWSAGQBI-UHFFFAOYSA-N -1 1 294.362 2.651 20 0 CFADMM C/C=C(/C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000750894306 574360117 /nfs/dbraw/zinc/36/01/17/574360117.db2.gz DHVOJNGAOUHLLD-WMZJFQQLSA-N -1 1 262.305 2.647 20 0 CFADMM C[C@H](O)CC(C)(C)CNC(=O)c1c([O-])cccc1Cl ZINC000743575603 574368901 /nfs/dbraw/zinc/36/89/01/574368901.db2.gz VIFJCAYQBCUEEQ-VIFPVBQESA-N -1 1 285.771 2.573 20 0 CFADMM C[C@@H]1COCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000398870621 574377073 /nfs/dbraw/zinc/37/70/73/574377073.db2.gz CBRFDYNVQYZDEK-GFCCVEGCSA-N -1 1 285.343 2.796 20 0 CFADMM Cc1noc([C@H](C)O[N-]C(=O)CCC2CCCCC2)n1 ZINC000751521096 574378239 /nfs/dbraw/zinc/37/82/39/574378239.db2.gz IXPORKDZEWZRNH-JTQLQIEISA-N -1 1 281.356 2.847 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CC2(C)C)c1 ZINC000751800333 574383226 /nfs/dbraw/zinc/38/32/26/574383226.db2.gz FTMUPXJXXNVBBZ-ZDUSSCGKSA-N -1 1 276.332 2.727 20 0 CFADMM Cn1cncc1[C@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000821310938 597345964 /nfs/dbraw/zinc/34/59/64/597345964.db2.gz YJGDTPYDWHXREB-OAHLLOKOSA-N -1 1 299.374 2.846 20 0 CFADMM O=C([O-])C[C@@H]1CCCN(Cc2csc(C3CC3)n2)C1 ZINC000694823412 597421281 /nfs/dbraw/zinc/42/12/81/597421281.db2.gz VVTKYQBYIZVAPM-JTQLQIEISA-N -1 1 280.393 2.707 20 0 CFADMM O=C(NCCCC1CCCC1)c1cnc(C2CC2)[n-]c1=O ZINC000900107103 620640398 /nfs/dbraw/zinc/64/03/98/620640398.db2.gz ZLOPLYMMSLSHEC-UHFFFAOYSA-N -1 1 289.379 2.760 20 0 CFADMM O=C([O-])c1cccc(CNc2cnn(-c3ccncc3)c2)c1 ZINC000821552671 598203541 /nfs/dbraw/zinc/20/35/41/598203541.db2.gz SJBVWDKVASQMGQ-UHFFFAOYSA-N -1 1 294.314 2.578 20 0 CFADMM Cc1cccc2nc(CNCc3cccc(C(=O)[O-])c3)cn21 ZINC000821120366 598203663 /nfs/dbraw/zinc/20/36/63/598203663.db2.gz WWJHNZGRLRTZQU-UHFFFAOYSA-N -1 1 295.342 2.631 20 0 CFADMM C[C@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)C1CC1 ZINC000820276794 599492627 /nfs/dbraw/zinc/49/26/27/599492627.db2.gz ZQNGUXJWWDJECC-SNVBAGLBSA-N -1 1 294.362 2.873 20 0 CFADMM C[C@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)C1CC1 ZINC000820276794 599492628 /nfs/dbraw/zinc/49/26/28/599492628.db2.gz ZQNGUXJWWDJECC-SNVBAGLBSA-N -1 1 294.362 2.873 20 0 CFADMM O=C([O-])[C@H](NCc1ccccc1F)c1ccc(F)cc1 ZINC000074404054 600416718 /nfs/dbraw/zinc/41/67/18/600416718.db2.gz RPMYNBFFVAJQHE-CQSZACIVSA-N -1 1 277.270 2.880 20 0 CFADMM CC[C@H]1C[C@@H](C)CN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000829074410 600801405 /nfs/dbraw/zinc/80/14/05/600801405.db2.gz DZSCKSWOEFFMGB-ZJUUUORDSA-N -1 1 296.392 2.505 20 0 CFADMM C/C(=C\CN1CCC[C@@H]1c1nc(C)cs1)C(=O)[O-] ZINC000825741800 601160987 /nfs/dbraw/zinc/16/09/87/601160987.db2.gz SMRMWIYIEFRFTD-FZPLPXEFSA-N -1 1 266.366 2.619 20 0 CFADMM C/C(=C\CN1CCc2cccc(F)c2[C@H]1C)C(=O)[O-] ZINC000825746236 601170997 /nfs/dbraw/zinc/17/09/97/601170997.db2.gz GZXAPBJUSBZCRS-CDCCAWJDSA-N -1 1 263.312 2.776 20 0 CFADMM CCc1oc(C(=O)[O-])cc1CSc1nc(C2CC2)n[nH]1 ZINC000830398214 601395243 /nfs/dbraw/zinc/39/52/43/601395243.db2.gz HTYNVYPDPMWOMD-UHFFFAOYSA-N -1 1 293.348 2.828 20 0 CFADMM CCc1oc(C(=O)[O-])cc1CSc1n[nH]c(C2CC2)n1 ZINC000830398214 601395245 /nfs/dbraw/zinc/39/52/45/601395245.db2.gz HTYNVYPDPMWOMD-UHFFFAOYSA-N -1 1 293.348 2.828 20 0 CFADMM Cc1cc(CN2CC[C@](F)(C(=O)[O-])C2)c2ccccc2n1 ZINC000832882664 601437982 /nfs/dbraw/zinc/43/79/82/601437982.db2.gz KWNVHUNNXOZQMK-MRXNPFEDSA-N -1 1 288.322 2.542 20 0 CFADMM CO[C@H](CN[C@H](C(=O)[O-])c1cccs1)CC(C)C ZINC000901598259 620871083 /nfs/dbraw/zinc/87/10/83/620871083.db2.gz LSCIMVBUOVPSPI-JQWIXIFHSA-N -1 1 271.382 2.525 20 0 CFADMM C[C@H]1CN(Cc2csc(-c3ccco3)n2)C[C@@H]1C(=O)[O-] ZINC000111255253 601533259 /nfs/dbraw/zinc/53/32/59/601533259.db2.gz UJZCVRFMTALLEV-ONGXEEELSA-N -1 1 292.360 2.556 20 0 CFADMM CN(Cc1ccsc1C(=O)[O-])[C@H](CO)c1ccccc1 ZINC000830865712 601548150 /nfs/dbraw/zinc/54/81/50/601548150.db2.gz UNKWHRXCPMEXJV-CYBMUJFWSA-N -1 1 291.372 2.612 20 0 CFADMM C/C(=C/CN1CCC[C@H]1c1nc2ccccc2n1C)C(=O)[O-] ZINC000825740991 601568223 /nfs/dbraw/zinc/56/82/23/601568223.db2.gz GEQJRHVKSHTPSS-LMRWQKIVSA-N -1 1 299.374 2.741 20 0 CFADMM Cc1ccnc(NCCOc2ccc(C(=O)[O-])cc2)c1 ZINC000832983945 601857360 /nfs/dbraw/zinc/85/73/60/601857360.db2.gz JQFDTPCZHRLBRP-UHFFFAOYSA-N -1 1 272.304 2.579 20 0 CFADMM C[C@@]1(C(=O)[O-])CCN(Cc2c(F)cccc2Cl)C1 ZINC000062935409 601926386 /nfs/dbraw/zinc/92/63/86/601926386.db2.gz PTXWPXUKQYPQIP-CYBMUJFWSA-N -1 1 271.719 2.776 20 0 CFADMM C/C(=C/CN1CCC[C@@H]1CC(=O)c1cccs1)C(=O)[O-] ZINC000825741420 602237903 /nfs/dbraw/zinc/23/79/03/602237903.db2.gz MVJMMVORBFFEQD-HUMZTAOYSA-N -1 1 293.388 2.816 20 0 CFADMM O=C([O-])N1CC[C@H](NCc2cccc(Cl)c2Cl)C1 ZINC000144303637 602877323 /nfs/dbraw/zinc/87/73/23/602877323.db2.gz CWIQWZBQYKPADD-VIFPVBQESA-N -1 1 289.162 2.835 20 0 CFADMM O=C([O-])N1CC[C@@H](NCc2cccc(Cl)c2Cl)C1 ZINC000218849623 602877565 /nfs/dbraw/zinc/87/75/65/602877565.db2.gz CWIQWZBQYKPADD-SECBINFHSA-N -1 1 289.162 2.835 20 0 CFADMM Cc1ccoc1CNCc1ccc(CCNC(=O)[O-])cc1 ZINC000830616853 603161810 /nfs/dbraw/zinc/16/18/10/603161810.db2.gz TVDPYCWAEDSXHI-UHFFFAOYSA-N -1 1 288.347 2.688 20 0 CFADMM Cc1nc(CN2CCC[C@H](CN(C)C(=O)[O-])C2)sc1C ZINC000830747070 603524906 /nfs/dbraw/zinc/52/49/06/603524906.db2.gz ZNHHQCPXIAFZBS-GFCCVEGCSA-N -1 1 297.424 2.582 20 0 CFADMM CCc1cnc(CN[C@@]2(CNC(=O)[O-])CCCC[C@H]2C)o1 ZINC000827616845 603561740 /nfs/dbraw/zinc/56/17/40/603561740.db2.gz XTORMJNFAYJATC-IAQYHMDHSA-N -1 1 295.383 2.543 20 0 CFADMM O=C([O-])NCCNCc1ccc(-c2c(F)cccc2F)o1 ZINC000832658848 603576092 /nfs/dbraw/zinc/57/60/92/603576092.db2.gz WPLAWBKFHVYRFO-UHFFFAOYSA-N -1 1 296.273 2.582 20 0 CFADMM CN(Cc1cccnc1Cl)C1CCC(NC(=O)[O-])CC1 ZINC000828406497 603785588 /nfs/dbraw/zinc/78/55/88/603785588.db2.gz BAGJBNCLMYQBMT-UHFFFAOYSA-N -1 1 297.786 2.746 20 0 CFADMM CCCN(Cc1c(C)onc1CC)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826912016 603905768 /nfs/dbraw/zinc/90/57/68/603905768.db2.gz MFHRRHUBRSRAFO-GFCCVEGCSA-N -1 1 295.383 2.510 20 0 CFADMM CCCN(Cc1c(C)onc1CC)[C@H]1CCN(C(=O)[O-])C1 ZINC000826912017 603906066 /nfs/dbraw/zinc/90/60/66/603906066.db2.gz MFHRRHUBRSRAFO-LBPRGKRZSA-N -1 1 295.383 2.510 20 0 CFADMM CN(C[C@@H]1CCCN(Cc2ccc(F)cc2F)C1)C(=O)[O-] ZINC000828181375 603964122 /nfs/dbraw/zinc/96/41/22/603964122.db2.gz SJEWKOAZUVKXFS-NSHDSACASA-N -1 1 298.333 2.787 20 0 CFADMM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cccnc1Cl ZINC000825478177 604327235 /nfs/dbraw/zinc/32/72/35/604327235.db2.gz FLDLRCOCKPELPC-UWVGGRQHSA-N -1 1 283.759 2.528 20 0 CFADMM CCCN(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900427054 620675459 /nfs/dbraw/zinc/67/54/59/620675459.db2.gz RRSLFAWJEGMNRX-UHFFFAOYSA-N -1 1 262.284 2.562 20 0 CFADMM Cc1cccc2c1CCN2C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900431352 620676200 /nfs/dbraw/zinc/67/62/00/620676200.db2.gz XAPSCCIDLKXCKO-UHFFFAOYSA-N -1 1 295.342 2.571 20 0 CFADMM CCC[C@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)N(C)C ZINC000833647497 604713235 /nfs/dbraw/zinc/71/32/35/604713235.db2.gz FELYLEIYCJRGFJ-GFCCVEGCSA-N -1 1 298.770 2.707 20 0 CFADMM CCCC[C@@H](NCc1cc2cccnc2o1)C(=O)[O-] ZINC000901711355 620904353 /nfs/dbraw/zinc/90/43/53/620904353.db2.gz SHHTXDGPTNMNFD-GFCCVEGCSA-N -1 1 262.309 2.561 20 0 CFADMM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1ccccc1C1CC1 ZINC000833506208 604770756 /nfs/dbraw/zinc/77/07/56/604770756.db2.gz VHFRNHYVARBTSF-INIZCTEOSA-N -1 1 291.391 2.874 20 0 CFADMM C[C@@H](NC[C@@H]1CCCCN1C(=O)[O-])c1cccnc1Cl ZINC000825486130 604796745 /nfs/dbraw/zinc/79/67/45/604796745.db2.gz VEWZOONSKAHGQF-MNOVXSKESA-N -1 1 297.786 2.918 20 0 CFADMM Cc1ccnc(NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000832983928 604800487 /nfs/dbraw/zinc/80/04/87/604800487.db2.gz JCUIJDNFDNBQGS-ZDUSSCGKSA-N -1 1 256.305 2.670 20 0 CFADMM CC(C)CCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833480260 604866975 /nfs/dbraw/zinc/86/69/75/604866975.db2.gz FSURSUCVUXQSHF-UHFFFAOYSA-N -1 1 275.308 2.636 20 0 CFADMM O=C([O-])C[C@@H]1CCCN1Cn1ccc(-c2cccs2)n1 ZINC000833211825 604976679 /nfs/dbraw/zinc/97/66/79/604976679.db2.gz ODYLVLSKXVTLLB-NSHDSACASA-N -1 1 291.376 2.508 20 0 CFADMM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(F)c(F)c1 ZINC000827718531 604986142 /nfs/dbraw/zinc/98/61/42/604986142.db2.gz UYRQTOFULUTLMJ-YMTOWFKASA-N -1 1 292.285 2.836 20 0 CFADMM CC[C@H]1CC[C@H](C)N1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825191366 608237447 /nfs/dbraw/zinc/23/74/47/608237447.db2.gz ASINPBBJJRTGAS-IUCAKERBSA-N -1 1 292.774 2.682 20 0 CFADMM O=C([O-])Nc1ccc(CN[C@H](c2cccnc2)C2CC2)cn1 ZINC000834260268 605422589 /nfs/dbraw/zinc/42/25/89/605422589.db2.gz NUCGGPASHDMLLK-HNNXBMFYSA-N -1 1 298.346 2.807 20 0 CFADMM Cc1nc([C@H](C)NCC[C@H]2CCCN(C(=O)[O-])C2)cs1 ZINC000830709277 605479032 /nfs/dbraw/zinc/47/90/32/605479032.db2.gz HYOPVIGAASRMLR-CMPLNLGQSA-N -1 1 297.424 2.882 20 0 CFADMM CCC(CC)(CN[C@H](C)c1csc(C)n1)NC(=O)[O-] ZINC000826561101 605479040 /nfs/dbraw/zinc/47/90/40/605479040.db2.gz KPJKRMWFEDNXGV-SECBINFHSA-N -1 1 285.413 2.929 20 0 CFADMM CCC(CC)(CN[C@@H](C)c1csc(C)n1)NC(=O)[O-] ZINC000826561102 605479211 /nfs/dbraw/zinc/47/92/11/605479211.db2.gz KPJKRMWFEDNXGV-VIFPVBQESA-N -1 1 285.413 2.929 20 0 CFADMM CCc1ncc(CN2CCC[C@@H](CN(C)C(=O)[O-])C2)s1 ZINC000833866591 605535982 /nfs/dbraw/zinc/53/59/82/605535982.db2.gz MRAKIKURLUGKBN-NSHDSACASA-N -1 1 297.424 2.527 20 0 CFADMM C[C@@H]1N(Cc2cccc(NC(=O)[O-])c2)CCOC1(C)C ZINC000833838828 605601449 /nfs/dbraw/zinc/60/14/49/605601449.db2.gz QJWOOPBZFFFRJI-NSHDSACASA-N -1 1 278.352 2.776 20 0 CFADMM O=C([O-])N1CC[C@H](N[C@@H](c2ccccc2)c2cccnc2)C1 ZINC000834085507 605982065 /nfs/dbraw/zinc/98/20/65/605982065.db2.gz SMXOJALWEWBAKB-HOTGVXAUSA-N -1 1 297.358 2.513 20 0 CFADMM CC[C@H]1CCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820981035 606438392 /nfs/dbraw/zinc/43/83/92/606438392.db2.gz OBCQWKDOUVPQNT-VIFPVBQESA-N -1 1 292.774 2.684 20 0 CFADMM CC[C@H]1CCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820981035 606438393 /nfs/dbraw/zinc/43/83/93/606438393.db2.gz OBCQWKDOUVPQNT-VIFPVBQESA-N -1 1 292.774 2.684 20 0 CFADMM Cc1cccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000822328441 606438803 /nfs/dbraw/zinc/43/88/03/606438803.db2.gz PYAFZQDNEDQUJB-UHFFFAOYSA-N -1 1 286.726 2.967 20 0 CFADMM Cc1cccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000822328441 606438804 /nfs/dbraw/zinc/43/88/04/606438804.db2.gz PYAFZQDNEDQUJB-UHFFFAOYSA-N -1 1 286.726 2.967 20 0 CFADMM Fc1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000822782854 606439596 /nfs/dbraw/zinc/43/95/96/606439596.db2.gz JOHNNPVZDVJVSM-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM Fc1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000822782854 606439597 /nfs/dbraw/zinc/43/95/97/606439597.db2.gz JOHNNPVZDVJVSM-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM C[C@@H]1CC[C@@H](C)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820684529 606469935 /nfs/dbraw/zinc/46/99/35/606469935.db2.gz QZHGCEQDRQLRPV-RKDXNWHRSA-N -1 1 292.774 2.540 20 0 CFADMM C[C@@H]1CC[C@@H](C)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000820684529 606469937 /nfs/dbraw/zinc/46/99/37/606469937.db2.gz QZHGCEQDRQLRPV-RKDXNWHRSA-N -1 1 292.774 2.540 20 0 CFADMM Cc1cccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822308847 606545732 /nfs/dbraw/zinc/54/57/32/606545732.db2.gz JUFMZCJHUIVGKT-UHFFFAOYSA-N -1 1 299.359 2.513 20 0 CFADMM Cc1cccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822308847 606545734 /nfs/dbraw/zinc/54/57/34/606545734.db2.gz JUFMZCJHUIVGKT-UHFFFAOYSA-N -1 1 299.359 2.513 20 0 CFADMM C[C@@H]1C[C@H](C)CN1c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820657947 606799488 /nfs/dbraw/zinc/79/94/88/606799488.db2.gz NPPIILXMLNBAJH-WDEREUQCSA-N -1 1 294.362 2.650 20 0 CFADMM C[C@@H]1C[C@H](C)CN1c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820657947 606799489 /nfs/dbraw/zinc/79/94/89/606799489.db2.gz NPPIILXMLNBAJH-WDEREUQCSA-N -1 1 294.362 2.650 20 0 CFADMM CC(C)(CNc1cccc(-c2nnn[n-]2)n1)C1CCCC1 ZINC000824162949 607809076 /nfs/dbraw/zinc/80/90/76/607809076.db2.gz VVAMVRJYHWQCCK-UHFFFAOYSA-N -1 1 286.383 2.890 20 0 CFADMM CC(C)(CNc1cccc(-c2nn[n-]n2)n1)C1CCCC1 ZINC000824162949 607809077 /nfs/dbraw/zinc/80/90/77/607809077.db2.gz VVAMVRJYHWQCCK-UHFFFAOYSA-N -1 1 286.383 2.890 20 0 CFADMM Cc1ccc(COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826288871 607866157 /nfs/dbraw/zinc/86/61/57/607866157.db2.gz ZZIJMRBEZHTOIL-UHFFFAOYSA-N -1 1 284.294 2.893 20 0 CFADMM Cc1ccc(COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826288871 607866158 /nfs/dbraw/zinc/86/61/58/607866158.db2.gz ZZIJMRBEZHTOIL-UHFFFAOYSA-N -1 1 284.294 2.893 20 0 CFADMM C[C@@H](c1cccs1)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000095230558 607895936 /nfs/dbraw/zinc/89/59/36/607895936.db2.gz HKZMEORJUXABFT-VIFPVBQESA-N -1 1 286.364 2.521 20 0 CFADMM C[C@@H](c1cccs1)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000095230558 607895937 /nfs/dbraw/zinc/89/59/37/607895937.db2.gz HKZMEORJUXABFT-VIFPVBQESA-N -1 1 286.364 2.521 20 0 CFADMM CC(C)Oc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000824333858 607896288 /nfs/dbraw/zinc/89/62/88/607896288.db2.gz OGNXHKIOSFVLHY-UHFFFAOYSA-N -1 1 296.334 2.793 20 0 CFADMM CC(C)Oc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000824333858 607896289 /nfs/dbraw/zinc/89/62/89/607896289.db2.gz OGNXHKIOSFVLHY-UHFFFAOYSA-N -1 1 296.334 2.793 20 0 CFADMM c1cc(-c2nnn[n-]2)nc(N(CC2CC2)C2CCCCC2)c1 ZINC000826514429 607898586 /nfs/dbraw/zinc/89/85/86/607898586.db2.gz QVTVYXCCQOOABU-UHFFFAOYSA-N -1 1 298.394 2.811 20 0 CFADMM c1cc(-c2nn[n-]n2)nc(N(CC2CC2)C2CCCCC2)c1 ZINC000826514429 607898587 /nfs/dbraw/zinc/89/85/87/607898587.db2.gz QVTVYXCCQOOABU-UHFFFAOYSA-N -1 1 298.394 2.811 20 0 CFADMM CC(C)C[C@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000824228830 608179689 /nfs/dbraw/zinc/17/96/89/608179689.db2.gz MENNDLYSMCNBSH-QMMMGPOBSA-N -1 1 280.353 2.520 20 0 CFADMM C[C@H]1CCCCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824936418 608183929 /nfs/dbraw/zinc/18/39/29/608183929.db2.gz HBOFYTLFGFEKKR-ZETCQYMHSA-N -1 1 298.803 2.746 20 0 CFADMM C[C@H]1CCCCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824936418 608183930 /nfs/dbraw/zinc/18/39/30/608183930.db2.gz HBOFYTLFGFEKKR-ZETCQYMHSA-N -1 1 298.803 2.746 20 0 CFADMM C[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)[C@H]1C ZINC000824946070 608185865 /nfs/dbraw/zinc/18/58/65/608185865.db2.gz HDXDZORDFVVLIH-RQJHMYQMSA-N -1 1 298.803 2.601 20 0 CFADMM C[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)[C@H]1C ZINC000824946070 608185867 /nfs/dbraw/zinc/18/58/67/608185867.db2.gz HDXDZORDFVVLIH-RQJHMYQMSA-N -1 1 298.803 2.601 20 0 CFADMM CC[C@H]1CC[C@H](C)N1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825191366 608237446 /nfs/dbraw/zinc/23/74/46/608237446.db2.gz ASINPBBJJRTGAS-IUCAKERBSA-N -1 1 292.774 2.682 20 0 CFADMM C[C@H](Sc1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC000824754541 608420873 /nfs/dbraw/zinc/42/08/73/608420873.db2.gz IKOJWXJGLCHJJH-ZETCQYMHSA-N -1 1 290.377 2.572 20 0 CFADMM C[C@H](Sc1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC000824754541 608420874 /nfs/dbraw/zinc/42/08/74/608420874.db2.gz IKOJWXJGLCHJJH-ZETCQYMHSA-N -1 1 290.377 2.572 20 0 CFADMM CCc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1C ZINC000825716895 608750271 /nfs/dbraw/zinc/75/02/71/608750271.db2.gz CKBLVJCEUUMIFA-UHFFFAOYSA-N -1 1 294.362 2.745 20 0 CFADMM CCc1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1C ZINC000825716895 608750273 /nfs/dbraw/zinc/75/02/73/608750273.db2.gz CKBLVJCEUUMIFA-UHFFFAOYSA-N -1 1 294.362 2.745 20 0 CFADMM C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)C1CCCCC1 ZINC000900820927 620717319 /nfs/dbraw/zinc/71/73/19/620717319.db2.gz BFBPMWSYTIXCST-JTQLQIEISA-N -1 1 289.379 2.758 20 0 CFADMM CCC[C@H](NC(=O)C1CCCCCCC1)c1nn[n-]n1 ZINC000176740988 618094508 /nfs/dbraw/zinc/09/45/08/618094508.db2.gz MNEHKBWBNLLCQT-LBPRGKRZSA-N -1 1 279.388 2.518 20 0 CFADMM O=C(NC[C@@H](O)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000035109207 617611914 /nfs/dbraw/zinc/61/19/14/617611914.db2.gz SIRHHUNJUDJMBV-CQSZACIVSA-N -1 1 291.734 2.509 20 0 CFADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)C1CC2(CCC2)C1 ZINC000891613494 617686234 /nfs/dbraw/zinc/68/62/34/617686234.db2.gz ICNVHAZOXHUSID-UHFFFAOYSA-N -1 1 287.363 2.580 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(=O)C[C@@H]1C1CC1 ZINC000891768868 617744074 /nfs/dbraw/zinc/74/40/74/617744074.db2.gz FPXSBZHCGJOJFA-CYBMUJFWSA-N -1 1 293.750 2.629 20 0 CFADMM O=C(CCCC(=O)c1ccccc1)[N-]OCC(F)(F)F ZINC000901112866 620752413 /nfs/dbraw/zinc/75/24/13/620752413.db2.gz ZHZFXKRHOVLROE-UHFFFAOYSA-N -1 1 289.253 2.650 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCCCC[C@H]1CO ZINC000317720090 617832294 /nfs/dbraw/zinc/83/22/94/617832294.db2.gz JNVQIRXWGSHXCI-AWEZNQCLSA-N -1 1 299.370 2.923 20 0 CFADMM C[C@@H](O)c1cc(NC(=O)c2ccc(O)cc2[O-])ccc1F ZINC000804791064 617883255 /nfs/dbraw/zinc/88/32/55/617883255.db2.gz GIWIWHGMWHWSRA-MRVPVSSYSA-N -1 1 291.278 2.543 20 0 CFADMM O=C([N-][C@H](c1ccncc1)C1CC1)C(F)(F)C(F)F ZINC000890912669 617944091 /nfs/dbraw/zinc/94/40/91/617944091.db2.gz HTWZJOTYFFONKL-VIFPVBQESA-N -1 1 276.233 2.549 20 0 CFADMM COCc1nc(N2CC[C@H](c3ccccc3C)C2)cc(=O)[n-]1 ZINC000892250736 618022386 /nfs/dbraw/zinc/02/23/86/618022386.db2.gz KCEUDPXHJKGBCO-ZDUSSCGKSA-N -1 1 299.374 2.631 20 0 CFADMM CCOc1cc(C(=O)NC/C=C/Cl)cc(Cl)c1[O-] ZINC000891217933 618050951 /nfs/dbraw/zinc/05/09/51/618050951.db2.gz RWZATUODSSORLF-ONEGZZNKSA-N -1 1 290.146 2.927 20 0 CFADMM O=C(NC1(C2CCCCC2)CC1)C(=O)c1ccc([O-])cc1 ZINC000891276585 618095884 /nfs/dbraw/zinc/09/58/84/618095884.db2.gz OZIVZYIUVAADGN-UHFFFAOYSA-N -1 1 287.359 2.804 20 0 CFADMM Cc1ccc(CN(C)Cc2cccc(C(=O)[O-])n2)cc1 ZINC000234293722 618161602 /nfs/dbraw/zinc/16/16/02/618161602.db2.gz FODYYEOHSGLOLG-UHFFFAOYSA-N -1 1 270.332 2.720 20 0 CFADMM CCc1ccccc1CNCc1cc(C(=O)[O-])co1 ZINC000228173902 618189071 /nfs/dbraw/zinc/18/90/71/618189071.db2.gz OZKYYCNPDHDXQM-UHFFFAOYSA-N -1 1 259.305 2.830 20 0 CFADMM CCC[C@H](C)CC(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067080004 618324567 /nfs/dbraw/zinc/32/45/67/618324567.db2.gz BTLRUVPBNPADGF-JTQLQIEISA-N -1 1 296.440 2.761 20 0 CFADMM COC/C(C)=C\COC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000909466479 618370994 /nfs/dbraw/zinc/37/09/94/618370994.db2.gz ITLDAQZCCPXOOH-YHYXMXQVSA-N -1 1 284.739 2.724 20 0 CFADMM C[C@H]1CCN(C(=O)NCCc2c(F)cc([O-])cc2F)[C@H]1C ZINC000927783024 618471268 /nfs/dbraw/zinc/47/12/68/618471268.db2.gz TZPWZHIVPCVTSH-UWVGGRQHSA-N -1 1 298.333 2.653 20 0 CFADMM O=c1nc(NCC[C@@H]2CC[C@H]3C[C@H]32)cc(Cl)[n-]1 ZINC000895426297 618576345 /nfs/dbraw/zinc/57/63/45/618576345.db2.gz SNFTXUWUUVVWGK-CIUDSAMLSA-N -1 1 253.733 2.684 20 0 CFADMM O=c1nc(NCC[C@@H]2C[C@H]2C2CC2)cc(Cl)[n-]1 ZINC000895426753 618576383 /nfs/dbraw/zinc/57/63/83/618576383.db2.gz QZLKSHLBIKVVCG-BDAKNGLRSA-N -1 1 253.733 2.684 20 0 CFADMM CCn1c(CNC(=O)C[C@H](C)CC(C)C)n[n-]c1=S ZINC000066636934 618633729 /nfs/dbraw/zinc/63/37/29/618633729.db2.gz DLRFDEOLCDEVMG-SNVBAGLBSA-N -1 1 284.429 2.649 20 0 CFADMM CCCCCN1CC(=O)N[C@@H]1c1cc(Cl)ccc1[O-] ZINC000182336148 625286917 /nfs/dbraw/zinc/28/69/17/625286917.db2.gz KJFBBQIUDLVMBJ-AWEZNQCLSA-N -1 1 282.771 2.666 20 0 CFADMM CCS[C@H]1CCC[C@@H](Nc2cc(=O)[n-]c(COC)n2)C1 ZINC000892813522 618750230 /nfs/dbraw/zinc/75/02/30/618750230.db2.gz SGPOMTJMBLMYPR-MNOVXSKESA-N -1 1 297.424 2.805 20 0 CFADMM CCC1(C(=O)[N-]O[C@@H]2CCCCO2)CCCCC1 ZINC000184144389 618912770 /nfs/dbraw/zinc/91/27/70/618912770.db2.gz LOVKLSRPPDXOQA-GFCCVEGCSA-N -1 1 255.358 2.921 20 0 CFADMM CCOc1cc(C(=O)[N-]c2ncsc2C2CC2)on1 ZINC000893262757 618914185 /nfs/dbraw/zinc/91/41/85/618914185.db2.gz QQTGPBRCIKSSNO-UHFFFAOYSA-N -1 1 279.321 2.660 20 0 CFADMM Oc1ccc(C[N@H+]2CCC[C@H](OC(F)F)C2)cc1F ZINC000893486501 619016081 /nfs/dbraw/zinc/01/60/81/619016081.db2.gz BAAXJRYUWWILTK-JTQLQIEISA-N -1 1 275.270 2.735 20 0 CFADMM Cc1csc(CN[C@H](CC(=O)[O-])c2cccs2)n1 ZINC000162323170 619076352 /nfs/dbraw/zinc/07/63/52/619076352.db2.gz GRQLYXQBFCDPDT-SECBINFHSA-N -1 1 282.390 2.819 20 0 CFADMM Cc1[nH]nc([N-]S(=O)(=O)C=Cc2ccc(F)cc2)c1C ZINC000178570565 619177554 /nfs/dbraw/zinc/17/75/54/619177554.db2.gz OOISPNDZCKPFAM-BQYQJAHWSA-N -1 1 295.339 2.578 20 0 CFADMM CCS(=O)(CC)=NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000925868606 619191962 /nfs/dbraw/zinc/19/19/62/619191962.db2.gz FBHOOFNUBCXTMO-UHFFFAOYSA-N -1 1 289.784 2.623 20 0 CFADMM CCc1cc(C(=O)N=S(=O)(CC)CC)ccc1[O-] ZINC000925875460 619196222 /nfs/dbraw/zinc/19/62/22/619196222.db2.gz HRMLZARVFZFPSA-UHFFFAOYSA-N -1 1 269.366 2.603 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000894730776 619451935 /nfs/dbraw/zinc/45/19/35/619451935.db2.gz DMYNWLKJWPDBNH-YGRLFVJLSA-N -1 1 295.766 2.687 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000894732572 619452394 /nfs/dbraw/zinc/45/23/94/619452394.db2.gz QKDVGUSDWAVPBF-QMTHXVAHSA-N -1 1 295.766 2.687 20 0 CFADMM CC(C)N(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895564708 619553838 /nfs/dbraw/zinc/55/38/38/619553838.db2.gz ZZERBUNVZWHIAV-UHFFFAOYSA-N -1 1 259.305 2.731 20 0 CFADMM CC(C)(C)c1nnc([N-][C@H](c2ncccn2)C2CC2)o1 ZINC000895774741 619603678 /nfs/dbraw/zinc/60/36/78/619603678.db2.gz IUHRUIDNFUQPSW-JTQLQIEISA-N -1 1 273.340 2.720 20 0 CFADMM C[C@@H]1CO[C@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000896220680 619693275 /nfs/dbraw/zinc/69/32/75/619693275.db2.gz HZLSBILQXSICOP-CPCISQLKSA-N -1 1 264.256 2.679 20 0 CFADMM C[C@](O)(c1nc(-c2ccc([O-])c(F)c2)no1)C1CCC1 ZINC000896225064 619696725 /nfs/dbraw/zinc/69/67/25/619696725.db2.gz VQMDELYCZLMXMF-CQSZACIVSA-N -1 1 278.283 2.589 20 0 CFADMM C[C@H]1C[C@H](Nc2cc(Cl)[n-]c(=O)n2)CCS1 ZINC000896247558 619700627 /nfs/dbraw/zinc/70/06/27/619700627.db2.gz REHLQFVKXSBABR-NKWVEPMBSA-N -1 1 259.762 2.532 20 0 CFADMM C[C@@H]1CCc2[nH]nc(C(=O)Nc3c([O-])cccc3F)c2C1 ZINC000896403596 619730411 /nfs/dbraw/zinc/73/04/11/619730411.db2.gz ULPGZGCCKYVANB-MRVPVSSYSA-N -1 1 289.310 2.632 20 0 CFADMM [O-]c1ccc(Cc2nc(C3CSC3)no2)cc1Cl ZINC000896737940 619801367 /nfs/dbraw/zinc/80/13/67/619801367.db2.gz GGKHPOJYKVPQPO-UHFFFAOYSA-N -1 1 282.752 2.850 20 0 CFADMM C[C@H]1CN(C(=O)c2ccc3ccc(O)cc3c2[O-])C[C@H]1C ZINC000896758470 619803011 /nfs/dbraw/zinc/80/30/11/619803011.db2.gz QGRYYGHXBWGIAD-PHIMTYICSA-N -1 1 285.343 2.979 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCOC2(CCC2)C1 ZINC000897015435 619913258 /nfs/dbraw/zinc/91/32/58/619913258.db2.gz TXMGBQVEWRYKEI-SNVBAGLBSA-N -1 1 279.311 2.819 20 0 CFADMM C[C@@H](OC(=O)c1ccc([O-])cc1F)C(=O)C(C)(C)C ZINC000869464864 619929610 /nfs/dbraw/zinc/92/96/10/619929610.db2.gz ITZOFVXJSFMPCM-MRVPVSSYSA-N -1 1 268.284 2.692 20 0 CFADMM Nc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cc(Cl)n1 ZINC000182860470 625385633 /nfs/dbraw/zinc/38/56/33/625385633.db2.gz BCIORKLYQPMSQL-UHFFFAOYSA-N -1 1 298.129 2.929 20 0 CFADMM CC[C@H]1c2ccccc2CN1c1cc(=O)[n-]c(COC)n1 ZINC000897355278 620020393 /nfs/dbraw/zinc/02/03/93/620020393.db2.gz 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CCC[C@H](OC)c1noc(-c2ccc(N)cc2[O-])n1 ZINC000227315253 623106442 /nfs/dbraw/zinc/10/64/42/623106442.db2.gz TVZHKPFAAZWNCE-NSHDSACASA-N -1 1 263.297 2.512 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@]12CCO[C@@H]1CCCC2 ZINC000822542415 623123747 /nfs/dbraw/zinc/12/37/47/623123747.db2.gz AJYNKPMHKKWUCB-HIFRSBDPSA-N -1 1 297.301 2.958 20 0 CFADMM O=C([O-])/C=C\c1ccccc1-c1noc([C@@H]2CCCCN2)n1 ZINC000822621822 623137793 /nfs/dbraw/zinc/13/77/93/623137793.db2.gz PBZOXWQPKLLPED-YXVBKTCISA-N -1 1 299.330 2.649 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])c1cnn(C2CCC2)c1 ZINC000822971235 623212435 /nfs/dbraw/zinc/21/24/35/623212435.db2.gz ASLRFTIHTPQTBW-UHFFFAOYSA-N -1 1 293.273 2.844 20 0 CFADMM C[C@H]1CCN[C@H](c2nc(-c3ccc(O)cc3F)no2)C1 ZINC000823069827 623227652 /nfs/dbraw/zinc/22/76/52/623227652.db2.gz UZPXYLKCSYJCPG-UFBFGSQYSA-N -1 1 277.299 2.642 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)C1(Br)CC1 ZINC000823439499 623319649 /nfs/dbraw/zinc/31/96/49/623319649.db2.gz RCUNEHRCJNYXKM-UHFFFAOYSA-N -1 1 292.079 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266.300 2.557 20 0 CFADMM Cc1cccc(-c2ccc([P@@](=O)([O-])O)cc2)c1C ZINC001239717472 779725411 /nfs/dbraw/zinc/72/54/11/779725411.db2.gz KWQPGUVVDIDKFH-UHFFFAOYSA-N -1 1 262.245 2.773 20 0 CFADMM Cc1cccc(-c2ccc([P@](=O)([O-])O)cc2)c1C ZINC001239717472 779725417 /nfs/dbraw/zinc/72/54/17/779725417.db2.gz KWQPGUVVDIDKFH-UHFFFAOYSA-N -1 1 262.245 2.773 20 0 CFADMM CC(C)Oc1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001239969143 779889465 /nfs/dbraw/zinc/88/94/65/779889465.db2.gz YBPICCMIYOXYNF-UHFFFAOYSA-N -1 1 281.319 2.716 20 0 CFADMM CC(C)Oc1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001239969143 779889469 /nfs/dbraw/zinc/88/94/69/779889469.db2.gz YBPICCMIYOXYNF-UHFFFAOYSA-N -1 1 281.319 2.716 20 0 CFADMM CCCn1cc(-c2ccc3nc(C(=O)OC)[n-]c3c2)cn1 ZINC001240130680 779956080 /nfs/dbraw/zinc/95/60/80/779956080.db2.gz CQQKTJFYVDNZAL-UHFFFAOYSA-N -1 1 284.319 2.623 20 0 CFADMM CCCn1cc(-c2ccc3[n-]c(C(=O)OC)nc3c2)cn1 ZINC001240130680 779956086 /nfs/dbraw/zinc/95/60/86/779956086.db2.gz CQQKTJFYVDNZAL-UHFFFAOYSA-N -1 1 284.319 2.623 20 0 CFADMM COC(=O)c1nc2ccc(-c3cncc(F)c3)cc2[n-]1 ZINC001240234427 780016443 /nfs/dbraw/zinc/01/64/43/780016443.db2.gz DNJANHSTHZQHBT-UHFFFAOYSA-N -1 1 271.251 2.551 20 0 CFADMM COC(=O)c1nc2cc(-c3cncc(F)c3)ccc2[n-]1 ZINC001240234427 780016451 /nfs/dbraw/zinc/01/64/51/780016451.db2.gz DNJANHSTHZQHBT-UHFFFAOYSA-N -1 1 271.251 2.551 20 0 CFADMM CCOC(=O)c1nc2cc(-c3ccnc(OC)c3)ccc2[n-]1 ZINC001240258739 780035505 /nfs/dbraw/zinc/03/55/05/780035505.db2.gz ADSFRWWHEYQING-UHFFFAOYSA-N -1 1 297.314 2.810 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3ccnc(OC)c3)cc2[n-]1 ZINC001240258739 780035514 /nfs/dbraw/zinc/03/55/14/780035514.db2.gz ADSFRWWHEYQING-UHFFFAOYSA-N -1 1 297.314 2.810 20 0 CFADMM CCc1ccc(-c2noc(-c3cc(C(C)=O)n[nH]3)n2)cc1 ZINC001212429217 780173344 /nfs/dbraw/zinc/17/33/44/780173344.db2.gz FQMSVCNKYJTQPD-UHFFFAOYSA-N -1 1 282.303 2.892 20 0 CFADMM CCc1ccc(-c2noc(-c3cc(C(C)=O)[n-]n3)n2)cc1 ZINC001212429217 780173349 /nfs/dbraw/zinc/17/33/49/780173349.db2.gz FQMSVCNKYJTQPD-UHFFFAOYSA-N -1 1 282.303 2.892 20 0 CFADMM CCc1ccc(-c2noc(-c3cc(C(C)=O)n[n-]3)n2)cc1 ZINC001212429217 780173352 /nfs/dbraw/zinc/17/33/52/780173352.db2.gz FQMSVCNKYJTQPD-UHFFFAOYSA-N -1 1 282.303 2.892 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccccc3Cl)no2)[nH]n1 ZINC001212429763 780173739 /nfs/dbraw/zinc/17/37/39/780173739.db2.gz OMFDZLKOPYIEOD-UHFFFAOYSA-N -1 1 288.694 2.983 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccccc3Cl)no2)n[n-]1 ZINC001212429763 780173744 /nfs/dbraw/zinc/17/37/44/780173744.db2.gz OMFDZLKOPYIEOD-UHFFFAOYSA-N -1 1 288.694 2.983 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccccc3Cl)no2)[n-]n1 ZINC001212429763 780173747 /nfs/dbraw/zinc/17/37/47/780173747.db2.gz OMFDZLKOPYIEOD-UHFFFAOYSA-N -1 1 288.694 2.983 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccc(C)cc3C)no2)[nH]n1 ZINC001212429545 780173906 /nfs/dbraw/zinc/17/39/06/780173906.db2.gz IQEMXOPTLXMNJJ-UHFFFAOYSA-N -1 1 282.303 2.946 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccc(C)cc3C)no2)n[n-]1 ZINC001212429545 780173911 /nfs/dbraw/zinc/17/39/11/780173911.db2.gz IQEMXOPTLXMNJJ-UHFFFAOYSA-N -1 1 282.303 2.946 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccc(C)cc3C)no2)[n-]n1 ZINC001212429545 780173917 /nfs/dbraw/zinc/17/39/17/780173917.db2.gz IQEMXOPTLXMNJJ-UHFFFAOYSA-N -1 1 282.303 2.946 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccccc3C(C)=O)no2)[nH]n1 ZINC001212429214 780174121 /nfs/dbraw/zinc/17/41/21/780174121.db2.gz FPNZHAIVHJUGNP-UHFFFAOYSA-N -1 1 296.286 2.532 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccccc3C(C)=O)no2)n[n-]1 ZINC001212429214 780174126 /nfs/dbraw/zinc/17/41/26/780174126.db2.gz FPNZHAIVHJUGNP-UHFFFAOYSA-N -1 1 296.286 2.532 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccccc3C(C)=O)no2)[n-]n1 ZINC001212429214 780174131 /nfs/dbraw/zinc/17/41/31/780174131.db2.gz FPNZHAIVHJUGNP-UHFFFAOYSA-N -1 1 296.286 2.532 20 0 CFADMM c1cc(-c2ccc(-c3nnn[n-]3)nc2)cc(N2CCCC2)c1 ZINC001240535823 780239175 /nfs/dbraw/zinc/23/91/75/780239175.db2.gz AZNFFOYQXDZESG-UHFFFAOYSA-N -1 1 292.346 2.529 20 0 CFADMM c1cc(-c2ccc(-c3nn[n-]n3)nc2)cc(N2CCCC2)c1 ZINC001240535823 780239180 /nfs/dbraw/zinc/23/91/80/780239180.db2.gz AZNFFOYQXDZESG-UHFFFAOYSA-N -1 1 292.346 2.529 20 0 CFADMM COc1cc(Nc2cc(F)c([O-])c(Cl)c2)no1 ZINC001214479876 780316621 /nfs/dbraw/zinc/31/66/21/780316621.db2.gz HVMKDPZEMDQOLD-UHFFFAOYSA-N -1 1 258.636 2.925 20 0 CFADMM COc1ccc(N)c(Nc2cc(F)c([O-])c(Cl)c2)n1 ZINC001214482683 780323333 /nfs/dbraw/zinc/32/33/33/780323333.db2.gz IOAVTPZUNAWAPV-UHFFFAOYSA-N -1 1 283.690 2.914 20 0 CFADMM COC(=O)c1nc2ccc(-c3cnc(C4CC4)nc3)cc2[n-]1 ZINC001240687097 780359042 /nfs/dbraw/zinc/35/90/42/780359042.db2.gz UWNGUHFFEVKIGD-UHFFFAOYSA-N -1 1 294.314 2.684 20 0 CFADMM COC(=O)c1nc2cc(-c3cnc(C4CC4)nc3)ccc2[n-]1 ZINC001240687097 780359052 /nfs/dbraw/zinc/35/90/52/780359052.db2.gz UWNGUHFFEVKIGD-UHFFFAOYSA-N -1 1 294.314 2.684 20 0 CFADMM CCOc1ccc(C(=O)OC)c(-c2cc(F)ccc2[O-])n1 ZINC001240694017 780363715 /nfs/dbraw/zinc/36/37/15/780363715.db2.gz MMUIJKLIVUGDDC-UHFFFAOYSA-N -1 1 291.278 2.779 20 0 CFADMM Cc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1C ZINC001240703050 780372486 /nfs/dbraw/zinc/37/24/86/780372486.db2.gz WTBVMNSGCGCRTE-UHFFFAOYSA-N -1 1 262.245 2.773 20 0 CFADMM Cc1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1C ZINC001240703050 780372495 /nfs/dbraw/zinc/37/24/95/780372495.db2.gz WTBVMNSGCGCRTE-UHFFFAOYSA-N -1 1 262.245 2.773 20 0 CFADMM [O-]c1cccnc1-c1nc(-c2cnc3c(c2)CCCC3)no1 ZINC001212482666 780397617 /nfs/dbraw/zinc/39/76/17/780397617.db2.gz SDESEWAYAHZNHJ-UHFFFAOYSA-N -1 1 294.314 2.778 20 0 CFADMM COc1cc(C(=O)[O-])ccc1-c1ccc(CN(C)C)cn1 ZINC001240734094 780401046 /nfs/dbraw/zinc/40/10/46/780401046.db2.gz NWPOICVUBAYKBB-UHFFFAOYSA-N -1 1 286.331 2.517 20 0 CFADMM COc1cc(C(=O)[O-])ccc1-c1ccc2cncn2c1 ZINC001240734781 780402271 /nfs/dbraw/zinc/40/22/71/780402271.db2.gz HXFSKXFMABLRIA-UHFFFAOYSA-N -1 1 268.272 2.708 20 0 CFADMM COc1cc(-c2cc3[nH]ccc3cn2)ccc1C(=O)[O-] ZINC001240741814 780407930 /nfs/dbraw/zinc/40/79/30/780407930.db2.gz OPPWVQBPLRWCTB-UHFFFAOYSA-N -1 1 268.272 2.937 20 0 CFADMM COC(=O)c1ccc(C)nc1-c1ccc([O-])c(F)c1 ZINC001240782658 780436461 /nfs/dbraw/zinc/43/64/61/780436461.db2.gz CQYBJONFAKECKZ-UHFFFAOYSA-N -1 1 261.252 2.688 20 0 CFADMM [O-]c1ccc(-c2ccc(OCC(F)(F)F)nn2)cc1F ZINC001240783239 780437098 /nfs/dbraw/zinc/43/70/98/780437098.db2.gz QMPKWWGZYPONCV-UHFFFAOYSA-N -1 1 288.200 2.929 20 0 CFADMM O=C1Cc2cc(-c3ccc(F)c(F)c3F)ccc2C(=O)[N-]1 ZINC001240993719 780579669 /nfs/dbraw/zinc/57/96/69/780579669.db2.gz OIMSPAZKGKZCLQ-UHFFFAOYSA-N -1 1 291.228 2.583 20 0 CFADMM Cc1ccc(C(=O)[O-])cc1-c1cc(N2CCOCC2)ccn1 ZINC001240999242 780582380 /nfs/dbraw/zinc/58/23/80/780582380.db2.gz JZMKIPNLGNNDKX-UHFFFAOYSA-N -1 1 298.342 2.592 20 0 CFADMM Cc1ccc(-c2nccc(NCC3CC3)n2)c([O-])c1 ZINC001241028576 780602177 /nfs/dbraw/zinc/60/21/77/780602177.db2.gz PGQSWSKZAXFVDJ-UHFFFAOYSA-N -1 1 255.321 2.980 20 0 CFADMM Cc1ccc(-c2ncc(OCC3CC3)cn2)c([O-])c1 ZINC001241030282 780603363 /nfs/dbraw/zinc/60/33/63/780603363.db2.gz GXABJWKTDBCVCZ-UHFFFAOYSA-N -1 1 256.305 2.946 20 0 CFADMM COC(=O)c1ccc(-c2c(F)cc([O-])cc2F)nc1C ZINC001241116977 780645314 /nfs/dbraw/zinc/64/53/14/780645314.db2.gz KGLVXVGFBFCJKM-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM COCc1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241120388 780648202 /nfs/dbraw/zinc/64/82/02/780648202.db2.gz RRWHKOVBHDOQAS-UHFFFAOYSA-N -1 1 251.232 2.879 20 0 CFADMM Cc1cn2cc(-c3c(F)cc([O-])cc3F)ncc2n1 ZINC001241120559 780648219 /nfs/dbraw/zinc/64/82/19/780648219.db2.gz AEGNJAOTGVHWLS-UHFFFAOYSA-N -1 1 261.231 2.689 20 0 CFADMM CC(=O)Nc1ccc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241120600 780648578 /nfs/dbraw/zinc/64/85/78/780648578.db2.gz CDLWXCCJNHKKLS-UHFFFAOYSA-N -1 1 264.231 2.691 20 0 CFADMM [O-]c1cc(F)c(-c2cncc(OC(F)F)n2)c(F)c1 ZINC001241119456 780648822 /nfs/dbraw/zinc/64/88/22/780648822.db2.gz OJIRDYNSQUKMGW-UHFFFAOYSA-N -1 1 274.173 2.729 20 0 CFADMM CS(=O)(=O)Cc1ccccc1-c1c(F)cc([O-])cc1F ZINC001241121335 780649457 /nfs/dbraw/zinc/64/94/57/780649457.db2.gz HEUCQCOEVAHXON-UHFFFAOYSA-N -1 1 298.310 2.882 20 0 CFADMM CN1Cc2ccc(-c3c(F)cc([O-])cc3F)cc2C1=O ZINC001241120938 780649702 /nfs/dbraw/zinc/64/97/02/780649702.db2.gz UFBOCLGESOZIOX-UHFFFAOYSA-N -1 1 275.254 2.923 20 0 CFADMM NC(=S)c1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241121135 780649854 /nfs/dbraw/zinc/64/98/54/780649854.db2.gz BYECZOQCKRLCGA-UHFFFAOYSA-N -1 1 265.284 2.972 20 0 CFADMM CS(=O)(=O)c1ccccc1-c1c(F)cc([O-])cc1F ZINC001241122275 780650972 /nfs/dbraw/zinc/65/09/72/780650972.db2.gz KUWNHRLGSMGTFZ-UHFFFAOYSA-N -1 1 284.283 2.741 20 0 CFADMM Cc1cc(-c2c(F)cc([O-])cc2F)cc2c1OCC(=O)N2 ZINC001241125183 780651849 /nfs/dbraw/zinc/65/18/49/780651849.db2.gz UENYJPMNJMHABK-UHFFFAOYSA-N -1 1 291.253 2.977 20 0 CFADMM CN(C)c1ncccc1-c1c(F)cc([O-])cc1F ZINC001241122834 780652355 /nfs/dbraw/zinc/65/23/55/780652355.db2.gz NOZXZFXFMLTEDR-UHFFFAOYSA-N -1 1 250.248 2.798 20 0 CFADMM CC(C)(CNC(=O)c1c([O-])cccc1F)C(C)(F)F ZINC000700353381 780682430 /nfs/dbraw/zinc/68/24/30/780682430.db2.gz NOMYICBGPWKVAO-UHFFFAOYSA-N -1 1 275.270 2.943 20 0 CFADMM COC(=O)c1nc2cc(-c3ccc4c(c3)OCC4)ccc2[n-]1 ZINC001241219956 780710726 /nfs/dbraw/zinc/71/07/26/780710726.db2.gz KXGDFSFHWHWABB-UHFFFAOYSA-N -1 1 294.310 2.951 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc4c(c3)OCC4)cc2[n-]1 ZINC001241219956 780710732 /nfs/dbraw/zinc/71/07/32/780710732.db2.gz KXGDFSFHWHWABB-UHFFFAOYSA-N -1 1 294.310 2.951 20 0 CFADMM Cc1ccc2c(ncnc2-c2c(F)ccc([O-])c2F)n1 ZINC001241289012 780757953 /nfs/dbraw/zinc/75/79/53/780757953.db2.gz GITRHHKXDWUPDZ-UHFFFAOYSA-N -1 1 273.242 2.984 20 0 CFADMM [O-]c1ccc(F)c(-c2cccc(N3CCOCC3)n2)c1F ZINC001241289156 780758647 /nfs/dbraw/zinc/75/86/47/780758647.db2.gz MFBZLJQRLSCPSI-UHFFFAOYSA-N -1 1 292.285 2.569 20 0 CFADMM COCc1ccc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241290067 780759441 /nfs/dbraw/zinc/75/94/41/780759441.db2.gz KDTZUNSLTGULCR-UHFFFAOYSA-N -1 1 251.232 2.879 20 0 CFADMM [O-]c1ccc(F)c(-c2nccc(NCC3CC3)n2)c1F ZINC001241289551 780760109 /nfs/dbraw/zinc/76/01/09/780760109.db2.gz BDWSUGIHRHZWLL-UHFFFAOYSA-N -1 1 277.274 2.949 20 0 CFADMM COC(=O)c1cc(C)cnc1-c1c(F)ccc([O-])c1F ZINC001241289503 780760266 /nfs/dbraw/zinc/76/02/66/780760266.db2.gz APZYDBFAGYMQIJ-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM CCN(C)c1nc(-c2c(F)ccc([O-])c2F)ncc1C ZINC001241291028 780760934 /nfs/dbraw/zinc/76/09/34/780760934.db2.gz UHQAOOMOZJQZMK-UHFFFAOYSA-N -1 1 279.290 2.892 20 0 CFADMM [O-]c1ccc(F)c(-c2ncnc3scnc32)c1F ZINC001241291914 780763198 /nfs/dbraw/zinc/76/31/98/780763198.db2.gz XRRMLLJXJASZHF-UHFFFAOYSA-N -1 1 265.244 2.737 20 0 CFADMM O=C([O-])CC[C@@H]1CCCCN1Cc1ccc(Cl)cn1 ZINC000703879026 781071950 /nfs/dbraw/zinc/07/19/50/781071950.db2.gz MQKIXMULFZOQJY-ZDUSSCGKSA-N -1 1 282.771 2.954 20 0 CFADMM CN(C)Cc1ccc(-c2cc(F)cc(C(=O)[O-])c2)nc1 ZINC001241824349 781146031 /nfs/dbraw/zinc/14/60/31/781146031.db2.gz VPESMEXRWZFKNX-UHFFFAOYSA-N -1 1 274.295 2.648 20 0 CFADMM O=C([O-])c1cc(F)cc(-c2cccc3cncn32)c1 ZINC001241834841 781149274 /nfs/dbraw/zinc/14/92/74/781149274.db2.gz ZYPDINGSQXHOLF-UHFFFAOYSA-N -1 1 256.236 2.839 20 0 CFADMM O=C([O-])c1cc(F)cc(-c2cccn3cncc23)c1 ZINC001241835225 781149411 /nfs/dbraw/zinc/14/94/11/781149411.db2.gz FTBKNOARSYSHFE-UHFFFAOYSA-N -1 1 256.236 2.839 20 0 CFADMM COC(=O)c1cncc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242126607 781293493 /nfs/dbraw/zinc/29/34/93/781293493.db2.gz OHYJXMXNQLJWGY-UHFFFAOYSA-N -1 1 298.220 2.655 20 0 CFADMM CN(C)c1nccc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242131516 781294923 /nfs/dbraw/zinc/29/49/23/781294923.db2.gz MHFHTKNULNRUBZ-UHFFFAOYSA-N -1 1 283.253 2.934 20 0 CFADMM O=C1Cc2ccnc(-c3ccc([O-])c(C(F)(F)F)c3)c2N1 ZINC001242151668 781304050 /nfs/dbraw/zinc/30/40/50/781304050.db2.gz TWKUBOBPYOGQDG-UHFFFAOYSA-N -1 1 294.232 2.968 20 0 CFADMM C[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000709339765 781309901 /nfs/dbraw/zinc/30/99/01/781309901.db2.gz HXWPWAMBQHOMOE-GFCCVEGCSA-N -1 1 291.244 2.946 20 0 CFADMM O=c1c(-c2ccc(F)cc2[O-])ccnn1Cc1ccccc1 ZINC001242219519 781334636 /nfs/dbraw/zinc/33/46/36/781334636.db2.gz JFIROXFONPBHOM-UHFFFAOYSA-N -1 1 296.301 2.803 20 0 CFADMM COC(=O)c1ccc(OC)cc1-c1ccc(F)cc1[O-] ZINC001242221738 781336331 /nfs/dbraw/zinc/33/63/31/781336331.db2.gz WSCUJSLYGVDUIS-UHFFFAOYSA-N -1 1 276.263 2.994 20 0 CFADMM COC(=O)c1nc2ccc(C3=CCC(F)(F)CC3)[n-]c-2n1 ZINC001242232910 781338435 /nfs/dbraw/zinc/33/84/35/781338435.db2.gz TVRVNMWRZTXVIO-UHFFFAOYSA-N -1 1 293.273 2.947 20 0 CFADMM Cc1cc2[nH]ncc2cc1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001242285762 781369380 /nfs/dbraw/zinc/36/93/80/781369380.db2.gz WENGRIOMQWXVCY-UHFFFAOYSA-N -1 1 288.328 2.785 20 0 CFADMM COc1cnc(-c2cccc(C)c2[O-])nc1NC(C)C ZINC001242343580 781416221 /nfs/dbraw/zinc/41/62/21/781416221.db2.gz ZGBSOQJMTLKSJD-UHFFFAOYSA-N -1 1 273.336 2.987 20 0 CFADMM O=c1ccc(-c2cccc(F)c2[O-])nn1Cc1ccccc1 ZINC001242352227 781425036 /nfs/dbraw/zinc/42/50/36/781425036.db2.gz BUNLSCBSGIBYJA-UHFFFAOYSA-N -1 1 296.301 2.803 20 0 CFADMM O=c1cc(-c2cccc(F)c2[O-])cnn1-c1ccccc1 ZINC001242352652 781426812 /nfs/dbraw/zinc/42/68/12/781426812.db2.gz LWNKJWNVSJDLOV-UHFFFAOYSA-N -1 1 282.274 2.744 20 0 CFADMM CC[C@@H]1COC(C)(C)CN1Cc1cc(C(=O)[O-])cs1 ZINC000711407899 781428145 /nfs/dbraw/zinc/42/81/45/781428145.db2.gz SGAPQKXWKJNMJE-LLVKDONJSA-N -1 1 283.393 2.836 20 0 CFADMM O=c1c(-c2cccc(F)c2[O-])ccnn1-c1ccccc1 ZINC001242354231 781428484 /nfs/dbraw/zinc/42/84/84/781428484.db2.gz USWHCJHCIVRJNE-UHFFFAOYSA-N -1 1 282.274 2.744 20 0 CFADMM CN1Cc2cc(-c3cccc(Cl)c3[O-])cnc2C1=O ZINC001242364346 781437393 /nfs/dbraw/zinc/43/73/93/781437393.db2.gz ITDJQVKFUIWOIT-UHFFFAOYSA-N -1 1 274.707 2.693 20 0 CFADMM Cc1cc(-c2cccc(Cl)c2[O-])ccc1S(N)(=O)=O ZINC001242366678 781438888 /nfs/dbraw/zinc/43/88/88/781438888.db2.gz CKIYWXWZKZLUEX-UHFFFAOYSA-N -1 1 297.763 2.668 20 0 CFADMM COc1ccc(C(=O)[O-])cc1-c1cccc2nc[nH]c21 ZINC001242390487 781458976 /nfs/dbraw/zinc/45/89/76/781458976.db2.gz PDQBYSXYOUIZEQ-UHFFFAOYSA-N -1 1 268.272 2.937 20 0 CFADMM O=C(NC[C@@H]1C=CCC1)c1ccc(Br)c([O-])c1 ZINC000711764716 781470627 /nfs/dbraw/zinc/47/06/27/781470627.db2.gz AXDYUHVNVHSYPV-SECBINFHSA-N -1 1 296.164 2.851 20 0 CFADMM COc1cc(OC)nc(-c2cccc([O-])c2Cl)n1 ZINC001242798004 781764431 /nfs/dbraw/zinc/76/44/31/781764431.db2.gz PQSAVKVSCLVBNG-UHFFFAOYSA-N -1 1 266.684 2.520 20 0 CFADMM COc1nc(-c2cccc([O-])c2Cl)cn2ccnc12 ZINC001242800357 781765987 /nfs/dbraw/zinc/76/59/87/781765987.db2.gz GXNAUBYUFFFCDJ-UHFFFAOYSA-N -1 1 275.695 2.764 20 0 CFADMM C[S@](=O)c1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242802089 781766808 /nfs/dbraw/zinc/76/68/08/781766808.db2.gz QFWWCYHPKULIRO-KRWDZBQOSA-N -1 1 267.737 2.845 20 0 CFADMM CCOc1nccc(-c2cccc([O-])c2Cl)n1 ZINC001242801834 781767356 /nfs/dbraw/zinc/76/73/56/781767356.db2.gz YHDWMALUIAEOLS-UHFFFAOYSA-N -1 1 250.685 2.901 20 0 CFADMM O=C(c1ccccc1-c1cccc([S-])c1)N1CCNCC1 ZINC001242867382 781812563 /nfs/dbraw/zinc/81/25/63/781812563.db2.gz LIHGZKPLDAESQD-UHFFFAOYSA-N -1 1 298.411 2.688 20 0 CFADMM COc1c(C(=O)[O-])cccc1-c1cccc2cncn21 ZINC001242924241 781845798 /nfs/dbraw/zinc/84/57/98/781845798.db2.gz NSABWGJEYDLJKE-UHFFFAOYSA-N -1 1 268.272 2.708 20 0 CFADMM CC[C@@H](CSC)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000124341532 187133528 /nfs/dbraw/zinc/13/35/28/187133528.db2.gz XDWWMLZLZYWYKB-JTQLQIEISA-N -1 1 271.357 2.745 20 0 CFADMM CSC[C@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000124571175 187143542 /nfs/dbraw/zinc/14/35/42/187143542.db2.gz MRFORHWIFSHBKB-ZETCQYMHSA-N -1 1 259.758 2.527 20 0 CFADMM O=C([O-])[C@@H]1CCCN1Cc1cc(Cl)ccc1F ZINC000082567671 178098605 /nfs/dbraw/zinc/09/86/05/178098605.db2.gz PRUJARFCGANSEX-NSHDSACASA-N -1 1 257.692 2.528 20 0 CFADMM CS[C@H]1CCC[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000125151564 187172515 /nfs/dbraw/zinc/17/25/15/187172515.db2.gz REJCCKSYZGNUKZ-UWVGGRQHSA-N -1 1 283.368 2.935 20 0 CFADMM C[C@H]1CC[C@H](NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000289343845 290636426 /nfs/dbraw/zinc/63/64/26/290636426.db2.gz IFCBLBCBBQVGGI-KYZUINATSA-N -1 1 269.291 2.979 20 0 CFADMM C[C@@]1(C(=O)[O-])CCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000069997062 346904369 /nfs/dbraw/zinc/90/43/69/346904369.db2.gz NZHXLSQKVGZNAJ-MRXNPFEDSA-N -1 1 291.395 2.685 20 0 CFADMM CCOc1cc(C(=O)NC2CC(C)C2)cc(Cl)c1[O-] ZINC000273893236 192352814 /nfs/dbraw/zinc/35/28/14/192352814.db2.gz VYRJTQSSKAKQNQ-UHFFFAOYSA-N -1 1 283.755 2.973 20 0 CFADMM CCc1nc(CNCc2cccc(C)c2)ccc1C(=O)[O-] ZINC000426637966 529740340 /nfs/dbraw/zinc/74/03/40/529740340.db2.gz NZYWRAMMFJCIRJ-UHFFFAOYSA-N -1 1 284.359 2.940 20 0 CFADMM O=C([N-]CC(F)F)C(F)(F)c1cccc(Cl)c1 ZINC000073165904 346964210 /nfs/dbraw/zinc/96/42/10/346964210.db2.gz PYWVWWJHWIVMQL-UHFFFAOYSA-N -1 1 269.625 2.813 20 0 CFADMM CC(C)OCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000127048334 187278567 /nfs/dbraw/zinc/27/85/67/187278567.db2.gz RIHHJCUMSJHRAU-UHFFFAOYSA-N -1 1 282.287 2.718 20 0 CFADMM C[C@H]1CCc2c(sc3[n-]c(-c4ccon4)nc(=O)c23)C1 ZINC000074797440 347035615 /nfs/dbraw/zinc/03/56/15/347035615.db2.gz PKCQEODEZILXLP-ZETCQYMHSA-N -1 1 287.344 2.764 20 0 CFADMM O=C(NC1(C(F)(F)F)CC1)c1cc(Cl)ccc1[O-] ZINC000229118110 539441676 /nfs/dbraw/zinc/44/16/76/539441676.db2.gz UTAZZTIKPLOZFQ-UHFFFAOYSA-N -1 1 279.645 2.870 20 0 CFADMM Cc1ccc(CC(=O)Nc2c([O-])cccc2F)cc1O ZINC000089442126 539460562 /nfs/dbraw/zinc/46/05/62/539460562.db2.gz OJBUYGIOWQFTFT-UHFFFAOYSA-N -1 1 275.279 2.727 20 0 CFADMM O=C(Nc1ccc2[nH]ccc2c1)c1ccc(O)cc1[O-] ZINC000179410482 232396846 /nfs/dbraw/zinc/39/68/46/232396846.db2.gz ITDCKFCWSBYGQP-UHFFFAOYSA-N -1 1 268.272 2.831 20 0 CFADMM CCCCS[C@H](C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000050603341 346496132 /nfs/dbraw/zinc/49/61/32/346496132.db2.gz MLBASVICCDOYSV-ZCFIWIBFSA-N -1 1 296.318 2.684 20 0 CFADMM CCCCS[C@@H](C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000050603337 346496271 /nfs/dbraw/zinc/49/62/71/346496271.db2.gz MLBASVICCDOYSV-LURJTMIESA-N -1 1 296.318 2.684 20 0 CFADMM Cc1ccc(CN[C@]2(C(=O)[O-])CCc3ccccc3C2)o1 ZINC000053043376 346536653 /nfs/dbraw/zinc/53/66/53/346536653.db2.gz WUMANICFPMUQEA-QGZVFWFLSA-N -1 1 285.343 2.690 20 0 CFADMM CN(Cc1ccc(C(=O)[O-])cc1F)C[C@H]1CCCCO1 ZINC000062753722 346691925 /nfs/dbraw/zinc/69/19/25/346691925.db2.gz HLYNQEQVIALDON-CYBMUJFWSA-N -1 1 281.327 2.525 20 0 CFADMM CCC(CC)n1ccc(CN(CCC(=O)[O-])C(C)C)n1 ZINC000069996926 539557757 /nfs/dbraw/zinc/55/77/57/539557757.db2.gz KRNORZSIVWJJOW-UHFFFAOYSA-N -1 1 281.400 2.929 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2ncc(CC)o2)n1 ZINC000078929245 347279574 /nfs/dbraw/zinc/27/95/74/347279574.db2.gz UMIAISBMFALCIQ-UHFFFAOYSA-N -1 1 279.365 2.565 20 0 CFADMM O=C([O-])C[C@H]1CN(Cc2ccc3ccccc3c2)CCO1 ZINC000091298666 347582323 /nfs/dbraw/zinc/58/23/23/347582323.db2.gz SXUUIWNHAZDOTM-INIZCTEOSA-N -1 1 285.343 2.515 20 0 CFADMM CC(C)c1nsc([N-]c2cnn(C[C@H]3CCCO3)c2)n1 ZINC000092612634 347635109 /nfs/dbraw/zinc/63/51/09/347635109.db2.gz BSBSBQVHIJUVFC-LLVKDONJSA-N -1 1 293.396 2.781 20 0 CFADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1coc(-c2cccs2)n1 ZINC000092925899 347652172 /nfs/dbraw/zinc/65/21/72/347652172.db2.gz LDRZTUJGKSVBQX-ONGXEEELSA-N -1 1 292.360 2.698 20 0 CFADMM COC[C@@H]([N-]c1nc(C(C)C)no1)c1ccccc1 ZINC000091981817 347605540 /nfs/dbraw/zinc/60/55/40/347605540.db2.gz YPXQHXYCMMJUHF-GFCCVEGCSA-N -1 1 261.325 2.993 20 0 CFADMM Cc1cc2c[nH]nc2cc1NC(=O)c1cc(F)ccc1[O-] ZINC000094101112 347691241 /nfs/dbraw/zinc/69/12/41/347691241.db2.gz ZDNRNWYIIVUBFI-UHFFFAOYSA-N -1 1 285.278 2.968 20 0 CFADMM Cc1ccccc1CN(C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762312 347696248 /nfs/dbraw/zinc/69/62/48/347696248.db2.gz RGWMIPFMVPEVQU-UHFFFAOYSA-N -1 1 270.332 2.720 20 0 CFADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000112335268 347760176 /nfs/dbraw/zinc/76/01/76/347760176.db2.gz AWKHAQZACHNJPK-UHFFFAOYSA-N -1 1 287.344 2.672 20 0 CFADMM C[C@H](c1cccnc1)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000124635633 347825731 /nfs/dbraw/zinc/82/57/31/347825731.db2.gz JIUQVHKAJOKXQU-GFCCVEGCSA-N -1 1 282.343 2.899 20 0 CFADMM C[C@H](c1cccnc1)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000124635633 347825732 /nfs/dbraw/zinc/82/57/32/347825732.db2.gz JIUQVHKAJOKXQU-GFCCVEGCSA-N -1 1 282.343 2.899 20 0 CFADMM COc1ccnc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000116469407 347786961 /nfs/dbraw/zinc/78/69/61/347786961.db2.gz PVBOPEYIQFCATL-UHFFFAOYSA-N -1 1 278.695 2.702 20 0 CFADMM CC(=O)Nc1ccc([O-])c(-c2nc(C(C)C)no2)c1 ZINC000130470572 347871242 /nfs/dbraw/zinc/87/12/42/347871242.db2.gz SKKZNOVJERRGRR-UHFFFAOYSA-N -1 1 261.281 2.524 20 0 CFADMM CS[C@@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1F ZINC000228853606 348198152 /nfs/dbraw/zinc/19/81/52/348198152.db2.gz UWUFCPLOBQUUBP-ZYHUDNBSSA-N -1 1 283.368 2.935 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@]2(C)CCC[C@@H]2C)c1 ZINC000451660283 383678118 /nfs/dbraw/zinc/67/81/18/383678118.db2.gz FKESTQMPIWGYCB-MGPLVRAMSA-N -1 1 291.347 2.944 20 0 CFADMM CCC[C@H](NC(=O)C[C@H](C)CC(C)(C)C)c1nn[n-]n1 ZINC000675144120 539652293 /nfs/dbraw/zinc/65/22/93/539652293.db2.gz HIXZHDFKTITAFN-QWRGUYRKSA-N -1 1 281.404 2.620 20 0 CFADMM CCC[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)c1nn[n-]n1 ZINC000675144119 539652690 /nfs/dbraw/zinc/65/26/90/539652690.db2.gz HIXZHDFKTITAFN-MNOVXSKESA-N -1 1 281.404 2.620 20 0 CFADMM COC(=O)c1[n-]c(=NCc2csc(C)c2C)sc1C ZINC000399983478 348569926 /nfs/dbraw/zinc/56/99/26/348569926.db2.gz IIKBLQXGVWDPRA-UHFFFAOYSA-N -1 1 296.417 2.950 20 0 CFADMM C[C@H](CN(C)Cc1nc2ccccc2n1C(F)F)C(=O)[O-] ZINC000584785513 348715537 /nfs/dbraw/zinc/71/55/37/348715537.db2.gz LARKQHYOEZSNPW-SECBINFHSA-N -1 1 297.305 2.584 20 0 CFADMM CCOc1cc(C(=O)N(C)C2CC2)cc(Cl)c1[O-] ZINC000273950235 192375620 /nfs/dbraw/zinc/37/56/20/192375620.db2.gz MIEIILNFKGVOHQ-UHFFFAOYSA-N -1 1 269.728 2.679 20 0 CFADMM CC(C)c1cc(C(=O)Nc2c([O-])cccc2F)no1 ZINC000092551056 539680338 /nfs/dbraw/zinc/68/03/38/539680338.db2.gz JWOQKZDCCQCSIG-UHFFFAOYSA-N -1 1 264.256 2.895 20 0 CFADMM CC(=O)Nc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000591726488 349040399 /nfs/dbraw/zinc/04/03/99/349040399.db2.gz NYJZAMZVKZUCRD-UHFFFAOYSA-N -1 1 297.289 2.688 20 0 CFADMM CCOc1cc(C(=O)NC[C@@H]2C[C@H]2C)cc(Cl)c1[O-] ZINC000273993309 192393482 /nfs/dbraw/zinc/39/34/82/192393482.db2.gz XRJPCNDJAMYDEI-SCZZXKLOSA-N -1 1 283.755 2.830 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)c2cccc(C3CC3)c2)n1 ZINC000594019694 349354928 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CFADMM CCc1nc(CC(=O)Nc2nc(Cl)ccc2[O-])cs1 ZINC000188372515 382401231 /nfs/dbraw/zinc/40/12/31/382401231.db2.gz IPRZIQAVMNSVGG-UHFFFAOYSA-N -1 1 297.767 2.641 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](O)C12CCCC2 ZINC000294080176 382407958 /nfs/dbraw/zinc/40/79/58/382407958.db2.gz ICVKPCLWOPOMKC-CYBMUJFWSA-N -1 1 295.766 2.565 20 0 CFADMM COC(=O)[C@@H](CC(C)C)N=c1nc(C2CCCC2)[n-]s1 ZINC000420581574 382410273 /nfs/dbraw/zinc/41/02/73/382410273.db2.gz HKEPYDDAIOMMNC-LLVKDONJSA-N -1 1 297.424 2.617 20 0 CFADMM C[C@H]1C[C@H](N=c2nc(C3CCCC3)[n-]s2)CN1C1CC1 ZINC000420599336 382418992 /nfs/dbraw/zinc/41/89/92/382418992.db2.gz LETBIOGGGJGHCB-JQWIXIFHSA-N -1 1 292.452 2.655 20 0 CFADMM CC(C)C[C@H]1CCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000307808477 382469331 /nfs/dbraw/zinc/46/93/31/382469331.db2.gz HBCBVZZXFAZMKN-SNVBAGLBSA-N -1 1 268.382 2.709 20 0 CFADMM C[C@@H]1CN(Cc2ccsc2Cl)CC[C@@H]1C(=O)[O-] ZINC000308356275 382475429 /nfs/dbraw/zinc/47/54/29/382475429.db2.gz MNYDKZSPURQMCY-SCZZXKLOSA-N -1 1 273.785 2.944 20 0 CFADMM C[C@H]1CC[C@@H]1NC(=O)c1cc(Br)ccc1[O-] ZINC000309430744 382488992 /nfs/dbraw/zinc/48/89/92/382488992.db2.gz LVJWOFQHSFXJQE-XVKPBYJWSA-N -1 1 284.153 2.683 20 0 CFADMM COCC(C)(C)N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000311220192 382501612 /nfs/dbraw/zinc/50/16/12/382501612.db2.gz OWCQVPGVQGVMKO-UHFFFAOYSA-N -1 1 271.744 2.543 20 0 CFADMM CCC1(NC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000379719731 382508263 /nfs/dbraw/zinc/50/82/63/382508263.db2.gz WKJUKZPYXSLOAU-UHFFFAOYSA-N -1 1 284.153 2.827 20 0 CFADMM CC(C)c1nc(=NCCc2cccc3cccnc32)o[n-]1 ZINC000346862220 382548840 /nfs/dbraw/zinc/54/88/40/382548840.db2.gz CLQUQCHZIVHFME-UHFFFAOYSA-N -1 1 282.347 2.818 20 0 CFADMM C[C@]1(C(=O)[O-])CCCN(Cc2ccn(-c3ccccc3)n2)C1 ZINC000387942630 382602507 /nfs/dbraw/zinc/60/25/07/382602507.db2.gz FMLWBHJHQOKGGQ-KRWDZBQOSA-N -1 1 299.374 2.559 20 0 CFADMM CCCNC(=O)CN(CCC)Cc1cccc([O-])c1Cl ZINC000295319104 382615486 /nfs/dbraw/zinc/61/54/86/382615486.db2.gz LDZSQHGJRWYJCH-UHFFFAOYSA-N -1 1 298.814 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ZINC000634622520 383281081 /nfs/dbraw/zinc/28/10/81/383281081.db2.gz HKETUZXDVPXQOD-NSHDSACASA-N -1 1 282.290 2.533 20 0 CFADMM CN(C)c1ccccc1Cn1[n-]c2c(c1=O)CCCC2 ZINC000634595565 383257157 /nfs/dbraw/zinc/25/71/57/383257157.db2.gz GHLMVBIRUBXZOO-ZDUSSCGKSA-N -1 1 271.364 2.641 20 0 CFADMM COc1ccc(Cn2[n-]c3c(c2=O)C[C@@H](C)CC3)cc1 ZINC000634597941 383259236 /nfs/dbraw/zinc/25/92/36/383259236.db2.gz ZOKLPRGZSABMIX-FZMZJTMJSA-N -1 1 272.348 2.830 20 0 CFADMM C[C@H]1CCC2=NN(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000634598801 383260114 /nfs/dbraw/zinc/26/01/14/383260114.db2.gz SMEKTUHXOFCAON-JOYOIKCWSA-N -1 1 272.304 2.524 20 0 CFADMM C[C@H]1CCc2[nH]n(-c3cccc(C(=O)[O-])c3)c(=O)c2C1 ZINC000634598801 383260119 /nfs/dbraw/zinc/26/01/19/383260119.db2.gz SMEKTUHXOFCAON-JOYOIKCWSA-N -1 1 272.304 2.524 20 0 CFADMM CC(C)[C@@H]1CCc2[n-]n(CCc3ccncc3)c(=O)c2C1 ZINC000634599243 383260127 /nfs/dbraw/zinc/26/01/27/383260127.db2.gz DMEBVIFOZIAELD-CABCVRRESA-N -1 1 285.391 2.895 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3ccnc4ccccc43)c(=O)c21 ZINC000634603341 383265191 /nfs/dbraw/zinc/26/51/91/383265191.db2.gz WUIRCVXGQGAHJA-BONVTDFDSA-N -1 1 265.316 2.984 20 0 CFADMM C[C@H]1CCc2c(=O)n(CCCOc3ccccc3)[n-]c21 ZINC000634603269 383265616 /nfs/dbraw/zinc/26/56/16/383265616.db2.gz USGNSEFSRUJECU-JSGCOSHPSA-N -1 1 272.348 2.700 20 0 CFADMM C[C@@H]1CCc2[n-]n(CC(F)(F)C(F)(F)F)c(=O)c2C1 ZINC000634605004 383266411 /nfs/dbraw/zinc/26/64/11/383266411.db2.gz YHYOPEMQGBVEJR-RQJHMYQMSA-N -1 1 284.228 2.818 20 0 CFADMM CCc1[n-]n(-c2nc3ccccc3c(=O)[nH]2)c(=O)c1C(C)C ZINC000634606529 383268271 /nfs/dbraw/zinc/26/82/71/383268271.db2.gz VCGZLZQZWXIVJW-CYBMUJFWSA-N -1 1 298.346 2.720 20 0 CFADMM CCc1c(=O)n(-c2ncncc2F)[n-]c1-c1cccc(C)c1 ZINC000634607309 383268585 /nfs/dbraw/zinc/26/85/85/383268585.db2.gz TYENBIHYJSEOLE-LBPRGKRZSA-N -1 1 298.321 2.701 20 0 CFADMM CCc1c(C)[n-]n(-c2cc(C(F)(F)F)ccn2)c1=O ZINC000634608644 383269173 /nfs/dbraw/zinc/26/91/73/383269173.db2.gz IURPAKRXEPXDPD-SECBINFHSA-N -1 1 271.242 2.849 20 0 CFADMM O=c1c2c([n-]n1CCc1ccccn1)CCCCCC2 ZINC000634614559 383274118 /nfs/dbraw/zinc/27/41/18/383274118.db2.gz GGERKIWPJWBZNS-AWEZNQCLSA-N -1 1 271.364 2.793 20 0 CFADMM COc1ccc(CCn2[n-]c3c(c2=O)C[C@@H](C)CC3)cc1 ZINC000634612991 383274361 /nfs/dbraw/zinc/27/43/61/383274361.db2.gz MLAQKADCXJKTBW-SWLSCSKDSA-N -1 1 286.375 2.872 20 0 CFADMM COc1cc(F)cc(-n2[n-]c(C)c(C3CC3)c2=O)c1 ZINC000634618002 383277573 /nfs/dbraw/zinc/27/75/73/383277573.db2.gz CZHHGNWWTHBUIY-CYBMUJFWSA-N -1 1 262.284 2.583 20 0 CFADMM CCc1c(=O)n(-c2cnn(C)c2)[n-]c1-c1cccc(C)c1 ZINC000634623586 383282238 /nfs/dbraw/zinc/28/22/38/383282238.db2.gz KCDIHBUFBDHLCC-CQSZACIVSA-N -1 1 282.347 2.506 20 0 CFADMM CCCCc1cc(=O)n(-c2ccc(C(=O)[O-])cc2F)[nH]1 ZINC000634619432 383279344 /nfs/dbraw/zinc/27/93/44/383279344.db2.gz YVIBTFXWWCWLPJ-UHFFFAOYSA-N -1 1 278.283 2.807 20 0 CFADMM O=c1c2c([n-]n1CCOCC(F)(F)F)CCCCCC2 ZINC000634619588 383279384 /nfs/dbraw/zinc/27/93/84/383279384.db2.gz DDIHTRLJRXYCIL-SNVBAGLBSA-N -1 1 292.301 2.734 20 0 CFADMM CCCc1[n-]n(CCOCC(F)(F)F)c(=O)c1CC ZINC000634619469 383279453 /nfs/dbraw/zinc/27/94/53/383279453.db2.gz ZXSZAZTYTBFCJW-SECBINFHSA-N -1 1 280.290 2.590 20 0 CFADMM C[C@H](CN1CCc2c(cccc2C(=O)[O-])C1)C(F)(F)F ZINC000567125249 383244993 /nfs/dbraw/zinc/24/49/93/383244993.db2.gz IBVMRUIXUPFYNI-SECBINFHSA-N -1 1 287.281 2.941 20 0 CFADMM COc1cc(F)ccc1-n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000634624651 383284000 /nfs/dbraw/zinc/28/40/00/383284000.db2.gz MSYFAPDNCPAQBV-SDBXPKJASA-N -1 1 262.284 2.583 20 0 CFADMM CC(C)[C@@H]1CCc2[n-]n([C@H]3CCSC3)c(=O)c2C1 ZINC000634627571 383285598 /nfs/dbraw/zinc/28/55/98/383285598.db2.gz GDJIODGAJMDRTH-GRYCIOLGSA-N -1 1 266.410 2.762 20 0 CFADMM C[C@H](c1ccncc1)n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634626390 383286296 /nfs/dbraw/zinc/28/62/96/383286296.db2.gz DBNVRXCLNXLFOV-NQBHXWOUSA-N -1 1 257.337 2.777 20 0 CFADMM CCc1c(C(C)C)[n-]n(C[C@H]2CCSC2)c1=O ZINC000634628563 383287001 /nfs/dbraw/zinc/28/70/01/383287001.db2.gz AGZVZHUUZAXGNI-GHMZBOCLSA-N -1 1 254.399 2.620 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3cc(F)cc(F)c3F)c(=O)c21 ZINC000634632931 383291967 /nfs/dbraw/zinc/29/19/67/383291967.db2.gz DZWNSMNFUWSICM-KSBSHMNSSA-N -1 1 268.238 2.853 20 0 CFADMM CC[C@H](C)c1cc(=O)n(-c2cccc(C(=O)[O-])c2C)[nH]1 ZINC000634633136 383292087 /nfs/dbraw/zinc/29/20/87/383292087.db2.gz LDRZZCKUDKFKCV-VIFPVBQESA-N -1 1 274.320 2.832 20 0 CFADMM COc1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)cc(Cl)c1[O-] ZINC000567715363 383306992 /nfs/dbraw/zinc/30/69/92/383306992.db2.gz MYQOGNQIJFBCBR-DIYOJNKTSA-N -1 1 281.739 2.583 20 0 CFADMM C[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C[C@@H]1C(=O)[O-] ZINC000567856324 383322774 /nfs/dbraw/zinc/32/27/74/383322774.db2.gz HSQMYRGWBGAZPV-MNOVXSKESA-N -1 1 290.388 2.839 20 0 CFADMM Cc1ccc(-c2nc(CN(C)C[C@H](C)C(=O)[O-])cs2)o1 ZINC000568400437 383398409 /nfs/dbraw/zinc/39/84/09/383398409.db2.gz BUPJQLJNLCLLLO-VIFPVBQESA-N -1 1 294.376 2.864 20 0 CFADMM CCOC(=O)c1nc(C)[nH]c1NC(=O)CC1=CCCCC1 ZINC000525663885 383403063 /nfs/dbraw/zinc/40/30/63/383403063.db2.gz IXKUWTNABQZHMF-UHFFFAOYSA-N -1 1 291.351 2.724 20 0 CFADMM Oc1cc(F)cc(C[N@H+]2CCSC[C@H]2C2CC2)c1 ZINC000449529301 383353986 /nfs/dbraw/zinc/35/39/86/383353986.db2.gz WEUSESKLQISFQR-AWEZNQCLSA-N -1 1 267.369 2.859 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1ncoc1[C@H]1CCCO1 ZINC000340330963 383414646 /nfs/dbraw/zinc/41/46/46/383414646.db2.gz WQTZTRGXXPNTPV-LLVKDONJSA-N -1 1 292.266 2.623 20 0 CFADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000568663854 383424922 /nfs/dbraw/zinc/42/49/22/383424922.db2.gz DJRZIBJVPSEBNZ-WCQYABFASA-N -1 1 285.290 2.763 20 0 CFADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000568663856 383425080 /nfs/dbraw/zinc/42/50/80/383425080.db2.gz DJRZIBJVPSEBNZ-YPMHNXCESA-N -1 1 285.290 2.763 20 0 CFADMM O=C(N[C@H]1CC[C@H](O)CC1)c1ccc2ccccc2c1[O-] ZINC000252740229 383432360 /nfs/dbraw/zinc/43/23/60/383432360.db2.gz MDPWPSCRCGCSNB-JOCQHMNTSA-N -1 1 285.343 2.579 20 0 CFADMM O=C(c1ncccc1[O-])N1CCCC2(CCCC2)C1 ZINC000526121847 383434036 /nfs/dbraw/zinc/43/40/36/383434036.db2.gz OFTPTZZIYVVMPB-UHFFFAOYSA-N -1 1 260.337 2.584 20 0 CFADMM O=C(NCCc1ccc(F)c(F)c1)c1c([O-])cccc1F ZINC000527054916 383448083 /nfs/dbraw/zinc/44/80/83/383448083.db2.gz VPZYYJPXCBRIGO-UHFFFAOYSA-N -1 1 295.260 2.782 20 0 CFADMM Cc1ccccc1-c1cnc(CN(C)C[C@H](C)C(=O)[O-])o1 ZINC000568891761 383448476 /nfs/dbraw/zinc/44/84/76/383448476.db2.gz XWERQBGCYMEJAS-LBPRGKRZSA-N -1 1 288.347 2.803 20 0 CFADMM CCOc1ccc(F)c([N-]C(=O)c2ocnc2C)c1F ZINC000340436593 383419064 /nfs/dbraw/zinc/41/90/64/383419064.db2.gz SNMKOVGNFZZGAV-UHFFFAOYSA-N -1 1 282.246 2.912 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N(C)[C@H]3CC3(C)C)cnc2n1 ZINC000429570025 383548892 /nfs/dbraw/zinc/54/88/92/383548892.db2.gz ACHWRDRUBIYZDA-LBPRGKRZSA-N -1 1 285.347 2.514 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)[C@H]1CC1(C)C)c2=O ZINC000429570025 383548897 /nfs/dbraw/zinc/54/88/97/383548897.db2.gz ACHWRDRUBIYZDA-LBPRGKRZSA-N -1 1 285.347 2.514 20 0 CFADMM Cc1noc(C)c1[N-]C(=O)c1c(C)onc1-c1ccncc1 ZINC000429367093 383523848 /nfs/dbraw/zinc/52/38/48/383523848.db2.gz ANUFMAJVTQUXTR-UHFFFAOYSA-N -1 1 298.302 2.902 20 0 CFADMM C[C@@H]1CCN(Cc2cc(C(=O)[O-])nn2C)[C@@H]2CCCC[C@H]12 ZINC000635299720 383526872 /nfs/dbraw/zinc/52/68/72/383526872.db2.gz WOCFECFPWAMVTB-UXIGCNINSA-N -1 1 291.395 2.519 20 0 CFADMM Cc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])nn2C)cc1 ZINC000635299636 383527158 /nfs/dbraw/zinc/52/71/58/383527158.db2.gz IWZWHRHVSOBTBH-MRXNPFEDSA-N -1 1 299.374 2.764 20 0 CFADMM CC[C@@H]1c2ccccc2CCN1Cc1cc(C(=O)[O-])nn1C ZINC000635303105 383527912 /nfs/dbraw/zinc/52/79/12/383527912.db2.gz RUXJCMAILXVJCV-MRXNPFEDSA-N -1 1 299.374 2.628 20 0 CFADMM CC(C)Nc1ccc(C(=O)Nc2ccc(F)cc2[O-])cn1 ZINC000488509342 383551609 /nfs/dbraw/zinc/55/16/09/383551609.db2.gz VJCILSJOFICOKX-UHFFFAOYSA-N -1 1 289.310 2.999 20 0 CFADMM CC1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000341037521 383539552 /nfs/dbraw/zinc/53/95/52/383539552.db2.gz VSHOONGRMQEIQN-UHFFFAOYSA-N -1 1 291.775 2.948 20 0 CFADMM CN(C)c1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000488539409 383557660 /nfs/dbraw/zinc/55/76/60/383557660.db2.gz UDTLPPMHYPARJZ-UHFFFAOYSA-N -1 1 274.295 2.850 20 0 CFADMM CS[C@@H]1CCCCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000570933953 383648463 /nfs/dbraw/zinc/64/84/63/383648463.db2.gz SLOWKRFQHZZVTK-SECBINFHSA-N -1 1 286.422 2.559 20 0 CFADMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000451437578 383615475 /nfs/dbraw/zinc/61/54/75/383615475.db2.gz UUXWVKGEAQFRAO-HTQZYQBOSA-N -1 1 279.814 2.868 20 0 CFADMM C[C@H](F)CCNC(=O)N=c1[n-]sc2ccccc21 ZINC000640338624 383765499 /nfs/dbraw/zinc/76/54/99/383765499.db2.gz FVTXDPXAMPMQHK-QMMMGPOBSA-N -1 1 267.329 2.588 20 0 CFADMM CC[C@H](NC(=O)N=c1[n-]sc2ccccc21)C(F)F ZINC000640339012 383765751 /nfs/dbraw/zinc/76/57/51/383765751.db2.gz IXKDEEALJQOPMS-QMMMGPOBSA-N -1 1 285.319 2.883 20 0 CFADMM C[C@@H]1CCN(C(=O)N=c2[n-]sc3ccccc32)C[C@H]1F ZINC000640340862 383766807 /nfs/dbraw/zinc/76/68/07/383766807.db2.gz APVRWELCAYUTIQ-MWLCHTKSSA-N 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ILTJWCVEEMDRAJ-UHFFFAOYSA-N -1 1 280.715 2.802 20 0 CFADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2cccnc2)n1 ZINC000436192305 383786965 /nfs/dbraw/zinc/78/69/65/383786965.db2.gz BYQBFRXWPSZAKU-VIFPVBQESA-N -1 1 261.350 2.993 20 0 CFADMM CCc1cc(=O)[n-]c(SCC(=O)CCC(C)C)n1 ZINC000436210431 383787996 /nfs/dbraw/zinc/78/79/96/383787996.db2.gz MWMSTJLBKNBMTM-UHFFFAOYSA-N -1 1 268.382 2.842 20 0 CFADMM CCc1cc(=O)[n-]c(S[C@@H](CC)C(=O)OC(C)(C)C)n1 ZINC000436208759 383788637 /nfs/dbraw/zinc/78/86/37/383788637.db2.gz JVWXUFLUBFEDDN-JTQLQIEISA-N -1 1 298.408 2.957 20 0 CFADMM CCc1cc(=O)[n-]c(SCCCc2ccncc2)n1 ZINC000436206661 383788679 /nfs/dbraw/zinc/78/86/79/383788679.db2.gz GSJWRGDLUNZQTB-UHFFFAOYSA-N -1 1 275.377 2.865 20 0 CFADMM O=S(=O)([N-]CC1CCC1)c1cc2ccccc2o1 ZINC000530771107 383791029 /nfs/dbraw/zinc/79/10/29/383791029.db2.gz XBIZEANWQBGVEF-UHFFFAOYSA-N -1 1 265.334 2.511 20 0 CFADMM CO[C@@H]1CCCC[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000645926939 383797237 /nfs/dbraw/zinc/79/72/37/383797237.db2.gz 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ZINC000681050163 542404435 /nfs/dbraw/zinc/40/44/35/542404435.db2.gz SGISFSTZRYJUJA-UHFFFAOYSA-N -1 1 277.299 2.636 20 0 CFADMM CCn1nc(C)c(NC(=O)c2ccc([O-])c(F)c2)c1C ZINC000681049506 542404553 /nfs/dbraw/zinc/40/45/53/542404553.db2.gz BUEGVLSTSNJDQY-UHFFFAOYSA-N -1 1 277.299 2.617 20 0 CFADMM CC(C)C1(CNC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681054568 542405199 /nfs/dbraw/zinc/40/51/99/542405199.db2.gz VPXKWHIYKBJKDY-UHFFFAOYSA-N -1 1 251.301 2.697 20 0 CFADMM CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000681054770 542405320 /nfs/dbraw/zinc/40/53/20/542405320.db2.gz BPAPPENSKRPLTC-SWLSCSKDSA-N -1 1 295.354 2.712 20 0 CFADMM Cc1cc(F)ccc1CCNC(=O)c1ccc([O-])c(F)c1 ZINC000681054257 542405395 /nfs/dbraw/zinc/40/53/95/542405395.db2.gz JZONOACXPMFVIO-UHFFFAOYSA-N -1 1 291.297 2.951 20 0 CFADMM CC[C@H]1CCC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681055405 542405582 /nfs/dbraw/zinc/40/55/82/542405582.db2.gz IAPHYBFKBUIMIP-JOYOIKCWSA-N -1 1 251.301 2.840 20 0 CFADMM CCc1cccnc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681089229 542409411 /nfs/dbraw/zinc/40/94/11/542409411.db2.gz FHELFRMGNOZSFV-UHFFFAOYSA-N -1 1 260.268 2.741 20 0 CFADMM CN(Cc1cccc(O)c1)C(=O)c1ccc([O-])c(F)c1 ZINC000681056161 542405871 /nfs/dbraw/zinc/40/58/71/542405871.db2.gz LKVRQEABBDQFML-UHFFFAOYSA-N -1 1 275.279 2.509 20 0 CFADMM O=C(N[C@H](CCO)C1CCCCC1)c1ccc([O-])c(F)c1 ZINC000681056504 542405906 /nfs/dbraw/zinc/40/59/06/542405906.db2.gz KOKSIWOPYRLXBZ-CQSZACIVSA-N -1 1 295.354 2.592 20 0 CFADMM CC[C@]1(C)CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681055641 542406284 /nfs/dbraw/zinc/40/62/84/542406284.db2.gz NUCKXJDAIPJJRW-CQSZACIVSA-N -1 1 251.301 2.794 20 0 CFADMM C[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc([O-])c(F)c1 ZINC000681057488 542406302 /nfs/dbraw/zinc/40/63/02/542406302.db2.gz SVQXPRGIHLGAFD-SNVBAGLBSA-N -1 1 289.306 2.598 20 0 CFADMM C[C@H](CN(C)C(=O)c1ccc([O-])c(F)c1)c1nccs1 ZINC000681069744 542407251 /nfs/dbraw/zinc/40/72/51/542407251.db2.gz JYNWGUZTCDLOJO-SECBINFHSA-N -1 1 294.351 2.864 20 0 CFADMM O=C(Nc1ccc2c(c1)COC2)c1ccc([O-])c(F)c1 ZINC000681067484 542407514 /nfs/dbraw/zinc/40/75/14/542407514.db2.gz YTFNCFTWYOQPTI-UHFFFAOYSA-N -1 1 273.263 2.814 20 0 CFADMM CO[C@H](CSc1nc(C)c(C)c(=O)[n-]1)CC(C)C ZINC000416902446 533193674 /nfs/dbraw/zinc/19/36/74/533193674.db2.gz DLTIQBYTGZDUHC-NSHDSACASA-N -1 1 270.398 2.952 20 0 CFADMM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ncccc1[O-] ZINC000681743004 542483939 /nfs/dbraw/zinc/48/39/39/542483939.db2.gz ALEZKHFGGSBCMV-IUCAKERBSA-N -1 1 288.269 2.590 20 0 CFADMM Cc1oc(CN2CCS[C@@H](C)[C@@H]2C)cc1C(=O)[O-] ZINC000133105842 413043466 /nfs/dbraw/zinc/04/34/66/413043466.db2.gz AZZPHZQMLVODKD-WPRPVWTQSA-N -1 1 269.366 2.612 20 0 CFADMM COc1cccc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)c1 ZINC000426782233 533516548 /nfs/dbraw/zinc/51/65/48/533516548.db2.gz FAFMTZYQLVUSJE-CQSZACIVSA-N -1 1 289.331 2.902 20 0 CFADMM FC(F)(F)c1nc(=NC[C@H]2CC=CCC2)s[n-]1 ZINC000341790384 130050617 /nfs/dbraw/zinc/05/06/17/130050617.db2.gz OQYBDIYBYNGCAF-ZETCQYMHSA-N -1 1 263.288 2.747 20 0 CFADMM CC(C)C[C@@]1(CO)CCCN1C(=O)c1ccc([O-])cc1F ZINC000191492483 130243962 /nfs/dbraw/zinc/24/39/62/130243962.db2.gz RCHQLOCIFRMGHU-MRXNPFEDSA-N -1 1 295.354 2.545 20 0 CFADMM CC(C)C[C@@]1(CO)CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000191524151 130250065 /nfs/dbraw/zinc/25/00/65/130250065.db2.gz TZRJSKCMRMRZLK-MRXNPFEDSA-N -1 1 295.354 2.545 20 0 CFADMM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000359935687 130565733 /nfs/dbraw/zinc/56/57/33/130565733.db2.gz GWCXOOBUACZIKS-VHSXEESVSA-N -1 1 289.347 2.679 20 0 CFADMM COC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000226654073 130831223 /nfs/dbraw/zinc/83/12/23/130831223.db2.gz UEXWJYFWQWLTEW-JTQLQIEISA-N -1 1 283.755 2.544 20 0 CFADMM C[C@@H]1CN(CCCCC(=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000248373371 131115117 /nfs/dbraw/zinc/11/51/17/131115117.db2.gz IJKRZJYSZNSCJQ-HIFRSBDPSA-N -1 1 277.364 2.703 20 0 CFADMM O=C(NC1CCC2(CC2)CC1)c1ccc([O-])c(F)c1 ZINC000683421543 542678249 /nfs/dbraw/zinc/67/82/49/542678249.db2.gz XTSGTTMQMOCWBU-UHFFFAOYSA-N -1 1 263.312 2.984 20 0 CFADMM O=C([O-])CCCCN1CCO[C@H](CCc2ccccc2)C1 ZINC000263571791 131298636 /nfs/dbraw/zinc/29/86/36/131298636.db2.gz JXHLFOYCIMQQRG-MRXNPFEDSA-N -1 1 291.391 2.575 20 0 CFADMM CSc1ccncc1[N-]C(=O)c1ccc(C(C)=O)o1 ZINC000683624623 542705222 /nfs/dbraw/zinc/70/52/22/542705222.db2.gz JXGZQPYDVVAEEL-UHFFFAOYSA-N -1 1 276.317 2.851 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1F ZINC000268467983 132013358 /nfs/dbraw/zinc/01/33/58/132013358.db2.gz HBWGKHCSFZQHAT-UHFFFAOYSA-N -1 1 295.339 2.535 20 0 CFADMM C[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])c2c(O)cccc21 ZINC000186309756 393543553 /nfs/dbraw/zinc/54/35/53/393543553.db2.gz WBGUFQOAMCLVLQ-JTQLQIEISA-N -1 1 299.326 2.957 20 0 CFADMM CC[C@@](C)(CNC(=O)c1ccc(Cl)cc1[O-])OC ZINC000323196467 393529298 /nfs/dbraw/zinc/52/92/98/393529298.db2.gz DVVJYXHMWFAFNW-ZDUSSCGKSA-N -1 1 271.744 2.591 20 0 CFADMM CC1=C[C@@H](C)CN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000334141938 393574226 /nfs/dbraw/zinc/57/42/26/393574226.db2.gz MERNFYAHPVFKDC-MRVPVSSYSA-N -1 1 267.275 2.709 20 0 CFADMM C[C@H]1CC[C@@H](CNC(=O)c2ccc([O-])c(F)c2)C1 ZINC000684512906 542821193 /nfs/dbraw/zinc/82/11/93/542821193.db2.gz IBORQVFYPVUKNC-VHSXEESVSA-N -1 1 251.301 2.697 20 0 CFADMM CN(Cc1cccc(Cl)c1)C(=O)c1ncccc1[O-] ZINC000048877953 393606517 /nfs/dbraw/zinc/60/65/17/393606517.db2.gz HGIPXTGVKCTMJE-UHFFFAOYSA-N -1 1 276.723 2.713 20 0 CFADMM C[C@H]1COCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000334203882 393579737 /nfs/dbraw/zinc/57/97/37/393579737.db2.gz RLIFEPQTRAGVLG-GFCCVEGCSA-N -1 1 285.343 2.654 20 0 CFADMM C[C@H](c1cccs1)N(C)C(=O)c1ncccc1[O-] ZINC000049716967 393613802 /nfs/dbraw/zinc/61/38/02/393613802.db2.gz UQFPXQQEAOPWEH-SECBINFHSA-N -1 1 262.334 2.682 20 0 CFADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000075491239 393673565 /nfs/dbraw/zinc/67/35/65/393673565.db2.gz FXRCWHVQIJBZCD-VXGBXAGGSA-N -1 1 299.374 2.986 20 0 CFADMM CSc1nsc([N-]C(=O)c2c(F)cccc2F)n1 ZINC000078713916 393710994 /nfs/dbraw/zinc/71/09/94/393710994.db2.gz OHYHHGVAIYZJJK-UHFFFAOYSA-N -1 1 287.316 2.791 20 0 CFADMM C[C@H](CCc1cccn1C)NC(=O)c1cc(F)ccc1[O-] ZINC000080031377 393723084 /nfs/dbraw/zinc/72/30/84/393723084.db2.gz NLCMABHCLOGLAW-LLVKDONJSA-N -1 1 290.338 2.621 20 0 CFADMM CCc1cnc(CNC(=O)c2ccc(Cl)cc2[O-])o1 ZINC000234207830 393782506 /nfs/dbraw/zinc/78/25/06/393782506.db2.gz WIDUSAVTKDJMNY-UHFFFAOYSA-N -1 1 280.711 2.526 20 0 CFADMM COCc1nc(CN2CCCC[C@@H]2CCC(=O)[O-])cs1 ZINC000424264990 393807221 /nfs/dbraw/zinc/80/72/21/393807221.db2.gz URBLPWFFWOTQNG-GFCCVEGCSA-N -1 1 298.408 2.509 20 0 CFADMM O=C(N[C@H]1CC12CC2)c1ccc(C(F)(F)F)cc1[O-] ZINC000424975951 393867752 /nfs/dbraw/zinc/86/77/52/393867752.db2.gz UOBSEIIBQSAMRE-JTQLQIEISA-N -1 1 271.238 2.693 20 0 CFADMM CO[C@@H](CC(C)C)C(=O)Nc1ccc(F)cc1[O-] ZINC000416182639 393883446 /nfs/dbraw/zinc/88/34/46/393883446.db2.gz VTJQCIXUTQLIIA-LBPRGKRZSA-N -1 1 255.289 2.531 20 0 CFADMM CC(C)(C)[C@H]1CCN(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000345729359 393915399 /nfs/dbraw/zinc/91/53/99/393915399.db2.gz YTTFUQVHHSHISK-JTQLQIEISA-N -1 1 293.436 2.648 20 0 CFADMM CC(C)CCN(C)C(=O)c1c(F)ccc([O-])c1F ZINC000684830901 542859986 /nfs/dbraw/zinc/85/99/86/542859986.db2.gz NYSUSOWEXWGLEE-UHFFFAOYSA-N -1 1 257.280 2.789 20 0 CFADMM CN(CCc1ccccc1)C(=O)c1c([O-])cccc1F ZINC000120082111 393929614 /nfs/dbraw/zinc/92/96/14/393929614.db2.gz CYYPCEKBWASBOS-UHFFFAOYSA-N -1 1 273.307 2.846 20 0 CFADMM COC(C)(C)CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000429114276 393939931 /nfs/dbraw/zinc/93/99/31/393939931.db2.gz LOCKLQBMUFHOMY-UHFFFAOYSA-N -1 1 289.335 2.536 20 0 CFADMM CSc1ccccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436764779 394022317 /nfs/dbraw/zinc/02/23/17/394022317.db2.gz NHSURRDGUBPQRB-UHFFFAOYSA-N -1 1 287.340 2.936 20 0 CFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)nc2)c1 ZINC000121279393 393953585 /nfs/dbraw/zinc/95/35/85/393953585.db2.gz IWMBPIHZLHRIKG-UHFFFAOYSA-N -1 1 276.361 2.808 20 0 CFADMM O=C(Nc1cccc(OCC(F)F)n1)c1ccccc1[O-] ZINC000436813435 394023400 /nfs/dbraw/zinc/02/34/00/394023400.db2.gz OXHVIZUNBVSKEP-UHFFFAOYSA-N -1 1 294.257 2.683 20 0 CFADMM CSCCN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000122894158 393973264 /nfs/dbraw/zinc/97/32/64/393973264.db2.gz MXRMVMGSWUMFJC-UHFFFAOYSA-N -1 1 275.373 2.980 20 0 CFADMM Cc1sccc1CNCc1ccc(C(=O)[O-])c(C)n1 ZINC000417554413 393973838 /nfs/dbraw/zinc/97/38/38/393973838.db2.gz CLEMLPMKQRGGRY-UHFFFAOYSA-N -1 1 276.361 2.748 20 0 CFADMM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cncnc2)cc1 ZINC000417574231 393978213 /nfs/dbraw/zinc/97/82/13/393978213.db2.gz RKUYCCXDMQTWPZ-INIZCTEOSA-N -1 1 299.374 2.906 20 0 CFADMM COCC[C@@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000417590161 393980453 /nfs/dbraw/zinc/98/04/53/393980453.db2.gz HHYZTPCFKJJFJC-CQSZACIVSA-N -1 1 289.331 2.526 20 0 CFADMM COC[C@@H](NCc1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC000417623129 393985745 /nfs/dbraw/zinc/98/57/45/393985745.db2.gz JKMHJWNQEUSOAM-CYBMUJFWSA-N -1 1 291.372 2.604 20 0 CFADMM Cc1conc1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC000123930464 393988793 /nfs/dbraw/zinc/98/87/93/393988793.db2.gz YLHFNUZTUGONIN-UHFFFAOYSA-N -1 1 269.260 2.890 20 0 CFADMM Cc1ccoc1CN[C@@H](Cc1ccc(C)c(C)c1)C(=O)[O-] ZINC000417649541 393989695 /nfs/dbraw/zinc/98/96/95/393989695.db2.gz JORAIWKTFQWZOE-HNNXBMFYSA-N -1 1 287.359 2.990 20 0 CFADMM Cc1cc(CNCc2cnn(C(C)C)c2)ccc1C(=O)[O-] ZINC000417666875 393991108 /nfs/dbraw/zinc/99/11/08/393991108.db2.gz GWABKDWVSJVCKC-UHFFFAOYSA-N -1 1 287.363 2.760 20 0 CFADMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc(C(F)(F)F)cc1[O-] ZINC000436821956 394025386 /nfs/dbraw/zinc/02/53/86/394025386.db2.gz RELSFJXEERPDPT-GDGBQDQQSA-N -1 1 285.265 2.939 20 0 CFADMM Cc1ccc(F)c(-c2cc(=NC(=O)CC(C)(F)F)[nH][n-]2)c1 ZINC000430612788 393999373 /nfs/dbraw/zinc/99/93/73/393999373.db2.gz STFOEVABCWQXHG-UHFFFAOYSA-N -1 1 297.280 2.930 20 0 CFADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])C(F)(F)F ZINC000436956468 394038446 /nfs/dbraw/zinc/03/84/46/394038446.db2.gz MPZOHDLSDLLSDI-LURJTMIESA-N -1 1 281.661 2.974 20 0 CFADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436984692 394040489 /nfs/dbraw/zinc/04/04/89/394040489.db2.gz ZKVOHSRQAHXHRY-ZIAGYGMSSA-N -1 1 289.375 2.906 20 0 CFADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1cncs1 ZINC000436981231 394040720 /nfs/dbraw/zinc/04/07/20/394040720.db2.gz QEITWYPIAJBUAK-ZETCQYMHSA-N -1 1 282.752 2.993 20 0 CFADMM CC[C@@H](Cc1ccccc1)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436985240 394040748 /nfs/dbraw/zinc/04/07/48/394040748.db2.gz NWEOBFMSQKGAAD-HNNXBMFYSA-N -1 1 297.354 2.712 20 0 CFADMM CC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)C(C)(C)C ZINC000436993733 394041813 /nfs/dbraw/zinc/04/18/13/394041813.db2.gz GQOJNFYMBRNKFO-LBPRGKRZSA-N -1 1 263.337 2.516 20 0 CFADMM C[C@H]1CCCC[C@@H]1CCNC(=O)C(=O)c1ccc([O-])cc1 ZINC000437002870 394042820 /nfs/dbraw/zinc/04/28/20/394042820.db2.gz QSURGSVTULNVPV-QWHCGFSZSA-N -1 1 289.375 2.908 20 0 CFADMM O=S(=O)([N-][C@H]1C=CCCC1)c1cc2ccccc2o1 ZINC000127785657 394055879 /nfs/dbraw/zinc/05/58/79/394055879.db2.gz KVOIPVCHKWIWJW-LBPRGKRZSA-N -1 1 277.345 2.820 20 0 CFADMM CCS[C@H]1CCC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000128088694 394063168 /nfs/dbraw/zinc/06/31/68/394063168.db2.gz FDGPUXCNCHOEQG-JQWIXIFHSA-N -1 1 283.368 2.935 20 0 CFADMM Cc1cc[nH]c1C(=O)N=c1cc(-c2cc(C)ccc2F)[n-][nH]1 ZINC000437821342 394077747 /nfs/dbraw/zinc/07/77/47/394077747.db2.gz LOLNNHAFQQZAQA-UHFFFAOYSA-N -1 1 298.321 2.835 20 0 CFADMM CCN(Cc1ccccn1)C(=O)c1c(F)ccc([O-])c1F ZINC000438913976 394087138 /nfs/dbraw/zinc/08/71/38/394087138.db2.gz DNOFTIGTFZZMCM-UHFFFAOYSA-N -1 1 292.285 2.728 20 0 CFADMM NC(=O)[C@@H]([N-]c1nc2cc(F)ccc2o1)c1ccccc1 ZINC000358207179 394097846 /nfs/dbraw/zinc/09/78/46/394097846.db2.gz CMIFCKLQFIPCCY-ZDUSSCGKSA-N -1 1 285.278 2.605 20 0 CFADMM CCc1ccc(C(=O)Nc2cccc(N(C)C)n2)c([O-])c1 ZINC000436840010 394027853 /nfs/dbraw/zinc/02/78/53/394027853.db2.gz PNUMXXLUQZJWNZ-UHFFFAOYSA-N -1 1 285.347 2.668 20 0 CFADMM O=C(C(=O)N1CCCc2ccccc21)c1ccc([O-])cc1 ZINC000436862592 394029704 /nfs/dbraw/zinc/02/97/04/394029704.db2.gz ZUVAOHQHWQKHTE-UHFFFAOYSA-N -1 1 281.311 2.554 20 0 CFADMM CN(Cc1ccnn1C)C(=O)c1cc2ccccc2cc1[O-] ZINC000436858102 394029967 /nfs/dbraw/zinc/02/99/67/394029967.db2.gz SOCJMTRFFSJUIP-UHFFFAOYSA-N -1 1 295.342 2.551 20 0 CFADMM O=C(Nc1ccc(OC(F)F)cn1)c1cc(F)ccc1[O-] ZINC000436860530 394030086 /nfs/dbraw/zinc/03/00/86/394030086.db2.gz PBCCMCJIBMVTBA-UHFFFAOYSA-N -1 1 298.220 2.780 20 0 CFADMM O=C(Nc1cccc(-c2c[nH]nn2)c1)c1cc(F)ccc1[O-] ZINC000436877910 394031478 /nfs/dbraw/zinc/03/14/78/394031478.db2.gz ABKUSLDBRKQQJW-UHFFFAOYSA-N -1 1 298.277 2.569 20 0 CFADMM CC(C)[C@H](NC(=O)c1ccc(Cl)cc1[O-])C(C)(C)O ZINC000436884381 394032099 /nfs/dbraw/zinc/03/20/99/394032099.db2.gz BOJUPISULJXVGC-LBPRGKRZSA-N -1 1 285.771 2.571 20 0 CFADMM CCc1ccccc1[C@@H]([NH3+])CN=c1nc(C2CC2)[n-]s1 ZINC000420274851 394112777 /nfs/dbraw/zinc/11/27/77/394112777.db2.gz KKULYSSLULDFKH-ZDUSSCGKSA-N -1 1 288.420 2.512 20 0 CFADMM O=C(/C=C\C1CCCC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000493140426 394160169 /nfs/dbraw/zinc/16/01/69/394160169.db2.gz MQEDZKMXGSMFAS-HJWRWDBZSA-N -1 1 283.335 2.552 20 0 CFADMM O=C(NCc1ccc(O)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000133159493 394170493 /nfs/dbraw/zinc/17/04/93/394170493.db2.gz ZMXGSSMTROURLF-UHFFFAOYSA-N -1 1 295.697 2.820 20 0 CFADMM CC(C)SCCNC(=O)c1c(F)ccc([O-])c1F ZINC000286872826 394200572 /nfs/dbraw/zinc/20/05/72/394200572.db2.gz ZMCAZCPQSJNCBI-UHFFFAOYSA-N -1 1 275.320 2.542 20 0 CFADMM CCCc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)[nH]n1 ZINC000135009170 394208972 /nfs/dbraw/zinc/20/89/72/394208972.db2.gz RUZSBAFSGTVFCT-UHFFFAOYSA-N -1 1 297.355 2.611 20 0 CFADMM O=C(Nc1ccncc1[O-])[C@H]1SCCc2ccccc21 ZINC000135393153 394219521 /nfs/dbraw/zinc/21/95/21/394219521.db2.gz BKFOXSJLFXGBET-AWEZNQCLSA-N -1 1 286.356 2.756 20 0 CFADMM Cc1c(Cl)c(CN[C@@]2(C(=O)[O-])CCC[C@H](C)C2)nn1C ZINC000421817229 394243087 /nfs/dbraw/zinc/24/30/87/394243087.db2.gz SLAOVKLTACKPEM-XPTSAGLGSA-N -1 1 299.802 2.505 20 0 CFADMM COc1ccc([C@@H]2CCCN2C(=O)c2ncccc2[O-])cc1 ZINC000153504612 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O=c1cc(C(F)F)nc(SCCO[C@H]2CC2(F)F)[n-]1 ZINC000657259505 413375631 /nfs/dbraw/zinc/37/56/31/413375631.db2.gz GVGKAQGWUDXLHH-LURJTMIESA-N -1 1 298.261 2.636 20 0 CFADMM CC(=O)[C@@H](C)CCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000657260315 413377739 /nfs/dbraw/zinc/37/77/39/413377739.db2.gz VMERSQAXRXWJHZ-LURJTMIESA-N -1 1 276.308 2.827 20 0 CFADMM CCc1nc(SCCC[C@H]2CCOC2)[n-]c(=O)c1C ZINC000657264065 413381961 /nfs/dbraw/zinc/38/19/61/413381961.db2.gz BWBFTTXTTVGHFF-NSHDSACASA-N -1 1 282.409 2.962 20 0 CFADMM O=S(=O)([N-][C@H]1CC[C@H](F)C1)c1cc(Cl)ccc1F ZINC000344914635 162146614 /nfs/dbraw/zinc/14/66/14/162146614.db2.gz OYDYXWURACPYLP-IUCAKERBSA-N -1 1 295.738 2.648 20 0 CFADMM O=S(=O)([N-][C@@H]1CC[C@H](F)C1)c1cc(Cl)ccc1F ZINC000344914634 162147808 /nfs/dbraw/zinc/14/78/08/162147808.db2.gz OYDYXWURACPYLP-DTWKUNHWSA-N -1 1 295.738 2.648 20 0 CFADMM O=S(=O)([N-][C@H]1CC[C@@H](F)C1)c1cccc(Cl)c1F ZINC000344938969 162151382 /nfs/dbraw/zinc/15/13/82/162151382.db2.gz MOHLWCMHDPICNS-SFYZADRCSA-N -1 1 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285.343 2.795 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@@H](C)CO1 ZINC000035221369 172063126 /nfs/dbraw/zinc/06/31/26/172063126.db2.gz XHIHSMKRGWSFOU-NWDGAFQWSA-N -1 1 285.343 2.795 20 0 CFADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@H]1CCCO1 ZINC000035236897 172074417 /nfs/dbraw/zinc/07/44/17/172074417.db2.gz BYBQASATZZNSQL-IAQYHMDHSA-N -1 1 285.343 2.843 20 0 CFADMM Cc1oc(CN(C)Cc2cccs2)cc1C(=O)[O-] ZINC000035717847 172372263 /nfs/dbraw/zinc/37/22/63/172372263.db2.gz XOXUFFWFGPHSFL-UHFFFAOYSA-N -1 1 265.334 2.980 20 0 CFADMM Cc1cc(C)c([C@H](C)N(C)Cc2n[n-]c(=O)o2)c(C)c1 ZINC000660843838 413614183 /nfs/dbraw/zinc/61/41/83/413614183.db2.gz CKXSFZXDOSNPHK-LBPRGKRZSA-N -1 1 275.352 2.893 20 0 CFADMM O=S(=O)([N-]C1CC2(CCC2)C1)c1cc(F)ccc1F ZINC000651918538 413715825 /nfs/dbraw/zinc/71/58/25/413715825.db2.gz DPFJGRYVPVGWMV-UHFFFAOYSA-N -1 1 287.331 2.576 20 0 CFADMM O=C([O-])c1ccc(CN2CC=CCC2)cc1Cl ZINC000652392865 413919985 /nfs/dbraw/zinc/91/99/85/413919985.db2.gz 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CC[C@@H](NC(=O)c1cc(F)ccc1[O-])c1nccs1 ZINC000128671437 280681978 /nfs/dbraw/zinc/68/19/78/280681978.db2.gz PCAYDCWKNYGMEM-SNVBAGLBSA-N -1 1 280.324 2.869 20 0 CFADMM O=C(NCc1ccc(O)cc1)c1ccc(Cl)cc1[O-] ZINC000131296026 280716009 /nfs/dbraw/zinc/71/60/09/280716009.db2.gz XBSBKBAHROVFPN-UHFFFAOYSA-N -1 1 277.707 2.681 20 0 CFADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1nc2ccccc2[nH]1 ZINC000133163349 280741039 /nfs/dbraw/zinc/74/10/39/280741039.db2.gz SJIIIEWJKGQXSZ-VIFPVBQESA-N -1 1 299.305 2.899 20 0 CFADMM O=C(NCCc1cc(F)cc(F)c1)c1cc(F)ccc1[O-] ZINC000149092558 280793307 /nfs/dbraw/zinc/79/33/07/280793307.db2.gz WHOPBKXMJNXLKP-UHFFFAOYSA-N -1 1 295.260 2.782 20 0 CFADMM C[C@@H]1CCC[C@@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000149018426 280793473 /nfs/dbraw/zinc/79/34/73/280793473.db2.gz XGIKMTAXPYKHFC-MWLCHTKSSA-N -1 1 251.301 2.840 20 0 CFADMM O=C(NCCc1cccs1)c1cc(F)ccc1[O-] ZINC000148998949 280793620 /nfs/dbraw/zinc/79/36/20/280793620.db2.gz BNDAVNREBXJWKB-UHFFFAOYSA-N -1 1 265.309 2.565 20 0 CFADMM 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295.314 2.649 20 0 CFADMM CN(C)c1cccc(-c2ccc([O-])c(F)c2F)n1 ZINC001243340167 782144524 /nfs/dbraw/zinc/14/45/24/782144524.db2.gz YUNIRHREAOHQTK-UHFFFAOYSA-N -1 1 250.248 2.798 20 0 CFADMM Cc1nc2c(c(-c3ccc([O-])c(F)c3F)n1)CCC2 ZINC001243339123 782144596 /nfs/dbraw/zinc/14/45/96/782144596.db2.gz KRHGREWUFLXVLI-UHFFFAOYSA-N -1 1 262.259 2.925 20 0 CFADMM CS(=O)(=O)c1cccc(-c2ccc([O-])c(F)c2F)c1 ZINC001243341623 782146074 /nfs/dbraw/zinc/14/60/74/782146074.db2.gz AQJSUDBTTGSYFE-UHFFFAOYSA-N -1 1 284.283 2.741 20 0 CFADMM [O-]c1ccc(-c2cccc(-c3nn[nH]n3)c2)c(F)c1F ZINC001243341559 782146210 /nfs/dbraw/zinc/14/62/10/782146210.db2.gz TXDMUTZMEBOZDE-UHFFFAOYSA-N -1 1 274.230 2.518 20 0 CFADMM Cc1nc2[nH]ccc2nc1-c1ccc([O-])c(F)c1F ZINC001243342564 782147973 /nfs/dbraw/zinc/14/79/73/782147973.db2.gz IQTFQFAOQMVUHK-UHFFFAOYSA-N -1 1 261.231 2.917 20 0 CFADMM COC(=O)c1cc(-c2ccc([O-])c(F)c2F)ncc1C ZINC001243341992 782147985 /nfs/dbraw/zinc/14/79/85/782147985.db2.gz YAFFVYWFHQLVMW-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM Cc1nc2ccc(-c3ccc([O-])c(F)c3F)nc2n1C ZINC001243341916 782148037 /nfs/dbraw/zinc/14/80/37/782148037.db2.gz VBMMTUBRZDRYBJ-UHFFFAOYSA-N -1 1 275.258 2.928 20 0 CFADMM Cc1nc2[nH]cnc2cc1-c1ccc([O-])c(F)c1F ZINC001243342309 782147093 /nfs/dbraw/zinc/14/70/93/782147093.db2.gz GKLYBCLSQNRJHS-UHFFFAOYSA-N -1 1 261.231 2.917 20 0 CFADMM O=C1NCc2c1cccc2-c1ccc([O-])c(F)c1F ZINC001243342058 782147158 /nfs/dbraw/zinc/14/71/58/782147158.db2.gz IDGORIZQPKLQQR-UHFFFAOYSA-N -1 1 261.227 2.581 20 0 CFADMM COC(=O)c1ncccc1-c1ccc([O-])c(F)c1F ZINC001243342780 782147248 /nfs/dbraw/zinc/14/72/48/782147248.db2.gz UEELUTDOHCBCCS-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM CCOC(=O)c1cncc(-c2ccc([O-])c(F)c2F)c1 ZINC001243342373 782147616 /nfs/dbraw/zinc/14/76/16/782147616.db2.gz MBSDMYOKDPSQKJ-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM Cn1c(=O)cnc2ccc(-c3ccc([O-])c(F)c3F)cc21 ZINC001243342430 782147658 /nfs/dbraw/zinc/14/76/58/782147658.db2.gz JRAWBLQHEMPZDV-UHFFFAOYSA-N -1 1 288.253 2.584 20 0 CFADMM Cn1ccc2nc(-c3ccc([O-])c(F)c3F)cnc21 ZINC001243342952 782148830 /nfs/dbraw/zinc/14/88/30/782148830.db2.gz RHLOYLFGWWLBSJ-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM Cc1nc(S[C@H](C)c2csnn2)[n-]c(=O)c1C ZINC000450907143 501002689 /nfs/dbraw/zinc/00/26/89/501002689.db2.gz QOKXTCYPWTUXST-SSDOTTSWSA-N -1 1 268.367 2.504 20 0 CFADMM CC(C)CN(C(=O)c1cncc([O-])c1)C1CCCC1 ZINC000094848799 517415280 /nfs/dbraw/zinc/41/52/80/517415280.db2.gz FJZLHCAUAFDVFB-UHFFFAOYSA-N -1 1 262.353 2.828 20 0 CFADMM CC(C)(C)C(C)(C)CNC(=O)c1cncc([O-])c1 ZINC000311214401 518596996 /nfs/dbraw/zinc/59/69/96/518596996.db2.gz MLCUVUMLVPHWJK-UHFFFAOYSA-N -1 1 250.342 2.589 20 0 CFADMM CC(C)(CF)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000335519749 519231320 /nfs/dbraw/zinc/23/13/20/519231320.db2.gz WOYZWDLOJSBVNB-UHFFFAOYSA-N -1 1 283.727 2.506 20 0 CFADMM CC(C)CCO[C@H](C)C(=O)Nc1ccc(F)cc1[O-] ZINC000340330102 519673198 /nfs/dbraw/zinc/67/31/98/519673198.db2.gz PPXOGLQGASJXKL-SNVBAGLBSA-N -1 1 269.316 2.921 20 0 CFADMM CC(C)c1cc(C(=O)Nc2ccc([O-])c(F)c2F)n(C)n1 ZINC000335017515 519832761 /nfs/dbraw/zinc/83/27/61/519832761.db2.gz HZZSTRCIYJKFOK-UHFFFAOYSA-N -1 1 295.289 2.780 20 0 CFADMM CCC1(CNC(=O)c2cncc([O-])c2)CCCCC1 ZINC000354691804 519842062 /nfs/dbraw/zinc/84/20/62/519842062.db2.gz JYPDUGPBSUTGSN-UHFFFAOYSA-N -1 1 262.353 2.878 20 0 CFADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)C2CC2)CC1 ZINC000068447325 519919692 /nfs/dbraw/zinc/91/96/92/519919692.db2.gz TWUSBHGSPWOTIP-UHFFFAOYSA-N -1 1 294.424 2.638 20 0 CFADMM CC1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000336372951 520230550 /nfs/dbraw/zinc/23/05/50/520230550.db2.gz IXAOJTHLVSZAAT-UHFFFAOYSA-N -1 1 257.293 2.521 20 0 CFADMM CC1(CNC(=O)c2cncc([O-])c2)CCCCCC1 ZINC000340006203 520731332 /nfs/dbraw/zinc/73/13/32/520731332.db2.gz QSGPWHWVKFOPLW-UHFFFAOYSA-N -1 1 262.353 2.878 20 0 CFADMM CC1=CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000231357223 520868208 /nfs/dbraw/zinc/86/82/08/520868208.db2.gz SIYKYHLCSZYHSN-UHFFFAOYSA-N -1 1 296.164 2.947 20 0 CFADMM O=C([O-])c1coc(CNCc2cccc3cc[nH]c32)c1 ZINC000426715277 534550647 /nfs/dbraw/zinc/55/06/47/534550647.db2.gz QOPVBAGFHZIBQB-UHFFFAOYSA-N -1 1 270.288 2.749 20 0 CFADMM CC[C@@H](C)CC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000361891315 521937496 /nfs/dbraw/zinc/93/74/96/521937496.db2.gz HFOQNSDTHQVDEH-SECBINFHSA-N -1 1 263.366 2.935 20 0 CFADMM COc1cc(C(=O)N2CC[C@](C)(F)C2)cc(Cl)c1[O-] ZINC000335834406 522092259 /nfs/dbraw/zinc/09/22/59/522092259.db2.gz NWFDFGDPXCOWJR-ZDUSSCGKSA-N -1 1 287.718 2.628 20 0 CFADMM CC[C@@H](CC(F)(F)F)N=c1nc([C@H](C)OC)[n-]s1 ZINC000337850842 522483360 /nfs/dbraw/zinc/48/33/60/522483360.db2.gz FSVQNVLBHSRXQP-BQBZGAKWSA-N -1 1 283.319 2.810 20 0 CFADMM COc1cc(NC(=O)c2cncc([O-])c2)ccc1Cl ZINC000232202343 522730303 /nfs/dbraw/zinc/73/03/03/522730303.db2.gz VKXXJAOVLUGMDN-UHFFFAOYSA-N -1 1 278.695 2.702 20 0 CFADMM CCc1noc(C)c1[N-]C(=O)c1sccc1F ZINC000336338096 522877702 /nfs/dbraw/zinc/87/77/02/522877702.db2.gz GOYGLQBHZANPCE-UHFFFAOYSA-N -1 1 254.286 2.998 20 0 CFADMM CO[C@H](C)c1nc(=N[C@H]2C[C@H](OC(C)C)C2(C)C)s[n-]1 ZINC000337865804 523908070 /nfs/dbraw/zinc/90/80/70/523908070.db2.gz KTNDGPSGXJZNOQ-VWYCJHECSA-N -1 1 299.440 2.671 20 0 CFADMM CO[C@H]1CCC[C@H](C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000334832839 523982263 /nfs/dbraw/zinc/98/22/63/523982263.db2.gz QEJNMLJNMHVLEF-ONGXEEELSA-N -1 1 267.300 2.675 20 0 CFADMM C[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340846213 524097077 /nfs/dbraw/zinc/09/70/77/524097077.db2.gz IYPBNRITBBQEKK-MRVPVSSYSA-N -1 1 291.775 2.946 20 0 CFADMM C[C@H]1CCC[C@@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000334831113 524161278 /nfs/dbraw/zinc/16/12/78/524161278.db2.gz MIVRISJQAHTGQG-DTWKUNHWSA-N -1 1 269.291 2.836 20 0 CFADMM Cc1ccc(CN(C)C(=O)c2ncc(C)cc2[O-])s1 ZINC000336106193 524385115 /nfs/dbraw/zinc/38/51/15/524385115.db2.gz QNOZOESFUBNXGE-UHFFFAOYSA-N -1 1 276.361 2.738 20 0 CFADMM Cc1cccc(CS(=O)(=O)c2ccc([O-])cc2)c1 ZINC000049489143 524455173 /nfs/dbraw/zinc/45/51/73/524455173.db2.gz HXYPXCKRWURBAG-UHFFFAOYSA-N -1 1 262.330 2.675 20 0 CFADMM COc1ccc(NC(=O)c2cncc([O-])c2)cc1Cl ZINC000082325330 524653182 /nfs/dbraw/zinc/65/31/82/524653182.db2.gz LFXSABUEWMXCEK-UHFFFAOYSA-N -1 1 278.695 2.702 20 0 CFADMM C[C@H]1C[C@H]1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000228316633 524955902 /nfs/dbraw/zinc/95/59/02/524955902.db2.gz TXJTWVFZWITMDI-CBAPKCEASA-N -1 1 284.153 2.541 20 0 CFADMM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000334630334 524994717 /nfs/dbraw/zinc/99/47/17/524994717.db2.gz IDIPUALXUYAUCG-MEDUHNTESA-N -1 1 295.338 2.625 20 0 CFADMM C[C@H]1[C@@H](c2nc(-c3ccc([O-])cc3F)no2)C1(F)F ZINC000336157629 525095648 /nfs/dbraw/zinc/09/56/48/525095648.db2.gz SJLFCPBDFKZOLC-CDUCUWFYSA-N -1 1 270.210 2.950 20 0 CFADMM C[C@]1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1(F)F ZINC000335189722 525218453 /nfs/dbraw/zinc/21/84/53/525218453.db2.gz KWGPYSGFWFKVJJ-CYBMUJFWSA-N -1 1 293.273 2.766 20 0 CFADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)C1CCCC1 ZINC000229787743 525332238 /nfs/dbraw/zinc/33/22/38/525332238.db2.gz OHEARRIFEBQYOA-SECBINFHSA-N -1 1 251.301 2.840 20 0 CFADMM Cc1cnc(C(=O)N(C)[C@H](C)c2ccco2)c([O-])c1 ZINC000334707571 525966303 /nfs/dbraw/zinc/96/63/03/525966303.db2.gz HBISYFHXJHWCLA-SNVBAGLBSA-N -1 1 260.293 2.522 20 0 CFADMM Cc1cnc(C(=O)N(C)Cc2c(F)cccc2F)c([O-])c1 ZINC000336336494 525966668 /nfs/dbraw/zinc/96/66/68/525966668.db2.gz JBPRWNMWKASRLQ-UHFFFAOYSA-N -1 1 292.285 2.646 20 0 CFADMM C[C@@H](c1ccccn1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000086725467 526113411 /nfs/dbraw/zinc/11/34/11/526113411.db2.gz VVPVQXBJWRQIEA-LBPRGKRZSA-N -1 1 270.332 2.973 20 0 CFADMM O=C(CC(F)(F)F)Nc1ccc([O-])c(Cl)c1 ZINC000082879691 526325367 /nfs/dbraw/zinc/32/53/67/526325367.db2.gz ATUQCAVNMASMKD-UHFFFAOYSA-N -1 1 253.607 2.937 20 0 CFADMM O=C([O-])c1ccc(CN(Cc2cccnc2)C2CC2)cc1 ZINC000263387068 526364908 /nfs/dbraw/zinc/36/49/08/526364908.db2.gz DFYJPZCHMZKROX-UHFFFAOYSA-N -1 1 282.343 2.944 20 0 CFADMM Cc1cscc1CNC(=O)c1ccc([O-])cc1F ZINC000226406260 526466924 /nfs/dbraw/zinc/46/69/24/526466924.db2.gz WELPPJKQVOZYFT-UHFFFAOYSA-N -1 1 265.309 2.831 20 0 CFADMM O=C(NC[C@H]1CCCC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000158261483 526595725 /nfs/dbraw/zinc/59/57/25/526595725.db2.gz BOFDIWLGLZEMRO-CZUORRHYSA-N -1 1 299.370 2.826 20 0 CFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000336177529 526659952 /nfs/dbraw/zinc/65/99/52/526659952.db2.gz FXTJTHDJVLBGRI-MWLCHTKSSA-N -1 1 291.395 2.707 20 0 CFADMM Cc1nc(CN(C)C(=O)c2cc(F)ccc2[O-])cs1 ZINC000081957869 526836652 /nfs/dbraw/zinc/83/66/52/526836652.db2.gz XMQMUOQRKPBRLP-UHFFFAOYSA-N -1 1 280.324 2.568 20 0 CFADMM O=C(Nc1ccc(Cl)cc1[O-])c1cn2ccccc2n1 ZINC000340331453 527187403 /nfs/dbraw/zinc/18/74/03/527187403.db2.gz SLFNVXPJVQDNQE-UHFFFAOYSA-N -1 1 287.706 2.946 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cc(C2CC2)no1 ZINC000336331265 527214497 /nfs/dbraw/zinc/21/44/97/527214497.db2.gz HLQGZVATYNLVIK-UHFFFAOYSA-N -1 1 262.240 2.649 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCCS1 ZINC000335018417 527236067 /nfs/dbraw/zinc/23/60/67/527236067.db2.gz OQFZUTRWBMPXQJ-MRVPVSSYSA-N -1 1 259.277 2.505 20 0 CFADMM O=S(=O)([N-][C@@H]1CC=CCC1)c1sccc1Cl ZINC000336256693 527237057 /nfs/dbraw/zinc/23/70/57/527237057.db2.gz QMUXNAFMUGKTHA-MRVPVSSYSA-N -1 1 277.798 2.789 20 0 CFADMM Cc1ncoc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000159477615 527471450 /nfs/dbraw/zinc/47/14/50/527471450.db2.gz HISWMMVOWFRPFD-UHFFFAOYSA-N -1 1 252.657 2.594 20 0 CFADMM CCCCC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000427769870 528261616 /nfs/dbraw/zinc/26/16/16/528261616.db2.gz WHHGMDBSZOYNHY-GFCCVEGCSA-N -1 1 262.353 2.972 20 0 CFADMM CC(C)C[C@@H](CCO)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000176288931 528287928 /nfs/dbraw/zinc/28/79/28/528287928.db2.gz MCIGGCJEQGUWFZ-LLVKDONJSA-N -1 1 299.798 2.820 20 0 CFADMM CCCc1csc(CN2CCC[C@H](C(=O)[O-])[C@@H]2C)n1 ZINC000422635402 528663126 /nfs/dbraw/zinc/66/31/26/528663126.db2.gz NFPKLUPERHMBOP-JQWIXIFHSA-N -1 1 282.409 2.781 20 0 CFADMM CCCc1csc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)n1 ZINC000422629991 528668668 /nfs/dbraw/zinc/66/86/68/528668668.db2.gz AMRNHCCLYYDUTQ-WDEREUQCSA-N -1 1 282.409 2.781 20 0 CFADMM CCC[C@@H](NC(=O)C[C@H](C)C1CCCCC1)c1nn[n-]n1 ZINC000176750433 528974820 /nfs/dbraw/zinc/97/48/20/528974820.db2.gz OORZHTYYCMTEBI-WCQYABFASA-N -1 1 293.415 2.764 20 0 CFADMM CC[C@H](CC1CCCCC1)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000413510946 529321950 /nfs/dbraw/zinc/32/19/50/529321950.db2.gz IDWPZLILOTULKO-GFCCVEGCSA-N -1 1 293.415 2.548 20 0 CFADMM Cc1noc(C)c1[C@@H](C)NC(=O)c1cc(F)ccc1[O-] ZINC000080028103 545512491 /nfs/dbraw/zinc/51/24/91/545512491.db2.gz ZISRORUFSLHIHC-SSDOTTSWSA-N -1 1 278.283 2.627 20 0 CFADMM C[C@H]1CCC[C@H](C)N1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736774905 574071898 /nfs/dbraw/zinc/07/18/98/574071898.db2.gz KZWRATOZMJSOPZ-RYUDHWBXSA-N -1 1 290.363 2.586 20 0 CFADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)CC ZINC000738622292 574076663 /nfs/dbraw/zinc/07/66/63/574076663.db2.gz KZYFEXYYXBZOFI-LLVKDONJSA-N -1 1 299.392 2.794 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccccc2)c1 ZINC000744490512 574077978 /nfs/dbraw/zinc/07/79/78/574077978.db2.gz AVCXHLQMVIMFHQ-UHFFFAOYSA-N -1 1 284.311 2.994 20 0 CFADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1nnc2ccccc2c1O ZINC000744764952 574086050 /nfs/dbraw/zinc/08/60/50/574086050.db2.gz YPVIXCVMGGVGMZ-MNOVXSKESA-N -1 1 285.347 2.596 20 0 CFADMM CC[C@@H](c1ccc(F)cc1)N1CCCN(C(=O)[O-])CC1 ZINC000737784314 574098683 /nfs/dbraw/zinc/09/86/83/574098683.db2.gz TXORBEBWWCZRQD-AWEZNQCLSA-N -1 1 280.343 2.963 20 0 CFADMM O=C([O-])N1CCC[C@H]1CNCc1c(F)cccc1Cl ZINC000740521895 574104912 /nfs/dbraw/zinc/10/49/12/574104912.db2.gz WTBVKZSHENFWEY-VIFPVBQESA-N -1 1 286.734 2.711 20 0 CFADMM CCN(CCC(=O)[O-])Cc1ncc(-c2ccccc2F)o1 ZINC000737095763 574111050 /nfs/dbraw/zinc/11/10/50/574111050.db2.gz DUTODWGNTUJSBT-UHFFFAOYSA-N -1 1 292.310 2.777 20 0 CFADMM O=C(CC1CCC1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000745568853 574117990 /nfs/dbraw/zinc/11/79/90/574117990.db2.gz AFLNCOVAUSMWEJ-UHFFFAOYSA-N -1 1 288.299 2.732 20 0 CFADMM Cc1cc(C)c(CNc2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC000737247002 574121120 /nfs/dbraw/zinc/12/11/20/574121120.db2.gz RJKBASBLDAPMMY-UHFFFAOYSA-N -1 1 294.362 2.799 20 0 CFADMM Cc1cc(C)c(CNc2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC000737247002 574121122 /nfs/dbraw/zinc/12/11/22/574121122.db2.gz RJKBASBLDAPMMY-UHFFFAOYSA-N -1 1 294.362 2.799 20 0 CFADMM O=C([O-])NCCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000740658662 574158201 /nfs/dbraw/zinc/15/82/01/574158201.db2.gz JRHDFVKORQJAPI-HNNXBMFYSA-N -1 1 288.322 2.772 20 0 CFADMM c1cc(-c2nnn[n-]2)nc(N2CCCC3(CCCCC3)C2)c1 ZINC000738412917 574167698 /nfs/dbraw/zinc/16/76/98/574167698.db2.gz NRBBZWLLQYROMR-UHFFFAOYSA-N -1 1 298.394 2.812 20 0 CFADMM c1cc(-c2nn[n-]n2)nc(N2CCCC3(CCCCC3)C2)c1 ZINC000738412917 574167700 /nfs/dbraw/zinc/16/77/00/574167700.db2.gz NRBBZWLLQYROMR-UHFFFAOYSA-N -1 1 298.394 2.812 20 0 CFADMM c1ccc(CCCCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000738426542 574168177 /nfs/dbraw/zinc/16/81/77/574168177.db2.gz DXCHZLVUERETAB-UHFFFAOYSA-N -1 1 294.362 2.697 20 0 CFADMM c1ccc(CCCCNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000738426542 574168180 /nfs/dbraw/zinc/16/81/80/574168180.db2.gz DXCHZLVUERETAB-UHFFFAOYSA-N -1 1 294.362 2.697 20 0 CFADMM C[C@]1(CCCO)CCCN1C(=O)c1c([O-])cccc1Cl ZINC000755731237 574181893 /nfs/dbraw/zinc/18/18/93/574181893.db2.gz RYFAZILIBGPAIT-OAHLLOKOSA-N -1 1 297.782 2.813 20 0 CFADMM CC(C)(C)c1csc(CNC[C@@H]2CCCN2C(=O)[O-])n1 ZINC000738726980 574182648 /nfs/dbraw/zinc/18/26/48/574182648.db2.gz CPISANHUYTVPFM-JTQLQIEISA-N -1 1 297.424 2.673 20 0 CFADMM Cc1cccnc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738785708 574184504 /nfs/dbraw/zinc/18/45/04/574184504.db2.gz KPEWASODPMCBEW-CQSZACIVSA-N -1 1 290.750 2.959 20 0 CFADMM O=C(NCCC1CCC1)c1c([O-])cccc1Cl ZINC000755863823 574193105 /nfs/dbraw/zinc/19/31/05/574193105.db2.gz MTENQZSYBDVMNY-UHFFFAOYSA-N -1 1 253.729 2.966 20 0 CFADMM C[C@@H](c1ccc(F)c(F)c1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739059752 574195409 /nfs/dbraw/zinc/19/54/09/574195409.db2.gz VXPWOYKJCLWVAD-VHSXEESVSA-N -1 1 284.306 2.615 20 0 CFADMM C[C@H]1CN(Cc2cccc(Cl)c2)CC[C@@H]1NC(=O)[O-] ZINC000739191515 574200527 /nfs/dbraw/zinc/20/05/27/574200527.db2.gz PKQJWSJBFBKOCO-GWCFXTLKSA-N -1 1 282.771 2.818 20 0 CFADMM CCN(Cc1c(F)cccc1F)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739440070 574213907 /nfs/dbraw/zinc/21/39/07/574213907.db2.gz UJBUPTRPOWTMDX-LLVKDONJSA-N -1 1 298.333 2.787 20 0 CFADMM O=C([O-])c1ccc(CNCc2cnc(-c3ccccc3)[nH]2)o1 ZINC000756286729 574221326 /nfs/dbraw/zinc/22/13/26/574221326.db2.gz YFSOMSNCOVKJOY-UHFFFAOYSA-N -1 1 297.314 2.658 20 0 CFADMM O=C([O-])C[C@H]1CCCCN1Cc1cccnc1Cl ZINC000739638961 574221684 /nfs/dbraw/zinc/22/16/84/574221684.db2.gz JABHDTFAGSGVNB-LLVKDONJSA-N -1 1 268.744 2.564 20 0 CFADMM CN(CCNCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000739699695 574223185 /nfs/dbraw/zinc/22/31/85/574223185.db2.gz VNXZRDWOHQCOOX-UHFFFAOYSA-N -1 1 277.151 2.693 20 0 CFADMM CN(CC1CCN(Cc2ccccc2F)CC1)C(=O)[O-] ZINC000739667091 574222740 /nfs/dbraw/zinc/22/27/40/574222740.db2.gz VMPSZZWAQXPYDN-UHFFFAOYSA-N -1 1 280.343 2.648 20 0 CFADMM O=C([O-])c1coc(CNC/C=C/c2ccccc2)c1 ZINC000756307877 574223849 /nfs/dbraw/zinc/22/38/49/574223849.db2.gz QMILSZRBLHAURC-QPJJXVBHSA-N -1 1 257.289 2.781 20 0 CFADMM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c(C)o1 ZINC000756364592 574230079 /nfs/dbraw/zinc/23/00/79/574230079.db2.gz OPKJXIYFZAKQCC-AWEZNQCLSA-N -1 1 277.295 2.951 20 0 CFADMM O=C([O-])c1ccoc1CNC1(c2ccccc2)CC1 ZINC000740254542 574244465 /nfs/dbraw/zinc/24/44/65/574244465.db2.gz XRCODDWGDNIVDY-UHFFFAOYSA-N -1 1 257.289 2.757 20 0 CFADMM O=C([O-])N1CC[C@H](CN2CCc3[nH]c4ccccc4c3C2)C1 ZINC000740503082 574251768 /nfs/dbraw/zinc/25/17/68/574251768.db2.gz KKPKNLOIKMSWET-GFCCVEGCSA-N -1 1 299.374 2.526 20 0 CFADMM CC(C)(C)c1nc(CN2CCC[C@@H]2CC(=O)[O-])cs1 ZINC000042162879 574261391 /nfs/dbraw/zinc/26/13/91/574261391.db2.gz MPEQQGKSQQUCIF-LLVKDONJSA-N -1 1 282.409 2.880 20 0 CFADMM O=C([N-]C[C@@H]1SCCc2ccccc21)C(F)(F)F ZINC000749482695 574297650 /nfs/dbraw/zinc/29/76/50/574297650.db2.gz SJHROHNWCCWICN-JTQLQIEISA-N -1 1 275.295 2.696 20 0 CFADMM Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000734975508 574308551 /nfs/dbraw/zinc/30/85/51/574308551.db2.gz KHFIJYZTQFEJJT-LUAWRHEFSA-N -1 1 274.345 2.803 20 0 CFADMM CC(C)(C)CCCCNc1cccc(-c2nnn[n-]2)n1 ZINC000735602404 574330665 /nfs/dbraw/zinc/33/06/65/574330665.db2.gz PGAKGXFLSOJPLL-UHFFFAOYSA-N -1 1 274.372 2.890 20 0 CFADMM CC(C)(C)CCCCNc1cccc(-c2nn[n-]n2)n1 ZINC000735602404 574330668 /nfs/dbraw/zinc/33/06/68/574330668.db2.gz PGAKGXFLSOJPLL-UHFFFAOYSA-N -1 1 274.372 2.890 20 0 CFADMM CC(C)c1ccc(Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000735928185 574343261 /nfs/dbraw/zinc/34/32/61/574343261.db2.gz HUCQQJXKGWMLFI-UHFFFAOYSA-N -1 1 281.323 2.524 20 0 CFADMM CC(C)c1ccc(Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000735928185 574343263 /nfs/dbraw/zinc/34/32/63/574343263.db2.gz HUCQQJXKGWMLFI-UHFFFAOYSA-N -1 1 281.323 2.524 20 0 CFADMM C[C@@H]1CCC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000736259332 574358255 /nfs/dbraw/zinc/35/82/55/574358255.db2.gz DNDLZOCUQBRKFT-PHDIDXHHSA-N -1 1 284.776 2.577 20 0 CFADMM C[C@@H]1CCC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000736259332 574358257 /nfs/dbraw/zinc/35/82/57/574358257.db2.gz DNDLZOCUQBRKFT-PHDIDXHHSA-N -1 1 284.776 2.577 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2C[C@@H]2C2CC2)c1 ZINC000751748715 574382176 /nfs/dbraw/zinc/38/21/76/574382176.db2.gz RQHWLSKQKQPYBV-CABCVRRESA-N -1 1 288.343 2.727 20 0 CFADMM Cc1ccncc1/C=C/C(=O)Nc1c([O-])cccc1F ZINC000752681418 574393548 /nfs/dbraw/zinc/39/35/48/574393548.db2.gz WSRIOGSCQROYAL-AATRIKPKSA-N -1 1 272.279 2.887 20 0 CFADMM CC[C@H](C[N-]C(=O)C(F)(F)F)Oc1ccccc1C ZINC000752743110 574394293 /nfs/dbraw/zinc/39/42/93/574394293.db2.gz JLMRAQVAXKNTRJ-SNVBAGLBSA-N -1 1 275.270 2.831 20 0 CFADMM COCCO[N-]C(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000753319877 574401424 /nfs/dbraw/zinc/40/14/24/574401424.db2.gz MULQOKYENQVJBW-GFCCVEGCSA-N -1 1 273.332 2.638 20 0 CFADMM CC[C@@H]1CCC[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000095263756 598973484 /nfs/dbraw/zinc/97/34/84/598973484.db2.gz SVHOLLZOMBCMHP-MNOVXSKESA-N -1 1 272.356 2.642 20 0 CFADMM CC[C@@H]1CCC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000095263756 598973485 /nfs/dbraw/zinc/97/34/85/598973485.db2.gz SVHOLLZOMBCMHP-MNOVXSKESA-N -1 1 272.356 2.642 20 0 CFADMM COc1ccc([C@@H](NCc2ccccc2F)C(=O)[O-])cc1 ZINC000074402916 599859809 /nfs/dbraw/zinc/85/98/09/599859809.db2.gz LHVRMFFRRKZSSZ-OAHLLOKOSA-N -1 1 289.306 2.750 20 0 CFADMM O=C([O-])c1ccc(CN[C@@H]2COc3ccccc32)cc1 ZINC000070529821 597245173 /nfs/dbraw/zinc/24/51/73/597245173.db2.gz KPDZFIGUCQQNOE-CQSZACIVSA-N -1 1 269.300 2.608 20 0 CFADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900118392 620638698 /nfs/dbraw/zinc/63/86/98/620638698.db2.gz GFWYPABHHOISMV-GWCFXTLKSA-N -1 1 289.379 2.710 20 0 CFADMM Cc1cc(F)cc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822203358 607311726 /nfs/dbraw/zinc/31/17/26/607311726.db2.gz PWAJTVSYDSULQL-UHFFFAOYSA-N -1 1 289.339 2.988 20 0 CFADMM Cc1ccc([C@H](C)NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000900123076 620639650 /nfs/dbraw/zinc/63/96/50/620639650.db2.gz GXLDRXQETKZRAD-NSHDSACASA-N -1 1 297.358 2.859 20 0 CFADMM Cc1ccc(C=Cc2n[nH]c(SCCCC(=O)[O-])n2)o1 ZINC000821076185 597752107 /nfs/dbraw/zinc/75/21/07/597752107.db2.gz VIKCZVODLKHQDI-SREVYHEPSA-N -1 1 293.348 2.833 20 0 CFADMM CC(C)C[C@@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000820068816 607328285 /nfs/dbraw/zinc/32/82/85/607328285.db2.gz UDJXLYGZKGVXOM-LBPRGKRZSA-N -1 1 286.383 2.667 20 0 CFADMM CC(C)C[C@@H]1CCCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000820068816 607328286 /nfs/dbraw/zinc/32/82/86/607328286.db2.gz UDJXLYGZKGVXOM-LBPRGKRZSA-N -1 1 286.383 2.667 20 0 CFADMM CC(C)[C@@H](NCc1cc(-c2ccc(F)cc2)no1)C(=O)[O-] ZINC000820043619 598188521 /nfs/dbraw/zinc/18/85/21/598188521.db2.gz BVHGMOOUUXPMAQ-CQSZACIVSA-N -1 1 292.310 2.680 20 0 CFADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(F)cn1 ZINC000820149093 598192063 /nfs/dbraw/zinc/19/20/63/598192063.db2.gz VVRJSGRMKFBRBI-JTQLQIEISA-N -1 1 274.295 2.770 20 0 CFADMM Cc1ccc([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000821070008 598197303 /nfs/dbraw/zinc/19/73/03/598197303.db2.gz NOODNXJTHGAYDJ-OCCSQVGLSA-N -1 1 273.332 2.935 20 0 CFADMM COC[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000223628511 598203538 /nfs/dbraw/zinc/20/35/38/598203538.db2.gz BYUFJIKRTLGETK-MRXNPFEDSA-N -1 1 285.343 2.862 20 0 CFADMM CC1(COC(=O)c2sccc2-c2nn[n-]n2)CCCC1 ZINC000824830966 607780044 /nfs/dbraw/zinc/78/00/44/607780044.db2.gz NHHUQFZLLRHBAR-UHFFFAOYSA-N -1 1 292.364 2.665 20 0 CFADMM CC[C@H]1CCCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000095263983 599406081 /nfs/dbraw/zinc/40/60/81/599406081.db2.gz NILLJKBHAXXKDS-WDEREUQCSA-N -1 1 272.356 2.642 20 0 CFADMM CC[C@H]1CCCC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000095263983 599406082 /nfs/dbraw/zinc/40/60/82/599406082.db2.gz NILLJKBHAXXKDS-WDEREUQCSA-N -1 1 272.356 2.642 20 0 CFADMM CCc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821492926 599408302 /nfs/dbraw/zinc/40/83/02/599408302.db2.gz ZTNMWQNCFPZXQR-UHFFFAOYSA-N -1 1 269.308 2.634 20 0 CFADMM CCc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821492926 599408305 /nfs/dbraw/zinc/40/83/05/599408305.db2.gz ZTNMWQNCFPZXQR-UHFFFAOYSA-N -1 1 269.308 2.634 20 0 CFADMM Fc1ccc2c(c1)CC[C@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000737664796 599416834 /nfs/dbraw/zinc/41/68/34/599416834.db2.gz DOZGBRMHKXMNGT-GFCCVEGCSA-N -1 1 296.309 2.500 20 0 CFADMM Fc1ccc2c(c1)CC[C@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000737664796 599416837 /nfs/dbraw/zinc/41/68/37/599416837.db2.gz DOZGBRMHKXMNGT-GFCCVEGCSA-N -1 1 296.309 2.500 20 0 CFADMM C[C@@](O)(CN1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000317251842 600082027 /nfs/dbraw/zinc/08/20/27/600082027.db2.gz GHGCROMXXKWGBM-GOSISDBHSA-N -1 1 297.354 2.608 20 0 CFADMM CC[C@](C)(NCc1nc2ccccc2s1)C(=O)[O-] ZINC000094228479 600561062 /nfs/dbraw/zinc/56/10/62/600561062.db2.gz LCMWNIMRLFLYIK-ZDUSSCGKSA-N -1 1 264.350 2.639 20 0 CFADMM Cc1cnc(S[C@H]([C@@H]2CCOC2)C(F)(F)F)[n-]c1=O ZINC000901570127 620866541 /nfs/dbraw/zinc/86/65/41/620866541.db2.gz ISIGWVBAQDSHTR-HTQZYQBOSA-N -1 1 294.298 2.550 20 0 CFADMM C[C@@](NCc1cc(-c2ccccc2)no1)(C(=O)[O-])C1CC1 ZINC000827734776 601035399 /nfs/dbraw/zinc/03/53/99/601035399.db2.gz LKKQJRQIPFUJHU-INIZCTEOSA-N -1 1 286.331 2.685 20 0 CFADMM CC[C@@H]1C[C@H](C)CN1Cn1nc(C(=O)[O-])c(Cl)c1C ZINC000829074371 601055083 /nfs/dbraw/zinc/05/50/83/601055083.db2.gz DDIDSODFWQYSJZ-WCBMZHEXSA-N -1 1 285.775 2.621 20 0 CFADMM Cc1cc(C)cc(N(C)Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826264295 607489321 /nfs/dbraw/zinc/48/93/21/607489321.db2.gz JBFBBTZZKMNISB-UHFFFAOYSA-N -1 1 294.362 2.515 20 0 CFADMM Cc1cc(C)cc(N(C)Cc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826264295 607489322 /nfs/dbraw/zinc/48/93/22/607489322.db2.gz JBFBBTZZKMNISB-UHFFFAOYSA-N -1 1 294.362 2.515 20 0 CFADMM C/C(=C\CN1CCc2cc(F)ccc2[C@@H]1C)C(=O)[O-] ZINC000825746112 601170336 /nfs/dbraw/zinc/17/03/36/601170336.db2.gz FINRCCSLKZPRRH-UAWPZABVSA-N -1 1 263.312 2.776 20 0 CFADMM C/C(=C\CNC(C)(C)c1nc(C)c(C)s1)C(=O)[O-] ZINC000825746755 601178757 /nfs/dbraw/zinc/17/87/57/601178757.db2.gz LKGYRECOLBTYAU-SOFGYWHQSA-N -1 1 268.382 2.616 20 0 CFADMM Cc1noc(C)c1CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000833020702 601204182 /nfs/dbraw/zinc/20/41/82/601204182.db2.gz ACHFGWJRKMZSPO-BMIGLBTASA-N -1 1 288.347 2.843 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1cnn(C2CCC2)c1 ZINC000935598196 649920565 /nfs/dbraw/zinc/92/05/65/649920565.db2.gz LYQGERMWKGHQEU-UHFFFAOYSA-N -1 1 292.726 2.614 20 0 CFADMM O=C([O-])c1occc1CN1CCC[C@@H]1c1ccccn1 ZINC000833346908 601319559 /nfs/dbraw/zinc/31/95/59/601319559.db2.gz WYYHLAIOEYQXLW-CYBMUJFWSA-N -1 1 272.304 2.710 20 0 CFADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=NC3CC(C)C3)c12 ZINC000833001989 601380876 /nfs/dbraw/zinc/38/08/76/601380876.db2.gz HGGSVIMRZMOHIQ-UHFFFAOYSA-N -1 1 291.376 2.639 20 0 CFADMM CC1(C)CCCN(Cn2nc(C(=O)[O-])c3ccccc32)C1 ZINC000828065189 601399688 /nfs/dbraw/zinc/39/96/88/601399688.db2.gz REVWYUJVMATQSL-UHFFFAOYSA-N -1 1 287.363 2.814 20 0 CFADMM CO[C@@H](CN[C@@H](C(=O)[O-])c1cccs1)C1CCCC1 ZINC000901597454 620870555 /nfs/dbraw/zinc/87/05/55/620870555.db2.gz HZFVKQRXHRFABD-WCQYABFASA-N -1 1 283.393 2.669 20 0 CFADMM Cc1ccc(C)c(OCCCN2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000832925193 601436989 /nfs/dbraw/zinc/43/69/89/601436989.db2.gz GRPVPJKFIDXXGB-MRXNPFEDSA-N -1 1 295.354 2.571 20 0 CFADMM C[C@@H]1CN(Cc2ncc(-c3cccs3)o2)C[C@@H]1C(=O)[O-] ZINC000828464830 601520205 /nfs/dbraw/zinc/52/02/05/601520205.db2.gz VMPUDPAGXKIOJG-ZJUUUORDSA-N -1 1 292.360 2.556 20 0 CFADMM O=C([O-])c1cc(CNC2(c3nccs3)CCCC2)c[nH]1 ZINC000833296772 601834779 /nfs/dbraw/zinc/83/47/79/601834779.db2.gz WEQVDIRGKRTYPN-UHFFFAOYSA-N -1 1 291.376 2.729 20 0 CFADMM CC(C)c1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000824348102 607546849 /nfs/dbraw/zinc/54/68/49/607546849.db2.gz ZNIOJERJTDTSJD-UHFFFAOYSA-N -1 1 294.362 2.997 20 0 CFADMM CC(C)c1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000824348102 607546850 /nfs/dbraw/zinc/54/68/50/607546850.db2.gz ZNIOJERJTDTSJD-UHFFFAOYSA-N -1 1 294.362 2.997 20 0 CFADMM CC(C)(CC(=O)[O-])NCc1ncc(-c2ccc(F)cc2)o1 ZINC000826542129 602259163 /nfs/dbraw/zinc/25/91/63/602259163.db2.gz KTBKAMMDQRLDGD-UHFFFAOYSA-N -1 1 292.310 2.824 20 0 CFADMM Clc1nsc(NCCC2=CCCC2)c1-c1nnn[n-]1 ZINC000826354355 607809749 /nfs/dbraw/zinc/80/97/49/607809749.db2.gz ZEIQWZAAUXGWHW-UHFFFAOYSA-N -1 1 296.787 2.889 20 0 CFADMM Clc1nsc(NCCC2=CCCC2)c1-c1nn[n-]n1 ZINC000826354355 607809750 /nfs/dbraw/zinc/80/97/50/607809750.db2.gz ZEIQWZAAUXGWHW-UHFFFAOYSA-N -1 1 296.787 2.889 20 0 CFADMM Cc1ccc(CNC[C@H](NC(=O)[O-])c2ccccc2)o1 ZINC000830317196 603177768 /nfs/dbraw/zinc/17/77/68/603177768.db2.gz MWBJLWKKRYANGH-AWEZNQCLSA-N -1 1 274.320 2.687 20 0 CFADMM CCN(CC1CCN(Cc2c(C)noc2C)CC1)C(=O)[O-] ZINC000827099583 603514046 /nfs/dbraw/zinc/51/40/46/603514046.db2.gz QMOVCDRAYFXRQN-UHFFFAOYSA-N -1 1 295.383 2.503 20 0 CFADMM C[C@H](c1ccccc1F)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825639343 603811482 /nfs/dbraw/zinc/81/14/82/603811482.db2.gz SCRPTAQQKBKSBT-GHMZBOCLSA-N -1 1 266.316 2.571 20 0 CFADMM CCC(CC)(CNc1cc(C)ccn1)NC(=O)[O-] ZINC000826566682 604347044 /nfs/dbraw/zinc/34/70/44/604347044.db2.gz SZQXTUAQMKOWCC-UHFFFAOYSA-N -1 1 251.330 2.628 20 0 CFADMM O=C([O-])NCCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000832641847 604358399 /nfs/dbraw/zinc/35/83/99/604358399.db2.gz MGTRFUWLQOBCTB-LBPRGKRZSA-N -1 1 268.744 2.745 20 0 CFADMM CCCN(CC(=O)[O-])Cc1cc2cccc(OC)c2o1 ZINC000829472933 604476081 /nfs/dbraw/zinc/47/60/81/604476081.db2.gz FWMIZGLUILHULV-UHFFFAOYSA-N -1 1 277.320 2.738 20 0 CFADMM C/C(=C/C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)C1CC1 ZINC000833381137 604484557 /nfs/dbraw/zinc/48/45/57/604484557.db2.gz BUQLZGJVINYIDY-FPLPWBNLSA-N -1 1 285.303 2.556 20 0 CFADMM CN(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccc(F)c(F)c1 ZINC000833694832 604532790 /nfs/dbraw/zinc/53/27/90/604532790.db2.gz ROIZMAHNZDVGEN-UHFFFAOYSA-N -1 1 280.274 2.623 20 0 CFADMM C[C@@H]1C[C@@H]1c1ccc(CN2CCSC[C@@H]2CC(=O)[O-])o1 ZINC000091133529 604659351 /nfs/dbraw/zinc/65/93/51/604659351.db2.gz IYUOZQDTFHLUER-MDZLAQPJSA-N -1 1 295.404 2.795 20 0 CFADMM CCc1oc(C(=O)[O-])cc1CN(C)CCOC(C)(C)C ZINC000830355185 604677774 /nfs/dbraw/zinc/67/77/74/604677774.db2.gz BCXUOOLUPVDRLM-UHFFFAOYSA-N -1 1 283.368 2.787 20 0 CFADMM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1ccccc1C1CC1 ZINC000833506209 604770634 /nfs/dbraw/zinc/77/06/34/604770634.db2.gz VHFRNHYVARBTSF-MRXNPFEDSA-N -1 1 291.391 2.874 20 0 CFADMM CC(C)c1cnc(CN[C@]2(C)CCCC[C@@H]2C(=O)[O-])o1 ZINC000833511300 604818714 /nfs/dbraw/zinc/81/87/14/604818714.db2.gz KXQFQNHNRCBXQZ-IAQYHMDHSA-N -1 1 280.368 2.921 20 0 CFADMM C[C@@H](NCCNC(=O)[O-])c1cc(Cl)sc1Cl ZINC000825495104 604911228 /nfs/dbraw/zinc/91/12/28/604911228.db2.gz ASGZCHIHIZBCAM-RXMQYKEDSA-N -1 1 283.180 2.973 20 0 CFADMM CC(C)c1nnc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)o1 ZINC000833512193 604943254 /nfs/dbraw/zinc/94/32/54/604943254.db2.gz ORJSICAUTHFDLX-NSHDSACASA-N -1 1 295.383 2.516 20 0 CFADMM O=C([O-])[C@H](NCc1ccc(F)c(Cl)c1)c1cccnc1 ZINC000833165888 605000004 /nfs/dbraw/zinc/00/00/04/605000004.db2.gz MJEDWYJDZMZFLB-CYBMUJFWSA-N -1 1 294.713 2.790 20 0 CFADMM C/C(=C/CN1CC(c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000833385307 605015378 /nfs/dbraw/zinc/01/53/78/605015378.db2.gz VGPHUINPXSNNNI-POHAHGRESA-N -1 1 288.372 2.726 20 0 CFADMM C/C(=C\CN[C@@H](C)c1cc(F)ccc1F)C(=O)[O-] ZINC000833381453 605065980 /nfs/dbraw/zinc/06/59/80/605065980.db2.gz CAUYXMDIUNMAMT-QRJSTWQJSA-N -1 1 255.264 2.646 20 0 CFADMM CC1CCC(C)(NC(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC000900477183 620680362 /nfs/dbraw/zinc/68/03/62/620680362.db2.gz ULEIHHIEMDKXPV-UHFFFAOYSA-N -1 1 289.379 2.758 20 0 CFADMM C[C@H]1C[C@H](NC2CN(C(=O)[O-])C2)c2ccsc2S1 ZINC000829821790 605098249 /nfs/dbraw/zinc/09/82/49/605098249.db2.gz XIDNKXUSYUBGLZ-XVKPBYJWSA-N -1 1 284.406 2.625 20 0 CFADMM CC(C)(C)C1=CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC000833427651 605112866 /nfs/dbraw/zinc/11/28/66/605112866.db2.gz PGORACKQYSFUNL-UHFFFAOYSA-N -1 1 262.353 2.891 20 0 CFADMM O=C([O-])[C@@H](CC(F)(F)F)NCc1ccc(F)cc1Cl ZINC000901779244 620913402 /nfs/dbraw/zinc/91/34/02/620913402.db2.gz IRSOBJBIWMGPEP-SECBINFHSA-N -1 1 299.651 2.974 20 0 CFADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1cccnc1 ZINC000833680427 605271750 /nfs/dbraw/zinc/27/17/50/605271750.db2.gz JDYLDNLKXMGFGH-JTQLQIEISA-N -1 1 274.320 2.786 20 0 CFADMM CC1=C(C(=O)[O-])C[C@H](CN[C@@H](C)c2c(F)cccc2F)O1 ZINC000833578286 605381962 /nfs/dbraw/zinc/38/19/62/605381962.db2.gz KATVDCBFHWYCOW-WCBMZHEXSA-N -1 1 297.301 2.763 20 0 CFADMM C[C@H]1CCN(Cc2cccc(C(=O)[O-])c2)C[C@H]1F ZINC000833615959 605391293 /nfs/dbraw/zinc/39/12/93/605391293.db2.gz OAZRKBWXNYELRW-GXFFZTMASA-N -1 1 251.301 2.565 20 0 CFADMM Cc1nc([C@H](C)NCCCN(C(=O)[O-])C2CC2)cs1 ZINC000830708756 605479289 /nfs/dbraw/zinc/47/92/89/605479289.db2.gz CLOFONWXTRKSII-VIFPVBQESA-N -1 1 283.397 2.635 20 0 CFADMM C[C@@H](CN(Cc1c(F)cccc1F)C1CC1)C(=O)[O-] ZINC000833516548 605675553 /nfs/dbraw/zinc/67/55/53/605675553.db2.gz OXSOMTWWJPRNPR-VIFPVBQESA-N -1 1 269.291 2.650 20 0 CFADMM O=C([O-])NCCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000834239910 605763971 /nfs/dbraw/zinc/76/39/71/605763971.db2.gz QOUUYPWPZCLOMI-OAHLLOKOSA-N -1 1 287.363 2.963 20 0 CFADMM O=C([O-])N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000739928484 605913699 /nfs/dbraw/zinc/91/36/99/605913699.db2.gz NMDYDMOAHTYSOE-NSHDSACASA-N -1 1 288.269 2.547 20 0 CFADMM CCCCCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821056843 606132267 /nfs/dbraw/zinc/13/22/67/606132267.db2.gz ZAMBGEKBFUHGED-UHFFFAOYSA-N -1 1 280.353 2.665 20 0 CFADMM CCCCCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821056843 606132268 /nfs/dbraw/zinc/13/22/68/606132268.db2.gz ZAMBGEKBFUHGED-UHFFFAOYSA-N -1 1 280.353 2.665 20 0 CFADMM C[C@H](c1ccccc1)[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000820461381 606141856 /nfs/dbraw/zinc/14/18/56/606141856.db2.gz IYWFFZAUUPIMSZ-RYUDHWBXSA-N -1 1 294.362 2.866 20 0 CFADMM C[C@H](c1ccccc1)[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000820461381 606141857 /nfs/dbraw/zinc/14/18/57/606141857.db2.gz IYWFFZAUUPIMSZ-RYUDHWBXSA-N -1 1 294.362 2.866 20 0 CFADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@H]1C ZINC000820769298 606418073 /nfs/dbraw/zinc/41/80/73/606418073.db2.gz SCFHIFLVPGNGIM-GHMZBOCLSA-N -1 1 294.362 2.507 20 0 CFADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@H]1C ZINC000820769298 606418074 /nfs/dbraw/zinc/41/80/74/606418074.db2.gz SCFHIFLVPGNGIM-GHMZBOCLSA-N -1 1 294.362 2.507 20 0 CFADMM Clc1ccc(Nc2ccccc2)nc1-c1nnn[n-]1 ZINC000822579127 606439347 /nfs/dbraw/zinc/43/93/47/606439347.db2.gz WEAZQTIXUQQEQI-UHFFFAOYSA-N -1 1 272.699 2.659 20 0 CFADMM Clc1ccc(Nc2ccccc2)nc1-c1nn[n-]n1 ZINC000822579127 606439349 /nfs/dbraw/zinc/43/93/49/606439349.db2.gz WEAZQTIXUQQEQI-UHFFFAOYSA-N -1 1 272.699 2.659 20 0 CFADMM CC[C@@H](C)[C@@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820859357 606460287 /nfs/dbraw/zinc/46/02/87/606460287.db2.gz DLQWIQPDTTZAFT-HTQZYQBOSA-N -1 1 280.763 2.762 20 0 CFADMM CC[C@@H](C)[C@@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820859357 606460289 /nfs/dbraw/zinc/46/02/89/606460289.db2.gz DLQWIQPDTTZAFT-HTQZYQBOSA-N -1 1 280.763 2.762 20 0 CFADMM C[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H]1C ZINC000820710379 606467930 /nfs/dbraw/zinc/46/79/30/606467930.db2.gz PXZOEDBKJYSLRZ-RKDXNWHRSA-N -1 1 292.774 2.540 20 0 CFADMM C[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H]1C ZINC000820710379 606467929 /nfs/dbraw/zinc/46/79/29/606467929.db2.gz PXZOEDBKJYSLRZ-RKDXNWHRSA-N -1 1 292.774 2.540 20 0 CFADMM Cc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000822205702 606640203 /nfs/dbraw/zinc/64/02/03/606640203.db2.gz FPABGRJDDRLDSP-UHFFFAOYSA-N -1 1 273.271 2.519 20 0 CFADMM Cc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000822205702 606640204 /nfs/dbraw/zinc/64/02/04/606640204.db2.gz FPABGRJDDRLDSP-UHFFFAOYSA-N -1 1 273.271 2.519 20 0 CFADMM Fc1cccc(OCc2ccccc2)c1-c1nnn[n-]1 ZINC000095249548 607864275 /nfs/dbraw/zinc/86/42/75/607864275.db2.gz GCUDUGXATFGMKW-UHFFFAOYSA-N -1 1 270.267 2.585 20 0 CFADMM Fc1cccc(OCc2ccccc2)c1-c1nn[n-]n1 ZINC000095249548 607864276 /nfs/dbraw/zinc/86/42/76/607864276.db2.gz GCUDUGXATFGMKW-UHFFFAOYSA-N -1 1 270.267 2.585 20 0 CFADMM CCc1ccc(Oc2cccc(-c3nnn[n-]3)n2)c(OC)c1 ZINC000825717162 608052006 /nfs/dbraw/zinc/05/20/06/608052006.db2.gz HZKVRVKVPXRAKC-UHFFFAOYSA-N -1 1 297.318 2.625 20 0 CFADMM CCc1ccc(Oc2cccc(-c3nn[n-]n3)n2)c(OC)c1 ZINC000825717162 608052007 /nfs/dbraw/zinc/05/20/07/608052007.db2.gz HZKVRVKVPXRAKC-UHFFFAOYSA-N -1 1 297.318 2.625 20 0 CFADMM CC[C@H]1C[C@H](C)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000825184754 608187756 /nfs/dbraw/zinc/18/77/56/608187756.db2.gz ZAENHSUGOZLKNK-BQBZGAKWSA-N -1 1 298.803 2.601 20 0 CFADMM CC[C@H]1C[C@H](C)CN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000825184754 608187757 /nfs/dbraw/zinc/18/77/57/608187757.db2.gz ZAENHSUGOZLKNK-BQBZGAKWSA-N -1 1 298.803 2.601 20 0 CFADMM CC[C@H]1CC[C@@H](C)N1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825191364 608237043 /nfs/dbraw/zinc/23/70/43/608237043.db2.gz ASINPBBJJRTGAS-BDAKNGLRSA-N -1 1 292.774 2.682 20 0 CFADMM CC[C@H]1CC[C@@H](C)N1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825191364 608237044 /nfs/dbraw/zinc/23/70/44/608237044.db2.gz ASINPBBJJRTGAS-BDAKNGLRSA-N -1 1 292.774 2.682 20 0 CFADMM CC[C@H]1CC[C@@H](C)N1c1snc(Cl)c1-c1nnn[n-]1 ZINC000825191934 608237283 /nfs/dbraw/zinc/23/72/83/608237283.db2.gz DNWMKNPEMHAISS-RQJHMYQMSA-N -1 1 298.803 2.744 20 0 CFADMM CC[C@H]1CC[C@@H](C)N1c1snc(Cl)c1-c1nn[n-]n1 ZINC000825191934 608237284 /nfs/dbraw/zinc/23/72/84/608237284.db2.gz DNWMKNPEMHAISS-RQJHMYQMSA-N -1 1 298.803 2.744 20 0 CFADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H]1CCCC[C@H]1C ZINC000826280700 608541359 /nfs/dbraw/zinc/54/13/59/608541359.db2.gz MLWLOENHARPSOV-MWLCHTKSSA-N -1 1 272.356 2.561 20 0 CFADMM CC[C@H](CC(F)(F)F)C(=O)[N-]O[C@H]1CCCCO1 ZINC000822925082 623204370 /nfs/dbraw/zinc/20/43/70/623204370.db2.gz XDUABBCTRWIJJE-BDAKNGLRSA-N -1 1 269.263 2.539 20 0 CFADMM C[C@H]1Cc2ccccc2N(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000825012428 609173506 /nfs/dbraw/zinc/17/35/06/609173506.db2.gz ISFGWBPTBSRXSF-NSHDSACASA-N -1 1 295.346 2.659 20 0 CFADMM C[C@H]1Cc2ccccc2N(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000825012428 609173508 /nfs/dbraw/zinc/17/35/08/609173508.db2.gz ISFGWBPTBSRXSF-NSHDSACASA-N -1 1 295.346 2.659 20 0 CFADMM CCc1cc(NCc2ccc(-c3nnn[n-]3)o2)ccc1C ZINC000825700870 609346547 /nfs/dbraw/zinc/34/65/47/609346547.db2.gz XEEZBPDRSFGNIT-UHFFFAOYSA-N -1 1 283.335 2.943 20 0 CFADMM CCc1cc(NCc2ccc(-c3nn[n-]n3)o2)ccc1C ZINC000825700870 609346548 /nfs/dbraw/zinc/34/65/48/609346548.db2.gz XEEZBPDRSFGNIT-UHFFFAOYSA-N -1 1 283.335 2.943 20 0 CFADMM CCn1c2cc(F)ccc2nc1-c1ccc(-c2nnn[n-]2)o1 ZINC000825782773 609504068 /nfs/dbraw/zinc/50/40/68/609504068.db2.gz OQQMQQILEYCUMO-UHFFFAOYSA-N -1 1 298.281 2.635 20 0 CFADMM CCn1c2cc(F)ccc2nc1-c1ccc(-c2nn[n-]n2)o1 ZINC000825782773 609504069 /nfs/dbraw/zinc/50/40/69/609504069.db2.gz OQQMQQILEYCUMO-UHFFFAOYSA-N -1 1 298.281 2.635 20 0 CFADMM Cc1ccccc1[C@H](C)C(=O)[N-]OC/C=C\Cl ZINC000936058545 649981442 /nfs/dbraw/zinc/98/14/42/649981442.db2.gz IZPKBJNVVBSFDN-OFSNVTPPSA-N -1 1 253.729 2.899 20 0 CFADMM CC[C@H](C(=O)Nc1cc(F)c([O-])cc1Cl)[C@@H](C)O ZINC000900718891 620704773 /nfs/dbraw/zinc/70/47/73/620704773.db2.gz TWZPWORCSZNFST-RQJHMYQMSA-N -1 1 275.707 2.530 20 0 CFADMM O=C([N-]c1noc2c1CCCC2)c1nc(Cl)cs1 ZINC000900786325 620713317 /nfs/dbraw/zinc/71/33/17/620713317.db2.gz CARXKRPKHQRFSK-UHFFFAOYSA-N -1 1 283.740 2.916 20 0 CFADMM CC1(C)CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC000900835111 620719441 /nfs/dbraw/zinc/71/94/41/620719441.db2.gz BJRVBRBFECOKGA-UHFFFAOYSA-N -1 1 289.379 2.712 20 0 CFADMM O=C(NCc1cccc(O)c1)c1c([O-])cccc1Cl ZINC000049248819 618079630 /nfs/dbraw/zinc/07/96/30/618079630.db2.gz KIBLNCXFROXADE-UHFFFAOYSA-N -1 1 277.707 2.681 20 0 CFADMM C[C@H]1[C@@H](C(F)(F)F)CCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858522322 617624413 /nfs/dbraw/zinc/62/44/13/617624413.db2.gz YNXIRMLBHVCGKT-WDSKDSINSA-N -1 1 281.665 2.613 20 0 CFADMM COCc1nc(N[C@@H](C)c2ccccc2OC)cc(=O)[n-]1 ZINC000891483690 617631934 /nfs/dbraw/zinc/63/19/34/617631934.db2.gz WYRQGOAGDYALQS-JTQLQIEISA-N -1 1 289.335 2.510 20 0 CFADMM CCC[C@@H]1CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000901026986 620743672 /nfs/dbraw/zinc/74/36/72/620743672.db2.gz ZGANYNZUBLGUPE-LLVKDONJSA-N -1 1 289.379 2.712 20 0 CFADMM Cc1cccc(C)c1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623760 617690271 /nfs/dbraw/zinc/69/02/71/617690271.db2.gz SVNQCOGSWIRPBW-UHFFFAOYSA-N -1 1 297.358 2.930 20 0 CFADMM COCc1nc(N2CCC[C@H]2c2ccc(C)cc2)cc(=O)[n-]1 ZINC000891695109 617713554 /nfs/dbraw/zinc/71/35/54/617713554.db2.gz VJFZAVRLZPAEMC-AWEZNQCLSA-N -1 1 299.374 2.979 20 0 CFADMM CSCc1ccc(C[N-]C(=O)C(F)(F)F)cc1 ZINC000804703264 617826443 /nfs/dbraw/zinc/82/64/43/617826443.db2.gz WXNUWVJLMVUARW-UHFFFAOYSA-N -1 1 263.284 2.728 20 0 CFADMM CCC/C=C/[C@@H](O)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000901163563 620760116 /nfs/dbraw/zinc/76/01/16/620760116.db2.gz VVPJQOSBEWTJQG-ZYOFXKKJSA-N -1 1 269.728 2.701 20 0 CFADMM O=C(NOC1CCC1)c1cc2ccccc2cc1[O-] ZINC000812793370 617900138 /nfs/dbraw/zinc/90/01/38/617900138.db2.gz RBHUJBSJOJASJF-UHFFFAOYSA-N -1 1 257.289 2.759 20 0 CFADMM Cc1c(F)cccc1-c1ccc(CN[C@@H](C)C(=O)[O-])o1 ZINC000262041087 617959503 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COCc1csc(CN2CC[C@H](C)C[C@@H]2C(=O)[O-])c1 ZINC000902014373 620958718 /nfs/dbraw/zinc/95/87/18/620958718.db2.gz DTYNNXIAEZTOMA-GXFFZTMASA-N -1 1 283.393 2.580 20 0 CFADMM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1Cc1ccns1 ZINC000902048578 620964080 /nfs/dbraw/zinc/96/40/80/620964080.db2.gz XQQAHCLFOKDCFM-JSGCOSHPSA-N -1 1 294.420 2.999 20 0 CFADMM CCc1oc(CNCc2ccsc2)cc1C(=O)[O-] ZINC000902107452 620975033 /nfs/dbraw/zinc/97/50/33/620975033.db2.gz CCJIJRCRTFQSQP-UHFFFAOYSA-N -1 1 265.334 2.892 20 0 CFADMM CC(C)OC1CCN(Cc2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC000902160430 620985569 /nfs/dbraw/zinc/98/55/69/620985569.db2.gz JVQDOPRMBGVYQM-WAYWQWQTSA-N -1 1 293.363 2.767 20 0 CFADMM CC(C)CCOCCNCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902153320 620988314 /nfs/dbraw/zinc/98/83/14/620988314.db2.gz DAQSJTZDQHQOSZ-WAYWQWQTSA-N -1 1 281.352 2.530 20 0 CFADMM Cc1cccc2c1CC[C@H]2NCc1cccc(C(=O)[O-])n1 ZINC000902230366 621002780 /nfs/dbraw/zinc/00/27/80/621002780.db2.gz DJVYAHXSKAHQFF-OAHLLOKOSA-N -1 1 282.343 2.865 20 0 CFADMM O=C([O-])c1ccc(CN[C@H]2CCc3ccc(F)cc32)o1 ZINC000902236191 621003702 /nfs/dbraw/zinc/00/37/02/621003702.db2.gz PEZDXVCJTYICKS-ZDUSSCGKSA-N -1 1 275.279 2.894 20 0 CFADMM CCc1oc(CNCc2sc(C)nc2C)cc1C(=O)[O-] ZINC000902292625 621016909 /nfs/dbraw/zinc/01/69/09/621016909.db2.gz DKSQUGKXGHRVGE-UHFFFAOYSA-N -1 1 294.376 2.903 20 0 CFADMM O=C([O-])c1cc(CN2CCC(c3ccsc3)CC2)on1 ZINC000902325550 621036851 /nfs/dbraw/zinc/03/68/51/621036851.db2.gz LISSYROQTGJJBC-UHFFFAOYSA-N -1 1 292.360 2.814 20 0 CFADMM CC(C)CO[C@H]1CCN(Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000902405076 621070452 /nfs/dbraw/zinc/07/04/52/621070452.db2.gz KNSHIUBTFMRSMP-GJBLVYBDSA-N -1 1 293.363 2.624 20 0 CFADMM CC1=CCCN(Cc2cn(-c3ccccc3)nc2C(=O)[O-])C1 ZINC000902449609 621090977 /nfs/dbraw/zinc/09/09/77/621090977.db2.gz HGXAGBXFZHJTNK-UHFFFAOYSA-N -1 1 297.358 2.723 20 0 CFADMM Cc1ccc(F)c(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1F ZINC000903409513 621364452 /nfs/dbraw/zinc/36/44/52/621364452.db2.gz YXWYCGSXLFLOCS-KOLCDFICSA-N -1 1 283.318 2.816 20 0 CFADMM Cc1cccc(CN2CCc3cc(C(=O)[O-])ccc3C2)n1 ZINC000903617424 621406098 /nfs/dbraw/zinc/40/60/98/621406098.db2.gz XCMNDQKKKQUGNK-UHFFFAOYSA-N -1 1 282.343 2.647 20 0 CFADMM C[C@H](c1ccccn1)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC000903618739 621406331 /nfs/dbraw/zinc/40/63/31/621406331.db2.gz MHLIZKRLIDYOBK-GFCCVEGCSA-N -1 1 282.343 2.899 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)CC2(F)CC2)c2cccnc12 ZINC000903628672 621409559 /nfs/dbraw/zinc/40/95/59/621409559.db2.gz RYKNJPHKDCKMMU-UHFFFAOYSA-N -1 1 294.351 2.787 20 0 CFADMM CCc1noc(CC)c1CNCc1ccc(C(=O)[O-])s1 ZINC000903681078 621417698 /nfs/dbraw/zinc/41/76/98/621417698.db2.gz RDDALYBZBMVSIR-UHFFFAOYSA-N -1 1 294.376 2.849 20 0 CFADMM C[C@@H](NCCC1(C(=O)[O-])CCC1)c1nc(C(C)(C)C)no1 ZINC000903701701 621421778 /nfs/dbraw/zinc/42/17/78/621421778.db2.gz KTRLSOGQZMEJFY-SNVBAGLBSA-N -1 1 295.383 2.663 20 0 CFADMM O=C([O-])c1cncc(CN2CCS[C@H]3CCCC[C@H]32)c1 ZINC000903894334 621465954 /nfs/dbraw/zinc/46/59/54/621465954.db2.gz UIVWWFBOICYZSR-KGLIPLIRSA-N -1 1 292.404 2.640 20 0 CFADMM CC(C)(C)c1nc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])co1 ZINC000903901095 621467377 /nfs/dbraw/zinc/46/73/77/621467377.db2.gz AELXJLIUUSGAFF-DRZSPHRISA-N -1 1 292.379 2.657 20 0 CFADMM CC(C)(C)c1csc(CN2CCC[C@@H]3C[C@@]32C(=O)[O-])n1 ZINC000903936217 621477896 /nfs/dbraw/zinc/47/78/96/621477896.db2.gz FKZVJUNZOVIKTQ-BMIGLBTASA-N -1 1 294.420 2.880 20 0 CFADMM CN(Cc1ccn(-c2ccccc2)n1)CC1(CC(=O)[O-])CC1 ZINC000903958962 621480033 /nfs/dbraw/zinc/48/00/33/621480033.db2.gz SHYNZCMXUQVJDO-UHFFFAOYSA-N -1 1 299.374 2.559 20 0 CFADMM CSC[C@H](NCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000904040836 621510231 /nfs/dbraw/zinc/51/02/31/621510231.db2.gz VYPHTMDOPUJDPB-JTQLQIEISA-N -1 1 294.203 2.899 20 0 CFADMM CC(C)(C)c1ccc(CNC[C@H](F)C(=O)[O-])s1 ZINC000904044164 621510880 /nfs/dbraw/zinc/51/08/80/621510880.db2.gz ZTHDOLQHBRTWCA-VIFPVBQESA-N -1 1 259.346 2.558 20 0 CFADMM C[C@@H]1C[C@H](C)N(Cc2coc(C3CC3)n2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903952047 621488314 /nfs/dbraw/zinc/48/83/14/621488314.db2.gz JIPVDRNYJVVHEE-YAMSLAJTSA-N -1 1 292.379 2.872 20 0 CFADMM C[C@@H]1C[C@H](C)N(Cc2ncc(C3CC3)o2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903953273 621488780 /nfs/dbraw/zinc/48/87/80/621488780.db2.gz QEPVHMHHVHUDPQ-DZHLUBAWSA-N -1 1 292.379 2.872 20 0 CFADMM Cc1coc(CN[C@H](Cc2cc(C)cc(C)c2)C(=O)[O-])c1 ZINC000904000873 621497646 /nfs/dbraw/zinc/49/76/46/621497646.db2.gz YEWSVHRZIWYNNN-MRXNPFEDSA-N -1 1 287.359 2.990 20 0 CFADMM Cc1coc(CN[C@H](Cc2ccc(C)c(C)c2)C(=O)[O-])c1 ZINC000904020477 621503379 /nfs/dbraw/zinc/50/33/79/621503379.db2.gz IVWOHGWUJXCLOI-MRXNPFEDSA-N -1 1 287.359 2.990 20 0 CFADMM C[C@H](CCc1ccccc1)CNCC(F)(F)C(=O)[O-] ZINC000904032095 621508045 /nfs/dbraw/zinc/50/80/45/621508045.db2.gz IREKBCRNTUUJIP-LLVKDONJSA-N -1 1 271.307 2.565 20 0 CFADMM Cc1ccc2c(c1)[C@@H](NCc1ccc(C(=O)[O-])cn1)CC2 ZINC000905723304 621833789 /nfs/dbraw/zinc/83/37/89/621833789.db2.gz COSMGUGGTGOKIL-INIZCTEOSA-N -1 1 282.343 2.865 20 0 CFADMM Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C(=O)[O-])cn1 ZINC000905724888 621834546 /nfs/dbraw/zinc/83/45/46/621834546.db2.gz OVGWUILRTMSKJY-INIZCTEOSA-N -1 1 282.343 2.865 20 0 CFADMM CCc1onc(C)c1CNCc1cc(C(=O)[O-])cs1 ZINC000905754398 621850053 /nfs/dbraw/zinc/85/00/53/621850053.db2.gz FKKKLNPJGYZOCN-UHFFFAOYSA-N -1 1 280.349 2.595 20 0 CFADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)C1(C2CC2)CCC1 ZINC000905947244 621909707 /nfs/dbraw/zinc/90/97/07/621909707.db2.gz GFJWXOTWIAXFNX-UHFFFAOYSA-N -1 1 287.363 2.580 20 0 CFADMM CC(C)n1cc(-c2cc(C(F)(F)F)n[nH]2)c(C(=O)[O-])n1 ZINC000906242080 621964259 /nfs/dbraw/zinc/96/42/59/621964259.db2.gz ZOFLQTLVVZXFLS-UHFFFAOYSA-N -1 1 288.229 2.571 20 0 CFADMM O=C([N-]c1nnc(C2CC2)s1)c1ccc(Cl)nc1F ZINC000906293724 621970280 /nfs/dbraw/zinc/97/02/80/621970280.db2.gz QMEVZTHPPMHQON-UHFFFAOYSA-N -1 1 298.730 2.855 20 0 CFADMM CCCCc1nnc([N-]C(=O)c2nccnc2Cl)s1 ZINC000906368296 621981163 /nfs/dbraw/zinc/98/11/63/621981163.db2.gz RTYMJODIRYYECI-UHFFFAOYSA-N -1 1 297.771 2.576 20 0 CFADMM CC(C)(C)[C@@H]1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000907345364 622112485 /nfs/dbraw/zinc/11/24/85/622112485.db2.gz LSYPMLUJEIUYJT-LLVKDONJSA-N -1 1 289.379 2.568 20 0 CFADMM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000908369518 622222183 /nfs/dbraw/zinc/22/21/83/622222183.db2.gz CYNYOJYHOWSPPL-RNCFNFMXSA-N -1 1 251.330 2.579 20 0 CFADMM O=C(Nc1cccc([O-])c1Br)C12CC(C1)C2 ZINC000908717595 622268103 /nfs/dbraw/zinc/26/81/03/622268103.db2.gz LRODFLOEMCDRMS-UHFFFAOYSA-N -1 1 282.137 2.893 20 0 CFADMM O=C(Nc1cccc([O-])c1Br)C1CCC1 ZINC000908716651 622268235 /nfs/dbraw/zinc/26/82/35/622268235.db2.gz KMILIZQTUUICTK-UHFFFAOYSA-N -1 1 270.126 2.893 20 0 CFADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909973422 622378226 /nfs/dbraw/zinc/37/82/26/622378226.db2.gz ZJHDRUYBWUSIKC-WEJSYRTGSA-N -1 1 285.290 2.668 20 0 CFADMM CSC[C@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909977423 622378840 /nfs/dbraw/zinc/37/88/40/622378840.db2.gz NVFXLBDHVDWBOY-LURJTMIESA-N -1 1 261.293 2.608 20 0 CFADMM O=C(COC1CCCC1)Nc1cc([O-])c(F)cc1F ZINC000909976102 622378952 /nfs/dbraw/zinc/37/89/52/622378952.db2.gz XICGXXVTSDHQNU-UHFFFAOYSA-N -1 1 271.263 2.568 20 0 CFADMM CC(=O)[C@@H]1C[C@H](C(=O)Nc2cc([O-])c(F)cc2F)C1(C)C ZINC000909986001 622379303 /nfs/dbraw/zinc/37/93/03/622379303.db2.gz WHGQXMRVKDLJOQ-DTWKUNHWSA-N -1 1 297.301 2.860 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)C1(Br)CC1 ZINC000909986813 622380218 /nfs/dbraw/zinc/38/02/18/622380218.db2.gz CLJUWGLNQGPFPP-UHFFFAOYSA-N -1 1 292.079 2.536 20 0 CFADMM Cn1nc(C(=O)Nc2cc([O-])c(F)cc2F)cc1C1CC1 ZINC000909981251 622381183 /nfs/dbraw/zinc/38/11/83/622381183.db2.gz NMTXBGQCJSDZCR-UHFFFAOYSA-N -1 1 293.273 2.534 20 0 CFADMM CC(C)Cn1nccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987961 622381962 /nfs/dbraw/zinc/38/19/62/622381962.db2.gz PFRVUEZSNPHGGZ-UHFFFAOYSA-N -1 1 295.289 2.775 20 0 CFADMM Cn1ncc(C2CC2)c1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988303 622382008 /nfs/dbraw/zinc/38/20/08/622382008.db2.gz FFWYFQVDJHNTAB-UHFFFAOYSA-N -1 1 293.273 2.534 20 0 CFADMM Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000910087657 622403793 /nfs/dbraw/zinc/40/37/93/622403793.db2.gz QTRGDPFVSILZAF-ZETCQYMHSA-N -1 1 293.754 2.877 20 0 CFADMM O=C([O-])c1ccc(NC(=O)CN2CCCC2)c2ccccc12 ZINC000910241601 622417091 /nfs/dbraw/zinc/41/70/91/622417091.db2.gz ADZQNUXZQHXTRD-UHFFFAOYSA-N -1 1 298.342 2.572 20 0 CFADMM C[C@@H]1CN(c2ccncc2C(F)(F)F)CC[C@@H]1C(=O)[O-] ZINC000910318787 622429605 /nfs/dbraw/zinc/42/96/05/622429605.db2.gz VAACXKDZIZJPBB-BDAKNGLRSA-N -1 1 288.269 2.647 20 0 CFADMM C[N@H+]1CCC[C@H]1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000910359774 622435237 /nfs/dbraw/zinc/43/52/37/622435237.db2.gz JRADWBOGPKYWTG-HNNXBMFYSA-N -1 1 298.342 2.571 20 0 CFADMM CN1CCC[C@H]1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000910359774 622435239 /nfs/dbraw/zinc/43/52/39/622435239.db2.gz JRADWBOGPKYWTG-HNNXBMFYSA-N -1 1 298.342 2.571 20 0 CFADMM O=C([N-]C(CF)CF)C(F)(F)c1cccc(Cl)c1 ZINC000833427430 625567198 /nfs/dbraw/zinc/56/71/98/625567198.db2.gz YJHOTRBCJWLYNF-UHFFFAOYSA-N -1 1 283.652 2.856 20 0 CFADMM CC(C)SCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910981352 622493689 /nfs/dbraw/zinc/49/36/89/622493689.db2.gz PJPXDTVJVGLLHQ-UHFFFAOYSA-N -1 1 261.293 2.751 20 0 CFADMM CO[C@@H]1CCC[C@@H](C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910985723 622495162 /nfs/dbraw/zinc/49/51/62/622495162.db2.gz BTWKKCXLSUWYIZ-PSASIEDQSA-N -1 1 285.290 2.814 20 0 CFADMM CC1(C)CO[C@H](CC(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910990760 622496990 /nfs/dbraw/zinc/49/69/90/622496990.db2.gz KHZRVPHEZDCDTL-SECBINFHSA-N -1 1 285.290 2.814 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H](O)C1CCCCC1 ZINC000910995655 622497432 /nfs/dbraw/zinc/49/74/32/622497432.db2.gz ZCIFJDDLWPWTRW-GFCCVEGCSA-N -1 1 285.290 2.550 20 0 CFADMM CC(C)c1ccc(C(=O)Nc2cc(CO)ccn2)c([O-])c1 ZINC000911235190 622515525 /nfs/dbraw/zinc/51/55/25/622515525.db2.gz XUFFEXAMQFWEMD-UHFFFAOYSA-N -1 1 286.331 2.655 20 0 CFADMM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1c([O-])cccc1Cl ZINC000819798577 622558811 /nfs/dbraw/zinc/55/88/11/622558811.db2.gz NPIWHXVJWLFRFK-AYMMMOKOSA-N -1 1 251.713 2.574 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC000820408215 622664736 /nfs/dbraw/zinc/66/47/36/622664736.db2.gz XKSUBEUVJWTCTF-CQSZACIVSA-N -1 1 263.341 2.889 20 0 CFADMM CC1(C)CCCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000820596371 622712131 /nfs/dbraw/zinc/71/21/31/622712131.db2.gz OKNVSDMHFJURGP-NSHDSACASA-N -1 1 272.356 2.642 20 0 CFADMM CC1(C)CCCC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000820596371 622712133 /nfs/dbraw/zinc/71/21/33/622712133.db2.gz OKNVSDMHFJURGP-NSHDSACASA-N -1 1 272.356 2.642 20 0 CFADMM CSC(C)(C)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000150830700 622755885 /nfs/dbraw/zinc/75/58/85/622755885.db2.gz DURGWKKRMRCPBP-UHFFFAOYSA-N -1 1 299.417 2.853 20 0 CFADMM CC(C)(C)CC(=O)Nc1nc(Br)ccc1[O-] ZINC000156397591 622938204 /nfs/dbraw/zinc/93/82/04/622938204.db2.gz BEZSYUHJEWZEEW-UHFFFAOYSA-N -1 1 287.157 2.924 20 0 CFADMM N#Cc1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000057306980 622997843 /nfs/dbraw/zinc/99/78/43/622997843.db2.gz DJMSKYOBEKTSLB-UHFFFAOYSA-N -1 1 286.718 2.847 20 0 CFADMM C[C@@]1(C(=O)Nc2ccc([O-])c(F)c2F)C=CCC1 ZINC000821980215 623014247 /nfs/dbraw/zinc/01/42/47/623014247.db2.gz LINITRXGXCMXBD-CYBMUJFWSA-N -1 1 253.248 2.965 20 0 CFADMM Cc1ccccc1[C@@H](C)C(=O)[N-]OCc1ccccn1 ZINC000822244173 623062041 /nfs/dbraw/zinc/06/20/41/623062041.db2.gz WFAKYJZTXAZSBL-CYBMUJFWSA-N -1 1 270.332 2.742 20 0 CFADMM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncccc1[O-] ZINC000184587503 625622768 /nfs/dbraw/zinc/62/27/68/625622768.db2.gz BEGGRDQLSRGWQS-MDZDMXLPSA-N -1 1 299.286 2.737 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])Cc2c[nH]nc21 ZINC000913595711 623485469 /nfs/dbraw/zinc/48/54/69/623485469.db2.gz XNKIAYYPZIEYAA-MRVPVSSYSA-N -1 1 291.738 2.528 20 0 CFADMM CC(C)CCCCCC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913743702 623573515 /nfs/dbraw/zinc/57/35/15/623573515.db2.gz HQHSHTOQWFMNPA-UHFFFAOYSA-N -1 1 293.415 2.512 20 0 CFADMM O=C(NC[C@@H]1C[C@H]2CCC[C@H]2O1)c1c([O-])cccc1Cl ZINC000834389820 625655599 /nfs/dbraw/zinc/65/55/99/625655599.db2.gz FXAZOGJUUNWHMG-GBIKHYSHSA-N -1 1 295.766 2.733 20 0 CFADMM O=C(CC(F)(F)C(F)F)NCc1ccc([O-])c(Cl)c1 ZINC000913801466 623595266 /nfs/dbraw/zinc/59/52/66/623595266.db2.gz VAEOSHSCPAFRPC-UHFFFAOYSA-N -1 1 299.651 2.952 20 0 CFADMM Cc1ccc([C@@H]2C[C@H]2C(=O)[N-]O[C@@H]2CCCCO2)cc1C ZINC000825025997 623609596 /nfs/dbraw/zinc/60/95/96/623609596.db2.gz CZJSRCTVJSHONB-ARFHVFGLSA-N -1 1 289.375 2.981 20 0 CFADMM CCC[C@H](C)NC(=O)NCCc1c(F)cc([O-])cc1F ZINC000913851360 623620122 /nfs/dbraw/zinc/62/01/22/623620122.db2.gz IAYMRWSXXLJZFT-VIFPVBQESA-N -1 1 286.322 2.701 20 0 CFADMM COc1cc(C(=O)NC[C@@H]2C=CCC2)cc(Cl)c1[O-] ZINC000914277832 623751380 /nfs/dbraw/zinc/75/13/80/623751380.db2.gz NPRKXKGNRWZWME-SECBINFHSA-N -1 1 281.739 2.750 20 0 CFADMM CC(C)(CNC(=O)c1ccc([O-])c(F)c1)C(C)(F)F ZINC000825836831 623759084 /nfs/dbraw/zinc/75/90/84/623759084.db2.gz PJEKHRJKKPIFKY-UHFFFAOYSA-N -1 1 275.270 2.943 20 0 CFADMM 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CFADMM CCc1cc(=O)[n-]c(SC[C@H](COC)C(C)C)n1 ZINC000917512274 624351056 /nfs/dbraw/zinc/35/10/56/624351056.db2.gz CYNRMWLWWIOZIZ-JTQLQIEISA-N -1 1 270.398 2.755 20 0 CFADMM CCc1ncc(CSc2nc(CC)cc(=O)[n-]2)o1 ZINC000917512265 624350872 /nfs/dbraw/zinc/35/08/72/624350872.db2.gz COPAIUFFZDGJAW-UHFFFAOYSA-N -1 1 265.338 2.587 20 0 CFADMM CC[C@@H]1C[C@@H](C)CN1CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829075485 624367050 /nfs/dbraw/zinc/36/70/50/624367050.db2.gz QYNVMQMOYKPKBO-BXKDBHETSA-N -1 1 292.379 2.633 20 0 CFADMM Cc1cnc(SCc2nc(C(C)C)ns2)[n-]c1=O ZINC000917779097 624384401 /nfs/dbraw/zinc/38/44/01/624384401.db2.gz YBWYDBHSTBNTHD-UHFFFAOYSA-N -1 1 282.394 2.758 20 0 CFADMM Cc1cnc(SCCCc2cccnc2)[n-]c1=O ZINC000917777954 624384458 /nfs/dbraw/zinc/38/44/58/624384458.db2.gz MGOMBXPRJHFEKL-UHFFFAOYSA-N -1 1 261.350 2.611 20 0 CFADMM Cc1cnc(SC[C@@H]2CC[C@@H](C(F)(F)F)O2)[n-]c1=O ZINC000917777324 624384507 /nfs/dbraw/zinc/38/45/07/624384507.db2.gz DHWRTACXJWUPMJ-YUMQZZPRSA-N -1 1 294.298 2.693 20 0 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279.299 2.829 20 0 CFADMM C[C@H]1CN(C(=O)c2ncccc2[O-])Cc2ccccc21 ZINC000778310553 628296132 /nfs/dbraw/zinc/29/61/32/628296132.db2.gz WZRZHQVESSWSGM-NSHDSACASA-N -1 1 268.316 2.547 20 0 CFADMM O=C(OCc1ccc(-c2cccs2)cc1)c1cn[n-]n1 ZINC000805608311 628309028 /nfs/dbraw/zinc/30/90/28/628309028.db2.gz CIPRZSRFMXHNOR-UHFFFAOYSA-N -1 1 285.328 2.890 20 0 CFADMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000780913992 628504150 /nfs/dbraw/zinc/50/41/50/628504150.db2.gz QYNJIMXBKXVVNF-ZYHUDNBSSA-N -1 1 279.361 2.900 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc2cccnn21 ZINC000780992406 628511792 /nfs/dbraw/zinc/51/17/92/628511792.db2.gz SVLUDOLNDXRCKW-UHFFFAOYSA-N -1 1 287.706 2.946 20 0 CFADMM O=C(/C=C/c1cccc(O)c1)Nc1c([O-])cccc1F ZINC000781096361 628521005 /nfs/dbraw/zinc/52/10/05/628521005.db2.gz FHSPYSDQVICLPK-BQYQJAHWSA-N -1 1 273.263 2.889 20 0 CFADMM C[C@@H]1CC[C@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000781615812 628566496 /nfs/dbraw/zinc/56/64/96/628566496.db2.gz 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O=C(c1c([O-])cccc1Cl)N1CCC[C@H]1c1cc[nH]n1 ZINC000803247374 630594766 /nfs/dbraw/zinc/59/47/66/630594766.db2.gz FMQUNZIXDFCUGP-NSHDSACASA-N -1 1 291.738 2.746 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@H]2C[C@@H]21 ZINC000804290446 630667571 /nfs/dbraw/zinc/66/75/71/630667571.db2.gz HKLOEVLIOAGXFV-SCZZXKLOSA-N -1 1 251.713 2.670 20 0 CFADMM O=C(N=c1nc(-c2ccccc2)[n-]s1)NOC1CCC1 ZINC000836229688 630775886 /nfs/dbraw/zinc/77/58/86/630775886.db2.gz KYPJFRQZQHQTCD-UHFFFAOYSA-N -1 1 290.348 2.811 20 0 CFADMM O=C(Cc1scnc1-c1ccccc1)[N-]OC1CCC1 ZINC000836799791 630886223 /nfs/dbraw/zinc/88/62/23/630886223.db2.gz OBRCGZORIDNIEI-UHFFFAOYSA-N -1 1 288.372 2.953 20 0 CFADMM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)[N-]OC(C)(C)CO ZINC000836805311 630888072 /nfs/dbraw/zinc/88/80/72/630888072.db2.gz DZOXBFCHCYBWMH-CHWSQXEVSA-N -1 1 291.391 2.795 20 0 CFADMM C/C(=C\C(=O)Nc1ccc([O-])c(F)c1F)C1CC1 ZINC000837087291 630951555 /nfs/dbraw/zinc/95/15/55/630951555.db2.gz YDVALDHLIVMETP-VOTSOKGWSA-N -1 1 253.248 2.965 20 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CC(C)c1noc([C@@H](C)O[N-]C(=O)CC(C)(C)C)n1 ZINC000842062826 631520328 /nfs/dbraw/zinc/52/03/28/631520328.db2.gz DACVHFJZUGPSGH-SECBINFHSA-N -1 1 269.345 2.738 20 0 CFADMM CCCCOc1ccc(C(=O)NOC/C=C\Cl)c([O-])c1 ZINC000812400215 631701967 /nfs/dbraw/zinc/70/19/67/631701967.db2.gz HMDVWFQGGBNXPJ-DAXSKMNVSA-N -1 1 299.754 2.985 20 0 CFADMM C[C@H](C(=O)[N-]OC1CCC1)c1cn(C)c2ccccc12 ZINC000812789762 631776619 /nfs/dbraw/zinc/77/66/19/631776619.db2.gz AHSVKNVAOPVSCC-NSHDSACASA-N -1 1 272.348 2.882 20 0 CFADMM CCS[C@@H](C)c1noc(-c2ccc(N)cc2[O-])n1 ZINC000843192883 631895518 /nfs/dbraw/zinc/89/55/18/631895518.db2.gz ZHJNNDRTMMJTOD-ZETCQYMHSA-N -1 1 265.338 2.839 20 0 CFADMM CCC[C@@H](CC)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000813427422 631919871 /nfs/dbraw/zinc/91/98/71/631919871.db2.gz HLGLDJWTUAMONP-LLVKDONJSA-N -1 1 279.384 2.923 20 0 CFADMM Cc1cc(Br)c([O-])c(NC(=O)C2(F)CC2)c1 ZINC000843848690 632066635 /nfs/dbraw/zinc/06/66/35/632066635.db2.gz HRWCMDMXZMJWGD-UHFFFAOYSA-N -1 1 288.116 2.904 20 0 CFADMM CC(C)Cn1nccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000843867509 632069871 /nfs/dbraw/zinc/06/98/71/632069871.db2.gz YTDYCHMAWOXWAR-UHFFFAOYSA-N -1 1 294.742 2.545 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C(C)C)C1CC1 ZINC000856126355 635733459 /nfs/dbraw/zinc/73/34/59/635733459.db2.gz SNUKWMLMQFUPIQ-CYBMUJFWSA-N -1 1 291.395 2.778 20 0 CFADMM [O-]c1cccc(CNCc2cccnc2F)c1Cl ZINC000815138171 632213877 /nfs/dbraw/zinc/21/38/77/632213877.db2.gz FROGGVYHHOPBRU-UHFFFAOYSA-N -1 1 266.703 2.870 20 0 CFADMM CC(=O)c1cc(C(=O)Nc2nc(Cl)ccc2[O-])cs1 ZINC000816426871 632454063 /nfs/dbraw/zinc/45/40/63/632454063.db2.gz ADCGCIPRMXEPOD-UHFFFAOYSA-N -1 1 296.735 2.957 20 0 CFADMM CN(Cc1cccc([O-])c1Cl)[C@H]1CC(C)(C)OC1=O ZINC000816618304 632496322 /nfs/dbraw/zinc/49/63/22/632496322.db2.gz USRHUDYZRXMGDC-JTQLQIEISA-N -1 1 283.755 2.572 20 0 CFADMM CC(C)(C)C(C)(C)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000817219547 632574747 /nfs/dbraw/zinc/57/47/47/632574747.db2.gz BTYFNLPPFZMEGQ-UHFFFAOYSA-N -1 1 292.408 2.573 20 0 CFADMM CC(C)[C@@H](CO)O[N-]C(=O)[C@H](C)c1ccc(Cl)cc1 ZINC000846241709 632672403 /nfs/dbraw/zinc/67/24/03/632672403.db2.gz JBYDKEXXXQJCJR-ZWNOBZJWSA-N -1 1 285.771 2.508 20 0 CFADMM C[C@@H]1CCOCCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000846248293 632673047 /nfs/dbraw/zinc/67/30/47/632673047.db2.gz DDUQTFIMCCTRHO-SNVBAGLBSA-N -1 1 283.755 2.649 20 0 CFADMM Cc1cnc(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])cn1 ZINC000846263327 632677282 /nfs/dbraw/zinc/67/72/82/632677282.db2.gz VVNNTWREGGIDQO-ZDUSSCGKSA-N -1 1 299.374 2.508 20 0 CFADMM CCC[C@@H](C)[C@@H](CO)NC(=O)c1c([O-])cccc1Cl ZINC000846360386 632695999 /nfs/dbraw/zinc/69/59/99/632695999.db2.gz LXTLVKFZUWQFTE-MWLCHTKSSA-N -1 1 285.771 2.573 20 0 CFADMM Cc1cnc(C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)c([O-])c1 ZINC000846410750 632705735 /nfs/dbraw/zinc/70/57/35/632705735.db2.gz KLJYTFSADWIIMK-OLZOCXBDSA-N -1 1 286.734 2.530 20 0 CFADMM C[C@@H](CF)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000885414312 632753815 /nfs/dbraw/zinc/75/38/15/632753815.db2.gz 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/nfs/dbraw/zinc/78/37/61/633783761.db2.gz CUCLWUQBPWJTNG-UHFFFAOYSA-N -1 1 296.388 2.822 20 0 CFADMM CCCCCC[C@H](C)NC(=O)c1cncc([O-])c1 ZINC000109040853 633796649 /nfs/dbraw/zinc/79/66/49/633796649.db2.gz DCPTZBFJMGGNOA-NSHDSACASA-N -1 1 250.342 2.876 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@H](C)Cc2ccsc2)[n-]1 ZINC000851148653 634250034 /nfs/dbraw/zinc/25/00/34/634250034.db2.gz IDQVCXIZCNZBBF-SECBINFHSA-N -1 1 293.344 2.651 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@@H](C)Cc2ccsc2)[n-]1 ZINC000851148654 634250085 /nfs/dbraw/zinc/25/00/85/634250085.db2.gz IDQVCXIZCNZBBF-VIFPVBQESA-N -1 1 293.344 2.651 20 0 CFADMM CCc1cccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1O ZINC000885646373 635009900 /nfs/dbraw/zinc/00/99/00/635009900.db2.gz OPLRTHGVKAQFEI-UHFFFAOYSA-N -1 1 299.330 2.580 20 0 CFADMM CCC(C)=CC(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000854506755 635320494 /nfs/dbraw/zinc/32/04/94/635320494.db2.gz HPHMGHWEFAGOFC-VQHVLOKHSA-N -1 1 260.293 2.747 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C(C)(C)C1CCCCC1 ZINC000854634905 635352191 /nfs/dbraw/zinc/35/21/91/635352191.db2.gz IRBPOEZIQMTCOV-UHFFFAOYSA-N -1 1 265.357 2.969 20 0 CFADMM CCC(=O)OCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000010746117 635711285 /nfs/dbraw/zinc/71/12/85/635711285.db2.gz IERCMUFFCSFZOM-UHFFFAOYSA-N -1 1 276.288 2.514 20 0 CFADMM COc1cc(C(=O)NOCC2CCC2)cc(Cl)c1[O-] ZINC000856346426 635789300 /nfs/dbraw/zinc/78/93/00/635789300.db2.gz ZSGHYECUBHVUEG-UHFFFAOYSA-N -1 1 285.727 2.516 20 0 CFADMM O=C([N-]OCC1CCC1)[C@@H]1CCCc2c(O)cccc21 ZINC000856350223 635792048 /nfs/dbraw/zinc/79/20/48/635792048.db2.gz GARQJVLJHRSZTE-CQSZACIVSA-N -1 1 275.348 2.660 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)C[C@H]1CC1(C)C ZINC000856462993 635817179 /nfs/dbraw/zinc/81/71/79/635817179.db2.gz SQFGBCDMNBBWAF-LLVKDONJSA-N -1 1 291.395 2.732 20 0 CFADMM CC12CC(C1)CN2C(=O)c1c([O-])cccc1Cl ZINC000856511317 635829563 /nfs/dbraw/zinc/82/95/63/635829563.db2.gz VHEWTRJZJWQVQA-UHFFFAOYSA-N -1 1 251.713 2.670 20 0 CFADMM C/C(=C/C(=O)[N-]O[C@@H]1CCCCO1)c1cccs1 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776825751 /nfs/dbraw/zinc/82/57/51/776825751.db2.gz MIHLPHUWBRVRMM-MRXNPFEDSA-N -1 1 285.299 2.892 20 0 CFADMM O=C1[N-]C(=O)[C@H](Cc2ccc(OC3CCC3)cc2)S1 ZINC001229619215 776857761 /nfs/dbraw/zinc/85/77/61/776857761.db2.gz VMHARGZOFBQNMN-LBPRGKRZSA-N -1 1 277.345 2.512 20 0 CFADMM CCCC[C@H](CCC)Oc1nc(=O)[n-]cc1C(=O)OC ZINC001229871109 776908684 /nfs/dbraw/zinc/90/86/84/776908684.db2.gz QJKKWUCBOLIDCB-JTQLQIEISA-N -1 1 282.340 2.707 20 0 CFADMM COc1c(Cl)cccc1[N-]S(=O)(=O)CC1CCC1 ZINC000092862820 776909329 /nfs/dbraw/zinc/90/93/29/776909329.db2.gz HLJIVQNAQQJGOI-UHFFFAOYSA-N -1 1 289.784 2.890 20 0 CFADMM COc1c(=O)[n-]c(C)nc1O[C@H]1CCc2ccccc21 ZINC001230019495 776941160 /nfs/dbraw/zinc/94/11/60/776941160.db2.gz JUSWZZPGVCSGAE-LBPRGKRZSA-N -1 1 272.304 2.566 20 0 CFADMM COc1c(O[C@@H]2C[C@H](C)CC[C@H]2C)nc(C)[n-]c1=O ZINC001230020852 776942331 /nfs/dbraw/zinc/94/23/31/776942331.db2.gz GUBZOJRWXWJHAP-FXPVBKGRSA-N -1 1 266.341 2.703 20 0 CFADMM COc1c(O[C@H]2CCCC(C)(C)C2)nc(C)[n-]c1=O ZINC001230025075 776943375 /nfs/dbraw/zinc/94/33/75/776943375.db2.gz INHBCPXCRDBVFC-JTQLQIEISA-N -1 1 266.341 2.847 20 0 CFADMM COC(=O)c1c[n-]c(O[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)n1 ZINC001230280729 776971019 /nfs/dbraw/zinc/97/10/19/776971019.db2.gz ZVDMALJPRMFONP-OSQNNJELSA-N -1 1 278.352 2.790 20 0 CFADMM COC(=O)c1c[n-]c(O[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)n1 ZINC001230279069 776971359 /nfs/dbraw/zinc/97/13/59/776971359.db2.gz BTQFYVMFSAKCHM-ONENECBXSA-N -1 1 278.352 2.790 20 0 CFADMM COC(=O)c1c[n-]c(O[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC001230282715 776972208 /nfs/dbraw/zinc/97/22/08/776972208.db2.gz YLCZQUZSYDJZES-ZETCQYMHSA-N -1 1 282.246 2.615 20 0 CFADMM CO[C@H]1CCCC[C@@H]1Oc1cc([O-])cc(O)c1C(C)=O ZINC001225674318 777169362 /nfs/dbraw/zinc/16/93/62/777169362.db2.gz GSHZMNYERCRHHH-STQMWFEESA-N -1 1 280.320 2.637 20 0 CFADMM CC[C@@H](COC)Oc1cccnc1-c1ncccc1[O-] ZINC001231200627 777169893 /nfs/dbraw/zinc/16/98/93/777169893.db2.gz QJYYNFVUXSQYCT-NSHDSACASA-N -1 1 274.320 2.653 20 0 CFADMM CN(Cc1ccc(C(=O)[O-])s1)C1CC(F)(F)C1 ZINC001231461729 777228687 /nfs/dbraw/zinc/22/86/87/777228687.db2.gz PMALEXVNAXSTOI-UHFFFAOYSA-N -1 1 261.293 2.676 20 0 CFADMM C[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1ccc(F)cc1 ZINC001225765210 777263059 /nfs/dbraw/zinc/26/30/59/777263059.db2.gz IRHVNXMVWYMUQK-ZETCQYMHSA-N -1 1 266.297 2.750 20 0 CFADMM O=C1CN(Cc2ccc(Cl)c([O-])c2)CCC[C@@H]1F ZINC001231732804 777312539 /nfs/dbraw/zinc/31/25/39/777312539.db2.gz GMFZNOSSEIPHLA-NSHDSACASA-N -1 1 271.719 2.549 20 0 CFADMM CC(=O)C1CCN(Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231733776 777318780 /nfs/dbraw/zinc/31/87/80/777318780.db2.gz GYHQTIHNKGWRDR-UHFFFAOYSA-N -1 1 267.756 2.847 20 0 CFADMM Cc1n[n-]c(=NCc2cccn2CCC(C)C)n1C1CC1 ZINC000340702065 777592911 /nfs/dbraw/zinc/59/29/11/777592911.db2.gz RAPNBXHJPMUTSD-UHFFFAOYSA-N -1 1 287.411 2.803 20 0 CFADMM [O-]c1cccc(CN2CC3(C2)CCCCO3)c1Cl ZINC001232786245 777667887 /nfs/dbraw/zinc/66/78/87/777667887.db2.gz TZIZEMKOVWIMSI-UHFFFAOYSA-N -1 1 267.756 2.801 20 0 CFADMM [O-]c1c(F)ccc(CN2CCc3c(O)cccc3C2)c1F ZINC001232931100 777722904 /nfs/dbraw/zinc/72/29/04/777722904.db2.gz IZTVITRFIJGASE-UHFFFAOYSA-N -1 1 291.297 2.934 20 0 CFADMM C[C@H]1C[C@@H](CF)N(Cc2ccc(F)c([O-])c2F)C1 ZINC001232932245 777723623 /nfs/dbraw/zinc/72/36/23/777723623.db2.gz WQWSWGXONMQAJW-WPRPVWTQSA-N -1 1 259.271 2.850 20 0 CFADMM [O-]c1c(F)ccc(CN2CCC(n3cccn3)CC2)c1F ZINC001232937204 777725728 /nfs/dbraw/zinc/72/57/28/777725728.db2.gz JYZVTEVEIHAKPT-UHFFFAOYSA-N -1 1 293.317 2.704 20 0 CFADMM CC(=O)[C@H]1CCCCN1Cc1ccc(F)c([O-])c1F ZINC001232937677 777729211 /nfs/dbraw/zinc/72/92/11/777729211.db2.gz QTEWERPFLYIEJC-GFCCVEGCSA-N -1 1 269.291 2.614 20 0 CFADMM C[C@]1(CO)CCC[N@@H+](Cc2cc(O)c(F)c(F)c2)CC1 ZINC001232968450 777744837 /nfs/dbraw/zinc/74/48/37/777744837.db2.gz BOMOKAZIANDDER-HNNXBMFYSA-N -1 1 285.334 2.655 20 0 CFADMM [O-]c1cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc(F)c1F ZINC001232969716 777745185 /nfs/dbraw/zinc/74/51/85/777745185.db2.gz ULYCKHXRHHLKRV-BXUZGUMPSA-N -1 1 283.318 2.671 20 0 CFADMM [O-]c1cc(CN2CCC[C@H]2c2cnccn2)cc(F)c1F ZINC001232973048 777749586 /nfs/dbraw/zinc/74/95/86/777749586.db2.gz KQFZFXILBCDNMR-ZDUSSCGKSA-N -1 1 291.301 2.798 20 0 CFADMM CN(CC(=O)c1ccccc1)Cc1cc(Cl)ncc1[O-] ZINC001233038798 777771355 /nfs/dbraw/zinc/77/13/55/777771355.db2.gz HRVLOTNPNPIZHE-UHFFFAOYSA-N -1 1 290.750 2.755 20 0 CFADMM COc1cccc2c1CN(Cc1cc(Cl)ncc1[O-])C2 ZINC001233037451 777773317 /nfs/dbraw/zinc/77/33/17/777773317.db2.gz ARVBXHQGGANOSO-UHFFFAOYSA-N -1 1 290.750 2.965 20 0 CFADMM COCC(=O)c1ccc([O-])cc1O[C@H]1CCCC[C@@H]1F ZINC001227171891 777777044 /nfs/dbraw/zinc/77/70/44/777777044.db2.gz HXQSCXGOEZJKBA-JSGCOSHPSA-N -1 1 282.311 2.881 20 0 CFADMM C[C@H](Oc1[n-]c(=S)ncc1F)c1ncccc1F ZINC001227383000 777828343 /nfs/dbraw/zinc/82/83/43/777828343.db2.gz IBEUQTOAFFFDHQ-LURJTMIESA-N -1 1 269.276 2.579 20 0 CFADMM CCCC(=O)c1ccc([O-])cc1O[C@H]1CCCOC1 ZINC001233650955 778024645 /nfs/dbraw/zinc/02/46/45/778024645.db2.gz URPXQWIGTHDYBY-LBPRGKRZSA-N -1 1 264.321 2.933 20 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MTPAMLYEUAQMGR-NSHDSACASA-N -1 1 295.383 2.717 20 0 CFADMM CC[C@@H](C)[C@H](C)Oc1c(=O)[n-]c(C(C)C)nc1C(=O)OC ZINC001234562110 778251852 /nfs/dbraw/zinc/25/18/52/778251852.db2.gz WLSBLWFZZZAWPB-ZJUUUORDSA-N -1 1 296.367 2.906 20 0 CFADMM CCCCC[C@H](C)Oc1c(C(N)=O)nc(C(C)C)[n-]c1=O ZINC001234560663 778252276 /nfs/dbraw/zinc/25/22/76/778252276.db2.gz HDUNNQPZTBUPSX-JTQLQIEISA-N -1 1 295.383 2.752 20 0 CFADMM CCC[C@H](Oc1c(=O)[n-]c(C)nc1C(=O)OC)[C@@H](C)CC ZINC001234564881 778254019 /nfs/dbraw/zinc/25/40/19/778254019.db2.gz QQEWBHVDFBZALJ-ONGXEEELSA-N -1 1 296.367 2.871 20 0 CFADMM COC(=O)c1nc(C)[n-]c(=O)c1O[C@@H](C)CCCC(C)C ZINC001234565335 778254138 /nfs/dbraw/zinc/25/41/38/778254138.db2.gz WIHJJWJRFSHVPJ-JTQLQIEISA-N -1 1 296.367 2.871 20 0 CFADMM CCC[C@H](Oc1nc2sccc2[n-]1)C(=O)OCC ZINC001234847502 778307714 /nfs/dbraw/zinc/30/77/14/778307714.db2.gz JPBSYQLWCUNOSH-VIFPVBQESA-N -1 1 268.338 2.735 20 0 CFADMM CCCCOC(=O)[C@@H](C)Oc1nc2sccc2[n-]1 ZINC001234848203 778308584 /nfs/dbraw/zinc/30/85/84/778308584.db2.gz NLYAVFCHLRHVAR-MRVPVSSYSA-N -1 1 268.338 2.735 20 0 CFADMM c1cc2[n-]c(O[C@H]3COc4cnccc43)nc2s1 ZINC001234856385 778311758 /nfs/dbraw/zinc/31/17/58/778311758.db2.gz XDVKPBZVOHRVKT-JTQLQIEISA-N -1 1 259.290 2.532 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc(C(=O)[O-])cc3)cc2[nH]1 ZINC001236060045 778672926 /nfs/dbraw/zinc/67/29/26/778672926.db2.gz IBMJZFXDOGRVAI-UHFFFAOYSA-N -1 1 296.282 2.715 20 0 CFADMM CNC(=S)Nc1ccc(-c2c(F)ccc(C)c2[O-])nc1 ZINC001236391582 778799374 /nfs/dbraw/zinc/79/93/74/778799374.db2.gz LGMYEJRTMDSPPX-UHFFFAOYSA-N -1 1 291.351 2.818 20 0 CFADMM Cc1ccc(F)c(-c2ncnc3[nH]cc(F)c32)c1[O-] ZINC001236389876 778799882 /nfs/dbraw/zinc/79/98/82/778799882.db2.gz GZDWTAQRMLKZBN-UHFFFAOYSA-N -1 1 261.231 2.869 20 0 CFADMM Cc1ccc(F)c(-c2ncnc3c2[C@@H](C)CC(=O)N3)c1[O-] ZINC001236394409 778802149 /nfs/dbraw/zinc/80/21/49/778802149.db2.gz XUPUAQSKAFOYSX-QMMMGPOBSA-N -1 1 287.294 2.742 20 0 CFADMM Cc1ccc(F)c(-c2ccc3c(n2)NCCO3)c1[O-] ZINC001236413511 778807718 /nfs/dbraw/zinc/80/77/18/778807718.db2.gz AMDJFFRYXYBYNQ-UHFFFAOYSA-N -1 1 260.268 2.706 20 0 CFADMM O=[P@]([O-])(O)CCCCO[C@@H]1CCc2ccccc21 ZINC001225018532 778814100 /nfs/dbraw/zinc/81/41/00/778814100.db2.gz ACMVTTMXASCACD-CYBMUJFWSA-N -1 1 270.265 2.648 20 0 CFADMM Cc1ncccc1C[N@@H+](C)Cc1ccc(F)c(O)c1 ZINC001236708312 778916871 /nfs/dbraw/zinc/91/68/71/778916871.db2.gz QVRNWJQCCJDZGA-UHFFFAOYSA-N -1 1 260.312 2.867 20 0 CFADMM CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)c(O)c2)C1 ZINC001236714547 778919270 /nfs/dbraw/zinc/91/92/70/778919270.db2.gz UMNIQELMWQGWQS-CYBMUJFWSA-N -1 1 295.354 2.697 20 0 CFADMM [O-]c1c(F)cc(CN2CCC[C@@H](CCO)C2)cc1Cl ZINC001237997736 779226115 /nfs/dbraw/zinc/22/61/15/779226115.db2.gz OJSDOVYMPKEAMC-JTQLQIEISA-N -1 1 287.762 2.779 20 0 CFADMM CC(=O)[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1C ZINC001238146012 779262380 /nfs/dbraw/zinc/26/23/80/779262380.db2.gz SUDCBQRARRMXAI-HNNXBMFYSA-N -1 1 275.348 2.637 20 0 CFADMM Cc1cc2c(c(-c3cccc(Cl)c3F)n1)C(=O)[N-]C2=O ZINC001238954069 779425823 /nfs/dbraw/zinc/42/58/23/779425823.db2.gz DNZUDKHTNUNNFV-UHFFFAOYSA-N -1 1 290.681 2.733 20 0 CFADMM COC(=O)c1nc2cc(-c3cccc(CCO)c3)ccc2[n-]1 ZINC001239032733 779445461 /nfs/dbraw/zinc/44/54/61/779445461.db2.gz XAUZGYQTBUABRW-UHFFFAOYSA-N -1 1 296.326 2.551 20 0 CFADMM COC(=O)c1nc2ccc(-c3cccc(CCO)c3)cc2[n-]1 ZINC001239032733 779445463 /nfs/dbraw/zinc/44/54/63/779445463.db2.gz XAUZGYQTBUABRW-UHFFFAOYSA-N -1 1 296.326 2.551 20 0 CFADMM COc1cc(OC)nc(-c2c(F)ccc(C)c2[O-])c1 ZINC001236391096 779557006 /nfs/dbraw/zinc/55/70/06/779557006.db2.gz HPQKSOYIKQJYEG-UHFFFAOYSA-N -1 1 263.268 2.919 20 0 CFADMM CSc1ccc(-c2nc(C)cc3c2C(=O)[N-]C3=O)cc1 ZINC001239496614 779592357 /nfs/dbraw/zinc/59/23/57/779592357.db2.gz PXBPGQJEBWOLOS-UHFFFAOYSA-N -1 1 284.340 2.663 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3cncc(OC)c3)cc2[n-]1 ZINC001239932635 779869551 /nfs/dbraw/zinc/86/95/51/779869551.db2.gz YNDVJPLRSQZVRL-UHFFFAOYSA-N -1 1 297.314 2.810 20 0 CFADMM CCOC(=O)c1nc2cc(-c3cncc(OC)c3)ccc2[n-]1 ZINC001239932635 779869553 /nfs/dbraw/zinc/86/95/53/779869553.db2.gz YNDVJPLRSQZVRL-UHFFFAOYSA-N -1 1 297.314 2.810 20 0 CFADMM O=C(NCc1ccccc1)Nc1cc(F)c([O-])c(F)c1 ZINC000169106559 780076700 /nfs/dbraw/zinc/07/67/00/780076700.db2.gz CBYCERYYYYUQRY-UHFFFAOYSA-N -1 1 278.258 2.992 20 0 CFADMM O=C([O-])C=Cc1cccc(-c2nccc3[nH]cnc32)c1 ZINC001240548753 780242439 /nfs/dbraw/zinc/24/24/39/780242439.db2.gz XLLDQRIIXBZMEM-SNAWJCMRSA-N -1 1 265.272 2.723 20 0 CFADMM O=C([O-])C=Cc1cccc(-c2[nH]ccc3ncnc2-3)c1 ZINC001240548753 780242442 /nfs/dbraw/zinc/24/24/42/780242442.db2.gz XLLDQRIIXBZMEM-SNAWJCMRSA-N -1 1 265.272 2.723 20 0 CFADMM COC(=O)c1nc2cc(-c3ccncc3C)ccc2[n-]1 ZINC001240610130 780286646 /nfs/dbraw/zinc/28/66/46/780286646.db2.gz BUAQQBPDNXHSSF-UHFFFAOYSA-N -1 1 267.288 2.720 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccncc3C)cc2[n-]1 ZINC001240610130 780286652 /nfs/dbraw/zinc/28/66/52/780286652.db2.gz BUAQQBPDNXHSSF-UHFFFAOYSA-N -1 1 267.288 2.720 20 0 CFADMM O=C(NCC1SCCS1)c1ccc(Cl)cc1[O-] ZINC000693708424 780350122 /nfs/dbraw/zinc/35/01/22/780350122.db2.gz LTABSTVFPSWUNS-UHFFFAOYSA-N -1 1 289.809 2.582 20 0 CFADMM CCOC(=O)Cc1cccnc1-c1cc(F)ccc1[O-] ZINC001240693294 780363883 /nfs/dbraw/zinc/36/38/83/780363883.db2.gz LKTPIYTWPCRFRU-UHFFFAOYSA-N -1 1 275.279 2.699 20 0 CFADMM CC(C)(C)C(=O)Nc1ccc(-c2cc(F)ccc2[O-])nn1 ZINC001240693794 780364288 /nfs/dbraw/zinc/36/42/88/780364288.db2.gz ZAPZBKKOCLUPST-UHFFFAOYSA-N -1 1 289.310 2.973 20 0 CFADMM COC(=O)c1nc(-c2cc(F)ccc2[O-])cc(C2CC2)n1 ZINC001240696650 780368607 /nfs/dbraw/zinc/36/86/07/780368607.db2.gz VEINUXGFSRHAEW-UHFFFAOYSA-N -1 1 288.278 2.652 20 0 CFADMM [O-]c1ccc(F)cc1-c1cc(O[C@H]2CCOC2)ccn1 ZINC001240698386 780370770 /nfs/dbraw/zinc/37/07/70/780370770.db2.gz YNTKDISGPUITRJ-LBPRGKRZSA-N -1 1 275.279 2.761 20 0 CFADMM COc1ccc(F)cc1-c1noc(-c2ncccc2[O-])n1 ZINC001212480921 780395549 /nfs/dbraw/zinc/39/55/49/780395549.db2.gz PXNBXYCRTOBGMN-UHFFFAOYSA-N -1 1 287.250 2.652 20 0 CFADMM [O-]c1cccnc1-c1nc(-c2cc(F)c(F)cc2F)no1 ZINC001212481021 780395761 /nfs/dbraw/zinc/39/57/61/780395761.db2.gz VSKFXVDOSDAUCB-UHFFFAOYSA-N -1 1 293.204 2.922 20 0 CFADMM COc1cc(-c2ccc3nc[nH]c3c2)ccc1C(=O)[O-] ZINC001240743344 780408950 /nfs/dbraw/zinc/40/89/50/780408950.db2.gz UTBSOYFXTAONGV-UHFFFAOYSA-N -1 1 268.272 2.937 20 0 CFADMM Cc1cc2c(c(-c3ccc(C(F)F)cc3)n1)C(=O)[N-]C2=O ZINC001240767837 780427605 /nfs/dbraw/zinc/42/76/05/780427605.db2.gz WNSXLXKMUOOSLJ-UHFFFAOYSA-N -1 1 288.253 2.878 20 0 CFADMM [O-]c1ccc(-c2nccc(N3CCCCC3)n2)cc1F ZINC001240781638 780435329 /nfs/dbraw/zinc/43/53/29/780435329.db2.gz DBUPMXYJLJDZBV-UHFFFAOYSA-N -1 1 273.311 2.979 20 0 CFADMM COCc1cc(-c2ccc([O-])c(F)c2)nc(SC)n1 ZINC001240781959 780436259 /nfs/dbraw/zinc/43/62/59/780436259.db2.gz MWMFJHIDBJDHGP-UHFFFAOYSA-N -1 1 280.324 2.857 20 0 CFADMM CCN(CC)c1cncc(-c2ccc([O-])c(F)c2)n1 ZINC001240782373 780436302 /nfs/dbraw/zinc/43/63/02/780436302.db2.gz YAKDDSRXGXLSNG-UHFFFAOYSA-N -1 1 261.300 2.835 20 0 CFADMM CC(C)(C)OC(=O)c1cnc(-c2ccc([O-])c(F)c2)cn1 ZINC001240786466 780440772 /nfs/dbraw/zinc/44/07/72/780440772.db2.gz UOIXKKXLKKHCQC-UHFFFAOYSA-N -1 1 290.294 2.944 20 0 CFADMM CN(C)c1cccc(-c2c(F)cc([O-])cc2F)n1 ZINC001241117810 780646277 /nfs/dbraw/zinc/64/62/77/780646277.db2.gz YXJAATCINXKYKC-UHFFFAOYSA-N -1 1 250.248 2.798 20 0 CFADMM CC(C)Oc1cnc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241118053 780646615 /nfs/dbraw/zinc/64/66/15/780646615.db2.gz DUYFWVUJHQHMII-UHFFFAOYSA-N -1 1 266.247 2.915 20 0 CFADMM COc1ccc(-c2c(F)cc([O-])cc2F)nc1OC ZINC001241120341 780648595 /nfs/dbraw/zinc/64/85/95/780648595.db2.gz PNVRXCOHEOUQLN-UHFFFAOYSA-N -1 1 267.231 2.750 20 0 CFADMM [O-]c1cc(F)c(-c2ccc(N3CCOCC3)cn2)c(F)c1 ZINC001241120248 780648769 /nfs/dbraw/zinc/64/87/69/780648769.db2.gz OAMAMUICMUOITB-UHFFFAOYSA-N -1 1 292.285 2.569 20 0 CFADMM COC(=O)c1cncc(-c2c(F)cc([O-])cc2F)c1C ZINC001241121504 780649469 /nfs/dbraw/zinc/64/94/69/780649469.db2.gz LCSULPPJWRGJKR-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM Cc1nnc2ccc(-c3c(F)cc([O-])cc3F)cn12 ZINC001241121167 780649764 /nfs/dbraw/zinc/64/97/64/780649764.db2.gz CPBKPBNYGZWGRP-UHFFFAOYSA-N -1 1 261.231 2.689 20 0 CFADMM O=C1NCc2c1cccc2-c1c(F)cc([O-])cc1F ZINC001241122374 780650731 /nfs/dbraw/zinc/65/07/31/780650731.db2.gz NLDATDXYIPSNTL-UHFFFAOYSA-N -1 1 261.227 2.581 20 0 CFADMM O=c1cnc(-c2c(F)cc([O-])cc2F)cn1C1CCC1 ZINC001241125113 780652365 /nfs/dbraw/zinc/65/23/65/780652365.db2.gz RWACFGKCQIWRNO-UHFFFAOYSA-N -1 1 278.258 2.619 20 0 CFADMM COc1cccc(N)c1-c1c(F)cc([O-])cc1F ZINC001241122575 780652371 /nfs/dbraw/zinc/65/23/71/780652371.db2.gz GOZUALMNJZBZLB-UHFFFAOYSA-N -1 1 251.232 2.928 20 0 CFADMM COc1cnc(F)cc1-c1c(F)cc([O-])cc1F ZINC001241122520 780652451 /nfs/dbraw/zinc/65/24/51/780652451.db2.gz RGGYNYUDJFTRMW-UHFFFAOYSA-N -1 1 255.195 2.880 20 0 CFADMM CON(C)C(=O)c1ccccc1-c1c(F)cc([O-])cc1F ZINC001241122921 780652484 /nfs/dbraw/zinc/65/24/84/780652484.db2.gz PGQIFVAIKXJQLZ-UHFFFAOYSA-N -1 1 293.269 2.971 20 0 CFADMM CC(C)Oc1ncc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241125455 780653602 /nfs/dbraw/zinc/65/36/02/780653602.db2.gz XUVXGZSMBRFPDN-UHFFFAOYSA-N -1 1 266.247 2.915 20 0 CFADMM O=C([O-])c1cc(-c2cccn3cncc23)ccc1F ZINC001241247662 780732540 /nfs/dbraw/zinc/73/25/40/780732540.db2.gz VSYKMYDADGOBIE-UHFFFAOYSA-N -1 1 256.236 2.839 20 0 CFADMM Cc1cc(-c2c(F)ccc([O-])c2F)nc2[nH]cnc21 ZINC001241289092 780758176 /nfs/dbraw/zinc/75/81/76/780758176.db2.gz KFMJGRRKRHLXOI-UHFFFAOYSA-N -1 1 261.231 2.917 20 0 CFADMM [O-]c1ccc(F)c(-c2cc3cncnc3cn2)c1F ZINC001241288945 780758456 /nfs/dbraw/zinc/75/84/56/780758456.db2.gz CKGWHWPDOOQAOG-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM COc1cc(OC)nc(-c2c(F)ccc([O-])c2F)c1 ZINC001241291179 780762023 /nfs/dbraw/zinc/76/20/23/780762023.db2.gz HQFJKWVHBBRKJL-UHFFFAOYSA-N -1 1 267.231 2.750 20 0 CFADMM CSc1nc(-c2c(F)ccc([O-])c2F)ncc1F ZINC001241291502 780762065 /nfs/dbraw/zinc/76/20/65/780762065.db2.gz NXVYDEFEEVONND-UHFFFAOYSA-N -1 1 272.251 2.988 20 0 CFADMM O=C([O-])CN(CCOC1CCCCC1)Cc1ccccc1 ZINC000701336934 780793170 /nfs/dbraw/zinc/79/31/70/780793170.db2.gz JKUVXXWTHHVZJW-UHFFFAOYSA-N -1 1 291.391 2.923 20 0 CFADMM O=[P@@]([O-])(O)c1ccc(-c2ccc3ncccc3c2)cc1 ZINC001241401154 780851321 /nfs/dbraw/zinc/85/13/21/780851321.db2.gz JXGGAZVWTAIFOR-UHFFFAOYSA-N -1 1 285.239 2.705 20 0 CFADMM O=[P@]([O-])(O)c1ccc(-c2ccc3ncccc3c2)cc1 ZINC001241401154 780851331 /nfs/dbraw/zinc/85/13/31/780851331.db2.gz JXGGAZVWTAIFOR-UHFFFAOYSA-N -1 1 285.239 2.705 20 0 CFADMM CC(C)(C)n1cc(Nc2[nH]c(=S)[n-]c(=O)c2N=O)cn1 ZINC001212568510 781074006 /nfs/dbraw/zinc/07/40/06/781074006.db2.gz GACQLVZBKPUFTD-UHFFFAOYSA-N -1 1 294.340 2.564 20 0 CFADMM CCCOc1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc1 ZINC001241750046 781108939 /nfs/dbraw/zinc/10/89/39/781108939.db2.gz FUEMMYUEBXRURS-UHFFFAOYSA-N -1 1 295.338 2.955 20 0 CFADMM C=Cc1ccccc1-c1nc(C)cc2c1C(=O)[N-]C2=O ZINC001242001614 781225146 /nfs/dbraw/zinc/22/51/46/781225146.db2.gz YLYTYGHRIHLUBL-UHFFFAOYSA-N -1 1 264.284 2.584 20 0 CFADMM C[C@@]1(C(F)(F)F)CCN(Cc2cccc(C(=O)[O-])n2)C1 ZINC000708922951 781285578 /nfs/dbraw/zinc/28/55/78/781285578.db2.gz BEXRUPGPCGQXOX-GFCCVEGCSA-N -1 1 288.269 2.554 20 0 CFADMM COc1cnnc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242147882 781300473 /nfs/dbraw/zinc/30/04/73/781300473.db2.gz HUVXGABREXSDQZ-UHFFFAOYSA-N -1 1 270.210 2.877 20 0 CFADMM Cn1cnc2c1ncnc2-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242148373 781300872 /nfs/dbraw/zinc/30/08/72/781300872.db2.gz VXPRVVGUASEDDR-UHFFFAOYSA-N -1 1 294.236 2.755 20 0 CFADMM COC(=O)c1ccc(-c2ccc(F)cc2[O-])c(OC)c1 ZINC001242220714 781335457 /nfs/dbraw/zinc/33/54/57/781335457.db2.gz MIIWBPMIZCVMMY-UHFFFAOYSA-N -1 1 276.263 2.994 20 0 CFADMM Cc1nc2c[nH]cc(-c3cccc(CC(=O)[O-])c3)c-2n1 ZINC001242265148 781350402 /nfs/dbraw/zinc/35/04/02/781350402.db2.gz RCALATIHDSKYLU-UHFFFAOYSA-N -1 1 267.288 2.560 20 0 CFADMM Cc1nc2c(cncc2-c2cccc(CC(=O)[O-])c2)[nH]1 ZINC001242265148 781350405 /nfs/dbraw/zinc/35/04/05/781350405.db2.gz RCALATIHDSKYLU-UHFFFAOYSA-N -1 1 267.288 2.560 20 0 CFADMM [O-]c1c(F)cccc1-c1cnc(OCC2CC2)nc1 ZINC001242352452 781425077 /nfs/dbraw/zinc/42/50/77/781425077.db2.gz IRGGXKVDLDUJCY-UHFFFAOYSA-N -1 1 260.268 2.777 20 0 CFADMM COC(=O)c1nc(C(C)C)ncc1-c1cccc(F)c1[O-] ZINC001242353432 781426574 /nfs/dbraw/zinc/42/65/74/781426574.db2.gz ZVGHUZQFGJJXDU-UHFFFAOYSA-N -1 1 290.294 2.898 20 0 CFADMM O=C1NCc2cccc(-c3cccc(Cl)c3[O-])c21 ZINC001242364518 781437635 /nfs/dbraw/zinc/43/76/35/781437635.db2.gz LTNJOALOSNKXQH-UHFFFAOYSA-N -1 1 259.692 2.956 20 0 CFADMM CCOc1ncc(-c2cccc(Cl)c2[O-])cn1 ZINC001242366302 781439604 /nfs/dbraw/zinc/43/96/04/781439604.db2.gz JKNGAFKFMGLIJS-UHFFFAOYSA-N -1 1 250.685 2.901 20 0 CFADMM O=C1NCCc2c1cccc2-c1cccc(Cl)c1[O-] ZINC001242367750 781440505 /nfs/dbraw/zinc/44/05/05/781440505.db2.gz RGEUUCRAVNISAZ-UHFFFAOYSA-N -1 1 273.719 2.999 20 0 CFADMM COc1ccc(C(=O)[O-])cc1-c1ccc(CN(C)C)cn1 ZINC001242390002 781459363 /nfs/dbraw/zinc/45/93/63/781459363.db2.gz YUVBKDIZHRPGSN-UHFFFAOYSA-N -1 1 286.331 2.517 20 0 CFADMM COc1ccc(C(=O)[O-])cc1-c1cccn2cncc12 ZINC001242391808 781460529 /nfs/dbraw/zinc/46/05/29/781460529.db2.gz DPJGONKDFPLFOG-UHFFFAOYSA-N -1 1 268.272 2.708 20 0 CFADMM c1cc2cc(-c3ccc(-c4nnn[n-]4)nc3)cnc2s1 ZINC001242682378 781695656 /nfs/dbraw/zinc/69/56/56/781695656.db2.gz YVHVNOQTVYLWDJ-UHFFFAOYSA-N -1 1 280.316 2.538 20 0 CFADMM c1cc2cc(-c3ccc(-c4nn[n-]n4)nc3)cnc2s1 ZINC001242682378 781695660 /nfs/dbraw/zinc/69/56/60/781695660.db2.gz YVHVNOQTVYLWDJ-UHFFFAOYSA-N -1 1 280.316 2.538 20 0 CFADMM CCOC(=O)c1ccnnc1-c1cccc([O-])c1Cl ZINC001242798363 781763917 /nfs/dbraw/zinc/76/39/17/781763917.db2.gz ULMNAQPXFHZVBA-UHFFFAOYSA-N -1 1 278.695 2.679 20 0 CFADMM [O-]c1cccc(-c2cncc(-n3ccnc3)n2)c1Cl ZINC001242801079 781765289 /nfs/dbraw/zinc/76/52/89/781765289.db2.gz OKUDGMZFAAXLDC-UHFFFAOYSA-N -1 1 272.695 2.688 20 0 CFADMM [O-]c1cccc(-c2cccc(N3CCOCC3)n2)c1Cl ZINC001242799978 781765369 /nfs/dbraw/zinc/76/53/69/781765369.db2.gz BCTCYSXKTQTQGX-UHFFFAOYSA-N -1 1 290.750 2.944 20 0 CFADMM COc1ncc(-c2cccc([O-])c2Cl)nc1OC ZINC001242800286 781765561 /nfs/dbraw/zinc/76/55/61/781765561.db2.gz MEEICSHLCMYSHD-UHFFFAOYSA-N -1 1 266.684 2.520 20 0 CFADMM [O-]c1cccc(-c2cncc(N3CCOCC3)c2)c1Cl ZINC001242800483 781765909 /nfs/dbraw/zinc/76/59/09/781765909.db2.gz IVZZQPMFQASTRP-UHFFFAOYSA-N -1 1 290.750 2.944 20 0 CFADMM COC(=O)[C@@H](N)c1ccc(-c2cccc([O-])c2Cl)cc1 ZINC001242802254 781766933 /nfs/dbraw/zinc/76/69/33/781766933.db2.gz CUJBDRMAPTYJRC-AWEZNQCLSA-N -1 1 291.734 2.885 20 0 CFADMM O=c1ccc(-c2cccc([O-])c2Cl)nn1CC1CC1 ZINC001242802321 781767718 /nfs/dbraw/zinc/76/77/18/781767718.db2.gz WPYGBVCZCBZRMO-UHFFFAOYSA-N -1 1 276.723 2.679 20 0 CFADMM CCS(=O)(=O)c1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242801478 781767936 /nfs/dbraw/zinc/76/79/36/781767936.db2.gz SYZSPQBYHMVMFS-UHFFFAOYSA-N -1 1 297.763 2.901 20 0 CFADMM CN(C)Cc1ccc(-c2ccccc2C(=O)[O-])nc1 ZINC001242878211 781817670 /nfs/dbraw/zinc/81/76/70/781817670.db2.gz CJQNFLTYGPMIHE-UHFFFAOYSA-N -1 1 256.305 2.508 20 0 CFADMM COc1c(O[C@@H]2CC[C@H](C)[C@@H](C)C2)nc(C)[n-]c1=O ZINC001230022899 781843353 /nfs/dbraw/zinc/84/33/53/781843353.db2.gz XJMGUFIYTMQRHG-ATZCPNFKSA-N -1 1 266.341 2.703 20 0 CFADMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000594769512 349487179 /nfs/dbraw/zinc/48/71/79/349487179.db2.gz PKGIFKPPUSMAIR-MGCOHNPYSA-N -1 1 289.347 2.822 20 0 CFADMM O=C([O-])[C@H]1CCCN(Cc2cc(Cl)ccc2F)C1 ZINC000082577058 178117235 /nfs/dbraw/zinc/11/72/35/178117235.db2.gz KQMCYBDPLSDVJL-VIFPVBQESA-N -1 1 271.719 2.776 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCS1 ZINC000082879665 178328664 /nfs/dbraw/zinc/32/86/64/178328664.db2.gz CCFBYYKRSOOKKO-JTQLQIEISA-N -1 1 257.742 2.880 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1ocnc1C1CC1 ZINC000290286733 197657806 /nfs/dbraw/zinc/65/78/06/197657806.db2.gz ZRBVAWALSHQWTJ-UHFFFAOYSA-N -1 1 279.683 2.558 20 0 CFADMM CC[C@H](NC(=O)c1cc(Cl)ccc1[O-])[C@H]1CCCO1 ZINC000126010129 187211067 /nfs/dbraw/zinc/21/10/67/187211067.db2.gz DYEJFJYRFAVZDY-WCQYABFASA-N -1 1 283.755 2.733 20 0 CFADMM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC000127878396 187338652 /nfs/dbraw/zinc/33/86/52/187338652.db2.gz VMAAZLJXFXSFMF-VXGBXAGGSA-N -1 1 262.353 2.828 20 0 CFADMM CCc1nc(CNCc2cccs2)ccc1C(=O)[O-] ZINC000426636199 529740208 /nfs/dbraw/zinc/74/02/08/529740208.db2.gz DHRWRLIFRLSIIB-UHFFFAOYSA-N -1 1 276.361 2.694 20 0 CFADMM O=C(Nc1nnc(-c2ccco2)s1)c1ccccc1[O-] ZINC000073118687 346961883 /nfs/dbraw/zinc/96/18/83/346961883.db2.gz UYEKDDPLFJBTCU-UHFFFAOYSA-N -1 1 287.300 2.756 20 0 CFADMM COc1ccc(C(=O)Nc2ccc3n[nH]cc3c2)c([O-])c1 ZINC000073572597 346980556 /nfs/dbraw/zinc/98/05/56/346980556.db2.gz AABOADWRBMWQIH-UHFFFAOYSA-N -1 1 283.287 2.529 20 0 CFADMM Cc1cc(C)n([C@H](C)C(=O)Nc2c([O-])cccc2F)n1 ZINC000089541334 539469441 /nfs/dbraw/zinc/46/94/41/539469441.db2.gz HUOQYPCUMOSMAY-SNVBAGLBSA-N -1 1 277.299 2.544 20 0 CFADMM Cc1ccccc1CNC(=O)c1c([O-])cccc1F ZINC000163616374 232258161 /nfs/dbraw/zinc/25/81/61/232258161.db2.gz LEOQBUMARHBXDO-UHFFFAOYSA-N -1 1 259.280 2.770 20 0 CFADMM CC(C)c1nc(=NCC2(C(=O)OC(C)(C)C)CCC2)o[n-]1 ZINC000596559018 349941347 /nfs/dbraw/zinc/94/13/47/349941347.db2.gz FQNPPGQPDALQKR-UHFFFAOYSA-N -1 1 295.383 2.539 20 0 CFADMM Cc1ccc(F)cc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000175472276 232313132 /nfs/dbraw/zinc/31/31/32/232313132.db2.gz XPNUYOJVIQNUMJ-UHFFFAOYSA-N -1 1 297.293 2.567 20 0 CFADMM O=C(Nc1cc[nH]n1)c1cc2ccccc2cc1[O-] ZINC000175680148 232317839 /nfs/dbraw/zinc/31/78/39/232317839.db2.gz GPMYZCFZRIDYNN-UHFFFAOYSA-N -1 1 253.261 2.521 20 0 CFADMM O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccc(O)cc1[O-] ZINC000179465796 232398146 /nfs/dbraw/zinc/39/81/46/232398146.db2.gz VUNXAXULORTNKG-UHFFFAOYSA-N -1 1 295.298 2.740 20 0 CFADMM CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000033871308 346313134 /nfs/dbraw/zinc/31/31/34/346313134.db2.gz XULHYASSMBKERN-SSDOTTSWSA-N -1 1 281.299 2.571 20 0 CFADMM CC(C)CN(CC(=O)[O-])Cc1cc(-c2ccccc2)no1 ZINC000062743068 346691475 /nfs/dbraw/zinc/69/14/75/346691475.db2.gz LSRNREXRUBFYGP-UHFFFAOYSA-N -1 1 288.347 2.884 20 0 CFADMM O=C(C=C1CCCCC1)NCc1n[n-]c(=S)n1C1CC1 ZINC000067070417 346790818 /nfs/dbraw/zinc/79/08/18/346790818.db2.gz WAJUASHNUPPBBU-UHFFFAOYSA-N -1 1 292.408 2.782 20 0 CFADMM CCCCN(C)C(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000078752909 347274045 /nfs/dbraw/zinc/27/40/45/347274045.db2.gz CDQHRUWSXVNXIZ-UHFFFAOYSA-N -1 1 273.336 2.516 20 0 CFADMM CCCCN(C)C(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000078752909 347274048 /nfs/dbraw/zinc/27/40/48/347274048.db2.gz CDQHRUWSXVNXIZ-UHFFFAOYSA-N -1 1 273.336 2.516 20 0 CFADMM Cc1cc(F)cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000079700549 347321532 /nfs/dbraw/zinc/32/15/32/347321532.db2.gz AHRYODODOBYYPR-UHFFFAOYSA-N -1 1 288.204 2.523 20 0 CFADMM Cc1noc(C)c1[N-]C(=O)c1occc1Br ZINC000081058361 347402562 /nfs/dbraw/zinc/40/25/62/347402562.db2.gz ZDSNNOMGIQAQSS-UHFFFAOYSA-N -1 1 285.097 2.899 20 0 CFADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1c(F)cccc1Cl ZINC000092924046 347651070 /nfs/dbraw/zinc/65/10/70/347651070.db2.gz VMXZYSAEOFQOJK-IUCAKERBSA-N -1 1 271.719 2.774 20 0 CFADMM CC(C)c1noc([N-][C@@H](CO)c2ccc(Cl)cc2)n1 ZINC000092960895 347655063 /nfs/dbraw/zinc/65/50/63/347655063.db2.gz ZDRKAWFDWHMPSV-NSHDSACASA-N -1 1 281.743 2.992 20 0 CFADMM Cc1cc2c[nH]nc2cc1NC(=O)c1ccccc1[O-] ZINC000094101119 347691315 /nfs/dbraw/zinc/69/13/15/347691315.db2.gz AVGJVSVBJGXRIL-UHFFFAOYSA-N -1 1 267.288 2.829 20 0 CFADMM C[C@@H](O)C1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000094157252 347693477 /nfs/dbraw/zinc/69/34/77/347693477.db2.gz COEYDMANRNJLDJ-GFCCVEGCSA-N -1 1 299.370 2.778 20 0 CFADMM Clc1ccc(Oc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000095234969 347697523 /nfs/dbraw/zinc/69/75/23/347697523.db2.gz RMYWPFYJVMKPFH-UHFFFAOYSA-N -1 1 273.683 2.707 20 0 CFADMM Clc1ccc(Oc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000095234969 347697525 /nfs/dbraw/zinc/69/75/25/347697525.db2.gz RMYWPFYJVMKPFH-UHFFFAOYSA-N -1 1 273.683 2.707 20 0 CFADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1nc(C(C)(C)C)cs1 ZINC000094969644 347697703 /nfs/dbraw/zinc/69/77/03/347697703.db2.gz OIVSEWSCQBVTJB-UWVGGRQHSA-N -1 1 282.409 2.736 20 0 CFADMM CC(C)(C)c1csc(CN2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000094969443 347697898 /nfs/dbraw/zinc/69/78/98/347697898.db2.gz NPNXJQNLBZKBFS-AWEZNQCLSA-N -1 1 282.409 2.737 20 0 CFADMM CCc1nc(SCc2ccncc2)[n-]c(=O)c1C ZINC000105961768 347730543 /nfs/dbraw/zinc/73/05/43/347730543.db2.gz JUGOXOSFYIBCGO-UHFFFAOYSA-N -1 1 261.350 2.740 20 0 CFADMM COc1ccc(Cl)c(NC(=O)c2cncc([O-])c2)c1 ZINC000111739678 347756451 /nfs/dbraw/zinc/75/64/51/347756451.db2.gz VACLCLSFKHDOEE-UHFFFAOYSA-N -1 1 278.695 2.702 20 0 CFADMM C[C@H]1CC(NC(=O)c2ccc(Cl)cc2[O-])C[C@H](C)O1 ZINC000120507962 347807251 /nfs/dbraw/zinc/80/72/51/347807251.db2.gz DXZLOJPWMKLRJJ-IUCAKERBSA-N -1 1 283.755 2.731 20 0 CFADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCCC[C@H]1C ZINC000125779102 347829669 /nfs/dbraw/zinc/82/96/69/347829669.db2.gz LQGYRLSVVCWIJM-NEPJUHHUSA-N -1 1 262.353 2.828 20 0 CFADMM O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1cncc([O-])c1 ZINC000131685511 347880182 /nfs/dbraw/zinc/88/01/82/347880182.db2.gz XLIUNTOESKPIOI-PBHICJAKSA-N -1 1 296.370 2.928 20 0 CFADMM COC(=O)c1cc(C(C)C)ccc1[N-]S(=O)(=O)C1CC1 ZINC000171340025 348075499 /nfs/dbraw/zinc/07/54/99/348075499.db2.gz NSRCRTHHAWPSJB-UHFFFAOYSA-N -1 1 297.376 2.501 20 0 CFADMM C[C@]12COC[C@@H]1C[N@H+](Cc1cccc([O-])c1Cl)C2 ZINC000668598317 539610572 /nfs/dbraw/zinc/61/05/72/539610572.db2.gz YHNVLDPEZHFIFR-FZMZJTMJSA-N -1 1 267.756 2.514 20 0 CFADMM C[C@@]12COC[C@H]1C[N@H+](Cc1cccc([O-])c1Cl)C2 ZINC000668598316 539610965 /nfs/dbraw/zinc/61/09/65/539610965.db2.gz YHNVLDPEZHFIFR-BXUZGUMPSA-N -1 1 267.756 2.514 20 0 CFADMM CN(C(=O)c1cncc([O-])c1)C(C)(C)c1ccccc1 ZINC000671893902 539622458 /nfs/dbraw/zinc/62/24/58/539622458.db2.gz YHOQVNCBUXZDPK-UHFFFAOYSA-N -1 1 270.332 2.795 20 0 CFADMM O=S(=O)([N-]C1CCCC1)c1c(Cl)ccnc1Cl ZINC000270985394 190893689 /nfs/dbraw/zinc/89/36/89/190893689.db2.gz SIJLZLLLRRIECZ-UHFFFAOYSA-N -1 1 295.191 2.609 20 0 CFADMM O=c1cc(C2CC2)nc(SCc2ccncc2F)[n-]1 ZINC000413008345 233001090 /nfs/dbraw/zinc/00/10/90/233001090.db2.gz WXYUKVUOVJPMGN-UHFFFAOYSA-N -1 1 277.324 2.886 20 0 CFADMM O=C(N[C@H](C1CC1)C1CCC1)c1cc(F)ccc1[O-] ZINC000325204092 348440397 /nfs/dbraw/zinc/44/03/97/348440397.db2.gz KEJBSVJCDLRSPN-AWEZNQCLSA-N -1 1 263.312 2.840 20 0 CFADMM COCC1(CC(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000401399987 348577944 /nfs/dbraw/zinc/57/79/44/348577944.db2.gz VQBVUQZSRXNYMR-UHFFFAOYSA-N -1 1 269.728 2.801 20 0 CFADMM C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1nc2ccccc2s1 ZINC000397085708 348560412 /nfs/dbraw/zinc/56/04/12/348560412.db2.gz IUWXRBYETYVDPZ-MNOVXSKESA-N -1 1 290.388 2.981 20 0 CFADMM COC[C@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000092228435 539674628 /nfs/dbraw/zinc/67/46/28/539674628.db2.gz MNRASYBCQLVSLT-CQSZACIVSA-N -1 1 285.343 2.796 20 0 CFADMM COc1cc(-c2nc3cccc(F)c3c(=O)[n-]2)ccc1O ZINC000591727013 349040551 /nfs/dbraw/zinc/04/05/51/349040551.db2.gz TZPCTYYRALTUGA-UHFFFAOYSA-N -1 1 286.262 2.856 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCCC[C@@H]1C(F)F ZINC000669739468 539736884 /nfs/dbraw/zinc/73/68/84/539736884.db2.gz GOKHPWVVWGYKHC-SNVBAGLBSA-N -1 1 273.254 2.791 20 0 CFADMM CSCC1(CCNC(=O)c2c([O-])cccc2F)CC1 ZINC000597988951 350174731 /nfs/dbraw/zinc/17/47/31/350174731.db2.gz ZGPRLMJHQATUBD-UHFFFAOYSA-N -1 1 283.368 2.794 20 0 CFADMM CCSC1(CNC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000598329001 350236183 /nfs/dbraw/zinc/23/61/83/350236183.db2.gz PYGUXSBBCOXGJA-UHFFFAOYSA-N -1 1 287.331 2.686 20 0 CFADMM CCCN(CC(C)(C)O)C(=O)c1ccc(Cl)cc1[O-] ZINC000271338313 191082705 /nfs/dbraw/zinc/08/27/05/191082705.db2.gz FSZLOXUPPRGRLG-UHFFFAOYSA-N -1 1 285.771 2.669 20 0 CFADMM O=C(c1cncc([O-])c1)N(C1CC1)C1CCCCC1 ZINC000670776264 539789284 /nfs/dbraw/zinc/78/92/84/539789284.db2.gz OZFRVQNYCYIEEA-UHFFFAOYSA-N -1 1 260.337 2.725 20 0 CFADMM CN(C[C@@H]1CCCOC1)C(=O)c1ccc(Cl)cc1[O-] ZINC000107065999 186158513 /nfs/dbraw/zinc/15/85/13/186158513.db2.gz QSQRXMWNGMSLCJ-JTQLQIEISA-N -1 1 283.755 2.544 20 0 CFADMM CCCCc1nc(CN(C)C[C@@H](C)C(=O)[O-])cs1 ZINC000565101265 290267657 /nfs/dbraw/zinc/26/76/57/290267657.db2.gz DAXIIOZKSCGQMH-SNVBAGLBSA-N -1 1 270.398 2.638 20 0 CFADMM Cc1ccc2nc(NC(=O)c3cncc([O-])c3)sc2c1 ZINC000109040536 186240825 /nfs/dbraw/zinc/24/08/25/186240825.db2.gz HQJYRJCPSLBYIA-UHFFFAOYSA-N -1 1 285.328 2.958 20 0 CFADMM O=C(c1cncc([O-])c1)N(Cc1cccc(F)c1)C1CC1 ZINC000109042395 186241016 /nfs/dbraw/zinc/24/10/16/186241016.db2.gz MIRQZKIFRNNHRP-UHFFFAOYSA-N -1 1 286.306 2.731 20 0 CFADMM CC[C@H](NC(=O)c1cncc([O-])c1)c1ccc(OC)cc1 ZINC000109042668 186241234 /nfs/dbraw/zinc/24/12/34/186241234.db2.gz LASWAMADPVOLFU-HNNXBMFYSA-N -1 1 286.331 2.677 20 0 CFADMM O=C(Nc1ccccc1N1CCCC1)c1cncc([O-])c1 ZINC000109042691 186241646 /nfs/dbraw/zinc/24/16/46/186241646.db2.gz DGZMHDMSEMYZOH-UHFFFAOYSA-N -1 1 283.331 2.640 20 0 CFADMM C[C@@H](CCc1ccccc1)NC(=O)c1cncc([O-])c1 ZINC000109041126 186241790 /nfs/dbraw/zinc/24/17/90/186241790.db2.gz UCQQRQDCEKLQRR-LBPRGKRZSA-N -1 1 270.332 2.538 20 0 CFADMM CCOc1cc(-c2noc(C)n2)cc(Br)c1[O-] ZINC000109507836 186258236 /nfs/dbraw/zinc/25/82/36/186258236.db2.gz XAMFFQVTCAUBAG-UHFFFAOYSA-N -1 1 299.124 2.912 20 0 CFADMM CSc1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000109420576 186251820 /nfs/dbraw/zinc/25/18/20/186251820.db2.gz PTHYRNJYGHWBPS-UHFFFAOYSA-N -1 1 280.374 2.604 20 0 CFADMM O=C(Nc1ccncc1[O-])c1ccc(F)cc1Cl ZINC000109890283 186277603 /nfs/dbraw/zinc/27/76/03/186277603.db2.gz LHWCBXWQBBLCCH-UHFFFAOYSA-N -1 1 266.659 2.832 20 0 CFADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccncc1[O-] ZINC000109889250 186277682 /nfs/dbraw/zinc/27/76/82/186277682.db2.gz LXFWZZAYFNTWQL-SECBINFHSA-N -1 1 292.722 2.847 20 0 CFADMM O=C(COc1ccc2ccccc2c1)Nc1ccncc1[O-] ZINC000109891027 186279240 /nfs/dbraw/zinc/27/92/40/186279240.db2.gz WLXKCQBWRSGKHZ-UHFFFAOYSA-N -1 1 294.310 2.958 20 0 CFADMM CC1(C)CN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000309703212 539805248 /nfs/dbraw/zinc/80/52/48/539805248.db2.gz GXNORNBAPARUHV-UHFFFAOYSA-N -1 1 284.153 2.637 20 0 CFADMM CCCc1c(C)[n-]n(-c2cccc(C(=O)OC)c2F)c1=O ZINC000601949551 350816212 /nfs/dbraw/zinc/81/62/12/350816212.db2.gz MQXTUMLJSSQQLN-SNVBAGLBSA-N -1 1 292.310 2.751 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@H]1C1CCCC1 ZINC000111739828 186452491 /nfs/dbraw/zinc/45/24/91/186452491.db2.gz PIIQGQGPPHZBEZ-AWEZNQCLSA-N -1 1 260.337 2.582 20 0 CFADMM CCSCCCNC(=O)N=c1[n-]sc2ccccc21 ZINC000603050264 351094788 /nfs/dbraw/zinc/09/47/88/351094788.db2.gz ICVBVASRTOTMOW-UHFFFAOYSA-N -1 1 295.433 2.983 20 0 CFADMM CCN(CCSC)C(=O)N=c1[n-]sc2ccccc21 ZINC000603052308 351095608 /nfs/dbraw/zinc/09/56/08/351095608.db2.gz RIWIBCQBBJZHGS-UHFFFAOYSA-N -1 1 295.433 2.935 20 0 CFADMM COc1ccc(C(=O)Nc2c([O-])cccc2F)cc1OC ZINC000605434678 351245753 /nfs/dbraw/zinc/24/57/53/351245753.db2.gz BDKGTEFVLXFYNP-UHFFFAOYSA-N -1 1 291.278 2.801 20 0 CFADMM COc1cccc(CC(=O)Nc2c([O-])cccc2F)c1 ZINC000605439436 351246773 /nfs/dbraw/zinc/24/67/73/351246773.db2.gz WRHGDJNPPBKDKD-UHFFFAOYSA-N -1 1 275.279 2.721 20 0 CFADMM CC(C)c1nc(=NCCc2ccc3ccccc3n2)o[n-]1 ZINC000605691823 351257156 /nfs/dbraw/zinc/25/71/56/351257156.db2.gz SJEDMNSBMDGDAJ-UHFFFAOYSA-N -1 1 282.347 2.818 20 0 CFADMM O=C(CSc1ccncc1)Nc1c([O-])cccc1F ZINC000608365984 351425440 /nfs/dbraw/zinc/42/54/40/351425440.db2.gz XNSPDAJLTKAFLH-UHFFFAOYSA-N -1 1 278.308 2.657 20 0 CFADMM O=C(CC[C@@H]1CCCCO1)Nc1c([O-])cccc1F ZINC000608366297 351425961 /nfs/dbraw/zinc/42/59/61/351425961.db2.gz IJRNPXLZSMDRED-JTQLQIEISA-N -1 1 267.300 2.819 20 0 CFADMM O=C(Nc1c([O-])cccc1F)C(=O)c1ccc2c(c1)CCC2 ZINC000608366758 351426134 /nfs/dbraw/zinc/42/61/34/351426134.db2.gz XWSBLCHCHFOICE-UHFFFAOYSA-N -1 1 299.301 2.841 20 0 CFADMM O=C(Nc1c([O-])cccc1F)C1CCSCC1 ZINC000608365178 351426288 /nfs/dbraw/zinc/42/62/88/351426288.db2.gz AMKBVSHEHBFGEW-UHFFFAOYSA-N -1 1 255.314 2.613 20 0 CFADMM CC[C@@H]1c2ccccc2CCN1C(=O)c1cncc([O-])c1 ZINC000133840975 539818533 /nfs/dbraw/zinc/81/85/33/539818533.db2.gz UVFANTXGRQVHEB-MRXNPFEDSA-N -1 1 282.343 2.937 20 0 CFADMM O=C(CSCC(F)(F)F)Nc1c([O-])cccc1F ZINC000611190892 351650665 /nfs/dbraw/zinc/65/06/65/351650665.db2.gz KKVMHQUNYMKSLB-UHFFFAOYSA-N -1 1 283.246 2.765 20 0 CFADMM CC(C)c1nc(=NCCCCC(=O)OC(C)(C)C)o[n-]1 ZINC000611338567 351670079 /nfs/dbraw/zinc/67/00/79/351670079.db2.gz MCPHCDOFCLBBRI-UHFFFAOYSA-N -1 1 283.372 2.539 20 0 CFADMM C[C@@H]1CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000611648572 351719539 /nfs/dbraw/zinc/71/95/39/351719539.db2.gz DFFZXAXSCFWFEF-SNVBAGLBSA-N -1 1 256.305 2.565 20 0 CFADMM CCN(CC)C(=O)CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000122280776 187024214 /nfs/dbraw/zinc/02/42/14/187024214.db2.gz OGBXMXIHRFYSCZ-UHFFFAOYSA-N -1 1 298.770 2.633 20 0 CFADMM CC1(C)OC[C@@H]2C[C@@]21C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000612760167 351859589 /nfs/dbraw/zinc/85/95/89/351859589.db2.gz SYOVDOIUZMSANC-RTHLEPHNSA-N -1 1 281.739 2.799 20 0 CFADMM CO[C@H]1CC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000612759507 351859760 /nfs/dbraw/zinc/85/97/60/351859760.db2.gz KTOTZGWEPBOPST-SCZZXKLOSA-N -1 1 269.728 2.799 20 0 CFADMM Cc1ccc([C@H](C)N(C)C(=O)c2ncccc2[O-])cc1 ZINC000122799538 187051843 /nfs/dbraw/zinc/05/18/43/187051843.db2.gz HIAJVFMBOCTQEE-LBPRGKRZSA-N -1 1 270.332 2.929 20 0 CFADMM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ncccc1[O-] ZINC000122804374 187052604 /nfs/dbraw/zinc/05/26/04/187052604.db2.gz ZCOHJNBCYNWMRM-VIFPVBQESA-N -1 1 292.285 2.899 20 0 CFADMM C[C@H](CC(=O)Nc1c([O-])cccc1F)[C@@H]1CCCO1 ZINC000613029642 351891806 /nfs/dbraw/zinc/89/18/06/351891806.db2.gz SUXJZAVSCXLZFL-SKDRFNHKSA-N -1 1 267.300 2.675 20 0 CFADMM CO[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)C1CCCC1 ZINC000616101349 352284290 /nfs/dbraw/zinc/28/42/90/352284290.db2.gz OWKZEQFVEHZDHZ-CYBMUJFWSA-N -1 1 285.290 2.814 20 0 CFADMM CC1(C)CC[C@@H]1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000616332795 352329225 /nfs/dbraw/zinc/32/92/25/352329225.db2.gz HZHVUMLLDLKRFR-SECBINFHSA-N -1 1 275.377 2.935 20 0 CFADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@H](F)C1 ZINC000616625697 352389198 /nfs/dbraw/zinc/38/91/98/352389198.db2.gz PNDCOVUTWHQEJD-NSHDSACASA-N -1 1 274.295 2.515 20 0 CFADMM O=C(c1ncc2ccccc2c1[O-])N1C[C@@H]2CCCC[C@@H]21 ZINC000616722197 352421260 /nfs/dbraw/zinc/42/12/60/352421260.db2.gz ZSVZEHNYFUQFNY-JSGCOSHPSA-N -1 1 282.343 2.955 20 0 CFADMM C[C@]1(C2CC2)CN(C(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000617402282 352558734 /nfs/dbraw/zinc/55/87/34/352558734.db2.gz FPOOZMQVKPCXFK-OAHLLOKOSA-N -1 1 295.766 2.687 20 0 CFADMM CCC(O)(CC)C(C)(C)CNC(=O)c1ccc([O-])c(F)c1 ZINC000617509589 352573732 /nfs/dbraw/zinc/57/37/32/352573732.db2.gz PWWWNKILYYKLNR-UHFFFAOYSA-N -1 1 297.370 2.838 20 0 CFADMM CCOC(=O)c1nc(NC(=O)c2cc3ccccc3o2)c[n-]1 ZINC000617871575 352664335 /nfs/dbraw/zinc/66/43/35/352664335.db2.gz CPLCXHBDDIMFKT-UHFFFAOYSA-N -1 1 299.286 2.585 20 0 CFADMM C[C@@H](C(=O)[N-]OC1CCCC1)c1cccc(F)c1 ZINC000271624942 191246142 /nfs/dbraw/zinc/24/61/42/191246142.db2.gz AOSNVTFZNPLAEK-SNVBAGLBSA-N -1 1 251.301 2.920 20 0 CFADMM CC(C)(F)CCNC(=O)c1cc(Cl)ccc1[O-] ZINC000618404433 352766899 /nfs/dbraw/zinc/76/68/99/352766899.db2.gz HKXDSFGNAPVCMJ-UHFFFAOYSA-N -1 1 259.708 2.914 20 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282.409 2.960 20 0 CFADMM CC(C)c1ccc(C(=O)N(C)c2cnccn2)c([O-])c1 ZINC000629290736 354781973 /nfs/dbraw/zinc/78/19/73/354781973.db2.gz HBPBZHYUTYRGKY-UHFFFAOYSA-N -1 1 271.320 2.582 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H](CO)CC1 ZINC000294686232 540036552 /nfs/dbraw/zinc/03/65/52/540036552.db2.gz WIQOGKCVQYHEES-CYBMUJFWSA-N -1 1 299.370 2.780 20 0 CFADMM CCC1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC000629375438 354793913 /nfs/dbraw/zinc/79/39/13/354793913.db2.gz FLNHUPRRLHXGEP-UHFFFAOYSA-N -1 1 271.320 2.707 20 0 CFADMM C[C@@H]1CN(c2ccnc3cc(F)ccc32)CC[C@H]1C(=O)[O-] ZINC000629769631 354926955 /nfs/dbraw/zinc/92/69/55/354926955.db2.gz ZXRHULKDDODLEY-ZYHUDNBSSA-N -1 1 288.322 2.921 20 0 CFADMM O=C(NC[C@@H]1CCCC12CC2)c1ccc([O-])c(F)c1 ZINC000629829213 354935868 /nfs/dbraw/zinc/93/58/68/354935868.db2.gz DDSGGCUNXJKEJC-NSHDSACASA-N -1 1 263.312 2.841 20 0 CFADMM CSc1nsc([N-]C(=O)c2conc2C(C)C)n1 ZINC000629946053 354957851 /nfs/dbraw/zinc/95/78/51/354957851.db2.gz 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541733862 /nfs/dbraw/zinc/73/38/62/541733862.db2.gz BCTCISXHHWKGAJ-UHFFFAOYSA-N -1 1 277.270 2.883 20 0 CFADMM CCC1(NC(=O)C(=O)c2ccc([O-])cc2)CCCCC1 ZINC000456227914 244108734 /nfs/dbraw/zinc/10/87/34/244108734.db2.gz ITZPWSFGWVYALV-UHFFFAOYSA-N -1 1 275.348 2.804 20 0 CFADMM Cc1nc(SCc2nccs2)[n-]c(=O)c1C ZINC000330710042 203141224 /nfs/dbraw/zinc/14/12/24/203141224.db2.gz OQFCOOQSZWENFF-UHFFFAOYSA-N -1 1 253.352 2.548 20 0 CFADMM CC(C)(C)C[C@@H](O)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000456792039 244290083 /nfs/dbraw/zinc/29/00/83/244290083.db2.gz ZMHNCJHJAPXMNQ-QMMMGPOBSA-N -1 1 287.306 2.796 20 0 CFADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)[C@@H]1CCC[C@@H](C)C1 ZINC000456996026 244350456 /nfs/dbraw/zinc/35/04/56/244350456.db2.gz ZKZFQGMMFMZZDJ-MBNYWOFBSA-N -1 1 289.375 2.906 20 0 CFADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2ccccc2)sc1C ZINC000331234372 203645012 /nfs/dbraw/zinc/64/50/12/203645012.db2.gz JNOKBPPTRDZRAC-JTQLQIEISA-N -1 1 296.417 2.799 20 0 CFADMM CC(C)Oc1cccc(C(=O)Nc2c([O-])cccc2F)n1 ZINC000677293852 541842780 /nfs/dbraw/zinc/84/27/80/541842780.db2.gz YLQLNJVRERSWKI-UHFFFAOYSA-N -1 1 290.294 2.966 20 0 CFADMM Cc1cnc(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)c([O-])c1 ZINC000332003287 204378608 /nfs/dbraw/zinc/37/86/08/204378608.db2.gz RKYIDMVLSYTSOK-DOMZBBRYSA-N -1 1 276.380 2.848 20 0 CFADMM Cn1c(Cc2ccc(Cl)cc2)n[n-]c1=NC(C)(C)C ZINC000463101315 245396340 /nfs/dbraw/zinc/39/63/40/245396340.db2.gz FNVBCGFKZSXYJA-UHFFFAOYSA-N -1 1 278.787 2.692 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1ccn(-c2ccccc2)n1 ZINC000340331967 284308604 /nfs/dbraw/zinc/30/86/04/284308604.db2.gz VJUHKWMGFSHEHY-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000016100064 372099334 /nfs/dbraw/zinc/09/93/34/372099334.db2.gz FVDCQSRNJJUHEX-UHFFFAOYSA-N -1 1 289.356 2.998 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC2(CCC2)CC1 ZINC000308729405 296181196 /nfs/dbraw/zinc/18/11/96/296181196.db2.gz PVMISDOMTADIJC-UHFFFAOYSA-N -1 1 263.312 2.938 20 0 CFADMM COc1ccc(C(=O)Nc2nc(C3CC3)cs2)c([O-])c1 ZINC000025558483 372302821 /nfs/dbraw/zinc/30/28/21/372302821.db2.gz UOAFACCHXRGYLS-UHFFFAOYSA-N -1 1 290.344 2.987 20 0 CFADMM CC(C)(C)O[C@H]1C[C@@H](N=c2nc(C(F)(F)F)[n-]s2)C1 ZINC000645367630 383682649 /nfs/dbraw/zinc/68/26/49/383682649.db2.gz GSDBHESDRNOPKK-KNVOCYPGSA-N -1 1 295.330 2.737 20 0 CFADMM O=C(Nc1ccc2c(c1)CCC(=O)N2)c1ccccc1[O-] ZINC000029966194 372389532 /nfs/dbraw/zinc/38/95/32/372389532.db2.gz GFFLPJLQNCMQRW-UHFFFAOYSA-N -1 1 282.299 2.529 20 0 CFADMM Cc1nocc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000571298577 383682861 /nfs/dbraw/zinc/68/28/61/383682861.db2.gz FUMQXBWSIQYRHF-UHFFFAOYSA-N -1 1 263.322 2.648 20 0 CFADMM Cc1cc(CN(C)C(=O)c2cc(Cl)ccc2[O-])no1 ZINC000031658582 372414273 /nfs/dbraw/zinc/41/42/73/372414273.db2.gz DOIONKXXWOPZAW-UHFFFAOYSA-N -1 1 280.711 2.614 20 0 CFADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1cccnc1 ZINC000035124667 372543424 /nfs/dbraw/zinc/54/34/24/372543424.db2.gz CSKUXHOVZMBIKF-VIFPVBQESA-N -1 1 276.723 2.932 20 0 CFADMM CC(C)CN(CC(C)C)C(=O)c1ncccc1[O-] ZINC000042034550 372869831 /nfs/dbraw/zinc/86/98/31/372869831.db2.gz FHXSEUJRGDOGFI-UHFFFAOYSA-N -1 1 250.342 2.541 20 0 CFADMM CCCc1nc(CN2CCC[C@@H]2CC(=O)[O-])cs1 ZINC000042162965 372878390 /nfs/dbraw/zinc/87/83/90/372878390.db2.gz MKFUCJSGPDQIGT-LLVKDONJSA-N -1 1 268.382 2.535 20 0 CFADMM O=C(NCc1ccoc1)c1cc(Cl)ccc1[O-] ZINC000045835794 373035129 /nfs/dbraw/zinc/03/51/29/373035129.db2.gz MQROTUXSXRVSJT-UHFFFAOYSA-N -1 1 251.669 2.569 20 0 CFADMM O=C(N[C@H]1CC[C@H](CO)CC1)c1ccc2ccccc2c1[O-] ZINC000245608307 189919363 /nfs/dbraw/zinc/91/93/63/189919363.db2.gz KSKJECBQGFVPKP-MQMHXKEQSA-N -1 1 299.370 2.826 20 0 CFADMM Cc1ccccc1CN(C)Cc1cc(C(=O)[O-])co1 ZINC000051330521 373392548 /nfs/dbraw/zinc/39/25/48/373392548.db2.gz LCEZUURYUVTUEE-UHFFFAOYSA-N -1 1 259.305 2.918 20 0 CFADMM CCCN(C)C(=O)c1cc(Br)ccc1[O-] ZINC000063602397 373811633 /nfs/dbraw/zinc/81/16/33/373811633.db2.gz QHYLIWVWGAKVJU-UHFFFAOYSA-N -1 1 272.142 2.637 20 0 CFADMM O=C(N[C@H](CO)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000062999166 373778730 /nfs/dbraw/zinc/77/87/30/373778730.db2.gz LZTNUGSENBZZLG-CYBMUJFWSA-N -1 1 291.734 2.509 20 0 CFADMM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000071209697 374214877 /nfs/dbraw/zinc/21/48/77/374214877.db2.gz ZECUPNBJOAVVQV-KCJUWKMLSA-N -1 1 253.729 2.964 20 0 CFADMM C[C@H](CC1CCCC1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000072567653 374266835 /nfs/dbraw/zinc/26/68/35/374266835.db2.gz XGRFLNMDTUCVIZ-SSDOTTSWSA-N -1 1 290.289 2.978 20 0 CFADMM O=C(N[C@@H]1CCSC1)c1cc2ccccc2cc1[O-] ZINC000075179832 374466761 /nfs/dbraw/zinc/46/67/61/374466761.db2.gz RYFJVZBODVNPGV-GFCCVEGCSA-N -1 1 273.357 2.781 20 0 CFADMM O=C(/C=C\c1cncc(O)c1)Nc1ccc([O-])c(Cl)c1 ZINC000492405898 246282252 /nfs/dbraw/zinc/28/22/52/246282252.db2.gz LHNQZBWSUIEOJI-RJRFIUFISA-N -1 1 290.706 2.798 20 0 CFADMM Cc1ccc(/C=C/C(=O)Nc2ccc(F)cc2[O-])nc1 ZINC000492535428 246321001 /nfs/dbraw/zinc/32/10/01/246321001.db2.gz LWBVZUMPVXGYQE-FNORWQNLSA-N -1 1 272.279 2.887 20 0 CFADMM O=C(C=Cc1ccc[nH]1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000492801059 246390171 /nfs/dbraw/zinc/39/01/71/246390171.db2.gz BDXOCDPUKANMIJ-BQYQJAHWSA-N -1 1 294.314 2.762 20 0 CFADMM Cc1cnc([C@H](C)NC(=O)c2cc(F)ccc2[O-])s1 ZINC000080036120 374637018 /nfs/dbraw/zinc/63/70/18/374637018.db2.gz OOLWBBNBVWQYDR-QMMMGPOBSA-N -1 1 280.324 2.787 20 0 CFADMM Cc1cnc([C@@H](C)NC(=O)c2cc(F)ccc2[O-])s1 ZINC000080036118 374637128 /nfs/dbraw/zinc/63/71/28/374637128.db2.gz OOLWBBNBVWQYDR-MRVPVSSYSA-N -1 1 280.324 2.787 20 0 CFADMM CC/C=C\C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000451777422 383705031 /nfs/dbraw/zinc/70/50/31/383705031.db2.gz RENWIMFXEGBELV-ARJAWSKDSA-N -1 1 277.748 2.724 20 0 CFADMM C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])C[C@@H]1C ZINC000091438993 375051692 /nfs/dbraw/zinc/05/16/92/375051692.db2.gz PIZOPKVRIZUSEQ-IUCAKERBSA-N -1 1 298.180 2.883 20 0 CFADMM O=C(N[C@@H]1CCCC[C@@H]1CO)c1cc2ccccc2cc1[O-] ZINC000092757244 375150134 /nfs/dbraw/zinc/15/01/34/375150134.db2.gz XRULNECXQDPNNE-GDBMZVCRSA-N -1 1 299.370 2.826 20 0 CFADMM O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc2ccccc2c1[O-] ZINC000092757297 375150461 /nfs/dbraw/zinc/15/04/61/375150461.db2.gz IFBKCZLZSDXCLH-CJNGLKHVSA-N -1 1 299.370 2.826 20 0 CFADMM O=C(N[C@H]1CCCC[C@@H]1CO)c1cc2ccccc2cc1[O-] ZINC000092757245 375150789 /nfs/dbraw/zinc/15/07/89/375150789.db2.gz XRULNECXQDPNNE-ZBFHGGJFSA-N -1 1 299.370 2.826 20 0 CFADMM CCC1(O)CCC(NC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000678578209 542043827 /nfs/dbraw/zinc/04/38/27/542043827.db2.gz YYEQRTIQTPQKJH-UHFFFAOYSA-N -1 1 297.782 2.859 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1n[nH]c2c1CCC2 ZINC000111668744 375863934 /nfs/dbraw/zinc/86/39/34/375863934.db2.gz PEKSMQYFGYAPPB-UHFFFAOYSA-N -1 1 277.711 2.510 20 0 CFADMM CC[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H](C)O1 ZINC000111644245 375860614 /nfs/dbraw/zinc/86/06/14/375860614.db2.gz PZKUWPOKNRQTSL-ONGXEEELSA-N -1 1 283.755 2.685 20 0 CFADMM CCc1nc2cc(NC(=O)c3cncc([O-])c3)ccc2o1 ZINC000111775433 375869397 /nfs/dbraw/zinc/86/93/97/375869397.db2.gz DSGLGAIGKCIRCV-UHFFFAOYSA-N -1 1 283.287 2.743 20 0 CFADMM O=C(Nc1cccc2ncccc21)c1cncc([O-])c1 ZINC000111771227 375869601 /nfs/dbraw/zinc/86/96/01/375869601.db2.gz KXIBAYOMWAHBOV-UHFFFAOYSA-N -1 1 265.272 2.588 20 0 CFADMM O=C(Nc1ccncc1[O-])c1ccc(F)c(Cl)c1 ZINC000125126014 377119762 /nfs/dbraw/zinc/11/97/62/377119762.db2.gz PPXHGIVRWBWMJE-UHFFFAOYSA-N -1 1 266.659 2.832 20 0 CFADMM C[C@H]1CCC[C@H](C)[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000125140118 377122207 /nfs/dbraw/zinc/12/22/07/377122207.db2.gz OBQQANBHJVKWPY-QWRGUYRKSA-N -1 1 291.420 2.995 20 0 CFADMM CCC[C@@H](C)CC(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000126595047 377237356 /nfs/dbraw/zinc/23/73/56/377237356.db2.gz GQRJAIGKOURSIE-SNVBAGLBSA-N -1 1 273.340 2.632 20 0 CFADMM CCc1nnc([N-]C(=O)c2noc3c2CCCCC3)s1 ZINC000129409204 377422914 /nfs/dbraw/zinc/42/29/14/377422914.db2.gz XEBPZWZQGXUDEC-UHFFFAOYSA-N -1 1 292.364 2.610 20 0 CFADMM CCCCOCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129552911 377445599 /nfs/dbraw/zinc/44/55/99/377445599.db2.gz VLSSGFZLAVSWDH-UHFFFAOYSA-N -1 1 257.717 2.801 20 0 CFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC=CCC1 ZINC000679326637 542168332 /nfs/dbraw/zinc/16/83/32/542168332.db2.gz NUGYUDUBBUUAKV-UHFFFAOYSA-N -1 1 271.238 2.813 20 0 CFADMM Cc1nnc(C[N-]c2nc(-c3ccccc3)no2)s1 ZINC000679476662 542195607 /nfs/dbraw/zinc/19/56/07/542195607.db2.gz WTPIFWGAOCLYLK-UHFFFAOYSA-N -1 1 273.321 2.509 20 0 CFADMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000131991474 377787695 /nfs/dbraw/zinc/78/76/95/377787695.db2.gz XCXDBVDNYAXDKF-YUMQZZPRSA-N -1 1 293.310 2.571 20 0 CFADMM CCC1(C[N-]S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000132995376 377893744 /nfs/dbraw/zinc/89/37/44/377893744.db2.gz UEDJONIWLJPSKV-UHFFFAOYSA-N -1 1 291.775 2.948 20 0 CFADMM Cc1cccc(NC(=O)c2cnc3c(cnn3C)c2O)c1C ZINC000132526584 377849721 /nfs/dbraw/zinc/84/97/21/377849721.db2.gz AYIMXGKAVFCXKP-UHFFFAOYSA-N -1 1 296.330 2.543 20 0 CFADMM Cc1cccc(NC(=O)c2cnc3n(C)[nH]cc-3c2=O)c1C ZINC000132526584 377849731 /nfs/dbraw/zinc/84/97/31/377849731.db2.gz AYIMXGKAVFCXKP-UHFFFAOYSA-N -1 1 296.330 2.543 20 0 CFADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000134989112 378072030 /nfs/dbraw/zinc/07/20/30/378072030.db2.gz ZBRPGRBUOUMSLE-DTWKUNHWSA-N -1 1 253.729 2.916 20 0 CFADMM CC(C)([N-]S(=O)(=O)c1cc(F)ccc1F)C1CCC1 ZINC000451861288 383727299 /nfs/dbraw/zinc/72/72/99/383727299.db2.gz FKXBRRGJMTXPNJ-UHFFFAOYSA-N -1 1 289.347 2.822 20 0 CFADMM C[C@H]1C[C@H](C)CN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000149005601 378262678 /nfs/dbraw/zinc/26/26/78/378262678.db2.gz WSUFVUHEBVZBBE-UWVGGRQHSA-N -1 1 251.301 2.649 20 0 CFADMM CCc1nc(S(=O)(=O)[C@H](C)c2cccc(Cl)c2)n[n-]1 ZINC000152001102 378383542 /nfs/dbraw/zinc/38/35/42/378383542.db2.gz HOIWNDJIOYXDNG-MRVPVSSYSA-N -1 1 299.783 2.555 20 0 CFADMM C[C@H]1C[C@H]1c1cc(NC(=O)c2ccc([O-])cc2F)n[nH]1 ZINC000162825973 542238306 /nfs/dbraw/zinc/23/83/06/542238306.db2.gz LHINTVUXCAXTEB-OIBJUYFYSA-N -1 1 275.283 2.630 20 0 CFADMM O=C(N[C@@H](CCO)C1CCCCC1)c1ccc([O-])cc1F ZINC000154989181 378606863 /nfs/dbraw/zinc/60/68/63/378606863.db2.gz ILMJDGRSSWSRRD-HNNXBMFYSA-N -1 1 295.354 2.592 20 0 CFADMM Cc1nc(S[C@@H](C)c2nc(C3CC3)no2)[n-]c(=O)c1C ZINC000331504786 378697412 /nfs/dbraw/zinc/69/74/12/378697412.db2.gz MCLPEARKWGDNBF-QMMMGPOBSA-N -1 1 292.364 2.913 20 0 CFADMM CS[C@H](C)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000159530619 378715859 /nfs/dbraw/zinc/71/58/59/378715859.db2.gz QJOBPXCIHCXYAM-SSDOTTSWSA-N -1 1 259.758 2.527 20 0 CFADMM COc1cc([N-]S(=O)(=O)c2ccccc2)ccc1F ZINC000160558975 378781936 /nfs/dbraw/zinc/78/19/36/378781936.db2.gz BJZJMVFMGKYEHM-UHFFFAOYSA-N -1 1 281.308 2.635 20 0 CFADMM O=C(NC[C@@H]1CCOC2(CCC2)C1)c1c([O-])cccc1F ZINC000333043693 378814159 /nfs/dbraw/zinc/81/41/59/378814159.db2.gz FLIKRPGGPJLYGT-LLVKDONJSA-N -1 1 293.338 2.610 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](O)CC12CCC2 ZINC000333673995 378845172 /nfs/dbraw/zinc/84/51/72/378845172.db2.gz DAYCPFWFYXTDDX-NSHDSACASA-N -1 1 295.766 2.565 20 0 CFADMM CC(C)CO[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000161646473 378862187 /nfs/dbraw/zinc/86/21/87/378862187.db2.gz MMJNTEAAUZYSNL-LBPRGKRZSA-N -1 1 297.782 2.933 20 0 CFADMM O=C(NCc1ccccc1F)c1c(F)ccc([O-])c1F ZINC000334245851 378975900 /nfs/dbraw/zinc/97/59/00/378975900.db2.gz SHRKQZFUFWVMKX-UHFFFAOYSA-N -1 1 281.233 2.740 20 0 CFADMM Cc1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1F ZINC000334237701 378965345 /nfs/dbraw/zinc/96/53/45/378965345.db2.gz SDSCRDZJJOCNML-UHFFFAOYSA-N -1 1 273.263 2.661 20 0 CFADMM O=C1NCc2ccc(NCc3cccc([O-])c3Cl)cc21 ZINC000334257882 378992430 /nfs/dbraw/zinc/99/24/30/378992430.db2.gz OCOFIMWHAHSWOX-UHFFFAOYSA-N -1 1 288.734 2.901 20 0 CFADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000164246289 379011330 /nfs/dbraw/zinc/01/13/30/379011330.db2.gz MGCXUYLSBVVPOJ-QJPTWQEYSA-N -1 1 281.377 2.734 20 0 CFADMM COc1cc(C(=O)N2C[C@@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000334312310 379074514 /nfs/dbraw/zinc/07/45/14/379074514.db2.gz KRWHIQLHXKSKFM-HTQZYQBOSA-N -1 1 269.728 2.535 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCCCc2ccccc21 ZINC000088337212 296289627 /nfs/dbraw/zinc/28/96/27/296289627.db2.gz BXQROZNTDCDCIL-UHFFFAOYSA-N -1 1 268.316 2.770 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000104419358 296289865 /nfs/dbraw/zinc/28/98/65/296289865.db2.gz SFIMZABYZSEPAJ-RISCZKNCSA-N -1 1 260.337 2.582 20 0 CFADMM O=C(N[C@H]1CCc2cc(F)ccc21)C(=O)c1ccc([O-])cc1 ZINC000334341362 379123678 /nfs/dbraw/zinc/12/36/78/379123678.db2.gz JALLEBIKPISBBL-HNNXBMFYSA-N -1 1 299.301 2.518 20 0 CFADMM CCc1ocnc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000334343316 379127258 /nfs/dbraw/zinc/12/72/58/379127258.db2.gz LXHKLWGOBYCRJU-UHFFFAOYSA-N -1 1 266.684 2.848 20 0 CFADMM CC[C@H]1[C@@H](CO)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000335406748 379232159 /nfs/dbraw/zinc/23/21/59/379232159.db2.gz BOBSATPKOCFAQG-ZBFHGGJFSA-N -1 1 299.370 2.778 20 0 CFADMM CC[C@H]1[C@H](CO)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000335406747 379233146 /nfs/dbraw/zinc/23/31/46/379233146.db2.gz BOBSATPKOCFAQG-HOCLYGCPSA-N -1 1 299.370 2.778 20 0 CFADMM C[C@H]1CCN(Cc2cccc(F)c2F)C[C@H]1C(=O)[O-] ZINC000335421583 379267247 /nfs/dbraw/zinc/26/72/47/379267247.db2.gz DKRKRHUBBVKFGY-GXSJLCMTSA-N -1 1 269.291 2.507 20 0 CFADMM CC1(C)C[C@@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000334424067 379272467 /nfs/dbraw/zinc/27/24/67/379272467.db2.gz GEVXATPOAGQCMV-LLVKDONJSA-N -1 1 271.320 2.767 20 0 CFADMM Cc1nc(NC(=O)c2c(F)ccc([O-])c2F)sc1C ZINC000334457820 379333405 /nfs/dbraw/zinc/33/34/05/379333405.db2.gz PXYXQBXHAGTWBQ-UHFFFAOYSA-N -1 1 284.287 2.996 20 0 CFADMM Cc1[nH+]cn(Cc2cc(=O)oc3c(C)c(O)ccc23)c1C ZINC000171667059 379365911 /nfs/dbraw/zinc/36/59/11/379365911.db2.gz ZNZGPCFALOQUJE-UHFFFAOYSA-N -1 1 284.315 2.669 20 0 CFADMM Cc1ccc(F)cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000334476914 379366179 /nfs/dbraw/zinc/36/61/79/379366179.db2.gz PJGZFGZACFNHBP-UHFFFAOYSA-N -1 1 288.204 2.523 20 0 CFADMM C[C@@H]1C[C@@H](CO)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000335531979 379464783 /nfs/dbraw/zinc/46/47/83/379464783.db2.gz RWRGADKVJIMBBF-CHWSQXEVSA-N -1 1 299.370 2.636 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000172051157 379478360 /nfs/dbraw/zinc/47/83/60/379478360.db2.gz WTUCIYTWVTZPGH-MRXNPFEDSA-N -1 1 272.348 2.750 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H](c2cccnc2)C1 ZINC000335554470 379501759 /nfs/dbraw/zinc/50/17/59/379501759.db2.gz VPFJBUZGBCNKKK-GFCCVEGCSA-N -1 1 286.306 2.556 20 0 CFADMM CCO[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C[C@H]1C ZINC000334542159 379492619 /nfs/dbraw/zinc/49/26/19/379492619.db2.gz ASUSIBIMWLNUKC-YGRLFVJLSA-N -1 1 297.782 2.933 20 0 CFADMM O=S(=O)([N-]C1CCCC1)c1sccc1Cl ZINC000335591315 379573621 /nfs/dbraw/zinc/57/36/21/379573621.db2.gz SUJSVVHEMRSHTD-UHFFFAOYSA-N -1 1 265.787 2.622 20 0 CFADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1cccc(O)c1 ZINC000335674182 379699923 /nfs/dbraw/zinc/69/99/23/379699923.db2.gz RSQLQFDTFHEEKE-MRVPVSSYSA-N -1 1 293.269 2.867 20 0 CFADMM C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1cncc([O-])c1 ZINC000335703286 379752423 /nfs/dbraw/zinc/75/24/23/379752423.db2.gz 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/nfs/dbraw/zinc/02/58/49/381025849.db2.gz AXEYUBDQMKPEHD-UHFFFAOYSA-N -1 1 282.343 2.900 20 0 CFADMM CC(C)(C)[C@H]1CCCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000288048084 380998841 /nfs/dbraw/zinc/99/88/41/380998841.db2.gz FDGRVABLUZRDAH-ZDUSSCGKSA-N -1 1 289.375 2.860 20 0 CFADMM COc1cncc(CSc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000289622104 381073319 /nfs/dbraw/zinc/07/33/19/381073319.db2.gz LTGFLIGVPPXWCJ-UHFFFAOYSA-N -1 1 289.360 2.756 20 0 CFADMM CCN(Cc1cccs1)C(=O)c1ncc(C)cc1[O-] ZINC000358735095 381042813 /nfs/dbraw/zinc/04/28/13/381042813.db2.gz PIMFTGJAPTUHFH-UHFFFAOYSA-N -1 1 276.361 2.819 20 0 CFADMM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1ncccc1[O-] ZINC000358784343 381082231 /nfs/dbraw/zinc/08/22/31/381082231.db2.gz YBZLKRCCXVUOGR-SNVBAGLBSA-N -1 1 284.306 2.733 20 0 CFADMM CO[C@@H]1C[C@H](N=c2[n-]c(C(F)(F)F)cs2)C1(C)C ZINC000347466534 381168558 /nfs/dbraw/zinc/16/85/58/381168558.db2.gz RURYNRPZKAPTOA-POYBYMJQSA-N -1 1 280.315 2.809 20 0 CFADMM Cc1ccc2oc([N-][C@@H](C(N)=O)c3ccccc3)nc2c1 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CCCNC(=O)CCCSc1nc(CCC)cc(=O)[n-]1 ZINC000298489390 381648367 /nfs/dbraw/zinc/64/83/67/381648367.db2.gz UYOPPLDHSBIPHM-UHFFFAOYSA-N -1 1 297.424 2.533 20 0 CFADMM Cn1cc([C@H]2C[C@H]2C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000371572727 381660958 /nfs/dbraw/zinc/66/09/58/381660958.db2.gz SDENYLKTQBSSOE-GHMZBOCLSA-N -1 1 291.738 2.521 20 0 CFADMM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000359935688 381689664 /nfs/dbraw/zinc/68/96/64/381689664.db2.gz GWCXOOBUACZIKS-ZJUUUORDSA-N -1 1 289.347 2.679 20 0 CFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1=CCCCCC1 ZINC000185736321 381719251 /nfs/dbraw/zinc/71/92/51/381719251.db2.gz WGBHZNUPWYQZCW-UHFFFAOYSA-N -1 1 274.246 2.653 20 0 CFADMM CCC[N@H+]1CCCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000372655752 381848283 /nfs/dbraw/zinc/84/82/83/381848283.db2.gz PEQBOOSBTARHNK-UHFFFAOYSA-N -1 1 296.798 2.604 20 0 CFADMM CCCCCc1nnc([N-]C(=O)c2ncoc2C)s1 ZINC000299193884 381856938 /nfs/dbraw/zinc/85/69/38/381856938.db2.gz KWOVDPJZSVQJGP-UHFFFAOYSA-N -1 1 280.353 2.820 20 0 CFADMM CCC[C@@H](CC(C)C)C(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC000415625716 381863237 /nfs/dbraw/zinc/86/32/37/381863237.db2.gz FGCDOMFVMKGFEM-NSHDSACASA-N -1 1 295.383 2.987 20 0 CFADMM CCC[C@@H](CC(C)C)C(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC000415625716 381863244 /nfs/dbraw/zinc/86/32/44/381863244.db2.gz FGCDOMFVMKGFEM-NSHDSACASA-N -1 1 295.383 2.987 20 0 CFADMM O=S(=O)(CC1CCC1)[N-][C@@H](c1ccccc1)C(F)F ZINC000293138425 382004073 /nfs/dbraw/zinc/00/40/73/382004073.db2.gz ZPCZGZYVAJNCAJ-LBPRGKRZSA-N -1 1 289.347 2.712 20 0 CFADMM COc1cccc(F)c1[N-]S(=O)(=O)c1cc(C)oc1C ZINC000187049409 382086427 /nfs/dbraw/zinc/08/64/27/382086427.db2.gz ZZFGLUYHHSQLML-UHFFFAOYSA-N -1 1 299.323 2.845 20 0 CFADMM O=C(CCCn1cccn1)Nc1ccc([O-])c(Cl)c1 ZINC000357369842 382137027 /nfs/dbraw/zinc/13/70/27/382137027.db2.gz GYSRKCRQLKMEBL-UHFFFAOYSA-N -1 1 279.727 2.661 20 0 CFADMM COc1ccc2ccc(C(=O)Nc3ccncc3[O-])cc2c1 ZINC000344120742 382141194 /nfs/dbraw/zinc/14/11/94/382141194.db2.gz CKHQYKBZPZJLPD-UHFFFAOYSA-N -1 1 294.310 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282.315 2.903 20 0 CFADMM O=C(c1cncc([O-])c1)N1CC[C@H](CC2CCCC2)C1 ZINC000364620395 382341255 /nfs/dbraw/zinc/34/12/55/382341255.db2.gz DKZOYCJKTAFKJP-CYBMUJFWSA-N -1 1 274.364 2.830 20 0 CFADMM O=c1[n-]c([C@@H]2CCCN(Cc3cc4ccccc4o3)C2)n[nH]1 ZINC000377583295 382296079 /nfs/dbraw/zinc/29/60/79/382296079.db2.gz MFWLKQVEIDYJJW-GFCCVEGCSA-N -1 1 298.346 2.636 20 0 CFADMM COCCCCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000188139885 382353850 /nfs/dbraw/zinc/35/38/50/382353850.db2.gz GMEPKLACEQQZQQ-UHFFFAOYSA-N -1 1 268.382 2.968 20 0 CFADMM CCOC(=O)[C@H](C)[C@H](C)N=c1nc(C2CCCC2)[n-]s1 ZINC000420608342 382423378 /nfs/dbraw/zinc/42/33/78/382423378.db2.gz CZZPQRODBZOSBI-ZJUUUORDSA-N -1 1 297.424 2.617 20 0 CFADMM O=C(c1c(F)ccc([O-])c1F)N1Cc2ccccc2CO1 ZINC000365623958 382425987 /nfs/dbraw/zinc/42/59/87/382425987.db2.gz XPBOEBUGMWZKGR-UHFFFAOYSA-N -1 1 291.253 2.758 20 0 CFADMM COC(=O)C(C)(C)CN=c1nc(C2CCCCC2)[n-]s1 ZINC000420601475 382420950 /nfs/dbraw/zinc/42/09/50/382420950.db2.gz 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ZINC000634600855 383262670 /nfs/dbraw/zinc/26/26/70/383262670.db2.gz VNZSBLKYUBNNOD-ZDUSSCGKSA-N -1 1 280.331 2.562 20 0 CFADMM O=c1c2c([n-]n1CC(F)(F)C(F)(F)F)CCCC2 ZINC000634604560 383267164 /nfs/dbraw/zinc/26/71/64/383267164.db2.gz JUIWTNAHZGNXNF-LURJTMIESA-N -1 1 270.201 2.572 20 0 CFADMM CCc1c(=O)n(-c2cccnn2)[n-]c1-c1cccc(C)c1 ZINC000634606744 383267757 /nfs/dbraw/zinc/26/77/57/383267757.db2.gz AFRCLGUZSALZCR-CYBMUJFWSA-N -1 1 280.331 2.562 20 0 CFADMM CCc1[n-]n(-c2ncc(Cl)cn2)c(=O)c1C(C)C ZINC000634606303 383268233 /nfs/dbraw/zinc/26/82/33/383268233.db2.gz NLVLNHHUEBABFV-JTQLQIEISA-N -1 1 266.732 2.515 20 0 CFADMM C[C@H]1CCc2[n-]n(Cc3ccccc3F)c(=O)c2C1 ZINC000634607703 383269281 /nfs/dbraw/zinc/26/92/81/383269281.db2.gz FSYNXPHMYRUKJE-JQWIXIFHSA-N -1 1 260.312 2.960 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCC[C@@H]2C)c1 ZINC000424819396 383271047 /nfs/dbraw/zinc/27/10/47/383271047.db2.gz JMLGEGDWVWGKAS-JQWIXIFHSA-N -1 1 291.347 2.944 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3cccc(C(F)(F)F)n3)c(=O)c21 ZINC000634611715 383272665 /nfs/dbraw/zinc/27/26/65/383272665.db2.gz BRHOULQBBBNGOC-RDDDGLTNSA-N -1 1 283.253 2.849 20 0 CFADMM O=c1c2c([n-]n1CCc1ccccn1)CCCCCC2 ZINC000634614560 383274720 /nfs/dbraw/zinc/27/47/20/383274720.db2.gz GGERKIWPJWBZNS-CQSZACIVSA-N -1 1 271.364 2.793 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3nc(C(F)(F)F)cs3)c(=O)c21 ZINC000634615518 383275400 /nfs/dbraw/zinc/27/54/00/383275400.db2.gz JGYFODRZABAQID-SVGQVSJJSA-N -1 1 289.282 2.911 20 0 CFADMM [O-]c1cccnc1CN(Cc1ccco1)Cc1cccnc1 ZINC000566840604 383216969 /nfs/dbraw/zinc/21/69/69/383216969.db2.gz GYSUVFXCONUOFS-UHFFFAOYSA-N -1 1 295.342 2.978 20 0 CFADMM O=c1c2c([n-]n1CCOCC(F)(F)F)CCCCCC2 ZINC000634619587 383279229 /nfs/dbraw/zinc/27/92/29/383279229.db2.gz DDIHTRLJRXYCIL-JTQLQIEISA-N -1 1 292.301 2.734 20 0 CFADMM Cc1c(-c2ccccc2)[n-]n([C@@H]2CCOC(C)(C)C2)c1=O ZINC000634621785 383280187 /nfs/dbraw/zinc/28/01/87/383280187.db2.gz PQJYBAVRELFBJN-GXTWGEPZSA-N -1 1 286.375 2.827 20 0 CFADMM Cc1cccc(OC(F)F)c1NC(=O)c1cncc([O-])c1 ZINC000339825902 383332532 /nfs/dbraw/zinc/33/25/32/383332532.db2.gz JZUWETLEEMUXPC-UHFFFAOYSA-N -1 1 294.257 2.949 20 0 CFADMM Cc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)C)c(F)c1 ZINC000425151807 383333584 /nfs/dbraw/zinc/33/35/84/383333584.db2.gz AIZPPEMZNXIRQB-UHFFFAOYSA-N -1 1 277.336 2.598 20 0 CFADMM COc1cc(F)ccc1-n1[n-]c(C)c(C2CC2)c1=O ZINC000634624748 383283529 /nfs/dbraw/zinc/28/35/29/383283529.db2.gz POAVZBWMLZILJS-ZDUSSCGKSA-N -1 1 262.284 2.583 20 0 CFADMM O=c1c2c([n-]n1C13CC(C1)C3)-c1ccccc1CCC2 ZINC000634624858 383283815 /nfs/dbraw/zinc/28/38/15/383283815.db2.gz SQYJGAAGYIOCDT-CHHLVHLRSA-N -1 1 266.344 2.738 20 0 CFADMM O=c1c2c([n-]n1C[C@H]1CCSC1)CCCCCC2 ZINC000634629592 383288265 /nfs/dbraw/zinc/28/82/65/383288265.db2.gz XRFXXUPXNKYOQB-NEPJUHHUSA-N -1 1 266.410 2.908 20 0 CFADMM CC(C)c1c(Cc2ccccc2)[n-]n(-c2nccn2C)c1=O ZINC000634630100 383288551 /nfs/dbraw/zinc/28/85/51/383288551.db2.gz MLNSCRBPTGVCAC-OAHLLOKOSA-N -1 1 296.374 2.638 20 0 CFADMM Cc1c(C(=O)[O-])cccc1N1N=C2CC[C@H](C)C[C@H]2C1=O ZINC000634632909 383291766 /nfs/dbraw/zinc/29/17/66/383291766.db2.gz DSFUKHCEUUYLLG-JOYOIKCWSA-N -1 1 286.331 2.832 20 0 CFADMM Cc1c(C(=O)[O-])cccc1-n1[nH]c2c(c1=O)C[C@@H](C)CC2 ZINC000634632909 383291769 /nfs/dbraw/zinc/29/17/69/383291769.db2.gz DSFUKHCEUUYLLG-JOYOIKCWSA-N -1 1 286.331 2.832 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3cc(F)cc(F)c3F)c(=O)c21 ZINC000634632932 383291896 /nfs/dbraw/zinc/29/18/96/383291896.db2.gz DZWNSMNFUWSICM-UPONEAKYSA-N -1 1 268.238 2.853 20 0 CFADMM CCCCc1[nH]n(-c2ccc(CC(=O)[O-])cc2)c(=O)c1C ZINC000634633349 383292457 /nfs/dbraw/zinc/29/24/57/383292457.db2.gz STPODGLKAZVYAN-LLVKDONJSA-N -1 1 288.347 2.843 20 0 CFADMM CCSCC[C@H](C)N(C)Cc1nc(C(=O)[O-])cs1 ZINC000567742749 383310544 /nfs/dbraw/zinc/31/05/44/383310544.db2.gz SZKBJAVXSIFUHW-VIFPVBQESA-N -1 1 288.438 2.805 20 0 CFADMM Cc1[nH]c2ccc(CNC(=O)c3cncc([O-])c3)cc2c1C ZINC000339799158 383322791 /nfs/dbraw/zinc/32/27/91/383322791.db2.gz SDYRAOXICLALQH-UHFFFAOYSA-N -1 1 295.342 2.815 20 0 CFADMM O=C(NCc1ccc(-c2ccccc2)o1)c1cncc([O-])c1 ZINC000339811864 383326039 /nfs/dbraw/zinc/32/60/39/383326039.db2.gz GODGOBNDXMPLSI-UHFFFAOYSA-N -1 1 294.310 2.977 20 0 CFADMM Cc1ccnc([C@H]2CC[N@H+]([C@H](C)c3nc(C)cc(=O)[nH]3)C2)c1 ZINC000568410102 383399776 /nfs/dbraw/zinc/39/97/76/383399776.db2.gz BGGUKXIHJZHJFF-KGLIPLIRSA-N -1 1 298.390 2.745 20 0 CFADMM COC(=O)c1nc[nH]c1NC(=O)C[C@H]1CCCCC1(C)C ZINC000568408373 383400005 /nfs/dbraw/zinc/40/00/05/383400005.db2.gz LMXQVXWBRHDANM-SNVBAGLBSA-N -1 1 293.367 2.741 20 0 CFADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1csc(-c2ccoc2)n1 ZINC000568074728 383355339 /nfs/dbraw/zinc/35/53/39/383355339.db2.gz OHRGRLLVDQUMBY-SKDRFNHKSA-N -1 1 292.360 2.698 20 0 CFADMM Cc1cnc(SCc2ncc(C3CC3)o2)[n-]c1=O ZINC000568272015 383385990 /nfs/dbraw/zinc/38/59/90/383385990.db2.gz OAFSVEKUPDYZST-UHFFFAOYSA-N -1 1 263.322 2.648 20 0 CFADMM O=C(NCc1ccc(Cl)cc1F)c1ncccc1[O-] ZINC000428276744 383440418 /nfs/dbraw/zinc/44/04/18/383440418.db2.gz MOVHFGJSPBHHGN-UHFFFAOYSA-N -1 1 280.686 2.510 20 0 CFADMM CCc1cc(=O)[n-]c(S[C@H]2C[C@H](C)CCC2=O)n1 ZINC000568951272 383451635 /nfs/dbraw/zinc/45/16/35/383451635.db2.gz PGACSJHVTVMZDL-KCJUWKMLSA-N -1 1 266.366 2.594 20 0 CFADMM C[C@@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])o1 ZINC000569347509 383490153 /nfs/dbraw/zinc/49/01/53/383490153.db2.gz FUOBIFKYYQVUIJ-LLVKDONJSA-N -1 1 271.316 2.925 20 0 CFADMM CC1(C(=O)[N-]O[C@@H]2CCCCO2)CCC(F)(F)CC1 ZINC000528331089 383494981 /nfs/dbraw/zinc/49/49/81/383494981.db2.gz MDSYDFNZOVNTMW-SNVBAGLBSA-N -1 1 277.311 2.776 20 0 CFADMM CCc1nc(S[C@@H](C)c2csnn2)[n-]c(=O)c1C ZINC000569500962 383506768 /nfs/dbraw/zinc/50/67/68/383506768.db2.gz CBUQRQTYOPLRFV-ZETCQYMHSA-N -1 1 282.394 2.758 20 0 CFADMM Cc1ccc([C@@H](C)N(C)Cc2cc(C(=O)[O-])nn2C)cc1 ZINC000635299980 383526626 /nfs/dbraw/zinc/52/66/26/383526626.db2.gz LYNRVAHIIQAPRQ-GFCCVEGCSA-N -1 1 287.363 2.620 20 0 CFADMM Cc1cc([C@H](C)NCc2cc(C(=O)[O-])nn2C)c(C)s1 ZINC000635305463 383528471 /nfs/dbraw/zinc/52/84/71/383528471.db2.gz PCENLETZYQANAY-VIFPVBQESA-N -1 1 293.392 2.647 20 0 CFADMM CC(C)[C@H]1N(Cc2cc(C(=O)[O-])nn2C)CC12CCCC2 ZINC000635311202 383529914 /nfs/dbraw/zinc/52/99/14/383529914.db2.gz MXPPMZXCSAFILL-CQSZACIVSA-N -1 1 291.395 2.519 20 0 CFADMM CCc1nc(C)c(CNCc2ccc(C(=O)[O-])cc2)o1 ZINC000261646140 383535250 /nfs/dbraw/zinc/53/52/50/383535250.db2.gz CWJMAVCLRCEGIB-UHFFFAOYSA-N -1 1 274.320 2.533 20 0 CFADMM O=C([O-])c1cnc2ccccc2c1N1CCC[C@H]1CF ZINC000569814398 383540279 /nfs/dbraw/zinc/54/02/79/383540279.db2.gz WXCNIVAOZZUECO-JTQLQIEISA-N -1 1 274.295 2.871 20 0 CFADMM COC(=O)c1c[n-]c(SC[C@H]2CCCC2(F)F)n1 ZINC000450897310 383540311 /nfs/dbraw/zinc/54/03/11/383540311.db2.gz AIXQZRGZZWYGKT-SSDOTTSWSA-N -1 1 276.308 2.724 20 0 CFADMM Cc1oc([C@@H](C)N(C)C[C@@H]2CCCCO2)cc1C(=O)[O-] ZINC000569934609 383553014 /nfs/dbraw/zinc/55/30/14/383553014.db2.gz JWRYACAYHYLSSI-PWSUYJOCSA-N -1 1 281.352 2.848 20 0 CFADMM COCc1nc(=N[C@@H](C)[C@H]2CCC[C@H](C)C2)s[n-]1 ZINC000450934970 383558130 /nfs/dbraw/zinc/55/81/30/383558130.db2.gz XTFJQQGWBCBQNR-DCAQKATOSA-N -1 1 269.414 2.733 20 0 CFADMM CCCN(CCC)C(=O)c1c(F)ccc([O-])c1F ZINC000280862663 195005414 /nfs/dbraw/zinc/00/54/14/195005414.db2.gz XEYZWFRGNDYDAO-UHFFFAOYSA-N -1 1 257.280 2.933 20 0 CFADMM O=C([O-])[C@@H]1CN(Cc2cccc(F)c2)C[C@H]1C(F)(F)F ZINC000262922879 383644910 /nfs/dbraw/zinc/64/49/10/383644910.db2.gz HCQPRGNFZSLCCM-GHMZBOCLSA-N -1 1 291.244 2.521 20 0 CFADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cc(F)c(F)c(F)c2)C1 ZINC000263012843 383648804 /nfs/dbraw/zinc/64/88/04/383648804.db2.gz CHJLALCDUAVBCN-SCZZXKLOSA-N -1 1 287.281 2.647 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c1 ZINC000451452811 383618699 /nfs/dbraw/zinc/61/86/99/383618699.db2.gz FDPXLFHGXFBNLS-JBLDHEPKSA-N -1 1 289.331 2.554 20 0 CFADMM CC1(CC[N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC000451476421 383623893 /nfs/dbraw/zinc/62/38/93/383623893.db2.gz FNOAAHKTMSPAKW-UHFFFAOYSA-N -1 1 279.814 2.870 20 0 CFADMM CCN(CC(C)C)C(=O)c1c(F)ccc([O-])c1F ZINC000280879794 195012455 /nfs/dbraw/zinc/01/24/55/195012455.db2.gz YQASOKGFSKLUNG-UHFFFAOYSA-N -1 1 257.280 2.789 20 0 CFADMM CC[C@@H](C)c1ccc(NC(=O)CN(C)CCC(=O)[O-])cc1 ZINC000262667895 383634275 /nfs/dbraw/zinc/63/42/75/383634275.db2.gz QDWPIINNEFWYRF-GFCCVEGCSA-N -1 1 292.379 2.545 20 0 CFADMM CC[C@@H](C)c1cccc(NC(=O)CCCc2nn[n-]n2)c1 ZINC000636252258 383752591 /nfs/dbraw/zinc/75/25/91/383752591.db2.gz HOCZBUWDSIQWFP-LLVKDONJSA-N -1 1 287.367 2.675 20 0 CFADMM Cc1cc([C@H](C)N2CCS[C@H](C)C2)oc1C(=O)[O-] ZINC000572127630 383758213 /nfs/dbraw/zinc/75/82/13/383758213.db2.gz LWCKHQSPFGHATQ-ZJUUUORDSA-N -1 1 269.366 2.785 20 0 CFADMM C[C@@H]1SCC[C@H]1NC(=O)N=c1[n-]sc2ccccc21 ZINC000640338443 383765631 /nfs/dbraw/zinc/76/56/31/383765631.db2.gz XMFVMIRIWRNUOD-WCBMZHEXSA-N -1 1 293.417 2.734 20 0 CFADMM C[C@@H]1CC[C@H]1NC(=O)N=c1[n-]sc2ccccc21 ZINC000640340027 383765741 /nfs/dbraw/zinc/76/57/41/383765741.db2.gz MSHFQDZALWWTEF-PSASIEDQSA-N -1 1 261.350 2.638 20 0 CFADMM CCCCN(C)C(=O)N=c1[n-]sc2ccccc21 ZINC000640343108 383767007 /nfs/dbraw/zinc/76/70/07/383767007.db2.gz ZBXIMQRPAAKYKC-UHFFFAOYSA-N -1 1 263.366 2.982 20 0 CFADMM CCC[C@H](CNC(=O)N=c1[n-]sc2ccccc21)OC ZINC000640340260 383767156 /nfs/dbraw/zinc/76/71/56/383767156.db2.gz PYGDUEHABCLDMY-SNVBAGLBSA-N -1 1 293.392 2.655 20 0 CFADMM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000645879947 383777667 /nfs/dbraw/zinc/77/76/67/383777667.db2.gz YGGXQNHZZDMREF-SVRRBLITSA-N -1 1 297.854 2.574 20 0 CFADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)CCCO1 ZINC000572728375 383811023 /nfs/dbraw/zinc/81/10/23/383811023.db2.gz MOLWMKLNPKRIGP-SNVBAGLBSA-N -1 1 283.755 2.649 20 0 CFADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)CCCO1 ZINC000572728374 383811945 /nfs/dbraw/zinc/81/19/45/383811945.db2.gz MOLWMKLNPKRIGP-JTQLQIEISA-N -1 1 283.755 2.649 20 0 CFADMM O=C(Nc1ncc(C(F)(F)F)[nH]1)c1ccc(F)cc1[O-] ZINC000436512110 383827390 /nfs/dbraw/zinc/82/73/90/383827390.db2.gz JQLYAXZPVUSVTJ-UHFFFAOYSA-N -1 1 289.188 2.526 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)CCC(C)(C)C)c1 ZINC000436503279 383824351 /nfs/dbraw/zinc/82/43/51/383824351.db2.gz HGNVSKQFWWWFHA-UHFFFAOYSA-N -1 1 279.336 2.944 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CC[C@H](C)C2)c1 ZINC000436503828 383824934 /nfs/dbraw/zinc/82/49/34/383824934.db2.gz HYWCMAILYKXLMP-WDEREUQCSA-N -1 1 291.347 2.944 20 0 CFADMM O=C([O-])CCCCCN1CCO[C@H](c2cccs2)C1 ZINC000572889686 383835473 /nfs/dbraw/zinc/83/54/73/383835473.db2.gz XKIJQADRMBNTFB-LBPRGKRZSA-N -1 1 283.393 2.766 20 0 CFADMM C[C@H]1CCCC[C@H]1OCCNC(=O)c1cc(F)ccc1[O-] ZINC000436567244 383839616 /nfs/dbraw/zinc/83/96/16/383839616.db2.gz ZONVTQPLXGVNTJ-XHDPSFHLSA-N -1 1 295.354 2.856 20 0 CFADMM C[C@H](Cc1ccncc1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000436576726 383842488 /nfs/dbraw/zinc/84/24/88/383842488.db2.gz RKIGECZTVBZPQW-SNVBAGLBSA-N -1 1 290.750 2.802 20 0 CFADMM COCCN(C(=O)c1cc(F)ccc1[O-])[C@H]1CC[C@H](C)C1 ZINC000436595629 383849722 /nfs/dbraw/zinc/84/97/22/383849722.db2.gz NBWZJZVNHWRYQR-AAEUAGOBSA-N -1 1 295.354 2.809 20 0 CFADMM CC[C@@H](C)n1ncc(NC(=O)c2ccc(O)cc2[O-])c1C ZINC000436598434 383850316 /nfs/dbraw/zinc/85/03/16/383850316.db2.gz ZEFNECLPOLKPPB-SECBINFHSA-N -1 1 289.335 2.826 20 0 CFADMM CC(C)c1ccc(C(=O)N(C)c2nncs2)c([O-])c1 ZINC000436657672 383866790 /nfs/dbraw/zinc/86/67/90/383866790.db2.gz JUJYHXVGHWRQRV-UHFFFAOYSA-N -1 1 277.349 2.644 20 0 CFADMM C[C@@H](c1cccs1)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436671131 383868547 /nfs/dbraw/zinc/86/85/47/383868547.db2.gz HTARHMWOQOUJCZ-JTQLQIEISA-N -1 1 289.356 2.856 20 0 CFADMM Cc1cc(CCNC(=O)c2cc3ccccc3cc2[O-])on1 ZINC000436676777 383870490 /nfs/dbraw/zinc/87/04/90/383870490.db2.gz SXOZHLZTQJFGQR-UHFFFAOYSA-N -1 1 296.326 2.814 20 0 CFADMM O=C(Nc1cc(C2CC2)ccn1)c1ccccc1[O-] ZINC000436528612 383829182 /nfs/dbraw/zinc/82/91/82/383829182.db2.gz MDEOUTFWZXKLSM-UHFFFAOYSA-N -1 1 254.289 2.917 20 0 CFADMM CCc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436528712 383829523 /nfs/dbraw/zinc/82/95/23/383829523.db2.gz PBEAMFGVRFDJJT-UHFFFAOYSA-N -1 1 269.300 2.776 20 0 CFADMM COc1ccc(C(=O)N2C[C@H](C)Oc3ccccc32)c([O-])c1 ZINC000436546149 383834904 /nfs/dbraw/zinc/83/49/04/383834904.db2.gz TZMPABQOWVYSRM-NSHDSACASA-N -1 1 299.326 2.829 20 0 CFADMM CC[C@@H](CC(=O)NCc1cc(=O)[n-]c(SC)n1)C(C)C ZINC000640658530 383882202 /nfs/dbraw/zinc/88/22/02/383882202.db2.gz OYCROXMFXYIPEZ-JTQLQIEISA-N -1 1 297.424 2.593 20 0 CFADMM C[C@@H]1CCC[C@]1(O)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000436728166 383882989 /nfs/dbraw/zinc/88/29/89/383882989.db2.gz ILCJKZJLNCJGJI-XIKOKIGWSA-N -1 1 299.370 2.826 20 0 CFADMM O=C(NCCC1(F)CCC1)c1cc(F)ccc1[O-] ZINC000436736688 383884413 /nfs/dbraw/zinc/88/44/13/383884413.db2.gz OREHUBKGQSSDBA-UHFFFAOYSA-N -1 1 255.264 2.543 20 0 CFADMM O=C(N[C@@H]1CC[C@@H](F)C1)c1ccc(Cl)cc1[O-] ZINC000436742620 383886980 /nfs/dbraw/zinc/88/69/80/383886980.db2.gz FOGPMCQYUXEXAH-RKDXNWHRSA-N -1 1 257.692 2.666 20 0 CFADMM COc1ccccc1[C@H](NCc1cccc(F)c1)C(=O)[O-] ZINC000426816025 533020436 /nfs/dbraw/zinc/02/04/36/533020436.db2.gz IMOFAXZBNQPMFW-HNNXBMFYSA-N -1 1 289.306 2.750 20 0 CFADMM COCCN(C(=O)c1cc(F)ccc1[O-])[C@H]1CCC[C@H]1C ZINC000436744601 383888176 /nfs/dbraw/zinc/88/81/76/383888176.db2.gz NSIMHLQSBUVTHM-RISCZKNCSA-N -1 1 295.354 2.809 20 0 CFADMM O=C(Nc1ccc(-n2ccnc2)cc1)c1cc(F)ccc1[O-] ZINC000436758643 383890589 /nfs/dbraw/zinc/89/05/89/383890589.db2.gz ZELPTQKPTIAQRE-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM COC(=O)c1c(C)cccc1NC(=O)c1ccccc1[O-] ZINC000436757041 383891011 /nfs/dbraw/zinc/89/10/11/383891011.db2.gz FYFDFRVMACNWRM-UHFFFAOYSA-N -1 1 285.299 2.740 20 0 CFADMM CSc1cc(CNC(=O)c2cc(F)ccc2[O-])ccn1 ZINC000436764573 383892274 /nfs/dbraw/zinc/89/22/74/383892274.db2.gz MDRLLWGLGLMMOJ-UHFFFAOYSA-N -1 1 292.335 2.578 20 0 CFADMM Cc1cc(=O)[nH]c(C=Cc2cc(F)c([O-])c(F)c2)n1 ZINC000436785210 383895632 /nfs/dbraw/zinc/89/56/32/383895632.db2.gz SPSDMZZTDIZFTD-IHWYPQMZSA-N -1 1 264.231 2.645 20 0 CFADMM CCc1nc(SCC[C@H]2CCCC2=O)[n-]c(=O)c1C ZINC000573221909 383896527 /nfs/dbraw/zinc/89/65/27/383896527.db2.gz UZFQNUGEXBXZMU-SNVBAGLBSA-N -1 1 280.393 2.904 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccccc1C(F)(F)F ZINC000646410757 383989534 /nfs/dbraw/zinc/98/95/34/383989534.db2.gz WNDNPUFOOIUYGM-UHFFFAOYSA-N -1 1 285.225 2.695 20 0 CFADMM CC[C@@H](CC(=O)Nc1c(C)[n-][nH]c1=O)c1ccccc1 ZINC000646410435 383989723 /nfs/dbraw/zinc/98/97/23/383989723.db2.gz HURRWVKMSHONJQ-NSHDSACASA-N -1 1 273.336 2.946 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc2ccccc2cc1O ZINC000646413387 383990761 /nfs/dbraw/zinc/99/07/61/383990761.db2.gz XATKVTXFYMFLTA-UHFFFAOYSA-N -1 1 283.287 2.535 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000646411962 383990851 /nfs/dbraw/zinc/99/08/51/383990851.db2.gz ZUQREDVQOVAILM-ZETCQYMHSA-N -1 1 279.727 2.819 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H](C)c1ccccc1C ZINC000646412093 383991128 /nfs/dbraw/zinc/99/11/28/383991128.db2.gz 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384488062 /nfs/dbraw/zinc/48/80/62/384488062.db2.gz NCEPIIKMKFEOMM-UHFFFAOYSA-N -1 1 266.272 2.550 20 0 CFADMM O=C([N-]OCc1ccc(F)cc1)C1(C2CC2)CCOCC1 ZINC000363801616 220320753 /nfs/dbraw/zinc/32/07/53/220320753.db2.gz YRGXEVFIHZXJPQ-UHFFFAOYSA-N -1 1 293.338 2.580 20 0 CFADMM Cc1ccc([C@@H]2C[C@@H]2C(=O)[N-]O[C@H]2CCCCO2)s1 ZINC000364039027 220321655 /nfs/dbraw/zinc/32/16/55/220321655.db2.gz FMBAHZUHHBQKSG-MDZLAQPJSA-N -1 1 281.377 2.734 20 0 CFADMM Cc1ccc([C@@H]2C[C@H]2C(=O)[N-]O[C@@H]2CCCCO2)s1 ZINC000364039030 220322025 /nfs/dbraw/zinc/32/20/25/220322025.db2.gz FMBAHZUHHBQKSG-NQBHXWOUSA-N -1 1 281.377 2.734 20 0 CFADMM Cc1c(NC(=O)c2cncc([O-])c2)cnn1C1CCCC1 ZINC000278394036 384555849 /nfs/dbraw/zinc/55/58/49/384555849.db2.gz FBZLZQDMGVZVQW-UHFFFAOYSA-N -1 1 286.335 2.660 20 0 CFADMM COCC(C)(C)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000412395651 533076750 /nfs/dbraw/zinc/07/67/50/533076750.db2.gz AGMNIMIXGASEHJ-UHFFFAOYSA-N -1 1 273.279 2.672 20 0 CFADMM Cc1cnc(C(=O)N2CCC[C@H]2Cc2ccccc2)c([O-])c1 ZINC000680842361 542372369 /nfs/dbraw/zinc/37/23/69/542372369.db2.gz AFLNFSVHWMRAQK-HNNXBMFYSA-N -1 1 296.370 2.943 20 0 CFADMM [O-]c1ccc(-c2noc(/C=C\[C@@H]3CCCO3)n2)c(F)c1 ZINC000643964809 384797138 /nfs/dbraw/zinc/79/71/38/384797138.db2.gz YWRZMSBOEYHZMC-OAQKJQOQSA-N -1 1 276.267 2.774 20 0 CFADMM CCC[C@@H](C(=O)[N-]OCCSC)c1ccccc1 ZINC000280033399 384857313 /nfs/dbraw/zinc/85/73/13/384857313.db2.gz OQBJOXAEQSARMG-CYBMUJFWSA-N -1 1 267.394 2.981 20 0 CFADMM C[C@H](CO)CCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000270578420 385152583 /nfs/dbraw/zinc/15/25/83/385152583.db2.gz ICHQABLUPNLZEJ-LBPRGKRZSA-N -1 1 287.359 2.684 20 0 CFADMM CCCCC[C@@H](C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000280805503 385160398 /nfs/dbraw/zinc/16/03/98/385160398.db2.gz PXPGERQVUAJPJT-LLVKDONJSA-N -1 1 263.337 2.660 20 0 CFADMM CC(C)[C@@H]1CCCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000280814358 385163981 /nfs/dbraw/zinc/16/39/81/385163981.db2.gz QZDPXZVTBLMIQI-CYBMUJFWSA-N -1 1 289.375 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MXNFLWMVCLUOSA-CQSZACIVSA-N -1 1 286.306 2.904 20 0 CFADMM O=C(N[C@@H]1CCc2ccccc2C1)c1ccc([O-])c(F)c1 ZINC000681015154 542399442 /nfs/dbraw/zinc/39/94/42/542399442.db2.gz BBADYEXVPKYJBC-CQSZACIVSA-N -1 1 285.318 2.819 20 0 CFADMM CC(C)(C)c1cc(NC(=O)c2cc(C(F)F)n[nH]2)n[nH]1 ZINC000639567545 385586009 /nfs/dbraw/zinc/58/60/09/385586009.db2.gz SWRXROQOWOKKKV-UHFFFAOYSA-N -1 1 283.282 2.620 20 0 CFADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc([O-])c(F)c1 ZINC000681019037 542400029 /nfs/dbraw/zinc/40/00/29/542400029.db2.gz FCPVROADCSQEHX-NHYWBVRUSA-N -1 1 295.354 2.856 20 0 CFADMM CCC[C@](C)(O)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000272762383 385607570 /nfs/dbraw/zinc/60/75/70/385607570.db2.gz QPZPSOYNMSWFQN-LBPRGKRZSA-N -1 1 257.717 2.535 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(CCCO)CC1 ZINC000272887489 385642993 /nfs/dbraw/zinc/64/29/93/385642993.db2.gz ZNZQBFLBPYXIBF-UHFFFAOYSA-N -1 1 297.782 2.670 20 0 CFADMM O=C(NCc1ccc(F)cc1F)c1ccc([O-])c(F)c1 ZINC000681017336 542400319 /nfs/dbraw/zinc/40/03/19/542400319.db2.gz SBTQHJLHQLWPOS-UHFFFAOYSA-N -1 1 281.233 2.740 20 0 CFADMM CCCc1nnc(NC(=O)c2ccc([O-])c(F)c2)s1 ZINC000681021064 542400877 /nfs/dbraw/zinc/40/08/77/542400877.db2.gz ITQZLOYBTMQNJD-UHFFFAOYSA-N -1 1 281.312 2.588 20 0 CFADMM CC(C)C[C@H]1C[C@H](NC(=O)c2c([O-])cccc2F)CCO1 ZINC000274743679 385861778 /nfs/dbraw/zinc/86/17/78/385861778.db2.gz NZVCIZCTDOCPJM-NEPJUHHUSA-N -1 1 295.354 2.855 20 0 CFADMM O=C(Nc1cc(Cl)ccn1)c1ccc([O-])c(F)c1 ZINC000681039461 542403157 /nfs/dbraw/zinc/40/31/57/542403157.db2.gz VXXVQASKWRTDPC-UHFFFAOYSA-N -1 1 266.659 2.832 20 0 CFADMM C[C@@H](CNC(=O)c1ccc([O-])c(F)c1)Oc1ccccc1 ZINC000681046076 542404031 /nfs/dbraw/zinc/40/40/31/542404031.db2.gz ASTMTMPLCNYZBJ-NSHDSACASA-N -1 1 289.306 2.729 20 0 CFADMM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681050481 542404548 /nfs/dbraw/zinc/40/45/48/542404548.db2.gz IPNUEKNXIPKNDG-DOTOQJQBSA-N -1 1 285.318 2.991 20 0 CFADMM COC[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(C)o1 ZINC000681051588 542404441 /nfs/dbraw/zinc/40/44/41/542404441.db2.gz BETGFLFBBFPTCG-GFCCVEGCSA-N -1 1 293.294 2.550 20 0 CFADMM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000681054769 542405588 /nfs/dbraw/zinc/40/55/88/542405588.db2.gz BPAPPENSKRPLTC-IUODEOHRSA-N -1 1 295.354 2.712 20 0 CFADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([O-])c(F)c1)CO2 ZINC000681057152 542406010 /nfs/dbraw/zinc/40/60/10/542406010.db2.gz SEYQMUQNRRCAJH-ZDUSSCGKSA-N -1 1 287.290 2.703 20 0 CFADMM Cc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1O ZINC000681059282 542406851 /nfs/dbraw/zinc/40/68/51/542406851.db2.gz KSPHBISXFUVSSL-UHFFFAOYSA-N -1 1 261.252 2.798 20 0 CFADMM CC(C)(CNC(=O)c1ccc([O-])c(F)c1)c1ccncc1 ZINC000681066599 542407394 /nfs/dbraw/zinc/40/73/94/542407394.db2.gz PYPHYYNRDIQBMT-UHFFFAOYSA-N -1 1 288.322 2.634 20 0 CFADMM CCS(=O)(=O)[N-]c1n[nH]c(C)c1-c1cccc(Cl)c1 ZINC000681364516 542445102 /nfs/dbraw/zinc/44/51/02/542445102.db2.gz TYBWCBLZXAYOCQ-UHFFFAOYSA-N -1 1 299.783 2.800 20 0 CFADMM COc1ccc(OC)c([N-]S(=O)(=O)C2=CCCCC2)c1 ZINC000281237704 195162173 /nfs/dbraw/zinc/16/21/73/195162173.db2.gz SSVUECTZEMJTAL-UHFFFAOYSA-N -1 1 297.376 2.903 20 0 CFADMM Cc1cnc(C(=O)NC2CCC(OC(C)C)CC2)c([O-])c1 ZINC000681738795 542483017 /nfs/dbraw/zinc/48/30/17/542483017.db2.gz NRRUKESJJGUVNX-UHFFFAOYSA-N -1 1 292.379 2.562 20 0 CFADMM Cc1cnc(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)c([O-])c1 ZINC000681737328 542483061 /nfs/dbraw/zinc/48/30/61/542483061.db2.gz IWGGHENQTYLDSF-CQSZACIVSA-N -1 1 298.342 2.779 20 0 CFADMM CCc1ccc(C(=O)Nc2ccc(OC)cn2)c([O-])c1 ZINC000682504920 542560664 /nfs/dbraw/zinc/56/06/64/542560664.db2.gz CIKPKPJHCMUZDP-UHFFFAOYSA-N -1 1 272.304 2.611 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)CCC(C)C)c1 ZINC000282804070 195712684 /nfs/dbraw/zinc/71/26/84/195712684.db2.gz OHMIPKRGHQZKMP-UHFFFAOYSA-N -1 1 265.309 2.554 20 0 CFADMM CO[C@@H]1C[C@@H](N=c2[n-]c(C(F)(F)F)cs2)C12CCC2 ZINC000413436577 533530361 /nfs/dbraw/zinc/53/03/61/533530361.db2.gz GQKRVOXOHPEAJQ-VXNVDRBHSA-N -1 1 292.326 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296.208 2.840 20 0 CFADMM CCn1nc(C)cc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000683591963 542703010 /nfs/dbraw/zinc/70/30/10/542703010.db2.gz GEJUJVWPAOJVKY-UHFFFAOYSA-N -1 1 288.282 2.773 20 0 CFADMM CCC(C)(C)CCS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000683688267 542709248 /nfs/dbraw/zinc/70/92/48/542709248.db2.gz HPZBZFKNNVRDMX-UHFFFAOYSA-N -1 1 287.429 2.702 20 0 CFADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c1 ZINC000268516321 132020021 /nfs/dbraw/zinc/02/00/21/132020021.db2.gz YPNFIMAXRLFVHK-UHFFFAOYSA-N -1 1 295.339 2.535 20 0 CFADMM O=C(N[C@@H]1CCCc2c[nH]nc21)c1ccc(Cl)cc1[O-] ZINC000269009065 132099870 /nfs/dbraw/zinc/09/98/70/132099870.db2.gz GQHYOFAKGDUEBY-LLVKDONJSA-N -1 1 291.738 2.576 20 0 CFADMM CCc1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)nc1 ZINC000379120451 393550021 /nfs/dbraw/zinc/55/00/21/393550021.db2.gz LSYQQNCQHCUHAV-KRWDZBQOSA-N -1 1 296.370 2.828 20 0 CFADMM COc1cccc(CN(C)Cc2ccoc2C(=O)[O-])c1 ZINC000048894542 393607717 /nfs/dbraw/zinc/60/77/17/393607717.db2.gz 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-1 1 270.647 2.728 20 0 CFADMM Cc1ncccc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000350567570 324232645 /nfs/dbraw/zinc/23/26/45/324232645.db2.gz HUNBQUMYXJSGDR-UHFFFAOYSA-N -1 1 271.251 2.952 20 0 CFADMM COc1ccc(-c2nc(Cc3ccc(C)nc3)no2)c([O-])c1 ZINC000350579686 324236785 /nfs/dbraw/zinc/23/67/85/324236785.db2.gz XRHRWMMLPWQITR-UHFFFAOYSA-N -1 1 297.314 2.745 20 0 CFADMM Cc1noc(C)c1Cc1noc(-c2ccc([O-])cc2F)n1 ZINC000350593081 324240318 /nfs/dbraw/zinc/24/03/18/324240318.db2.gz ZQJZNVLOPWTJIY-UHFFFAOYSA-N -1 1 289.266 2.777 20 0 CFADMM CCCC(=O)NCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350818686 324263281 /nfs/dbraw/zinc/26/32/81/324263281.db2.gz XFKWZEXYAPREBC-UHFFFAOYSA-N -1 1 295.726 2.512 20 0 CFADMM CC(C)COCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350821811 324264300 /nfs/dbraw/zinc/26/43/00/324264300.db2.gz BEPQHVNOEKZCDZ-UHFFFAOYSA-N -1 1 280.299 2.796 20 0 CFADMM CO[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000378833939 324400910 /nfs/dbraw/zinc/40/09/10/324400910.db2.gz UGOSUVJDGMKCAH-INIZCTEOSA-N -1 1 285.343 2.700 20 0 CFADMM CC(C)Cn1nccc1C(=O)Nc1ccc(F)cc1[O-] ZINC000578630120 324872271 /nfs/dbraw/zinc/87/22/71/324872271.db2.gz SOXVZNZYHCDFHT-UHFFFAOYSA-N -1 1 277.299 2.636 20 0 CFADMM COC(=O)[C@H](CC(C)(C)C)Sc1ncc(C)c(=O)[n-]1 ZINC000580583699 325049381 /nfs/dbraw/zinc/04/93/81/325049381.db2.gz WHMSKUCPWZUGLI-VIFPVBQESA-N -1 1 284.381 2.561 20 0 CFADMM Cc1nccc(N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1Cl ZINC000580833710 325067775 /nfs/dbraw/zinc/06/77/75/325067775.db2.gz AWZQPXVELPZPFB-SCZZXKLOSA-N -1 1 268.744 2.590 20 0 CFADMM C[C@@H]1C[C@@H](C)N1c1ccc(=NCc2ccccc2F)[n-]n1 ZINC000580942171 325076301 /nfs/dbraw/zinc/07/63/01/325076301.db2.gz OEZPHHKKZHTGQU-VXGBXAGGSA-N -1 1 286.354 2.637 20 0 CFADMM CCc1nc(C)c(CSc2nc(CC)cc(=O)[n-]2)o1 ZINC000581053023 325086189 /nfs/dbraw/zinc/08/61/89/325086189.db2.gz KMBAVPFAHHOCFF-UHFFFAOYSA-N -1 1 279.365 2.896 20 0 CFADMM CCc1nc(SCc2cc(C(C)=O)no2)[n-]c(=O)c1C ZINC000582557810 325215317 /nfs/dbraw/zinc/21/53/17/325215317.db2.gz UPZJFLXBAGNAMZ-UHFFFAOYSA-N -1 1 293.348 2.536 20 0 CFADMM O=S(=O)([N-][C@H]1CCC[C@H](F)C1)c1cccc(F)c1F ZINC000584229180 325339077 /nfs/dbraw/zinc/33/90/77/325339077.db2.gz JQULWHGGXMHRHO-IUCAKERBSA-N -1 1 293.310 2.524 20 0 CFADMM Cc1nc(-c2cc(Cl)cc(C(=O)[O-])c2)nc2nc[nH]c21 ZINC001243323082 782137701 /nfs/dbraw/zinc/13/77/01/782137701.db2.gz NFCNTSSOYZKLDP-UHFFFAOYSA-N -1 1 288.694 2.632 20 0 CFADMM [O-]c1ccc(-c2ccc(-n3cccc3)nn2)c(F)c1F ZINC001243339291 782144426 /nfs/dbraw/zinc/14/44/26/782144426.db2.gz PTNBKAFAHIENOH-UHFFFAOYSA-N -1 1 273.242 2.918 20 0 CFADMM CN(C)c1cncc(-c2ccc([O-])c(F)c2F)c1 ZINC001243341588 782146253 /nfs/dbraw/zinc/14/62/53/782146253.db2.gz VFDYJKFPCYIHDF-UHFFFAOYSA-N -1 1 250.248 2.798 20 0 CFADMM CCOC(=O)Cc1cc(-c2ccc([O-])c(F)c2F)ccn1 ZINC001243341024 782146346 /nfs/dbraw/zinc/14/63/46/782146346.db2.gz JTVVJLMBVOBJMW-UHFFFAOYSA-N -1 1 293.269 2.838 20 0 CFADMM Cc1nc2ccc(-c3ccc([O-])c(F)c3F)cn2n1 ZINC001243342742 782147842 /nfs/dbraw/zinc/14/78/42/782147842.db2.gz RYJDJDAZQITOFD-UHFFFAOYSA-N -1 1 261.231 2.689 20 0 CFADMM O=C1NCCc2c1cccc2-c1ccc([O-])c(F)c1F ZINC001243342596 782147369 /nfs/dbraw/zinc/14/73/69/782147369.db2.gz JTSUJKLCAFRCFY-UHFFFAOYSA-N -1 1 275.254 2.623 20 0 CFADMM CN(C)c1cc(-c2ccc([O-])c(F)c2F)ccn1 ZINC001243343268 782149512 /nfs/dbraw/zinc/14/95/12/782149512.db2.gz ZKMXVLWCOHDJQB-UHFFFAOYSA-N -1 1 250.248 2.798 20 0 CFADMM O=C1CCCN1c1ccc(-c2ccc([O-])c(F)c2F)cn1 ZINC001243343143 782149535 /nfs/dbraw/zinc/14/95/35/782149535.db2.gz QNOGHZGJLQMEKX-UHFFFAOYSA-N -1 1 290.269 2.859 20 0 CFADMM CN1C(=O)NCc2c(-c3ccc([O-])c(F)c3F)cccc21 ZINC001243343930 782149560 /nfs/dbraw/zinc/14/95/60/782149560.db2.gz UWNFHEPIKGRCGX-UHFFFAOYSA-N -1 1 290.269 2.997 20 0 CFADMM CC(C)Oc1ncc(-c2ccc([O-])c(F)c2F)cn1 ZINC001243345468 782150011 /nfs/dbraw/zinc/15/00/11/782150011.db2.gz SJWAIELGCCZXPA-UHFFFAOYSA-N -1 1 266.247 2.915 20 0 CFADMM O=C1Nc2ncc(-c3ccc([O-])c(F)c3F)cc2C12CC2 ZINC001243344281 782150059 /nfs/dbraw/zinc/15/00/59/782150059.db2.gz CARCGPWRZRDFER-UHFFFAOYSA-N -1 1 288.253 2.716 20 0 CFADMM CO[C@H](C)c1nc(=NC[C@@H]2CCO[C@@H](C(C)C)C2)s[n-]1 ZINC000450736435 518118986 /nfs/dbraw/zinc/11/89/86/518118986.db2.gz IKFLEVWDHZRXLY-IJLUTSLNSA-N -1 1 299.440 2.531 20 0 CFADMM CC=CC=CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000366324935 518507341 /nfs/dbraw/zinc/50/73/41/518507341.db2.gz SLVPLOIWPKKLNO-MQQKCMAXSA-N -1 1 299.370 2.946 20 0 CFADMM CC(C)(NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000340674353 519320784 /nfs/dbraw/zinc/32/07/84/519320784.db2.gz GXEXWMRARFQPGK-UHFFFAOYSA-N -1 1 259.305 2.899 20 0 CFADMM O=C(NCCc1c[nH]c2ccccc12)c1cc(F)ccc1[O-] ZINC000176931937 534441428 /nfs/dbraw/zinc/44/14/28/534441428.db2.gz YCUHESOUSQHYEM-UHFFFAOYSA-N -1 1 298.317 2.985 20 0 CFADMM CC(C)N(Cc1cc(=O)oc2cc([O-])ccc12)CC(F)F ZINC000182483622 519653120 /nfs/dbraw/zinc/65/31/20/519653120.db2.gz FNCOSVTUQAAAJL-UHFFFAOYSA-N -1 1 297.301 2.974 20 0 CFADMM CC(C)c1nn(C)cc1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335022375 519882584 /nfs/dbraw/zinc/88/25/84/519882584.db2.gz WHHVXTZMFQKQJM-UHFFFAOYSA-N -1 1 295.289 2.780 20 0 CFADMM CCCCN(CC)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000078777122 520471453 /nfs/dbraw/zinc/47/14/53/520471453.db2.gz ZTRNVXIYVXJFEX-UHFFFAOYSA-N -1 1 293.411 2.638 20 0 CFADMM CCC[C@H](C)C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000067119400 521003151 /nfs/dbraw/zinc/00/31/51/521003151.db2.gz QMNJCFGRDVJNRL-VIFPVBQESA-N -1 1 270.402 2.574 20 0 CFADMM CC1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000334383182 521052501 /nfs/dbraw/zinc/05/25/01/521052501.db2.gz KXOSSZKXXHQLFX-UHFFFAOYSA-N -1 1 276.723 2.686 20 0 CFADMM O=C([O-])c1coc(CNCc2cccc3[nH]ccc32)c1 ZINC000426699455 534550735 /nfs/dbraw/zinc/55/07/35/534550735.db2.gz JEIKABYRNDIZBH-UHFFFAOYSA-N -1 1 270.288 2.749 20 0 CFADMM O=C([O-])c1coc(CNCc2cc3ccc(F)cc3[nH]2)c1 ZINC000426698748 534551286 /nfs/dbraw/zinc/55/12/86/534551286.db2.gz BBUAOLPPMMGKGZ-UHFFFAOYSA-N -1 1 288.278 2.888 20 0 CFADMM CCCCc1noc(CN2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC000050924326 521332380 /nfs/dbraw/zinc/33/23/80/521332380.db2.gz VJWXCRPPLWUYIZ-GFCCVEGCSA-N -1 1 295.383 2.632 20 0 CFADMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000057102622 521822585 /nfs/dbraw/zinc/82/25/85/521822585.db2.gz CQNDGQJYTBNJKJ-DTWKUNHWSA-N -1 1 277.336 2.678 20 0 CFADMM COc1cc(C(=O)N2CC=C(C)CC2)cc(Cl)c1[O-] ZINC000334904580 522065700 /nfs/dbraw/zinc/06/57/00/522065700.db2.gz WSUHDVMGQCIDBP-UHFFFAOYSA-N -1 1 281.739 2.846 20 0 CFADMM COC[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000307773463 522441469 /nfs/dbraw/zinc/44/14/69/522441469.db2.gz LBLKDEKFBXUMRP-NSHDSACASA-N -1 1 283.755 2.687 20 0 CFADMM CN(CC1(O)CCC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000335091458 522600755 /nfs/dbraw/zinc/60/07/55/522600755.db2.gz NWXYAIHEWFASLN-UHFFFAOYSA-N -1 1 285.343 2.532 20 0 CFADMM COc1cc([N-]S(=O)(=O)c2ccccc2C)ccc1F ZINC000160558817 522757130 /nfs/dbraw/zinc/75/71/30/522757130.db2.gz ZCPPXNRWPRSNMS-UHFFFAOYSA-N -1 1 295.335 2.944 20 0 CFADMM Cc1cccc(C)c1CNCc1cc(C(=O)[O-])co1 ZINC000426714678 534665843 /nfs/dbraw/zinc/66/58/43/534665843.db2.gz NVZXYYZLEMWVIN-UHFFFAOYSA-N -1 1 259.305 2.884 20 0 CFADMM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000340897210 523320682 /nfs/dbraw/zinc/32/06/82/523320682.db2.gz ZTIQLNDCLYLKRZ-MWLCHTKSSA-N -1 1 289.347 2.822 20 0 CFADMM CN(Cc1cccs1)C(=O)c1cc(F)ccc1[O-] ZINC000149016272 523445718 /nfs/dbraw/zinc/44/57/18/523445718.db2.gz SXPLILSOGIGSSS-UHFFFAOYSA-N -1 1 265.309 2.865 20 0 CFADMM CC[C@@]1(O)CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000336158117 523744700 /nfs/dbraw/zinc/74/47/00/523744700.db2.gz WDLNMECEAMBXHL-QGZVFWFLSA-N -1 1 285.343 2.532 20 0 CFADMM CO[C@H](C)c1nc(=NCCO[C@@H]2CCCC[C@H]2C)s[n-]1 ZINC000337916018 523907780 /nfs/dbraw/zinc/90/77/80/523907780.db2.gz QBZQPYQEJBMKOY-IJLUTSLNSA-N -1 1 299.440 2.675 20 0 CFADMM Cc1cccc(NC(=O)c2ccc(O)cc2[O-])c1C ZINC000192634892 534745968 /nfs/dbraw/zinc/74/59/68/534745968.db2.gz BRKIVKVCMJHKBW-UHFFFAOYSA-N -1 1 257.289 2.967 20 0 CFADMM Cn1ccc2cccc(NC(=O)c3ccc(O)cc3[O-])c21 ZINC000191576527 534775738 /nfs/dbraw/zinc/77/57/38/534775738.db2.gz JSIRRCLAVOCJBH-UHFFFAOYSA-N -1 1 282.299 2.842 20 0 CFADMM COc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1F ZINC000074983056 524699355 /nfs/dbraw/zinc/69/93/55/524699355.db2.gz RROBYZZVSFMSIR-UHFFFAOYSA-N -1 1 295.335 2.944 20 0 CFADMM C[C@H]1C[C@@H]1CNC(=O)c1ccc(Br)cc1[O-] ZINC000049450325 524843941 /nfs/dbraw/zinc/84/39/41/524843941.db2.gz AIUFPXUMMXJGIN-JGVFFNPUSA-N -1 1 284.153 2.541 20 0 CFADMM C[C@@H](C[C@@H]1CCCO1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000334086726 524847428 /nfs/dbraw/zinc/84/74/28/524847428.db2.gz FHNLHUPBLPNMDC-ONGXEEELSA-N -1 1 283.755 2.733 20 0 CFADMM C[C@H]1C[C@H](C)N1C(=O)c1cc(Br)ccc1[O-] ZINC000336157890 524893493 /nfs/dbraw/zinc/89/34/93/524893493.db2.gz GMVFICYHHKYJKX-YUMQZZPRSA-N -1 1 284.153 2.778 20 0 CFADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccnc1 ZINC000229337660 524940493 /nfs/dbraw/zinc/94/04/93/524940493.db2.gz KOKZJASDWNLDAR-UHFFFAOYSA-N -1 1 280.324 2.638 20 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-1 1 291.244 2.788 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@]2(CCOC2)C1 ZINC000335070853 526610169 /nfs/dbraw/zinc/61/01/69/526610169.db2.gz XOLBZYHQBFTNIK-OAHLLOKOSA-N -1 1 295.766 2.688 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CCOCC2(CCC2)C1 ZINC000336353596 526610653 /nfs/dbraw/zinc/61/06/53/526610653.db2.gz IZGYMUOEORDNSK-UHFFFAOYSA-N -1 1 295.766 2.688 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1C1CCOCC1 ZINC000336157638 526623311 /nfs/dbraw/zinc/62/33/11/526623311.db2.gz TZPFTVSRKSTNQX-AWEZNQCLSA-N -1 1 293.338 2.563 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CCC12CCOCC2 ZINC000364989367 526640295 /nfs/dbraw/zinc/64/02/95/526640295.db2.gz YHTGEQBJSOEMJL-UHFFFAOYSA-N -1 1 297.354 2.941 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1CCO ZINC000313717853 526640349 /nfs/dbraw/zinc/64/03/49/526640349.db2.gz JFZRNSSYNZHFCC-CQSZACIVSA-N -1 1 285.343 2.532 20 0 CFADMM CN(Cc1ccon1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436525412 536484436 /nfs/dbraw/zinc/48/44/36/536484436.db2.gz ACZOVXLNHBBSJH-UHFFFAOYSA-N -1 1 282.299 2.806 20 0 CFADMM O=C(Cc1ccc(F)cc1F)Nc1ccc(F)cc1[O-] ZINC000340331076 527234444 /nfs/dbraw/zinc/23/44/44/527234444.db2.gz OUABEGFHJIWIER-UHFFFAOYSA-N -1 1 281.233 2.991 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)C1CC(F)(F)C1 ZINC000335019510 527235186 /nfs/dbraw/zinc/23/51/86/527235186.db2.gz ZPVZHXHIQMPTAE-UHFFFAOYSA-N -1 1 263.190 2.654 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCC[C@@H](O)C1 ZINC000336159107 527235438 /nfs/dbraw/zinc/23/54/38/527235438.db2.gz HAOZVDQBQOQXFQ-WCBMZHEXSA-N -1 1 269.728 2.535 20 0 CFADMM O=S(=O)([N-][C@H]1CC=CCC1)c1cc(Cl)ccc1F ZINC000340819703 527240868 /nfs/dbraw/zinc/24/08/68/527240868.db2.gz OPJJHCABOPGNFI-JTQLQIEISA-N -1 1 289.759 2.866 20 0 CFADMM O=C(Cc1ccoc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000361386538 527311861 /nfs/dbraw/zinc/31/18/61/527311861.db2.gz LRIJYLMKIRTOQT-UHFFFAOYSA-N -1 1 283.287 2.557 20 0 CFADMM O=C(Nc1cccc(O)c1)c1c(F)ccc([O-])c1F ZINC000335015475 527363002 /nfs/dbraw/zinc/36/30/02/527363002.db2.gz BJQJPNBWEOOUID-UHFFFAOYSA-N -1 1 265.215 2.628 20 0 CFADMM O=C(Nc1ccncc1[O-])c1cccc(OC(F)(F)F)c1 ZINC000159733923 527458002 /nfs/dbraw/zinc/45/80/02/527458002.db2.gz VUGUTBYUGFGYDX-UHFFFAOYSA-N -1 1 298.220 2.938 20 0 CFADMM CC(C)OCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000168692658 527974904 /nfs/dbraw/zinc/97/49/04/527974904.db2.gz MVMHVWVXPWBPLH-UHFFFAOYSA-N -1 1 273.332 2.700 20 0 CFADMM CCC[C@H](NC(=O)[C@@H](CC)CC1CCCC1)c1nn[n-]n1 ZINC000413598741 528195000 /nfs/dbraw/zinc/19/50/00/528195000.db2.gz YYTPWSCAOYFSFC-STQMWFEESA-N -1 1 293.415 2.764 20 0 CFADMM CC(C)c1nc(=N[C@@H](C)CCCc2cccnc2)o[n-]1 ZINC000413391726 528258239 /nfs/dbraw/zinc/25/82/39/528258239.db2.gz HJCFVTXOXQTQTH-LBPRGKRZSA-N -1 1 274.368 2.833 20 0 CFADMM CCCCC[C@H](CC)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000123520396 528270984 /nfs/dbraw/zinc/27/09/84/528270984.db2.gz HBBUKVZJXNZOBY-QWHCGFSZSA-N -1 1 293.415 2.512 20 0 CFADMM CCCc1csc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)n1 ZINC000422629988 528668467 /nfs/dbraw/zinc/66/84/67/528668467.db2.gz AMRNHCCLYYDUTQ-GHMZBOCLSA-N -1 1 282.409 2.781 20 0 CFADMM CCC[C@@H](NC(=O)[C@@H](CC)CC1CCCC1)c1nn[n-]n1 ZINC000413598740 528985867 /nfs/dbraw/zinc/98/58/67/528985867.db2.gz YYTPWSCAOYFSFC-QWHCGFSZSA-N -1 1 293.415 2.764 20 0 CFADMM CC(C)[C@@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)[C@H]1C(C)C ZINC000456318644 535254528 /nfs/dbraw/zinc/25/45/28/535254528.db2.gz FSMIBZHXHDLMNF-GJZGRUSLSA-N -1 1 289.375 2.714 20 0 CFADMM CCCc1cc(C(=O)[N-]c2c(C)onc2CC)no1 ZINC000450235329 535394604 /nfs/dbraw/zinc/39/46/04/535394604.db2.gz VDUHFNOOLZRMLL-UHFFFAOYSA-N -1 1 263.297 2.738 20 0 CFADMM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000435217677 535536704 /nfs/dbraw/zinc/53/67/04/535536704.db2.gz QTVALNPSXWKOPC-BDAKNGLRSA-N -1 1 290.454 2.863 20 0 CFADMM O=C(C[C@H]1CC[C@H](C2CC2)O1)Nc1ccc(F)cc1[O-] ZINC000935101121 649875392 /nfs/dbraw/zinc/87/53/92/649875392.db2.gz UXJCZHUMHUSQHI-BXUZGUMPSA-N -1 1 279.311 2.818 20 0 CFADMM CCC[C@H](CC)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736424682 574051077 /nfs/dbraw/zinc/05/10/77/574051077.db2.gz RFNGRHZGSDHQJN-JTQLQIEISA-N -1 1 297.366 2.801 20 0 CFADMM CCC[C@H](CC)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736424682 574051078 /nfs/dbraw/zinc/05/10/78/574051078.db2.gz RFNGRHZGSDHQJN-JTQLQIEISA-N -1 1 297.366 2.801 20 0 CFADMM CCCCCC[C@H](CC)C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000736444583 574055095 /nfs/dbraw/zinc/05/50/95/574055095.db2.gz HLUFYHVKJTUFEF-STQMWFEESA-N -1 1 295.431 2.758 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)CC(C)C)c1 ZINC000744474741 574076736 /nfs/dbraw/zinc/07/67/36/574076736.db2.gz WTECUPJRKMVKDY-UHFFFAOYSA-N -1 1 264.321 2.727 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c[nH]cc2C)c1 ZINC000744848396 574090663 /nfs/dbraw/zinc/09/06/63/574090663.db2.gz BTEXKDIOOKXMCJ-UHFFFAOYSA-N -1 1 287.315 2.631 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccnc2C)c1 ZINC000744983519 574095995 /nfs/dbraw/zinc/09/59/95/574095995.db2.gz DYMYXKQYCZZHHM-UHFFFAOYSA-N -1 1 299.326 2.698 20 0 CFADMM CCN(CCC(=O)[O-])Cn1c2ccccc2oc1=S ZINC000737097296 574111216 /nfs/dbraw/zinc/11/12/16/574111216.db2.gz WDNVJVPHPFCOHF-UHFFFAOYSA-N -1 1 280.349 2.718 20 0 CFADMM O=C([O-])NC[C@@H]1CCCCN1Cc1ccc2ccccc2n1 ZINC000740623550 574132980 /nfs/dbraw/zinc/13/29/80/574132980.db2.gz NLCYBOKQJLHBKI-HNNXBMFYSA-N -1 1 299.374 2.857 20 0 CFADMM Cc1ccc2c(c1)[C@@H](Nc1cccc(-c3nnn[n-]3)n1)CC2 ZINC000737372503 574137669 /nfs/dbraw/zinc/13/76/69/574137669.db2.gz ZLRWCXXDUZUUJW-ZDUSSCGKSA-N -1 1 292.346 2.670 20 0 CFADMM Cc1ccc2c(c1)[C@@H](Nc1cccc(-c3nn[n-]n3)n1)CC2 ZINC000737372503 574137672 /nfs/dbraw/zinc/13/76/72/574137672.db2.gz ZLRWCXXDUZUUJW-ZDUSSCGKSA-N -1 1 292.346 2.670 20 0 CFADMM Clc1nsc(NCCCC2CC2)c1-c1nnn[n-]1 ZINC000737582499 574148865 /nfs/dbraw/zinc/14/88/65/574148865.db2.gz BFCNRTAIKMCPSD-UHFFFAOYSA-N -1 1 284.776 2.579 20 0 CFADMM Clc1nsc(NCCCC2CC2)c1-c1nn[n-]n1 ZINC000737582499 574148867 /nfs/dbraw/zinc/14/88/67/574148867.db2.gz BFCNRTAIKMCPSD-UHFFFAOYSA-N -1 1 284.776 2.579 20 0 CFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCCC1(C)C ZINC000738532945 574172645 /nfs/dbraw/zinc/17/26/45/574172645.db2.gz PZZSOGGJRHNFPJ-UHFFFAOYSA-N -1 1 290.363 2.506 20 0 CFADMM C[C@H](c1ccc(F)cc1F)N(C)CCCNC(=O)[O-] ZINC000739055089 574195594 /nfs/dbraw/zinc/19/55/94/574195594.db2.gz CRLVFIYOLHZFGA-SECBINFHSA-N -1 1 272.295 2.615 20 0 CFADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1cocn1 ZINC000729329868 574200375 /nfs/dbraw/zinc/20/03/75/574200375.db2.gz CZVYQQFRSUXJRG-UHFFFAOYSA-N -1 1 278.337 2.826 20 0 CFADMM CC[C@@H](NC[C@@H]1CCCN1C(=O)[O-])c1nc(C)cs1 ZINC000739274994 574204636 /nfs/dbraw/zinc/20/46/36/574204636.db2.gz YPOYOYGBOUMSRF-WDEREUQCSA-N -1 1 283.397 2.635 20 0 CFADMM CCC/C(C)=C/C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000747710701 574207838 /nfs/dbraw/zinc/20/78/38/574207838.db2.gz NZQLJULZEVBWPC-AATRIKPKSA-N -1 1 262.235 2.508 20 0 CFADMM CCCc1nc(CN[C@@](C)(CNC(=O)[O-])C(C)C)cs1 ZINC000739378203 574210999 /nfs/dbraw/zinc/21/09/99/574210999.db2.gz GUZDCHBHACSEPE-AWEZNQCLSA-N -1 1 299.440 2.868 20 0 CFADMM CN(CC1CCN(Cc2ccc(F)c(F)c2)CC1)C(=O)[O-] ZINC000739664495 574222469 /nfs/dbraw/zinc/22/24/69/574222469.db2.gz GQFJAVPQBYMHKA-UHFFFAOYSA-N -1 1 298.333 2.787 20 0 CFADMM C[N@@H+](CCCNC(=O)[O-])Cc1ccc(F)cc1Cl ZINC000739682084 574222861 /nfs/dbraw/zinc/22/28/61/574222861.db2.gz MALSEPNEHANJPE-UHFFFAOYSA-N -1 1 274.723 2.569 20 0 CFADMM CN(CCCNC(=O)[O-])Cc1ccc(F)cc1Cl ZINC000739682084 574222862 /nfs/dbraw/zinc/22/28/62/574222862.db2.gz MALSEPNEHANJPE-UHFFFAOYSA-N -1 1 274.723 2.569 20 0 CFADMM Cc1nc(CN[C@](C)(CNC(=O)[O-])CC(C)C)cs1 ZINC000740224717 574243514 /nfs/dbraw/zinc/24/35/14/574243514.db2.gz RWABEHJTVMASKZ-ZDUSSCGKSA-N -1 1 285.413 2.614 20 0 CFADMM O=C([O-])c1occc1CNC1(c2ccc(F)cc2)CC1 ZINC000740280961 574245375 /nfs/dbraw/zinc/24/53/75/574245375.db2.gz FSLCTKLRVCHZQI-UHFFFAOYSA-N -1 1 275.279 2.896 20 0 CFADMM O=C([O-])N1CCCN(CCSc2ccc(F)cc2)CC1 ZINC000740522771 574253820 /nfs/dbraw/zinc/25/38/20/574253820.db2.gz RYJNDVBSVOSRPD-UHFFFAOYSA-N -1 1 298.383 2.604 20 0 CFADMM O=C([O-])NCCN1CCC[C@H]1c1ccccc1Cl ZINC000740657458 574260803 /nfs/dbraw/zinc/26/08/03/574260803.db2.gz CFNWZCPGQAXSOQ-LBPRGKRZSA-N -1 1 268.744 2.745 20 0 CFADMM CC(C)OCCCN(C)C(=O)c1c([O-])cccc1Cl ZINC000740928775 574274611 /nfs/dbraw/zinc/27/46/11/574274611.db2.gz SUEPMRKAPCCNCP-UHFFFAOYSA-N -1 1 285.771 2.933 20 0 CFADMM O=C([O-])CCN(C/C=C/Cl)Cc1ccc(F)c(F)c1 ZINC000739724033 574276704 /nfs/dbraw/zinc/27/67/04/574276704.db2.gz DBWMHVYCFXAWHM-ORCRQEGFSA-N -1 1 289.709 2.994 20 0 CFADMM Cc1nn(C)cc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000741293401 574286055 /nfs/dbraw/zinc/28/60/55/574286055.db2.gz FQRLOGNVYVJOET-UHFFFAOYSA-N -1 1 273.336 2.810 20 0 CFADMM CCO[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)C1(CC)CC ZINC000749469289 574297109 /nfs/dbraw/zinc/29/71/09/574297109.db2.gz NHRVJICECZOVIK-BDAKNGLRSA-N -1 1 267.291 2.649 20 0 CFADMM C[C@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)[O-] ZINC000739054401 574333156 /nfs/dbraw/zinc/33/31/56/574333156.db2.gz YWYPNUDZMFDVRV-FLOXNTQESA-N -1 1 275.333 2.540 20 0 CFADMM C[C@@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)[O-] ZINC000739054399 574333384 /nfs/dbraw/zinc/33/33/84/574333384.db2.gz YWYPNUDZMFDVRV-FCZSHJHJSA-N -1 1 275.333 2.540 20 0 CFADMM CC(C)[C@@H]1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000735747744 574334849 /nfs/dbraw/zinc/33/48/49/574334849.db2.gz GTWIAVXRDAFRMP-VXGBXAGGSA-N -1 1 286.383 2.888 20 0 CFADMM CC(C)[C@@H]1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000735747744 574334851 /nfs/dbraw/zinc/33/48/51/574334851.db2.gz GTWIAVXRDAFRMP-VXGBXAGGSA-N -1 1 286.383 2.888 20 0 CFADMM C[C@@H](CCNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000735988023 574345972 /nfs/dbraw/zinc/34/59/72/574345972.db2.gz ZQKFXHNKGGQXMH-LBPRGKRZSA-N -1 1 294.362 2.867 20 0 CFADMM C[C@@H](CCNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000735988023 574345974 /nfs/dbraw/zinc/34/59/74/574345974.db2.gz ZQKFXHNKGGQXMH-LBPRGKRZSA-N -1 1 294.362 2.867 20 0 CFADMM C[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736247917 574357556 /nfs/dbraw/zinc/35/75/56/574357556.db2.gz BHPUURHDGBKRGM-RKDXNWHRSA-N -1 1 292.774 2.906 20 0 CFADMM C[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736247917 574357558 /nfs/dbraw/zinc/35/75/58/574357558.db2.gz BHPUURHDGBKRGM-RKDXNWHRSA-N -1 1 292.774 2.906 20 0 CFADMM CC(C)[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)N(C)C ZINC000736347442 574364087 /nfs/dbraw/zinc/36/40/87/574364087.db2.gz JZHOMJPWKVRHFS-GFCCVEGCSA-N -1 1 298.770 2.563 20 0 CFADMM CS[C@@H](C)CNC(=O)c1c([O-])cccc1Cl ZINC000752630459 574393209 /nfs/dbraw/zinc/39/32/09/574393209.db2.gz LGYMZIWFOBSPAB-ZETCQYMHSA-N -1 1 259.758 2.527 20 0 CFADMM C[C@H]1C[C@@H](CCNC(=O)c2c([O-])cccc2Cl)CCO1 ZINC000753152639 574399421 /nfs/dbraw/zinc/39/94/21/574399421.db2.gz YNSBACLFXZYVHN-QWRGUYRKSA-N -1 1 297.782 2.981 20 0 CFADMM CCC(CC)(CNc1cccc(-c2nnn[n-]2)n1)SC ZINC000820887646 599085522 /nfs/dbraw/zinc/08/55/22/599085522.db2.gz KLPIBVYIFLYOKT-UHFFFAOYSA-N -1 1 292.412 2.595 20 0 CFADMM CCC(CC)(CNc1cccc(-c2nn[n-]n2)n1)SC ZINC000820887646 599085525 /nfs/dbraw/zinc/08/55/25/599085525.db2.gz KLPIBVYIFLYOKT-UHFFFAOYSA-N -1 1 292.412 2.595 20 0 CFADMM O=C([O-])CCC1CCN(Cc2cccc(Cl)n2)CC1 ZINC000833225925 601841439 /nfs/dbraw/zinc/84/14/39/601841439.db2.gz UNIFSCVKSHZWAQ-UHFFFAOYSA-N -1 1 282.771 2.812 20 0 CFADMM CCC[C@]1(C)CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000821028724 599110642 /nfs/dbraw/zinc/11/06/42/599110642.db2.gz YJKXFRBJPYNQKB-OAHLLOKOSA-N -1 1 286.383 2.668 20 0 CFADMM CCC[C@]1(C)CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000821028724 599110644 /nfs/dbraw/zinc/11/06/44/599110644.db2.gz YJKXFRBJPYNQKB-OAHLLOKOSA-N -1 1 286.383 2.668 20 0 CFADMM COc1c(C)ccc(NCc2ccc(-c3nnn[n-]3)o2)c1C ZINC000821698396 607308132 /nfs/dbraw/zinc/30/81/32/607308132.db2.gz IHVXGPAIKLCOQX-UHFFFAOYSA-N -1 1 299.334 2.697 20 0 CFADMM COc1c(C)ccc(NCc2ccc(-c3nn[n-]n3)o2)c1C ZINC000821698396 607308133 /nfs/dbraw/zinc/30/81/33/607308133.db2.gz IHVXGPAIKLCOQX-UHFFFAOYSA-N -1 1 299.334 2.697 20 0 CFADMM CCO[C@@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000901550748 620861866 /nfs/dbraw/zinc/86/18/66/620861866.db2.gz ZBDYEBNVOXNNRH-RXMQYKEDSA-N -1 1 250.270 2.594 20 0 CFADMM O=C([O-])C[C@H]1CCCN(Cc2ccc(Cl)o2)C1 ZINC000257671398 598151232 /nfs/dbraw/zinc/15/12/32/598151232.db2.gz MHILHMSHYNAFEF-SECBINFHSA-N -1 1 257.717 2.620 20 0 CFADMM Cc1nc2ccc(NC(=O)c3ccc(C(=O)[O-])cc3)cc2[nH]1 ZINC000821182538 598154254 /nfs/dbraw/zinc/15/42/54/598154254.db2.gz ZIKVMFNPRVVYNZ-UHFFFAOYSA-N -1 1 295.298 2.822 20 0 CFADMM COc1ccccc1[C@@H](N[C@@H](C)CC(=O)[O-])c1ccco1 ZINC000820876273 598217263 /nfs/dbraw/zinc/21/72/63/598217263.db2.gz AMYLQEVHAXINPV-MEDUHNTESA-N -1 1 289.331 2.830 20 0 CFADMM CC(C)CN(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820081844 599500020 /nfs/dbraw/zinc/50/00/20/599500020.db2.gz YEJMUUMADNKHFV-UHFFFAOYSA-N -1 1 282.351 2.507 20 0 CFADMM CC(C)CN(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820081844 599500023 /nfs/dbraw/zinc/50/00/23/599500023.db2.gz YEJMUUMADNKHFV-UHFFFAOYSA-N -1 1 282.351 2.507 20 0 CFADMM CN(CC(C)(C)C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821593951 599518106 /nfs/dbraw/zinc/51/81/06/599518106.db2.gz RJGVCZKXJPDWBS-UHFFFAOYSA-N -1 1 296.378 2.897 20 0 CFADMM CN(CC(C)(C)C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821593951 599518107 /nfs/dbraw/zinc/51/81/07/599518107.db2.gz RJGVCZKXJPDWBS-UHFFFAOYSA-N -1 1 296.378 2.897 20 0 CFADMM CCC(C)(C)CCOC(=O)c1sccc1-c1nn[n-]n1 ZINC000820847792 599627895 /nfs/dbraw/zinc/62/78/95/599627895.db2.gz MAIJITNVQBWQTQ-UHFFFAOYSA-N -1 1 294.380 2.911 20 0 CFADMM Cc1ncsc1CN(C)Cc1cccc(C(=O)[O-])c1 ZINC000070074468 599928642 /nfs/dbraw/zinc/92/86/42/599928642.db2.gz HIJHVQZUBHFSBF-UHFFFAOYSA-N -1 1 276.361 2.782 20 0 CFADMM O=C([O-])c1ccc(CNCC2=Cc3ccccc3OC2)o1 ZINC000740133060 600525382 /nfs/dbraw/zinc/52/53/82/600525382.db2.gz SWDUVIINOBQUAP-UHFFFAOYSA-N -1 1 285.299 2.543 20 0 CFADMM COc1ccc(CNCc2ccc(C(=O)[O-])o2)cc1Cl ZINC000718920303 600809485 /nfs/dbraw/zinc/80/94/85/600809485.db2.gz XWRYKPUJNODFNN-UHFFFAOYSA-N -1 1 295.722 2.930 20 0 CFADMM O=C([O-])c1ccoc1CN1CC[C@@H]1c1ccccc1 ZINC000833334034 601009020 /nfs/dbraw/zinc/00/90/20/601009020.db2.gz LXKDTKJCKXUJDD-CYBMUJFWSA-N -1 1 257.289 2.925 20 0 CFADMM C/C(=C\CN(Cc1ccccc1F)C1CC1)C(=O)[O-] ZINC000825730545 601048188 /nfs/dbraw/zinc/04/81/88/601048188.db2.gz YVEYFVUVPPYVFY-DHZHZOJOSA-N -1 1 263.312 2.821 20 0 CFADMM C/C(=C\CN(C)Cc1ccc(Br)o1)C(=O)[O-] ZINC000825730477 601050101 /nfs/dbraw/zinc/05/01/01/601050101.db2.gz XEKPTUFAGQBMNX-VMPITWQZSA-N -1 1 288.141 2.505 20 0 CFADMM Cc1[nH]c(C(=O)CN2C[C@@H](C)CC2(C)C)c(C)c1C(=O)[O-] ZINC000832843276 601120798 /nfs/dbraw/zinc/12/07/98/601120798.db2.gz BNHZWBVZUDTSSW-VIFPVBQESA-N -1 1 292.379 2.633 20 0 CFADMM CC[C@@](C)(NC/C=C(/C)C(=O)[O-])c1nc(C)cs1 ZINC000828692354 601179325 /nfs/dbraw/zinc/17/93/25/601179325.db2.gz IKOTZJNFKPCXOU-OYVUYXNMSA-N -1 1 268.382 2.697 20 0 CFADMM CC(C)c1ccc(CN2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000827124028 601440881 /nfs/dbraw/zinc/44/08/81/601440881.db2.gz GPECRQMVMLIGAX-OAHLLOKOSA-N -1 1 265.328 2.809 20 0 CFADMM C[C@H]1CN(Cc2c(F)cccc2Cl)C[C@H]1C(=O)[O-] ZINC000251729385 601520511 /nfs/dbraw/zinc/52/05/11/601520511.db2.gz KGDDHFBNMFWIEO-DTWKUNHWSA-N -1 1 271.719 2.632 20 0 CFADMM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@@H](C)[C@H]2C)c(C)c1C(=O)[O-] ZINC000832843681 601567074 /nfs/dbraw/zinc/56/70/74/601567074.db2.gz ZJKHWDWSGMHVFI-FXAINCCUSA-N -1 1 292.379 2.631 20 0 CFADMM CC(C)CCSCc1ccnc(-c2nnn[n-]2)c1 ZINC000824249139 607533428 /nfs/dbraw/zinc/53/34/28/607533428.db2.gz HTQMOAQXEVJJHJ-UHFFFAOYSA-N -1 1 263.370 2.541 20 0 CFADMM CC(C)CCSCc1ccnc(-c2nn[n-]n2)c1 ZINC000824249139 607533429 /nfs/dbraw/zinc/53/34/29/607533429.db2.gz HTQMOAQXEVJJHJ-UHFFFAOYSA-N -1 1 263.370 2.541 20 0 CFADMM c1cc(CSC2CCCCC2)cc(-c2nnn[n-]2)n1 ZINC000095184245 607539762 /nfs/dbraw/zinc/53/97/62/607539762.db2.gz KDJPVVDRYFJZPP-UHFFFAOYSA-N -1 1 275.381 2.828 20 0 CFADMM c1cc(CSC2CCCCC2)cc(-c2nn[n-]n2)n1 ZINC000095184245 607539764 /nfs/dbraw/zinc/53/97/64/607539764.db2.gz KDJPVVDRYFJZPP-UHFFFAOYSA-N -1 1 275.381 2.828 20 0 CFADMM O=C([O-])CN(C/C(Cl)=C/Cl)C1CCCC1 ZINC000086000644 602050520 /nfs/dbraw/zinc/05/05/20/602050520.db2.gz IFAOWQSAPHSIFZ-YVMONPNESA-N -1 1 252.141 2.635 20 0 CFADMM COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)c(F)c1 ZINC000228613000 602146080 /nfs/dbraw/zinc/14/60/80/602146080.db2.gz NISFTABNLOXNBZ-HNNXBMFYSA-N -1 1 289.306 2.750 20 0 CFADMM C[C@H](CCSc1ccccc1)N1CCN(C(=O)[O-])CC1 ZINC000827421841 602262348 /nfs/dbraw/zinc/26/23/48/602262348.db2.gz BLHHRBBHCURJME-CYBMUJFWSA-N -1 1 294.420 2.853 20 0 CFADMM CCC(CC)c1cc(CNC[C@@H]2CCCN2C(=O)[O-])on1 ZINC000826576721 603166283 /nfs/dbraw/zinc/16/62/83/603166283.db2.gz ZLHRBKBASBVGLO-LBPRGKRZSA-N -1 1 295.383 2.810 20 0 CFADMM CCN(CC1CCN(Cc2cnc(C)s2)CC1)C(=O)[O-] ZINC000827098450 603508125 /nfs/dbraw/zinc/50/81/25/603508125.db2.gz ANWARFCZLKTDRN-UHFFFAOYSA-N -1 1 297.424 2.663 20 0 CFADMM CC(C)(CNc1ccnc2cc(F)ccc21)NC(=O)[O-] ZINC000824011376 603521157 /nfs/dbraw/zinc/52/11/57/603521157.db2.gz JMULTDSKYQDRQT-UHFFFAOYSA-N -1 1 277.299 2.832 20 0 CFADMM Cc1nc(CN(C)C2CCC(NC(=O)[O-])CC2)sc1C ZINC000830745583 603527004 /nfs/dbraw/zinc/52/70/04/603527004.db2.gz BKBIAUFTNRCKQX-UHFFFAOYSA-N -1 1 297.424 2.771 20 0 CFADMM Cc1cc(CNCc2ccc(NC(=O)[O-])nc2)ccc1F ZINC000830041943 603533219 /nfs/dbraw/zinc/53/32/19/603533219.db2.gz VLIIYYHOWZSRTQ-UHFFFAOYSA-N -1 1 289.310 2.909 20 0 CFADMM c1ccc(CCSCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826521364 607653769 /nfs/dbraw/zinc/65/37/69/607653769.db2.gz JRHFYCBQSMZBPA-UHFFFAOYSA-N -1 1 297.387 2.738 20 0 CFADMM c1ccc(CCSCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826521364 607653771 /nfs/dbraw/zinc/65/37/71/607653771.db2.gz JRHFYCBQSMZBPA-UHFFFAOYSA-N -1 1 297.387 2.738 20 0 CFADMM C[C@H](c1cccc(F)c1)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825631497 603794888 /nfs/dbraw/zinc/79/48/88/603794888.db2.gz YYIZPPXXNDAVDF-ZWNOBZJWSA-N -1 1 266.316 2.571 20 0 CFADMM C[C@@H]1CCC[C@@H](CNC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900347626 620665465 /nfs/dbraw/zinc/66/54/65/620665465.db2.gz YMONUPBJISUPKM-GHMZBOCLSA-N -1 1 289.379 2.616 20 0 CFADMM CN(C[C@H]1CCCN(Cc2ccc(F)cc2F)C1)C(=O)[O-] ZINC000828181374 603964343 /nfs/dbraw/zinc/96/43/43/603964343.db2.gz SJEWKOAZUVKXFS-LLVKDONJSA-N -1 1 298.333 2.787 20 0 CFADMM O=C([O-])NC[C@@H]1CCCN1Cc1ccccc1Cl ZINC000832573505 604083460 /nfs/dbraw/zinc/08/34/60/604083460.db2.gz PDDOKGQQGTVLMW-NSHDSACASA-N -1 1 268.744 2.572 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000825265458 604169569 /nfs/dbraw/zinc/16/95/69/604169569.db2.gz RXIRZHAMRVQEEJ-PWSUYJOCSA-N -1 1 298.333 2.833 20 0 CFADMM C[C@@H](N[C@H]1CCCCN(C(=O)[O-])C1)c1cccnc1Cl ZINC000825478166 604320855 /nfs/dbraw/zinc/32/08/55/604320855.db2.gz FKAACKLSTGKGII-MNOVXSKESA-N -1 1 297.786 2.918 20 0 CFADMM C[C@H](Oc1ccc(CN(C)Cc2ccoc2)cc1)C(=O)[O-] ZINC000833537536 604602667 /nfs/dbraw/zinc/60/26/67/604602667.db2.gz KVGBHYWKYGGTFY-LBPRGKRZSA-N -1 1 289.331 2.764 20 0 CFADMM CCn1cc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2)n1 ZINC000901711630 620904263 /nfs/dbraw/zinc/90/42/63/620904263.db2.gz AWIQJESYSPMMKY-UHFFFAOYSA-N -1 1 299.783 2.666 20 0 CFADMM Cc1nc([C@H](C)N[C@@H]2CCCN(C(=O)[O-])C2)c(C)s1 ZINC000832994276 604793094 /nfs/dbraw/zinc/79/30/94/604793094.db2.gz OZOJWIHSPCZSJY-GZMMTYOYSA-N -1 1 283.397 2.553 20 0 CFADMM CC1=C(C(=O)[O-])C[C@H](CN(C)Cc2ccccc2Cl)O1 ZINC000833582878 604822121 /nfs/dbraw/zinc/82/21/21/604822121.db2.gz IEGZMBNPTKMXFV-GFCCVEGCSA-N -1 1 295.766 2.919 20 0 CFADMM C[C@@H]1CC/C(=C/C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)C1 ZINC000833601848 605059324 /nfs/dbraw/zinc/05/93/24/605059324.db2.gz NQFNMXZYIAOIRF-URLRMUCDSA-N -1 1 299.330 2.946 20 0 CFADMM COc1ccc2nc(S[C@H](C(=O)[O-])C3CC3)[nH]c2c1 ZINC000088794199 605069974 /nfs/dbraw/zinc/06/99/74/605069974.db2.gz USWPNGYLVHUMHG-NSHDSACASA-N -1 1 278.333 2.527 20 0 CFADMM CC(C)(CC(=O)[O-])NCc1nc(C(F)(F)F)cs1 ZINC000833455900 605076604 /nfs/dbraw/zinc/07/66/04/605076604.db2.gz DXFDHGYDZQFPLS-UHFFFAOYSA-N -1 1 282.287 2.505 20 0 CFADMM COC(C)(C)CN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833718599 605359598 /nfs/dbraw/zinc/35/95/98/605359598.db2.gz NYULOOSKWUBBBP-LLVKDONJSA-N -1 1 289.734 2.619 20 0 CFADMM O=C([O-])NCC1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000834225117 605488722 /nfs/dbraw/zinc/48/87/22/605488722.db2.gz GKDAXQSDQHTLEP-UHFFFAOYSA-N -1 1 295.408 2.500 20 0 CFADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000833816560 605598609 /nfs/dbraw/zinc/59/86/09/605598609.db2.gz ZTUUVAZETCWSJO-JQWIXIFHSA-N -1 1 298.333 2.833 20 0 CFADMM C[C@H](CN(Cc1c(F)cccc1F)C1CC1)C(=O)[O-] ZINC000833516547 605675637 /nfs/dbraw/zinc/67/56/37/605675637.db2.gz OXSOMTWWJPRNPR-SECBINFHSA-N -1 1 269.291 2.650 20 0 CFADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833603526 605730892 /nfs/dbraw/zinc/73/08/92/605730892.db2.gz BNMCEZSMLWGPJL-PSASIEDQSA-N -1 1 290.285 2.876 20 0 CFADMM O=C([O-])N[C@H]1C[C@H](NCc2cccnc2)c2ccccc21 ZINC000834157774 605787454 /nfs/dbraw/zinc/78/74/54/605787454.db2.gz JZMYUMGYZMZUQW-GJZGRUSLSA-N -1 1 283.331 2.625 20 0 CFADMM O=C([O-])N[C@@H]1C[C@H](NCc2cccc(O)c2)c2ccccc21 ZINC000834159516 605798497 /nfs/dbraw/zinc/79/84/97/605798497.db2.gz UMNNFXFTEQIWRC-JKSUJKDBSA-N -1 1 298.342 2.936 20 0 CFADMM CC1(C)CCC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820596520 606104654 /nfs/dbraw/zinc/10/46/54/606104654.db2.gz QJDLZUZEBIJHFM-ZCFIWIBFSA-N -1 1 298.803 2.967 20 0 CFADMM CC1(C)CCC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820596520 606104655 /nfs/dbraw/zinc/10/46/55/606104655.db2.gz QJDLZUZEBIJHFM-ZCFIWIBFSA-N -1 1 298.803 2.967 20 0 CFADMM CC(C)C[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820057392 606177019 /nfs/dbraw/zinc/17/70/19/606177019.db2.gz ZOUAGBQMRGENJN-MRVPVSSYSA-N -1 1 280.353 2.520 20 0 CFADMM CC(C)C[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820057392 606177020 /nfs/dbraw/zinc/17/70/20/606177020.db2.gz ZOUAGBQMRGENJN-MRVPVSSYSA-N -1 1 280.353 2.520 20 0 CFADMM CCC[C@@H]1C[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821040917 606420085 /nfs/dbraw/zinc/42/00/85/606420085.db2.gz VINREKAGOQNRIB-VXNVDRBHSA-N -1 1 278.747 2.516 20 0 CFADMM CCC[C@@H]1C[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821040917 606420087 /nfs/dbraw/zinc/42/00/87/606420087.db2.gz VINREKAGOQNRIB-VXNVDRBHSA-N -1 1 278.747 2.516 20 0 CFADMM CCC[C@H]1C[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821040915 606420145 /nfs/dbraw/zinc/42/01/45/606420145.db2.gz VINREKAGOQNRIB-CBAPKCEASA-N -1 1 278.747 2.516 20 0 CFADMM CCC[C@H]1C[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821040915 606420146 /nfs/dbraw/zinc/42/01/46/606420146.db2.gz VINREKAGOQNRIB-CBAPKCEASA-N -1 1 278.747 2.516 20 0 CFADMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)[C@H]1C ZINC000820728143 606423988 /nfs/dbraw/zinc/42/39/88/606423988.db2.gz UDQCEWITVFKJII-QWRGUYRKSA-N -1 1 294.362 2.650 20 0 CFADMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)[C@H]1C ZINC000820728143 606423990 /nfs/dbraw/zinc/42/39/90/606423990.db2.gz UDQCEWITVFKJII-QWRGUYRKSA-N -1 1 294.362 2.650 20 0 CFADMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)[C@H]1C ZINC000820728141 606424146 /nfs/dbraw/zinc/42/41/46/606424146.db2.gz UDQCEWITVFKJII-MNOVXSKESA-N -1 1 294.362 2.650 20 0 CFADMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)[C@H]1C ZINC000820728141 606424148 /nfs/dbraw/zinc/42/41/48/606424148.db2.gz UDQCEWITVFKJII-MNOVXSKESA-N -1 1 294.362 2.650 20 0 CFADMM CC[C@@H](C)[C@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820859360 606460344 /nfs/dbraw/zinc/46/03/44/606460344.db2.gz DLQWIQPDTTZAFT-SFYZADRCSA-N -1 1 280.763 2.762 20 0 CFADMM CC[C@@H](C)[C@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820859360 606460346 /nfs/dbraw/zinc/46/03/46/606460346.db2.gz DLQWIQPDTTZAFT-SFYZADRCSA-N -1 1 280.763 2.762 20 0 CFADMM C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC000820778974 606470560 /nfs/dbraw/zinc/47/05/60/606470560.db2.gz ZNOCRWKYMFMHHE-MRVPVSSYSA-N -1 1 292.774 2.540 20 0 CFADMM C[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC000820778974 606470561 /nfs/dbraw/zinc/47/05/61/606470561.db2.gz ZNOCRWKYMFMHHE-MRVPVSSYSA-N -1 1 292.774 2.540 20 0 CFADMM CC[C@@H](C)CN(CC)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820870084 606470565 /nfs/dbraw/zinc/47/05/65/606470565.db2.gz MPNGONJLBNRNNJ-SECBINFHSA-N -1 1 294.790 2.788 20 0 CFADMM CC[C@@H](C)CN(CC)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820870084 606470567 /nfs/dbraw/zinc/47/05/67/606470567.db2.gz MPNGONJLBNRNNJ-SECBINFHSA-N -1 1 294.790 2.788 20 0 CFADMM CC(C)C1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000820033580 606608573 /nfs/dbraw/zinc/60/85/73/606608573.db2.gz XDGQKPBJOPFZMU-UHFFFAOYSA-N -1 1 292.774 2.763 20 0 CFADMM CC(C)C1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000820033580 606608575 /nfs/dbraw/zinc/60/85/75/606608575.db2.gz XDGQKPBJOPFZMU-UHFFFAOYSA-N -1 1 292.774 2.763 20 0 CFADMM Cc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000822206033 606640261 /nfs/dbraw/zinc/64/02/61/606640261.db2.gz RMPUUYAFDAEJNC-UHFFFAOYSA-N -1 1 289.339 2.988 20 0 CFADMM CC(C)C[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000820068492 607043494 /nfs/dbraw/zinc/04/34/94/607043494.db2.gz QWEZHVMMLCTVQX-LBPRGKRZSA-N -1 1 286.383 2.524 20 0 CFADMM CC(C)C[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000820068492 607043496 /nfs/dbraw/zinc/04/34/96/607043496.db2.gz QWEZHVMMLCTVQX-LBPRGKRZSA-N -1 1 286.383 2.524 20 0 CFADMM CC(C)(C)CC(C)(C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000095196492 607901204 /nfs/dbraw/zinc/90/12/04/607901204.db2.gz WBORPOYJVQBLOK-UHFFFAOYSA-N -1 1 274.372 2.888 20 0 CFADMM CC(C)(C)CC(C)(C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000095196492 607901205 /nfs/dbraw/zinc/90/12/05/607901205.db2.gz WBORPOYJVQBLOK-UHFFFAOYSA-N -1 1 274.372 2.888 20 0 CFADMM CCC[C@H]1[C@@H](C)CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000825252110 607901498 /nfs/dbraw/zinc/90/14/98/607901498.db2.gz GEQCNUQKBVXZAS-AAEUAGOBSA-N -1 1 286.383 2.667 20 0 CFADMM CCC[C@H]1[C@@H](C)CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000825252110 607901499 /nfs/dbraw/zinc/90/14/99/607901499.db2.gz GEQCNUQKBVXZAS-AAEUAGOBSA-N -1 1 286.383 2.667 20 0 CFADMM Cc1cc(NCc2ccc(-c3nnn[n-]3)o2)ccc1F ZINC000826271067 608027425 /nfs/dbraw/zinc/02/74/25/608027425.db2.gz AOZBFPHJMOGFJF-UHFFFAOYSA-N -1 1 273.271 2.519 20 0 CFADMM Cc1cc(NCc2ccc(-c3nn[n-]n3)o2)ccc1F ZINC000826271067 608027426 /nfs/dbraw/zinc/02/74/26/608027426.db2.gz AOZBFPHJMOGFJF-UHFFFAOYSA-N -1 1 273.271 2.519 20 0 CFADMM Fc1cc(Oc2cccc(-c3nnn[n-]3)n2)ccc1Cl ZINC000826372569 608053412 /nfs/dbraw/zinc/05/34/12/608053412.db2.gz CPSLMMBWSFZKDV-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM Fc1cc(Oc2cccc(-c3nn[n-]n3)n2)ccc1Cl ZINC000826372569 608053413 /nfs/dbraw/zinc/05/34/13/608053413.db2.gz CPSLMMBWSFZKDV-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM CC(C)CC(CC(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824229092 608413460 /nfs/dbraw/zinc/41/34/60/608413460.db2.gz NLVPQSUMWZEWKM-UHFFFAOYSA-N -1 1 289.387 2.529 20 0 CFADMM CC(C)CC(CC(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824229092 608413462 /nfs/dbraw/zinc/41/34/62/608413462.db2.gz NLVPQSUMWZEWKM-UHFFFAOYSA-N -1 1 289.387 2.529 20 0 CFADMM C[C@@H](Sc1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC000824754540 608421151 /nfs/dbraw/zinc/42/11/51/608421151.db2.gz IKOJWXJGLCHJJH-SSDOTTSWSA-N -1 1 290.377 2.572 20 0 CFADMM C[C@@H](Sc1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC000824754540 608421153 /nfs/dbraw/zinc/42/11/53/608421153.db2.gz IKOJWXJGLCHJJH-SSDOTTSWSA-N -1 1 290.377 2.572 20 0 CFADMM CCCC[C@@H](CCC)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825261368 608430476 /nfs/dbraw/zinc/43/04/76/608430476.db2.gz XXVLCDFXIVECBS-LLVKDONJSA-N -1 1 289.387 2.675 20 0 CFADMM CCCC[C@@H](CCC)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825261368 608430477 /nfs/dbraw/zinc/43/04/77/608430477.db2.gz XXVLCDFXIVECBS-LLVKDONJSA-N -1 1 289.387 2.675 20 0 CFADMM CCN(CC1CC1)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900673722 620700736 /nfs/dbraw/zinc/70/07/36/620700736.db2.gz GBMNLSRGKPEWCX-UHFFFAOYSA-N -1 1 288.322 2.952 20 0 CFADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1C2CCCC1CCC2 ZINC000900849141 620721076 /nfs/dbraw/zinc/72/10/76/620721076.db2.gz PTWZVFGOEHJCTM-UHFFFAOYSA-N -1 1 287.363 2.607 20 0 CFADMM C[C@@H]1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)[C@@H]1C ZINC000900947283 620730869 /nfs/dbraw/zinc/73/08/69/620730869.db2.gz SFYBMHNEUMQJHR-NXEZZACHSA-N -1 1 288.322 2.950 20 0 CFADMM CSc1ccncc1[N-]C(=O)c1cnc(C2CC2)o1 ZINC000900968848 620734238 /nfs/dbraw/zinc/73/42/38/620734238.db2.gz DDPMPKFUGJUUDZ-UHFFFAOYSA-N -1 1 275.333 2.921 20 0 CFADMM CC1(C)CC[N@@H+](CCNc2ncc(C(=O)[O-])cc2Cl)C1 ZINC000900976955 620736338 /nfs/dbraw/zinc/73/63/38/620736338.db2.gz OMVPHMMBKKJIMY-UHFFFAOYSA-N -1 1 297.786 2.577 20 0 CFADMM C[C@H]1[C@H](C(F)(F)F)CCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858522319 617624250 /nfs/dbraw/zinc/62/42/50/617624250.db2.gz YNXIRMLBHVCGKT-NTSWFWBYSA-N -1 1 281.665 2.613 20 0 CFADMM COCc1nc(N[C@H](C)c2ccccc2OC)cc(=O)[n-]1 ZINC000891483691 617631494 /nfs/dbraw/zinc/63/14/94/617631494.db2.gz WYRQGOAGDYALQS-SNVBAGLBSA-N -1 1 289.335 2.510 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(=O)C[C@H]1C1CC1 ZINC000891772953 617744742 /nfs/dbraw/zinc/74/47/42/617744742.db2.gz QYWWHBWPQSYVRA-ZDUSSCGKSA-N -1 1 293.750 2.629 20 0 CFADMM CCc1ccc(CNc2cc(=O)[n-]c(COC)n2)s1 ZINC000891832426 617777423 /nfs/dbraw/zinc/77/74/23/617777423.db2.gz IZALQMPMXMQXHH-UHFFFAOYSA-N -1 1 279.365 2.565 20 0 CFADMM COCc1nc(N2CCC[C@@H]2c2ccsc2)cc(=O)[n-]1 ZINC000891841618 617781516 /nfs/dbraw/zinc/78/15/16/617781516.db2.gz DJQKQMLBFFNIME-LLVKDONJSA-N -1 1 291.376 2.732 20 0 CFADMM CCC/C=C/[C@H](O)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000901163560 620760023 /nfs/dbraw/zinc/76/00/23/620760023.db2.gz VVPJQOSBEWTJQG-ITKZLYELSA-N -1 1 269.728 2.701 20 0 CFADMM COCc1nc(NCc2ccc(SC)cc2)cc(=O)[n-]1 ZINC000891978844 617900856 /nfs/dbraw/zinc/90/08/56/617900856.db2.gz MQLSERSLEQPAQH-UHFFFAOYSA-N -1 1 291.376 2.663 20 0 CFADMM CC(C)[S@](C)(=O)=NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000926049115 617964893 /nfs/dbraw/zinc/96/48/93/617964893.db2.gz ZVAHPVSEUKUGOG-SFHVURJKSA-N -1 1 289.784 2.621 20 0 CFADMM COCc1nc(N[C@H]2CCc3c2cccc3C)cc(=O)[n-]1 ZINC000892338916 618160958 /nfs/dbraw/zinc/16/09/58/618160958.db2.gz DBEYGFDKQZIRMK-ZDUSSCGKSA-N -1 1 285.347 2.736 20 0 CFADMM Cc1cc(C)c(CC(=O)[N-]OC2CCCC2)s1 ZINC000901331012 620786703 /nfs/dbraw/zinc/78/67/03/620786703.db2.gz VGIOFSTVVJJWIY-UHFFFAOYSA-N -1 1 253.367 2.898 20 0 CFADMM CCc1cc(O)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC000191094270 618395791 /nfs/dbraw/zinc/39/57/91/618395791.db2.gz QYOGEWOPGUJRGK-UHFFFAOYSA-N -1 1 273.288 2.618 20 0 CFADMM CCO[C@@H]1CCCN(Cc2cc(C(=O)[O-])c(CC)o2)C1 ZINC000901415994 620812005 /nfs/dbraw/zinc/81/20/05/620812005.db2.gz QAIUVLADFQIINP-LLVKDONJSA-N -1 1 281.352 2.541 20 0 CFADMM COC(=O)c1cccc2nc(NC(=O)C=C(C)C3CC3)[nH]c21 ZINC000179038148 618516289 /nfs/dbraw/zinc/51/62/89/618516289.db2.gz ITJBJSLNBUVALC-CMDGGOBGSA-N -1 1 299.330 2.644 20 0 CFADMM COCc1nc(NCC(C)(C)c2cccs2)cc(=O)[n-]1 ZINC000892534814 618616030 /nfs/dbraw/zinc/61/60/30/618616030.db2.gz XOSPFMODEPMBJQ-UHFFFAOYSA-N -1 1 293.392 2.780 20 0 CFADMM CCC[C@H](C)CC(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066639923 618633035 /nfs/dbraw/zinc/63/30/35/618633035.db2.gz BKKFYFSJIFYXDJ-JTQLQIEISA-N -1 1 284.429 2.964 20 0 CFADMM N#Cc1ccc(NNC(=O)c2ccccc2[O-])cc1Cl ZINC000182348709 625289927 /nfs/dbraw/zinc/28/99/27/625289927.db2.gz KZHRIGJYNXGGLH-UHFFFAOYSA-N -1 1 287.706 2.674 20 0 CFADMM CCCCC[C@H](CC)C(=O)N[C@H](CCC)c1nn[n-]n1 ZINC000181220592 618874436 /nfs/dbraw/zinc/87/44/36/618874436.db2.gz MMLLVDSCTWFGMN-NWDGAFQWSA-N -1 1 281.404 2.764 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])C(C1CC1)C1CC1 ZINC000194581165 618937765 /nfs/dbraw/zinc/93/77/65/618937765.db2.gz IABJVXXZNDXPIC-UHFFFAOYSA-N -1 1 266.728 2.815 20 0 CFADMM COc1cccc([C@@H](C)C(=O)[N-]OCCC(F)(F)F)c1 ZINC000162753461 618942822 /nfs/dbraw/zinc/94/28/22/618942822.db2.gz QLNKLECWOLGUDZ-SECBINFHSA-N -1 1 291.269 2.799 20 0 CFADMM Cc1cc(CNCc2cccs2)oc1C(=O)[O-] ZINC000232448125 619177970 /nfs/dbraw/zinc/17/79/70/619177970.db2.gz JJUZSPGAZGOVSJ-UHFFFAOYSA-N -1 1 251.307 2.638 20 0 CFADMM CCC(C)(C)NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932044780 619183789 /nfs/dbraw/zinc/18/37/89/619183789.db2.gz JPQBRGMKQRVLBB-UHFFFAOYSA-N -1 1 288.351 2.888 20 0 CFADMM Cc1ccc(CNCc2ccc(C(=O)[O-])s2)o1 ZINC000235886665 619193741 /nfs/dbraw/zinc/19/37/41/619193741.db2.gz XHFMHQMZVSLGIM-UHFFFAOYSA-N -1 1 251.307 2.638 20 0 CFADMM O=C(NCCCOCC1CC1)c1c([O-])cccc1Cl ZINC000049088710 619520707 /nfs/dbraw/zinc/52/07/07/619520707.db2.gz IAJUJIPTYYYBGQ-UHFFFAOYSA-N -1 1 283.755 2.592 20 0 CFADMM O=C(Nc1ccc(Cl)cc1[O-])c1cncc(Cl)n1 ZINC000192374150 619580292 /nfs/dbraw/zinc/58/02/92/619580292.db2.gz AVYNXWFVJKDACB-UHFFFAOYSA-N -1 1 284.102 2.741 20 0 CFADMM [O-]c1cccc(CNCc2nc(C(F)F)no2)c1Cl ZINC000895725374 619591921 /nfs/dbraw/zinc/59/19/21/619591921.db2.gz LGJDMLSZDHSHSH-UHFFFAOYSA-N -1 1 289.669 2.656 20 0 CFADMM CO[C@](C)([C@@H](C)NC(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000840510942 619655637 /nfs/dbraw/zinc/65/56/37/619655637.db2.gz QVVAMRHHUVFPHX-RFAUZJTJSA-N -1 1 297.782 2.979 20 0 CFADMM C[C@@H]1C[C@H](Nc2cc(Cl)[n-]c(=O)n2)CCS1 ZINC000896247559 619700895 /nfs/dbraw/zinc/70/08/95/619700895.db2.gz REHLQFVKXSBABR-RNFRBKRXSA-N -1 1 259.762 2.532 20 0 CFADMM O=C(N[C@@H](c1ccccn1)C1CC1)c1c([O-])cccc1F ZINC000928610618 619710277 /nfs/dbraw/zinc/71/02/77/619710277.db2.gz BONMUSAYESSRGT-OAHLLOKOSA-N -1 1 286.306 2.807 20 0 CFADMM O=C(N[C@H](c1ccccn1)C1CC1)c1ccc([O-])cc1F ZINC000928616019 619731361 /nfs/dbraw/zinc/73/13/61/619731361.db2.gz OYBRFKXUFIBOJG-HNNXBMFYSA-N -1 1 286.306 2.807 20 0 CFADMM CSC1(c2noc(-c3ccc([O-])cc3F)n2)CC1 ZINC000896780726 619812621 /nfs/dbraw/zinc/81/26/21/619812621.db2.gz BVBBDLVKRVHPSP-UHFFFAOYSA-N -1 1 266.297 2.933 20 0 CFADMM C[C@@H](CC(C)(C)C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000909558613 619873565 /nfs/dbraw/zinc/87/35/65/619873565.db2.gz ROBDKFNVQUDLNR-VIFPVBQESA-N -1 1 277.368 2.614 20 0 CFADMM CC1(C)CO[C@@H](CC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000897014990 619913036 /nfs/dbraw/zinc/91/30/36/619913036.db2.gz PMJFUCSDYLGCRD-JTQLQIEISA-N -1 1 267.300 2.675 20 0 CFADMM CC1(C)CC2(CC(Nc3cc(Cl)[n-]c(=O)n3)C2)CO1 ZINC000897213288 619951077 /nfs/dbraw/zinc/95/10/77/619951077.db2.gz AHQYELQOQQIGDG-UHFFFAOYSA-N -1 1 283.759 2.595 20 0 CFADMM COCc1nc(C(=O)[N-]c2c(C)noc2C(C)C)cs1 ZINC000928786503 620009842 /nfs/dbraw/zinc/00/98/42/620009842.db2.gz LSKPZVOWHHDFAD-UHFFFAOYSA-N -1 1 295.364 2.962 20 0 CFADMM O=C(NOCCCC(F)(F)F)c1ccc([O-])cc1F ZINC000871214792 620037927 /nfs/dbraw/zinc/03/79/27/620037927.db2.gz RSGYYWOEJKAUGL-UHFFFAOYSA-N -1 1 281.205 2.535 20 0 CFADMM CC(C)(/C=C\Cl)NC(=O)c1ccc([O-])cc1F ZINC000928929237 620071264 /nfs/dbraw/zinc/07/12/64/620071264.db2.gz KBFSDWJJCXSRAL-WAYWQWQTSA-N -1 1 257.692 2.792 20 0 CFADMM CCc1[n-]n(-c2cc(Cl)ncn2)c(=O)c1C(C)C ZINC000871942505 620074384 /nfs/dbraw/zinc/07/43/84/620074384.db2.gz VHJFZIADGASOSP-LLVKDONJSA-N -1 1 266.732 2.515 20 0 CFADMM Cc1cscc1C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888117297 620121454 /nfs/dbraw/zinc/12/14/54/620121454.db2.gz FDKDFGCFVZFSON-UHFFFAOYSA-N -1 1 293.348 2.597 20 0 CFADMM COc1cc(C(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)cc(Cl)c1[O-] ZINC000889588613 620170090 /nfs/dbraw/zinc/17/00/90/620170090.db2.gz ZYKRAALPDKOCRK-MKPLZMMCSA-N -1 1 295.766 2.973 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CCOC2(CCC2)C1 ZINC000897530048 620217787 /nfs/dbraw/zinc/21/77/87/620217787.db2.gz CMEMINGQGRZEMN-SECBINFHSA-N -1 1 296.754 2.728 20 0 CFADMM CC(C)(C)OC(=O)c1cc(NC(=O)C2CC(C)(C)C2)n[nH]1 ZINC000898096231 620337925 /nfs/dbraw/zinc/33/79/25/620337925.db2.gz SPPXYCYXKFTSLA-UHFFFAOYSA-N -1 1 293.367 2.740 20 0 CFADMM C[C@@H](CC(=O)[N-]Oc1ccc(F)cc1)C(F)(F)F ZINC000898575917 620479501 /nfs/dbraw/zinc/47/95/01/620479501.db2.gz HQQCPQYKLLPUSW-ZETCQYMHSA-N -1 1 265.206 2.824 20 0 CFADMM O=c1[nH]c(C[C@H]2CCC(F)(F)C2)nc2cc(F)c([O-])cc12 ZINC000899236973 620536437 /nfs/dbraw/zinc/53/64/37/620536437.db2.gz VHTJGVPLIOGIRL-SSDOTTSWSA-N -1 1 298.264 2.746 20 0 CFADMM Cc1[n-]n(-c2nc3cc(F)c(F)cc3[nH]2)c(=O)c1C(C)C ZINC000899347587 620547722 /nfs/dbraw/zinc/54/77/22/620547722.db2.gz ZJUJMSBZWWQAAS-GFCCVEGCSA-N -1 1 292.289 2.836 20 0 CFADMM O=c1cc(CC2CC2)[n-]n1-c1ccnc(C(F)(F)F)c1 ZINC000899353752 620548579 /nfs/dbraw/zinc/54/85/79/620548579.db2.gz YGAYPBPWMBXEQJ-UHFFFAOYSA-N -1 1 283.253 2.993 20 0 CFADMM Cc1[n-]n(-c2nc3cccnc3s2)c(=O)c1C(C)C ZINC000899351206 620550665 /nfs/dbraw/zinc/55/06/65/620550665.db2.gz CSTXQHTXQXNZAI-JTQLQIEISA-N -1 1 274.349 2.686 20 0 CFADMM CCc1c(C(C)C)[n-]n(C2C[C@@H](C)O[C@H](C)C2)c1=O ZINC000899360322 620552360 /nfs/dbraw/zinc/55/23/60/620552360.db2.gz LHTVKIRCGQJJGG-WZRBSPASSA-N -1 1 266.385 2.823 20 0 CFADMM C[C@H](c1ccccc1)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900024524 620625521 /nfs/dbraw/zinc/62/55/21/620625521.db2.gz QWOMDKKFUJZNLW-LLVKDONJSA-N -1 1 297.358 2.893 20 0 CFADMM CCc1[nH]nc(Cl)c1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000900028460 620626165 /nfs/dbraw/zinc/62/61/65/620626165.db2.gz HVTCZZOUDGAWTE-LBPRGKRZSA-N -1 1 293.754 2.541 20 0 CFADMM Cc1cc(NC(=O)CN(C)CC(C)(C)C)ccc1C(=O)[O-] ZINC000901478062 620826272 /nfs/dbraw/zinc/82/62/72/620826272.db2.gz STDWILFPHQOQEA-UHFFFAOYSA-N -1 1 292.379 2.610 20 0 CFADMM CC(C)(C)c1cnc(C=C2SC(=O)[N-]C2=O)s1 ZINC000901555638 620855922 /nfs/dbraw/zinc/85/59/22/620855922.db2.gz WZKRMMVERQRCSV-XQRVVYSFSA-N -1 1 268.363 2.765 20 0 CFADMM CCOc1ccc(CNCc2ccc(C(=O)[O-])o2)c(C)c1 ZINC000901657233 620884455 /nfs/dbraw/zinc/88/44/55/620884455.db2.gz RQVKGNHBXHYOTM-UHFFFAOYSA-N -1 1 289.331 2.975 20 0 CFADMM CC(C)(C)C[C@@H](NCc1ccc(-c2cc[nH]n2)o1)C(=O)[O-] ZINC000901811065 620922012 /nfs/dbraw/zinc/92/20/12/620922012.db2.gz VRBYLSVFNHYEBN-GFCCVEGCSA-N -1 1 291.351 2.649 20 0 CFADMM Cc1occc1CN(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000901832569 620925147 /nfs/dbraw/zinc/92/51/47/620925147.db2.gz OHPNTXSQRQHJLV-UHFFFAOYSA-N -1 1 289.331 2.683 20 0 CFADMM COc1ccc([C@H](NCc2ccoc2C)C(=O)[O-])cc1F ZINC000901862439 620929034 /nfs/dbraw/zinc/92/90/34/620929034.db2.gz XGDNFYJDJNDDPN-AWEZNQCLSA-N -1 1 293.294 2.651 20 0 CFADMM CCCC[C@@H](COC)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901909096 620937803 /nfs/dbraw/zinc/93/78/03/620937803.db2.gz BLEYYHWWEIHCGN-UWVGGRQHSA-N -1 1 286.397 2.697 20 0 CFADMM C[C@@H](CSCCF)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901907160 620937808 /nfs/dbraw/zinc/93/78/08/620937808.db2.gz CWAFDIWEJLZBRV-YUMQZZPRSA-N -1 1 292.401 2.583 20 0 CFADMM Cc1ccoc1CN(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000902003870 620955020 /nfs/dbraw/zinc/95/50/20/620955020.db2.gz GJOJYXPGKIOYSU-CQSZACIVSA-N -1 1 273.332 2.716 20 0 CFADMM Cc1ccc(CN(C)[C@@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000902006440 620955896 /nfs/dbraw/zinc/95/58/96/620955896.db2.gz YMFSUKQCXRYEDA-HNNXBMFYSA-N -1 1 273.332 2.716 20 0 CFADMM C[C@@H]1CCN(Cc2cc3cccnc3o2)[C@H](C(=O)[O-])C1 ZINC000902011824 620957568 /nfs/dbraw/zinc/95/75/68/620957568.db2.gz MTUUNFSPCGCMBC-MFKMUULPSA-N -1 1 274.320 2.513 20 0 CFADMM CCCc1ccc(CN2CC[C@@H](OC)C[C@@H]2C(=O)[O-])s1 ZINC000902032520 620966982 /nfs/dbraw/zinc/96/69/82/620966982.db2.gz MOEYBNOSYHUKLB-BXUZGUMPSA-N -1 1 297.420 2.765 20 0 CFADMM COc1ccc([C@H](C)NCc2ccoc2C(=O)[O-])cc1F ZINC000902082640 620970456 /nfs/dbraw/zinc/97/04/56/620970456.db2.gz IREKVPCVVBPSLU-VIFPVBQESA-N -1 1 293.294 2.976 20 0 CFADMM CCOc1ccc(CNCc2ccoc2C(=O)[O-])cc1 ZINC000902104189 620974652 /nfs/dbraw/zinc/97/46/52/620974652.db2.gz JWCRESHHWPKGNR-UHFFFAOYSA-N -1 1 275.304 2.666 20 0 CFADMM COc1cc(CNCc2cc(C(=O)[O-])c(C)o2)ccc1C ZINC000902171429 620993074 /nfs/dbraw/zinc/99/30/74/620993074.db2.gz ZWRBRVCJRZGFRV-UHFFFAOYSA-N -1 1 289.331 2.893 20 0 CFADMM COc1cccc2c1CC[C@@H]2NCc1ccc(C(=O)[O-])o1 ZINC000902221244 621000712 /nfs/dbraw/zinc/00/07/12/621000712.db2.gz CWFCHPABKGQEJQ-ZDUSSCGKSA-N -1 1 287.315 2.764 20 0 CFADMM Cc1ccc2c(c1)[C@H](NCc1cccc(C(=O)[O-])n1)CC2 ZINC000902229759 621002799 /nfs/dbraw/zinc/00/27/99/621002799.db2.gz ABTKBSUGPRBDTO-OAHLLOKOSA-N -1 1 282.343 2.865 20 0 CFADMM CC[C@@H]1CN(Cc2ccc(/C=C\C(=O)[O-])o2)CCS1 ZINC000902281779 621013679 /nfs/dbraw/zinc/01/36/79/621013679.db2.gz LMUSGRYYRNHWSO-CFHLNLSMSA-N -1 1 281.377 2.705 20 0 CFADMM C[C@@H](CNCc1cc(C(=O)[O-])no1)Sc1ccccc1 ZINC000902315985 621030835 /nfs/dbraw/zinc/03/08/35/621030835.db2.gz PYUDNHMSJXATNZ-JTQLQIEISA-N -1 1 292.360 2.643 20 0 CFADMM Cc1ccc([C@H]2CC[N@@H+](Cc3cc(C(=O)[O-])no3)C2)cc1 ZINC000902327217 621037460 /nfs/dbraw/zinc/03/74/60/621037460.db2.gz SJMIIQBDFFVPPP-ZDUSSCGKSA-N -1 1 286.331 2.671 20 0 CFADMM Cn1cc([C@@H](NCc2ccc(C(=O)[O-])o2)C(C)(C)C)cn1 ZINC000902395842 621064809 /nfs/dbraw/zinc/06/48/09/621064809.db2.gz NHYJSQJOCQSDLO-CYBMUJFWSA-N -1 1 291.351 2.588 20 0 CFADMM O=C([O-])c1coc(CN2CCC=C(c3ccco3)C2)c1 ZINC000902459018 621095278 /nfs/dbraw/zinc/09/52/78/621095278.db2.gz MWFVMMHJINWSSM-UHFFFAOYSA-N -1 1 273.288 2.860 20 0 CFADMM Cc1ccc([C@@H](C)N(C)Cc2cc(C(=O)[O-])no2)cc1 ZINC000902509628 621108138 /nfs/dbraw/zinc/10/81/38/621108138.db2.gz GKSHKLDUTBIDPG-LLVKDONJSA-N -1 1 274.320 2.874 20 0 CFADMM C[C@H]1c2ccccc2CCN1Cc1cccc(C(=O)[O-])n1 ZINC000902528915 621118554 /nfs/dbraw/zinc/11/85/54/621118554.db2.gz HEOHMTKZKUFMMR-LBPRGKRZSA-N -1 1 282.343 2.899 20 0 CFADMM Cc1ccc(F)c(CN(CC(=O)[O-])C2CCC2)c1F ZINC000903407962 621363356 /nfs/dbraw/zinc/36/33/56/621363356.db2.gz BOPZQGZVVUCLKF-UHFFFAOYSA-N -1 1 269.291 2.712 20 0 CFADMM CC[C@@H](C(=O)[O-])N(C)Cc1c(F)ccc(C)c1F ZINC000903408193 621363499 /nfs/dbraw/zinc/36/34/99/621363499.db2.gz GMZQNNALYXZGPR-NSHDSACASA-N -1 1 257.280 2.568 20 0 CFADMM O=C([O-])c1ccc(Cl)c(CN2CCC(F)CC2)c1 ZINC000903607605 621401771 /nfs/dbraw/zinc/40/17/71/621401771.db2.gz LSAVGNIJPSEONM-UHFFFAOYSA-N -1 1 271.719 2.972 20 0 CFADMM C[C@H]1C[C@H](NC(=O)c2cc(F)ccc2[O-])CCS1 ZINC000834661559 625766190 /nfs/dbraw/zinc/76/61/90/625766190.db2.gz RQEIREXFZAACID-WCBMZHEXSA-N -1 1 269.341 2.545 20 0 CFADMM C[C@H]1CCN(Cc2c(Cl)cccc2C(=O)[O-])CCO1 ZINC000903633020 621412250 /nfs/dbraw/zinc/41/22/50/621412250.db2.gz DRDXNOZSSZDQCZ-JTQLQIEISA-N -1 1 283.755 2.649 20 0 CFADMM C[C@@H](c1nc(-c2ccc([O-])cc2F)no1)[C@@H]1CCCO1 ZINC000903669495 621413546 /nfs/dbraw/zinc/41/35/46/621413546.db2.gz DQQYHLJGKHFDTD-PELKAZGASA-N -1 1 278.283 2.864 20 0 CFADMM C[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)[C@H]1CCCO1 ZINC000903669770 621413865 /nfs/dbraw/zinc/41/38/65/621413865.db2.gz JZSUICWPZZLMRC-QPUJVOFHSA-N -1 1 278.283 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1 285.334 2.953 20 0 CFADMM Cc1ccc(CN2CCOC[C@@H]2CC2CC2)cc1C(=O)[O-] ZINC000903943657 621482224 /nfs/dbraw/zinc/48/22/24/621482224.db2.gz MSJWPWMBTJYBCE-HNNXBMFYSA-N -1 1 289.375 2.694 20 0 CFADMM Cc1cn[nH]c1CN[C@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000904002522 621497976 /nfs/dbraw/zinc/49/79/76/621497976.db2.gz YKWSDPKQLAWVJP-ZDUSSCGKSA-N -1 1 293.754 2.595 20 0 CFADMM Cc1coc(CN[C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000903988914 621500222 /nfs/dbraw/zinc/50/02/22/621500222.db2.gz KVPNNCFSICQTJQ-LBPRGKRZSA-N -1 1 265.334 2.955 20 0 CFADMM Cc1coc(CN[C@@H](Cc2ccc(C)c(C)c2)C(=O)[O-])c1 ZINC000904020476 621503234 /nfs/dbraw/zinc/50/32/34/621503234.db2.gz IVWOHGWUJXCLOI-INIZCTEOSA-N -1 1 287.359 2.990 20 0 CFADMM O=C([O-])C[C@H](NCc1cnc(C2CC2)o1)c1cccs1 ZINC000904005229 621505154 /nfs/dbraw/zinc/50/51/54/621505154.db2.gz JTDIDCFQQARXCM-NSHDSACASA-N -1 1 292.360 2.919 20 0 CFADMM Cc1cn[nH]c1CNc1ccc(CCCC(=O)[O-])cc1 ZINC000904012230 621506866 /nfs/dbraw/zinc/50/68/66/621506866.db2.gz 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ZINC000909986984 622380451 /nfs/dbraw/zinc/38/04/51/622380451.db2.gz YERYWBOLHBIPGE-JGVFFNPUSA-N -1 1 283.274 2.614 20 0 CFADMM CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909986901 622380582 /nfs/dbraw/zinc/38/05/82/622380582.db2.gz XESHDJUGAOGHQB-OQPBUACISA-N -1 1 285.290 2.670 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)c1snnc1C1CC1 ZINC000909987105 622380590 /nfs/dbraw/zinc/38/05/90/622380590.db2.gz HTYXBJIPXYJMKA-UHFFFAOYSA-N -1 1 297.286 2.652 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000909983518 622381175 /nfs/dbraw/zinc/38/11/75/622381175.db2.gz XVRFHPRBTPLMCB-IYOMYWLESA-N -1 1 253.248 2.655 20 0 CFADMM CC(C)(C)c1[nH]cnc1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987824 622381994 /nfs/dbraw/zinc/38/19/94/622381994.db2.gz KPUZMQJCMWDBHP-UHFFFAOYSA-N -1 1 295.289 2.943 20 0 CFADMM COCCC[C@@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910982537 622494451 /nfs/dbraw/zinc/49/44/51/622494451.db2.gz LFMJPSKFWZTSDT-MRVPVSSYSA-N -1 1 273.279 2.672 20 0 CFADMM CC[C@@H]1C[C@H](C(=O)Nc2cc(F)cc(F)c2[O-])CCO1 ZINC000910984809 622495072 /nfs/dbraw/zinc/49/50/72/622495072.db2.gz YWGKEPKYRSLPQB-PSASIEDQSA-N -1 1 285.290 2.814 20 0 CFADMM CC(C)CO[C@@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984384 622495087 /nfs/dbraw/zinc/49/50/87/622495087.db2.gz OHSAQJYJCPBDEF-QMMMGPOBSA-N -1 1 273.279 2.670 20 0 CFADMM C/C(=C/C(=O)Nc1cc(F)cc(F)c1[O-])C1CC1 ZINC000910984417 622495379 /nfs/dbraw/zinc/49/53/79/622495379.db2.gz OWJRPJUUMOXUFT-DAXSKMNVSA-N -1 1 253.248 2.965 20 0 CFADMM CC(F)(F)CC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910988475 622495761 /nfs/dbraw/zinc/49/57/61/622495761.db2.gz FTFJJOKWEUGYJQ-UHFFFAOYSA-N -1 1 251.179 2.654 20 0 CFADMM CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910990153 622496027 /nfs/dbraw/zinc/49/60/27/622496027.db2.gz JOBQNVIYQPMDJQ-ZANVPECISA-N -1 1 285.290 2.670 20 0 CFADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910989669 622496117 /nfs/dbraw/zinc/49/61/17/622496117.db2.gz CBDUITNDAAOSNM-NEPJDUFXSA-N -1 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CC(=Cc1ccc(C)cc1)C(=O)Nc1ccncc1[O-] ZINC000781350419 628542504 /nfs/dbraw/zinc/54/25/04/628542504.db2.gz MZUIUSOOUYWPCF-FMIVXFBMSA-N -1 1 268.316 2.560 20 0 CFADMM O=c1cc(CSc2cccnn2)c2ccc([O-])cc2o1 ZINC000781386502 628545194 /nfs/dbraw/zinc/54/51/94/628545194.db2.gz OOGXASLNOXKAFM-UHFFFAOYSA-N -1 1 286.312 2.581 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)C=Cc2ccc[nH]2)c1 ZINC000782334781 628630219 /nfs/dbraw/zinc/63/02/19/628630219.db2.gz CEEKWOYTJHYLGO-FNORWQNLSA-N -1 1 299.326 2.722 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)/C=C\C(C)C)c1 ZINC000785059573 628862945 /nfs/dbraw/zinc/86/29/45/628862945.db2.gz OLHPKNFAJIXEIC-DAXSKMNVSA-N -1 1 276.332 2.893 20 0 CFADMM CC(C)/C=C\C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000785069296 628864213 /nfs/dbraw/zinc/86/42/13/628864213.db2.gz IDMKSGGKPRCBRM-UTCJRWHESA-N -1 1 288.299 2.754 20 0 CFADMM COc1ccc(C(=O)Nc2nccc3ccncc32)c([O-])c1 ZINC000788167983 629048144 /nfs/dbraw/zinc/04/81/44/629048144.db2.gz ZGEQZZLNTLLRRO-UHFFFAOYSA-N -1 1 295.298 2.596 20 0 CFADMM O=S(=O)([N-]CCC1CCC1)c1cc(Cl)ccc1F ZINC000790224845 629220751 /nfs/dbraw/zinc/22/07/51/629220751.db2.gz RVVKWWOKWASCPP-UHFFFAOYSA-N -1 1 291.775 2.948 20 0 CFADMM O=C(Cc1cccc(C(F)F)c1)[N-]O[C@@H]1CCCCO1 ZINC000790619005 629252974 /nfs/dbraw/zinc/25/29/74/629252974.db2.gz YJZMPLAHFBVOGH-CYBMUJFWSA-N -1 1 285.290 2.741 20 0 CFADMM CSCCO[N-]C(=O)[C@H](C)c1cccc(C)c1 ZINC000794190118 629620210 /nfs/dbraw/zinc/62/02/10/629620210.db2.gz QYOOIEJVNTUEJA-LLVKDONJSA-N -1 1 253.367 2.509 20 0 CFADMM O=C(NOC/C=C/Cl)c1ccc(C(F)(F)F)c([O-])c1 ZINC000794306193 629634304 /nfs/dbraw/zinc/63/43/04/629634304.db2.gz RHHMTRTVMVCOSK-DAFODLJHSA-N -1 1 295.644 2.825 20 0 CFADMM CCc1ccccc1COC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000796368636 629909247 /nfs/dbraw/zinc/90/92/47/629909247.db2.gz GUTLYOZCCWEYGO-UHFFFAOYSA-N -1 1 287.315 2.721 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@H](C)c2ccccc2)[n-]1 ZINC000796369059 629909667 /nfs/dbraw/zinc/90/96/67/629909667.db2.gz KPMJYXFGWGRUDN-SNVBAGLBSA-N -1 1 273.288 2.719 20 0 CFADMM CCc1cccc(OC(=O)c2ccc(C(=O)OC)[n-]2)c1 ZINC000796731275 629956970 /nfs/dbraw/zinc/95/69/70/629956970.db2.gz JHNYLULTWKJOHQ-UHFFFAOYSA-N -1 1 273.288 2.583 20 0 CFADMM COC(=O)c1ccc(C(=O)Oc2cc(Cl)ccc2F)[n-]1 ZINC000796911153 629988278 /nfs/dbraw/zinc/98/82/78/629988278.db2.gz JGGLGZGPVIUHLQ-UHFFFAOYSA-N -1 1 297.669 2.813 20 0 CFADMM CCCC[C@@H](C)OC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000796983700 630000031 /nfs/dbraw/zinc/00/00/31/630000031.db2.gz PSALGIVVQQWTPX-SECBINFHSA-N -1 1 253.298 2.537 20 0 CFADMM COC(=O)c1ccc(C(=O)OC[C@@H]2C[C@@]2(C)C(C)C)[n-]1 ZINC000797117073 630021139 /nfs/dbraw/zinc/02/11/39/630021139.db2.gz ANSWHEOVDMHLGF-BONVTDFDSA-N -1 1 279.336 2.640 20 0 CFADMM COC(=O)c1ccc(C(=O)Oc2ccc3cccnc3c2)[n-]1 ZINC000797211536 630040019 /nfs/dbraw/zinc/04/00/19/630040019.db2.gz GNRIMJIJBFCLNF-UHFFFAOYSA-N -1 1 296.282 2.569 20 0 CFADMM COC(=O)c1ccc(C(=O)OCC23CCC(CC2)C3)[n-]1 ZINC000797242274 630047484 /nfs/dbraw/zinc/04/74/84/630047484.db2.gz FJBVJTHYZCLWLD-UHFFFAOYSA-N -1 1 277.320 2.538 20 0 CFADMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC000867151707 630169984 /nfs/dbraw/zinc/16/99/84/630169984.db2.gz MHLDSRBBHHTHQG-HTQZYQBOSA-N -1 1 279.308 2.684 20 0 CFADMM CC(C)n1ncc(C(=O)Nc2ccc([O-])c(Cl)c2)c1N ZINC000798981758 630266806 /nfs/dbraw/zinc/26/68/06/630266806.db2.gz QUJARWXQGWUMSP-UHFFFAOYSA-N -1 1 294.742 2.658 20 0 CFADMM CC[C@H]1CN(CC)CCN1C(=O)c1cccc(Cl)c1[O-] ZINC000836949390 630922956 /nfs/dbraw/zinc/92/29/56/630922956.db2.gz YOWRSKFCBPWHNU-NSHDSACASA-N -1 1 296.798 2.602 20 0 CFADMM CC(C)n1ccc(CC(=O)Nc2ccc([O-])c(F)c2F)n1 ZINC000837086985 630951502 /nfs/dbraw/zinc/95/15/02/630951502.db2.gz XMLSQWLBUJNBCA-UHFFFAOYSA-N -1 1 295.289 2.629 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)C1(F)CCCC1 ZINC000837086691 630951616 /nfs/dbraw/zinc/95/16/16/630951616.db2.gz RGHVULBMHZJJSU-UHFFFAOYSA-N -1 1 259.227 2.891 20 0 CFADMM O=C(O[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000837508173 631050977 /nfs/dbraw/zinc/05/09/77/631050977.db2.gz QRXGBOZYSDOBJI-LURJTMIESA-N -1 1 277.103 2.645 20 0 CFADMM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000867267964 631463562 /nfs/dbraw/zinc/46/35/62/631463562.db2.gz HNBLGMYOWUSVRS-MRVPVSSYSA-N -1 1 279.308 2.684 20 0 CFADMM Cc1ccc(NC(=O)CO[N-]C(=O)CC(C)(C)C)c(C)c1 ZINC000842060485 631518934 /nfs/dbraw/zinc/51/89/34/631518934.db2.gz LRIHHSXQJULYJG-UHFFFAOYSA-N -1 1 292.379 2.726 20 0 CFADMM CC(C)N(C(=O)[C@H](C)O[N-]C(=O)CC(C)(C)C)C(C)C ZINC000842060851 631518977 /nfs/dbraw/zinc/51/89/77/631518977.db2.gz RGDLBUBYKIQYQO-LBPRGKRZSA-N -1 1 286.416 2.504 20 0 CFADMM CC(C)(C)CC(=O)[N-]OCC(=O)NCCC1CCCCC1 ZINC000842060751 631519190 /nfs/dbraw/zinc/51/91/90/631519190.db2.gz DFRJNEGLUUZDFE-UHFFFAOYSA-N -1 1 298.427 2.557 20 0 CFADMM C[C@H]1CCCC[C@H]1N(C)C(=O)CO[N-]C(=O)CC(C)(C)C ZINC000842063187 631520930 /nfs/dbraw/zinc/52/09/30/631520930.db2.gz JLSBWNWDJHUIJA-QWHCGFSZSA-N -1 1 298.427 2.508 20 0 CFADMM CC(C)(C)CC(=O)[N-]OCc1ncc(C(C)(C)C)o1 ZINC000842063650 631520943 /nfs/dbraw/zinc/52/09/43/631520943.db2.gz OZFQLCPMKYNLJY-UHFFFAOYSA-N -1 1 268.357 2.956 20 0 CFADMM O=C(OCCOCC1CCC1)c1c([O-])cc(F)cc1F ZINC000842069992 631524210 /nfs/dbraw/zinc/52/42/10/631524210.db2.gz JKYGCBHMWKQTCB-UHFFFAOYSA-N -1 1 286.274 2.644 20 0 CFADMM COc1cccc([O-])c1C(=O)Nc1ccnn1C1CCC1 ZINC000890361845 635673497 /nfs/dbraw/zinc/67/34/97/635673497.db2.gz BLTVJASHYHZQNS-UHFFFAOYSA-N -1 1 287.319 2.575 20 0 CFADMM CCC[C@](C)(O)c1nc(-c2ccc([O-])cc2F)no1 ZINC000842497069 631646031 /nfs/dbraw/zinc/64/60/31/631646031.db2.gz KUQLEWIUSJAPDH-ZDUSSCGKSA-N -1 1 266.272 2.589 20 0 CFADMM CCOc1cc(-c2noc(C(C)(C)O)n2)cc(Cl)c1[O-] ZINC000842502066 631647651 /nfs/dbraw/zinc/64/76/51/631647651.db2.gz NTBYINUACHBBRR-UHFFFAOYSA-N -1 1 298.726 2.722 20 0 CFADMM C[C@H]1CCc2ccccc2[C@H]1[N-]C(=O)C(F)(F)F ZINC000155526281 650023484 /nfs/dbraw/zinc/02/34/84/650023484.db2.gz WDDZEDLBFKRCER-KWQFWETISA-N -1 1 257.255 2.989 20 0 CFADMM CN[C@H](CC(C)(C)C)c1nc(C2(C(=O)[O-])CCCC2)no1 ZINC000843170469 631876420 /nfs/dbraw/zinc/87/64/20/631876420.db2.gz SPURBTKSFIYXQC-SNVBAGLBSA-N -1 1 295.383 2.663 20 0 CFADMM COc1ccccc1C1([N-]C(=O)C(F)(F)C(F)F)CC1 ZINC000843670437 632017605 /nfs/dbraw/zinc/01/76/05/632017605.db2.gz RHLZXVRTNJBINI-UHFFFAOYSA-N -1 1 291.244 2.701 20 0 CFADMM O=C(c1nnc2ccccc2c1O)N(C1CCC1)C1CCC1 ZINC000814164767 632019308 /nfs/dbraw/zinc/01/93/08/632019308.db2.gz ANASHFJSIWOXBR-UHFFFAOYSA-N -1 1 297.358 2.883 20 0 CFADMM CCCO[N-]C(=O)Cc1sccc1Br ZINC000844090273 632116211 /nfs/dbraw/zinc/11/62/11/632116211.db2.gz KMLAUKRMRZIYGD-UHFFFAOYSA-N -1 1 278.171 2.511 20 0 CFADMM C[C@H]1SCC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000844107172 632120775 /nfs/dbraw/zinc/12/07/75/632120775.db2.gz MVSMMMQOEPQXBS-VXNVDRBHSA-N -1 1 271.769 2.669 20 0 CFADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1c([O-])cccc1Cl ZINC000844110212 632121411 /nfs/dbraw/zinc/12/14/11/632121411.db2.gz ZOYVKXCDNUQHLA-OPRDCNLKSA-N -1 1 265.740 2.964 20 0 CFADMM COc1cccc(-c2noc([N-]CC(C)(F)F)n2)c1 ZINC000814913629 632162628 /nfs/dbraw/zinc/16/26/28/632162628.db2.gz SBWNHFHZXXLJRB-UHFFFAOYSA-N -1 1 269.251 2.812 20 0 CFADMM C[C@@]1(CC[N-]C(=O)C(F)(F)C(F)F)C[C@]1(F)Cl ZINC000844808141 632313672 /nfs/dbraw/zinc/31/36/72/632313672.db2.gz HRQPOKYBJGESMS-HTQZYQBOSA-N -1 1 279.636 2.708 20 0 CFADMM CC[C@@H](C(=O)[O-])N(C)Cc1ccnc(Cl)c1Cl ZINC000844934737 632340993 /nfs/dbraw/zinc/34/09/93/632340993.db2.gz AHSWKWNCKQVLRH-QMMMGPOBSA-N -1 1 277.151 2.683 20 0 CFADMM O=C(NOCCC1CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000817373243 632617376 /nfs/dbraw/zinc/61/73/76/632617376.db2.gz SQUCAPXNMALLEB-UHFFFAOYSA-N -1 1 289.253 2.873 20 0 CFADMM COc1cccc([C@@H](C)C(=O)[N-]OCCC2CC2)c1 ZINC000817387927 632619051 /nfs/dbraw/zinc/61/90/51/632619051.db2.gz JZPRGJKZKQKBRY-LLVKDONJSA-N -1 1 263.337 2.647 20 0 CFADMM C[C@@H](C(=O)[N-]OCCC1CC1)c1cccc(F)c1 ZINC000817399721 632620722 /nfs/dbraw/zinc/62/07/22/632620722.db2.gz YAOOAJLJWSDGRL-SNVBAGLBSA-N -1 1 251.301 2.777 20 0 CFADMM O=C([N-]OCCC1CC1)c1c(F)c(F)cc(F)c1F ZINC000817403796 632621061 /nfs/dbraw/zinc/62/10/61/632621061.db2.gz PCSOOTPRLBYWEB-UHFFFAOYSA-N -1 1 277.217 2.705 20 0 CFADMM C[C@H](C(=O)[N-]OCCC1CC1)c1ccccc1F ZINC000817429777 632631767 /nfs/dbraw/zinc/63/17/67/632631767.db2.gz GWFDRBQPINJHIZ-JTQLQIEISA-N -1 1 251.301 2.777 20 0 CFADMM O=C([O-])[C@@H]1CCCCN1Cc1cncc(C(F)(F)F)c1 ZINC000846225644 632668666 /nfs/dbraw/zinc/66/86/66/632668666.db2.gz OVHDICVFAVBIRJ-NSHDSACASA-N -1 1 288.269 2.540 20 0 CFADMM Cc1nc(C)c(CNC2(C(=O)[O-])CCCCCC2)o1 ZINC000846228059 632669390 /nfs/dbraw/zinc/66/93/90/632669390.db2.gz YLPPHXRGLDYLHN-UHFFFAOYSA-N -1 1 266.341 2.559 20 0 CFADMM C[C@@H]1CCOCCN1Cc1cccc(C(=O)[O-])c1Cl ZINC000846247978 632673294 /nfs/dbraw/zinc/67/32/94/632673294.db2.gz BRCGZYXFHMYQSQ-SNVBAGLBSA-N -1 1 283.755 2.649 20 0 CFADMM O=C([O-])C[C@@H]1COCCN1Cc1cc2ccccc2s1 ZINC000846272618 632680362 /nfs/dbraw/zinc/68/03/62/632680362.db2.gz QUPKANZZBDTBPJ-GFCCVEGCSA-N -1 1 291.372 2.577 20 0 CFADMM CC(C)CCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000006000826 632988664 /nfs/dbraw/zinc/98/86/64/632988664.db2.gz IOHKNLGGLHOVLP-UHFFFAOYSA-N -1 1 290.315 2.978 20 0 CFADMM O=C(C[C@@H]1OCc2ccccc21)[N-]OC1CCCC1 ZINC000847662776 633030403 /nfs/dbraw/zinc/03/04/03/633030403.db2.gz PDBKZZJEGSNXKJ-AWEZNQCLSA-N -1 1 261.321 2.638 20 0 CFADMM CCN(C(=O)c1ccc2n[n-]c(=S)n2c1)[C@H](C)C(C)C ZINC000848100626 633202525 /nfs/dbraw/zinc/20/25/25/633202525.db2.gz QXMCJZZMAFPMSF-SNVBAGLBSA-N -1 1 292.408 2.525 20 0 CFADMM CC1([N-]S(=O)(=O)c2cc3ccccc3o2)CC=CC1 ZINC000848467943 633262826 /nfs/dbraw/zinc/26/28/26/633262826.db2.gz HYXKVZGCTPOWHI-UHFFFAOYSA-N -1 1 277.345 2.820 20 0 CFADMM Cc1cnc(SC[C@H]2CC2(Cl)Cl)[n-]c1=O ZINC000849901362 633756881 /nfs/dbraw/zinc/75/68/81/633756881.db2.gz VFJQJAHXHQBOQZ-ZCFIWIBFSA-N -1 1 265.165 2.777 20 0 CFADMM Cc1cnc(SCCCCC2(C)OCCO2)[n-]c1=O ZINC000849903044 633759734 /nfs/dbraw/zinc/75/97/34/633759734.db2.gz HNCQWEJIFRDPEP-UHFFFAOYSA-N -1 1 284.381 2.516 20 0 CFADMM CCCCOC(=O)[C@@H](C)Sc1nc(CC)c(C)c(=O)[n-]1 ZINC000849921551 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/nfs/dbraw/zinc/00/16/69/779001669.db2.gz CXXCIMXNUNSXBK-UHFFFAOYSA-N -1 1 262.259 2.581 20 0 CFADMM Cc1cccc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)n1 ZINC000350575836 779033328 /nfs/dbraw/zinc/03/33/28/779033328.db2.gz SLBKNUFLDAZYAI-UHFFFAOYSA-N -1 1 297.270 2.541 20 0 CFADMM CCC[C@H](OC)c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000351128268 779209837 /nfs/dbraw/zinc/20/98/37/779209837.db2.gz CXTSLXFDSUBQPO-JTQLQIEISA-N -1 1 292.291 2.659 20 0 CFADMM Cc1cc(C(=O)[O-])ccc1CN1CC2(C1)C[C@H](F)CS2 ZINC001238146447 779262573 /nfs/dbraw/zinc/26/25/73/779262573.db2.gz WUUQYMYOSURKJS-ZDUSSCGKSA-N -1 1 295.379 2.723 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H](C(F)(F)F)C1 ZINC000388326425 779262938 /nfs/dbraw/zinc/26/29/38/779262938.db2.gz PPWRYMKHRZNSBT-ZETCQYMHSA-N -1 1 277.217 2.556 20 0 CFADMM Cc1ccc(F)c(-c2cc(-c3nnco3)ccn2)c1[O-] ZINC001236389171 779555894 /nfs/dbraw/zinc/55/58/94/779555894.db2.gz ACCWGTVUYOCZCM-UHFFFAOYSA-N -1 1 271.251 2.952 20 0 CFADMM CCOc1ccccc1-c1ccc2nc(C(=O)OC)[n-]c2n1 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[O-]c1cc(Nc2cnn([C@H]3CCOC3)c2)cc(F)c1F ZINC001205198950 779879681 /nfs/dbraw/zinc/87/96/81/779879681.db2.gz KVMRSDOVPHXAQL-JTQLQIEISA-N -1 1 281.262 2.572 20 0 CFADMM COC(=O)c1nc2cc(-c3cnccc3C)ccc2[n-]1 ZINC001239974151 779891582 /nfs/dbraw/zinc/89/15/82/779891582.db2.gz IMURXWYODCAWIB-UHFFFAOYSA-N -1 1 267.288 2.720 20 0 CFADMM COC(=O)c1nc2ccc(-c3cnccc3C)cc2[n-]1 ZINC001239974151 779891585 /nfs/dbraw/zinc/89/15/85/779891585.db2.gz IMURXWYODCAWIB-UHFFFAOYSA-N -1 1 267.288 2.720 20 0 CFADMM O=C1Cc2cc(-c3c4cc[nH]c4ccc3F)ccc2C(=O)[N-]1 ZINC001240225946 780012407 /nfs/dbraw/zinc/01/24/07/780012407.db2.gz LNYDPOIRSDSUIF-UHFFFAOYSA-N -1 1 294.285 2.787 20 0 CFADMM COC(=O)c1nc2cc(-c3cccc4n[nH]cc43)ccc2[n-]1 ZINC001240313770 780071191 /nfs/dbraw/zinc/07/11/91/780071191.db2.gz UNCXAHXGSICDGL-UHFFFAOYSA-N -1 1 292.298 2.893 20 0 CFADMM COC(=O)c1nc2ccc(-c3cccc4n[nH]cc43)cc2[n-]1 ZINC001240313770 780071201 /nfs/dbraw/zinc/07/12/01/780071201.db2.gz UNCXAHXGSICDGL-UHFFFAOYSA-N -1 1 292.298 2.893 20 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XPJZJDMAKJJOJZ-UHFFFAOYSA-N -1 1 277.270 2.755 20 0 CFADMM Cn1cnc2ccnc(-c3c(F)ccc([O-])c3F)c21 ZINC001241288969 780758364 /nfs/dbraw/zinc/75/83/64/780758364.db2.gz DJOLJTSCCGDIAH-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM CC(=O)c1cccc(-c2noc(-c3ccc([O-])cn3)n2)c1 ZINC001212557786 781055701 /nfs/dbraw/zinc/05/57/01/781055701.db2.gz AHGRITQDWDIPCB-UHFFFAOYSA-N -1 1 281.271 2.707 20 0 CFADMM O=C([O-])CC[C@H]1CCCCN1Cc1ccc(Cl)cn1 ZINC000703879023 781071970 /nfs/dbraw/zinc/07/19/70/781071970.db2.gz MQKIXMULFZOQJY-CYBMUJFWSA-N -1 1 282.771 2.954 20 0 CFADMM O=C([O-])C[C@H]1CCCCN1Cc1ccc(Cl)cn1 ZINC000703879113 781072078 /nfs/dbraw/zinc/07/20/78/781072078.db2.gz NMAQARSSCMEIMI-GFCCVEGCSA-N -1 1 268.744 2.564 20 0 CFADMM CCCOc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001241748042 781108150 /nfs/dbraw/zinc/10/81/50/781108150.db2.gz PGPTUYFUYPKCAJ-UHFFFAOYSA-N -1 1 281.319 2.718 20 0 CFADMM CCCOc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001241748042 781108154 /nfs/dbraw/zinc/10/81/54/781108154.db2.gz PGPTUYFUYPKCAJ-UHFFFAOYSA-N -1 1 281.319 2.718 20 0 CFADMM Cn1ccc2c1cccc2-c1ccc([P@@](=O)([O-])O)cc1 ZINC001241823756 781146102 /nfs/dbraw/zinc/14/61/02/781146102.db2.gz UVFNNMRZZPVSCR-UHFFFAOYSA-N -1 1 287.255 2.648 20 0 CFADMM Cn1ccc2c1cccc2-c1ccc([P@](=O)([O-])O)cc1 ZINC001241823756 781146105 /nfs/dbraw/zinc/14/61/05/781146105.db2.gz UVFNNMRZZPVSCR-UHFFFAOYSA-N -1 1 287.255 2.648 20 0 CFADMM CNC(=O)c1ccnc(-c2cc(C(F)(F)F)ccc2[O-])c1 ZINC001242132642 781296079 /nfs/dbraw/zinc/29/60/79/781296079.db2.gz XGDNEWWSYXODDY-UHFFFAOYSA-N -1 1 296.248 2.833 20 0 CFADMM Cc1cc2c(c(/C=C/Cc3ccccc3)n1)C(=O)[N-]C2=O ZINC001242140229 781297149 /nfs/dbraw/zinc/29/71/49/781297149.db2.gz CLWYMXUKZMEVCU-WEVVVXLNSA-N -1 1 278.311 2.530 20 0 CFADMM Cc1nc(-c2ccc([O-])c(C(F)(F)F)c2)nc(N(C)C)n1 ZINC001242153197 781304008 /nfs/dbraw/zinc/30/40/08/781304008.db2.gz TXKVSEFQFSSUNF-UHFFFAOYSA-N -1 1 298.268 2.637 20 0 CFADMM CCn1nc(-c2ccc([O-])c(C(F)(F)F)c2)ccc1=O ZINC001242166049 781310643 /nfs/dbraw/zinc/31/06/43/781310643.db2.gz LNUVZWOMDPGHSU-UHFFFAOYSA-N -1 1 284.237 2.655 20 0 CFADMM CS(=O)(=O)c1ccccc1-c1ccc(F)cc1[O-] ZINC001242217530 781332141 /nfs/dbraw/zinc/33/21/41/781332141.db2.gz DTNSODVCRGPUIS-UHFFFAOYSA-N -1 1 266.293 2.602 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H](c2nccs2)C1 ZINC000710492443 781334446 /nfs/dbraw/zinc/33/44/46/781334446.db2.gz HYOMYJCFYYNNRQ-VIFPVBQESA-N -1 1 292.335 2.618 20 0 CFADMM Cc1cc(-c2ccc([P@@](=O)([O-])O)cc2)ccc1N(C)C ZINC001242242072 781342295 /nfs/dbraw/zinc/34/22/95/781342295.db2.gz PVMFRVNYTZSBIZ-UHFFFAOYSA-N -1 1 291.287 2.531 20 0 CFADMM Cc1cc(-c2ccc([P@](=O)([O-])O)cc2)ccc1N(C)C ZINC001242242072 781342298 /nfs/dbraw/zinc/34/22/98/781342298.db2.gz PVMFRVNYTZSBIZ-UHFFFAOYSA-N -1 1 291.287 2.531 20 0 CFADMM Cc1cc2[nH]cnc2cc1-c1ccc(C(=O)[O-])nc1 ZINC001242335507 781406031 /nfs/dbraw/zinc/40/60/31/781406031.db2.gz HCVIGUKUGXFKCX-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM CCN(C)c1cc(C)nc(-c2cccc(C)c2[O-])n1 ZINC001242342765 781415235 /nfs/dbraw/zinc/41/52/35/781415235.db2.gz DOWSQXXVWBHOKQ-UHFFFAOYSA-N -1 1 257.337 2.922 20 0 CFADMM COC(=O)c1nc2ccc(-c3cccc4cc[nH]c43)nc2[n-]1 ZINC001242363761 781438097 /nfs/dbraw/zinc/43/80/97/781438097.db2.gz UKYXYOZAKOGAOQ-UHFFFAOYSA-N -1 1 292.298 2.893 20 0 CFADMM Cn1cc(-c2cccc(Cl)c2[O-])cc(F)c1=O ZINC001242367529 781438870 /nfs/dbraw/zinc/43/88/70/781438870.db2.gz OSZNNKCLUUHIBR-UHFFFAOYSA-N -1 1 253.660 2.550 20 0 CFADMM [O-]c1c(Cl)cccc1-c1cnc(N2CCC2)nc1 ZINC001242366799 781439633 /nfs/dbraw/zinc/43/96/33/781439633.db2.gz UFAMEOOYXRETGV-UHFFFAOYSA-N -1 1 261.712 2.713 20 0 CFADMM COc1ccc(C(=O)[O-])cc1-c1cccc2cncn21 ZINC001242391979 781461469 /nfs/dbraw/zinc/46/14/69/781461469.db2.gz IFWVCIWCOBVOEH-UHFFFAOYSA-N -1 1 268.272 2.708 20 0 CFADMM O=C1Cc2cc(-c3cccc(F)c3Cl)ccc2C(=O)[N-]1 ZINC001242575508 781610220 /nfs/dbraw/zinc/61/02/20/781610220.db2.gz GTLFXPVETADLOW-UHFFFAOYSA-N -1 1 289.693 2.959 20 0 CFADMM CCOC(=O)c1cnc(-c2cccc([O-])c2Cl)nc1 ZINC001242797461 781764113 /nfs/dbraw/zinc/76/41/13/781764113.db2.gz BJEAEBRAXMMJHR-UHFFFAOYSA-N -1 1 278.695 2.679 20 0 CFADMM Cn1ccc2cnc(-c3cccc([O-])c3Cl)nc21 ZINC001242797548 781764812 /nfs/dbraw/zinc/76/48/12/781764812.db2.gz KELKCXGAHBFZRD-UHFFFAOYSA-N -1 1 259.696 2.994 20 0 CFADMM NC(=S)c1cccnc1-c1cccc([O-])c1Cl ZINC001242801087 781765140 /nfs/dbraw/zinc/76/51/40/781765140.db2.gz OQHXRDMCOUCSGP-UHFFFAOYSA-N -1 1 264.737 2.742 20 0 CFADMM CCn1cnc2c1ncnc2-c1cccc([O-])c1Cl ZINC001242800027 781765608 /nfs/dbraw/zinc/76/56/08/781765608.db2.gz BXJOCHMWUNXJFZ-UHFFFAOYSA-N -1 1 274.711 2.872 20 0 CFADMM NC(=O)Cc1ccc(-c2cccc([O-])c2Cl)cc1 ZINC001242800218 781766026 /nfs/dbraw/zinc/76/60/26/781766026.db2.gz DVJPGNYOICVRKV-UHFFFAOYSA-N -1 1 261.708 2.740 20 0 CFADMM Cc1c(C(N)=O)cncc1-c1cccc([O-])c1Cl ZINC001242801372 781766867 /nfs/dbraw/zinc/76/68/67/781766867.db2.gz ZBPSZACVTWZYOI-UHFFFAOYSA-N -1 1 262.696 2.515 20 0 CFADMM CON(C)C(=O)c1ccc(-c2cccc([O-])c2Cl)cn1 ZINC001242802039 781767219 /nfs/dbraw/zinc/76/72/19/781767219.db2.gz NQINGARHVAYOCB-UHFFFAOYSA-N -1 1 292.722 2.741 20 0 CFADMM Cc1nccn1-c1cncc(-c2cccc([O-])c2Cl)n1 ZINC001242801514 781767904 /nfs/dbraw/zinc/76/79/04/781767904.db2.gz SHNLOBATMFQOEM-UHFFFAOYSA-N -1 1 286.722 2.997 20 0 CFADMM COC(=O)[C@@H](C)c1ncc(-c2cccc([O-])c2Cl)cn1 ZINC001242803156 781769155 /nfs/dbraw/zinc/76/91/55/781769155.db2.gz MMOCWBDEHUZFOA-QMMMGPOBSA-N -1 1 292.722 2.779 20 0 CFADMM COC(=O)c1nc2ccc(-c3cccc([S-])c3)nc2[nH]1 ZINC001242867709 781813193 /nfs/dbraw/zinc/81/31/93/781813193.db2.gz NQQJHJHZPHRICZ-UHFFFAOYSA-N -1 1 285.328 2.700 20 0 CFADMM COCCC[C@@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000820636810 781872234 /nfs/dbraw/zinc/87/22/34/781872234.db2.gz ZAOJVUDRRITBQV-MRVPVSSYSA-N -1 1 273.279 2.672 20 0 CFADMM C[C@H]1c2sccc2CCN1C(=O)c1ncccc1[O-] ZINC000712278363 781912827 /nfs/dbraw/zinc/91/28/27/781912827.db2.gz QJQZCUJFROUVHH-VIFPVBQESA-N -1 1 274.345 2.608 20 0 CFADMM CCC(CC)n1ccc(CN2CCC[C@H](C(=O)[O-])C2)n1 ZINC000069996862 346904464 /nfs/dbraw/zinc/90/44/64/346904464.db2.gz UDGRVKITQZEVRH-LBPRGKRZSA-N -1 1 279.384 2.541 20 0 CFADMM CCC(CC)n1ccc(CN2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000069997075 346904622 /nfs/dbraw/zinc/90/46/22/346904622.db2.gz NDBSSRYZFZYTDR-HNNXBMFYSA-N -1 1 279.384 2.541 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1C ZINC000126170414 187221586 /nfs/dbraw/zinc/22/15/86/187221586.db2.gz OJFURFDNAQANCI-UHFFFAOYSA-N -1 1 293.392 2.951 20 0 CFADMM COc1cc(Cl)c(C)cc1NC(=O)c1n[nH]c(C)c1[O-] ZINC000676706087 539467081 /nfs/dbraw/zinc/46/70/81/539467081.db2.gz CHSDRFHESBJFHD-UHFFFAOYSA-N -1 1 295.726 2.646 20 0 CFADMM COCc1nc(C)c(C(=O)Nc2c([O-])cccc2F)s1 ZINC000089493309 539465939 /nfs/dbraw/zinc/46/59/39/539465939.db2.gz XSOQWSFECQBKGM-UHFFFAOYSA-N -1 1 296.323 2.695 20 0 CFADMM Cc1ccc2[nH]cc(C(=O)[N-]OCC(C)C)c(=O)c2c1 ZINC000273251370 192088657 /nfs/dbraw/zinc/08/86/57/192088657.db2.gz RUDPBTGRWDKJFE-UHFFFAOYSA-N -1 1 274.320 2.566 20 0 CFADMM CC(C)(C)n1cc(CNCc2cccc(C(=O)[O-])c2)cn1 ZINC000666584364 539473595 /nfs/dbraw/zinc/47/35/95/539473595.db2.gz XWZICKAZAQMRDR-UHFFFAOYSA-N -1 1 287.363 2.626 20 0 CFADMM O=C(c1ncccc1[O-])N(Cc1ccccc1)C1CC1 ZINC000153529532 232221406 /nfs/dbraw/zinc/22/14/06/232221406.db2.gz RQPMAKHBIXKQSH-UHFFFAOYSA-N -1 1 268.316 2.592 20 0 CFADMM CN(Cc1cn[nH]c1)C(=O)c1ccc2ccccc2c1[O-] ZINC000070229335 539488479 /nfs/dbraw/zinc/48/84/79/539488479.db2.gz JBIVGBWFALVQOA-UHFFFAOYSA-N -1 1 281.315 2.541 20 0 CFADMM COC(C)(C)C[C@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000173825618 232282647 /nfs/dbraw/zinc/28/26/47/232282647.db2.gz GYIZQQPHGNFDHX-VIFPVBQESA-N -1 1 285.771 2.979 20 0 CFADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(O)c1 ZINC000175214741 232308348 /nfs/dbraw/zinc/30/83/48/232308348.db2.gz FDXFGYVCEYQNGH-SECBINFHSA-N -1 1 275.279 2.728 20 0 CFADMM Cc1cccc2c(CCNC(=O)c3cncc([O-])c3)c[nH]c21 ZINC000175484034 232313474 /nfs/dbraw/zinc/31/34/74/232313474.db2.gz RXPFBSXMSJHQBE-UHFFFAOYSA-N -1 1 295.342 2.549 20 0 CFADMM Cc1nn(C)c(C)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000085204503 178972646 /nfs/dbraw/zinc/97/26/46/178972646.db2.gz XOFNIKPSZUALDB-UHFFFAOYSA-N -1 1 279.727 2.648 20 0 CFADMM C[C@@H](Cn1cccn1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000031391348 346294329 /nfs/dbraw/zinc/29/43/29/346294329.db2.gz RBFGMIDOHOSQOJ-LBPRGKRZSA-N -1 1 295.342 2.560 20 0 CFADMM O=c1nc(-c2ccon2)[n-]c2sc3c(c21)CCCS3 ZINC000080618744 347370421 /nfs/dbraw/zinc/37/04/21/347370421.db2.gz QDNXYLCUMORNHX-UHFFFAOYSA-N -1 1 291.357 2.678 20 0 CFADMM CC(C)[C@@H](O)CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000081796038 347436204 /nfs/dbraw/zinc/43/62/04/347436204.db2.gz DAVZNWIECHBBTB-HNNXBMFYSA-N -1 1 287.359 2.682 20 0 CFADMM O=C(N[C@H]1CCc2c1cccc2O)c1cc(F)ccc1[O-] ZINC000081958792 347440750 /nfs/dbraw/zinc/44/07/50/347440750.db2.gz WKLOXGYBRAQWKR-ZDUSSCGKSA-N -1 1 287.290 2.654 20 0 CFADMM Cc1ccc2nc(-c3ccc(Cl)cn3)[n-]c(=O)c2c1 ZINC000086963746 347489262 /nfs/dbraw/zinc/48/92/62/347489262.db2.gz NJWBFTPTJCYWAO-UHFFFAOYSA-N -1 1 271.707 2.947 20 0 CFADMM CCOc1ccc(OC)cc1[N-]S(=O)(=O)CCC1CC1 ZINC000092276174 347615566 /nfs/dbraw/zinc/61/55/66/347615566.db2.gz RICKBYVIFKAZIB-UHFFFAOYSA-N -1 1 299.392 2.636 20 0 CFADMM Clc1cccc(Cl)c1SCc1nn[n-]n1 ZINC000095218498 347697654 /nfs/dbraw/zinc/69/76/54/347697654.db2.gz JZPLWGDJYYAFGG-UHFFFAOYSA-N -1 1 261.137 2.799 20 0 CFADMM COc1cc2nc(-c3ccc(C)o3)[n-]c(=O)c2cc1OC ZINC000119737931 347803753 /nfs/dbraw/zinc/80/37/53/347803753.db2.gz HGYJMBUYTKLTBI-UHFFFAOYSA-N -1 1 286.287 2.509 20 0 CFADMM CC1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CCCCC1 ZINC000129460876 347862148 /nfs/dbraw/zinc/86/21/48/347862148.db2.gz WKCGQKJASPWHNJ-UHFFFAOYSA-N -1 1 276.262 2.732 20 0 CFADMM CC(C)C[C@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000131800198 347880982 /nfs/dbraw/zinc/88/09/82/347880982.db2.gz VJSJVOBHXFWNIE-GFCCVEGCSA-N -1 1 299.374 2.574 20 0 CFADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2c(F)cccc2F)C1 ZINC000150076860 347955149 /nfs/dbraw/zinc/95/51/49/347955149.db2.gz OICNSMMNXCAWEA-ZJUUUORDSA-N -1 1 269.291 2.507 20 0 CFADMM C[C@H]1CN(C(=O)c2cncc([O-])c2)c2ccccc21 ZINC000171863894 348082461 /nfs/dbraw/zinc/08/24/61/348082461.db2.gz NKRXCZOYFNDEKR-JTQLQIEISA-N -1 1 254.289 2.551 20 0 CFADMM O=C(Nc1cccc2ccncc21)c1ccc(O)cc1[O-] ZINC000228308139 348194799 /nfs/dbraw/zinc/19/47/99/348194799.db2.gz BFLBMYYNVHSWQE-UHFFFAOYSA-N -1 1 280.283 2.898 20 0 CFADMM Cc1ccc(F)c(CN2CCSC[C@@H]2CC(=O)[O-])c1 ZINC000235903641 348229930 /nfs/dbraw/zinc/22/99/30/348229930.db2.gz FMMSJAFMVOUKNS-LBPRGKRZSA-N -1 1 283.368 2.526 20 0 CFADMM Cc1ccsc1CN(C)Cc1ccoc1C(=O)[O-] ZINC000258841829 348307831 /nfs/dbraw/zinc/30/78/31/348307831.db2.gz XRQQSVOEPMWYLC-UHFFFAOYSA-N -1 1 265.334 2.980 20 0 CFADMM O=C(N[C@@H](C1CC1)C1CCC1)c1cc(F)ccc1[O-] ZINC000325204094 348440492 /nfs/dbraw/zinc/44/04/92/348440492.db2.gz KEJBSVJCDLRSPN-CQSZACIVSA-N -1 1 263.312 2.840 20 0 CFADMM CC(C)(NC(=O)c1cc(F)ccc1[O-])C(F)(F)F ZINC000393855840 348547042 /nfs/dbraw/zinc/54/70/42/348547042.db2.gz RKULLNVABKIONK-UHFFFAOYSA-N -1 1 265.206 2.602 20 0 CFADMM CO[C@H](C)c1nc(=NC[C@H]2CC3CCC2CC3)s[n-]1 ZINC000400110016 348572130 /nfs/dbraw/zinc/57/21/30/348572130.db2.gz JQESUFSCJCOWNH-HBIQZDMRSA-N -1 1 281.425 2.906 20 0 CFADMM CCCC[C@H](C)C(=O)Nc1[nH]c(C)nc1C(=O)OCC ZINC000584878205 348725149 /nfs/dbraw/zinc/72/51/49/348725149.db2.gz WHSFCZIZDJJFTE-VIFPVBQESA-N -1 1 281.356 2.660 20 0 CFADMM CC(C)N(Cc1ccco1)Cc1ccc(C(=O)[O-])o1 ZINC000584724524 348709135 /nfs/dbraw/zinc/70/91/35/348709135.db2.gz DNTBLRKKNLGYTE-UHFFFAOYSA-N -1 1 263.293 2.981 20 0 CFADMM COC(=O)[C@H]1CCCCCN1Cc1cccc([O-])c1Cl ZINC000590361564 348897576 /nfs/dbraw/zinc/89/75/76/348897576.db2.gz KFJLDIOTDRNYAT-GFCCVEGCSA-N -1 1 297.782 2.963 20 0 CFADMM COC(=O)[C@@H](N=c1nc(C2CCCC2)[n-]s1)C(C)(C)C ZINC000591460414 349024735 /nfs/dbraw/zinc/02/47/35/349024735.db2.gz SMIOQEFGBXXECS-SNVBAGLBSA-N -1 1 297.424 2.617 20 0 CFADMM CCC(CC)[C@@H](C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000341784808 535099697 /nfs/dbraw/zinc/09/96/97/535099697.db2.gz SPAWDGJBNYDGAD-ZCFIWIBFSA-N -1 1 278.278 2.834 20 0 CFADMM CCN(CCSC)C(=O)c1ncc2ccccc2c1[O-] ZINC000597808331 350138266 /nfs/dbraw/zinc/13/82/66/350138266.db2.gz NOJYPEWVZUEDTM-UHFFFAOYSA-N -1 1 290.388 2.766 20 0 CFADMM CCCN(CC(F)F)C(=O)c1cc(F)ccc1[O-] ZINC000271259471 191035450 /nfs/dbraw/zinc/03/54/50/191035450.db2.gz KKJQCJHSYMDOSU-UHFFFAOYSA-N -1 1 261.243 2.649 20 0 CFADMM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000104761145 186021247 /nfs/dbraw/zinc/02/12/47/186021247.db2.gz YVHZQGNWIQAMMV-APPZFPTMSA-N -1 1 293.310 2.571 20 0 CFADMM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000105621190 186065519 /nfs/dbraw/zinc/06/55/19/186065519.db2.gz CSZINWAPXYIUED-HQJQHLMTSA-N -1 1 293.310 2.571 20 0 CFADMM COC[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(C)o1 ZINC000091992907 180300654 /nfs/dbraw/zinc/30/06/54/180300654.db2.gz NGENJGUDJHUILH-GFCCVEGCSA-N -1 1 293.294 2.550 20 0 CFADMM CN(C[C@H]1CCCOC1)C(=O)c1ccc(Cl)cc1[O-] ZINC000107066002 186158899 /nfs/dbraw/zinc/15/88/99/186158899.db2.gz QSQRXMWNGMSLCJ-SNVBAGLBSA-N -1 1 283.755 2.544 20 0 CFADMM CCc1nc(S[C@H](C(=O)OC)C(C)(C)C)[n-]c(=O)c1C ZINC000600546302 350568830 /nfs/dbraw/zinc/56/88/30/350568830.db2.gz CXDFUJWLINAJPR-SNVBAGLBSA-N -1 1 298.408 2.733 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1c1ccsc1 ZINC000109042449 186240846 /nfs/dbraw/zinc/24/08/46/186240846.db2.gz ASRVDECVHURSIC-CYBMUJFWSA-N -1 1 274.345 2.826 20 0 CFADMM CN(Cc1ccc(Cl)cc1)C(=O)c1cncc([O-])c1 ZINC000109040774 186240918 /nfs/dbraw/zinc/24/09/18/186240918.db2.gz IRARKSBAYUUTCC-UHFFFAOYSA-N -1 1 276.723 2.713 20 0 CFADMM Cc1ccc([C@@H](C)NC(=O)c2cncc([O-])c2)cc1 ZINC000109040930 186241422 /nfs/dbraw/zinc/24/14/22/186241422.db2.gz RXWARYCJOACJQJ-LLVKDONJSA-N -1 1 256.305 2.587 20 0 CFADMM Cc1cc(OCC(=O)Nc2ccncc2[O-])ccc1Cl ZINC000109891018 186277632 /nfs/dbraw/zinc/27/76/32/186277632.db2.gz SINCWHGKMNNRKT-UHFFFAOYSA-N -1 1 292.722 2.767 20 0 CFADMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccncc2[O-])c1 ZINC000109889761 186277780 /nfs/dbraw/zinc/27/77/80/186277780.db2.gz IKMBNDZDWBZQGA-NSHDSACASA-N -1 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372251061 /nfs/dbraw/zinc/25/10/61/372251061.db2.gz OXQLNXQCHBKBAP-UHFFFAOYSA-N -1 1 292.345 2.815 20 0 CFADMM CN(Cc1nc(C(=O)[O-])cs1)C1CCCCC1 ZINC000031945146 372423959 /nfs/dbraw/zinc/42/39/59/372423959.db2.gz RLBICZWRZHOULF-UHFFFAOYSA-N -1 1 254.355 2.606 20 0 CFADMM CC[C@@H]1COCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000036327505 372571991 /nfs/dbraw/zinc/57/19/91/372571991.db2.gz UNJOOWJRGPOGEJ-CYBMUJFWSA-N -1 1 285.343 2.796 20 0 CFADMM COc1cccc2c1CCN(Cc1ccc(C(=O)[O-])cc1)C2 ZINC000263575889 383684371 /nfs/dbraw/zinc/68/43/71/383684371.db2.gz PRLIIQWVRCCWRV-UHFFFAOYSA-N -1 1 297.354 2.952 20 0 CFADMM CCO[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000042327469 372909688 /nfs/dbraw/zinc/90/96/88/372909688.db2.gz UNYAUNARYNXROF-NSHDSACASA-N -1 1 283.755 2.687 20 0 CFADMM CCc1onc(C)c1[N-]C(=O)c1cnc(C2CC2)o1 ZINC000640043582 383687032 /nfs/dbraw/zinc/68/70/32/383687032.db2.gz UQWPDXWHXLJFOT-UHFFFAOYSA-N -1 1 261.281 2.663 20 0 CFADMM CO[C@H](C)c1nc(=NCC2CCC(F)CC2)s[n-]1 ZINC000645390173 383687516 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376075259 /nfs/dbraw/zinc/07/52/59/376075259.db2.gz AZFMECYGSABPAZ-MRXNPFEDSA-N -1 1 272.348 2.750 20 0 CFADMM O=C(C[C@@H]1OCCc2ccccc21)[N-]OCc1ccccc1 ZINC000115320721 376125508 /nfs/dbraw/zinc/12/55/08/376125508.db2.gz QEWULAQYTACDCC-KRWDZBQOSA-N -1 1 297.354 2.939 20 0 CFADMM Cc1nc(SCc2noc3c2CCCC3)[n-]c(=O)c1C ZINC000679009728 542109272 /nfs/dbraw/zinc/10/92/72/542109272.db2.gz RLHRNLZPHNAVBD-UHFFFAOYSA-N -1 1 291.376 2.958 20 0 CFADMM CC(=O)Nc1ccc([O-])c(C(=O)N(C)c2ccccc2)c1 ZINC000121638727 376875311 /nfs/dbraw/zinc/87/53/11/376875311.db2.gz QQEPXMDJPUBLPN-UHFFFAOYSA-N -1 1 284.315 2.627 20 0 CFADMM COCCCCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000121817733 376912158 /nfs/dbraw/zinc/91/21/58/376912158.db2.gz QBMWXTIPNAGDGC-UHFFFAOYSA-N -1 1 271.744 2.592 20 0 CFADMM C[C@@H](C[N-]C(=O)C(F)(F)F)c1nc(-c2ccccc2)no1 ZINC000125303681 377139885 /nfs/dbraw/zinc/13/98/85/377139885.db2.gz MUUIVCARCCEVNI-QMMMGPOBSA-N -1 1 299.252 2.519 20 0 CFADMM Fc1ccc(CNC2(c3nnn[n-]3)CCCC2)cc1Cl ZINC000679390537 542184816 /nfs/dbraw/zinc/18/48/16/542184816.db2.gz GPNYHOGNLPVNDH-UHFFFAOYSA-N -1 1 295.749 2.551 20 0 CFADMM C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1ccc([O-])cc1F ZINC000232386788 299491449 /nfs/dbraw/zinc/49/14/49/299491449.db2.gz USABOJPXLNKLRZ-RYUDHWBXSA-N -1 1 295.354 2.687 20 0 CFADMM CC[C@H]1CCCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000130818821 377618003 /nfs/dbraw/zinc/61/80/03/377618003.db2.gz JILLFLMXGNCRPH-LBPRGKRZSA-N -1 1 299.374 2.906 20 0 CFADMM CC[C@H]1CCCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000130818821 377618010 /nfs/dbraw/zinc/61/80/10/377618010.db2.gz JILLFLMXGNCRPH-LBPRGKRZSA-N -1 1 299.374 2.906 20 0 CFADMM O=S(=O)([N-][C@@H]1C=CCCC1)c1c(F)cccc1Cl ZINC000133048767 377898757 /nfs/dbraw/zinc/89/87/57/377898757.db2.gz CFVVCVUCPSZMRK-SECBINFHSA-N -1 1 289.759 2.866 20 0 CFADMM CCCN(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000133321945 377921317 /nfs/dbraw/zinc/92/13/17/377921317.db2.gz NGVGILZNYHJJQP-UHFFFAOYSA-N -1 1 272.142 2.637 20 0 CFADMM O=S(=O)(Cc1csc(C2CC2)n1)c1ccc([O-])cc1 ZINC000133698540 377950408 /nfs/dbraw/zinc/95/04/08/377950408.db2.gz GHFSPZFGTQLMBU-UHFFFAOYSA-N -1 1 295.385 2.700 20 0 CFADMM Cc1nn(-c2ccccc2)c(C)c1C[N-]C(=O)C(F)(F)F ZINC000141609899 378243349 /nfs/dbraw/zinc/24/33/49/378243349.db2.gz LARSUGLSBNASFI-UHFFFAOYSA-N -1 1 297.280 2.668 20 0 CFADMM O=C(NCCCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000147698647 378253295 /nfs/dbraw/zinc/25/32/95/378253295.db2.gz LJUYAHMQYFLTBS-UHFFFAOYSA-N -1 1 265.206 2.604 20 0 CFADMM Cc1cc(C)cc(C[S@](=O)C=C([O-])c2ccc[nH]2)c1 ZINC000151435877 378327054 /nfs/dbraw/zinc/32/70/54/378327054.db2.gz QHRDWZDTFATVLB-LJQANCHMSA-N -1 1 275.373 2.763 20 0 CFADMM Cc1ccc(C)c(CN2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)c1 ZINC000329595645 378466432 /nfs/dbraw/zinc/46/64/32/378466432.db2.gz OXYDGJIJOAAHMU-CQSZACIVSA-N -1 1 286.379 2.854 20 0 CFADMM CC[C@H]1CCCCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000153197036 378480165 /nfs/dbraw/zinc/48/01/65/378480165.db2.gz JLQMGOAFHYQQFG-LBPRGKRZSA-N -1 1 299.374 2.718 20 0 CFADMM COc1cc(C(=O)N[C@H]2CCC[C@@H]2C)cc(Cl)c1[O-] ZINC000153767561 378509915 /nfs/dbraw/zinc/50/99/15/378509915.db2.gz BAYSMAKTARHQRA-KWQFWETISA-N -1 1 283.755 2.973 20 0 CFADMM COc1cc(C(=O)N[C@H]2C=CCCC2)cc(Cl)c1[O-] ZINC000153978771 378529929 /nfs/dbraw/zinc/52/99/29/378529929.db2.gz WGMHSXHXOARVMX-JTQLQIEISA-N -1 1 281.739 2.893 20 0 CFADMM CCOc1ccccc1CNC(=O)c1ccc([O-])cc1F ZINC000154631838 378586242 /nfs/dbraw/zinc/58/62/42/378586242.db2.gz JTRANMMMFRBJPL-UHFFFAOYSA-N -1 1 289.306 2.860 20 0 CFADMM Cc1cncc(CSc2nc(C)c(C)c(=O)[n-]2)c1 ZINC000331293481 378665295 /nfs/dbraw/zinc/66/52/95/378665295.db2.gz XNUFZJFIZKRYDU-UHFFFAOYSA-N -1 1 261.350 2.795 20 0 CFADMM CCc1cc(=O)[n-]c(SCC2(C(=O)OC)CCCC2)n1 ZINC000331332864 378671794 /nfs/dbraw/zinc/67/17/94/378671794.db2.gz PDDOXCGLLBNDBW-UHFFFAOYSA-N -1 1 296.392 2.570 20 0 CFADMM COC(=O)C1(CSc2nc(C)c(C)c(=O)[n-]2)CCCC1 ZINC000331350089 378674123 /nfs/dbraw/zinc/67/41/23/378674123.db2.gz YFBNUINCDPOODZ-UHFFFAOYSA-N -1 1 296.392 2.625 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@](C)(c3ccccc3)C2)c([O-])c1 ZINC000331198603 378648831 /nfs/dbraw/zinc/64/88/31/378648831.db2.gz MHPLALBRLWUTFS-SFHVURJKSA-N -1 1 296.370 2.899 20 0 CFADMM Cc1cccc(N(C)C(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000334214183 378935536 /nfs/dbraw/zinc/93/55/36/378935536.db2.gz QBTKYOJPAGONEH-UHFFFAOYSA-N -1 1 269.300 2.546 20 0 CFADMM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@H](C(=O)[O-])C1 ZINC000164641686 379021717 /nfs/dbraw/zinc/02/17/17/379021717.db2.gz IIHMQTXAHWZOOG-QWRGUYRKSA-N -1 1 280.368 2.830 20 0 CFADMM CN(C[C@H]1CC=CCC1)C(=O)c1c([O-])cccc1F ZINC000335319719 379081357 /nfs/dbraw/zinc/08/13/57/379081357.db2.gz XBNFXPWQICAIBJ-NSHDSACASA-N -1 1 263.312 2.960 20 0 CFADMM Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000170808058 379166889 /nfs/dbraw/zinc/16/68/89/379166889.db2.gz TZJURHVDTFWQAO-QMMMGPOBSA-N -1 1 293.754 2.579 20 0 CFADMM Cc1cccnc1-c1nc2ccc(F)cc2c(=O)[n-]1 ZINC000048606618 412910600 /nfs/dbraw/zinc/91/06/00/412910600.db2.gz UFSRXHUTSVOERW-UHFFFAOYSA-N -1 1 255.252 2.845 20 0 CFADMM C[C@H]1CCN(Cc2cc(F)ccc2F)C[C@@H]1C(=O)[O-] ZINC000335424669 379273209 /nfs/dbraw/zinc/27/32/09/379273209.db2.gz PIBFENGOHMIDAJ-CABZTGNLSA-N -1 1 269.291 2.507 20 0 CFADMM C[C@H]1CCN(Cc2cc(F)c(F)c(F)c2)C[C@H]1C(=O)[O-] ZINC000335444037 379306614 /nfs/dbraw/zinc/30/66/14/379306614.db2.gz QBIYZFUAMORSMJ-WCBMZHEXSA-N -1 1 287.281 2.647 20 0 CFADMM CC[C@@H]1CC[C@H](C)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000334504052 379407941 /nfs/dbraw/zinc/40/79/41/379407941.db2.gz DMQFAINSHWFBHG-NWDGAFQWSA-N -1 1 299.374 2.574 20 0 CFADMM O=C(N[C@@H]1CCC[C@H](F)C1)c1c(F)ccc([O-])c1F ZINC000335523783 379448876 /nfs/dbraw/zinc/44/88/76/379448876.db2.gz XNNFPAOBNREHPZ-JGVFFNPUSA-N -1 1 273.254 2.681 20 0 CFADMM O=C(NC[C@H]1CCCc2ccccc21)c1cncc([O-])c1 ZINC000171862272 379422865 /nfs/dbraw/zinc/42/28/65/379422865.db2.gz VLLLIHPBGZGSEB-CYBMUJFWSA-N -1 1 282.343 2.637 20 0 CFADMM CC(C)Oc1ccccc1CNC(=O)c1cncc([O-])c1 ZINC000171865452 379424753 /nfs/dbraw/zinc/42/47/53/379424753.db2.gz CYHUQFPGHHZGJJ-UHFFFAOYSA-N -1 1 286.331 2.504 20 0 CFADMM O=C(NCCCc1cccc(Cl)c1)c1cncc([O-])c1 ZINC000171867672 379425615 /nfs/dbraw/zinc/42/56/15/379425615.db2.gz DITLNGFFIYSKFJ-UHFFFAOYSA-N -1 1 290.750 2.803 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCCC2(CCCCC2)C1 ZINC000171880055 379427415 /nfs/dbraw/zinc/42/74/15/379427415.db2.gz VBDNGTXSGXGUPL-UHFFFAOYSA-N -1 1 274.364 2.974 20 0 CFADMM C[C@@H]1CC[C@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000335552910 379498631 /nfs/dbraw/zinc/49/86/31/379498631.db2.gz YXKNLCNUDBGMMR-GMSGAONNSA-N -1 1 284.153 2.683 20 0 CFADMM O=S(=O)([N-][C@H]1CC[C@@H](F)C1)c1sccc1Cl ZINC000334536320 379476829 /nfs/dbraw/zinc/47/68/29/379476829.db2.gz LMLZZOSCLFKPRL-RQJHMYQMSA-N -1 1 283.777 2.570 20 0 CFADMM C[C@]1(C(=O)Nc2ccc([O-])c(F)c2F)CCCCO1 ZINC000334562918 379533652 /nfs/dbraw/zinc/53/36/52/379533652.db2.gz HEUAVKYAWMKCBH-CYBMUJFWSA-N -1 1 271.263 2.568 20 0 CFADMM CC[C@@H]1COCCN1Cc1cccc([O-])c1Cl ZINC000335660920 379678178 /nfs/dbraw/zinc/67/81/78/379678178.db2.gz IIGTXCBPPHJZKX-LLVKDONJSA-N -1 1 255.745 2.656 20 0 CFADMM C[C@@H]1CCN(C(=O)c2cncc([O-])c2)[C@@H](c2ccco2)C1 ZINC000173355869 379730373 /nfs/dbraw/zinc/73/03/73/379730373.db2.gz UHVFBACDXXDTAH-BXUZGUMPSA-N -1 1 286.331 2.994 20 0 CFADMM CS(=O)(=O)[N-]c1ccc(-c2ccc(Cl)s2)cn1 ZINC000335697621 379741073 /nfs/dbraw/zinc/74/10/73/379741073.db2.gz RTNTVYXPCXKBFT-UHFFFAOYSA-N -1 1 288.781 2.835 20 0 CFADMM C[C@@H]1CC=C(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000334695726 379781827 /nfs/dbraw/zinc/78/18/27/379781827.db2.gz GJOHZUDBOQJTQK-ZCFIWIBFSA-N -1 1 274.246 2.508 20 0 CFADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCCOC1 ZINC000335755772 379837961 /nfs/dbraw/zinc/83/79/61/379837961.db2.gz XCDXKTHFVRHXJH-VHSXEESVSA-N -1 1 283.755 2.591 20 0 CFADMM CCS(=O)(=O)[N-]c1ccc2cccc(Cl)c2n1 ZINC000335761213 379845585 /nfs/dbraw/zinc/84/55/85/379845585.db2.gz ALIZGTDAPJTWML-UHFFFAOYSA-N -1 1 270.741 2.650 20 0 CFADMM CC1(C)C[C@H](CNC(=O)c2c(F)ccc([O-])c2F)CCO1 ZINC000334741796 379861403 /nfs/dbraw/zinc/86/14/03/379861403.db2.gz JCKYIUNCQCXRIM-SECBINFHSA-N -1 1 299.317 2.605 20 0 CFADMM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1ncccc1[O-] ZINC000334743759 379865400 /nfs/dbraw/zinc/86/54/00/379865400.db2.gz MORBDKQKLMHIMK-BXUZGUMPSA-N -1 1 262.353 2.540 20 0 CFADMM COc1cc(C(=O)N2CCC=C(C)C2)cc(Cl)c1[O-] ZINC000335743080 379816684 /nfs/dbraw/zinc/81/66/84/379816684.db2.gz FWLFBPXWSLCOII-UHFFFAOYSA-N -1 1 281.739 2.846 20 0 CFADMM CC1(CC(F)(F)F)CN(C(=O)c2ccc([O-])cc2F)C1 ZINC000334765212 379908820 /nfs/dbraw/zinc/90/88/20/379908820.db2.gz DELKYFVBGZVPQI-UHFFFAOYSA-N -1 1 291.244 2.946 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000334757019 379892374 /nfs/dbraw/zinc/89/23/74/379892374.db2.gz NBZJNFZVSASVRY-ZFWWWQNUSA-N -1 1 275.323 2.792 20 0 CFADMM C[C@H]1CCCC[C@@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000335131147 379978026 /nfs/dbraw/zinc/97/80/26/379978026.db2.gz SYKCDQYOKVJNHO-BQBZGAKWSA-N -1 1 276.262 2.588 20 0 CFADMM O=C(c1cncc([O-])c1)N1CC2(CCC2)c2ccccc21 ZINC000334877622 379938130 /nfs/dbraw/zinc/93/81/30/379938130.db2.gz OQAJZFZOAIGYDM-UHFFFAOYSA-N -1 1 280.327 2.869 20 0 CFADMM C[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)C1CCOCC1 ZINC000335214546 380020193 /nfs/dbraw/zinc/02/01/93/380020193.db2.gz FIALRYLOWBASQI-MRVPVSSYSA-N -1 1 285.290 2.672 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c([O-])c1 ZINC000335222980 380032607 /nfs/dbraw/zinc/03/26/07/380032607.db2.gz JXFPZJAPTRNEDD-ZBEGNZNMSA-N -1 1 274.364 2.748 20 0 CFADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])[C@@H]2CCC[C@H]2O1 ZINC000335231763 380049306 /nfs/dbraw/zinc/04/93/06/380049306.db2.gz WGMIQNUXZSBSHL-TZMCWYRMSA-N -1 1 293.338 2.703 20 0 CFADMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1nc2ccccc2[nH]1 ZINC000175609771 380097637 /nfs/dbraw/zinc/09/76/37/380097637.db2.gz RLRCBFMCSOZCFP-LURJTMIESA-N -1 1 289.232 2.641 20 0 CFADMM Cc1ccsc1S(=O)(=O)[N-]C1(C(F)(F)F)CCC1 ZINC000336017286 380242425 /nfs/dbraw/zinc/24/24/25/380242425.db2.gz VUUIDOYPICIYDD-UHFFFAOYSA-N -1 1 299.339 2.820 20 0 CFADMM Cn1cc(C(C)(C)C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000336506157 380381812 /nfs/dbraw/zinc/38/18/12/380381812.db2.gz KNZMPEJOZQOIHG-UHFFFAOYSA-N -1 1 293.754 2.695 20 0 CFADMM COc1cc(C(=O)N[C@H]2CC=CCC2)cc(Cl)c1[O-] ZINC000336540082 380438144 /nfs/dbraw/zinc/43/81/44/380438144.db2.gz ZJWVJSHKJBVRJK-JTQLQIEISA-N -1 1 281.739 2.893 20 0 CFADMM CO[C@H](C)c1nc(=NC[C@H]2CCC[C@H](C)C2)s[n-]1 ZINC000336785358 380629918 /nfs/dbraw/zinc/62/99/18/380629918.db2.gz CWZLDOZYPPJFEH-AXFHLTTASA-N -1 1 269.414 2.906 20 0 CFADMM CC[C@@H](COC)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180575926 380677928 /nfs/dbraw/zinc/67/79/28/380677928.db2.gz HZMDENOTPVUQCX-VIFPVBQESA-N -1 1 291.269 2.566 20 0 CFADMM C[C@H]1CCC[C@@H](CNC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000287308875 380800882 /nfs/dbraw/zinc/80/08/82/380800882.db2.gz UHNQBMGTLVCIGA-NWDGAFQWSA-N -1 1 275.348 2.517 20 0 CFADMM C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cccc(O)c1Cl ZINC000295422380 380844760 /nfs/dbraw/zinc/84/47/60/380844760.db2.gz SHSZLHGDYJCSIO-CMPLNLGQSA-N -1 1 269.772 2.781 20 0 CFADMM CN(Cc1cc[nH]n1)C(=O)c1cc2ccccc2cc1[O-] ZINC000400055971 380852578 /nfs/dbraw/zinc/85/25/78/380852578.db2.gz ZEMXVMKPYZJMHA-UHFFFAOYSA-N -1 1 281.315 2.541 20 0 CFADMM O=S(=O)([N-]c1cccc2c1CCO2)c1ccc(F)cc1 ZINC000358501752 380885400 /nfs/dbraw/zinc/88/54/00/380885400.db2.gz JSOPNFQPVADRGQ-UHFFFAOYSA-N -1 1 293.319 2.561 20 0 CFADMM C[C@@H]1CN(Cc2cccc([O-])c2Cl)[C@H](C)CO1 ZINC000295487338 380888959 /nfs/dbraw/zinc/88/89/59/380888959.db2.gz XLPFJHNXYJAUNK-NXEZZACHSA-N -1 1 255.745 2.655 20 0 CFADMM C[C@@H](c1ccco1)N(C(=O)c1cncc([O-])c1)C1CC1 ZINC000279247078 194351191 /nfs/dbraw/zinc/35/11/91/194351191.db2.gz RGQOKWVSDROCRG-JTQLQIEISA-N -1 1 272.304 2.746 20 0 CFADMM O=C(Nc1ccccc1-n1cccn1)c1ccc([O-])cc1F ZINC000181877772 380923816 /nfs/dbraw/zinc/92/38/16/380923816.db2.gz JKJGTCRGTIBTSX-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM Cc1cnc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c([O-])c1 ZINC000358629746 380978487 /nfs/dbraw/zinc/97/84/87/380978487.db2.gz MLMTUZKJOKVNQK-STQMWFEESA-N -1 1 286.306 2.521 20 0 CFADMM Cc1cnc(C(=O)N[C@H](c2ncccc2C)C(C)C)c([O-])c1 ZINC000358632202 380979976 /nfs/dbraw/zinc/97/99/76/380979976.db2.gz PEJLXGHQMMCIEN-AWEZNQCLSA-N -1 1 299.374 2.926 20 0 CFADMM C[C@@H](CCCCO)NC(=O)c1cc2ccccc2cc1[O-] ZINC000295546189 380932982 /nfs/dbraw/zinc/93/29/82/380932982.db2.gz SSPFILWWYPTOTR-LBPRGKRZSA-N -1 1 287.359 2.826 20 0 CFADMM C[C@@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)[C@@H]1C ZINC000289176978 381026005 /nfs/dbraw/zinc/02/60/05/381026005.db2.gz ACFAMPDGSSAFKO-HTQZYQBOSA-N -1 1 255.264 2.541 20 0 CFADMM CC[C@@H](NC(=O)c1ncccc1[O-])c1ccc(F)cc1F ZINC000358645257 380987340 /nfs/dbraw/zinc/98/73/40/380987340.db2.gz HKQVXOGXUGIVRX-GFCCVEGCSA-N -1 1 292.285 2.947 20 0 CFADMM CC(C)(CNC(=O)c1c([O-])cccc1F)c1ccccn1 ZINC000295639525 380991117 /nfs/dbraw/zinc/99/11/17/380991117.db2.gz ZXIGJVOKRRZSDN-UHFFFAOYSA-N -1 1 288.322 2.634 20 0 CFADMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H](C2CC2)O1 ZINC000279307148 194378016 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381346511 /nfs/dbraw/zinc/34/65/11/381346511.db2.gz WHXJWIZICZMSIJ-YFKPBYRVSA-N -1 1 267.634 2.726 20 0 CFADMM CCC[C@]1(CO)CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000290482491 381446943 /nfs/dbraw/zinc/44/69/43/381446943.db2.gz DEYBSWAFUGQJID-HNNXBMFYSA-N -1 1 297.782 2.670 20 0 CFADMM CC(C)(CNC(=O)C(=O)c1ccc([O-])cc1)C1CCC1 ZINC000296557248 381446949 /nfs/dbraw/zinc/44/69/49/381446949.db2.gz ZSAQHDVDXIXEMU-UHFFFAOYSA-N -1 1 275.348 2.517 20 0 CFADMM CCc1cccnc1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000342746543 381515204 /nfs/dbraw/zinc/51/52/04/381515204.db2.gz RPLOHZUMVQQFNA-UHFFFAOYSA-N -1 1 294.351 2.725 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2oc(=O)[nH]c2c1 ZINC000354983280 381550083 /nfs/dbraw/zinc/55/00/83/381550083.db2.gz XDAITRFVUCIDKP-UHFFFAOYSA-N -1 1 288.234 2.630 20 0 CFADMM O=C([N-]Cc1ccccc1-c1ccncc1)C(F)(F)F ZINC000370971814 381527365 /nfs/dbraw/zinc/52/73/65/381527365.db2.gz GGNRWYOUMLFIEX-UHFFFAOYSA-N -1 1 280.249 2.927 20 0 CFADMM CCc1cc(=O)[n-]c(SCc2ccncc2F)n1 ZINC000413003247 381532262 /nfs/dbraw/zinc/53/22/62/381532262.db2.gz HSNQXUPFKLIVPZ-UHFFFAOYSA-N -1 1 265.313 2.571 20 0 CFADMM FC(F)(F)c1nc(=NCCC[C@@H]2CCCCO2)s[n-]1 ZINC000342838104 381576849 /nfs/dbraw/zinc/57/68/49/381576849.db2.gz FWGRZBJTRAYUKQ-QMMMGPOBSA-N -1 1 295.330 2.740 20 0 CFADMM O=C(NCc1ccc(C(F)F)cc1)c1ncccc1[O-] ZINC000185491485 381649650 /nfs/dbraw/zinc/64/96/50/381649650.db2.gz KDMTTXTUFJRUFK-UHFFFAOYSA-N -1 1 278.258 2.655 20 0 CFADMM COc1ccc2c(c1NC(=O)c1cncc([O-])c1)CCC2 ZINC000355190164 381665367 /nfs/dbraw/zinc/66/53/67/381665367.db2.gz DVGNZTCWBPLPAS-UHFFFAOYSA-N -1 1 284.315 2.537 20 0 CFADMM CSCCCCNC(=O)c1c(F)ccc([O-])c1F ZINC000348743504 381691855 /nfs/dbraw/zinc/69/18/55/381691855.db2.gz XLWNWWQUXJQQDL-UHFFFAOYSA-N -1 1 275.320 2.543 20 0 CFADMM COCCC1(C)CN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000291185728 381700282 /nfs/dbraw/zinc/70/02/82/381700282.db2.gz KBZTYWHONVIOJU-UHFFFAOYSA-N -1 1 283.755 2.544 20 0 CFADMM Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@@H]3C(C)C)n2)o1 ZINC000185764623 381727209 /nfs/dbraw/zinc/72/72/09/381727209.db2.gz MXGQWHRQZQCJJL-ZJUUUORDSA-N -1 1 274.324 2.604 20 0 CFADMM O=C(NCc1ncccc1F)c1ccc(Cl)cc1[O-] ZINC000162559189 322366363 /nfs/dbraw/zinc/36/63/63/322366363.db2.gz ITOZODNOJSEIMG-UHFFFAOYSA-N -1 1 280.686 2.510 20 0 CFADMM C[C@H](CCC(C)(C)C)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000349109697 381826400 /nfs/dbraw/zinc/82/64/00/381826400.db2.gz NORZSXQPINFGII-LLVKDONJSA-N -1 1 293.415 2.548 20 0 CFADMM CC(C)c1nnc([N-]C(=O)c2snnc2C2CC2)s1 ZINC000289363760 197312955 /nfs/dbraw/zinc/31/29/55/197312955.db2.gz ANBZPUKFDRVNMP-UHFFFAOYSA-N -1 1 295.393 2.643 20 0 CFADMM [O-]c1cccc(CN[C@H](CCO)c2ccco2)c1Cl ZINC000293370838 382097556 /nfs/dbraw/zinc/09/75/56/382097556.db2.gz VJCRGARHYDGHPU-LLVKDONJSA-N -1 1 281.739 2.852 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccnc(C2CC2)n1 ZINC000357369840 382137154 /nfs/dbraw/zinc/13/71/54/382137154.db2.gz GYDRBQZRLAQUHP-UHFFFAOYSA-N -1 1 289.722 2.965 20 0 CFADMM CCCC[C@@H](C)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000357416318 382161119 /nfs/dbraw/zinc/16/11/19/382161119.db2.gz GXENPEJUVDCWKC-LLVKDONJSA-N -1 1 287.363 2.574 20 0 CFADMM CCCC[C@H](C)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000357416320 382161782 /nfs/dbraw/zinc/16/17/82/382161782.db2.gz GXENPEJUVDCWKC-NSHDSACASA-N -1 1 287.363 2.574 20 0 CFADMM CCOC(=O)[C@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000293595153 382189401 /nfs/dbraw/zinc/18/94/01/382189401.db2.gz KRIXDLXDYDIVQJ-LLVKDONJSA-N -1 1 283.755 2.573 20 0 CFADMM CC(C)c1nnc(C[N-]c2nc(-c3ccccc3)no2)n1C ZINC000680376100 542315960 /nfs/dbraw/zinc/31/59/60/542315960.db2.gz DRWDCTCEYUYJJM-UHFFFAOYSA-N -1 1 298.350 2.601 20 0 CFADMM CCc1ccc(C(=O)N2C[C@H](CO)c3ccccc32)c([O-])c1 ZINC000293862325 382310950 /nfs/dbraw/zinc/31/09/50/382310950.db2.gz IJWXEDIKBAWRGA-CYBMUJFWSA-N -1 1 297.354 2.691 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N3C[C@H](C)[C@@H](C)[C@@H]3C)cnc2n1 ZINC000420206083 382334743 /nfs/dbraw/zinc/33/47/43/382334743.db2.gz DVTTUYKVVDOPTB-WCQGTBRESA-N -1 1 299.374 2.760 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C)c2=O ZINC000420206083 382334748 /nfs/dbraw/zinc/33/47/48/382334748.db2.gz DVTTUYKVVDOPTB-WCQGTBRESA-N -1 1 299.374 2.760 20 0 CFADMM CCc1cc(=O)[n-]c(SCCc2ccc(C)cc2)n1 ZINC000188112949 382346020 /nfs/dbraw/zinc/34/60/20/382346020.db2.gz NMUSDMGRQUPZBQ-UHFFFAOYSA-N -1 1 274.389 2.976 20 0 CFADMM Cc1nnc([C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)o1 ZINC000188145404 382355524 /nfs/dbraw/zinc/35/55/24/382355524.db2.gz YRYAENCAMQIZQR-ZCFIWIBFSA-N -1 1 278.337 2.604 20 0 CFADMM CCCC[C@@H](COC)NC(=O)c1cc(Cl)ccc1[O-] ZINC000303752669 382361669 /nfs/dbraw/zinc/36/16/69/382361669.db2.gz IJHDAEZYRYERBG-NSHDSACASA-N -1 1 285.771 2.981 20 0 CFADMM CO[C@@H](C)[C@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000188350671 382398112 /nfs/dbraw/zinc/39/81/12/382398112.db2.gz XPTMHZORCQWOOK-QWRGUYRKSA-N -1 1 273.332 2.699 20 0 CFADMM CN(C)C1(CN=c2nc(C3CCCCC3)[n-]s2)CC1 ZINC000420658832 382448128 /nfs/dbraw/zinc/44/81/28/382448128.db2.gz ZAKCBCPEROUPHZ-UHFFFAOYSA-N -1 1 280.441 2.514 20 0 CFADMM CCC[C@](C)(NCc1cccc([O-])c1Cl)C(=O)OC ZINC000294166938 382441972 /nfs/dbraw/zinc/44/19/72/382441972.db2.gz IXWIHQADUIETJV-AWEZNQCLSA-N -1 1 285.771 2.867 20 0 CFADMM CCCCO[C@@H](C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188361555 382399144 /nfs/dbraw/zinc/39/91/44/382399144.db2.gz ATLKUXQCHZNFLE-QMMMGPOBSA-N -1 1 272.732 2.584 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H]1CF ZINC000294176395 382446421 /nfs/dbraw/zinc/44/64/21/382446421.db2.gz SWILVBNHUGYTET-SECBINFHSA-N -1 1 257.692 2.620 20 0 CFADMM CCc1noc(C)c1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000294079004 382406411 /nfs/dbraw/zinc/40/64/11/382406411.db2.gz RVICBPZNBMUDNP-UHFFFAOYSA-N -1 1 294.738 2.834 20 0 CFADMM C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cccc([O-])c1Cl ZINC000352962323 382486385 /nfs/dbraw/zinc/48/63/85/382486385.db2.gz LNYVTHCICYWRET-WDEREUQCSA-N -1 1 268.788 2.570 20 0 CFADMM O=C(Nc1cccc2c1OCCC2=O)c1ccccc1[O-] ZINC000378595862 382488943 /nfs/dbraw/zinc/48/89/43/382488943.db2.gz PCHNYRZUBVCMAP-UHFFFAOYSA-N -1 1 283.283 2.610 20 0 CFADMM CO[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381755088 382524777 /nfs/dbraw/zinc/52/47/77/382524777.db2.gz WLLYGMAWENJWEL-LLVKDONJSA-N -1 1 283.755 2.649 20 0 CFADMM CCC[C@]1(NC(=O)c2ccc(Cl)cc2[O-])CCOC1 ZINC000378716726 382502985 /nfs/dbraw/zinc/50/29/85/382502985.db2.gz AKJMDJADFKXHNA-AWEZNQCLSA-N -1 1 283.755 2.735 20 0 CFADMM C[C@@H]1CCCCCN1Cc1nc(C(=O)[O-])cs1 ZINC000378711505 382503113 /nfs/dbraw/zinc/50/31/13/382503113.db2.gz LMMSUAGFNGDGDU-SECBINFHSA-N -1 1 254.355 2.606 20 0 CFADMM COCC1(CNC(=O)c2ccc(Cl)cc2[O-])CCC1 ZINC000311732175 382507581 /nfs/dbraw/zinc/50/75/81/382507581.db2.gz ZCGRAWZMPJVFCC-UHFFFAOYSA-N -1 1 283.755 2.592 20 0 CFADMM COC(=O)CCCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000188950543 382511580 /nfs/dbraw/zinc/51/15/80/382511580.db2.gz ODEJVSBRWSZTTI-UHFFFAOYSA-N -1 1 285.727 2.718 20 0 CFADMM CCCC[C@H](CC)CC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000366707104 382542366 /nfs/dbraw/zinc/54/23/66/382542366.db2.gz CCIPERXLJZOZNM-STQMWFEESA-N -1 1 293.415 2.512 20 0 CFADMM CO[C@@H](C)c1nc(=N[C@@H](C)CC(C)(C)C)s[n-]1 ZINC000384665100 382556662 /nfs/dbraw/zinc/55/66/62/382556662.db2.gz PJBFPGDGHRBBOK-IUCAKERBSA-N -1 1 257.403 2.904 20 0 CFADMM O=C(Nc1ccc2c(c1)OCO2)c1c(F)ccc([O-])c1F ZINC000346822947 382530561 /nfs/dbraw/zinc/53/05/61/382530561.db2.gz JZRCSAUJUDVMDA-UHFFFAOYSA-N -1 1 293.225 2.651 20 0 CFADMM Cn1ccnc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000382407162 382530792 /nfs/dbraw/zinc/53/07/92/382530792.db2.gz UEQWFQJGMHBSKC-UHFFFAOYSA-N -1 1 267.288 2.531 20 0 CFADMM C[C@H](CCO)CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000295268290 382603384 /nfs/dbraw/zinc/60/33/84/382603384.db2.gz BPSSIBNOLMZQHZ-LBPRGKRZSA-N -1 1 287.359 2.684 20 0 CFADMM COC(=O)c1c[n-]c(SCCc2ccc(OC)cc2)n1 ZINC000189436597 382609112 /nfs/dbraw/zinc/60/91/12/382609112.db2.gz YDKWJGFCLQZIJM-UHFFFAOYSA-N -1 1 292.360 2.540 20 0 CFADMM C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccccc1OC(F)F ZINC000397023068 382632259 /nfs/dbraw/zinc/63/22/59/382632259.db2.gz 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CC[C@@H](C)[C@@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000280893150 195018065 /nfs/dbraw/zinc/01/80/65/195018065.db2.gz GYUSCWAEGGXEGL-HTQZYQBOSA-N -1 1 257.280 2.835 20 0 CFADMM C[C@@H](F)CCNC(=O)N=c1[n-]sc2ccccc21 ZINC000640338619 383765852 /nfs/dbraw/zinc/76/58/52/383765852.db2.gz FVTXDPXAMPMQHK-MRVPVSSYSA-N -1 1 267.329 2.588 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)N[C@]12C[C@H]1CCC2 ZINC000640336788 383765887 /nfs/dbraw/zinc/76/58/87/383765887.db2.gz ACCUKGBDUNGIPT-YMTOWFKASA-N -1 1 273.361 2.782 20 0 CFADMM C[C@H]1CSC[C@@H]1NC(=O)N=c1[n-]sc2ccccc21 ZINC000640338729 383766078 /nfs/dbraw/zinc/76/60/78/383766078.db2.gz GPOMZGKTEKZQFN-WPRPVWTQSA-N -1 1 293.417 2.591 20 0 CFADMM O=S(=O)([N-]c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000356715190 285044620 /nfs/dbraw/zinc/04/46/20/285044620.db2.gz WPLMXBWBTQUMSF-UHFFFAOYSA-N -1 1 287.262 2.905 20 0 CFADMM CC[C@H]([N-]S(=O)(=O)CC1(C)CCCCC1)C(F)F ZINC000451626829 383671407 /nfs/dbraw/zinc/67/14/07/383671407.db2.gz VVBHBVSCXYNWKH-JTQLQIEISA-N -1 1 283.384 2.920 20 0 CFADMM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1ccno1 ZINC000571180162 383671496 /nfs/dbraw/zinc/67/14/96/383671496.db2.gz ADBLRUSBBMAZNB-OCCSQVGLSA-N -1 1 278.352 2.530 20 0 CFADMM Cc1cc(-c2nc(=O)c3c(C)c(C)sc3[n-]2)no1 ZINC000280978412 195054972 /nfs/dbraw/zinc/05/49/72/195054972.db2.gz LWLCTOGMTNESPB-UHFFFAOYSA-N -1 1 261.306 2.977 20 0 CFADMM CC(C)CC[C@@](C)(O)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000436575927 383841119 /nfs/dbraw/zinc/84/11/19/383841119.db2.gz PKUQLMKDVNHOIU-OAHLLOKOSA-N -1 1 299.798 2.963 20 0 CFADMM CC[C@H](O)CCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000436574904 383842378 /nfs/dbraw/zinc/84/23/78/383842378.db2.gz NBZODSDQMPQUPY-AWEZNQCLSA-N -1 1 287.359 2.826 20 0 CFADMM CCC[C@](C)(CC)C(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000640654936 383879811 /nfs/dbraw/zinc/87/98/11/383879811.db2.gz FUWHMZUNBLATSU-AWEZNQCLSA-N -1 1 297.424 2.737 20 0 CFADMM CCO[C@@H]1C[C@@H](NC(=O)c2cc(F)ccc2[O-])C12CCC2 ZINC000436589299 383848432 /nfs/dbraw/zinc/84/84/32/383848432.db2.gz JVTIYLZLQQTICM-ZIAGYGMSSA-N 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COc1cc2c(cc1F)nccc2N[C@H](C)CC(=O)[O-] ZINC000416424191 393917541 /nfs/dbraw/zinc/91/75/41/393917541.db2.gz BCMLKEXVOCNANP-MRVPVSSYSA-N -1 1 278.283 2.658 20 0 CFADMM O=S(=O)([N-][C@@H]1CCCC[C@H]1F)c1ccc(Cl)s1 ZINC000416595315 393931972 /nfs/dbraw/zinc/93/19/72/393931972.db2.gz QNRSOJZUNLPGKG-HTQZYQBOSA-N -1 1 297.804 2.961 20 0 CFADMM Cc1ccccc1OCCNC(=O)c1c([O-])cccc1F ZINC000120434688 393933548 /nfs/dbraw/zinc/93/35/48/393933548.db2.gz IEDYWDIYEITHCX-UHFFFAOYSA-N -1 1 289.306 2.649 20 0 CFADMM C[C@@H]1CC[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)[C@@H](C)C1 ZINC000253542525 393941577 /nfs/dbraw/zinc/94/15/77/393941577.db2.gz GYUUSLFKZFXMLQ-MDZLAQPJSA-N -1 1 299.374 2.890 20 0 CFADMM COCc1ccc(CN[C@@](C)(CCC(C)C)C(=O)[O-])o1 ZINC000417532944 393971855 /nfs/dbraw/zinc/97/18/55/393971855.db2.gz LTENYGXSAPXPGE-HNNXBMFYSA-N -1 1 283.368 2.795 20 0 CFADMM O=C([O-])C[C@@H](NCc1ccco1)c1ccsc1 ZINC000417540272 393972870 /nfs/dbraw/zinc/97/28/70/393972870.db2.gz WSJCMBFKNBUKAW-LLVKDONJSA-N -1 1 251.307 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ZINC000685459161 542917564 /nfs/dbraw/zinc/91/75/64/542917564.db2.gz HJBDIPXBHBQYPW-SECBINFHSA-N -1 1 292.285 2.865 20 0 CFADMM CCCS(=O)(=O)[N-]c1n[nH]c(C)c1-c1ccccc1F ZINC000530157256 394461155 /nfs/dbraw/zinc/46/11/55/394461155.db2.gz HSMSDORHNBNWDU-UHFFFAOYSA-N -1 1 297.355 2.676 20 0 CFADMM CC(C)N(Cc1ccccc1)Cc1cnc(C(=O)[O-])cn1 ZINC000530159522 394462213 /nfs/dbraw/zinc/46/22/13/394462213.db2.gz CRWPDZWFJRWHPF-UHFFFAOYSA-N -1 1 285.347 2.585 20 0 CFADMM Cc1oc(CN2CCC(F)(F)C[C@H]2C)cc1C(=O)[O-] ZINC000530171570 394467949 /nfs/dbraw/zinc/46/79/49/394467949.db2.gz CBLOAIVVSRBPQP-MRVPVSSYSA-N -1 1 273.279 2.906 20 0 CFADMM C[C@@H]1CN(Cc2ccc3ccccc3c2)C[C@@H](C(=O)[O-])O1 ZINC000530172660 394469175 /nfs/dbraw/zinc/46/91/75/394469175.db2.gz MVVYRDVVMRSXKG-WBMJQRKESA-N -1 1 285.343 2.514 20 0 CFADMM Cc1nc(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cs1 ZINC000530176465 394471045 /nfs/dbraw/zinc/47/10/45/394471045.db2.gz TZCSDZQYLDOSAG-DOFRTFSJSA-N -1 1 268.382 2.525 20 0 CFADMM Cc1nn(C(C)C)cc1C(=O)Nc1cccc(F)c1[O-] ZINC000530006405 394441783 /nfs/dbraw/zinc/44/17/83/394441783.db2.gz RPWMBVMSEHFJCD-UHFFFAOYSA-N -1 1 277.299 2.869 20 0 CFADMM Cn1nc(C(C)(C)C)cc1C(=O)Nc1cccc(F)c1[O-] ZINC000530005251 394441889 /nfs/dbraw/zinc/44/18/89/394441889.db2.gz HNLZXLHSZDWRMJ-UHFFFAOYSA-N -1 1 291.326 2.815 20 0 CFADMM CCc1nc(=N[C@H](CC(C)C)C(=O)OC(C)(C)C)s[n-]1 ZINC000538978702 394619135 /nfs/dbraw/zinc/61/91/35/394619135.db2.gz AURJTTXAOYQDEF-SNVBAGLBSA-N -1 1 299.440 2.691 20 0 CFADMM O=S(=O)(Cc1nc(C2CC2)cs1)c1ccc([O-])cc1 ZINC000542187640 394697247 /nfs/dbraw/zinc/69/72/47/394697247.db2.gz HKMZIWXGWIWQDU-UHFFFAOYSA-N -1 1 295.385 2.700 20 0 CFADMM Cc1cccc2c1CC[C@H]2NC(=O)c1ncccc1[O-] ZINC000547651743 394879230 /nfs/dbraw/zinc/87/92/30/394879230.db2.gz DVIRWZGVWLHUDY-CYBMUJFWSA-N -1 1 268.316 2.513 20 0 CFADMM Cc1ccncc1N(C)C(=O)c1cc(F)ccc1[O-] ZINC000547363589 394861641 /nfs/dbraw/zinc/86/16/41/394861641.db2.gz SDHTVDFNIOPGQG-UHFFFAOYSA-N -1 1 260.268 2.511 20 0 CFADMM CC1(C)CN(C(=O)c2ccc([O-])c(F)c2)[C@@H]1[C@@H]1CCCO1 ZINC000685885694 542954237 /nfs/dbraw/zinc/95/42/37/542954237.db2.gz LSXKKPZCSLAACD-UONOGXRCSA-N -1 1 293.338 2.561 20 0 CFADMM CC1(C)CC(C[N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000548374289 394925159 /nfs/dbraw/zinc/92/51/59/394925159.db2.gz RTGORNQPWNTONX-UHFFFAOYSA-N -1 1 289.347 2.679 20 0 CFADMM COc1ccc(NC(=O)c2cncc([O-])c2)c2ncccc12 ZINC000548441796 394931430 /nfs/dbraw/zinc/93/14/30/394931430.db2.gz FFCIVUCRCXVNTR-UHFFFAOYSA-N -1 1 295.298 2.596 20 0 CFADMM Cc1cnc(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)c([O-])c1 ZINC000548633994 394941221 /nfs/dbraw/zinc/94/12/21/394941221.db2.gz LZALNHMAEVNQAD-LLVKDONJSA-N -1 1 290.285 2.802 20 0 CFADMM CC(C)c1nc(=NC[C@@H]2CC23CCSCC3)o[n-]1 ZINC000557632636 395041958 /nfs/dbraw/zinc/04/19/58/395041958.db2.gz DJPGZRQOBLCPAU-JTQLQIEISA-N -1 1 267.398 2.560 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2[nH]nc(C(C)C)c2C)o1 ZINC000647278878 395267285 /nfs/dbraw/zinc/26/72/85/395267285.db2.gz RCDFXGXEZTYAAS-UHFFFAOYSA-N -1 1 283.353 2.544 20 0 CFADMM C[C@@H]1CC[N@H+](Cc2cccc([O-])c2Cl)C[C@H]1C(=O)[O-] ZINC000647461645 395344311 /nfs/dbraw/zinc/34/43/11/395344311.db2.gz VBNWGRRECPHJLH-MWLCHTKSSA-N -1 1 283.755 2.588 20 0 CFADMM C[C@@H]1CC[N@@H+](Cc2cccc([O-])c2Cl)C[C@H]1C(=O)[O-] ZINC000647461645 395344315 /nfs/dbraw/zinc/34/43/15/395344315.db2.gz VBNWGRRECPHJLH-MWLCHTKSSA-N -1 1 283.755 2.588 20 0 CFADMM Cc1nc(C(C)C)oc1CNC(=O)c1ccc([O-])cc1F ZINC000647807854 395436763 /nfs/dbraw/zinc/43/67/63/395436763.db2.gz LTHQYJJUUNGXAQ-UHFFFAOYSA-N -1 1 292.310 2.881 20 0 CFADMM CC(C)[C@H]1N(C(=O)C(=O)c2ccc([O-])cc2)CC12CC=CC2 ZINC000649138352 395437322 /nfs/dbraw/zinc/43/73/22/395437322.db2.gz FDHRHMRSKLWFCF-MRXNPFEDSA-N -1 1 299.370 2.778 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(C(C)C)oc1C ZINC000647815929 395439015 /nfs/dbraw/zinc/43/90/15/395439015.db2.gz RCNBIACGPGMLNN-UHFFFAOYSA-N -1 1 263.297 2.701 20 0 CFADMM Cc1csc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c1 ZINC000649581343 395530582 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413184347 /nfs/dbraw/zinc/18/43/47/413184347.db2.gz YADDSGLWWMBWIW-SECBINFHSA-N -1 1 259.396 2.765 20 0 CFADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(CCC(F)(F)F)C1 ZINC000656756848 413184719 /nfs/dbraw/zinc/18/47/19/413184719.db2.gz IJACZKPRGMHUBP-RQJHMYQMSA-N -1 1 293.207 2.524 20 0 CFADMM CC[C@@H]1CN(C(=O)c2ccc([O-])cc2F)[C@@H](CC)CO1 ZINC000403918390 413187169 /nfs/dbraw/zinc/18/71/69/413187169.db2.gz PFUNCOBZNBFPKO-CMPLNLGQSA-N -1 1 281.327 2.561 20 0 CFADMM Cn1ncc2c1nc(Oc1ccc(Cl)cc1F)[n-]c2=O ZINC000356479219 155278949 /nfs/dbraw/zinc/27/89/49/155278949.db2.gz XPYAEVDWDAODFJ-UHFFFAOYSA-N -1 1 294.673 2.654 20 0 CFADMM Cn1ncc2c1nc(Oc1ccc(F)cc1Cl)[n-]c2=O ZINC000356490686 155282568 /nfs/dbraw/zinc/28/25/68/155282568.db2.gz NMLLAKYGFREQFN-UHFFFAOYSA-N -1 1 294.673 2.654 20 0 CFADMM Cc1cnc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)c([O-])c1 ZINC000356633793 155321332 /nfs/dbraw/zinc/32/13/32/155321332.db2.gz OUSSKBAGVLSDBR-GRYCIOLGSA-N -1 1 262.353 2.602 20 0 CFADMM Cc1cccc(N(C)C(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000825219032 782004431 /nfs/dbraw/zinc/00/44/31/782004431.db2.gz AWHDNKHZUZACIR-UHFFFAOYSA-N -1 1 283.331 2.645 20 0 CFADMM CC(C)(C)[C@@H]1CCN(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000345729362 154251879 /nfs/dbraw/zinc/25/18/79/154251879.db2.gz YTTFUQVHHSHISK-SNVBAGLBSA-N -1 1 293.436 2.648 20 0 CFADMM Cc1nc(S(=O)(=O)[N-]C2CCCCCC2)sc1C ZINC000348043106 154295204 /nfs/dbraw/zinc/29/52/04/154295204.db2.gz XLVWXTOKGLMHKK-UHFFFAOYSA-N -1 1 288.438 2.761 20 0 CFADMM Cc1ocnc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000363253695 156166951 /nfs/dbraw/zinc/16/69/51/156166951.db2.gz QTTBUVSCTPNPLP-UHFFFAOYSA-N -1 1 292.345 2.815 20 0 CFADMM C[N@H+](CC1N=NC(=O)S1)C1CC(c2ccccc2)C1 ZINC000375373523 157234813 /nfs/dbraw/zinc/23/48/13/157234813.db2.gz NBIDFGQZUKFWPI-UHFFFAOYSA-N -1 1 275.377 2.622 20 0 CFADMM Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CC[C@H](Oc3ccccc3)C2)n1 ZINC000375919885 157304931 /nfs/dbraw/zinc/30/49/31/157304931.db2.gz LEGJQQVIMVHGKH-HIFRSBDPSA-N -1 1 299.374 2.705 20 0 CFADMM Cc1cc(CSc2nc(C3CC3)cc(=O)[n-]2)nc(C)n1 ZINC000657258352 413375720 /nfs/dbraw/zinc/37/57/20/413375720.db2.gz GRIYNVVGNRYCPC-UHFFFAOYSA-N -1 1 288.376 2.759 20 0 CFADMM Cc1cnc(SCc2cnn(C(C)(C)C)c2)[n-]c1=O ZINC000657261811 413378132 /nfs/dbraw/zinc/37/81/32/413378132.db2.gz BCRHGDDMUUNWAE-UHFFFAOYSA-N -1 1 278.381 2.734 20 0 CFADMM CCOc1ccc(CSc2ncc(C)c(=O)[n-]2)nc1 ZINC000657261778 413378415 /nfs/dbraw/zinc/37/84/15/413378415.db2.gz SRURKWRNDGOSBP-UHFFFAOYSA-N -1 1 277.349 2.577 20 0 CFADMM CCc1nc(SCc2cc(C)nc(C)n2)[n-]c(=O)c1C ZINC000657264068 413382422 /nfs/dbraw/zinc/38/24/22/413382422.db2.gz CFMSVHHFYIDPGX-UHFFFAOYSA-N -1 1 290.392 2.752 20 0 CFADMM CCCc1nc(-c2nc3ccccc3c(=O)[n-]2)co1 ZINC000345200380 162200951 /nfs/dbraw/zinc/20/09/51/162200951.db2.gz IWHUJQLXBMOTSW-UHFFFAOYSA-N -1 1 255.277 2.943 20 0 CFADMM O=C(c1nc[n-]c1-c1nc(C2CC2)no1)c1ccccc1 ZINC000345874407 162269130 /nfs/dbraw/zinc/26/91/30/162269130.db2.gz FPDBDBSVNKKFRY-UHFFFAOYSA-N -1 1 280.287 2.568 20 0 CFADMM C[C@H]1CN(C(=O)c2csc(=NC3CC3)[n-]2)c2ccccc21 ZINC000349840493 163023528 /nfs/dbraw/zinc/02/35/28/163023528.db2.gz PLBOAZLVQXJNOZ-JTQLQIEISA-N -1 1 299.399 2.903 20 0 CFADMM C[C@@H](c1cnn(C)c1)N(C)Cc1cccc([O-])c1Cl ZINC000352765380 163230396 /nfs/dbraw/zinc/23/03/96/163230396.db2.gz JPKKWVHTTNZAAI-JTQLQIEISA-N -1 1 279.771 2.972 20 0 CFADMM COCc1nc(=N[C@H](C)[C@H]2CC3CCC2CC3)s[n-]1 ZINC000651490877 413500018 /nfs/dbraw/zinc/50/00/18/413500018.db2.gz AYQHSIBPPPELCE-HBIQZDMRSA-N -1 1 281.425 2.733 20 0 CFADMM O=C([O-])C1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000035300209 172114815 /nfs/dbraw/zinc/11/48/15/172114815.db2.gz AJWJSFQHDSFRRO-UHFFFAOYSA-N -1 1 285.290 2.585 20 0 CFADMM CN(Cc1cccs1)Cc1occc1C(=O)[O-] ZINC000035717845 172372185 /nfs/dbraw/zinc/37/21/85/172372185.db2.gz JTRONLOMIGXJMY-UHFFFAOYSA-N -1 1 251.307 2.671 20 0 CFADMM O=S(=O)([N-]C1(C2CCC2)CC1)c1cc(F)ccc1F ZINC000651869959 413689863 /nfs/dbraw/zinc/68/98/63/413689863.db2.gz LYTSQKCGYVALDY-UHFFFAOYSA-N -1 1 287.331 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523914977 /nfs/dbraw/zinc/91/49/77/523914977.db2.gz MFNOCINASJIKIA-UHFFFAOYSA-N -1 1 269.291 2.931 20 0 CFADMM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340809463 524427578 /nfs/dbraw/zinc/42/75/78/524427578.db2.gz AECFTPDZHXXJNS-LDYMZIIASA-N -1 1 291.775 2.946 20 0 CFADMM C[C@@H]1CC[C@H](C)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000075544643 524655172 /nfs/dbraw/zinc/65/51/72/524655172.db2.gz UNBOMUNGVTVECL-MNOVXSKESA-N -1 1 285.347 2.596 20 0 CFADMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2sccc2F)C[C@H]1C ZINC000338950771 524703322 /nfs/dbraw/zinc/70/33/22/524703322.db2.gz FHYJBQKMRCAKBS-BBBLOLIVSA-N -1 1 291.413 2.990 20 0 CFADMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2sccc2Cl)CS1 ZINC000334893999 524811220 /nfs/dbraw/zinc/81/12/20/524811220.db2.gz VDTNUECVHSNRFB-NKWVEPMBSA-N -1 1 297.854 2.574 20 0 CFADMM C[C@]1(CNC(=O)c2cncc([O-])c2)CCCc2ccccc21 ZINC000340004657 525263600 /nfs/dbraw/zinc/26/36/00/525263600.db2.gz SLIIXRUIWZSHGB-GOSISDBHSA-N -1 1 296.370 2.811 20 0 CFADMM C[C@H]([N-]S(=O)(=O)c1cccc2ccoc21)C(F)(F)F ZINC000335276418 525510589 /nfs/dbraw/zinc/51/05/89/525510589.db2.gz LUJPBBSWRVVTDC-ZETCQYMHSA-N -1 1 293.266 2.662 20 0 CFADMM O=S(=O)([N-]CCC1CC(F)(F)C1)c1sccc1F ZINC000416502090 534866637 /nfs/dbraw/zinc/86/66/37/534866637.db2.gz ODOYVSBYWQHZCO-UHFFFAOYSA-N -1 1 299.339 2.601 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)o1 ZINC000334166295 525595443 /nfs/dbraw/zinc/59/54/43/525595443.db2.gz AMKFRUQXRCODAO-UHFFFAOYSA-N -1 1 295.364 2.770 20 0 CFADMM CSc1cccc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)c1 ZINC000335048506 526145911 /nfs/dbraw/zinc/14/59/11/526145911.db2.gz CHWWPDMJSGKDCX-UHFFFAOYSA-N -1 1 297.405 2.549 20 0 CFADMM O=C([O-])[C@H](NCc1ccc(F)cc1F)c1ccccc1 ZINC000050507939 526312897 /nfs/dbraw/zinc/31/28/97/526312897.db2.gz NRXKWXBABLHXNR-CQSZACIVSA-N -1 1 277.270 2.880 20 0 CFADMM O=C([O-])c1cccc(OCCN2Cc3ccccc3C2)c1 ZINC000050911548 526393599 /nfs/dbraw/zinc/39/35/99/526393599.db2.gz FEQAXFYYFFGDKR-UHFFFAOYSA-N -1 1 283.327 2.779 20 0 CFADMM O=C(NC[C@@H]1CC12CC2)c1ccc(Br)c([O-])c1 ZINC000335196144 526497348 /nfs/dbraw/zinc/49/73/48/526497348.db2.gz WRGXLBBSDALLJW-VIFPVBQESA-N -1 1 296.164 2.685 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](C2CC2)C1 ZINC000336312526 526623135 /nfs/dbraw/zinc/62/31/35/526623135.db2.gz TWNXQEGSKSLAQZ-LLVKDONJSA-N -1 1 263.312 2.794 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1CCO ZINC000313717848 526639834 /nfs/dbraw/zinc/63/98/34/526639834.db2.gz JFZRNSSYNZHFCC-AWEZNQCLSA-N -1 1 285.343 2.532 20 0 CFADMM O=C(CCc1nccs1)Nc1ccc(F)cc1[O-] ZINC000340326486 526660528 /nfs/dbraw/zinc/66/05/28/526660528.db2.gz FMNCXFGPNPRCRY-UHFFFAOYSA-N -1 1 266.297 2.559 20 0 CFADMM Cc1noc2ncc(C(=O)Nc3ccc(F)cc3[O-])cc12 ZINC000340328690 526685295 /nfs/dbraw/zinc/68/52/95/526685295.db2.gz MFLDKSWGTNTDRZ-UHFFFAOYSA-N -1 1 287.250 2.628 20 0 CFADMM O=C(NCc1ccsc1)c1c(F)ccc([O-])c1F ZINC000335896580 526802104 /nfs/dbraw/zinc/80/21/04/526802104.db2.gz BSIMJIHATHYBBP-UHFFFAOYSA-N -1 1 269.272 2.662 20 0 CFADMM O=C(COc1ccc(F)cc1F)Nc1ccc(F)cc1[O-] ZINC000340328003 526962940 /nfs/dbraw/zinc/96/29/40/526962940.db2.gz KIKTUISWADBGMF-UHFFFAOYSA-N -1 1 297.232 2.827 20 0 CFADMM O=C(N[C@H]1COc2ccc(F)cc21)c1ccc([O-])cc1F ZINC000336157665 527075724 /nfs/dbraw/zinc/07/57/24/527075724.db2.gz VUCJBWYHKJKJEG-ZDUSSCGKSA-N -1 1 291.253 2.534 20 0 CFADMM O=C(Nc1ccc(Cl)cc1)C(=O)c1ccc([O-])cc1 ZINC000336471577 527177801 /nfs/dbraw/zinc/17/78/01/527177801.db2.gz HRRBYACPUVMQHZ-UHFFFAOYSA-N -1 1 275.691 2.867 20 0 CFADMM Cn1cc(Cl)cc1C(=O)Nc1ccc(F)cc1[O-] ZINC000340332412 527240628 /nfs/dbraw/zinc/24/06/28/527240628.db2.gz VMSDVNYPLJFGKD-UHFFFAOYSA-N -1 1 268.675 2.776 20 0 CFADMM O=S(=O)([N-]c1cccc2[nH]ccc21)c1ccccc1 ZINC000074842674 527254048 /nfs/dbraw/zinc/25/40/48/527254048.db2.gz JYLZKGFXRNIMRF-UHFFFAOYSA-N -1 1 272.329 2.969 20 0 CFADMM O=C(Nc1ccccc1OCC(F)F)c1cncc([O-])c1 ZINC000339905941 527432720 /nfs/dbraw/zinc/43/27/20/527432720.db2.gz CXGZVQFOPGDZRW-UHFFFAOYSA-N -1 1 294.257 2.683 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])C1(C2CC2)CCOCC1 ZINC000363745242 527507657 /nfs/dbraw/zinc/50/76/57/527507657.db2.gz HYWTUDIRXNSHFN-UHFFFAOYSA-N -1 1 296.754 2.586 20 0 CFADMM [O-]c1cccc(CNc2ccc(CCO)nc2)c1Cl ZINC000339403728 527574036 /nfs/dbraw/zinc/57/40/36/527574036.db2.gz JDZRSWBAYOGFAE-UHFFFAOYSA-N -1 1 278.739 2.588 20 0 CFADMM CC(C)(C)C[C@@H](O)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000172303913 527696935 /nfs/dbraw/zinc/69/69/35/527696935.db2.gz PNDOQYUVZZBUPD-SNVBAGLBSA-N -1 1 285.771 2.573 20 0 CFADMM CC(C)c1nn(-c2ccccc2)cc1CN1CC(C(=O)[O-])C1 ZINC000414655787 528386928 /nfs/dbraw/zinc/38/69/28/528386928.db2.gz MCBCAFSVSQZDSB-UHFFFAOYSA-N -1 1 299.374 2.512 20 0 CFADMM CCC(CC)(CO)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000158863409 528703359 /nfs/dbraw/zinc/70/33/59/528703359.db2.gz YTCODRCIKTUFIJ-UHFFFAOYSA-N -1 1 285.771 2.574 20 0 CFADMM CCC[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000462400039 535480980 /nfs/dbraw/zinc/48/09/80/535480980.db2.gz XVGPTVIMLWJOSW-MWLCHTKSSA-N -1 1 277.320 2.554 20 0 CFADMM CCc1cc(=O)[n-]c(SCc2ncoc2C2CC2)n1 ZINC000436195339 536156040 /nfs/dbraw/zinc/15/60/40/536156040.db2.gz CMGYVCNJONQDDH-UHFFFAOYSA-N -1 1 277.349 2.902 20 0 CFADMM Cc1noc(C)c1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000037088268 545560940 /nfs/dbraw/zinc/56/09/40/545560940.db2.gz CJTYCTAQVJTCMT-LLVKDONJSA-N -1 1 280.349 2.659 20 0 CFADMM Cc1cc(C)n(CCCC(=O)Nc2ccc(F)cc2[O-])n1 ZINC000935098985 649875061 /nfs/dbraw/zinc/87/50/61/649875061.db2.gz HMDDWRMRIRGUGN-UHFFFAOYSA-N -1 1 291.326 2.764 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cnn(C2CCC2)c1 ZINC000935101081 649875602 /nfs/dbraw/zinc/87/56/02/649875602.db2.gz TZUZPPJWQLBYEB-UHFFFAOYSA-N -1 1 275.283 2.705 20 0 CFADMM CSc1ccc(CCC(=O)[N-]OCC(F)F)cc1 ZINC000935387081 649903774 /nfs/dbraw/zinc/90/37/74/649903774.db2.gz DOATWAJVKOIXJR-UHFFFAOYSA-N -1 1 275.320 2.654 20 0 CFADMM CCCCCC[C@@H](C)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000736445649 574053423 /nfs/dbraw/zinc/05/34/23/574053423.db2.gz LUGMVLMKDQEPJB-GFCCVEGCSA-N -1 1 293.415 2.692 20 0 CFADMM C[C@@H]1CCC[C@@H](C)N1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736774907 574071854 /nfs/dbraw/zinc/07/18/54/574071854.db2.gz KZWRATOZMJSOPZ-VXGBXAGGSA-N -1 1 290.363 2.586 20 0 CFADMM C[C@@H]1CCCCCN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000736786165 574074723 /nfs/dbraw/zinc/07/47/23/574074723.db2.gz ZUODMLCDGJTXCM-SNVBAGLBSA-N -1 1 296.392 2.649 20 0 CFADMM CC[C@@H](Sc1nc(-c2cc(F)cc(F)c2)n[nH]1)C(=O)[O-] ZINC000736929070 574086360 /nfs/dbraw/zinc/08/63/60/574086360.db2.gz OACMBFYJCWTDHR-SECBINFHSA-N -1 1 299.302 2.705 20 0 CFADMM CCC[C@H](C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000744769939 574087478 /nfs/dbraw/zinc/08/74/78/574087478.db2.gz OTZWBLOGBLFOFE-JTQLQIEISA-N -1 1 290.315 2.978 20 0 CFADMM CSC[C@@H](C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744998192 574096117 /nfs/dbraw/zinc/09/61/17/574096117.db2.gz PSKKOXMJXXOHOX-SNVBAGLBSA-N -1 1 296.388 2.680 20 0 CFADMM CC1(C)C[C@@H](NC(=O)c2c([O-])cccc2Cl)CCO1 ZINC000754515867 574099493 /nfs/dbraw/zinc/09/94/93/574099493.db2.gz XLIXGYCZVUYDJB-VIFPVBQESA-N -1 1 283.755 2.733 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)/C=C/C2CC2)c1 ZINC000745552476 574115847 /nfs/dbraw/zinc/11/58/47/574115847.db2.gz JVWFXLRUQCHEPO-QPJJXVBHSA-N -1 1 274.316 2.647 20 0 CFADMM CCOc1ccc(CNCc2ccc(C(=O)[O-])o2)cc1 ZINC000737204841 574118820 /nfs/dbraw/zinc/11/88/20/574118820.db2.gz ZVSSMBBWXFKERS-UHFFFAOYSA-N -1 1 275.304 2.666 20 0 CFADMM O=C([O-])NC1CCN(c2ccnc3cc(F)ccc32)CC1 ZINC000740601169 574119777 /nfs/dbraw/zinc/11/97/77/574119777.db2.gz NAEYPPPSFDZKHP-UHFFFAOYSA-N -1 1 289.310 2.610 20 0 CFADMM Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccc(F)cn2)cc1 ZINC000731779684 574128737 /nfs/dbraw/zinc/12/87/37/574128737.db2.gz OBVPCPSGFXQJJB-HJWRWDBZSA-N -1 1 292.335 2.942 20 0 CFADMM CN(CC[N@@H+](C)Cc1occc1C(=O)[O-])c1ccccc1 ZINC000737440865 574140956 /nfs/dbraw/zinc/14/09/56/574140956.db2.gz GQRUDINRGHFCCG-UHFFFAOYSA-N -1 1 288.347 2.546 20 0 CFADMM CN(CCN(C)c1ccccc1)Cc1occc1C(=O)[O-] ZINC000737440865 574140959 /nfs/dbraw/zinc/14/09/59/574140959.db2.gz GQRUDINRGHFCCG-UHFFFAOYSA-N -1 1 288.347 2.546 20 0 CFADMM Clc1ccc(NCC2CCCC2)nc1-c1nnn[n-]1 ZINC000737574015 574148162 /nfs/dbraw/zinc/14/81/62/574148162.db2.gz JEOCKNKTOIFBAB-UHFFFAOYSA-N -1 1 278.747 2.517 20 0 CFADMM Clc1ccc(NCC2CCCC2)nc1-c1nn[n-]n1 ZINC000737574015 574148164 /nfs/dbraw/zinc/14/81/64/574148164.db2.gz JEOCKNKTOIFBAB-UHFFFAOYSA-N -1 1 278.747 2.517 20 0 CFADMM Cc1cccc2c1CCN(Cc1ccoc1C(=O)[O-])C2 ZINC000738747041 574162959 /nfs/dbraw/zinc/16/29/59/574162959.db2.gz DRGSEKXDRHPUCY-UHFFFAOYSA-N -1 1 271.316 2.845 20 0 CFADMM Oc1ccc(Sc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000738400436 574166906 /nfs/dbraw/zinc/16/69/06/574166906.db2.gz HGYCVGZVUIPBNI-UHFFFAOYSA-N -1 1 288.307 2.863 20 0 CFADMM Cn1cccc1[C@@H]1CCCN1Cc1cc(C(=O)[O-])co1 ZINC000739042992 574194734 /nfs/dbraw/zinc/19/47/34/574194734.db2.gz LTHCSZVDZUYUBQ-AWEZNQCLSA-N -1 1 274.320 2.653 20 0 CFADMM C[C@H](c1cc(F)ccc1F)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739054194 574194911 /nfs/dbraw/zinc/19/49/11/574194911.db2.gz QDQYCJUXXAJGAT-ZJUUUORDSA-N -1 1 284.306 2.615 20 0 CFADMM C[C@]1(NC(=O)c2c([O-])cccc2Cl)CCO[C@@H]1C1CC1 ZINC000753360282 574200414 /nfs/dbraw/zinc/20/04/14/574200414.db2.gz LHLCDGOQWQVEQV-HIFRSBDPSA-N -1 1 295.766 2.733 20 0 CFADMM COC[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000733363860 574224349 /nfs/dbraw/zinc/22/43/49/574224349.db2.gz KYJBYWRKJKTPCY-SNVBAGLBSA-N -1 1 283.755 2.544 20 0 CFADMM O=C([O-])[C@@H](NCc1ccc(Cl)nc1)c1ccsc1 ZINC000756364010 574229783 /nfs/dbraw/zinc/22/97/83/574229783.db2.gz YQHGBYLFJWYJDX-NSHDSACASA-N -1 1 282.752 2.712 20 0 CFADMM O=C([O-])c1cccc(CN2CCc3ccc(O)cc3C2)c1 ZINC000740221612 574243487 /nfs/dbraw/zinc/24/34/87/574243487.db2.gz VRUUCKUPXNFUQR-UHFFFAOYSA-N -1 1 283.327 2.649 20 0 CFADMM CC(C)[C@@H](C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000733579506 574247552 /nfs/dbraw/zinc/24/75/52/574247552.db2.gz RDMBVRVYVAAXPL-SNVBAGLBSA-N -1 1 290.315 2.834 20 0 CFADMM O=C([O-])N1CC[C@H](CN2CCCC[C@@H]2c2nccs2)C1 ZINC000740500771 574251707 /nfs/dbraw/zinc/25/17/07/574251707.db2.gz RGDNPHJWLOHDNH-VXGBXAGGSA-N -1 1 295.408 2.670 20 0 CFADMM CC1=CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000756810530 574264608 /nfs/dbraw/zinc/26/46/08/574264608.db2.gz SABVOYNWJLNRPL-UHFFFAOYSA-N -1 1 251.713 2.838 20 0 CFADMM CC(C)n1cc([C@H](C)[N-]C(=O)C(F)(F)C(F)F)cn1 ZINC000749391435 574292710 /nfs/dbraw/zinc/29/27/10/574292710.db2.gz UNDGSOSLFDSOFA-ZETCQYMHSA-N -1 1 281.253 2.542 20 0 CFADMM CC(C)(C)c1nc(C(=O)[N-]c2nc(C3CC3)no2)cs1 ZINC000734877334 574306030 /nfs/dbraw/zinc/30/60/30/574306030.db2.gz XLHJKPRCFAHFSN-UHFFFAOYSA-N -1 1 292.364 2.953 20 0 CFADMM CCS[C@@H]1CCCC[C@@H]1[N-]C(=O)C(F)(F)F ZINC000750145092 574327590 /nfs/dbraw/zinc/32/75/90/574327590.db2.gz SRQZWRQVFFOERT-JGVFFNPUSA-N -1 1 255.305 2.729 20 0 CFADMM C[C@@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)[O-] ZINC000739054406 574333362 /nfs/dbraw/zinc/33/33/62/574333362.db2.gz YWYPNUDZMFDVRV-UFGYOYAJSA-N -1 1 275.333 2.540 20 0 CFADMM CC(C)[C@@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000735748082 574334879 /nfs/dbraw/zinc/33/48/79/574334879.db2.gz HJKNZSROJGXKAF-ZETCQYMHSA-N -1 1 298.803 2.601 20 0 CFADMM CC(C)[C@@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000735748082 574334882 /nfs/dbraw/zinc/33/48/82/574334882.db2.gz HJKNZSROJGXKAF-ZETCQYMHSA-N -1 1 298.803 2.601 20 0 CFADMM CC(C)[C@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000735748081 574335049 /nfs/dbraw/zinc/33/50/49/574335049.db2.gz HJKNZSROJGXKAF-SSDOTTSWSA-N -1 1 298.803 2.601 20 0 CFADMM CC(C)[C@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000735748081 574335052 /nfs/dbraw/zinc/33/50/52/574335052.db2.gz HJKNZSROJGXKAF-SSDOTTSWSA-N -1 1 298.803 2.601 20 0 CFADMM CCCc1cc(=O)[n-]c(SCCSCC)n1 ZINC000735794346 574335947 /nfs/dbraw/zinc/33/59/47/574335947.db2.gz KGELVKQAMSRIFG-UHFFFAOYSA-N -1 1 258.412 2.980 20 0 CFADMM CC(C)CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000735796766 574336319 /nfs/dbraw/zinc/33/63/19/574336319.db2.gz IBCJPQCYCVTOGX-UHFFFAOYSA-N -1 1 280.763 2.763 20 0 CFADMM CC(C)CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000735796766 574336321 /nfs/dbraw/zinc/33/63/21/574336321.db2.gz IBCJPQCYCVTOGX-UHFFFAOYSA-N -1 1 280.763 2.763 20 0 CFADMM CC(C)c1ccc(Sc2nccnc2-c2nn[n-]n2)cc1 ZINC000735928364 574343343 /nfs/dbraw/zinc/34/33/43/574343343.db2.gz KDCGSZRZVLOHQB-UHFFFAOYSA-N -1 1 298.375 2.931 20 0 CFADMM CC1(C)CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736210936 574354710 /nfs/dbraw/zinc/35/47/10/574354710.db2.gz IZBKIFMCVIYQCA-UHFFFAOYSA-N -1 1 298.803 2.603 20 0 CFADMM CC1(C)CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736210936 574354712 /nfs/dbraw/zinc/35/47/12/574354712.db2.gz IZBKIFMCVIYQCA-UHFFFAOYSA-N -1 1 298.803 2.603 20 0 CFADMM CC1(C)CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736211222 574354796 /nfs/dbraw/zinc/35/47/96/574354796.db2.gz NDAZLYJICSRAFJ-UHFFFAOYSA-N -1 1 292.774 2.542 20 0 CFADMM CC1(C)CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736211222 574354798 /nfs/dbraw/zinc/35/47/98/574354798.db2.gz NDAZLYJICSRAFJ-UHFFFAOYSA-N -1 1 292.774 2.542 20 0 CFADMM C[C@@H]1C[C@@H]1c1ccc(CNc2cccc(-c3nnn[n-]3)n2)o1 ZINC000736242146 574356371 /nfs/dbraw/zinc/35/63/71/574356371.db2.gz ZEZCPWNRRKXUNH-KOLCDFICSA-N -1 1 296.334 2.590 20 0 CFADMM C[C@@H]1C[C@@H]1c1ccc(CNc2cccc(-c3nn[n-]n3)n2)o1 ZINC000736242146 574356373 /nfs/dbraw/zinc/35/63/73/574356373.db2.gz ZEZCPWNRRKXUNH-KOLCDFICSA-N -1 1 296.334 2.590 20 0 CFADMM CC[C@H](C)[C@H](C)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736329638 574362921 /nfs/dbraw/zinc/36/29/21/574362921.db2.gz KALVWUXCDVKBKD-UWVGGRQHSA-N -1 1 297.366 2.656 20 0 CFADMM CC[C@H](C)[C@H](C)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736329638 574362923 /nfs/dbraw/zinc/36/29/23/574362923.db2.gz KALVWUXCDVKBKD-UWVGGRQHSA-N -1 1 297.366 2.656 20 0 CFADMM CCC(=O)[C@H](C)OC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751730227 574381632 /nfs/dbraw/zinc/38/16/32/574381632.db2.gz GVOWEGAJQLRQGG-LURJTMIESA-N -1 1 274.675 2.709 20 0 CFADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1c([O-])cccc1Cl ZINC000752820722 574395652 /nfs/dbraw/zinc/39/56/52/574395652.db2.gz OQNLXBUVLZKSMH-DTWKUNHWSA-N -1 1 253.729 2.916 20 0 CFADMM O=C([N-][C@@H](C[C@@H]1CCOC1)c1ccccc1)C(F)(F)F ZINC000753768094 574409899 /nfs/dbraw/zinc/40/98/99/574409899.db2.gz JIRMSQNVHXCFLM-JQWIXIFHSA-N -1 1 287.281 2.833 20 0 CFADMM c1cc(N[C@H]2C[C@H]2C2CCCCC2)nc(-c2nnn[n-]2)c1 ZINC000823757079 599042161 /nfs/dbraw/zinc/04/21/61/599042161.db2.gz LUFXBCAUHFWEFI-AAEUAGOBSA-N -1 1 284.367 2.642 20 0 CFADMM c1cc(N[C@H]2C[C@H]2C2CCCCC2)nc(-c2nn[n-]n2)c1 ZINC000823757079 599042164 /nfs/dbraw/zinc/04/21/64/599042164.db2.gz LUFXBCAUHFWEFI-AAEUAGOBSA-N -1 1 284.367 2.642 20 0 CFADMM O=C([O-])c1ccc(CSc2nc(C3CC3)n[nH]2)cc1 ZINC000020394471 597296372 /nfs/dbraw/zinc/29/63/72/597296372.db2.gz NDFZXYWOOXFFSG-UHFFFAOYSA-N -1 1 275.333 2.673 20 0 CFADMM O=C([O-])c1ccc(CSc2n[nH]c(C3CC3)n2)cc1 ZINC000020394471 597296374 /nfs/dbraw/zinc/29/63/74/597296374.db2.gz NDFZXYWOOXFFSG-UHFFFAOYSA-N -1 1 275.333 2.673 20 0 CFADMM CCC(CC)n1ccc(CN2CCC[C@H](CC(=O)[O-])C2)n1 ZINC000069997011 597352412 /nfs/dbraw/zinc/35/24/12/597352412.db2.gz IIKOWCUMHWPFSZ-CYBMUJFWSA-N -1 1 293.411 2.931 20 0 CFADMM C[C@H](N(C)C(=O)c1cnc(C2CC2)[n-]c1=O)C(C)(C)C ZINC000900120333 620638972 /nfs/dbraw/zinc/63/89/72/620638972.db2.gz XYAIRQQREOZREE-VIFPVBQESA-N -1 1 277.368 2.566 20 0 CFADMM c1cc(-c2nnn[n-]2)oc1CNc1ccc2ncsc2c1 ZINC000823821745 607313951 /nfs/dbraw/zinc/31/39/51/607313951.db2.gz ZFUHXKBAMSFMHH-UHFFFAOYSA-N -1 1 298.331 2.682 20 0 CFADMM c1cc(-c2nn[n-]n2)oc1CNc1ccc2ncsc2c1 ZINC000823821745 607313952 /nfs/dbraw/zinc/31/39/52/607313952.db2.gz ZFUHXKBAMSFMHH-UHFFFAOYSA-N -1 1 298.331 2.682 20 0 CFADMM O=C([O-])C[C@@H]1CCCN(Cc2ccc(Cl)o2)C1 ZINC000257671400 598151164 /nfs/dbraw/zinc/15/11/64/598151164.db2.gz MHILHMSHYNAFEF-VIFPVBQESA-N -1 1 257.717 2.620 20 0 CFADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1cncs1 ZINC000820148684 598192045 /nfs/dbraw/zinc/19/20/45/598192045.db2.gz RJMDGTOYWZUANA-VIFPVBQESA-N -1 1 262.334 2.692 20 0 CFADMM O=C([O-])c1cccc(CNc2cnccc2-n2cccn2)c1 ZINC000821552849 598205363 /nfs/dbraw/zinc/20/53/63/598205363.db2.gz WSGRVBUAEVDQBF-UHFFFAOYSA-N -1 1 294.314 2.578 20 0 CFADMM O=C([O-])c1ccnc(NCCCc2nc3ccccc3[nH]2)c1 ZINC000821552587 598219424 /nfs/dbraw/zinc/21/94/24/598219424.db2.gz CKVWFYBMJITLAS-UHFFFAOYSA-N -1 1 296.330 2.701 20 0 CFADMM CC[C@H]1CCCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000095263981 599406102 /nfs/dbraw/zinc/40/61/02/599406102.db2.gz NILLJKBHAXXKDS-QWRGUYRKSA-N -1 1 272.356 2.642 20 0 CFADMM CC[C@H]1CCCC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000095263981 599406103 /nfs/dbraw/zinc/40/61/03/599406103.db2.gz NILLJKBHAXXKDS-QWRGUYRKSA-N -1 1 272.356 2.642 20 0 CFADMM c1cc(NCCC2CCCCC2)nc(-c2nnn[n-]2)c1 ZINC000095147409 599406221 /nfs/dbraw/zinc/40/62/21/599406221.db2.gz NFUOKCVAQCCHHI-UHFFFAOYSA-N -1 1 272.356 2.644 20 0 CFADMM c1cc(NCCC2CCCCC2)nc(-c2nn[n-]n2)c1 ZINC000095147409 599406223 /nfs/dbraw/zinc/40/62/23/599406223.db2.gz NFUOKCVAQCCHHI-UHFFFAOYSA-N -1 1 272.356 2.644 20 0 CFADMM Cc1ccc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000095323207 599414120 /nfs/dbraw/zinc/41/41/20/599414120.db2.gz SEXUOWLAOFKXSO-NSHDSACASA-N -1 1 280.335 2.743 20 0 CFADMM Cc1ccc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000095323207 599414121 /nfs/dbraw/zinc/41/41/21/599414121.db2.gz SEXUOWLAOFKXSO-NSHDSACASA-N -1 1 280.335 2.743 20 0 CFADMM Fc1cccc2c1CC[C@@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000737665534 599417181 /nfs/dbraw/zinc/41/71/81/599417181.db2.gz RTEPBZZJNBWTKY-LBPRGKRZSA-N -1 1 296.309 2.500 20 0 CFADMM Fc1cccc2c1CC[C@@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000737665534 599417180 /nfs/dbraw/zinc/41/71/80/599417180.db2.gz RTEPBZZJNBWTKY-LBPRGKRZSA-N -1 1 296.309 2.500 20 0 CFADMM C[C@H]1CCC[C@H](C)N1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000020342893 599712304 /nfs/dbraw/zinc/71/23/04/599712304.db2.gz SGWKBYXBMGRDPF-RYUDHWBXSA-N -1 1 290.363 2.586 20 0 CFADMM C/C(=C\CSc1nc(-c2ccc(C)cc2)n[nH]1)C(=O)[O-] ZINC000825792226 600726067 /nfs/dbraw/zinc/72/60/67/600726067.db2.gz AINNXODYBASNHB-JXMROGBWSA-N -1 1 289.360 2.903 20 0 CFADMM C[C@@H](Nc1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC000737696074 600747378 /nfs/dbraw/zinc/74/73/78/600747378.db2.gz RMTAHBNGQLKLAZ-GFCCVEGCSA-N -1 1 262.353 2.952 20 0 CFADMM C[C@](NCc1nc2ccccc2s1)(C(=O)[O-])C1CC1 ZINC000827741944 601032546 /nfs/dbraw/zinc/03/25/46/601032546.db2.gz YASLYUFZMVGRJG-CQSZACIVSA-N -1 1 276.361 2.639 20 0 CFADMM O=C([O-])[C@@H](NCc1ccncc1Cl)c1ccccc1 ZINC000088782363 601113053 /nfs/dbraw/zinc/11/30/53/601113053.db2.gz MOOJAXZUXKXECG-ZDUSSCGKSA-N -1 1 276.723 2.651 20 0 CFADMM Cc1cccc(N(C)Cc2ccnc(-c3nnn[n-]3)c2)c1C ZINC000826298613 607489465 /nfs/dbraw/zinc/48/94/65/607489465.db2.gz AWMHYKPIDUPMGU-UHFFFAOYSA-N -1 1 294.362 2.515 20 0 CFADMM Cc1cccc(N(C)Cc2ccnc(-c3nn[n-]n3)c2)c1C ZINC000826298613 607489466 /nfs/dbraw/zinc/48/94/66/607489466.db2.gz AWMHYKPIDUPMGU-UHFFFAOYSA-N -1 1 294.362 2.515 20 0 CFADMM Cc1[nH]c(C(=O)CN2C[C@H](C)CC2(C)C)c(C)c1C(=O)[O-] ZINC000832843275 601120789 /nfs/dbraw/zinc/12/07/89/601120789.db2.gz BNHZWBVZUDTSSW-SECBINFHSA-N -1 1 292.379 2.633 20 0 CFADMM CC(C)[C@@H]1C[C@@H](C(=O)Nc2nc(Cl)ccc2[O-])CCO1 ZINC000935597461 649920647 /nfs/dbraw/zinc/92/06/47/649920647.db2.gz FHQPKMKOYHDKBQ-ONGXEEELSA-N -1 1 298.770 2.830 20 0 CFADMM C/C(=C\CNC1(c2nccs2)CCCC1)C(=O)[O-] ZINC000825745648 601321332 /nfs/dbraw/zinc/32/13/32/601321332.db2.gz BTYIORLSNLIYRV-ONNFQVAWSA-N -1 1 266.366 2.533 20 0 CFADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccccn2)o1 ZINC000833312287 601389214 /nfs/dbraw/zinc/38/92/14/601389214.db2.gz AROZQDHBGRENBE-CYBMUJFWSA-N -1 1 272.304 2.710 20 0 CFADMM O=C([O-])CN(Cc1csc2ccccc12)C1CC1 ZINC000104223565 601464908 /nfs/dbraw/zinc/46/49/08/601464908.db2.gz OGUXINVGPUDZCY-UHFFFAOYSA-N -1 1 261.346 2.950 20 0 CFADMM C[C@H]1CN(Cc2ncc(-c3cccs3)o2)C[C@@H]1C(=O)[O-] ZINC000828464828 601519989 /nfs/dbraw/zinc/51/99/89/601519989.db2.gz VMPUDPAGXKIOJG-UWVGGRQHSA-N -1 1 292.360 2.556 20 0 CFADMM C[C@H]1CN(Cc2csc(-c3ccoc3)n2)C[C@H]1C(=O)[O-] ZINC000828462940 601531567 /nfs/dbraw/zinc/53/15/67/601531567.db2.gz NIXUXHNBSKLSHW-JOYOIKCWSA-N -1 1 292.360 2.556 20 0 CFADMM N#Cc1ccccc1CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000315227573 601545241 /nfs/dbraw/zinc/54/52/41/601545241.db2.gz VQJKUVPVCQAOAU-KRWDZBQOSA-N -1 1 292.338 2.742 20 0 CFADMM CC[C@](C)(CC(=O)[O-])NCc1nc(-c2cccs2)no1 ZINC000828671138 601556330 /nfs/dbraw/zinc/55/63/30/601556330.db2.gz AOVKSCRIRHQNCV-CYBMUJFWSA-N -1 1 295.364 2.531 20 0 CFADMM C/C(=C/CN1CCC[C@@H]1c1nc2ccccc2n1C)C(=O)[O-] ZINC000825740990 601567942 /nfs/dbraw/zinc/56/79/42/601567942.db2.gz GEQJRHVKSHTPSS-HMVFGEFZSA-N -1 1 299.374 2.741 20 0 CFADMM CCN(Cc1ccnc(-c2nnn[n-]2)c1)c1ccccc1C ZINC000825439627 607516763 /nfs/dbraw/zinc/51/67/63/607516763.db2.gz IEIZUBLZSYUCFF-UHFFFAOYSA-N -1 1 294.362 2.597 20 0 CFADMM CCN(Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1C ZINC000825439627 607516764 /nfs/dbraw/zinc/51/67/64/607516764.db2.gz IEIZUBLZSYUCFF-UHFFFAOYSA-N -1 1 294.362 2.597 20 0 CFADMM O=C([O-])c1cc(CN[C@@H]2CSc3ccccc32)c[nH]1 ZINC000833296612 601834849 /nfs/dbraw/zinc/83/48/49/601834849.db2.gz MFXXVIOTVZYRRY-GFCCVEGCSA-N -1 1 274.345 2.650 20 0 CFADMM CC[C@H](C(=O)OCc1ccc(C(=O)[O-])s1)N(CC)CC ZINC000828603996 602010857 /nfs/dbraw/zinc/01/08/57/602010857.db2.gz RVKAUUJMGYTMQF-LLVKDONJSA-N -1 1 299.392 2.610 20 0 CFADMM CCC(CC)SCc1ccnc(-c2nnn[n-]2)c1 ZINC000825114048 607543475 /nfs/dbraw/zinc/54/34/75/607543475.db2.gz INHTUAXFYHPZAU-UHFFFAOYSA-N -1 1 263.370 2.684 20 0 CFADMM CCC(CC)SCc1ccnc(-c2nn[n-]n2)c1 ZINC000825114048 607543477 /nfs/dbraw/zinc/54/34/77/607543477.db2.gz INHTUAXFYHPZAU-UHFFFAOYSA-N -1 1 263.370 2.684 20 0 CFADMM Cc1cc(C)c(NCc2ccnc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826263794 607547891 /nfs/dbraw/zinc/54/78/91/607547891.db2.gz QTNNAVSSRVIJKH-UHFFFAOYSA-N -1 1 294.362 2.799 20 0 CFADMM Cc1cc(C)c(NCc2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826263794 607547893 /nfs/dbraw/zinc/54/78/93/607547893.db2.gz QTNNAVSSRVIJKH-UHFFFAOYSA-N -1 1 294.362 2.799 20 0 CFADMM O=C([O-])c1ccc(OCCN2C[C@@H]3CCC[C@H]32)c(Cl)c1 ZINC000833322300 602208548 /nfs/dbraw/zinc/20/85/48/602208548.db2.gz ZVQJFZTWRVPEAU-WCQYABFASA-N -1 1 295.766 2.901 20 0 CFADMM O=C([O-])NC[C@@H]1CCCN1CCSc1ccccc1F ZINC000832573368 604074947 /nfs/dbraw/zinc/07/49/47/604074947.db2.gz NOOMLQVITXBETQ-NSHDSACASA-N -1 1 298.383 2.650 20 0 CFADMM CC(C)Oc1ccccc1CN1CCC[C@@H]1CNC(=O)[O-] ZINC000824425375 604076359 /nfs/dbraw/zinc/07/63/59/604076359.db2.gz OYCSKQBRFPBTCS-CQSZACIVSA-N -1 1 292.379 2.706 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000825265087 604216877 /nfs/dbraw/zinc/21/68/77/604216877.db2.gz QCMYPEGQDVMVGY-GHMZBOCLSA-N -1 1 298.333 2.833 20 0 CFADMM C[C@H](N[C@H]1CCN(C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000825478115 604318468 /nfs/dbraw/zinc/31/84/68/604318468.db2.gz DOOIJUFUBNSYAV-UWVGGRQHSA-N -1 1 291.376 2.699 20 0 CFADMM COc1cccc(F)c1[C@@H](C)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000829565689 604328111 /nfs/dbraw/zinc/32/81/11/604328111.db2.gz WTZPFLPEMAIAMU-MNOVXSKESA-N -1 1 296.342 2.627 20 0 CFADMM CN(CCNC(=O)[O-])Cc1ccc(SC(F)F)cc1 ZINC000828329587 604361679 /nfs/dbraw/zinc/36/16/79/604361679.db2.gz IFUWDJSHIDMAQR-UHFFFAOYSA-N -1 1 290.335 2.701 20 0 CFADMM C[C@@H](NC[C@@H](NC(=O)[O-])c1ccccc1)c1ccco1 ZINC000825486067 604379647 /nfs/dbraw/zinc/37/96/47/604379647.db2.gz UNBCQYFJIVYADJ-DGCLKSJQSA-N -1 1 274.320 2.939 20 0 CFADMM Cc1cc(CN2CCC(C(F)F)CC2)oc1C(=O)[O-] ZINC000307875472 604393020 /nfs/dbraw/zinc/39/30/20/604393020.db2.gz RGAJLXOLNGINBH-UHFFFAOYSA-N -1 1 273.279 2.763 20 0 CFADMM CCCn1c2ccccc2nc1CN(C)C[C@@H](C)C(=O)[O-] ZINC000833652293 604584758 /nfs/dbraw/zinc/58/47/58/604584758.db2.gz IUIUTXUZYQCWMP-GFCCVEGCSA-N -1 1 289.379 2.599 20 0 CFADMM Cc1nc(C)c([C@@H](C)N(C)Cc2c[nH]c(C(=O)[O-])c2)s1 ZINC000833754682 604637257 /nfs/dbraw/zinc/63/72/57/604637257.db2.gz CARODPLYXRDTPD-SECBINFHSA-N -1 1 293.392 2.979 20 0 CFADMM C[C@@H]1C[C@H]1c1ccc(CN2CCSC[C@@H]2CC(=O)[O-])o1 ZINC000091133531 604659387 /nfs/dbraw/zinc/65/93/87/604659387.db2.gz IYUOZQDTFHLUER-NTZNESFSSA-N -1 1 295.404 2.795 20 0 CFADMM C[C@@H]1C[C@H]1c1ccc(CN2CCSC[C@H]2CC(=O)[O-])o1 ZINC000252106215 604659437 /nfs/dbraw/zinc/65/94/37/604659437.db2.gz IYUOZQDTFHLUER-NQBHXWOUSA-N -1 1 295.404 2.795 20 0 CFADMM C[C@H]1CN(Cc2cc(Cl)ccc2F)C[C@@H]1C(=O)[O-] ZINC000165670921 604667412 /nfs/dbraw/zinc/66/74/12/604667412.db2.gz QFQNRIQSVFZFPE-KWQFWETISA-N -1 1 271.719 2.632 20 0 CFADMM CC(C)c1cn(CN2CCC[C@@H]2CC(=O)[O-])c(=S)n1C ZINC000827139043 604974518 /nfs/dbraw/zinc/97/45/18/604974518.db2.gz DCEPDYJNWKIYID-LLVKDONJSA-N -1 1 297.424 2.576 20 0 CFADMM O=C([O-])C[C@H]1CCCN1Cn1ccc(-c2cccs2)n1 ZINC000833211823 604977113 /nfs/dbraw/zinc/97/71/13/604977113.db2.gz ODYLVLSKXVTLLB-LLVKDONJSA-N -1 1 291.376 2.508 20 0 CFADMM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(F)cc1F ZINC000827717521 605006412 /nfs/dbraw/zinc/00/64/12/605006412.db2.gz JFXIJRWCEYNPGY-XPTSAGLGSA-N -1 1 292.285 2.836 20 0 CFADMM C[C@@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccco1 ZINC000833410828 605057265 /nfs/dbraw/zinc/05/72/65/605057265.db2.gz HLXCMHZNLGCPST-MRVPVSSYSA-N -1 1 299.286 2.596 20 0 CFADMM C[C@H]1CC/C(=C/C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)C1 ZINC000833601845 605059364 /nfs/dbraw/zinc/05/93/64/605059364.db2.gz NQFNMXZYIAOIRF-CUQRQBARSA-N -1 1 299.330 2.946 20 0 CFADMM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833605692 605117577 /nfs/dbraw/zinc/11/75/77/605117577.db2.gz KRAZMAKGURYWSR-IUCAKERBSA-N -1 1 290.285 2.876 20 0 CFADMM C/C(=C/CN[C@H](C)c1cccc(F)c1F)C(=O)[O-] ZINC000833385348 605184530 /nfs/dbraw/zinc/18/45/30/605184530.db2.gz SBYMFHOKUHKGSO-JGAIRUGNSA-N -1 1 255.264 2.646 20 0 CFADMM C/C(=C\CN(C)Cc1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000833382192 605246158 /nfs/dbraw/zinc/24/61/58/605246158.db2.gz HVTZEFWRUMPWHD-FPYGCLRLSA-N -1 1 273.254 2.567 20 0 CFADMM CC1=C(C(=O)[O-])C[C@H](CN2CC[C@H]2c2cccc(F)c2)O1 ZINC000833583031 605351912 /nfs/dbraw/zinc/35/19/12/605351912.db2.gz FSIGWKAYLSEERJ-HIFRSBDPSA-N -1 1 291.322 2.720 20 0 CFADMM O=C([O-])N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000834107076 605371662 /nfs/dbraw/zinc/37/16/62/605371662.db2.gz VYNCKSGIISCNBN-NSHDSACASA-N -1 1 278.356 2.710 20 0 CFADMM C[C@H]1CCN(Cc2cccc(C(=O)[O-])c2)C[C@@H]1F ZINC000833615958 605391219 /nfs/dbraw/zinc/39/12/19/605391219.db2.gz OAZRKBWXNYELRW-GWCFXTLKSA-N -1 1 251.301 2.565 20 0 CFADMM CCc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1F ZINC000825717684 607753605 /nfs/dbraw/zinc/75/36/05/607753605.db2.gz OHKHHPXOANJWHR-UHFFFAOYSA-N -1 1 287.298 2.773 20 0 CFADMM CCc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1F ZINC000825717684 607753606 /nfs/dbraw/zinc/75/36/06/607753606.db2.gz OHKHHPXOANJWHR-UHFFFAOYSA-N -1 1 287.298 2.773 20 0 CFADMM O=C([O-])N[C@H]1CCCN(Cc2cc3cc(F)ccc3o2)C1 ZINC000834185375 605486892 /nfs/dbraw/zinc/48/68/92/605486892.db2.gz YMRICQSYKWDVRO-LBPRGKRZSA-N -1 1 292.310 2.804 20 0 CFADMM Cc1cc(CN[C@@H](C)C[C@@H]2CCCCCN2C(=O)[O-])no1 ZINC000830041351 605495504 /nfs/dbraw/zinc/49/55/04/605495504.db2.gz KQJYMRJFENNVAR-FZMZJTMJSA-N -1 1 295.383 2.774 20 0 CFADMM Cc1cncc(CNCc2cccc3c2N(C(=O)[O-])CC3)c1 ZINC000833912618 605583265 /nfs/dbraw/zinc/58/32/65/605583265.db2.gz QQBFSYWGOGQHJB-UHFFFAOYSA-N -1 1 297.358 2.720 20 0 CFADMM C[C@H]1N(Cc2cccc(NC(=O)[O-])c2)CCOC1(C)C ZINC000833838824 605600973 /nfs/dbraw/zinc/60/09/73/605600973.db2.gz QJWOOPBZFFFRJI-LLVKDONJSA-N -1 1 278.352 2.776 20 0 CFADMM CC[C@H](C)[C@H](C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833637356 605627265 /nfs/dbraw/zinc/62/72/65/605627265.db2.gz DGXSJVURQRQNHO-IUCAKERBSA-N -1 1 289.335 2.882 20 0 CFADMM CC(C)CCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820073028 606177197 /nfs/dbraw/zinc/17/71/97/606177197.db2.gz OZNXKHBNYRUQLU-UHFFFAOYSA-N -1 1 280.353 2.521 20 0 CFADMM CC(C)CCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820073028 606177198 /nfs/dbraw/zinc/17/71/98/606177198.db2.gz OZNXKHBNYRUQLU-UHFFFAOYSA-N -1 1 280.353 2.521 20 0 CFADMM CC(C)(C)[C@@H]1CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900577168 620690334 /nfs/dbraw/zinc/69/03/34/620690334.db2.gz KAXIQXCUEIDZAI-LBPRGKRZSA-N -1 1 289.379 2.710 20 0 CFADMM Clc1ccc(N2CCc3ccccc32)nc1-c1nnn[n-]1 ZINC000822579216 606439402 /nfs/dbraw/zinc/43/94/02/606439402.db2.gz XYKRGCLJLCDHBY-UHFFFAOYSA-N -1 1 298.737 2.609 20 0 CFADMM Clc1ccc(N2CCc3ccccc32)nc1-c1nn[n-]n1 ZINC000822579216 606439403 /nfs/dbraw/zinc/43/94/03/606439403.db2.gz XYKRGCLJLCDHBY-UHFFFAOYSA-N -1 1 298.737 2.609 20 0 CFADMM CC[C@H]1C[C@@H](C)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820973463 606470594 /nfs/dbraw/zinc/47/05/94/606470594.db2.gz XMOHWVVEWRFKJV-BDAKNGLRSA-N -1 1 292.774 2.540 20 0 CFADMM CC[C@H]1C[C@@H](C)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820973463 606470595 /nfs/dbraw/zinc/47/05/95/606470595.db2.gz XMOHWVVEWRFKJV-BDAKNGLRSA-N -1 1 292.774 2.540 20 0 CFADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1C ZINC000822254771 606486095 /nfs/dbraw/zinc/48/60/95/606486095.db2.gz QVQWGPDXXBDQAV-UHFFFAOYSA-N -1 1 299.359 2.797 20 0 CFADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C ZINC000822254771 606486096 /nfs/dbraw/zinc/48/60/96/606486096.db2.gz QVQWGPDXXBDQAV-UHFFFAOYSA-N -1 1 299.359 2.797 20 0 CFADMM CCC1(CNc2cccc(-c3nnn[n-]3)n2)CCCC1 ZINC000820962239 606722200 /nfs/dbraw/zinc/72/22/00/606722200.db2.gz LBEMMFKQBZDDDE-UHFFFAOYSA-N -1 1 272.356 2.644 20 0 CFADMM CCC1(CNc2cccc(-c3nn[n-]n3)n2)CCCC1 ZINC000820962239 606722201 /nfs/dbraw/zinc/72/22/01/606722201.db2.gz LBEMMFKQBZDDDE-UHFFFAOYSA-N -1 1 272.356 2.644 20 0 CFADMM C[C@@H]1C[C@@H](C)N(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000820657940 606799096 /nfs/dbraw/zinc/79/90/96/606799096.db2.gz NPPIILXMLNBAJH-GHMZBOCLSA-N -1 1 294.362 2.650 20 0 CFADMM C[C@@H]1C[C@@H](C)N(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000820657940 606799097 /nfs/dbraw/zinc/79/90/97/606799097.db2.gz NPPIILXMLNBAJH-GHMZBOCLSA-N -1 1 294.362 2.650 20 0 CFADMM CC[C@]1(C)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000820956998 606948961 /nfs/dbraw/zinc/94/89/61/606948961.db2.gz LUGQYWHUIHTJJF-LLVKDONJSA-N -1 1 298.803 2.603 20 0 CFADMM CC[C@]1(C)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000820956998 606948962 /nfs/dbraw/zinc/94/89/62/606948962.db2.gz LUGQYWHUIHTJJF-LLVKDONJSA-N -1 1 298.803 2.603 20 0 CFADMM CC[C@@]1(C)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820958635 606949134 /nfs/dbraw/zinc/94/91/34/606949134.db2.gz WIQIIQYZJAQSOG-ZDUSSCGKSA-N -1 1 292.774 2.542 20 0 CFADMM CC[C@@]1(C)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000820958635 606949136 /nfs/dbraw/zinc/94/91/36/606949136.db2.gz WIQIIQYZJAQSOG-ZDUSSCGKSA-N -1 1 292.774 2.542 20 0 CFADMM CCC(CC)(CC)CNc1cccc(-c2nnn[n-]2)n1 ZINC000820887890 607044975 /nfs/dbraw/zinc/04/49/75/607044975.db2.gz WOKAVVGRNCXVOI-UHFFFAOYSA-N -1 1 274.372 2.890 20 0 CFADMM CCC(CC)(CC)CNc1cccc(-c2nn[n-]n2)n1 ZINC000820887890 607044977 /nfs/dbraw/zinc/04/49/77/607044977.db2.gz WOKAVVGRNCXVOI-UHFFFAOYSA-N -1 1 274.372 2.890 20 0 CFADMM CCC(=O)c1ccc(Oc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000825039569 607894622 /nfs/dbraw/zinc/89/46/22/607894622.db2.gz UIDLDWUKXSPJSA-UHFFFAOYSA-N -1 1 295.302 2.647 20 0 CFADMM CCC(=O)c1ccc(Oc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000825039569 607894623 /nfs/dbraw/zinc/89/46/23/607894623.db2.gz UIDLDWUKXSPJSA-UHFFFAOYSA-N -1 1 295.302 2.647 20 0 CFADMM C[C@@H]1Cc2ccccc2[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000825011976 607899048 /nfs/dbraw/zinc/89/90/48/607899048.db2.gz BMSOPJOKDJNOGF-MEBBXXQBSA-N -1 1 292.346 2.607 20 0 CFADMM C[C@@H]1Cc2ccccc2[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000825011976 607899049 /nfs/dbraw/zinc/89/90/49/607899049.db2.gz BMSOPJOKDJNOGF-MEBBXXQBSA-N -1 1 292.346 2.607 20 0 CFADMM CC(C)Oc1ccc(Oc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000824333158 607899353 /nfs/dbraw/zinc/89/93/53/607899353.db2.gz FSNZQSLWNGYKOS-UHFFFAOYSA-N -1 1 297.318 2.841 20 0 CFADMM CC(C)Oc1ccc(Oc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000824333158 607899354 /nfs/dbraw/zinc/89/93/54/607899354.db2.gz FSNZQSLWNGYKOS-UHFFFAOYSA-N -1 1 297.318 2.841 20 0 CFADMM CCN(Cc1ccccc1C)c1cccc(-c2nnn[n-]2)n1 ZINC000825439650 607902128 /nfs/dbraw/zinc/90/21/28/607902128.db2.gz JBWQBTQZZQXFSV-UHFFFAOYSA-N -1 1 294.362 2.597 20 0 CFADMM CCN(Cc1ccccc1C)c1cccc(-c2nn[n-]n2)n1 ZINC000825439650 607902129 /nfs/dbraw/zinc/90/21/29/607902129.db2.gz JBWQBTQZZQXFSV-UHFFFAOYSA-N -1 1 294.362 2.597 20 0 CFADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC000826291427 608112609 /nfs/dbraw/zinc/11/26/09/608112609.db2.gz FLPSRYQPGSOVJN-UHFFFAOYSA-N -1 1 289.339 2.988 20 0 CFADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C1CCCC1 ZINC000824670344 608183506 /nfs/dbraw/zinc/18/35/06/608183506.db2.gz MHOSWSFAHAMCPK-ZCFIWIBFSA-N -1 1 298.803 2.967 20 0 CFADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C1CCCC1 ZINC000824670344 608183508 /nfs/dbraw/zinc/18/35/08/608183508.db2.gz MHOSWSFAHAMCPK-ZCFIWIBFSA-N -1 1 298.803 2.967 20 0 CFADMM CC[C@H]1C[C@@H](C)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000825184757 608187636 /nfs/dbraw/zinc/18/76/36/608187636.db2.gz ZAENHSUGOZLKNK-RQJHMYQMSA-N -1 1 298.803 2.601 20 0 CFADMM CC[C@H]1C[C@@H](C)CN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000825184757 608187638 /nfs/dbraw/zinc/18/76/38/608187638.db2.gz ZAENHSUGOZLKNK-RQJHMYQMSA-N -1 1 298.803 2.601 20 0 CFADMM Cc1ccc(CN(C)c2nc(-c3nn[n-]n3)ccc2C)cc1 ZINC000826287888 608541450 /nfs/dbraw/zinc/54/14/50/608541450.db2.gz IGHNURNBCBAICW-UHFFFAOYSA-N -1 1 294.362 2.515 20 0 CFADMM Cc1ccc(CNc2nc(-c3nn[n-]n3)ccc2C)cc1F ZINC000826288766 608543659 /nfs/dbraw/zinc/54/36/59/608543659.db2.gz VSROBMIYVQFBKH-UHFFFAOYSA-N -1 1 298.325 2.630 20 0 CFADMM CCc1ccccc1CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900801854 620719231 /nfs/dbraw/zinc/71/92/31/620719231.db2.gz ZKLZBTGVHUSLHX-UHFFFAOYSA-N -1 1 297.358 2.552 20 0 CFADMM CC[C@]1(C)CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900884023 620725212 /nfs/dbraw/zinc/72/52/12/620725212.db2.gz CNNZGRVXIVRGPN-MRXNPFEDSA-N -1 1 289.379 2.712 20 0 CFADMM C[N@H+](CC1CC1)Cn1c(Cc2cccs2)n[nH]c1=S ZINC000049516189 617608115 /nfs/dbraw/zinc/60/81/15/617608115.db2.gz HCKRTTWXMBHHIY-UHFFFAOYSA-N -1 1 294.449 2.892 20 0 CFADMM COCc1nc(NC[C@@H](C)c2ccccc2)cc(=O)[n-]1 ZINC000891509972 617642849 /nfs/dbraw/zinc/64/28/49/617642849.db2.gz BDCPKVVSBPUBGB-LLVKDONJSA-N -1 1 273.336 2.544 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC(Cc2ccoc2)C1 ZINC000890568318 617660798 /nfs/dbraw/zinc/66/07/98/617660798.db2.gz CTVPWUOGYHVUIR-UHFFFAOYSA-N -1 1 291.734 2.953 20 0 CFADMM Cc1cscc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891621442 617689467 /nfs/dbraw/zinc/68/94/67/617689467.db2.gz JEASDBYTTRJTHA-UHFFFAOYSA-N -1 1 289.360 2.683 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC1CCCCCC1 ZINC000078776335 617781070 /nfs/dbraw/zinc/78/10/70/617781070.db2.gz WWXZEKHBBMDEDI-UHFFFAOYSA-N -1 1 291.395 2.654 20 0 CFADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000081952363 617795933 /nfs/dbraw/zinc/79/59/33/617795933.db2.gz GYQPVYIBJYPRGD-GHMZBOCLSA-N -1 1 293.411 2.756 20 0 CFADMM C[C@@H](O)c1cc(NC(=O)c2ccccc2[O-])ccc1F ZINC000804802511 617888433 /nfs/dbraw/zinc/88/84/33/617888433.db2.gz IOVNYWAKAYUAEZ-SECBINFHSA-N -1 1 275.279 2.837 20 0 CFADMM Cc1ccn(C[C@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000866869462 617929435 /nfs/dbraw/zinc/92/94/35/617929435.db2.gz VUCSOOLLDSSDJE-VIFPVBQESA-N -1 1 293.754 2.825 20 0 CFADMM COC[C@H](OC(=O)c1cc(-c2ccc(C)o2)n[nH]1)C1CC1 ZINC000178574399 618043835 /nfs/dbraw/zinc/04/38/35/618043835.db2.gz ODYMYYXDDFNWDP-AWEZNQCLSA-N -1 1 290.319 2.560 20 0 CFADMM CSC1(CNC(=O)c2cncc([O-])c2)CCCCC1 ZINC000235206412 618209251 /nfs/dbraw/zinc/20/92/51/618209251.db2.gz CPHQCSUCXNEGKY-UHFFFAOYSA-N -1 1 280.393 2.583 20 0 CFADMM Cc1ccc2c(c1)CCN2C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901321036 620791090 /nfs/dbraw/zinc/79/10/90/620791090.db2.gz DSSFNABZAREDGT-UHFFFAOYSA-N -1 1 295.342 2.571 20 0 CFADMM Cc1oc(C(=O)[O-])cc1CN[C@@H](C)c1cccnc1 ZINC000235526347 618364816 /nfs/dbraw/zinc/36/48/16/618364816.db2.gz JCCSULDWQAENTG-VIFPVBQESA-N -1 1 260.293 2.532 20 0 CFADMM C[C@@H]1CCN(C(=O)NCCc2c(F)cc([O-])cc2F)[C@@H]1C ZINC000927783023 618471179 /nfs/dbraw/zinc/47/11/79/618471179.db2.gz TZPWZHIVPCVTSH-NXEZZACHSA-N -1 1 298.333 2.653 20 0 CFADMM Cc1cnccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C ZINC000311953022 618772054 /nfs/dbraw/zinc/77/20/54/618772054.db2.gz KAOSRBUZIGGYKG-UHFFFAOYSA-N -1 1 297.767 2.548 20 0 CFADMM Cc1nc(C)c(CNCc2cc(C(=O)[O-])c(C)o2)s1 ZINC000312063817 618866083 /nfs/dbraw/zinc/86/60/83/618866083.db2.gz 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/nfs/dbraw/zinc/18/48/75/622184875.db2.gz GYLNJEPMNIBEIV-QWRGUYRKSA-N -1 1 296.798 2.882 20 0 CFADMM CC1(C(=O)Nc2cccc([O-])c2Br)CC1 ZINC000908708842 622267208 /nfs/dbraw/zinc/26/72/08/622267208.db2.gz DCACMRCHTYUKDT-UHFFFAOYSA-N -1 1 270.126 2.893 20 0 CFADMM Cc1c(NC(=O)CN(C)CC(C)(C)C)cccc1C(=O)[O-] ZINC000908845066 622279986 /nfs/dbraw/zinc/27/99/86/622279986.db2.gz WCWLTYCRGGGZJU-UHFFFAOYSA-N -1 1 292.379 2.610 20 0 CFADMM O=C(NCC1CCCCCC1)c1cnc(C2CC2)[n-]c1=O ZINC000908945286 622288196 /nfs/dbraw/zinc/28/81/96/622288196.db2.gz FGQPDXLMVZZJOY-UHFFFAOYSA-N -1 1 289.379 2.760 20 0 CFADMM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1ccc(O)c(Cl)c1 ZINC000909693758 622346092 /nfs/dbraw/zinc/34/60/92/622346092.db2.gz JKROMNBLIAJHTK-AWEZNQCLSA-N -1 1 299.754 2.665 20 0 CFADMM CCC(=O)COC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000909862850 622366006 /nfs/dbraw/zinc/36/60/06/622366006.db2.gz JYTITPNLUFFFIZ-UHFFFAOYSA-N -1 1 277.103 2.835 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CC=CCC1 ZINC000909974507 622378235 /nfs/dbraw/zinc/37/82/35/622378235.db2.gz IGWUTEVAYWXAMG-MRVPVSSYSA-N -1 1 253.248 2.965 20 0 CFADMM CC1(C)CC[C@H](C(=O)Nc2cc([O-])c(F)cc2F)O1 ZINC000909986672 622380279 /nfs/dbraw/zinc/38/02/79/622380279.db2.gz RPEFDIKMVYBAEO-LLVKDONJSA-N -1 1 271.263 2.567 20 0 CFADMM CC[C@@H]1OCCC[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909986138 622380420 /nfs/dbraw/zinc/38/04/20/622380420.db2.gz ANAQSGYBPHSIJW-OQPBUACISA-N -1 1 285.290 2.814 20 0 CFADMM CCC(F)(F)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988772 622382186 /nfs/dbraw/zinc/38/21/86/622382186.db2.gz ZOMNNPKOCUONBZ-UHFFFAOYSA-N -1 1 251.179 2.654 20 0 CFADMM CC1(C)CCC[C@@](O)(C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909988445 622382599 /nfs/dbraw/zinc/38/25/99/622382599.db2.gz KSPYTTPHJBOJPR-HNNXBMFYSA-N -1 1 299.317 2.940 20 0 CFADMM COC[C@@]1(C)CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000833543972 625569595 /nfs/dbraw/zinc/56/95/95/625569595.db2.gz RSRDXLRIGPWMPE-AWEZNQCLSA-N -1 1 283.755 2.544 20 0 CFADMM CCCSCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910983255 622494586 /nfs/dbraw/zinc/49/45/86/622494586.db2.gz FBZWHBHUSZOUTF-UHFFFAOYSA-N -1 1 261.293 2.752 20 0 CFADMM C[C@@H]1C[C@H](C(=O)Nc2cc(F)cc(F)c2[O-])CCC1=O ZINC000910984554 622495080 /nfs/dbraw/zinc/49/50/80/622495080.db2.gz XRGOQXZXWVHITM-HTQZYQBOSA-N -1 1 283.274 2.614 20 0 CFADMM CC(C)(C)c1[nH]cnc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910987250 622496009 /nfs/dbraw/zinc/49/60/09/622496009.db2.gz RNHWXWNITCEBGB-UHFFFAOYSA-N -1 1 295.289 2.943 20 0 CFADMM O=C(Cc1cc(C2CC2)no1)Nc1cc(F)cc(F)c1[O-] ZINC000910994203 622496838 /nfs/dbraw/zinc/49/68/38/622496838.db2.gz TYDVFHHMZDGSQR-UHFFFAOYSA-N -1 1 294.257 2.717 20 0 CFADMM CCC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC000911065663 622502568 /nfs/dbraw/zinc/50/25/68/622502568.db2.gz DOGGIDHMQRDQML-AWEZNQCLSA-N -1 1 290.363 2.506 20 0 CFADMM C[C@@H](CC(=O)[O-])CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000911422360 622521560 /nfs/dbraw/zinc/52/15/60/622521560.db2.gz WCTXRYYWZBITRH-ZCFIWIBFSA-N -1 1 289.690 2.624 20 0 CFADMM O=C([O-])CCCCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000911421289 622521616 /nfs/dbraw/zinc/52/16/16/622521616.db2.gz LINLAKLEODQYOF-UHFFFAOYSA-N -1 1 289.690 2.768 20 0 CFADMM CN(C(=O)c1c([O-])cnc2c(F)cccc21)C(C)(C)C ZINC000911592116 622530625 /nfs/dbraw/zinc/53/06/25/622530625.db2.gz QDRZXRGQFGIENO-UHFFFAOYSA-N -1 1 276.311 2.950 20 0 CFADMM CCC=C(C)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000819961785 622585813 /nfs/dbraw/zinc/58/58/13/622585813.db2.gz MSIALMGVEHOHPU-UITAMQMPSA-N -1 1 260.293 2.747 20 0 CFADMM CC[C@H](O)[C@@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000912126629 622636909 /nfs/dbraw/zinc/63/69/09/622636909.db2.gz RENNJHFEHSFPQP-RYUDHWBXSA-N -1 1 297.782 2.811 20 0 CFADMM CSc1nc(CNC(=O)C(C)=CC(C)(C)C)cc(=O)[n-]1 ZINC000912249331 622672575 /nfs/dbraw/zinc/67/25/75/622672575.db2.gz OYDODTOVIRDLKJ-VQHVLOKHSA-N -1 1 295.408 2.513 20 0 CFADMM COc1cccc(S([O-])=CC(=O)O[C@@H]2CC[C@@H](C)C2)c1 ZINC000820526529 622695074 /nfs/dbraw/zinc/69/50/74/622695074.db2.gz HQTSJIAIZULNNO-JNHSQIPHSA-N -1 1 296.388 2.535 20 0 CFADMM CC1(C)CCCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000820596369 622711942 /nfs/dbraw/zinc/71/19/42/622711942.db2.gz OKNVSDMHFJURGP-LLVKDONJSA-N -1 1 272.356 2.642 20 0 CFADMM CC1(C)CCCC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000820596369 622711945 /nfs/dbraw/zinc/71/19/45/622711945.db2.gz OKNVSDMHFJURGP-LLVKDONJSA-N -1 1 272.356 2.642 20 0 CFADMM C[C@H](CC(=O)Nc1nc(Cl)ccc1[O-])[C@@H]1CCCO1 ZINC000834298054 625592959 /nfs/dbraw/zinc/59/29/59/625592959.db2.gz JDDDGZNXXLTIFQ-SCZZXKLOSA-N -1 1 284.743 2.584 20 0 CFADMM O=C(Nc1nc(Br)ccc1[O-])C1CC2(CC2)C1 ZINC000834298261 625593285 /nfs/dbraw/zinc/59/32/85/625593285.db2.gz MGUMEJAANHAYHG-UHFFFAOYSA-N -1 1 297.152 2.678 20 0 CFADMM COc1cnc(C=Cc2cc(C)c(O)c(C)c2)[n-]c1=O ZINC000821008437 622818721 /nfs/dbraw/zinc/81/87/21/622818721.db2.gz PTOTTYJRCSYSLS-SNAWJCMRSA-N -1 1 272.304 2.684 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1C(F)(F)F ZINC000913019686 622826874 /nfs/dbraw/zinc/82/68/74/622826874.db2.gz GZIDBCSZJAKUIL-JTQLQIEISA-N -1 1 277.217 2.698 20 0 CFADMM O=C(NCC[C@H]1CC=CCC1)c1cnc(C2CC2)[n-]c1=O ZINC000913150651 622842434 /nfs/dbraw/zinc/84/24/34/622842434.db2.gz DUDLPBOUDPFEIE-NSHDSACASA-N -1 1 287.363 2.536 20 0 CFADMM CC[C@H](C)CO[N-]C(=O)C[C@](O)(CC)c1ccccc1 ZINC000840464691 622911830 /nfs/dbraw/zinc/91/18/30/622911830.db2.gz WYLKGXHPJGTAQX-XJKSGUPXSA-N -1 1 279.380 2.768 20 0 CFADMM Cc1ccccc1[C@H](C)C(=O)[N-]OCc1ccccn1 ZINC000822244181 623061836 /nfs/dbraw/zinc/06/18/36/623061836.db2.gz WFAKYJZTXAZSBL-ZDUSSCGKSA-N -1 1 270.332 2.742 20 0 CFADMM CCCCCC[N-]S(=O)(=O)c1cccc(F)c1F ZINC000060356851 623125575 /nfs/dbraw/zinc/12/55/75/623125575.db2.gz NZGGQYBKBUYCLA-UHFFFAOYSA-N -1 1 277.336 2.823 20 0 CFADMM C[C@@H](NCc1cc(C(=O)[O-])co1)c1ccc2c(c1)OCO2 ZINC000228161037 623133690 /nfs/dbraw/zinc/13/36/90/623133690.db2.gz DAADJHSEODCGHB-SECBINFHSA-N -1 1 289.287 2.557 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@]12CCO[C@@H]1CCCC2 ZINC000822977520 623212878 /nfs/dbraw/zinc/21/28/78/623212878.db2.gz 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Cc1ccc(/C=C\C(=O)Nc2c([O-])cccc2F)cn1 ZINC000777874087 628259962 /nfs/dbraw/zinc/25/99/62/628259962.db2.gz ZMSRGERUSAURLG-FPLPWBNLSA-N -1 1 272.279 2.887 20 0 CFADMM CC(C)c1ccc([C@H](C)OC(=O)c2cn[n-]n2)cc1 ZINC000805605159 628297671 /nfs/dbraw/zinc/29/76/71/628297671.db2.gz FXHIVMMBXRXPNU-JTQLQIEISA-N -1 1 259.309 2.846 20 0 CFADMM Cc1cc(Br)c([O-])c(NC(=O)C2=COCC2)c1 ZINC000778448110 628307982 /nfs/dbraw/zinc/30/79/82/628307982.db2.gz MTGIMVOFTZLJJY-UHFFFAOYSA-N -1 1 298.136 2.706 20 0 CFADMM CSCCCCCCNC(=O)c1ncc(C)cc1[O-] ZINC000779081491 628350831 /nfs/dbraw/zinc/35/08/31/628350831.db2.gz AEPKDOXVMVKMTK-UHFFFAOYSA-N -1 1 282.409 2.749 20 0 CFADMM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000780913989 628504286 /nfs/dbraw/zinc/50/42/86/628504286.db2.gz QYNJIMXBKXVVNF-CMPLNLGQSA-N -1 1 279.361 2.900 20 0 CFADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@@H](C)[C@H](C)O1 ZINC000783812249 628747672 /nfs/dbraw/zinc/74/76/72/628747672.db2.gz FXDAPUSEQLFKLW-UTLUCORTSA-N -1 1 283.755 2.684 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20 0 CFADMM CCO[N-]C(=O)Cc1sc(C)nc1-c1cccs1 ZINC000790928163 629271820 /nfs/dbraw/zinc/27/18/20/629271820.db2.gz RLKNLXKDNDFPCS-UHFFFAOYSA-N -1 1 282.390 2.790 20 0 CFADMM CC[C@H](OC(=O)c1ccc([O-])cc1F)C(=O)OC(C)(C)C ZINC000791439994 629315749 /nfs/dbraw/zinc/31/57/49/629315749.db2.gz RYVLSBIOIXHYKF-LBPRGKRZSA-N -1 1 298.310 2.808 20 0 CFADMM Cc1cc(=O)[nH]c(C[NH+]2CCC(C3CCC3)CC2)n1 ZINC000852408066 634740623 /nfs/dbraw/zinc/74/06/23/634740623.db2.gz OCWOJHVSAOIYBH-UHFFFAOYSA-N -1 1 261.369 2.503 20 0 CFADMM O=C(NCc1cccnc1F)c1ccc(Cl)cc1[O-] ZINC000793999327 629608676 /nfs/dbraw/zinc/60/86/76/629608676.db2.gz JGYPMDVQKVCLNB-UHFFFAOYSA-N -1 1 280.686 2.510 20 0 CFADMM O=C(Cc1ccc(Cl)s1)[N-]OC/C=C\Cl ZINC000794306053 629634249 /nfs/dbraw/zinc/63/42/49/629634249.db2.gz PLSZXZXBZDZVPX-RJRFIUFISA-N -1 1 266.149 2.744 20 0 CFADMM CN(C)c1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000795556735 629800433 /nfs/dbraw/zinc/80/04/33/629800433.db2.gz ACTJSCFXQVYSFA-UHFFFAOYSA-N -1 1 282.390 2.615 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@H]2CCCC2(C)C)[n-]1 ZINC000796345866 629906730 /nfs/dbraw/zinc/90/67/30/629906730.db2.gz OATKYBBRQYCEMW-NSHDSACASA-N -1 1 265.309 2.537 20 0 CFADMM CCCC[C@H](C)OC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000796983701 629999849 /nfs/dbraw/zinc/99/98/49/629999849.db2.gz PSALGIVVQQWTPX-VIFPVBQESA-N -1 1 253.298 2.537 20 0 CFADMM COC(=O)c1ccc(C(=O)Oc2ccc3c(c2)CCCC3)[n-]1 ZINC000796996613 630001340 /nfs/dbraw/zinc/00/13/40/630001340.db2.gz KNHGDBQRPWDLIB-UHFFFAOYSA-N -1 1 299.326 2.899 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@@H]2CCC[C@@H](C)[C@@H]2C)[n-]1 ZINC000797048530 630008633 /nfs/dbraw/zinc/00/86/33/630008633.db2.gz IPHJWJUDVXONFI-GBIKHYSHSA-N -1 1 279.336 2.783 20 0 CFADMM Cc1cc(NC(=O)C(=O)c2ccc([O-])cc2)ccc1N(C)C ZINC000798279444 630175915 /nfs/dbraw/zinc/17/59/15/630175915.db2.gz HEGCSDMDKAFJNP-UHFFFAOYSA-N -1 1 298.342 2.588 20 0 CFADMM CCOC(=O)[C@@H](CC(C)C)OC(=O)c1ccc([O-])cc1F ZINC000801852584 630479245 /nfs/dbraw/zinc/47/92/45/630479245.db2.gz DNSKFOJKVYQSHW-CYBMUJFWSA-N -1 1 298.310 2.666 20 0 CFADMM CCC[C@]1(NC(=O)c2c([O-])cccc2Cl)CCOC1 ZINC000804536409 630690743 /nfs/dbraw/zinc/69/07/43/630690743.db2.gz ZBYIDPVIQOJYJG-AWEZNQCLSA-N -1 1 283.755 2.735 20 0 CFADMM CC(C)[C@@H](CO)O[N-]C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000836897995 630911541 /nfs/dbraw/zinc/91/15/41/630911541.db2.gz YYSYUBMEDMJJTF-GXFFZTMASA-N -1 1 285.771 2.508 20 0 CFADMM CCn1ccnc1[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000836949696 630923094 /nfs/dbraw/zinc/92/30/94/630923094.db2.gz MIHADPQETKQXAF-SECBINFHSA-N -1 1 293.754 2.753 20 0 CFADMM O=C([N-]C1(Cc2ccc(F)cc2)CC1)C(F)(F)C(F)F ZINC000836954352 630923982 /nfs/dbraw/zinc/92/39/82/630923982.db2.gz CXRJZIUUUDAFDS-UHFFFAOYSA-N -1 1 293.235 2.917 20 0 CFADMM CN(C(=O)c1c([O-])cccc1Cl)[C@H](CO)CC(C)(C)C ZINC000836972427 630927308 /nfs/dbraw/zinc/92/73/08/630927308.db2.gz QHMFDEUISQGAJK-JTQLQIEISA-N -1 1 299.798 2.915 20 0 CFADMM CC[C@H](C)N1CCN(C(=O)c2cccc(Cl)c2[O-])CC1 ZINC000837004231 630935509 /nfs/dbraw/zinc/93/55/09/630935509.db2.gz FHVVMHBGCXBDMQ-NSHDSACASA-N -1 1 296.798 2.602 20 0 CFADMM [O-]c1ccc(-c2noc(-c3cccnc3F)n2)c(F)c1 ZINC000809469743 631226238 /nfs/dbraw/zinc/22/62/38/631226238.db2.gz HZTJGTNZZFATLR-UHFFFAOYSA-N -1 1 275.214 2.782 20 0 CFADMM COC(=O)c1c[n-]c(SCc2ccc(C)nc2Cl)n1 ZINC000840203132 631379535 /nfs/dbraw/zinc/37/95/35/631379535.db2.gz CVPDPJPBOIZHIW-UHFFFAOYSA-N -1 1 297.767 2.845 20 0 CFADMM CO[N-]C(=O)Cc1sc(SC2CCCC2)nc1C ZINC000841379433 631398364 /nfs/dbraw/zinc/39/83/64/631398364.db2.gz VJTITPPXTYLRMT-UHFFFAOYSA-N -1 1 286.422 2.706 20 0 CFADMM Cc1cc(C(C)(C)C)ccc1OS(=O)(=O)c1c[n-]cn1 ZINC000121519426 631466687 /nfs/dbraw/zinc/46/66/87/631466687.db2.gz BOWZVTRQWPJEFO-UHFFFAOYSA-N -1 1 294.376 2.783 20 0 CFADMM O=C([O-])[C@H](F)CNCc1cccc(OC2CCCC2)c1 ZINC000841815466 631474742 /nfs/dbraw/zinc/47/47/42/631474742.db2.gz JJXFSUWJAWQELG-CQSZACIVSA-N -1 1 281.327 2.520 20 0 CFADMM Cc1ccc2sc(C(=O)[N-]n3ccccc3=O)cc2c1 ZINC000810920183 631475006 /nfs/dbraw/zinc/47/50/06/631475006.db2.gz 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632051034 /nfs/dbraw/zinc/05/10/34/632051034.db2.gz RPAUKCDJQNGWAT-NSHDSACASA-N -1 1 284.153 2.547 20 0 CFADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)CC2(CCC2)O1 ZINC000844100746 632119357 /nfs/dbraw/zinc/11/93/57/632119357.db2.gz LJMCHERDXUROBO-JTQLQIEISA-N -1 1 295.766 2.829 20 0 CFADMM CCN(CCSC)C(=O)c1c([O-])cccc1Cl ZINC000844122822 632123366 /nfs/dbraw/zinc/12/33/66/632123366.db2.gz NLFAVYBULKOMOX-UHFFFAOYSA-N -1 1 273.785 2.871 20 0 CFADMM CC(F)(F)C[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000815067048 632193762 /nfs/dbraw/zinc/19/37/62/632193762.db2.gz OWCZUUWKUKFSJO-AATRIKPKSA-N -1 1 295.738 2.885 20 0 CFADMM CCOC(=O)[C@H](CC1CC1)NCc1cccc([O-])c1Cl ZINC000816566934 632486969 /nfs/dbraw/zinc/48/69/69/632486969.db2.gz LXAFNKRMKBQSTH-LBPRGKRZSA-N -1 1 297.782 2.867 20 0 CFADMM CC[C@@H](C)CO[N-]C(=O)[C@H](c1ccccc1)N(C)CC ZINC000816980802 632544134 /nfs/dbraw/zinc/54/41/34/632544134.db2.gz UGQFMNJTIYPDAE-HIFRSBDPSA-N -1 1 278.396 2.773 20 0 CFADMM CC[C@@H]1C[C@H](NC(=O)c2c([O-])cccc2Cl)CCO1 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CFADMM CN(C)c1ccc(NC(=O)c2cncc([O-])c2)cc1Cl ZINC000109042256 633796973 /nfs/dbraw/zinc/79/69/73/633796973.db2.gz FZMKATKLNMDISY-UHFFFAOYSA-N -1 1 291.738 2.759 20 0 CFADMM Nc1c(Cl)cc(NC(=O)c2cncc([O-])c2)cc1Cl ZINC000109933443 634341998 /nfs/dbraw/zinc/34/19/98/634341998.db2.gz QXSVLHWSVCNWNR-UHFFFAOYSA-N -1 1 298.129 2.929 20 0 CFADMM O=C(Nc1ccnn1C1CCCCC1)c1cncc([O-])c1 ZINC000111556175 635088950 /nfs/dbraw/zinc/08/89/50/635088950.db2.gz REBBQASLHJYIIK-UHFFFAOYSA-N -1 1 286.335 2.741 20 0 CFADMM Cc1nc(-c2ccc(N[C@@H]3C=CCC3)nc2)[n-]c(=O)c1C ZINC000853800600 635111104 /nfs/dbraw/zinc/11/11/04/635111104.db2.gz GMWIEXYDSTZFIZ-CYBMUJFWSA-N -1 1 282.347 2.992 20 0 CFADMM O=C(NCC12CC3CC(CC(C3)C1)C2)c1cncc([O-])c1 ZINC000111776657 635180295 /nfs/dbraw/zinc/18/02/95/635180295.db2.gz SETOGQRLTCOAHR-UHFFFAOYSA-N -1 1 286.375 2.733 20 0 CFADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1C[C@]12CCOC2 ZINC000885676933 635283074 /nfs/dbraw/zinc/28/30/74/635283074.db2.gz XJUSGONWVHIEEW-UHLUBPPHSA-N -1 1 285.702 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BTSDFJIVYGTVFJ-VIFPVBQESA-N -1 1 283.755 2.685 20 0 CFADMM COC(=O)c1c[n-]c(SC[C@@H]2C[C@H]3C=C[C@@H]2C3)n1 ZINC000863323765 637625972 /nfs/dbraw/zinc/62/59/72/637625972.db2.gz SSHXLYVEJNNKKG-AEJSXWLSSA-N -1 1 264.350 2.501 20 0 CFADMM CC(C)c1cnc(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)o1 ZINC000863476762 637672381 /nfs/dbraw/zinc/67/23/81/637672381.db2.gz NMIWUXINGBVRBC-GHMZBOCLSA-N -1 1 280.368 2.872 20 0 CFADMM CC1=C(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CCCO1 ZINC000863477001 637672687 /nfs/dbraw/zinc/67/26/87/637672687.db2.gz RZCXDOLSYSVTPQ-UHFFFAOYSA-N -1 1 299.330 2.601 20 0 CFADMM COCCO[C@@H](C)c1nnc([N-]c2ccccc2)o1 ZINC000863981936 637831931 /nfs/dbraw/zinc/83/19/31/637831931.db2.gz NLPWYZNPWQADSB-JTQLQIEISA-N -1 1 263.297 2.537 20 0 CFADMM Cc1nonc1[N-]C(=O)c1csc(-c2cccs2)n1 ZINC000076279297 650378802 /nfs/dbraw/zinc/37/88/02/650378802.db2.gz CIVVYPIGSMPUPL-UHFFFAOYSA-N -1 1 292.345 2.815 20 0 CFADMM Cc1nocc1Cc1nc(=O)c2c(C)sc(C)c2[n-]1 ZINC000864354932 637951250 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ZINC000229110755 539442028 /nfs/dbraw/zinc/44/20/28/539442028.db2.gz INKHXLOFHRMUBM-UHFFFAOYSA-N -1 1 279.645 2.870 20 0 CFADMM Cc1noc([N-]C(=O)c2nc(-c3ccco3)sc2C)n1 ZINC000078946315 282404376 /nfs/dbraw/zinc/40/43/76/282404376.db2.gz INZIHVRJLWXVCL-UHFFFAOYSA-N -1 1 290.304 2.655 20 0 CFADMM O=C(NCc1ccccc1F)c1c([O-])cccc1F ZINC000163559846 232257928 /nfs/dbraw/zinc/25/79/28/232257928.db2.gz RVCDRVPKOBNPCA-UHFFFAOYSA-N -1 1 263.243 2.600 20 0 CFADMM COC(C)(C)C[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000173859605 232283325 /nfs/dbraw/zinc/28/33/25/232283325.db2.gz PCSJUKMRQGPWDO-VIFPVBQESA-N -1 1 285.771 2.979 20 0 CFADMM CCOc1cc(C[NH+]2CC(CCOC)C2)cc(Cl)c1O ZINC000668472043 539516515 /nfs/dbraw/zinc/51/65/15/539516515.db2.gz SUCHAJGIHUUSHU-UHFFFAOYSA-N -1 1 299.798 2.913 20 0 CFADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)c1 ZINC000176712731 232339960 /nfs/dbraw/zinc/33/99/60/232339960.db2.gz BTEKHRJUWOHHFO-UHFFFAOYSA-N -1 1 295.335 2.949 20 0 CFADMM O=C(NC[C@@H]1Cc2ccccc21)c1cc(F)ccc1[O-] 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C[C@@H](c1ccccn1)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000124645800 347825615 /nfs/dbraw/zinc/82/56/15/347825615.db2.gz TVTDOACULJMAHQ-LBPRGKRZSA-N -1 1 282.343 2.899 20 0 CFADMM CC(C)CN(C(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000128637553 187381609 /nfs/dbraw/zinc/38/16/09/187381609.db2.gz CJQXOMUQCYPZOL-UHFFFAOYSA-N -1 1 251.301 2.792 20 0 CFADMM CC[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(F)cc1F ZINC000132102848 347882682 /nfs/dbraw/zinc/88/26/82/347882682.db2.gz ZFHJUGLXPDMLGM-CQSZACIVSA-N -1 1 292.285 2.947 20 0 CFADMM C[C@@H](CNC(=O)c1ccc(Br)cc1[O-])C1CC1 ZINC000133477622 347892116 /nfs/dbraw/zinc/89/21/16/347892116.db2.gz MXZPFFLTDRTKLQ-QMMMGPOBSA-N -1 1 298.180 2.931 20 0 CFADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)[nH]n1 ZINC000134707102 347900728 /nfs/dbraw/zinc/90/07/28/347900728.db2.gz PXYQZLOTDZNUKY-UHFFFAOYSA-N -1 1 297.355 2.647 20 0 CFADMM C[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])[C@H](C)C1 ZINC000128653762 187382222 /nfs/dbraw/zinc/38/22/22/187382222.db2.gz QLUMLNQFVKLBBO-NXEZZACHSA-N -1 1 251.301 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CFADMM CC1(C)CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000072827434 374289170 /nfs/dbraw/zinc/28/91/70/374289170.db2.gz IXAMBQRLMXOYQG-UHFFFAOYSA-N -1 1 263.366 2.629 20 0 CFADMM CC(C)Oc1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1 ZINC000491597349 541929218 /nfs/dbraw/zinc/92/92/18/541929218.db2.gz UIGCAMMGSWQUMA-UHFFFAOYSA-N -1 1 281.315 2.772 20 0 CFADMM CC[C@@H](C)[C@@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000081589516 374707607 /nfs/dbraw/zinc/70/76/07/374707607.db2.gz INJTXXUPFYNSKJ-NXEZZACHSA-N -1 1 293.411 2.540 20 0 CFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCCC(C)(C)C ZINC000081803157 374716973 /nfs/dbraw/zinc/71/69/73/374716973.db2.gz SWMKQZZYEOJKAH-UHFFFAOYSA-N -1 1 297.424 2.769 20 0 CFADMM CC(C)C[C@@H](CCO)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000081821670 374718447 /nfs/dbraw/zinc/71/84/47/374718447.db2.gz DSAKVWJRRONHMO-LLVKDONJSA-N -1 1 299.798 2.820 20 0 CFADMM CCC[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCO1 ZINC000089944453 374974897 /nfs/dbraw/zinc/97/48/97/374974897.db2.gz YMCHCTZTRMUVKC-LLVKDONJSA-N -1 1 283.755 2.687 20 0 CFADMM CC(C)(C)c1csc(CN2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000094969202 375401395 /nfs/dbraw/zinc/40/13/95/375401395.db2.gz HQOVZZBODDXBBB-SNVBAGLBSA-N -1 1 282.409 2.737 20 0 CFADMM COC(=O)[C@@H](CC(C)C)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000506431474 247159074 /nfs/dbraw/zinc/15/90/74/247159074.db2.gz HEVUTIUYSWMZGT-LLVKDONJSA-N -1 1 296.392 2.739 20 0 CFADMM Cc1ccncc1[C@H](C)NC(=O)c1cc(F)ccc1[O-] ZINC000678419114 542022689 /nfs/dbraw/zinc/02/26/89/542022689.db2.gz LCXISSDCBFLVSD-JTQLQIEISA-N -1 1 274.295 2.726 20 0 CFADMM O=c1nc(C[N@H+]2CCC[C@@H]2C2CCC2)[n-]c2ccsc21 ZINC000102926815 375702459 /nfs/dbraw/zinc/70/24/59/375702459.db2.gz WVGQRZHXBXTJRK-GFCCVEGCSA-N -1 1 289.404 2.749 20 0 CFADMM CN(CC(F)F)C(=O)c1ccc2ccccc2c1[O-] ZINC000103398839 375740746 /nfs/dbraw/zinc/74/07/46/375740746.db2.gz NSTYAZCIGCQLAW-UHFFFAOYSA-N -1 1 265.259 2.883 20 0 CFADMM CC(C)(C)CCCCNC(=O)c1cncc([O-])c1 ZINC000111609400 375857631 /nfs/dbraw/zinc/85/76/31/375857631.db2.gz 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/nfs/dbraw/zinc/01/63/17/376016317.db2.gz VARFTWKXXNHEGX-GOSISDBHSA-N -1 1 296.370 2.981 20 0 CFADMM Cc1ccc(F)c(C(=O)Nc2cc(-c3nccn3C)n[nH]2)c1 ZINC000119297031 376389134 /nfs/dbraw/zinc/38/91/34/376389134.db2.gz JKGRGYAUGFSFCB-UHFFFAOYSA-N -1 1 299.309 2.510 20 0 CFADMM CCOc1ccc(CSc2nc(C)c(C)c(=O)[n-]2)nc1 ZINC000679009214 542108901 /nfs/dbraw/zinc/10/89/01/542108901.db2.gz JEZMQAISJRKRPB-UHFFFAOYSA-N -1 1 291.376 2.885 20 0 CFADMM CC(C)(C)C[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000124364118 377041618 /nfs/dbraw/zinc/04/16/18/377041618.db2.gz QYICWMBJBLAZBP-LLVKDONJSA-N -1 1 262.353 2.828 20 0 CFADMM CCCCCc1nnc([N-]C(=O)c2cocn2)s1 ZINC000264289574 383720945 /nfs/dbraw/zinc/72/09/45/383720945.db2.gz WMXNXSZCSQUXAO-UHFFFAOYSA-N -1 1 266.326 2.511 20 0 CFADMM CCC[C@@H](O)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000679644559 542219708 /nfs/dbraw/zinc/21/97/08/542219708.db2.gz QSNKYJCSDNLCAN-SECBINFHSA-N -1 1 257.717 2.535 20 0 CFADMM Cc1ccc([C@@H](C)CNC(=O)c2cncc([O-])c2)cc1 ZINC000132161498 377809301 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C[C@@H]1CC(C)(C)CN1C(=O)c1c(F)ccc([O-])c1F ZINC000335207742 296283952 /nfs/dbraw/zinc/28/39/52/296283952.db2.gz HBFQLOCKPOAHHO-MRVPVSSYSA-N -1 1 269.291 2.931 20 0 CFADMM C[C@@]1(C(=O)[O-])CCN(Cc2ccc(Cl)cc2F)C1 ZINC000162552242 378916886 /nfs/dbraw/zinc/91/68/86/378916886.db2.gz CJMAGWGMXHKKIK-CYBMUJFWSA-N -1 1 271.719 2.776 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@@H](C2CC2)C1 ZINC000334278706 379022804 /nfs/dbraw/zinc/02/28/04/379022804.db2.gz FFBDUGJRDCXNJM-MRXNPFEDSA-N -1 1 297.354 2.796 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@H](C2CC2)C1 ZINC000334278704 379023489 /nfs/dbraw/zinc/02/34/89/379023489.db2.gz FFBDUGJRDCXNJM-INIZCTEOSA-N -1 1 297.354 2.796 20 0 CFADMM CCn1ccnc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000334286459 379034735 /nfs/dbraw/zinc/03/47/35/379034735.db2.gz CGCDSPCXEMTIOT-UHFFFAOYSA-N -1 1 265.700 2.514 20 0 CFADMM C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])c2ccccc2O1 ZINC000335292492 379035480 /nfs/dbraw/zinc/03/54/80/379035480.db2.gz HNWXTPMCRNWOGD-JTQLQIEISA-N -1 1 287.290 2.959 20 0 CFADMM C[C@H]1CN(C(=O)c2ccccc2[O-])c2ccccc2O1 ZINC000335293226 379037277 /nfs/dbraw/zinc/03/72/77/379037277.db2.gz RVUVXCGZLDNBEX-NSHDSACASA-N -1 1 269.300 2.820 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCCc2cc(F)ccc21 ZINC000336237403 296290054 /nfs/dbraw/zinc/29/00/54/296290054.db2.gz VFVPFXMDLWBGQI-UHFFFAOYSA-N -1 1 272.279 2.519 20 0 CFADMM CC(C)n1ncnc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000278750725 194137359 /nfs/dbraw/zinc/13/73/59/194137359.db2.gz WHJKNLGHNBGELU-UHFFFAOYSA-N -1 1 291.380 2.524 20 0 CFADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1cc(F)ccc1[O-] ZINC000336541617 296292686 /nfs/dbraw/zinc/29/26/86/296292686.db2.gz CFNMTTOOEXHOIK-SNVBAGLBSA-N -1 1 263.312 2.936 20 0 CFADMM O=C(c1ncccc1[O-])N1Cc2cccc(Cl)c2C1 ZINC000334396541 379222968 /nfs/dbraw/zinc/22/29/68/379222968.db2.gz BZBVQZBAAUVQGB-UHFFFAOYSA-N -1 1 274.707 2.597 20 0 CFADMM C[C@@H]1CCN(Cc2c(F)cccc2F)C[C@@H]1C(=O)[O-] ZINC000335424238 379270592 /nfs/dbraw/zinc/27/05/92/379270592.db2.gz NSZNBFFDZPSQHU-ZJUUUORDSA-N -1 1 269.291 2.507 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270.332 2.538 20 0 CFADMM CC1(C(N)=O)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000335527457 379456119 /nfs/dbraw/zinc/45/61/19/379456119.db2.gz CPFWYMWRVPVUKL-UHFFFAOYSA-N -1 1 284.315 2.543 20 0 CFADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1c(F)cccc1F ZINC000334602106 379604320 /nfs/dbraw/zinc/60/43/20/379604320.db2.gz JSWWFPIEHBKHAE-VHSXEESVSA-N -1 1 269.291 2.650 20 0 CFADMM C[C@@H]1[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1(F)F ZINC000335660440 379675946 /nfs/dbraw/zinc/67/59/46/379675946.db2.gz SCTYIOFWRNGERW-ANLVUFKYSA-N -1 1 261.655 2.885 20 0 CFADMM Cc1ccsc1S(=O)(=O)[N-]c1ccccc1F ZINC000335678326 379708032 /nfs/dbraw/zinc/70/80/32/379708032.db2.gz RFUHYFIFWPPFMG-UHFFFAOYSA-N -1 1 271.338 2.996 20 0 CFADMM Cc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)s1 ZINC000335712160 379766119 /nfs/dbraw/zinc/76/61/19/379766119.db2.gz LLXGQLZFYMYSIS-UHFFFAOYSA-N -1 1 283.299 2.970 20 0 CFADMM O=S(=O)([N-]c1ccccc1F)c1cccc(F)c1F ZINC000334734913 379847201 /nfs/dbraw/zinc/84/72/01/379847201.db2.gz JBZXSYLRRAVLPG-UHFFFAOYSA-N -1 1 287.262 2.905 20 0 CFADMM O=C(NC1CCC(F)(F)CC1)c1c([O-])cccc1F ZINC000335772974 379864218 /nfs/dbraw/zinc/86/42/18/379864218.db2.gz GDNAMZWEAMXGSM-UHFFFAOYSA-N -1 1 273.254 2.839 20 0 CFADMM CC(C)[C@@H]1CN(C(=O)c2ncccc2[O-])[C@@H]1C(C)C ZINC000334743762 379865700 /nfs/dbraw/zinc/86/57/00/379865700.db2.gz MORBDKQKLMHIMK-SMDDNHRTSA-N -1 1 262.353 2.540 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2ccncc2)cc(C)c1F ZINC000173998679 379813169 /nfs/dbraw/zinc/81/31/69/379813169.db2.gz ZIVZZWGKDQZUCF-UHFFFAOYSA-N -1 1 280.324 2.638 20 0 CFADMM COc1cc(C(=O)N2C[C@@H](C)C[C@H]2C)cc(Cl)c1[O-] ZINC000335800991 379911627 /nfs/dbraw/zinc/91/16/27/379911627.db2.gz SKIAQOHWAUJLMU-DTWKUNHWSA-N -1 1 283.755 2.925 20 0 CFADMM C[C@@H]1CC[C@]2(CCN(C(=O)C(=O)c3ccc([O-])cc3)C2)C1 ZINC000335791719 379895440 /nfs/dbraw/zinc/89/54/40/379895440.db2.gz BSVTVYDCIYLEGR-PXAZEXFGSA-N -1 1 287.359 2.614 20 0 CFADMM COc1cc(C(=O)N[C@@H]2CC[C@@H](F)C2)cc(Cl)c1[O-] ZINC000335204825 380004774 /nfs/dbraw/zinc/00/47/74/380004774.db2.gz 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ZINC000237727774 131054725 /nfs/dbraw/zinc/05/47/25/131054725.db2.gz AEWBQCHSASRIEA-QGZVFWFLSA-N -1 1 299.370 2.615 20 0 CFADMM CC(C)(C)c1nsc([N-]C(=O)c2cscn2)n1 ZINC000264047619 131387054 /nfs/dbraw/zinc/38/70/54/131387054.db2.gz BKPVTLCKQWIABR-UHFFFAOYSA-N -1 1 268.367 2.544 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c(C)s1 ZINC000268483892 132015604 /nfs/dbraw/zinc/01/56/04/132015604.db2.gz LYBIBFXBPZLFCK-UHFFFAOYSA-N -1 1 297.405 2.766 20 0 CFADMM O=C([N-]c1c(F)cc(F)cc1F)c1nccs1 ZINC000683744125 542718364 /nfs/dbraw/zinc/71/83/64/542718364.db2.gz UNLDPGGVIIPFOV-UHFFFAOYSA-N -1 1 258.224 2.813 20 0 CFADMM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(F)cc2[O-])O1 ZINC000269035869 132101982 /nfs/dbraw/zinc/10/19/82/132101982.db2.gz NPLDHJABJOJYQW-MWLCHTKSSA-N -1 1 267.300 2.818 20 0 CFADMM CCc1cncc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000684057202 542759954 /nfs/dbraw/zinc/75/99/54/542759954.db2.gz KXEHEMNNSTYJNY-UHFFFAOYSA-N -1 1 260.268 2.741 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(C)c1O ZINC000047383623 393587133 /nfs/dbraw/zinc/58/71/33/393587133.db2.gz IKRMFZKOKDIVNH-UHFFFAOYSA-N -1 1 295.335 2.949 20 0 CFADMM Cc1nnc(NC(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000192171138 393615369 /nfs/dbraw/zinc/61/53/69/393615369.db2.gz DQHITUFXFVSHCU-UHFFFAOYSA-N -1 1 284.728 2.850 20 0 CFADMM O=C(Nc1ccc2scnc2c1)c1ccc(O)cc1[O-] ZINC000195386156 393739279 /nfs/dbraw/zinc/73/92/79/393739279.db2.gz UWURIOYMXFJCMG-UHFFFAOYSA-N -1 1 286.312 2.960 20 0 CFADMM COc1ccc2c(c1)[nH]nc2NC(=O)c1ccccc1[O-] ZINC000194816834 393717875 /nfs/dbraw/zinc/71/78/75/393717875.db2.gz OJBHQQYSLDLSFO-UHFFFAOYSA-N -1 1 283.287 2.529 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2cccnc2C)c(C)c1 ZINC000080764608 393727901 /nfs/dbraw/zinc/72/79/01/393727901.db2.gz OHEXQIZNOWWJTK-UHFFFAOYSA-N -1 1 276.361 2.808 20 0 CFADMM O=C(NC[C@@H]1CCCCS1)c1c([O-])cccc1F ZINC000228866787 393776250 /nfs/dbraw/zinc/77/62/50/393776250.db2.gz CGGOAADNMRWDIS-VIFPVBQESA-N -1 1 269.341 2.547 20 0 CFADMM COc1cc(C(=O)[N-]c2nc3c(cccc3C)s2)on1 ZINC000090706854 393781241 /nfs/dbraw/zinc/78/12/41/393781241.db2.gz MJJIWVSJLDRXCI-UHFFFAOYSA-N -1 1 289.316 2.854 20 0 CFADMM CC(C)c1nc(CN2CC[C@H](C(=O)[O-])[C@H]2C)cs1 ZINC000092939542 393794897 /nfs/dbraw/zinc/79/48/97/393794897.db2.gz PRKLVMYEFINCDL-KOLCDFICSA-N -1 1 268.382 2.562 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)C2(CC(C)C)CCC2)n1 ZINC000415644742 393814634 /nfs/dbraw/zinc/81/46/34/393814634.db2.gz GEVRWOHGDFBOCS-UHFFFAOYSA-N -1 1 293.367 2.741 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)[C@H]2CCCCC2(C)C)[n-]1 ZINC000415652830 393814720 /nfs/dbraw/zinc/81/47/20/393814720.db2.gz WJGYUBYUGRNUCJ-SNVBAGLBSA-N -1 1 293.367 2.741 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2CCCCC2(C)C)n1 ZINC000415652830 393814723 /nfs/dbraw/zinc/81/47/23/393814723.db2.gz WJGYUBYUGRNUCJ-SNVBAGLBSA-N -1 1 293.367 2.741 20 0 CFADMM Cc1cnc(C(=O)NC2CCC(C(F)F)CC2)c([O-])c1 ZINC000458178943 393865400 /nfs/dbraw/zinc/86/54/00/393865400.db2.gz KXOFDRRWFVDEJX-UHFFFAOYSA-N -1 1 284.306 2.649 20 0 CFADMM O=C(N[C@@H]1CC12CC2)c1cc2ccccc2cc1[O-] ZINC000424966371 393867255 /nfs/dbraw/zinc/86/72/55/393867255.db2.gz CLHBWXMMIJEUIR-CQSZACIVSA-N -1 1 253.301 2.828 20 0 CFADMM CO[C@H](CC(C)C)C(=O)Nc1ccc(F)cc1[O-] ZINC000416182638 393883118 /nfs/dbraw/zinc/88/31/18/393883118.db2.gz VTJQCIXUTQLIIA-GFCCVEGCSA-N -1 1 255.289 2.531 20 0 CFADMM Cc1cnc(C(=O)N2Cc3ccccc3[C@H]2C)c([O-])c1 ZINC000427250153 393892059 /nfs/dbraw/zinc/89/20/59/393892059.db2.gz NJWVFCMUZOPGCS-LLVKDONJSA-N -1 1 268.316 2.813 20 0 CFADMM CC(C)[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1sccc1F ZINC000416549471 393927136 /nfs/dbraw/zinc/92/71/36/393927136.db2.gz OMFBWWZPUHVTME-MWLCHTKSSA-N -1 1 277.386 2.600 20 0 CFADMM Cc1ccc(CNC(=O)c2c([O-])cccc2F)s1 ZINC000119954440 393927197 /nfs/dbraw/zinc/92/71/97/393927197.db2.gz SMHYZXZTZWFYOV-UHFFFAOYSA-N -1 1 265.309 2.831 20 0 CFADMM C[C@]1([N-]S(=O)(=O)c2cccc(F)c2F)CC=CCC1 ZINC000416562288 393929352 /nfs/dbraw/zinc/92/93/52/393929352.db2.gz WLFWWLDNEIOSCM-ZDUSSCGKSA-N -1 1 287.331 2.742 20 0 CFADMM CC(C)c1cc(NC(C)(C)CCC(=O)[O-])nc(N(C)C)n1 ZINC000416430002 393919441 /nfs/dbraw/zinc/91/94/41/393919441.db2.gz YUGUZPXHMAMWJT-UHFFFAOYSA-N -1 1 294.399 2.721 20 0 CFADMM CCO[C@H]1C[C@H](NC(=O)c2cc(F)ccc2[O-])C12CCC2 ZINC000436589290 394021130 /nfs/dbraw/zinc/02/11/30/394021130.db2.gz JVTIYLZLQQTICM-KBPBESRZSA-N -1 1 293.338 2.609 20 0 CFADMM Cc1ccc([C@H](NCc2cnc(C3CC3)nc2)C(=O)[O-])cc1 ZINC000417534326 393972136 /nfs/dbraw/zinc/97/21/36/393972136.db2.gz OBJDUMILZMQWTO-HNNXBMFYSA-N -1 1 297.358 2.578 20 0 CFADMM O=C([O-])C1(NCc2csc(Cl)c2Cl)CC1 ZINC000417533531 393972541 /nfs/dbraw/zinc/97/25/41/393972541.db2.gz MWKKDRODHPMYMJ-UHFFFAOYSA-N -1 1 266.149 2.762 20 0 CFADMM O=C(NCc1ccc(O)cc1)c1cc(Cl)ccc1[O-] ZINC000123382718 393980236 /nfs/dbraw/zinc/98/02/36/393980236.db2.gz WYVLYEVQVGMSRR-UHFFFAOYSA-N -1 1 277.707 2.681 20 0 CFADMM COC[C@@](C)(NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000417595559 393981226 /nfs/dbraw/zinc/98/12/26/393981226.db2.gz XTIVNPSRLSDQSL-SNVBAGLBSA-N -1 1 298.191 2.634 20 0 CFADMM CC(C)=CCSC[C@@H](NCc1cccs1)C(=O)[O-] ZINC000417633365 393987514 /nfs/dbraw/zinc/98/75/14/393987514.db2.gz YAZJIYPHPVFBJL-GFCCVEGCSA-N -1 1 285.434 2.990 20 0 CFADMM Cc1ccc(CNCc2ccc(C(=O)[O-])c(C)c2)o1 ZINC000417668910 393991831 /nfs/dbraw/zinc/99/18/31/393991831.db2.gz LGJBADVKGWYRMU-UHFFFAOYSA-N -1 1 259.305 2.884 20 0 CFADMM CCN1C[C@@H](C)N(C(=O)c2ccc([O-])c(Cl)c2)C[C@@H]1C ZINC000436835819 394026831 /nfs/dbraw/zinc/02/68/31/394026831.db2.gz FNLRATDEVXHWGF-WDEREUQCSA-N -1 1 296.798 2.600 20 0 CFADMM CC[C@H](NC(=O)c1ncccc1[O-])c1nc2ccccc2[nH]1 ZINC000125840984 394014465 /nfs/dbraw/zinc/01/44/65/394014465.db2.gz QIEDNWOWKSCZEH-JTQLQIEISA-N -1 1 296.330 2.545 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)C2=CCCCC2)c1 ZINC000281950067 394100320 /nfs/dbraw/zinc/10/03/20/394100320.db2.gz AKYILIJBYGMWSO-UHFFFAOYSA-N -1 1 275.304 2.618 20 0 CFADMM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000436940165 394037611 /nfs/dbraw/zinc/03/76/11/394037611.db2.gz UMACYMUQUYXCDW-RFAUZJTJSA-N -1 1 287.290 2.783 20 0 CFADMM O=C(N[C@H]1COc2ccc(F)cc21)c1c([O-])cccc1F ZINC000436987264 394041393 /nfs/dbraw/zinc/04/13/93/394041393.db2.gz IQHDPECGVYZYPJ-NSHDSACASA-N -1 1 291.253 2.534 20 0 CFADMM CC1(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)CC1 ZINC000419912101 394068018 /nfs/dbraw/zinc/06/80/18/394068018.db2.gz GYUACKZLUZAFIL-UHFFFAOYSA-N -1 1 277.274 2.515 20 0 CFADMM [O-]c1ccc(F)cc1-c1nc(-c2ccccn2)no1 ZINC000128809114 394076973 /nfs/dbraw/zinc/07/69/73/394076973.db2.gz QMAWQLICDOCXGZ-UHFFFAOYSA-N -1 1 257.224 2.643 20 0 CFADMM O=C(CC1CCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000439054006 394096140 /nfs/dbraw/zinc/09/61/40/394096140.db2.gz DBSBKPORBBHCJM-UHFFFAOYSA-N -1 1 271.320 2.911 20 0 CFADMM O=C([O-])c1ccnc(/C=C/c2cc(F)c(O)c(F)c2)c1 ZINC000436858993 394029466 /nfs/dbraw/zinc/02/94/66/394029466.db2.gz JEEAXYUWKARGTJ-OWOJBTEDSA-N -1 1 277.226 2.934 20 0 CFADMM CCC(O)(CC)CCNC(=O)c1ccc(Cl)cc1[O-] ZINC000436891109 394031910 /nfs/dbraw/zinc/03/19/10/394031910.db2.gz FHTGOFHAQBEIEV-UHFFFAOYSA-N -1 1 285.771 2.717 20 0 CFADMM CC[C@H](C[C@H](C)CO)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436905342 394033959 /nfs/dbraw/zinc/03/39/59/394033959.db2.gz NVMWSFMHTFCXKG-GXSJLCMTSA-N -1 1 285.771 2.573 20 0 CFADMM O=C(Nc1ccc(CO)c(Cl)c1)c1ccccc1[O-] ZINC000436912431 394033997 /nfs/dbraw/zinc/03/39/97/394033997.db2.gz CXASWKUMAFCKJR-UHFFFAOYSA-N -1 1 277.707 2.790 20 0 CFADMM Cn1ccc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc21 ZINC000436930128 394035183 /nfs/dbraw/zinc/03/51/83/394035183.db2.gz FUJDGTYFZCFQGA-UHFFFAOYSA-N -1 1 294.310 2.705 20 0 CFADMM O=C(NC1CCCC1)c1ccc(Br)c([O-])c1 ZINC000132861808 394164187 /nfs/dbraw/zinc/16/41/87/394164187.db2.gz IMUKSMBAQKNPBD-UHFFFAOYSA-N -1 1 284.153 2.827 20 0 CFADMM Cc1noc([N-]C(=O)c2cc(F)c(Cl)cc2F)n1 ZINC000136556715 394234860 /nfs/dbraw/zinc/23/48/60/394234860.db2.gz ILHRNGMXHLLRIT-UHFFFAOYSA-N -1 1 273.626 2.562 20 0 CFADMM CCC[C@@H](NC(=O)[C@@H](C)CC1CCCCC1)c1nn[n-]n1 ZINC000136720672 394236038 /nfs/dbraw/zinc/23/60/38/394236038.db2.gz XASDAFVCXBZRKZ-WCQYABFASA-N -1 1 293.415 2.764 20 0 CFADMM O=C(NC1Cc2ccccc2C1)c1ccc(Cl)cc1[O-] ZINC000141173636 394246124 /nfs/dbraw/zinc/24/61/24/394246124.db2.gz NQXVCNFQEYWQRM-UHFFFAOYSA-N -1 1 287.746 2.943 20 0 CFADMM Cn1ccc(/C=C\C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000493452210 394246760 /nfs/dbraw/zinc/24/67/60/394246760.db2.gz LYUGKZDOEUAGPB-DJWKRKHSSA-N -1 1 260.268 2.522 20 0 CFADMM CC1(C[N-]S(=O)(=O)c2cc3ccccc3o2)CCC1 ZINC000150838951 394254555 /nfs/dbraw/zinc/25/45/55/394254555.db2.gz RJCFAEQEZUOTBG-UHFFFAOYSA-N -1 1 279.361 2.901 20 0 CFADMM CCC(C)(C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000133878529 394184775 /nfs/dbraw/zinc/18/47/75/394184775.db2.gz MKZMHDANVQVSMD-UHFFFAOYSA-N -1 1 267.350 2.900 20 0 CFADMM CC(C)c1n[n-]c(=N[C@H]2CN(C)Cc3ccccc32)s1 ZINC000363449839 394196389 /nfs/dbraw/zinc/19/63/89/394196389.db2.gz NEPBYZKKHRPNER-ZDUSSCGKSA-N -1 1 288.420 2.682 20 0 CFADMM COCc1nc(=N[C@H](C)CCCC(F)(F)F)s[n-]1 ZINC000493541324 394272405 /nfs/dbraw/zinc/27/24/05/394272405.db2.gz FNJZCNWQPCGISW-SSDOTTSWSA-N -1 1 283.319 2.639 20 0 CFADMM COC(=O)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000153354286 394282571 /nfs/dbraw/zinc/28/25/71/394282571.db2.gz FVDAUHXVETVNFG-UHFFFAOYSA-N -1 1 295.678 2.678 20 0 CFADMM COc1ccccc1C1CC([N-]C(=O)C(F)(F)F)C1 ZINC000370818862 394291889 /nfs/dbraw/zinc/29/18/89/394291889.db2.gz KQMDJBOLPMBWFB-UHFFFAOYSA-N -1 1 273.254 2.620 20 0 CFADMM C[C@](CO)(NC(=O)c1c([O-])cccc1F)C1CCCCC1 ZINC000157930059 394352103 /nfs/dbraw/zinc/35/21/03/394352103.db2.gz MMSXNLOXVCFXPV-MRXNPFEDSA-N -1 1 295.354 2.592 20 0 CFADMM C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2cccc(F)c2[O-])C1 ZINC000527614214 394391786 /nfs/dbraw/zinc/39/17/86/394391786.db2.gz MODGQJVQDGADOK-WPRPVWTQSA-N -1 1 289.310 2.559 20 0 CFADMM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451063282 394353264 /nfs/dbraw/zinc/35/32/64/394353264.db2.gz UXDOEPCFSDKMFQ-PSASIEDQSA-N -1 1 283.324 2.506 20 0 CFADMM C[C@]12CCN(Cc3csc(C(=O)[O-])c3)C[C@H]1C2(F)F ZINC000519767321 394377937 /nfs/dbraw/zinc/37/79/37/394377937.db2.gz IAIQYTSBJYXAMM-PWSUYJOCSA-N -1 1 287.331 2.923 20 0 CFADMM CCC[C@@H](NC(=O)CCCC1CCCCC1)c1nn[n-]n1 ZINC000176764138 394381724 /nfs/dbraw/zinc/38/17/24/394381724.db2.gz IMJGUMYEPKXBLL-CYBMUJFWSA-N -1 1 293.415 2.908 20 0 CFADMM Cc1[nH]nc(C(=O)Nc2ccc(F)c(C3CC3)c2)c1[O-] ZINC000684997461 542885504 /nfs/dbraw/zinc/88/55/04/542885504.db2.gz XBJPOQAHRWVKLL-UHFFFAOYSA-N -1 1 275.283 2.693 20 0 CFADMM CC(C)(C)c1nc(=NC[C@@H]2CCN2C2CCCC2)s[n-]1 ZINC000528209206 394402852 /nfs/dbraw/zinc/40/28/52/394402852.db2.gz LZRPOJYGDQFDFR-LBPRGKRZSA-N -1 1 294.468 2.686 20 0 CFADMM Cc1noc(C)c1[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000685435676 542913084 /nfs/dbraw/zinc/91/30/84/542913084.db2.gz HWAZXZLEEWFFOV-LURJTMIESA-N -1 1 296.273 2.766 20 0 CFADMM CN(CCOC(C)(C)C)C(=O)c1c(F)ccc([O-])c1F ZINC000685451026 542915461 /nfs/dbraw/zinc/91/54/61/542915461.db2.gz GKBPPYISKUQJKI-UHFFFAOYSA-N -1 1 287.306 2.558 20 0 CFADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cccc(F)c1O ZINC000530144742 394461043 /nfs/dbraw/zinc/46/10/43/394461043.db2.gz KCHYAYRQMPGRLN-VIFPVBQESA-N -1 1 275.345 2.852 20 0 CFADMM Cc1ccc([C@H]2CCCN2Cc2cnc(C(=O)[O-])cn2)cc1 ZINC000530162451 394463042 /nfs/dbraw/zinc/46/30/42/394463042.db2.gz PAUOPITWPGRQBG-MRXNPFEDSA-N -1 1 297.358 2.820 20 0 CFADMM Cc1ccccc1[C@H](C)N(C)Cc1cnc(C(=O)[O-])cn1 ZINC000530163087 394463912 /nfs/dbraw/zinc/46/39/12/394463912.db2.gz WFXMUPFBWDFDFD-LBPRGKRZSA-N -1 1 285.347 2.676 20 0 CFADMM CCc1ncnc(CC)c1C(=O)Nc1cccc(F)c1[O-] ZINC000530004394 394441264 /nfs/dbraw/zinc/44/12/64/394441264.db2.gz LDBCJXJRHANKEK-UHFFFAOYSA-N -1 1 289.310 2.698 20 0 CFADMM O=C(CCC1CCOCC1)Nc1cccc(F)c1[O-] ZINC000530004164 394441477 /nfs/dbraw/zinc/44/14/77/394441477.db2.gz CIUCPODQERCVIK-UHFFFAOYSA-N -1 1 267.300 2.677 20 0 CFADMM O=C(Nc1cccc(F)c1[O-])c1onc2c1CCCC2 ZINC000530006116 394441704 /nfs/dbraw/zinc/44/17/04/394441704.db2.gz PEOMPFIJRVKLBP-UHFFFAOYSA-N -1 1 276.267 2.650 20 0 CFADMM 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CCCc1cc(=O)[n-]c(S[C@H](C)CCC(=O)OCC)n1 ZINC000549628126 281819299 /nfs/dbraw/zinc/81/92/99/281819299.db2.gz HEMFYEJVQQWJPJ-SNVBAGLBSA-N -1 1 298.408 2.959 20 0 CFADMM CN(C(=O)c1cc(F)ccc1[O-])C(C1CC1)C1CC1 ZINC000271218495 281872976 /nfs/dbraw/zinc/87/29/76/281872976.db2.gz CFECXWPFWWVYSJ-UHFFFAOYSA-N -1 1 263.312 2.792 20 0 CFADMM Cc1ncc(NC(=O)c2ccc([O-])cc2F)c(C2CC2)n1 ZINC000555537141 281916197 /nfs/dbraw/zinc/91/61/97/281916197.db2.gz BVRMVTSIBDLGGB-UHFFFAOYSA-N -1 1 287.294 2.759 20 0 CFADMM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000558777600 281995432 /nfs/dbraw/zinc/99/54/32/281995432.db2.gz UYMNRPNUASXEOP-NSHDSACASA-N -1 1 297.401 2.605 20 0 CFADMM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1ncccc1[O-] ZINC000559653366 282008787 /nfs/dbraw/zinc/00/87/87/282008787.db2.gz BCDZVRIJDOZBDU-XYPYZODXSA-N -1 1 286.306 2.602 20 0 CFADMM CC(=O)c1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)s1 ZINC000560242719 282019570 /nfs/dbraw/zinc/01/95/70/282019570.db2.gz PDSZUHVMDUSZES-UHFFFAOYSA-N -1 1 288.303 2.993 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CFADMM Cc1ccccc1[C@@H](C(=O)[O-])N1CC[C@@H](OCC(C)C)C1 ZINC000565108164 290269611 /nfs/dbraw/zinc/26/96/11/290269611.db2.gz ZRNBSQHONWUPNO-ZBFHGGJFSA-N -1 1 291.391 2.868 20 0 CFADMM CCc1nc(S(=O)(=O)[C@@H](C)c2ccc(Cl)cc2)n[n-]1 ZINC000565237287 290286664 /nfs/dbraw/zinc/28/66/64/290286664.db2.gz IIRQDNAIFPWYKW-QMMMGPOBSA-N -1 1 299.783 2.555 20 0 CFADMM Cc1cnc(SCCCc2ccncc2)[n-]c1=O ZINC000565242445 290287915 /nfs/dbraw/zinc/28/79/15/290287915.db2.gz OVGNIXOUOORLPQ-UHFFFAOYSA-N -1 1 261.350 2.611 20 0 CFADMM C[C@@H]1Cc2ccccc2CN1Cc1occc1C(=O)[O-] ZINC000566074843 290345155 /nfs/dbraw/zinc/34/51/55/290345155.db2.gz RSDDLGSVBNIOML-LLVKDONJSA-N -1 1 271.316 2.925 20 0 CFADMM Cc1csc(Cc2n[n-]c(=NC(C)(C)C)n2C(C)C)n1 ZINC000566620330 290405362 /nfs/dbraw/zinc/40/53/62/290405362.db2.gz ZCMROTPRUZQFFV-UHFFFAOYSA-N -1 1 293.440 2.847 20 0 CFADMM O=C(c1ncccc1[O-])N1CCc2ccc(Cl)cc2C1 ZINC000124467695 304610833 /nfs/dbraw/zinc/61/08/33/304610833.db2.gz JNOJOCNFLUJJRO-UHFFFAOYSA-N -1 1 288.734 2.639 20 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CC(C)c1ccc(NC(=O)[C@@H]2CCCN2C)c(C(=O)[O-])c1 ZINC000736513510 574057542 /nfs/dbraw/zinc/05/75/42/574057542.db2.gz FTBKMTOGRZTNBA-AWEZNQCLSA-N -1 1 290.363 2.541 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2CC(F)(F)C2)c1 ZINC000754122082 574075530 /nfs/dbraw/zinc/07/55/30/574075530.db2.gz OWJBQKATPTUCOQ-UHFFFAOYSA-N -1 1 298.285 2.726 20 0 CFADMM CC[C@H](C(=O)Oc1cc(C(=O)[O-])ccc1C)N(CC)CC ZINC000736859496 574082087 /nfs/dbraw/zinc/08/20/87/574082087.db2.gz AUAUIOFIIBKKPC-CYBMUJFWSA-N -1 1 293.363 2.719 20 0 CFADMM CCCN(CC(=O)Nc1cc(C(=O)[O-])ccc1C)C1CC1 ZINC000737007210 574096378 /nfs/dbraw/zinc/09/63/78/574096378.db2.gz CNRPCWZJMWUMDP-UHFFFAOYSA-N -1 1 290.363 2.506 20 0 CFADMM CCCN1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000737030177 574098892 /nfs/dbraw/zinc/09/88/92/574098892.db2.gz KYKDDWUKXFPLAN-CQSZACIVSA-N -1 1 290.363 2.506 20 0 CFADMM CC(C)c1noc(COC(=O)c2c([O-])cc(F)cc2F)n1 ZINC000745522316 574114742 /nfs/dbraw/zinc/11/47/42/574114742.db2.gz FAGQHNQFRRYZAC-UHFFFAOYSA-N -1 1 298.245 2.534 20 0 CFADMM Cc1ccccc1CNCc1ccc(-c2nn[nH]n2)cc1F ZINC000737428189 574139833 /nfs/dbraw/zinc/13/98/33/574139833.db2.gz MQMKOPWRWOQAMI-UHFFFAOYSA-N -1 1 297.337 2.604 20 0 CFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)CC(C)(C)C ZINC000738525339 574171929 /nfs/dbraw/zinc/17/19/29/574171929.db2.gz KKPLLJYPKMIUTI-UHFFFAOYSA-N -1 1 292.379 2.610 20 0 CFADMM Cc1ccccc1[C@@H](O)CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000738758357 574183584 /nfs/dbraw/zinc/18/35/84/574183584.db2.gz NFXOJTJPIRPIRM-KRWDZBQOSA-N -1 1 297.354 2.742 20 0 CFADMM CC(C)COc1ccccc1CN1CC[C@H](NC(=O)[O-])C1 ZINC000738834608 574187078 /nfs/dbraw/zinc/18/70/78/574187078.db2.gz OZXGXOPEPKPWQS-AWEZNQCLSA-N -1 1 292.379 2.563 20 0 CFADMM Cc1ccc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)cc1 ZINC000747227450 574188402 /nfs/dbraw/zinc/18/84/02/574188402.db2.gz FRWSJENGCSDPFH-UHFFFAOYSA-N -1 1 280.349 2.609 20 0 CFADMM Cc1ccc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)cc1 ZINC000747227450 574188404 /nfs/dbraw/zinc/18/84/04/574188404.db2.gz FRWSJENGCSDPFH-UHFFFAOYSA-N -1 1 280.349 2.609 20 0 CFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H](C)C(C)(C)C ZINC000747394989 574193567 /nfs/dbraw/zinc/19/35/67/574193567.db2.gz CTIALWSEOCJPKO-MRVPVSSYSA-N -1 1 297.424 2.625 20 0 CFADMM C[C@@H](c1cc(F)ccc1F)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739054191 574194983 /nfs/dbraw/zinc/19/49/83/574194983.db2.gz QDQYCJUXXAJGAT-UWVGGRQHSA-N -1 1 284.306 2.615 20 0 CFADMM C[C@@H](c1cccc(F)c1)N1CCCN(C(=O)[O-])CC1 ZINC000739060248 574195954 /nfs/dbraw/zinc/19/59/54/574195954.db2.gz WXIZQPBGNCPXHO-NSHDSACASA-N -1 1 266.316 2.572 20 0 CFADMM C[C@H](c1ccccc1F)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739060401 574196002 /nfs/dbraw/zinc/19/60/02/574196002.db2.gz NNNNTBAAHKNEBC-VXGBXAGGSA-N -1 1 280.343 2.961 20 0 CFADMM C[C@H]1C[C@H]1c1ccc(CNC(C)(C)CNC(=O)[O-])o1 ZINC000739089363 574197717 /nfs/dbraw/zinc/19/77/17/574197717.db2.gz KEEOHNOVPGPQIO-GXSJLCMTSA-N -1 1 266.341 2.539 20 0 CFADMM O=C([O-])[C@@H](NCc1cccnc1Cl)c1ccccc1 ZINC000739504660 574215735 /nfs/dbraw/zinc/21/57/35/574215735.db2.gz LMVLNGNDSZJAPB-LBPRGKRZSA-N -1 1 276.723 2.651 20 0 CFADMM Cc1cccnc1CNC(=O)c1c([O-])cccc1Cl ZINC000729540264 574223025 /nfs/dbraw/zinc/22/30/25/574223025.db2.gz ADBNKXWKRZZNBW-UHFFFAOYSA-N -1 1 276.723 2.679 20 0 CFADMM O=C([O-])NCCSc1nc2ccc(Cl)cc2[nH]1 ZINC000740669360 574261025 /nfs/dbraw/zinc/26/10/25/574261025.db2.gz XIJRNQAIWPTUIH-UHFFFAOYSA-N -1 1 271.729 2.576 20 0 CFADMM C[C@H]1C[C@@H]1c1ccc(C[N-]C(=O)C(F)(F)C(F)F)o1 ZINC000749354860 574290946 /nfs/dbraw/zinc/29/09/46/574290946.db2.gz ZZMKFOVGNNXSON-XPUUQOCRSA-N -1 1 279.233 2.920 20 0 CFADMM CC(C)(C)c1cccc(Oc2nccnc2-c2nn[n-]n2)c1 ZINC000735652889 574332162 /nfs/dbraw/zinc/33/21/62/574332162.db2.gz WYKHQTLUEFYVCO-UHFFFAOYSA-N -1 1 296.334 2.747 20 0 CFADMM CC(C)(C)c1ccc(Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000735649878 574332462 /nfs/dbraw/zinc/33/24/62/574332462.db2.gz LKOLFIKYSPLDGR-UHFFFAOYSA-N -1 1 295.350 2.698 20 0 CFADMM CC(C)(C)c1ccc(Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000735649878 574332465 /nfs/dbraw/zinc/33/24/65/574332465.db2.gz LKOLFIKYSPLDGR-UHFFFAOYSA-N -1 1 295.350 2.698 20 0 CFADMM CC(C)[C@@H](C)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000735701765 574333471 /nfs/dbraw/zinc/33/34/71/574333471.db2.gz LXUATXXSQFURMT-JTQLQIEISA-N -1 1 297.366 2.514 20 0 CFADMM CC(C)[C@@H](C)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000735701765 574333472 /nfs/dbraw/zinc/33/34/72/574333472.db2.gz LXUATXXSQFURMT-JTQLQIEISA-N -1 1 297.366 2.514 20 0 CFADMM C[C@@H](CCC(C)(C)C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000735985164 574345422 /nfs/dbraw/zinc/34/54/22/574345422.db2.gz JMYYXXFEMJXHCJ-JTQLQIEISA-N -1 1 274.372 2.888 20 0 CFADMM C[C@@H](CCC(C)(C)C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000735985164 574345423 /nfs/dbraw/zinc/34/54/23/574345423.db2.gz JMYYXXFEMJXHCJ-JTQLQIEISA-N -1 1 274.372 2.888 20 0 CFADMM CC(C)c1ccc(OCC[N-]C(=O)C(F)(F)F)cc1 ZINC000750669560 574350744 /nfs/dbraw/zinc/35/07/44/574350744.db2.gz BOQAFZCMHMVESS-UHFFFAOYSA-N -1 1 275.270 2.867 20 0 CFADMM CC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCCC1 ZINC000736215839 574355955 /nfs/dbraw/zinc/35/59/55/574355955.db2.gz BWPYHWMTTHYGTK-UHFFFAOYSA-N -1 1 292.774 2.907 20 0 CFADMM CC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCCC1 ZINC000736215839 574355958 /nfs/dbraw/zinc/35/59/58/574355958.db2.gz BWPYHWMTTHYGTK-UHFFFAOYSA-N -1 1 292.774 2.907 20 0 CFADMM C/C=C(\C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000750897416 574360112 /nfs/dbraw/zinc/36/01/12/574360112.db2.gz PKPRVLRYVGUMLH-YCRREMRBSA-N -1 1 274.272 2.508 20 0 CFADMM CC[C@H](Cc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000736353727 574364238 /nfs/dbraw/zinc/36/42/38/574364238.db2.gz XARRAUVBZSIECR-CYBMUJFWSA-N -1 1 294.362 2.695 20 0 CFADMM CC[C@H](Cc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000736353727 574364240 /nfs/dbraw/zinc/36/42/40/574364240.db2.gz XARRAUVBZSIECR-CYBMUJFWSA-N -1 1 294.362 2.695 20 0 CFADMM CC(C)[C@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)N(C)C ZINC000736350331 574364435 /nfs/dbraw/zinc/36/44/35/574364435.db2.gz XYZSQJUENJMFCH-GFCCVEGCSA-N -1 1 298.770 2.563 20 0 CFADMM CC(C)[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)N(C)C ZINC000736350332 574364600 /nfs/dbraw/zinc/36/46/00/574364600.db2.gz XYZSQJUENJMFCH-LBPRGKRZSA-N -1 1 298.770 2.563 20 0 CFADMM Cc1cccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1F ZINC000398492678 574366280 /nfs/dbraw/zinc/36/62/80/574366280.db2.gz WPGPJSDGEGQTQC-SNVBAGLBSA-N -1 1 293.310 2.600 20 0 CFADMM COC(C)(C)C[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000743698305 574371058 /nfs/dbraw/zinc/37/10/58/574371058.db2.gz OFSPGONRWSPMHG-VIFPVBQESA-N -1 1 285.771 2.979 20 0 CFADMM CCC1(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC000752746143 574394473 /nfs/dbraw/zinc/39/44/73/574394473.db2.gz CTRTZAAAMZFLTD-UHFFFAOYSA-N -1 1 277.368 2.534 20 0 CFADMM C[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)[C@@H]1C ZINC000752820724 574395696 /nfs/dbraw/zinc/39/56/96/574395696.db2.gz OQNLXBUVLZKSMH-RKDXNWHRSA-N -1 1 253.729 2.916 20 0 CFADMM CCC[C@@]1(C)CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000821028722 599110562 /nfs/dbraw/zinc/11/05/62/599110562.db2.gz YJKXFRBJPYNQKB-HNNXBMFYSA-N -1 1 286.383 2.668 20 0 CFADMM CCC[C@@]1(C)CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000821028722 599110563 /nfs/dbraw/zinc/11/05/63/599110563.db2.gz YJKXFRBJPYNQKB-HNNXBMFYSA-N -1 1 286.383 2.668 20 0 CFADMM CCN(C(=O)c1cnc(C2CC2)[n-]c1=O)C1CCCCC1 ZINC000900117837 620638508 /nfs/dbraw/zinc/63/85/08/620638508.db2.gz KIRNPQOHGIIVCZ-UHFFFAOYSA-N -1 1 289.379 2.854 20 0 CFADMM O=C([O-])c1ccc(COc2ccccc2-c2nnc[nH]2)cc1 ZINC000821545552 597390031 /nfs/dbraw/zinc/39/00/31/597390031.db2.gz FJMUGVWBLQORON-UHFFFAOYSA-N -1 1 295.298 2.749 20 0 CFADMM Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1F ZINC000822254328 607308466 /nfs/dbraw/zinc/30/84/66/607308466.db2.gz HCDHQQLLPKUITI-UHFFFAOYSA-N -1 1 273.271 2.519 20 0 CFADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1F ZINC000822254328 607308467 /nfs/dbraw/zinc/30/84/67/607308467.db2.gz HCDHQQLLPKUITI-UHFFFAOYSA-N -1 1 273.271 2.519 20 0 CFADMM COCC[C@H](NCc1cccc(C(=O)[O-])c1)c1ccco1 ZINC000263383579 597603233 /nfs/dbraw/zinc/60/32/33/597603233.db2.gz CJFWEVQQRYVTFX-AWEZNQCLSA-N -1 1 289.331 2.845 20 0 CFADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(F)cn1 ZINC000820149094 598192140 /nfs/dbraw/zinc/19/21/40/598192140.db2.gz VVRJSGRMKFBRBI-SNVBAGLBSA-N -1 1 274.295 2.770 20 0 CFADMM N#Cc1ccc2nc(-c3cccc(C(=O)[O-])c3)[nH]c2c1 ZINC000033559131 598200723 /nfs/dbraw/zinc/20/07/23/598200723.db2.gz QDJRZMKRLGCIGS-UHFFFAOYSA-N -1 1 263.256 2.800 20 0 CFADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccccn1 ZINC000235518103 598203183 /nfs/dbraw/zinc/20/31/83/598203183.db2.gz SDBNZKWAASFDLP-NSHDSACASA-N -1 1 256.305 2.631 20 0 CFADMM CC[C@@H]1CCCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000095263980 599405813 /nfs/dbraw/zinc/40/58/13/599405813.db2.gz NILLJKBHAXXKDS-MNOVXSKESA-N -1 1 272.356 2.642 20 0 CFADMM CC[C@@H]1CCCC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000095263980 599405814 /nfs/dbraw/zinc/40/58/14/599405814.db2.gz NILLJKBHAXXKDS-MNOVXSKESA-N -1 1 272.356 2.642 20 0 CFADMM CC(C)(C)C[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000819907513 599505783 /nfs/dbraw/zinc/50/57/83/599505783.db2.gz PIYHJMPDRSIUJE-LLVKDONJSA-N -1 1 286.383 2.667 20 0 CFADMM CC(C)(C)C[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000819907513 599505785 /nfs/dbraw/zinc/50/57/85/599505785.db2.gz PIYHJMPDRSIUJE-LLVKDONJSA-N -1 1 286.383 2.667 20 0 CFADMM CCCC[C@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)[O-] ZINC000713471906 599709398 /nfs/dbraw/zinc/70/93/98/599709398.db2.gz OGSIJEFJXGHEEC-QMMMGPOBSA-N -1 1 271.386 2.838 20 0 CFADMM C[C@H](CN(C)[C@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000251129451 600374002 /nfs/dbraw/zinc/37/40/02/600374002.db2.gz TWLVKPPPLSPKDO-RKDXNWHRSA-N -1 1 257.280 2.678 20 0 CFADMM O=C([O-])[C@H]1CCCN1Cc1cnc(-c2ccccc2)s1 ZINC000262191824 600439026 /nfs/dbraw/zinc/43/90/26/600439026.db2.gz YTQCEPVRNZGZEA-CYBMUJFWSA-N -1 1 288.372 2.859 20 0 CFADMM Cc1cc(C)cc(CNCc2ccc(C(=O)[O-])o2)c1 ZINC000693188247 600523625 /nfs/dbraw/zinc/52/36/25/600523625.db2.gz PQRUMRDWJMNFKS-UHFFFAOYSA-N -1 1 259.305 2.884 20 0 CFADMM CCCC[C@@H](Sc1nc(-c2cccnc2)n[nH]1)C(=O)[O-] ZINC000829296516 600837160 /nfs/dbraw/zinc/83/71/60/600837160.db2.gz UOAMSTFSHRQJQU-SNVBAGLBSA-N -1 1 292.364 2.602 20 0 CFADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H]1c1cnn(C)c1 ZINC000386933684 600997921 /nfs/dbraw/zinc/99/79/21/600997921.db2.gz KQXRIJXKOZYALE-CMPLNLGQSA-N -1 1 289.335 2.609 20 0 CFADMM CC[C@H]1C[C@H](C)CN1Cn1nc(C(=O)[O-])c(Cl)c1C ZINC000829074372 601054778 /nfs/dbraw/zinc/05/47/78/601054778.db2.gz DDIDSODFWQYSJZ-WPRPVWTQSA-N -1 1 285.775 2.621 20 0 CFADMM Cc1cc(CN(C)Cc2ccc(O)cc2)oc1C(=O)[O-] ZINC000832881972 601133171 /nfs/dbraw/zinc/13/31/71/601133171.db2.gz RXZHIPSUGHUWRV-UHFFFAOYSA-N -1 1 275.304 2.624 20 0 CFADMM O=C([O-])c1occc1CN1CC[C@H]1c1ccccc1 ZINC000833345537 601170444 /nfs/dbraw/zinc/17/04/44/601170444.db2.gz CZSRCBCUTDBREU-ZDUSSCGKSA-N -1 1 257.289 2.925 20 0 CFADMM CC[C@](C)(NC/C=C(\C)C(=O)[O-])c1nc(C)cs1 ZINC000828692357 601179221 /nfs/dbraw/zinc/17/92/21/601179221.db2.gz IKOTZJNFKPCXOU-PPGNKHEKSA-N -1 1 268.382 2.697 20 0 CFADMM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc(Cl)c2O)C1 ZINC000833184920 601210873 /nfs/dbraw/zinc/21/08/73/601210873.db2.gz DQYBGMZKZJRWLO-RKDXNWHRSA-N -1 1 297.738 2.875 20 0 CFADMM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc(Cl)c2O)C1 ZINC000833184918 601210924 /nfs/dbraw/zinc/21/09/24/601210924.db2.gz DQYBGMZKZJRWLO-IUCAKERBSA-N -1 1 297.738 2.875 20 0 CFADMM CC(C)[C@H]1C[C@H](C(=O)Nc2nc(Cl)ccc2[O-])CCO1 ZINC000935597460 649920945 /nfs/dbraw/zinc/92/09/45/649920945.db2.gz FHQPKMKOYHDKBQ-MWLCHTKSSA-N -1 1 298.770 2.830 20 0 CFADMM Cn1c2ccccc2nc1[C@H]1CCCCN1CCC(=O)[O-] ZINC000821269396 601380698 /nfs/dbraw/zinc/38/06/98/601380698.db2.gz VBAQJWHAFMSPKR-CQSZACIVSA-N -1 1 287.363 2.575 20 0 CFADMM CO[C@H](CN[C@H](C(=O)[O-])c1cccs1)C1CCCC1 ZINC000901597455 620870412 /nfs/dbraw/zinc/87/04/12/620870412.db2.gz HZFVKQRXHRFABD-YPMHNXCESA-N -1 1 283.393 2.669 20 0 CFADMM CC[C@](C)(CC(=O)[O-])NCc1ncc(C(C)(C)C)o1 ZINC000828671948 601556256 /nfs/dbraw/zinc/55/62/56/601556256.db2.gz IWMHHFRLXWMQNA-CQSZACIVSA-N -1 1 268.357 2.705 20 0 CFADMM CC(C)c1cnc(CN(CCC(=O)[O-])CC2CC2)s1 ZINC000901614961 620873437 /nfs/dbraw/zinc/87/34/37/620873437.db2.gz QTFKLGUTIMPTAH-UHFFFAOYSA-N -1 1 282.409 2.953 20 0 CFADMM CN(Cc1ccc(C(=O)[O-])s1)Cc1cccc(O)c1 ZINC000830851912 601958146 /nfs/dbraw/zinc/95/81/46/601958146.db2.gz ILBNMIQDOBUBQN-UHFFFAOYSA-N -1 1 277.345 2.784 20 0 CFADMM CCN(Cc1ccc(C(=O)[O-])s1)Cc1ccccn1 ZINC000094919635 601962743 /nfs/dbraw/zinc/96/27/43/601962743.db2.gz DYOCGIXWVXDSDX-UHFFFAOYSA-N -1 1 276.361 2.863 20 0 CFADMM CCc1cnc(CN[C@]2(CNC(=O)[O-])CCCC[C@H]2C)o1 ZINC000827616844 603561457 /nfs/dbraw/zinc/56/14/57/603561457.db2.gz XTORMJNFAYJATC-ABAIWWIYSA-N -1 1 295.383 2.543 20 0 CFADMM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccccc1NC(=O)[O-] ZINC000825871203 603744082 /nfs/dbraw/zinc/74/40/82/603744082.db2.gz COVITOZRYBEERQ-GHMZBOCLSA-N -1 1 291.351 2.588 20 0 CFADMM Cc1ccc(CNCc2cccc3c2N(C(=O)[O-])CC3)cn1 ZINC000830324979 603852746 /nfs/dbraw/zinc/85/27/46/603852746.db2.gz WCZYJYNOQVBUEL-UHFFFAOYSA-N -1 1 297.358 2.720 20 0 CFADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccncc2Cl)C1 ZINC000825273670 604210526 /nfs/dbraw/zinc/21/05/26/604210526.db2.gz QDURFIDZTPVLSA-QWRGUYRKSA-N -1 1 297.786 2.603 20 0 CFADMM C[C@@H]1[C@@H](C)CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824946067 608184988 /nfs/dbraw/zinc/18/49/88/608184988.db2.gz HDXDZORDFVVLIH-NKWVEPMBSA-N -1 1 298.803 2.601 20 0 CFADMM C[C@@H]1[C@@H](C)CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824946067 608184990 /nfs/dbraw/zinc/18/49/90/608184990.db2.gz HDXDZORDFVVLIH-NKWVEPMBSA-N -1 1 298.803 2.601 20 0 CFADMM C[C@H](NCc1ccc(C(=O)[O-])o1)c1ccsc1 ZINC000071396297 604331724 /nfs/dbraw/zinc/33/17/24/604331724.db2.gz XUJKFLBBTMITQT-QMMMGPOBSA-N -1 1 251.307 2.890 20 0 CFADMM Cc1ccnc(NC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830611027 604348030 /nfs/dbraw/zinc/34/80/30/604348030.db2.gz DGYXTBLDJYKPEN-ZDUSSCGKSA-N -1 1 271.320 2.811 20 0 CFADMM CC(C)c1csc([C@@H]2CCCN(CCNC(=O)[O-])C2)n1 ZINC000824481788 604366844 /nfs/dbraw/zinc/36/68/44/604366844.db2.gz CPVNQMDUVYPRER-LLVKDONJSA-N -1 1 297.424 2.714 20 0 CFADMM C[C@@H]1CC[C@H](C)N(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824908572 608187134 /nfs/dbraw/zinc/18/71/34/608187134.db2.gz PPRPKCRDRAQKJU-RQJHMYQMSA-N -1 1 298.803 2.601 20 0 CFADMM C[C@@H]1CC[C@H](C)N(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824908572 608187136 /nfs/dbraw/zinc/18/71/36/608187136.db2.gz PPRPKCRDRAQKJU-RQJHMYQMSA-N -1 1 298.803 2.601 20 0 CFADMM CC(C)[C@@](C)(CNC(=O)[O-])NC/C(Cl)=C\Cl ZINC000824064628 604420278 /nfs/dbraw/zinc/42/02/78/604420278.db2.gz NHHVTSRQMCBKOC-VMKBVTSJSA-N -1 1 269.172 2.577 20 0 CFADMM Cc1nc(CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)sc1C ZINC000830746863 604425668 /nfs/dbraw/zinc/42/56/68/604425668.db2.gz UODWVOIGJHELQZ-PWSUYJOCSA-N -1 1 297.424 2.628 20 0 CFADMM CCCn1c2ccccc2nc1CN(C)C[C@H](C)C(=O)[O-] ZINC000833652455 604584448 /nfs/dbraw/zinc/58/44/48/604584448.db2.gz IUIUTXUZYQCWMP-LBPRGKRZSA-N -1 1 289.379 2.599 20 0 CFADMM C[C@@H]1CN(Cc2cc(Cl)ccc2F)C[C@H]1C(=O)[O-] ZINC000235345278 604666695 /nfs/dbraw/zinc/66/66/95/604666695.db2.gz QFQNRIQSVFZFPE-LDYMZIIASA-N -1 1 271.719 2.632 20 0 CFADMM Cc1cnc(CNC2(C(=O)[O-])CCCCCC2)s1 ZINC000833754196 604920356 /nfs/dbraw/zinc/92/03/56/604920356.db2.gz QOAPUBIAFDBMRL-UHFFFAOYSA-N -1 1 268.382 2.719 20 0 CFADMM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](C(F)(F)F)C1 ZINC000833678419 604930181 /nfs/dbraw/zinc/93/01/81/604930181.db2.gz MEBQGYIXYZWYLH-SECBINFHSA-N -1 1 291.269 2.924 20 0 CFADMM C[C@@]1(NCc2ncc(C3CC3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833570922 605071684 /nfs/dbraw/zinc/07/16/84/605071684.db2.gz VSMCIBZUSGZUID-IAQYHMDHSA-N -1 1 278.352 2.675 20 0 CFADMM CC[C@@H]1CC[C@H](C)N1c1snc(Cl)c1-c1nnn[n-]1 ZINC000825191932 608237596 /nfs/dbraw/zinc/23/75/96/608237596.db2.gz DNWMKNPEMHAISS-NKWVEPMBSA-N -1 1 298.803 2.744 20 0 CFADMM CC[C@@H]1CC[C@H](C)N1c1snc(Cl)c1-c1nn[n-]n1 ZINC000825191932 608237599 /nfs/dbraw/zinc/23/75/99/608237599.db2.gz DNWMKNPEMHAISS-NKWVEPMBSA-N -1 1 298.803 2.744 20 0 CFADMM O=C([O-])N1CCN(Cc2ccccn2)C2(CCCCC2)C1 ZINC000832037085 605478061 /nfs/dbraw/zinc/47/80/61/605478061.db2.gz PZUJRZCZFBFPNY-UHFFFAOYSA-N -1 1 289.379 2.580 20 0 CFADMM Cc1nc([C@@H](C)N[C@@H]2CCCCN(C(=O)[O-])C2)cs1 ZINC000830709948 605480460 /nfs/dbraw/zinc/48/04/60/605480460.db2.gz XBWSCMLBBJJPHC-MWLCHTKSSA-N -1 1 283.397 2.635 20 0 CFADMM C[C@H](Oc1ccc(CN2CC[C@H](C)[C@@H](F)C2)cc1)C(=O)[O-] ZINC000833541489 605491586 /nfs/dbraw/zinc/49/15/86/605491586.db2.gz NCTJUHDIOSRHPB-HUBLWGQQSA-N -1 1 295.354 2.718 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(Cl)o2)C1 ZINC000833811990 605595406 /nfs/dbraw/zinc/59/54/06/605595406.db2.gz GJKKJKRSAOHIDV-NXEZZACHSA-N -1 1 286.759 2.801 20 0 CFADMM CCc1ncc(CN2CCC[C@H](C)[C@H]2CNC(=O)[O-])s1 ZINC000833865652 605605724 /nfs/dbraw/zinc/60/57/24/605605724.db2.gz BBXGHXIOPJICDQ-CMPLNLGQSA-N -1 1 297.424 2.574 20 0 CFADMM O=C([O-])Nc1cccc(CN2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000834269100 605788171 /nfs/dbraw/zinc/78/81/71/605788171.db2.gz OTZNMSXJRHDDNE-LSDHHAIUSA-N -1 1 290.363 2.920 20 0 CFADMM O=C([O-])N[C@H]1C[C@H](NCc2ccoc2)c2ccccc21 ZINC000834157759 605794352 /nfs/dbraw/zinc/79/43/52/605794352.db2.gz JVRFNNWDXCJVTI-KBPBESRZSA-N -1 1 272.304 2.823 20 0 CFADMM Cc1cncc(CN[C@H]2C[C@@H](NC(=O)[O-])c3ccccc32)c1 ZINC000833913121 605806837 /nfs/dbraw/zinc/80/68/37/605806837.db2.gz YNAGWSNJMJAOPV-JKSUJKDBSA-N -1 1 297.358 2.933 20 0 CFADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](OC(F)F)C1 ZINC000833547124 605856085 /nfs/dbraw/zinc/85/60/85/605856085.db2.gz QBRINUFTTUNBKF-IUCAKERBSA-N -1 1 289.278 2.742 20 0 CFADMM Clc1nsc(NCCC2CCC2)c1-c1nnn[n-]1 ZINC000822591095 606728058 /nfs/dbraw/zinc/72/80/58/606728058.db2.gz QOLISUFRRVCTEM-UHFFFAOYSA-N -1 1 284.776 2.579 20 0 CFADMM Clc1nsc(NCCC2CCC2)c1-c1nn[n-]n1 ZINC000822591095 606728060 /nfs/dbraw/zinc/72/80/60/606728060.db2.gz QOLISUFRRVCTEM-UHFFFAOYSA-N -1 1 284.776 2.579 20 0 CFADMM CCC[C@H](C)[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000821016626 607129392 /nfs/dbraw/zinc/12/93/92/607129392.db2.gz YCRZLHVSADBNIC-AAEUAGOBSA-N -1 1 286.383 2.667 20 0 CFADMM CCC[C@H](C)[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000821016626 607129393 /nfs/dbraw/zinc/12/93/93/607129393.db2.gz YCRZLHVSADBNIC-AAEUAGOBSA-N -1 1 286.383 2.667 20 0 CFADMM CCC[C@H](C)[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000821016630 607129416 /nfs/dbraw/zinc/12/94/16/607129416.db2.gz YCRZLHVSADBNIC-WCQYABFASA-N -1 1 286.383 2.667 20 0 CFADMM CCC[C@H](C)[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000821016630 607129417 /nfs/dbraw/zinc/12/94/17/607129417.db2.gz YCRZLHVSADBNIC-WCQYABFASA-N -1 1 286.383 2.667 20 0 CFADMM CCC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825034721 607929417 /nfs/dbraw/zinc/92/94/17/607929417.db2.gz NZJUOUCKHVUFKV-UHFFFAOYSA-N -1 1 279.369 2.574 20 0 CFADMM CCC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825034721 607929418 /nfs/dbraw/zinc/92/94/18/607929418.db2.gz NZJUOUCKHVUFKV-UHFFFAOYSA-N -1 1 279.369 2.574 20 0 CFADMM C[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)[C@@H]1C ZINC000824946069 608185971 /nfs/dbraw/zinc/18/59/71/608185971.db2.gz HDXDZORDFVVLIH-RNFRBKRXSA-N -1 1 298.803 2.601 20 0 CFADMM C[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)[C@@H]1C ZINC000824946069 608185973 /nfs/dbraw/zinc/18/59/73/608185973.db2.gz HDXDZORDFVVLIH-RNFRBKRXSA-N -1 1 298.803 2.601 20 0 CFADMM Cc1cc(C)cc(CSc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826264500 608430242 /nfs/dbraw/zinc/43/02/42/608430242.db2.gz QOLGSALQEGMSKZ-UHFFFAOYSA-N -1 1 298.375 2.566 20 0 CFADMM Cc1cc(C)cc(CSc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826264500 608430244 /nfs/dbraw/zinc/43/02/44/608430244.db2.gz QOLGSALQEGMSKZ-UHFFFAOYSA-N -1 1 298.375 2.566 20 0 CFADMM C[C@H]1C[C@H](C)N(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000900795825 620715304 /nfs/dbraw/zinc/71/53/04/620715304.db2.gz HSOADXWSZRKSDT-UWVGGRQHSA-N -1 1 288.322 2.950 20 0 CFADMM CCC(CC)(CC)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900830134 620718803 /nfs/dbraw/zinc/71/88/03/620718803.db2.gz NBYJDDYTSSTHLL-UHFFFAOYSA-N -1 1 277.368 2.758 20 0 CFADMM Cc1ccc(CC(=O)[N-]OCCOc2ccccc2)s1 ZINC000889448075 617987886 /nfs/dbraw/zinc/98/78/86/617987886.db2.gz ORJZOARQRDPJNA-UHFFFAOYSA-N -1 1 291.372 2.726 20 0 CFADMM C[C@H]1c2ccccc2CN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900923040 620727908 /nfs/dbraw/zinc/72/79/08/620727908.db2.gz RJKLMIYXGQKJIP-JTQLQIEISA-N -1 1 295.342 2.777 20 0 CFADMM CCCC1(CNC(=O)c2cnc(C3CC3)[n-]c2=O)CCC1 ZINC000901029510 620744111 /nfs/dbraw/zinc/74/41/11/620744111.db2.gz DJFIZBGQAFLTBG-UHFFFAOYSA-N -1 1 289.379 2.760 20 0 CFADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1CC12CCCC2 ZINC000891621068 617689003 /nfs/dbraw/zinc/68/90/03/617689003.db2.gz DZZDRBUSRSTQHC-NSHDSACASA-N -1 1 287.363 2.580 20 0 CFADMM Cc1ccccc1CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891626548 617690136 /nfs/dbraw/zinc/69/01/36/617690136.db2.gz CDPUAHCPGMETIN-UHFFFAOYSA-N -1 1 297.358 2.551 20 0 CFADMM CC1(C)CCCC[C@@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901025848 620743837 /nfs/dbraw/zinc/74/38/37/620743837.db2.gz LPJJRRFVOAMVKS-LBPRGKRZSA-N -1 1 289.379 2.758 20 0 CFADMM C[C@@H](O)c1cc(NC(=O)c2ccc([O-])cc2F)ccc1F ZINC000804797964 617886997 /nfs/dbraw/zinc/88/69/97/617886997.db2.gz OJZJZIAACUKMQA-MRVPVSSYSA-N -1 1 293.269 2.976 20 0 CFADMM Oc1cc(Br)cnc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000892144313 617970619 /nfs/dbraw/zinc/97/06/19/617970619.db2.gz MUSMLRBOONGYEG-SNVBAGLBSA-N -1 1 297.196 2.782 20 0 CFADMM COc1cnc([C@H]2CCC[N@@H+]2CCCC2CCC2)[nH]c1=O ZINC000934269386 617981316 /nfs/dbraw/zinc/98/13/16/617981316.db2.gz HABNETRHGDIWTO-CYBMUJFWSA-N -1 1 291.395 2.908 20 0 CFADMM COc1cnc([C@H]2CCC[N@@H+]2CCC=C(C)C)[nH]c1=O ZINC000934268915 617981335 /nfs/dbraw/zinc/98/13/35/617981335.db2.gz CAMKJGWSSWDVTC-GFCCVEGCSA-N -1 1 277.368 2.684 20 0 CFADMM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1ccc(F)cn1 ZINC000255831661 618326262 /nfs/dbraw/zinc/32/62/62/618326262.db2.gz KOYOJRUXFIVIEB-FPLPWBNLSA-N -1 1 296.298 2.772 20 0 CFADMM Cc1cscc1CNCc1cc(C(=O)[O-])oc1C ZINC000235816061 618442979 /nfs/dbraw/zinc/44/29/79/618442979.db2.gz SMBIQQJMSLFZGR-UHFFFAOYSA-N -1 1 265.334 2.946 20 0 CFADMM [O-]c1cccc(CN2c3ccccc3C[C@H]2CO)c1Cl ZINC000895243341 618494472 /nfs/dbraw/zinc/49/44/72/618494472.db2.gz SBKFWLRZKATPON-ZDUSSCGKSA-N -1 1 289.762 2.969 20 0 CFADMM CC[C@@H](C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895430651 618578539 /nfs/dbraw/zinc/57/85/39/618578539.db2.gz FPWINBGPSXPCKU-SECBINFHSA-N -1 1 259.305 2.779 20 0 CFADMM O=C([O-])c1cc(CN2CCSC3(CCCCC3)C2)on1 ZINC000901435512 620819772 /nfs/dbraw/zinc/81/97/72/620819772.db2.gz BTUFGOFQVWHGAM-UHFFFAOYSA-N -1 1 296.392 2.625 20 0 CFADMM CCS[C@@H]1CCCC[C@H]1Nc1cc(=O)[n-]c(COC)n1 ZINC000892847506 618756467 /nfs/dbraw/zinc/75/64/67/618756467.db2.gz OKFFBVXBCXSVML-GHMZBOCLSA-N -1 1 297.424 2.805 20 0 CFADMM CC(C)n1ccc(C[NH2+]Cc2ccc(O)c(F)c2)n1 ZINC000893009938 618801444 /nfs/dbraw/zinc/80/14/44/618801444.db2.gz VQDJRSRHTPXCBO-UHFFFAOYSA-N -1 1 263.316 2.599 20 0 CFADMM Cc1cc(Br)c([O-])c(NC(=O)C(F)F)c1 ZINC000194842396 618942391 /nfs/dbraw/zinc/94/23/91/618942391.db2.gz OBJGODRZFXJTBU-UHFFFAOYSA-N -1 1 280.068 2.667 20 0 CFADMM CCC(=O)[C@@H]1CCCN1C(=O)c1c([O-])cccc1Cl ZINC000909353638 618992500 /nfs/dbraw/zinc/99/25/00/618992500.db2.gz OLHDTWHGQQAOOJ-JTQLQIEISA-N -1 1 281.739 2.629 20 0 CFADMM COCc1nc(N2C[C@@H](C)C[C@H]2c2ccccc2)cc(=O)[n-]1 ZINC000893844722 619228136 /nfs/dbraw/zinc/22/81/36/619228136.db2.gz IRXKIVXIQHHIQN-JSGCOSHPSA-N -1 1 299.374 2.916 20 0 CFADMM C[C@H](CC(=O)[N-]OCc1ccccn1)c1cccc(F)c1 ZINC000909530656 619648634 /nfs/dbraw/zinc/64/86/34/619648634.db2.gz DFTTVCFWCRUTOW-GFCCVEGCSA-N -1 1 288.322 2.962 20 0 CFADMM CO[C@@](C)([C@H](C)NC(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000840510943 619655721 /nfs/dbraw/zinc/65/57/21/619655721.db2.gz QVVAMRHHUVFPHX-VFZGTOFNSA-N -1 1 297.782 2.979 20 0 CFADMM CO[C@]1(c2nc(-c3ccc([O-])cc3F)no2)CCSC1 ZINC000896219795 619696318 /nfs/dbraw/zinc/69/63/18/619696318.db2.gz ZQIPNDCQFNKSFH-CYBMUJFWSA-N -1 1 296.323 2.560 20 0 CFADMM C[C@H]1CN(C(=O)c2ccc3ccc(O)cc3c2[O-])C[C@@H]1C ZINC000896758471 619802758 /nfs/dbraw/zinc/80/27/58/619802758.db2.gz QGRYYGHXBWGIAD-QWRGUYRKSA-N -1 1 285.343 2.979 20 0 CFADMM CC[C@H](C)[C@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)OC ZINC000314767910 619978325 /nfs/dbraw/zinc/97/83/25/619978325.db2.gz IAEDBNMSEYLSSK-GUBZILKMSA-N -1 1 286.397 2.553 20 0 CFADMM C[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])C1CCC1 ZINC000837576147 631073653 /nfs/dbraw/zinc/07/36/53/631073653.db2.gz NTJBMMUDKSMXGM-SSDOTTSWSA-N -1 1 254.717 2.815 20 0 CFADMM CC(C)(CN[C@H](CCc1ccccc1)C(F)F)C(=O)[O-] ZINC000840996923 620109820 /nfs/dbraw/zinc/10/98/20/620109820.db2.gz PBKHXSQERCADSF-GFCCVEGCSA-N -1 1 285.334 2.953 20 0 CFADMM C[C@@H]([N-]C(=O)C(F)(F)c1nccs1)c1ccns1 ZINC000863612009 620188554 /nfs/dbraw/zinc/18/85/54/620188554.db2.gz CPVZZOLSRLDPFY-ZCFIWIBFSA-N -1 1 289.332 2.569 20 0 CFADMM CS[C@@H]1CC[C@@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000080031890 620221175 /nfs/dbraw/zinc/22/11/75/620221175.db2.gz LYSCIJSDDOQTGM-NXEZZACHSA-N -1 1 269.341 2.545 20 0 CFADMM CS[C@@H]1CC[C@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000080031882 620221462 /nfs/dbraw/zinc/22/14/62/620221462.db2.gz LYSCIJSDDOQTGM-VHSXEESVSA-N -1 1 269.341 2.545 20 0 CFADMM CC12CC(C1)CN2C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000899020566 620515294 /nfs/dbraw/zinc/51/52/94/620515294.db2.gz HOXGKPGRJKAZCU-UHFFFAOYSA-N -1 1 283.327 2.876 20 0 CFADMM CCON(CC)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000899188508 620530058 /nfs/dbraw/zinc/53/00/58/620530058.db2.gz OATXEJHCGAOWJD-UHFFFAOYSA-N -1 1 275.304 2.665 20 0 CFADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC[C@@H](CF)C1 ZINC000899207128 620531369 /nfs/dbraw/zinc/53/13/69/620531369.db2.gz VPLLWNSUFIAXTR-JTQLQIEISA-N -1 1 289.306 2.683 20 0 CFADMM CCc1c(=O)n(-c2ccnn2C)[n-]c1-c1cccc(C)c1 ZINC000899364547 620551292 /nfs/dbraw/zinc/55/12/92/620551292.db2.gz ZMEJISPQYJZCQI-CYBMUJFWSA-N -1 1 282.347 2.506 20 0 CFADMM C[C@@H]1C[C@@H](n2[n-]c3c(c2=O)CCCCC3)C[C@H](C)O1 ZINC000899359586 620552046 /nfs/dbraw/zinc/55/20/46/620552046.db2.gz CJMDENMZYZNNAP-YVECIDJPSA-N -1 1 264.369 2.721 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3ccc(F)c(F)c3)c(=O)c21 ZINC000899360743 620552415 /nfs/dbraw/zinc/55/24/15/620552415.db2.gz OVYBBQNTXNOHFO-KRTXAFLBSA-N -1 1 250.248 2.714 20 0 CFADMM O=C(NC[C@H]1CC2(CCC2)CO1)c1c([O-])cccc1Cl ZINC000899427537 620568007 /nfs/dbraw/zinc/56/80/07/620568007.db2.gz MQJJIGZWLCLRIV-SNVBAGLBSA-N -1 1 295.766 2.735 20 0 CFADMM Cc1ccc(CN(C)C(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000899951188 620616734 /nfs/dbraw/zinc/61/67/34/620616734.db2.gz CJOIAKLSCRCEGR-UHFFFAOYSA-N -1 1 297.358 2.640 20 0 CFADMM C[C@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1 ZINC000899970424 620618827 /nfs/dbraw/zinc/61/88/27/620618827.db2.gz TWGZGYGEXONWFP-LLVKDONJSA-N -1 1 297.358 2.593 20 0 CFADMM Cc1cc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)cs1 ZINC000900071939 620631697 /nfs/dbraw/zinc/63/16/97/620631697.db2.gz VBMCQTBMBASCIF-NSHDSACASA-N -1 1 291.376 2.576 20 0 CFADMM C[C@H](N[C@H](CCc1ccccc1)C(F)F)[C@H](C)C(=O)[O-] ZINC000901449865 620824480 /nfs/dbraw/zinc/82/44/80/620824480.db2.gz CKBPIFZIUYFYFV-GMXVVIOVSA-N -1 1 285.334 2.952 20 0 CFADMM O=C([O-])[C@]1(F)CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000901515335 620853037 /nfs/dbraw/zinc/85/30/37/620853037.db2.gz ASTNITHTRDONHP-HNNXBMFYSA-N -1 1 263.312 2.563 20 0 CFADMM O=C([O-])[C@@]1(F)CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000901515104 620853054 /nfs/dbraw/zinc/85/30/54/620853054.db2.gz LEALKHRKQSGJKO-CYBMUJFWSA-N -1 1 273.254 2.623 20 0 CFADMM O=C([O-])[C@@]1(F)CCN(Cc2ccc(C(F)F)cc2)C1 ZINC000901515104 620853055 /nfs/dbraw/zinc/85/30/55/620853055.db2.gz LEALKHRKQSGJKO-CYBMUJFWSA-N -1 1 273.254 2.623 20 0 CFADMM CCc1cccc2cc(CN3CC[C@@](F)(C(=O)[O-])C3)oc21 ZINC000901516079 620853582 /nfs/dbraw/zinc/85/35/82/620853582.db2.gz CKBAGEZELAKDHF-INIZCTEOSA-N -1 1 291.322 2.994 20 0 CFADMM C[C@H]1CN(Cc2cccc(C(=O)[O-])n2)Cc2ccccc21 ZINC000901550262 620861790 /nfs/dbraw/zinc/86/17/90/620861790.db2.gz ASLUHPHQJOQVQH-LBPRGKRZSA-N -1 1 282.343 2.899 20 0 CFADMM CC[C@@H](C)[C@@H](CN(CC(=O)[O-])Cc1ccccc1)OC ZINC000901569630 620865939 /nfs/dbraw/zinc/86/59/39/620865939.db2.gz LPCTXYBLTMTYMH-UKRRQHHQSA-N -1 1 279.380 2.634 20 0 CFADMM Cc1cn[nH]c1CNc1cc(C(=O)[O-])ccc1OC(C)C ZINC000901607832 620872580 /nfs/dbraw/zinc/87/25/80/620872580.db2.gz WCGGVCKBXVZCMD-UHFFFAOYSA-N -1 1 289.335 2.816 20 0 CFADMM CC[C@H](C)[C@H](CN1Cc2ccc(C(=O)[O-])cc2C1)OC ZINC000901649206 620881082 /nfs/dbraw/zinc/88/10/82/620881082.db2.gz WGTHRJRXTKHLSX-NHYWBVRUSA-N -1 1 277.364 2.762 20 0 CFADMM CC[C@@H](C)[C@H](CN1Cc2ccc(C(=O)[O-])cc2C1)OC ZINC000901649204 620881251 /nfs/dbraw/zinc/88/12/51/620881251.db2.gz WGTHRJRXTKHLSX-ABAIWWIYSA-N -1 1 277.364 2.762 20 0 CFADMM COc1cc(CNCc2ccc(C(=O)[O-])o2)ccc1C ZINC000901665236 620886406 /nfs/dbraw/zinc/88/64/06/620886406.db2.gz ZITTXBSGSZPCAP-UHFFFAOYSA-N -1 1 275.304 2.585 20 0 CFADMM CC[C@H](C)C[C@@H](NCc1cc2cnccc2o1)C(=O)[O-] ZINC000901672751 620889691 /nfs/dbraw/zinc/88/96/91/620889691.db2.gz GEGXWAVOYYOTLW-GXFFZTMASA-N -1 1 276.336 2.807 20 0 CFADMM CC[C@H](C)C[C@@H](NCc1ccc(-c2cc[nH]n2)o1)C(=O)[O-] ZINC000901682118 620892922 /nfs/dbraw/zinc/89/29/22/620892922.db2.gz NKZIHCHJJYURBL-GXFFZTMASA-N -1 1 291.351 2.649 20 0 CFADMM O=C([O-])[C@]1(F)CN(C/C=C/c2ccccc2)CC12CCC2 ZINC000901916068 620935244 /nfs/dbraw/zinc/93/52/44/620935244.db2.gz SFIWPXCVYWBIJJ-IOMDMTNGSA-N -1 1 289.350 2.979 20 0 CFADMM C[C@](CCF)(NCc1cc2ccccc2o1)C(=O)[O-] ZINC000901916137 620935280 /nfs/dbraw/zinc/93/52/80/620935280.db2.gz SJACTMPGIAYXIO-CQSZACIVSA-N -1 1 265.284 2.725 20 0 CFADMM CC[C@](CNCc1ncc(C)o1)(C(=O)[O-])c1ccccc1 ZINC000901896528 620936332 /nfs/dbraw/zinc/93/63/32/620936332.db2.gz FSPYEXVBRLOIPD-MRXNPFEDSA-N -1 1 288.347 2.505 20 0 CFADMM Cc1cc(CN2CC3(CCC3)[C@](F)(C(=O)[O-])C2)cs1 ZINC000901909855 620938278 /nfs/dbraw/zinc/93/82/78/620938278.db2.gz DDFMKHFYUMRLDB-CQSZACIVSA-N -1 1 283.368 2.835 20 0 CFADMM COc1ccc(CN(CCC(=O)[O-])C2CC2)c(Cl)c1 ZINC000901971267 620948084 /nfs/dbraw/zinc/94/80/84/620948084.db2.gz HONNIYFMPAZGGP-UHFFFAOYSA-N -1 1 283.755 2.788 20 0 CFADMM CCOc1ccc(CNCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000902104719 620974586 /nfs/dbraw/zinc/97/45/86/620974586.db2.gz ODWKSWBYAIORHZ-UHFFFAOYSA-N -1 1 289.331 2.975 20 0 CFADMM Cc1noc(C)c1CNCc1ccc(C(=O)[O-])c(Cl)c1 ZINC000902181777 620990511 /nfs/dbraw/zinc/99/05/11/620990511.db2.gz IMSXWGDBABUGSH-UHFFFAOYSA-N -1 1 294.738 2.933 20 0 CFADMM O=C([O-])c1cccc(CN[C@@H]2CCCOc3ccccc32)n1 ZINC000902200425 620997030 /nfs/dbraw/zinc/99/70/30/620997030.db2.gz AXCSUBVPKQXARX-CQSZACIVSA-N -1 1 298.342 2.783 20 0 CFADMM Cc1ccccc1C1(NCc2cc(C(=O)[O-])no2)CCC1 ZINC000902309225 621028915 /nfs/dbraw/zinc/02/89/15/621028915.db2.gz JZYAXJRHULCPPU-UHFFFAOYSA-N -1 1 286.331 2.850 20 0 CFADMM Cc1cccc2c1CCC[C@H]2NCc1cc(C(=O)[O-])no1 ZINC000902463930 621097116 /nfs/dbraw/zinc/09/71/16/621097116.db2.gz DKLQZGNCTTZKER-CQSZACIVSA-N -1 1 286.331 2.848 20 0 CFADMM O=C([O-])c1cccc(CN2CC(Cc3ccsc3)C2)n1 ZINC000902463008 621097204 /nfs/dbraw/zinc/09/72/04/621097204.db2.gz JXRUWXVCXHZUPN-UHFFFAOYSA-N -1 1 288.372 2.516 20 0 CFADMM C[C@H]1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC000902570714 621127663 /nfs/dbraw/zinc/12/76/63/621127663.db2.gz QENSNORYAUPLFW-JTQLQIEISA-N -1 1 283.755 2.649 20 0 CFADMM CCCCC[C@@H](C)NC(=O)CO[N-]C(=O)CC(C)(C)C ZINC000842064050 621264787 /nfs/dbraw/zinc/26/47/87/621264787.db2.gz XEBLFTNGBGKJIL-GFCCVEGCSA-N -1 1 286.416 2.555 20 0 CFADMM Cc1ccc(F)c(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1F ZINC000903407911 621363431 /nfs/dbraw/zinc/36/34/31/621363431.db2.gz APFRIZJEPUHBQS-GHMZBOCLSA-N -1 1 283.318 2.816 20 0 CFADMM CC(C)Cc1ccccc1CN1CCOC[C@@H]1CC(=O)[O-] ZINC000903600073 621399088 /nfs/dbraw/zinc/39/90/88/621399088.db2.gz AXAQRTCVZWGMDJ-INIZCTEOSA-N -1 1 291.391 2.561 20 0 CFADMM CCC(F)(F)CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000903602336 621399681 /nfs/dbraw/zinc/39/96/81/621399681.db2.gz OZLJPHIYZIHDCL-SRVKXCTJSA-N -1 1 275.339 2.997 20 0 CFADMM CCC(F)(F)CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000903607042 621401503 /nfs/dbraw/zinc/40/15/03/621401503.db2.gz PZJNXTRBXOPSSF-DCAQKATOSA-N -1 1 261.312 2.607 20 0 CFADMM C[C@@H]1CCC[C@H](CCN2C[C@@H](F)C[C@H]2C(=O)[O-])C1 ZINC000903614846 621405642 /nfs/dbraw/zinc/40/56/42/621405642.db2.gz KEPPOGBYYGJJMV-NDBYEHHHSA-N -1 1 257.349 2.700 20 0 CFADMM O=S(=O)(Cc1ccccc1)[N-]c1ccc(C2CC2)cn1 ZINC000903661580 621413103 /nfs/dbraw/zinc/41/31/03/621413103.db2.gz RRHRIQRSXKWWPN-UHFFFAOYSA-N -1 1 288.372 2.901 20 0 CFADMM CC(C)n1nccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000903709594 621418524 /nfs/dbraw/zinc/41/85/24/621418524.db2.gz IWTUQGCCJGHYRC-AWEZNQCLSA-N -1 1 291.326 2.519 20 0 CFADMM O=C([O-])C1(CCN2CCO[C@@H](c3ccccc3)C2)CCC1 ZINC000903696366 621420555 /nfs/dbraw/zinc/42/05/55/621420555.db2.gz GUHDNWBDDBQTTB-OAHLLOKOSA-N -1 1 289.375 2.705 20 0 CFADMM CC(C)N(Cc1ccco1)Cc1cncc(C(=O)[O-])c1 ZINC000903886937 621464850 /nfs/dbraw/zinc/46/48/50/621464850.db2.gz KVKQFPGTYSYKSG-UHFFFAOYSA-N -1 1 274.320 2.783 20 0 CFADMM C[C@@H]1Cc2ccccc2CN1Cc1cncc(C(=O)[O-])c1 ZINC000903894035 621465157 /nfs/dbraw/zinc/46/51/57/621465157.db2.gz NDABOWRAOCHREH-GFCCVEGCSA-N -1 1 282.343 2.727 20 0 CFADMM Cc1cc(C)nc(C[N@H+](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000903900876 621467527 /nfs/dbraw/zinc/46/75/27/621467527.db2.gz USHKWXAGBAODBW-KRWDZBQOSA-N -1 1 298.386 2.826 20 0 CFADMM Cc1cc(C)nc(CN(C)[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000903900876 621467531 /nfs/dbraw/zinc/46/75/31/621467531.db2.gz USHKWXAGBAODBW-KRWDZBQOSA-N -1 1 298.386 2.826 20 0 CFADMM CC(C)(C)c1nc(CN2CCC[C@@](C)(C(=O)[O-])C2)co1 ZINC000903901489 621468057 /nfs/dbraw/zinc/46/80/57/621468057.db2.gz KGECLKIQALFLTC-OAHLLOKOSA-N -1 1 280.368 2.659 20 0 CFADMM CC(C)(C)c1nc(CN2CCC[C@](C)(C(=O)[O-])C2)co1 ZINC000903901488 621468277 /nfs/dbraw/zinc/46/82/77/621468277.db2.gz KGECLKIQALFLTC-HNNXBMFYSA-N -1 1 280.368 2.659 20 0 CFADMM CCc1ncc(CN(CC2CC2)[C@](C)(CC)C(=O)[O-])o1 ZINC000903907042 621469550 /nfs/dbraw/zinc/46/95/50/621469550.db2.gz HKQVWEPHFMYOFA-OAHLLOKOSA-N -1 1 280.368 2.702 20 0 CFADMM O=C([O-])c1ccc2c(c1)CN(CCC1SCCS1)C2 ZINC000903907342 621469978 /nfs/dbraw/zinc/46/99/78/621469978.db2.gz 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/nfs/dbraw/zinc/51/45/64/621514564.db2.gz ZCWUYPAKXOHWKP-CYBMUJFWSA-N -1 1 287.363 2.966 20 0 CFADMM CC[C@H](NCc1cccc(C)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904065176 621514637 /nfs/dbraw/zinc/51/46/37/621514637.db2.gz PHLSLFPLYXWEQC-LBPRGKRZSA-N -1 1 273.336 2.657 20 0 CFADMM CC[C@@H](NCc1cccc2c1CCC2)c1nc(C(=O)[O-])c[nH]1 ZINC000904064586 621514750 /nfs/dbraw/zinc/51/47/50/621514750.db2.gz LDPZTVXBCSXULN-CQSZACIVSA-N -1 1 299.374 2.838 20 0 CFADMM CN[C@@H](CC(C)C)c1nc(-c2csc(C(=O)[O-])c2)no1 ZINC000904078328 621517808 /nfs/dbraw/zinc/51/78/08/621517808.db2.gz YUPXBTRCDLARAL-VIFPVBQESA-N -1 1 295.364 2.803 20 0 CFADMM CN(CCOCC1CCC1)[C@H](C(=O)[O-])c1ccccc1 ZINC000905372249 621755731 /nfs/dbraw/zinc/75/57/31/621755731.db2.gz JCFJFEJOEQNYGZ-HNNXBMFYSA-N -1 1 277.364 2.561 20 0 CFADMM CN(CCOCC1CCC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905372250 621755776 /nfs/dbraw/zinc/75/57/76/621755776.db2.gz JCFJFEJOEQNYGZ-OAHLLOKOSA-N -1 1 277.364 2.561 20 0 CFADMM O=C([O-])c1ccc(CN[C@@H]2CCCOc3ccccc32)nc1 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Cc1cnc(SC[C@@H]2CCC3(CCC3)CO2)[n-]c1=O ZINC000917778343 624383779 /nfs/dbraw/zinc/38/37/79/624383779.db2.gz PXWSRCFUSHFJBW-NSHDSACASA-N -1 1 280.393 2.932 20 0 CFADMM C[C@@H](COCC1CCCCC1)[N-]C(=O)C(F)(F)F ZINC000921450371 624894303 /nfs/dbraw/zinc/89/43/03/624894303.db2.gz XOTCPQSTCFSHEC-VIFPVBQESA-N -1 1 267.291 2.650 20 0 CFADMM O=C(NCC[C@@H](O)C1CCCC1)c1c([O-])cccc1Cl ZINC000831382497 625005299 /nfs/dbraw/zinc/00/52/99/625005299.db2.gz KXROFKHNESMYMW-GFCCVEGCSA-N -1 1 297.782 2.717 20 0 CFADMM O=C(C[N-]C(=O)C(F)(F)C(F)F)CC1CCCCC1 ZINC000831630216 625077382 /nfs/dbraw/zinc/07/73/82/625077382.db2.gz QLVKOJLXQYXHCE-UHFFFAOYSA-N -1 1 283.265 2.543 20 0 CFADMM CCCCC[C@H](CC)C(=O)N[C@@H](CCC)c1nn[n-]n1 ZINC000181220554 625080641 /nfs/dbraw/zinc/08/06/41/625080641.db2.gz MMLLVDSCTWFGMN-RYUDHWBXSA-N -1 1 281.404 2.764 20 0 CFADMM Cc1cnc(C(=O)N[C@H]2CCSC3(CCC3)C2)c([O-])c1 ZINC000834735410 625819922 /nfs/dbraw/zinc/81/99/22/625819922.db2.gz RIUVPKNAVSVVIY-NSHDSACASA-N -1 1 292.404 2.644 20 0 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Nc1ccc2[nH]c(=S)n(-c3cc(F)c([O-])c(F)c3)c2c1 ZINC001213386777 775116212 /nfs/dbraw/zinc/11/62/12/775116212.db2.gz VALAWLBPFWEVSO-UHFFFAOYSA-N -1 1 293.298 2.880 20 0 CFADMM O=[P@]([O-])(O)CCO[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001224608139 775225622 /nfs/dbraw/zinc/22/56/22/775225622.db2.gz ZXJNNYOQUCVLEM-IJLUTSLNSA-N -1 1 262.286 2.540 20 0 CFADMM CCC[C@@H](OCC[P@](=O)([O-])O)C1CCCCC1 ZINC001224606743 775226658 /nfs/dbraw/zinc/22/66/58/775226658.db2.gz ROJAVDKDMJLMRO-GFCCVEGCSA-N -1 1 264.302 2.930 20 0 CFADMM Cc1cc(C(=O)[O-])ccc1Nc1cc(=O)[nH]c(Cl)n1 ZINC001211618822 775263747 /nfs/dbraw/zinc/26/37/47/775263747.db2.gz SWBWGOVHOYQUEZ-UHFFFAOYSA-N -1 1 279.683 2.586 20 0 CFADMM C[C@H]1CCC[C@H](C)C1OCCCC[P@](=O)([O-])O ZINC001225019299 775338123 /nfs/dbraw/zinc/33/81/23/775338123.db2.gz VNLHCQLWCYNMLJ-QWRGUYRKSA-N -1 1 264.302 2.786 20 0 CFADMM C[C@@H](OCCCC[P@](=O)([O-])O)c1cccnc1Cl ZINC001225021902 775338171 /nfs/dbraw/zinc/33/81/71/775338171.db2.gz KHHUQVYBGDAAIY-SECBINFHSA-N -1 1 293.687 2.771 20 0 CFADMM CCN(Cc1cccs1)Cc1cncc(C(=O)[O-])c1 ZINC000721622861 775447972 /nfs/dbraw/zinc/44/79/72/775447972.db2.gz WJGCJHDYOCROOH-UHFFFAOYSA-N -1 1 276.361 2.863 20 0 CFADMM O=c1cc[nH]c(OC(=C([O-])c2ccco2)c2ccco2)c1 ZINC001225605564 775521071 /nfs/dbraw/zinc/52/10/71/775521071.db2.gz WUZMRUMCYVWIDF-OAHLLOKOSA-N -1 1 285.255 2.976 20 0 CFADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H](C)c1cccnc1 ZINC001225677315 775553545 /nfs/dbraw/zinc/55/35/45/775553545.db2.gz NVRHOCSUXHRVCO-JTQLQIEISA-N -1 1 273.288 2.835 20 0 CFADMM CC(=O)c1c(O)cc([O-])cc1O[C@H](C)COC(C)(C)C ZINC001225677096 775554279 /nfs/dbraw/zinc/55/42/79/775554279.db2.gz NDHCFPRKFYHSOO-SECBINFHSA-N -1 1 282.336 2.883 20 0 CFADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001225679375 775555776 /nfs/dbraw/zinc/55/57/76/775555776.db2.gz OYPOVBZJCITTLX-OPQQBVKSSA-N -1 1 262.305 2.868 20 0 CFADMM Cc1cccc2c1CC[C@H]2Oc1cc(=O)[n-]c(=S)[nH]1 ZINC001225762026 775585363 /nfs/dbraw/zinc/58/53/63/775585363.db2.gz WOLXFYKBTHCNRE-LLVKDONJSA-N -1 1 274.345 2.846 20 0 CFADMM CCOC(=O)c1c[n-]c(=O)nc1OC1C[C@@H](C)C[C@H](C)C1 ZINC001225898820 775626215 /nfs/dbraw/zinc/62/62/15/775626215.db2.gz DWSLJWHYGYKAGB-UWVGGRQHSA-N -1 1 294.351 2.562 20 0 CFADMM CCOC(=O)c1c[n-]c(=O)nc1O[C@@H](CC)C[C@@H](C)CC ZINC001225899177 775627774 /nfs/dbraw/zinc/62/77/74/775627774.db2.gz JLWWNCVFDVHKLT-QWRGUYRKSA-N -1 1 296.367 2.953 20 0 CFADMM CCOC(=O)c1c[n-]c(=O)nc1O[C@H](C)CCCC(C)C ZINC001225900113 775627864 /nfs/dbraw/zinc/62/78/64/775627864.db2.gz ZTWPIVXUMGXKEI-LLVKDONJSA-N -1 1 296.367 2.953 20 0 CFADMM CCOC(=O)c1c[n-]c(=O)nc1O[C@@H](CC)C(C)(C)C ZINC001225899687 775628699 /nfs/dbraw/zinc/62/86/99/775628699.db2.gz QNJCSGLLTKUDKV-JTQLQIEISA-N -1 1 282.340 2.562 20 0 CFADMM CC[C@H](COc1cc(=O)[n-]c(-c2ccccc2)n1)OC ZINC001226184376 775728015 /nfs/dbraw/zinc/72/80/15/775728015.db2.gz DVNLZULOELJISF-GFCCVEGCSA-N -1 1 274.320 2.653 20 0 CFADMM CC(=O)c1c[n-]c(=O)nc1O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC001226238021 775748167 /nfs/dbraw/zinc/74/81/67/775748167.db2.gz OWMTZHKYLYNVIT-KANYHAFZSA-N -1 1 290.363 2.978 20 0 CFADMM CC[C@H]1CC[C@H](Oc2nc(=O)[n-]cc2C(C)=O)CC1 ZINC001226238639 775749319 /nfs/dbraw/zinc/74/93/19/775749319.db2.gz VCBHYVKBPDFSLJ-XYPYZODXSA-N -1 1 264.325 2.732 20 0 CFADMM COc1cccc([C@@H](C)Oc2[n-]c(=S)ncc2OC)c1 ZINC001226242916 775750813 /nfs/dbraw/zinc/75/08/13/775750813.db2.gz VTTWXDMYFVRBNV-SECBINFHSA-N -1 1 292.360 2.923 20 0 CFADMM COc1cnc(=S)[n-]c1OC[C@H](OC)c1ccccc1 ZINC001226242412 775751087 /nfs/dbraw/zinc/75/10/87/775751087.db2.gz NDDWVMYNVFZFGH-LBPRGKRZSA-N -1 1 292.360 2.540 20 0 CFADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H]3CCOC[C@H]3C)c12 ZINC001226489549 775844828 /nfs/dbraw/zinc/84/48/28/775844828.db2.gz KSPYRAJARJJIPO-PWSUYJOCSA-N -1 1 290.315 2.611 20 0 CFADMM COCC(=O)c1ccc([O-])cc1OC(C1CC1)C1CC1 ZINC001227168710 776121622 /nfs/dbraw/zinc/12/16/22/776121622.db2.gz LZIAGYWGMRLVSC-UHFFFAOYSA-N -1 1 276.332 2.789 20 0 CFADMM COCC(=O)c1ccc([O-])cc1O[C@@H](C)c1ccccn1 ZINC001227169368 776121823 /nfs/dbraw/zinc/12/18/23/776121823.db2.gz SFZVEYTUTXUCNU-NSHDSACASA-N -1 1 287.315 2.756 20 0 CFADMM COCC(=O)c1ccc([O-])cc1O[C@H](C)c1cccnc1 ZINC001227167922 776121872 /nfs/dbraw/zinc/12/18/72/776121872.db2.gz ADEDPJCBZCAJHE-LLVKDONJSA-N -1 1 287.315 2.756 20 0 CFADMM Cc1cccc2c1CC[C@H]2Oc1[n-]c(=O)nc2c1COC2 ZINC001227690283 776257087 /nfs/dbraw/zinc/25/70/87/776257087.db2.gz KOMBIBIOWVSAEE-CQSZACIVSA-N -1 1 284.315 2.587 20 0 CFADMM C[C@@H](Oc1[n-]c(=O)nc2c1COC2)c1cccc(F)c1F ZINC001227687000 776257505 /nfs/dbraw/zinc/25/75/05/776257505.db2.gz YEBYRTDOJOGAJC-SSDOTTSWSA-N -1 1 294.257 2.631 20 0 CFADMM O=c1nc2c(c(O[C@H](c3ccccc3)C3CC3)[n-]1)COC2 ZINC001227691440 776258984 /nfs/dbraw/zinc/25/89/84/776258984.db2.gz UTMDGNRBGDZZTF-CQSZACIVSA-N -1 1 284.315 2.743 20 0 CFADMM C[C@H]1OCc2c1nc(=O)[n-]c2O[C@H]1CCc2ccccc2C1 ZINC001227715059 776269035 /nfs/dbraw/zinc/26/90/35/776269035.db2.gz YGJRIHRCEUNWBB-MFKMUULPSA-N -1 1 298.342 2.710 20 0 CFADMM CSc1nc(O[C@@H](C)c2nccs2)cc(=O)[n-]1 ZINC001228095255 776395696 /nfs/dbraw/zinc/39/56/96/776395696.db2.gz QAZNHFQWCDHOBQ-LURJTMIESA-N -1 1 269.351 2.501 20 0 CFADMM O=S(=O)(c1ccc([O-])cc1)c1ccc(OC2CC2)cc1 ZINC001228171734 776415021 /nfs/dbraw/zinc/41/50/21/776415021.db2.gz NCJMSRHOTKULBJ-UHFFFAOYSA-N -1 1 290.340 2.766 20 0 CFADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CCO[C@H](C)C1 ZINC001228557532 776520115 /nfs/dbraw/zinc/52/01/15/776520115.db2.gz WVUKYWGMQLRELA-KOLCDFICSA-N -1 1 280.320 2.637 20 0 CFADMM Cc1cccc2c1[C@H](Oc1cnnc(=S)[n-]1)CC2 ZINC001228635676 776547790 /nfs/dbraw/zinc/54/77/90/776547790.db2.gz ARWQHYPYRDJXFJ-SNVBAGLBSA-N -1 1 259.334 2.535 20 0 CFADMM S=c1nncc(O[C@@H]2Cc3cccc4cccc2c34)[n-]1 ZINC001228638414 776548971 /nfs/dbraw/zinc/54/89/71/776548971.db2.gz FWEMICWZZSEKGQ-GFCCVEGCSA-N -1 1 281.340 2.990 20 0 CFADMM Cc1ccc2c(c1)CC[C@@H]2Oc1cnnc(=S)[n-]1 ZINC001228641144 776549260 /nfs/dbraw/zinc/54/92/60/776549260.db2.gz YGZAHKIYXVQPPP-NSHDSACASA-N -1 1 259.334 2.535 20 0 CFADMM Cc1ccc(OC(C)C)c(COc2cnnc(=S)[n-]2)c1 ZINC001228643219 776550696 /nfs/dbraw/zinc/55/06/96/776550696.db2.gz YWHGXHIFIFOWBY-UHFFFAOYSA-N -1 1 291.376 2.835 20 0 CFADMM CC(=O)[C@H](Oc1n[n-]c(-c2cccnc2)n1)c1ccccc1 ZINC001228697056 776572184 /nfs/dbraw/zinc/57/21/84/776572184.db2.gz GAMOTSFUIIKNPR-AWEZNQCLSA-N -1 1 294.314 2.576 20 0 CFADMM COc1cc2ccc(=O)oc2c(O[C@@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC001229215066 776754666 /nfs/dbraw/zinc/75/46/66/776754666.db2.gz JMCVLSFUKQRSBD-JGPRNRPPSA-N -1 1 288.299 2.685 20 0 CFADMM CN1CC(Oc2cc([O-])ccc2C(=O)Cc2ccccc2)C1 ZINC001229260863 776768665 /nfs/dbraw/zinc/76/86/65/776768665.db2.gz YMNRLHSIMOPDDC-UHFFFAOYSA-N -1 1 297.354 2.510 20 0 CFADMM CCN1CC(Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229411559 776797071 /nfs/dbraw/zinc/79/70/71/776797071.db2.gz SRZOYYIVYUTOBC-UHFFFAOYSA-N -1 1 262.136 2.782 20 0 CFADMM CCOC(=O)[C@@H](CC)Oc1cc([O-])ccc1C(=O)CC ZINC001229476388 776823185 /nfs/dbraw/zinc/82/31/85/776823185.db2.gz GYUDCLBXRHBIIH-CYBMUJFWSA-N -1 1 280.320 2.705 20 0 CFADMM O=c1cc[nH]cc1OC(=C([O-])c1ccco1)c1ccco1 ZINC001229509072 776834749 /nfs/dbraw/zinc/83/47/49/776834749.db2.gz KCGZUOJYRKXDGE-HNNXBMFYSA-N -1 1 285.255 2.564 20 0 CFADMM CC[C@H](C)C[C@H](CC)Oc1nc(C(=O)OC)c[n-]1 ZINC001230279220 776970052 /nfs/dbraw/zinc/97/00/52/776970052.db2.gz CZSDSLJLACVWSG-UWVGGRQHSA-N -1 1 254.330 2.790 20 0 CFADMM CCC[C@@H](C)[C@@H](CC)Oc1nc(C(=O)OC)c[n-]1 ZINC001230282741 776972094 /nfs/dbraw/zinc/97/20/94/776972094.db2.gz YMHWRTFIUQPGBL-MWLCHTKSSA-N -1 1 254.330 2.790 20 0 CFADMM COC(=O)c1c[n-]c(O[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)n1 ZINC001230288250 776972227 /nfs/dbraw/zinc/97/22/27/776972227.db2.gz ACAJMKLOUIKQBK-MWGHHZFTSA-N -1 1 278.352 2.646 20 0 CFADMM O=C1CCC(Oc2cccnc2-c2ncccc2[O-])CC1 ZINC001231201483 777171407 /nfs/dbraw/zinc/17/14/07/777171407.db2.gz LFXRSQNFYRRQHC-UHFFFAOYSA-N -1 1 284.315 2.740 20 0 CFADMM COc1cccc([C@H](C)Oc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001225766078 777263946 /nfs/dbraw/zinc/26/39/46/777263946.db2.gz RQPUKCVXQHLZCM-QMMMGPOBSA-N -1 1 278.333 2.620 20 0 CFADMM COc1ccc([C@H](C)Oc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001225765629 777264269 /nfs/dbraw/zinc/26/42/69/777264269.db2.gz OKZCVHQBNPSMQI-QMMMGPOBSA-N -1 1 278.333 2.620 20 0 CFADMM C[C@H]1CN(Cc2ccc(Cl)c([O-])c2)C[C@H](C)O1 ZINC001231732769 777313332 /nfs/dbraw/zinc/31/33/32/777313332.db2.gz FKVDBLFTJKZCCA-UWVGGRQHSA-N -1 1 255.745 2.655 20 0 CFADMM COC(=O)[C@H](C(C)C)N(C)Cc1ccc(Cl)c([O-])c1 ZINC001231734674 777317762 /nfs/dbraw/zinc/31/77/62/777317762.db2.gz DCNONAYHBJVDDX-ZDUSSCGKSA-N -1 1 285.771 2.675 20 0 CFADMM CC(=O)c1c[n-]c(=O)nc1O[C@@H]1CCC[C@H](C)[C@H]1C ZINC001226236377 777485002 /nfs/dbraw/zinc/48/50/02/777485002.db2.gz BNMBZKQELHQHJA-YGOYTEALSA-N -1 1 264.325 2.588 20 0 CFADMM O=C1CCCN(Cc2cccc([O-])c2Cl)C[C@H]1F ZINC001232784888 777668217 /nfs/dbraw/zinc/66/82/17/777668217.db2.gz XXNHQWLEWKEIGL-SNVBAGLBSA-N -1 1 271.719 2.549 20 0 CFADMM C[C@@]1(F)CCN(Cc2ccc(F)c([O-])c2F)C[C@@H]1F ZINC001232932425 777724016 /nfs/dbraw/zinc/72/40/16/777724016.db2.gz YLYQANJUEQRHLR-GXFFZTMASA-N -1 1 277.261 2.942 20 0 CFADMM CC1(C)CN(Cc2ccc(F)c([O-])c2F)CCCO1 ZINC001232935779 777727199 /nfs/dbraw/zinc/72/71/99/777727199.db2.gz XQNAICNIPQBQMJ-UHFFFAOYSA-N -1 1 271.307 2.671 20 0 CFADMM CC(C)[C@H]1CN(Cc2ccc(F)c([O-])c2F)CCO1 ZINC001232937719 777728789 /nfs/dbraw/zinc/72/87/89/777728789.db2.gz SAMHJLCZXNRKQX-GFCCVEGCSA-N -1 1 271.307 2.527 20 0 CFADMM [O-]c1cc(CN2CCC(F)(F)CC2)cc(F)c1F ZINC001232969339 777744980 /nfs/dbraw/zinc/74/49/80/777744980.db2.gz PTUPZRBTVCGUEE-UHFFFAOYSA-N -1 1 263.234 2.902 20 0 CFADMM CC(C)[C@H]1COCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232973260 777748683 /nfs/dbraw/zinc/74/86/83/777748683.db2.gz QZGMURPSVKHMGB-GFCCVEGCSA-N -1 1 271.307 2.527 20 0 CFADMM Cc1[nH]c(=O)nc(O[C@H](C)C2=CC=C[CH]2)c1Cl ZINC001227111168 777765447 /nfs/dbraw/zinc/76/54/47/777765447.db2.gz IOUZTLWLJNHQLM-MRVPVSSYSA-N -1 1 251.693 2.612 20 0 CFADMM [O-]c1cnc(Cl)cc1CN1Cc2ccccc2C1 ZINC001233033445 777769155 /nfs/dbraw/zinc/76/91/55/777769155.db2.gz OHJPQZKIWKRYBG-UHFFFAOYSA-N -1 1 260.724 2.956 20 0 CFADMM CCC[C@H](C)[C@H](Oc1c(=O)[n-]cnc1C(=O)OC)C(C)C ZINC001233759667 778066806 /nfs/dbraw/zinc/06/68/06/778066806.db2.gz KAWFBECAEAVMKK-CMPLNLGQSA-N -1 1 296.367 2.808 20 0 CFADMM COC(=O)c1cccc2[n-]c(O[C@@H](C)C(F)(F)F)nc21 ZINC001234039979 778148834 /nfs/dbraw/zinc/14/88/34/778148834.db2.gz UZLXXDHBWHIHNZ-LURJTMIESA-N -1 1 288.225 2.679 20 0 CFADMM COC(=O)c1cccc2nc(O[C@@H](C)C(F)(F)F)[n-]c21 ZINC001234039979 778148838 /nfs/dbraw/zinc/14/88/38/778148838.db2.gz UZLXXDHBWHIHNZ-LURJTMIESA-N -1 1 288.225 2.679 20 0 CFADMM COC(=O)c1cccc2[n-]c(O[C@@H](C)c3ccncc3)nc21 ZINC001234038858 778148950 /nfs/dbraw/zinc/14/89/50/778148950.db2.gz HKIPSOZHVZWKBO-JTQLQIEISA-N -1 1 297.314 2.885 20 0 CFADMM COC(=O)c1cccc2nc(O[C@@H](C)c3ccncc3)[n-]c21 ZINC001234038858 778148953 /nfs/dbraw/zinc/14/89/53/778148953.db2.gz HKIPSOZHVZWKBO-JTQLQIEISA-N -1 1 297.314 2.885 20 0 CFADMM COC(=O)c1cccc2[n-]c(O[C@@H]3C=CCCC3)nc21 ZINC001234042726 778151217 /nfs/dbraw/zinc/15/12/17/778151217.db2.gz BAOYMIHLULEBIR-SNVBAGLBSA-N -1 1 272.304 2.837 20 0 CFADMM COC(=O)c1cccc2nc(O[C@@H]3C=CCCC3)[n-]c21 ZINC001234042726 778151219 /nfs/dbraw/zinc/15/12/19/778151219.db2.gz BAOYMIHLULEBIR-SNVBAGLBSA-N -1 1 272.304 2.837 20 0 CFADMM CCCC[C@@H](Oc1c(C(N)=O)nc[n-]c1=O)[C@@H](C)CCC ZINC001234472397 778232214 /nfs/dbraw/zinc/23/22/14/778232214.db2.gz OYUVPDYFTIIUGK-WDEREUQCSA-N -1 1 295.383 2.655 20 0 CFADMM CCCCC[C@@H](C)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234556859 778252612 /nfs/dbraw/zinc/25/26/12/778252612.db2.gz DDNCUPDIULBHOY-SECBINFHSA-N -1 1 282.340 2.625 20 0 CFADMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@H](C)c1cccs1 ZINC001234603149 778262787 /nfs/dbraw/zinc/26/27/87/778262787.db2.gz VYNGANILYGKFEV-SSDOTTSWSA-N -1 1 297.307 2.914 20 0 CFADMM CCC[C@@H](Oc1[n-]c(=O)c(F)cc1C(=O)OC)C(C)C ZINC001234609124 778263795 /nfs/dbraw/zinc/26/37/95/778263795.db2.gz OMTYAZCBYHGYIK-LLVKDONJSA-N -1 1 285.315 2.916 20 0 CFADMM [O-]c1c(Cl)nccc1Nc1cnc(N2CCCC2)nc1 ZINC001211925815 778280253 /nfs/dbraw/zinc/28/02/53/778280253.db2.gz HLVRNOMFUCOYOU-UHFFFAOYSA-N -1 1 291.742 2.574 20 0 CFADMM Cc1cc(F)ncc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142545998 778406688 /nfs/dbraw/zinc/40/66/88/778406688.db2.gz OHOYQIIAIHESOC-UHFFFAOYSA-N -1 1 282.221 2.765 20 0 CFADMM O=C([O-])C=Cc1ccc(-c2cc3[nH]nnc3cc2F)cc1 ZINC001235459403 778498918 /nfs/dbraw/zinc/49/89/18/778498918.db2.gz QAARMALRDMUCRJ-ZZXKWVIFSA-N -1 1 283.262 2.862 20 0 CFADMM COC(=O)c1cc2ccc(-c3ccc(C(=O)[O-])cc3)[nH]c-2n1 ZINC001236056028 778671374 /nfs/dbraw/zinc/67/13/74/778671374.db2.gz WZCIWUOECFEIRD-UHFFFAOYSA-N -1 1 296.282 2.715 20 0 CFADMM Cc1ccc(F)c(-c2ncnc3ncccc32)c1[O-] ZINC001236388975 778798651 /nfs/dbraw/zinc/79/86/51/778798651.db2.gz CLVQJHUGQYHSKC-UHFFFAOYSA-N -1 1 255.252 2.845 20 0 CFADMM COc1nccc2c1ncnc2-c1c(F)ccc(C)c1[O-] ZINC001236392489 778800118 /nfs/dbraw/zinc/80/01/18/778800118.db2.gz OYPJXTIJVGHMQD-UHFFFAOYSA-N -1 1 285.278 2.854 20 0 CFADMM Cc1ccc(F)c(-c2ccc([S@](C)=O)cn2)c1[O-] ZINC001236413697 778807150 /nfs/dbraw/zinc/80/71/50/778807150.db2.gz DDIKQCMFFZNBFN-SFHVURJKSA-N -1 1 265.309 2.639 20 0 CFADMM CCCCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(F)c(O)c2)C1 ZINC001236714551 778918568 /nfs/dbraw/zinc/91/85/68/778918568.db2.gz UMNIQELMWQGWQS-ZDUSSCGKSA-N -1 1 295.354 2.697 20 0 CFADMM O=c1[nH]c(Cl)c(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)s1 ZINC001237158874 779031571 /nfs/dbraw/zinc/03/15/71/779031571.db2.gz PMSQKCUANDEMEC-RITPCOANSA-N -1 1 280.727 2.589 20 0 CFADMM C[C@H]1CCN1Cc1c(Br)ccc([O-])c1F ZINC001238305435 779291644 /nfs/dbraw/zinc/29/16/44/779291644.db2.gz NTADPPQYZPGSIL-ZETCQYMHSA-N -1 1 274.133 2.888 20 0 CFADMM O=C([O-])c1c(F)cc(-c2nccc3[nH]cnc32)cc1F ZINC001239333033 779522892 /nfs/dbraw/zinc/52/28/92/779522892.db2.gz WQGRLBFPBWQPOA-UHFFFAOYSA-N -1 1 275.214 2.601 20 0 CFADMM CN(C)Cc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)nc1 ZINC001239339763 779529272 /nfs/dbraw/zinc/52/92/72/779529272.db2.gz QFOKUHSJINBYJR-UHFFFAOYSA-N -1 1 292.285 2.787 20 0 CFADMM O=C([O-])c1c(F)cc(-c2cccc3cncn32)cc1F ZINC001239351785 779531438 /nfs/dbraw/zinc/53/14/38/779531438.db2.gz MOALOJHFPHXKBI-UHFFFAOYSA-N -1 1 274.226 2.978 20 0 CFADMM O=C([O-])c1c(F)cc(-c2cccc3[nH]nnc32)cc1F ZINC001239352253 779531935 /nfs/dbraw/zinc/53/19/35/779531935.db2.gz SAFIQHFPPVQJMN-UHFFFAOYSA-N -1 1 275.214 2.601 20 0 CFADMM Cc1cc(C)cc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001239525256 779606978 /nfs/dbraw/zinc/60/69/78/779606978.db2.gz NXVQZFPYNRQKDL-UHFFFAOYSA-N -1 1 251.293 2.546 20 0 CFADMM Cc1cc(C)cc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001239525256 779606983 /nfs/dbraw/zinc/60/69/83/779606983.db2.gz NXVQZFPYNRQKDL-UHFFFAOYSA-N -1 1 251.293 2.546 20 0 CFADMM Cc1cc(C)cc(-c2ccc([P@@](=O)([O-])O)cc2)c1 ZINC001239526293 779607679 /nfs/dbraw/zinc/60/76/79/779607679.db2.gz QLHRMAGXAPJQLP-UHFFFAOYSA-N -1 1 262.245 2.773 20 0 CFADMM Cc1cc(C)cc(-c2ccc([P@](=O)([O-])O)cc2)c1 ZINC001239526293 779607682 /nfs/dbraw/zinc/60/76/82/779607682.db2.gz QLHRMAGXAPJQLP-UHFFFAOYSA-N -1 1 262.245 2.773 20 0 CFADMM Nc1cc(Nc2ccnc(Cl)c2[O-])ccc1F ZINC001212334538 779617122 /nfs/dbraw/zinc/61/71/22/779617122.db2.gz IWQZEWFYXZESNY-UHFFFAOYSA-N -1 1 253.664 2.906 20 0 CFADMM Cc1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc1F ZINC001239824951 779802940 /nfs/dbraw/zinc/80/29/40/779802940.db2.gz PDBKUKUZBCOYBY-UHFFFAOYSA-N -1 1 269.275 2.614 20 0 CFADMM Fc1ccc2[nH]ccc2c1-c1ccc(-c2nnn[n-]2)nc1 ZINC001240213175 779997655 /nfs/dbraw/zinc/99/76/55/779997655.db2.gz GKGSMFMKYRMPAA-UHFFFAOYSA-N -1 1 280.266 2.549 20 0 CFADMM Fc1ccc2[nH]ccc2c1-c1ccc(-c2nn[n-]n2)nc1 ZINC001240213175 779997663 /nfs/dbraw/zinc/99/76/63/779997663.db2.gz GKGSMFMKYRMPAA-UHFFFAOYSA-N -1 1 280.266 2.549 20 0 CFADMM COC(=O)c1cc(Nc2cc(F)c([O-])c(Cl)c2)ccn1 ZINC001214480139 780316194 /nfs/dbraw/zinc/31/61/94/780316194.db2.gz MBDFRYPLQMNWOI-UHFFFAOYSA-N -1 1 296.685 2.532 20 0 CFADMM [O-]c1ccc(F)cc1-c1cncc(N2CCCC2)n1 ZINC001240694509 780363860 /nfs/dbraw/zinc/36/38/60/780363860.db2.gz WDMVTVIZPMMXGB-UHFFFAOYSA-N -1 1 259.284 2.589 20 0 CFADMM [O-]c1ccc(F)cc1-c1ccc(Cn2ccnc2)cn1 ZINC001240695208 780366259 /nfs/dbraw/zinc/36/62/59/780366259.db2.gz FJCAAHNYZZBPKO-UHFFFAOYSA-N -1 1 269.279 2.838 20 0 CFADMM NC(=O)c1cc(-c2cc(F)ccc2[O-])nc2ccccc21 ZINC001240695052 780366427 /nfs/dbraw/zinc/36/64/27/780366427.db2.gz ANGQEJVKGLCEBD-UHFFFAOYSA-N -1 1 282.274 2.845 20 0 CFADMM Cc1noc(-c2ccnc(-c3cc(F)ccc3[O-])c2)n1 ZINC001240695565 780366872 /nfs/dbraw/zinc/36/68/72/780366872.db2.gz MOILKBXDQRPAJW-UHFFFAOYSA-N -1 1 271.251 2.952 20 0 CFADMM COc1ccc(-c2noc(-c3ncccc3[O-])n2)c(OC)c1 ZINC001212480697 780395255 /nfs/dbraw/zinc/39/52/55/780395255.db2.gz CWBJCMNOIJPRMQ-UHFFFAOYSA-N -1 1 299.286 2.521 20 0 CFADMM COC(=O)c1cc(F)c(C)nc1-c1ccc([O-])c(F)c1 ZINC001240781628 780434721 /nfs/dbraw/zinc/43/47/21/780434721.db2.gz CMUGOYDZKDCUBF-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM O=c1c(-c2ccc([O-])c(F)c2)ccnn1Cc1ccccc1 ZINC001240790080 780445270 /nfs/dbraw/zinc/44/52/70/780445270.db2.gz JWZOZJWGQYRZCP-UHFFFAOYSA-N -1 1 296.301 2.803 20 0 CFADMM [O-]c1ccc(-c2cnc(OCc3cccnc3)cn2)cc1F ZINC001240791259 780446053 /nfs/dbraw/zinc/44/60/53/780446053.db2.gz WTFQJUCMNOOCCP-UHFFFAOYSA-N -1 1 297.289 2.962 20 0 CFADMM COC(=O)c1cc(-c2c(F)cc([O-])cc2F)ncc1F ZINC001241117634 780646141 /nfs/dbraw/zinc/64/61/41/780646141.db2.gz SUQVSXXCVQNHNL-UHFFFAOYSA-N -1 1 283.205 2.658 20 0 CFADMM Cc1nc2[nH]ccc2c(-c2c(F)cc([O-])cc2F)n1 ZINC001241117416 780646534 /nfs/dbraw/zinc/64/65/34/780646534.db2.gz NSPUJSQWIZDQMO-UHFFFAOYSA-N -1 1 261.231 2.869 20 0 CFADMM CC1(c2cccc(-c3c(F)cc([O-])cc3F)n2)OCCO1 ZINC001241120744 780649696 /nfs/dbraw/zinc/64/96/96/780649696.db2.gz JFBUBBUMITWKBP-UHFFFAOYSA-N -1 1 293.269 2.952 20 0 CFADMM Cc1c(-c2c(F)cc([O-])cc2F)ccc2ncnn21 ZINC001241122519 780651859 /nfs/dbraw/zinc/65/18/59/780651859.db2.gz RFRJDCXOAOPVRG-UHFFFAOYSA-N -1 1 261.231 2.689 20 0 CFADMM O=c1ccc(-c2c(F)cc([O-])cc2F)nn1CC1CCC1 ZINC001241124703 780651870 /nfs/dbraw/zinc/65/18/70/780651870.db2.gz KESATMSUXXEDQB-UHFFFAOYSA-N -1 1 292.285 2.694 20 0 CFADMM NC(=O)c1cc(-c2c(F)cc([O-])cc2F)cc2cc[nH]c21 ZINC001241125026 780652687 /nfs/dbraw/zinc/65/26/87/780652687.db2.gz PRMSEIOPSZTFBQ-UHFFFAOYSA-N -1 1 288.253 2.918 20 0 CFADMM NC(=O)c1nc2cc(-c3c(F)cc([O-])cc3F)ccc2o1 ZINC001241124588 780652706 /nfs/dbraw/zinc/65/27/06/780652706.db2.gz JINNIFCEYHZLNB-UHFFFAOYSA-N -1 1 290.225 2.578 20 0 CFADMM COc1cc(C)c(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc1C ZINC001241137884 780662358 /nfs/dbraw/zinc/66/23/58/780662358.db2.gz KAKNIUXPEXCJHH-UHFFFAOYSA-N -1 1 295.338 2.792 20 0 CFADMM O=C([O-])c1cc(-c2ccc3cncn3c2)ccc1F ZINC001241245668 780729585 /nfs/dbraw/zinc/72/95/85/780729585.db2.gz NYZCTSPQSUBIMP-UHFFFAOYSA-N -1 1 256.236 2.839 20 0 CFADMM CCOc1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c(C)c1 ZINC001241273599 780749095 /nfs/dbraw/zinc/74/90/95/780749095.db2.gz VIWUXARNXFSCJX-UHFFFAOYSA-N -1 1 295.338 2.873 20 0 CFADMM [O-]c1ccc(F)c(-c2ncc3cccnc3n2)c1F ZINC001241289124 780758524 /nfs/dbraw/zinc/75/85/24/780758524.db2.gz LQQVSUQCYDIHEA-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM COCc1cc(-c2c(F)ccc([O-])c2F)nc(C)n1 ZINC001241290695 780759502 /nfs/dbraw/zinc/75/95/02/780759502.db2.gz BIZYFEQZEJLUMM-UHFFFAOYSA-N -1 1 266.247 2.582 20 0 CFADMM [O-]c1ccc(F)c(-c2nnc3ccccc3n2)c1F ZINC001241289910 780759565 /nfs/dbraw/zinc/75/95/65/780759565.db2.gz FHZCGVZYURGPKS-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM COC(=O)c1cnc(-c2c(F)ccc([O-])c2F)cc1OC ZINC001241290118 780759716 /nfs/dbraw/zinc/75/97/16/780759716.db2.gz IDPWJZPKGIXTDB-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM CCCNC(=O)c1cccnc1-c1c(F)ccc([O-])c1F ZINC001241290406 780759759 /nfs/dbraw/zinc/75/97/59/780759759.db2.gz RPPCVLQISUOYHE-UHFFFAOYSA-N -1 1 292.285 2.872 20 0 CFADMM Cc1cnc2c(ccnc2-c2c(F)ccc([O-])c2F)n1 ZINC001241290370 780759891 /nfs/dbraw/zinc/75/98/91/780759891.db2.gz QXZRNZFUHNWQSY-UHFFFAOYSA-N -1 1 273.242 2.984 20 0 CFADMM Cc1nc(-c2c(F)ccc([O-])c2F)cc(N(C)C)n1 ZINC001241290416 780760196 /nfs/dbraw/zinc/76/01/96/780760196.db2.gz MJZRQMHOSKCENC-UHFFFAOYSA-N -1 1 265.263 2.502 20 0 CFADMM CCOc1cnc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241291649 780761320 /nfs/dbraw/zinc/76/13/20/780761320.db2.gz PCGDEKIVOCBGIM-UHFFFAOYSA-N -1 1 252.220 2.526 20 0 CFADMM Cc1ccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1C(=O)[O-] ZINC000701823288 780843883 /nfs/dbraw/zinc/84/38/83/780843883.db2.gz OFSQJLKHSGJDPH-GFCCVEGCSA-N -1 1 277.364 2.693 20 0 CFADMM Cc1ccc(CN2C[C@@H](C)OC(C)(C)C2)cc1C(=O)[O-] ZINC000701823288 780843891 /nfs/dbraw/zinc/84/38/91/780843891.db2.gz OFSQJLKHSGJDPH-GFCCVEGCSA-N -1 1 277.364 2.693 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3ncccc3F)cc2[n-]1 ZINC001241546799 780969344 /nfs/dbraw/zinc/96/93/44/780969344.db2.gz IYVNVHKAQFCDQU-UHFFFAOYSA-N -1 1 285.278 2.941 20 0 CFADMM CN(C)Cc1ccc(-c2cncc(C(=O)[O-])c2)cc1F ZINC001241802900 781134381 /nfs/dbraw/zinc/13/43/81/781134381.db2.gz SKHUOAKNPZBFAE-UHFFFAOYSA-N -1 1 274.295 2.648 20 0 CFADMM c1nc2cc(-c3ccc(-c4nnn[n-]4)nc3)ccc2s1 ZINC001241867997 781159467 /nfs/dbraw/zinc/15/94/67/781159467.db2.gz CXIVUAADZLDMFI-UHFFFAOYSA-N -1 1 280.316 2.538 20 0 CFADMM c1nc2cc(-c3ccc(-c4nn[n-]n4)nc3)ccc2s1 ZINC001241867997 781159471 /nfs/dbraw/zinc/15/94/71/781159471.db2.gz CXIVUAADZLDMFI-UHFFFAOYSA-N -1 1 280.316 2.538 20 0 CFADMM CC(C)(C)OC1CN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000706876383 781206934 /nfs/dbraw/zinc/20/69/34/781206934.db2.gz IVTLXZYBZXSASR-UHFFFAOYSA-N -1 1 283.755 2.685 20 0 CFADMM C[C@]1(C(F)(F)F)CCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000708929070 781285042 /nfs/dbraw/zinc/28/50/42/781285042.db2.gz SUTCLYYOKOFOGE-NSHDSACASA-N -1 1 277.242 2.752 20 0 CFADMM [O-]c1ccc(C(F)(F)F)cc1-c1cc2c(nn1)OCCO2 ZINC001242132255 781295390 /nfs/dbraw/zinc/29/53/90/781295390.db2.gz OXRQLVCZZJPVHN-UHFFFAOYSA-N -1 1 298.220 2.639 20 0 CFADMM O=C1Cc2cnc(-c3ccc([O-])c(C(F)(F)F)c3)cc2N1 ZINC001242153141 781304365 /nfs/dbraw/zinc/30/43/65/781304365.db2.gz RRBRFFFSCTXXPR-UHFFFAOYSA-N -1 1 294.232 2.968 20 0 CFADMM Cc1c(F)cc(C(=O)[O-])cc1-c1cc(N(C)C)ccn1 ZINC001242205847 781326046 /nfs/dbraw/zinc/32/60/46/781326046.db2.gz VDAYLMHTIXDPRN-UHFFFAOYSA-N -1 1 274.295 2.960 20 0 CFADMM Cc1c(F)cc(C(=O)[O-])cc1-c1ccc(CN(C)C)cn1 ZINC001242208436 781327543 /nfs/dbraw/zinc/32/75/43/781327543.db2.gz KUTFSTCDYWAERR-UHFFFAOYSA-N -1 1 288.322 2.956 20 0 CFADMM COC(=O)c1ncc(F)cc1-c1ccc(F)cc1[O-] ZINC001242218813 781333404 /nfs/dbraw/zinc/33/34/04/781333404.db2.gz AVIKONCEVBGWKS-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM COc1nc(-c2cccc(C)c2[O-])nc2c1ccn2C ZINC001242344753 781417073 /nfs/dbraw/zinc/41/70/73/781417073.db2.gz CSSILNHHMZVROK-UHFFFAOYSA-N -1 1 269.304 2.658 20 0 CFADMM CC[C@@H]1CN(Cc2cc(C(=O)[O-])cs2)[C@@H](CC)CO1 ZINC000711392075 781420470 /nfs/dbraw/zinc/42/04/70/781420470.db2.gz GWESHFKHAOAJST-NWDGAFQWSA-N -1 1 283.393 2.836 20 0 CFADMM O=c1c(-c2cccc(F)c2[O-])cccn1CC(F)(F)F ZINC001242352233 781425242 /nfs/dbraw/zinc/42/52/42/781425242.db2.gz CIBDZORKIYIPTD-UHFFFAOYSA-N -1 1 287.212 2.922 20 0 CFADMM CN(C)C(=O)c1cncc(-c2cccc(Cl)c2[O-])c1 ZINC001242366065 781438921 /nfs/dbraw/zinc/43/89/21/781438921.db2.gz FTSCTULLNNIKAD-UHFFFAOYSA-N -1 1 276.723 2.809 20 0 CFADMM Cn1c(=O)cnc2ccc(-c3cccc(Cl)c3[O-])cc21 ZINC001242366438 781439274 /nfs/dbraw/zinc/43/92/74/781439274.db2.gz MNJRLWQQOKCEPX-UHFFFAOYSA-N -1 1 286.718 2.960 20 0 CFADMM [O-]c1c(Cl)cccc1-c1ccc(-c2nn[nH]n2)cc1 ZINC001242366077 781439562 /nfs/dbraw/zinc/43/95/62/781439562.db2.gz FZQGRQSKQGWUQX-UHFFFAOYSA-N -1 1 272.695 2.893 20 0 CFADMM COC(=O)Cc1ccncc1-c1cccc(Cl)c1[O-] ZINC001242368216 781440580 /nfs/dbraw/zinc/44/05/80/781440580.db2.gz YWKYNHFHOPJTBG-UHFFFAOYSA-N -1 1 277.707 2.823 20 0 CFADMM CN(C)Cc1ccc(-c2cccc(C(=O)[O-])c2F)nc1 ZINC001242377534 781445255 /nfs/dbraw/zinc/44/52/55/781445255.db2.gz ZTGRWHYXHQZMRU-UHFFFAOYSA-N -1 1 274.295 2.648 20 0 CFADMM CCOC(=O)c1nc2cc(-c3cnc(C)c(N)c3)ccc2[n-]1 ZINC001242412571 781476820 /nfs/dbraw/zinc/47/68/20/781476820.db2.gz GYUSWGXLERUQQK-UHFFFAOYSA-N -1 1 296.330 2.692 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3cnc(C)c(N)c3)cc2[n-]1 ZINC001242412571 781476822 /nfs/dbraw/zinc/47/68/22/781476822.db2.gz GYUSWGXLERUQQK-UHFFFAOYSA-N -1 1 296.330 2.692 20 0 CFADMM COC(=O)c1nc2cc(-c3ccnc(C(C)=O)c3)ccc2[n-]1 ZINC001242610229 781637751 /nfs/dbraw/zinc/63/77/51/781637751.db2.gz CEMMTVHGGAJPAG-UHFFFAOYSA-N -1 1 295.298 2.614 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccnc(C(C)=O)c3)cc2[n-]1 ZINC001242610229 781637756 /nfs/dbraw/zinc/63/77/56/781637756.db2.gz CEMMTVHGGAJPAG-UHFFFAOYSA-N -1 1 295.298 2.614 20 0 CFADMM [O-]c1cccc(-c2ncc3c(n2)CCCN3)c1Cl ZINC001242797593 781763942 /nfs/dbraw/zinc/76/39/42/781763942.db2.gz KPVQCFIJYFEMER-UHFFFAOYSA-N -1 1 261.712 2.861 20 0 CFADMM CN(C)C(=O)c1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242797796 781764454 /nfs/dbraw/zinc/76/44/54/781764454.db2.gz MMXOKDIJTPUCEJ-UHFFFAOYSA-N -1 1 276.723 2.809 20 0 CFADMM CS(=O)(=O)c1cccnc1-c1cccc([O-])c1Cl ZINC001242797923 781764611 /nfs/dbraw/zinc/76/46/11/781764611.db2.gz PBEINSZULWDDLO-UHFFFAOYSA-N -1 1 283.736 2.511 20 0 CFADMM CS(=O)(=O)c1ccc(-c2cccc([O-])c2Cl)cn1 ZINC001242800369 781765680 /nfs/dbraw/zinc/76/56/80/781765680.db2.gz NHGGIRVVLGZRSV-UHFFFAOYSA-N -1 1 283.736 2.511 20 0 CFADMM Cc1cc(S(N)(=O)=O)ccc1-c1cccc([O-])c1Cl ZINC001242801069 781765738 /nfs/dbraw/zinc/76/57/38/781765738.db2.gz XJMNJBAWSNAPJW-UHFFFAOYSA-N -1 1 297.763 2.668 20 0 CFADMM [O-]c1cccc(-c2ccc3ncnn3c2F)c1Cl ZINC001242802836 781766713 /nfs/dbraw/zinc/76/67/13/781766713.db2.gz JCYPZFUMPJACEC-UHFFFAOYSA-N -1 1 263.659 2.894 20 0 CFADMM Cc1nc(C(N)=O)ccc1-c1cccc([O-])c1Cl ZINC001242802521 781767729 /nfs/dbraw/zinc/76/77/29/781767729.db2.gz KFVUBNIPOHWUGD-UHFFFAOYSA-N -1 1 262.696 2.515 20 0 CFADMM NC(=O)c1nc2cc(-c3cccc([O-])c3Cl)ccc2o1 ZINC001242802636 781767760 /nfs/dbraw/zinc/76/77/60/781767760.db2.gz DEJNEVFRIRTUHF-UHFFFAOYSA-N -1 1 288.690 2.953 20 0 CFADMM [O-]c1c(Cl)cc(-c2ncnc3c2CNC3)cc1Cl ZINC001242849896 781799872 /nfs/dbraw/zinc/79/98/72/781799872.db2.gz XHMVUNXRTHIMBD-UHFFFAOYSA-N -1 1 282.130 2.759 20 0 CFADMM CSC[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000124557242 187143239 /nfs/dbraw/zinc/14/32/39/187143239.db2.gz QAZZAVGQNPJULT-ZETCQYMHSA-N -1 1 259.758 2.527 20 0 CFADMM CC1(C)CN(C(=O)C(=O)c2ccc([O-])cc2)[C@H]2CCC[C@@H]21 ZINC000294973397 199277382 /nfs/dbraw/zinc/27/73/82/199277382.db2.gz YYPVAPJZRNPNHX-KBPBESRZSA-N -1 1 287.359 2.612 20 0 CFADMM CC[C@H](CSc1nc(C2CC2)cc(=O)[n-]1)OC ZINC000416904864 529418050 /nfs/dbraw/zinc/41/80/50/529418050.db2.gz INGPLOANISSCIW-SECBINFHSA-N -1 1 254.355 2.577 20 0 CFADMM CC[C@@H](C)[C@](C)(O)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000156858711 529427183 /nfs/dbraw/zinc/42/71/83/529427183.db2.gz JIJSGAPYUGMOTC-YMTOWFKASA-N -1 1 285.771 2.573 20 0 CFADMM COCCC[C@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456777774 536663752 /nfs/dbraw/zinc/66/37/52/536663752.db2.gz GQZYBWPIPYJMRA-QMMMGPOBSA-N -1 1 273.279 2.672 20 0 CFADMM Cc1sc(C(=O)[O-])cc1CN1CCC(F)(F)CC1 ZINC000405072933 290028882 /nfs/dbraw/zinc/02/88/82/290028882.db2.gz XZUUHFKXCZGVKX-UHFFFAOYSA-N -1 1 275.320 2.986 20 0 CFADMM CC(C)c1cc([N-]S(=O)(=O)c2ccccc2Cl)[nH]n1 ZINC000126164111 187221632 /nfs/dbraw/zinc/22/16/32/187221632.db2.gz GPBFWOYTTDGJIV-UHFFFAOYSA-N -1 1 299.783 2.987 20 0 CFADMM CC(C)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2)[nH]n1 ZINC000126168001 187222031 /nfs/dbraw/zinc/22/20/31/187222031.db2.gz IPXHQRVPHTVILB-UHFFFAOYSA-N -1 1 299.783 2.987 20 0 CFADMM C[C@@H](CCc1cccn1C)NC(=O)c1c([O-])cccc1F ZINC000126493221 187243905 /nfs/dbraw/zinc/24/39/05/187243905.db2.gz UAMUHKITIWVDKB-NSHDSACASA-N -1 1 290.338 2.621 20 0 CFADMM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC000127879096 187338690 /nfs/dbraw/zinc/33/86/90/187338690.db2.gz VMAAZLJXFXSFMF-RYUDHWBXSA-N -1 1 262.353 2.828 20 0 CFADMM CCc1nc(CNCc2ccsc2)ccc1C(=O)[O-] ZINC000426652900 529740151 /nfs/dbraw/zinc/74/01/51/529740151.db2.gz XQFACSDEODTHLZ-UHFFFAOYSA-N -1 1 276.361 2.694 20 0 CFADMM C[C@H]1CN(Cc2nc(C(C)(C)C)cs2)CC[C@@H]1C(=O)[O-] ZINC000394400402 539439896 /nfs/dbraw/zinc/43/98/96/539439896.db2.gz HTGFDLGANHMKHP-QWRGUYRKSA-N -1 1 296.436 2.983 20 0 CFADMM C[C@@H]1CN(Cc2nc(C(C)(C)C)cs2)CC[C@@H]1C(=O)[O-] ZINC000394400401 539440108 /nfs/dbraw/zinc/44/01/08/539440108.db2.gz HTGFDLGANHMKHP-MNOVXSKESA-N -1 1 296.436 2.983 20 0 CFADMM O=C(Nc1ccc(-n2cccn2)cc1)c1cc(F)ccc1[O-] ZINC000175192733 232308561 /nfs/dbraw/zinc/30/85/61/232308561.db2.gz VOKUELXMXKJREC-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1ccc(O)cc1[O-] ZINC000176059844 232326689 /nfs/dbraw/zinc/32/66/89/232326689.db2.gz JEJNHEMTNZTKRC-UHFFFAOYSA-N -1 1 297.310 2.869 20 0 CFADMM Cc1ncsc1CCNCc1c(F)ccc(O)c1F ZINC000295126247 199359113 /nfs/dbraw/zinc/35/91/13/199359113.db2.gz XYAHOCCYZRSLIS-UHFFFAOYSA-N -1 1 284.331 2.768 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N(CCCO)C1CC1 ZINC000404304138 539540155 /nfs/dbraw/zinc/54/01/55/539540155.db2.gz OVKWOJMAOGVPEO-UHFFFAOYSA-N -1 1 285.343 2.532 20 0 CFADMM COCCOc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000055571037 346593220 /nfs/dbraw/zinc/59/32/20/346593220.db2.gz ZFZQWUBZENLLBJ-UHFFFAOYSA-N -1 1 287.315 2.670 20 0 CFADMM CCCNC(=O)c1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000060645172 346670361 /nfs/dbraw/zinc/67/03/61/346670361.db2.gz AGXBJSVOQUGCKC-UHFFFAOYSA-N -1 1 298.342 2.784 20 0 CFADMM CCn1cc(NC(=O)c2ccc(C(C)C)cc2[O-])cn1 ZINC000079964372 347333495 /nfs/dbraw/zinc/33/34/95/347333495.db2.gz LGCNCNLLYJJHIZ-UHFFFAOYSA-N -1 1 273.336 2.984 20 0 CFADMM CC(C)(C)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084937012 347477191 /nfs/dbraw/zinc/47/71/91/347477191.db2.gz CCPRUPYPGSBDGM-UHFFFAOYSA-N -1 1 267.350 2.757 20 0 CFADMM CN(C(=O)c1cc(F)ccc1[O-])C1CCCCC1 ZINC000128595805 187379061 /nfs/dbraw/zinc/37/90/61/187379061.db2.gz UQHUFJHZUWVVEV-UHFFFAOYSA-N -1 1 251.301 2.936 20 0 CFADMM CCc1nsc(NCCc2n[n-]c(=S)n2C(C)C)n1 ZINC000092655462 347636989 /nfs/dbraw/zinc/63/69/89/347636989.db2.gz YSLMZOJAKDNPOR-UHFFFAOYSA-N -1 1 298.441 2.590 20 0 CFADMM CCc1nsc([N-]c2cnn(CC(F)(F)F)c2)n1 ZINC000092655698 347637069 /nfs/dbraw/zinc/63/70/69/347637069.db2.gz UXBXHPQYJTVDHU-UHFFFAOYSA-N -1 1 277.275 2.603 20 0 CFADMM CC(C)c1nsc([N-]c2cnn(CC(F)F)c2)n1 ZINC000092655312 347637082 /nfs/dbraw/zinc/63/70/82/347637082.db2.gz JOHGUIYYWRUBBI-UHFFFAOYSA-N -1 1 273.312 2.867 20 0 CFADMM CCOc1ccc([C@@H](C)NC(=O)c2cncc([O-])c2)cc1 ZINC000109042790 347744694 /nfs/dbraw/zinc/74/46/94/347744694.db2.gz AQHDUPPXPMIJRR-LLVKDONJSA-N -1 1 286.331 2.677 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N(C)CC3CCC3)cnc2n1 ZINC000111649493 347755191 /nfs/dbraw/zinc/75/51/91/347755191.db2.gz YILYMNAUCQKNEP-UHFFFAOYSA-N -1 1 285.347 2.516 20 0 CFADMM Cc1ccc2c(=O)c(C(=O)N(C)CC3CCC3)c[n-]c2n1 ZINC000111649493 347755193 /nfs/dbraw/zinc/75/51/93/347755193.db2.gz YILYMNAUCQKNEP-UHFFFAOYSA-N -1 1 285.347 2.516 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCC(F)(F)C1 ZINC000335739652 304002316 /nfs/dbraw/zinc/00/23/16/304002316.db2.gz QDNQHONPJABNAY-SSDOTTSWSA-N -1 1 259.227 2.905 20 0 CFADMM C[C@@H]1CC[C@H](C)CN1C(=O)c1cc(F)ccc1[O-] ZINC000128681799 187384288 /nfs/dbraw/zinc/38/42/88/187384288.db2.gz HQTUYNBOCMGSIT-VHSXEESVSA-N -1 1 251.301 2.792 20 0 CFADMM C[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccsc1 ZINC000156893640 347996864 /nfs/dbraw/zinc/99/68/64/347996864.db2.gz FGEJNBCPQQZHNE-YFKPBYRVSA-N -1 1 290.270 2.627 20 0 CFADMM [O-]c1ccc(-c2noc(C[C@H]3CCOC3)n2)c(Cl)c1 ZINC000350578324 348478184 /nfs/dbraw/zinc/47/81/84/348478184.db2.gz MFYVQDOYFDKYBC-MRVPVSSYSA-N -1 1 280.711 2.675 20 0 CFADMM O=C(NCC1CCC(O)CC1)c1ccc2ccccc2c1[O-] ZINC000389047886 348538999 /nfs/dbraw/zinc/53/89/99/348538999.db2.gz RUSUFPIHTMCVPA-UHFFFAOYSA-N -1 1 299.370 2.826 20 0 CFADMM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(F)cc1F)CC2 ZINC000405423514 348597894 /nfs/dbraw/zinc/59/78/94/348597894.db2.gz FVRDTHBJPZYSFC-LBPRGKRZSA-N -1 1 281.302 2.652 20 0 CFADMM CCSCc1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC000590398612 348899111 /nfs/dbraw/zinc/89/91/11/348899111.db2.gz SEGPKLAQAFGNKN-UHFFFAOYSA-N -1 1 291.376 2.929 20 0 CFADMM COC1([C@H](C)NC(=O)c2ccc(Cl)cc2[O-])CCC1 ZINC000413968918 233144963 /nfs/dbraw/zinc/14/49/63/233144963.db2.gz CQFVCHHBEBCYLW-VIFPVBQESA-N -1 1 283.755 2.733 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)C(CC)(CC)CC)n1 ZINC000591302703 349006045 /nfs/dbraw/zinc/00/60/45/349006045.db2.gz SXSRYCONJJRDST-UHFFFAOYSA-N -1 1 281.356 2.741 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)C[C@H](C)CC(C)(C)C)[n-]1 ZINC000591302912 349006404 /nfs/dbraw/zinc/00/64/04/349006404.db2.gz FAWOENRSFDVVMQ-JTQLQIEISA-N -1 1 295.383 2.987 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)C[C@H](C)CC(C)(C)C)n1 ZINC000591302912 349006406 /nfs/dbraw/zinc/00/64/06/349006406.db2.gz FAWOENRSFDVVMQ-JTQLQIEISA-N -1 1 295.383 2.987 20 0 CFADMM CC[C@H]1c2ccccc2CCN1C(=O)c1ncccc1[O-] ZINC000127199821 539714372 /nfs/dbraw/zinc/71/43/72/539714372.db2.gz OKXXLDZTUOBLME-AWEZNQCLSA-N -1 1 282.343 2.937 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)[C@@H]2CCC(C)=C(C)C2)[n-]1 ZINC000592630157 349144132 /nfs/dbraw/zinc/14/41/32/349144132.db2.gz GTWVROCIJBCVPN-LLVKDONJSA-N -1 1 291.351 2.661 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CCC(C)=C(C)C2)n1 ZINC000592630157 349144134 /nfs/dbraw/zinc/14/41/34/349144134.db2.gz GTWVROCIJBCVPN-LLVKDONJSA-N -1 1 291.351 2.661 20 0 CFADMM CSC1(CNC(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000597578600 350112932 /nfs/dbraw/zinc/11/29/32/350112932.db2.gz PZTFNJZHBYPKCQ-UHFFFAOYSA-N -1 1 288.372 2.566 20 0 CFADMM COc1ccc2nc(-c3ccc(Cl)o3)[n-]c(=O)c2c1 ZINC000131449115 539760177 /nfs/dbraw/zinc/76/01/77/539760177.db2.gz GOOGQFPDQVCHJZ-UHFFFAOYSA-N -1 1 276.679 2.845 20 0 CFADMM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000104761154 186020746 /nfs/dbraw/zinc/02/07/46/186020746.db2.gz YVHZQGNWIQAMMV-VXNVDRBHSA-N -1 1 293.310 2.571 20 0 CFADMM Cc1ccc(O)c(C[NH2+]Cc2cc(F)ccc2F)n1 ZINC000105496106 186060382 /nfs/dbraw/zinc/06/03/82/186060382.db2.gz YGVJKOAPRNTVCY-UHFFFAOYSA-N -1 1 264.275 2.664 20 0 CFADMM Cc1ccc(S([O-])=CC(=O)c2ccc[nH]2)cc1C ZINC000107960283 186200595 /nfs/dbraw/zinc/20/05/95/186200595.db2.gz SUAJRQIXJBXTLN-GOSISDBHSA-N -1 1 261.346 2.622 20 0 CFADMM Cc1ccc([S@@](=O)C=C([O-])c2ccc[nH]2)cc1C ZINC000107960283 186200597 /nfs/dbraw/zinc/20/05/97/186200597.db2.gz SUAJRQIXJBXTLN-GOSISDBHSA-N -1 1 261.346 2.622 20 0 CFADMM Cc1cccc(-c2noc(-c3cc(F)ccc3[O-])n2)n1 ZINC000132985171 539800926 /nfs/dbraw/zinc/80/09/26/539800926.db2.gz DQZOTOHLVUEDIM-UHFFFAOYSA-N -1 1 271.251 2.952 20 0 CFADMM O=C(CSC[C@H]1CCCCO1)Nc1cccc(F)c1[O-] ZINC000600443598 350556045 /nfs/dbraw/zinc/55/60/45/350556045.db2.gz FKSORKUIFXGJDJ-SNVBAGLBSA-N -1 1 299.367 2.772 20 0 CFADMM CCOC(=O)C1(C(=O)Nc2cccc(F)c2[O-])CCCC1 ZINC000600445093 350556553 /nfs/dbraw/zinc/55/65/53/350556553.db2.gz LPHFXXLGSCKYOQ-UHFFFAOYSA-N -1 1 295.310 2.593 20 0 CFADMM CCCCCc1nnc(NC(=O)c2cncc([O-])c2)s1 ZINC000109942678 186279546 /nfs/dbraw/zinc/27/95/46/186279546.db2.gz WFRZMADVBCPDRA-UHFFFAOYSA-N -1 1 292.364 2.624 20 0 CFADMM CCCc1c(C)[n-]n(-c2ccc(C(=O)OC)c(F)c2)c1=O ZINC000601950192 350817041 /nfs/dbraw/zinc/81/70/41/350817041.db2.gz XLHRJJYVODCWNU-NSHDSACASA-N -1 1 292.310 2.751 20 0 CFADMM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000112708043 186522138 /nfs/dbraw/zinc/52/21/38/186522138.db2.gz AYHJNEFOZKCDGB-ZETCQYMHSA-N -1 1 293.310 2.571 20 0 CFADMM CC[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1[O-])N(C)C ZINC000271427060 191131371 /nfs/dbraw/zinc/13/13/71/191131371.db2.gz ZSWBCCWBFXSNLB-SNVBAGLBSA-N -1 1 291.178 2.978 20 0 CFADMM CS[C@H](C)CNC(=O)N=c1[n-]sc2ccccc21 ZINC000603050597 351094995 /nfs/dbraw/zinc/09/49/95/351094995.db2.gz JPAFDBDROVILJG-MRVPVSSYSA-N -1 1 281.406 2.591 20 0 CFADMM CSCCCN(C)C(=O)N=c1[n-]sc2ccccc21 ZINC000603050601 351095151 /nfs/dbraw/zinc/09/51/51/351095151.db2.gz JTGBQNMGSSLJKU-UHFFFAOYSA-N -1 1 295.433 2.935 20 0 CFADMM COc1ccc(OC)c(C(=O)Nc2c([O-])cccc2F)c1 ZINC000605440631 351246970 /nfs/dbraw/zinc/24/69/70/351246970.db2.gz XHJJWXMHCCIGER-UHFFFAOYSA-N -1 1 291.278 2.801 20 0 CFADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1c(O)cccc1F ZINC000608004654 351386114 /nfs/dbraw/zinc/38/61/14/351386114.db2.gz PJLGIPMYUHMMQG-UHFFFAOYSA-N -1 1 299.298 2.780 20 0 CFADMM C[C@H](Oc1ccccc1)C(=O)Nc1c([O-])cccc1F ZINC000608366183 351425939 /nfs/dbraw/zinc/42/59/39/351425939.db2.gz FQAPTEKCGXSZIJ-JTQLQIEISA-N -1 1 275.279 2.937 20 0 CFADMM CC(=O)c1ccc(CC(=O)Nc2c([O-])cccc2F)cc1 ZINC000608366010 351426094 /nfs/dbraw/zinc/42/60/94/351426094.db2.gz YWKMWMBHEBZTSI-UHFFFAOYSA-N -1 1 287.290 2.915 20 0 CFADMM Cc1cccc(C(=O)Nc2c([O-])cccc2F)c1O ZINC000608365796 351426160 /nfs/dbraw/zinc/42/61/60/351426160.db2.gz JTGWMVPDGAXVKZ-UHFFFAOYSA-N -1 1 261.252 2.798 20 0 CFADMM CSCc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000609550432 351507225 /nfs/dbraw/zinc/50/72/25/351507225.db2.gz XMOSTFPLFAQHNB-UHFFFAOYSA-N -1 1 274.345 2.903 20 0 CFADMM CSCCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000611453378 351692697 /nfs/dbraw/zinc/69/26/97/351692697.db2.gz OTGCOTZEZFGDPF-UHFFFAOYSA-N -1 1 279.283 2.504 20 0 CFADMM CCC[C@H](CC)NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000291602870 198048336 /nfs/dbraw/zinc/04/83/36/198048336.db2.gz XKKISAVFYLWOTO-VIFPVBQESA-N -1 1 283.397 2.521 20 0 CFADMM O=C(Nc1cccnc1N1CCCC1)c1ccccc1[O-] ZINC000611861479 351747835 /nfs/dbraw/zinc/74/78/35/351747835.db2.gz YMENXDDXJRWTFS-UHFFFAOYSA-N -1 1 283.331 2.640 20 0 CFADMM Cc1cc(F)ccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000122370081 187029450 /nfs/dbraw/zinc/02/94/50/187029450.db2.gz AMRWWBXSWUHFIE-UHFFFAOYSA-N -1 1 288.204 2.523 20 0 CFADMM CCc1nn(C)cc1NC(=O)c1cc(SC)ccc1[O-] ZINC000613249254 351924425 /nfs/dbraw/zinc/92/44/25/351924425.db2.gz HSWKCNCAYOBFIQ-UHFFFAOYSA-N -1 1 291.376 2.662 20 0 CFADMM CC(C)(C)n1cnc(C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000291933211 198109328 /nfs/dbraw/zinc/10/93/28/198109328.db2.gz OQAKGFHINWLUCU-UHFFFAOYSA-N -1 1 294.742 2.644 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@]2(C)CCC[C@H]2C)c1 ZINC000451660287 383678940 /nfs/dbraw/zinc/67/89/40/383678940.db2.gz FKESTQMPIWGYCB-QLJPJBMISA-N -1 1 291.347 2.944 20 0 CFADMM COc1ccc([O-])c(C(=O)c2cnn(C3CCC3)c2)c1 ZINC000614081648 352043438 /nfs/dbraw/zinc/04/34/38/352043438.db2.gz SMYAMELBSJKIDM-UHFFFAOYSA-N -1 1 272.304 2.553 20 0 CFADMM Cc1ccc([O-])c(C(=O)c2cnn(C3CCC3)c2)c1 ZINC000614081036 352043605 /nfs/dbraw/zinc/04/36/05/352043605.db2.gz PKBUQRKLCGJAHZ-UHFFFAOYSA-N -1 1 256.305 2.853 20 0 CFADMM CC1(C)COCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000614430994 352094933 /nfs/dbraw/zinc/09/49/33/352094933.db2.gz PGOZFJMPWTZATJ-UHFFFAOYSA-N -1 1 289.253 2.620 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccc(C(C)C)c1 ZINC000615225413 352169726 /nfs/dbraw/zinc/16/97/26/352169726.db2.gz AKQCYGHVTOECNA-UHFFFAOYSA-N -1 1 259.309 2.799 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000615226366 352169996 /nfs/dbraw/zinc/16/99/96/352169996.db2.gz KBJHCSZYVTUOKJ-UHFFFAOYSA-N -1 1 289.335 2.711 20 0 CFADMM CCC[C@H](CC(C)C)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000615225830 352170039 /nfs/dbraw/zinc/17/00/39/352170039.db2.gz GVPGBFWKZAYOSE-SNVBAGLBSA-N -1 1 253.346 2.825 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(C2CC2)cc1 ZINC000615229933 352170796 /nfs/dbraw/zinc/17/07/96/352170796.db2.gz YFRBRNAUWRBFFJ-UHFFFAOYSA-N -1 1 257.293 2.553 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@H]1CCCC[C@H]1C 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CC1(C)CN(C(=O)c2ncccc2[O-])CCc2ccccc21 ZINC000617518802 352575173 /nfs/dbraw/zinc/57/51/73/352575173.db2.gz WRNUKLAXIRMIHG-UHFFFAOYSA-N -1 1 296.370 2.763 20 0 CFADMM C[C@H]1CCC[C@@H](CNC(=O)c2ccc(Cl)cc2[O-])O1 ZINC000618571029 352813698 /nfs/dbraw/zinc/81/36/98/352813698.db2.gz ZJECAXZAKQKYIW-ONGXEEELSA-N -1 1 283.755 2.733 20 0 CFADMM Cn1ncc2ccc(-c3nc4ccccc4c(=O)[n-]3)cc21 ZINC000446990002 282852835 /nfs/dbraw/zinc/85/28/35/282852835.db2.gz PAPDEWAUMROJNQ-UHFFFAOYSA-N -1 1 276.299 2.889 20 0 CFADMM CSC1(CNC(=O)c2ccc([O-])c(F)c2)CCC1 ZINC000619134245 352964315 /nfs/dbraw/zinc/96/43/15/352964315.db2.gz AHLOEXVOUMDLQF-UHFFFAOYSA-N -1 1 269.341 2.547 20 0 CFADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000619366879 353007129 /nfs/dbraw/zinc/00/71/29/353007129.db2.gz IWIZUMFKGCJRPP-PSASIEDQSA-N -1 1 285.265 2.893 20 0 CFADMM C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc(F)ccc1[O-] ZINC000619924257 353080979 /nfs/dbraw/zinc/08/09/79/353080979.db2.gz FBGXZKTZUDBGCT-LLVKDONJSA-N -1 1 293.338 2.705 20 0 CFADMM CC(NC(=O)c1ccc([O-])c(F)c1)(C1CC1)C1CC1 ZINC000620025469 353097749 /nfs/dbraw/zinc/09/77/49/353097749.db2.gz SCGCWTHKVBWMES-UHFFFAOYSA-N -1 1 263.312 2.840 20 0 CFADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([O-])c(F)c1 ZINC000620431024 353169342 /nfs/dbraw/zinc/16/93/42/353169342.db2.gz YMPCAYPAEVGMLC-CLYYMRHHSA-N -1 1 263.312 2.934 20 0 CFADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@@]1(C)CO ZINC000620446882 353172127 /nfs/dbraw/zinc/17/21/27/353172127.db2.gz AYDXDQNEFNTXJH-SGTLLEGYSA-N -1 1 299.370 2.636 20 0 CFADMM O=C(c1ncccc1[O-])N1CCC[C@@H]1C1CCCCC1 ZINC000153616671 188092767 /nfs/dbraw/zinc/09/27/67/188092767.db2.gz MLIODNUWXBAVBL-CYBMUJFWSA-N -1 1 274.364 2.972 20 0 CFADMM CC1(C)OCC[C@@H]1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000620506968 353177727 /nfs/dbraw/zinc/17/77/27/353177727.db2.gz OXWKQIZRVRPWKA-SECBINFHSA-N -1 1 283.755 2.591 20 0 CFADMM CO[C@@H](CNC(=O)c1ccc([O-])cc1F)C1CCCCC1 ZINC000620374891 353161316 /nfs/dbraw/zinc/16/13/16/353161316.db2.gz QLPQVJFZCLSBQR-HNNXBMFYSA-N -1 1 295.354 2.856 20 0 CFADMM Cc1ccc(C[C@H]2CCCN2C(=O)c2ncccc2[O-])cc1 ZINC000153821554 188105558 /nfs/dbraw/zinc/10/55/58/188105558.db2.gz NBKTVQVDGWSJGW-OAHLLOKOSA-N -1 1 296.370 2.943 20 0 CFADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ncccc1[O-] ZINC000153871688 188109214 /nfs/dbraw/zinc/10/92/14/188109214.db2.gz OUVRLDOEYXWRCG-ZDUSSCGKSA-N -1 1 285.347 2.796 20 0 CFADMM CCCO[C@H]1CCCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000154875885 188167569 /nfs/dbraw/zinc/16/75/69/188167569.db2.gz YLKOPWBHTMXBFB-ZDUSSCGKSA-N -1 1 295.354 2.953 20 0 CFADMM C[C@H](C(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000155011263 188176307 /nfs/dbraw/zinc/17/63/07/188176307.db2.gz OMZKELBPXYSLMY-VIFPVBQESA-N -1 1 261.243 2.790 20 0 CFADMM O=S(=O)(CCC1CC1)[N-][C@@H](C(F)F)C1CCCCC1 ZINC000621322718 353322852 /nfs/dbraw/zinc/32/28/52/353322852.db2.gz FNLDKMAHEWJWBX-GFCCVEGCSA-N -1 1 295.395 2.920 20 0 CFADMM COC(=O)c1c[n-]c(SCc2ccc(N(C)C)cc2)n1 ZINC000292626528 198355288 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O=C(c1c(F)ccc([O-])c1F)N1CCCC(F)(F)CC1 ZINC000628633692 354638088 /nfs/dbraw/zinc/63/80/88/354638088.db2.gz QQAMHUUWBNFKNR-UHFFFAOYSA-N -1 1 291.244 2.932 20 0 CFADMM CCO[C@@H](CC(=O)Nc1cccc(F)c1[O-])C(C)C ZINC000628960330 354707502 /nfs/dbraw/zinc/70/75/02/354707502.db2.gz DBXUWNDACXWVCK-LBPRGKRZSA-N -1 1 269.316 2.921 20 0 CFADMM CC(C)CCO[C@@H](C)C(=O)Nc1cccc(F)c1[O-] ZINC000628961060 354707907 /nfs/dbraw/zinc/70/79/07/354707907.db2.gz NEFAFFMTDAIKCB-JTQLQIEISA-N -1 1 269.316 2.921 20 0 CFADMM C[C@]1(CNC(=O)c2ccc([O-])cc2F)C[C@H]2C[C@H]2C1 ZINC000629047653 354733233 /nfs/dbraw/zinc/73/32/33/354733233.db2.gz IWLZZPZBVBDCMD-RTUWITSCSA-N -1 1 263.312 2.697 20 0 CFADMM C/C=C\CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000629032771 354725425 /nfs/dbraw/zinc/72/54/25/354725425.db2.gz HGRUCUOXHSGKPX-IHWYPQMZSA-N -1 1 259.227 2.717 20 0 CFADMM C[C@]1(CNC(=O)c2c([O-])cccc2F)C[C@H]2C[C@H]2C1 ZINC000629050154 354734089 /nfs/dbraw/zinc/73/40/89/354734089.db2.gz WVDBODJIRKAKNI-RTUWITSCSA-N -1 1 263.312 2.697 20 0 CFADMM O=c1cc(C2CC2)nc(SCCCc2cnoc2)[n-]1 ZINC000629176206 354764723 /nfs/dbraw/zinc/76/47/23/354764723.db2.gz RMPRKGMRTXTXCY-UHFFFAOYSA-N -1 1 277.349 2.773 20 0 CFADMM O=C(Nc1cnc(CC2CC2)nc1)c1ccc([O-])c(F)c1 ZINC000671877849 540035909 /nfs/dbraw/zinc/03/59/09/540035909.db2.gz GGUWOGCPAAIGIF-UHFFFAOYSA-N -1 1 287.294 2.526 20 0 CFADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1CC(F)(F)C1 ZINC000629375652 354793940 /nfs/dbraw/zinc/79/39/40/354793940.db2.gz LHDXQEMMBYEXTB-UHFFFAOYSA-N -1 1 293.273 2.562 20 0 CFADMM O=C([O-])c1csc(C[N@H+]2CCCC3(CC3)CC2)n1 ZINC000629376951 354795226 /nfs/dbraw/zinc/79/52/26/354795226.db2.gz DDYRPLKKHLQKTM-UHFFFAOYSA-N -1 1 266.366 2.607 20 0 CFADMM O=C([O-])c1csc(CN2CCCC3(CC3)CC2)n1 ZINC000629376951 354795230 /nfs/dbraw/zinc/79/52/30/354795230.db2.gz DDYRPLKKHLQKTM-UHFFFAOYSA-N -1 1 266.366 2.607 20 0 CFADMM CC1(CC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC000629379226 354796055 /nfs/dbraw/zinc/79/60/55/354796055.db2.gz DAWOWAQFEKTVHO-UHFFFAOYSA-N -1 1 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ZINC000330681250 203109560 /nfs/dbraw/zinc/10/95/60/203109560.db2.gz OQOOCONDHKBNIP-UHFFFAOYSA-N -1 1 265.338 2.696 20 0 CFADMM O=C(c1cncc([O-])c1)N1Cc2ccccc2C(F)(F)C1 ZINC000676395153 541749575 /nfs/dbraw/zinc/74/95/75/541749575.db2.gz PTITUFZJTVFJPL-UHFFFAOYSA-N -1 1 290.269 2.535 20 0 CFADMM CO[C@H]1C[C@H](N(C)C(=O)c2cc(F)ccc2[O-])C12CCC2 ZINC000456670494 244256340 /nfs/dbraw/zinc/25/63/40/244256340.db2.gz YEITUYMRNZDKQM-KBPBESRZSA-N -1 1 293.338 2.561 20 0 CFADMM O=C(CCCn1cccc1)Nc1c([O-])cccc1F ZINC000676631312 541773190 /nfs/dbraw/zinc/77/31/90/541773190.db2.gz RMWVUOLYAHTRNM-UHFFFAOYSA-N -1 1 262.284 2.752 20 0 CFADMM CC[C@@H](C)Oc1cccc(NC(=O)c2n[nH]c(C)c2[O-])c1 ZINC000676696165 541778050 /nfs/dbraw/zinc/77/80/50/541778050.db2.gz VFQSLNOISAEXNA-SECBINFHSA-N -1 1 289.335 2.853 20 0 CFADMM CCOc1ncc(F)c(-c2ccc(F)c([O-])c2)n1 ZINC001243054817 781960543 /nfs/dbraw/zinc/96/05/43/781960543.db2.gz UOWDXYDZARMOGJ-UHFFFAOYSA-N -1 1 252.220 2.526 20 0 CFADMM CCOc1cc(C[N@@H+]2CC[C@@H](OC)C2)cc(Cl)c1O ZINC000459343973 245150476 /nfs/dbraw/zinc/15/04/76/245150476.db2.gz MDLBHBUDDYESNG-LLVKDONJSA-N -1 1 285.771 2.665 20 0 CFADMM CC(C)C1CN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000677127952 541824459 /nfs/dbraw/zinc/82/44/59/541824459.db2.gz USJCJLRSMHPEDK-UHFFFAOYSA-N -1 1 253.729 2.774 20 0 CFADMM CCOC1(C)CN(Cc2cccc([O-])c2Cl)C1 ZINC000459625927 245249924 /nfs/dbraw/zinc/24/99/24/245249924.db2.gz UJCUGFHOXWYORF-UHFFFAOYSA-N -1 1 255.745 2.656 20 0 CFADMM C[C@@H]1C[C@H](c2noc(-c3ccc([O-])cc3F)n2)CCO1 ZINC000331604563 204004279 /nfs/dbraw/zinc/00/42/79/204004279.db2.gz DJKGJYZESFABGI-RKDXNWHRSA-N -1 1 278.283 2.864 20 0 CFADMM COCc1cccc(NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000025334510 372297567 /nfs/dbraw/zinc/29/75/67/372297567.db2.gz JZRNWAGDQWCTCG-UHFFFAOYSA-N -1 1 287.315 2.800 20 0 CFADMM COc1ccc(-c2nc(-c3ccoc3)no2)c([O-])c1 ZINC000034584621 372510152 /nfs/dbraw/zinc/51/01/52/372510152.db2.gz GRRNBTYEYSLTGJ-UHFFFAOYSA-N -1 1 258.233 2.711 20 0 CFADMM Cc1cc(CN(C)Cc2cccs2)oc1C(=O)[O-] ZINC000036812870 372598007 /nfs/dbraw/zinc/59/80/07/372598007.db2.gz XEJWPOLDZAWURS-UHFFFAOYSA-N -1 1 265.334 2.980 20 0 CFADMM O=C([O-])C[C@@H]1CCCN1Cc1csc(-c2ccco2)n1 ZINC000042162936 372878520 /nfs/dbraw/zinc/87/85/20/372878520.db2.gz VCCOZLUBJGLMTE-NSHDSACASA-N -1 1 292.360 2.842 20 0 CFADMM CCO[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000042327401 372909216 /nfs/dbraw/zinc/90/92/16/372909216.db2.gz VWKYJCLSKKQBNF-LLVKDONJSA-N -1 1 283.755 2.687 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@]2(CCOC2)C1 ZINC000155212137 296195091 /nfs/dbraw/zinc/19/50/91/296195091.db2.gz XWXSZCZJCQSFEX-SFHVURJKSA-N -1 1 297.354 2.798 20 0 CFADMM O=S(=O)([N-]c1cccc(-n2cccn2)c1)c1ccccc1 ZINC000045774195 373031163 /nfs/dbraw/zinc/03/11/63/373031163.db2.gz KVIJDFCORXLADX-UHFFFAOYSA-N -1 1 299.355 2.673 20 0 CFADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCCO1 ZINC000061933732 373738144 /nfs/dbraw/zinc/73/81/44/373738144.db2.gz GPDKSRYTSGXRIR-GFCCVEGCSA-N -1 1 285.343 2.796 20 0 CFADMM Cc1ccc(-c2nc(NC(=O)c3ccccc3[O-])n[nH]2)cc1 ZINC000067510932 373981027 /nfs/dbraw/zinc/98/10/27/373981027.db2.gz XHGXHZNRXBRCJM-UHFFFAOYSA-N -1 1 294.314 2.738 20 0 CFADMM CCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@H](C)C(C)C ZINC000067507355 373981600 /nfs/dbraw/zinc/98/16/00/373981600.db2.gz NPZYHDSKEHQRDY-LLVKDONJSA-N -1 1 287.363 2.842 20 0 CFADMM COc1cccc(C(=O)Nc2c([O-])cccc2F)c1F ZINC000677797664 541906171 /nfs/dbraw/zinc/90/61/71/541906171.db2.gz DEFXEDZQUYKQMI-UHFFFAOYSA-N -1 1 279.242 2.931 20 0 CFADMM Cc1c(C(=O)Nc2c([O-])cccc2F)sc2nccn12 ZINC000677890741 541919372 /nfs/dbraw/zinc/91/93/72/541919372.db2.gz CZPBQOJOTATLPN-UHFFFAOYSA-N -1 1 291.307 2.801 20 0 CFADMM CC(=O)c1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1F ZINC000491600053 541930423 /nfs/dbraw/zinc/93/04/23/541930423.db2.gz YETVXCLRBGDQRK-UHFFFAOYSA-N -1 1 283.262 2.739 20 0 CFADMM CSc1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccn1 ZINC000678029940 541937958 /nfs/dbraw/zinc/93/79/58/541937958.db2.gz GKTDOUNWDYWVKH-UHFFFAOYSA-N -1 1 294.401 2.913 20 0 CFADMM COc1ccc(/C=C/C(=O)Nc2ccc(F)cc2[O-])nc1 ZINC000492546458 246325539 /nfs/dbraw/zinc/32/55/39/246325539.db2.gz DHYNQVHXNVZFFG-QPJJXVBHSA-N -1 1 288.278 2.587 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1C[C@@H]2CCCC[C@@H]2C1 ZINC000080036165 374637572 /nfs/dbraw/zinc/63/75/72/374637572.db2.gz OCRLQYZONADJSQ-PHIMTYICSA-N -1 1 263.312 2.794 20 0 CFADMM C[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000081957983 374724735 /nfs/dbraw/zinc/72/47/35/374724735.db2.gz XNLRAZWDUPELKR-SNVBAGLBSA-N -1 1 251.301 2.794 20 0 CFADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000529465192 383703846 /nfs/dbraw/zinc/70/38/46/383703846.db2.gz IQALPUMHXDZVAB-SDCKUUTBSA-N -1 1 285.290 2.668 20 0 CFADMM C[C@@H]1[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)[C@@H]1C1CC1 ZINC000529467946 383704787 /nfs/dbraw/zinc/70/47/87/383704787.db2.gz ZSUBFMJVBXSOTR-NRZXQICZSA-N -1 1 267.275 2.901 20 0 CFADMM O=C(NC1Cc2ccccc2C1)c1cc(Cl)ccc1[O-] ZINC000090484900 375016446 /nfs/dbraw/zinc/01/64/46/375016446.db2.gz JETXPPQDBSJLMB-UHFFFAOYSA-N -1 1 287.746 2.943 20 0 CFADMM O=C(N[C@H]1CCCC[C@H]1CO)c1cc2ccccc2cc1[O-] ZINC000092757253 375150451 /nfs/dbraw/zinc/15/04/51/375150451.db2.gz XRULNECXQDPNNE-HOCLYGCPSA-N -1 1 299.370 2.826 20 0 CFADMM Cc1cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)oc1C(=O)[O-] ZINC000571571671 383706429 /nfs/dbraw/zinc/70/64/29/383706429.db2.gz USDFSJGYHUHISK-CYBMUJFWSA-N -1 1 293.363 2.677 20 0 CFADMM Cc1cc(CN2CCC[C@@H](OCC3CC3)C2)oc1C(=O)[O-] ZINC000571571671 383706433 /nfs/dbraw/zinc/70/64/33/383706433.db2.gz USDFSJGYHUHISK-CYBMUJFWSA-N -1 1 293.363 2.677 20 0 CFADMM CCCc1cc(=O)[n-]c(SCC[C@@H]2CCCC2=O)n1 ZINC000093556387 375265431 /nfs/dbraw/zinc/26/54/31/375265431.db2.gz JFEHRQUJKCKUSF-JTQLQIEISA-N -1 1 280.393 2.574 20 0 CFADMM O=C(NO[C@@H]1CCCCO1)c1ccc2ccccc2c1[O-] ZINC000101669686 375650432 /nfs/dbraw/zinc/65/04/32/375650432.db2.gz FTFRWMONXKUFIZ-CQSZACIVSA-N -1 1 287.315 2.733 20 0 CFADMM O=[S@](C=C([O-])c1ccc[nH]1)c1cc(Cl)ccc1F ZINC000505834546 247153842 /nfs/dbraw/zinc/15/38/42/247153842.db2.gz TZHQRBNEOZXVTL-GOSISDBHSA-N -1 1 285.727 2.798 20 0 CFADMM CC(C)(C)CCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000103431727 375745553 /nfs/dbraw/zinc/74/55/53/375745553.db2.gz XTBVVRCHRKGRNI-UHFFFAOYSA-N -1 1 278.278 2.978 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000104419360 375782739 /nfs/dbraw/zinc/78/27/39/375782739.db2.gz SFIMZABYZSEPAJ-FZMZJTMJSA-N -1 1 260.337 2.582 20 0 CFADMM Cc1noc(C)c1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111668168 375863231 /nfs/dbraw/zinc/86/32/31/375863231.db2.gz PTVDVHCKFMBYSJ-UHFFFAOYSA-N -1 1 280.711 2.832 20 0 CFADMM CN(C)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000111667334 375861843 /nfs/dbraw/zinc/86/18/43/375861843.db2.gz SGEIURZQOBZHDB-UHFFFAOYSA-N -1 1 291.738 2.759 20 0 CFADMM CC(C)[C@@H](NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000111776705 375871301 /nfs/dbraw/zinc/87/13/01/375871301.db2.gz FTBFCQYNFMJMSB-OAHLLOKOSA-N -1 1 270.332 2.914 20 0 CFADMM Cc1c2ccccc2oc1[C@@H](NC(=O)c1cnn[nH]1)C(C)C ZINC000112199180 375891174 /nfs/dbraw/zinc/89/11/74/375891174.db2.gz LJWFDHYFPDHYFB-AWEZNQCLSA-N -1 1 298.346 2.986 20 0 CFADMM O=C(Nc1ccc2ncccc2c1)c1cncc([O-])c1 ZINC000111772313 375869259 /nfs/dbraw/zinc/86/92/59/375869259.db2.gz QGNWLAIHBCOKLT-UHFFFAOYSA-N -1 1 265.272 2.588 20 0 CFADMM Cc1ncsc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000113642604 376026881 /nfs/dbraw/zinc/02/68/81/376026881.db2.gz VLWJUHXLVUXMMN-UHFFFAOYSA-N -1 1 276.361 2.782 20 0 CFADMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1C ZINC000120378545 376604803 /nfs/dbraw/zinc/60/48/03/376604803.db2.gz YWFUUUYHTNUEJQ-UHFFFAOYSA-N -1 1 299.783 2.789 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cn1 ZINC000121271811 376796244 /nfs/dbraw/zinc/79/62/44/376796244.db2.gz JGYIIXIUDKHALU-UHFFFAOYSA-N -1 1 288.372 2.680 20 0 CFADMM O=C(Nc1c(O)cccc1F)c1ccc([O-])cc1F ZINC000679173389 542130670 /nfs/dbraw/zinc/13/06/70/542130670.db2.gz DIOFLOCXZVSYPJ-UHFFFAOYSA-N -1 1 265.215 2.628 20 0 CFADMM CN(CC1CCCC1)C(=O)c1c([O-])cccc1F ZINC000121643162 376875431 /nfs/dbraw/zinc/87/54/31/376875431.db2.gz PAYODITWZXPTHQ-UHFFFAOYSA-N -1 1 251.301 2.794 20 0 CFADMM O=C([O-])[C@H]1CCCN(Cc2cc(F)ccc2Cl)C1 ZINC000124442709 377049147 /nfs/dbraw/zinc/04/91/47/377049147.db2.gz UJSSMXCARPPHLC-VIFPVBQESA-N -1 1 271.719 2.776 20 0 CFADMM C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1nc(=O)c2sccc2[n-]1 ZINC000125140616 377121438 /nfs/dbraw/zinc/12/14/38/377121438.db2.gz OBQQANBHJVKWPY-WDEREUQCSA-N -1 1 291.420 2.995 20 0 CFADMM CC(C)c1ncc(C(=O)Nc2ccncc2[O-])s1 ZINC000127049458 377262449 /nfs/dbraw/zinc/26/24/49/377262449.db2.gz CVTKSRHRSVVWPU-UHFFFAOYSA-N -1 1 263.322 2.619 20 0 CFADMM Cc1nc(C)c(C(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000128152418 377320412 /nfs/dbraw/zinc/32/04/12/377320412.db2.gz ZMVPVRLGIRIQKK-UHFFFAOYSA-N -1 1 266.684 2.903 20 0 CFADMM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc2[nH]nnc2c1 ZINC000129714752 377465207 /nfs/dbraw/zinc/46/52/07/377465207.db2.gz CLNLDIRBWAYEFR-HNNXBMFYSA-N -1 1 295.346 2.576 20 0 CFADMM CC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000130777118 377610302 /nfs/dbraw/zinc/61/03/02/377610302.db2.gz ICZYRLJSOMHQLF-SECBINFHSA-N -1 1 253.729 2.918 20 0 CFADMM CCc1nc(S(=O)(=O)CCC2C[C@@H](C)C[C@H](C)C2)n[n-]1 ZINC000131135484 377663534 /nfs/dbraw/zinc/66/35/34/377663534.db2.gz IHAIZFLLEJMGDN-QWRGUYRKSA-N -1 1 299.440 2.603 20 0 CFADMM C[C@H](OC1CCCCCC1)C(=O)Nc1ccncc1[O-] ZINC000131276578 377686459 /nfs/dbraw/zinc/68/64/59/377686459.db2.gz BKYNZVOJRZBVLP-NSHDSACASA-N -1 1 278.352 2.854 20 0 CFADMM C[C@H](CN(C)C(=O)c1c([O-])cccc1F)c1nccs1 ZINC000131885039 377773565 /nfs/dbraw/zinc/77/35/65/377773565.db2.gz RLYOIOABEOJCCV-SECBINFHSA-N -1 1 294.351 2.864 20 0 CFADMM CC[C@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)N(C)C ZINC000132192753 377812476 /nfs/dbraw/zinc/81/24/76/377812476.db2.gz MVUMWXSSVZXJPR-SNVBAGLBSA-N -1 1 291.178 2.978 20 0 CFADMM C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000132928421 377887612 /nfs/dbraw/zinc/88/76/12/377887612.db2.gz NPGDQZXPMFLTBY-DGCLKSJQSA-N -1 1 295.354 2.687 20 0 CFADMM C[C@@]1(c2nc(-c3ccc([O-])c(F)c3)no2)CCCOC1 ZINC000278267511 193890534 /nfs/dbraw/zinc/89/05/34/193890534.db2.gz VGYQZPDTOSXAGU-CQSZACIVSA-N -1 1 278.283 2.649 20 0 CFADMM CCCc1n[n-]c(=S)n1CC(=O)Nc1ccsc1 ZINC000135356986 378123898 /nfs/dbraw/zinc/12/38/98/378123898.db2.gz SUQOVZDQXAHNTB-UHFFFAOYSA-N -1 1 282.394 2.593 20 0 CFADMM CCN(Cc1ccccc1C)C(=O)c1ncccc1[O-] ZINC000135277660 378108664 /nfs/dbraw/zinc/10/86/64/378108664.db2.gz NIWCORJUHBTGIH-UHFFFAOYSA-N -1 1 270.332 2.758 20 0 CFADMM C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])CC[C@@H]1C ZINC000153763352 378509062 /nfs/dbraw/zinc/50/90/62/378509062.db2.gz OEDHDUGEOOYQMA-UWVGGRQHSA-N -1 1 251.301 2.649 20 0 CFADMM CC(C)(C)CCCC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000330461267 378561754 /nfs/dbraw/zinc/56/17/54/378561754.db2.gz RSAZHIKSUKSJRZ-LLVKDONJSA-N -1 1 295.383 2.698 20 0 CFADMM COc1cc(-c2nc3cc[nH]cc-3n2)cc(Cl)c1[O-] ZINC000154578081 378581755 /nfs/dbraw/zinc/58/17/55/378581755.db2.gz YSGPMBWFMBJMPW-UHFFFAOYSA-N -1 1 275.695 2.993 20 0 CFADMM [O-]C(=NO[C@@H]1CCCCO1)Nc1nc2c(s1)CCCC2 ZINC000155606337 378629873 /nfs/dbraw/zinc/62/98/73/378629873.db2.gz MXPZTYLBWNBKLB-LLVKDONJSA-N -1 1 297.380 2.602 20 0 CFADMM O=C([N-]O[C@@H]1CCCCO1)Nc1nc2c(s1)CCCC2 ZINC000155606337 378629879 /nfs/dbraw/zinc/62/98/79/378629879.db2.gz MXPZTYLBWNBKLB-LLVKDONJSA-N -1 1 297.380 2.602 20 0 CFADMM CC(C)C[C@@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000331247349 378658625 /nfs/dbraw/zinc/65/86/25/378658625.db2.gz SWKDJMQCPAWDPD-ZDUSSCGKSA-N -1 1 275.348 2.612 20 0 CFADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C(=O)c1ccc([O-])cc1 ZINC000332239830 378739924 /nfs/dbraw/zinc/73/99/24/378739924.db2.gz IOKVTLUCPJMFNY-UXIGCNINSA-N -1 1 287.359 2.755 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@@H](C3CCCC3)C2)c([O-])c1 ZINC000333779425 378857546 /nfs/dbraw/zinc/85/75/46/378857546.db2.gz UDFMMSFYBVUUIR-CYBMUJFWSA-N -1 1 274.364 2.748 20 0 CFADMM O=c1cc(C2CC2)nc(SC[C@@H]2CCCC[C@H]2O)[n-]1 ZINC000334024480 378890144 /nfs/dbraw/zinc/89/01/44/378890144.db2.gz GGCONVDVSUPAIG-CMPLNLGQSA-N -1 1 280.393 2.703 20 0 CFADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC[C@@H]2CCC[C@H]21 ZINC000334200743 378917520 /nfs/dbraw/zinc/91/75/20/378917520.db2.gz QRLVIXTYIKQPIG-GXFFZTMASA-N -1 1 291.420 2.544 20 0 CFADMM Cc1cc(F)ccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000334223319 378946868 /nfs/dbraw/zinc/94/68/68/378946868.db2.gz ZLAKLXJSDLSBCX-UHFFFAOYSA-N -1 1 273.263 2.661 20 0 CFADMM O=S(=O)(C[C@@H]1CCCC(F)(F)C1)c1ccc([O-])cc1 ZINC000334223766 378946901 /nfs/dbraw/zinc/94/69/01/378946901.db2.gz AHZHVBWDLTWBFQ-SNVBAGLBSA-N -1 1 290.331 2.991 20 0 CFADMM CCOc1cccc(NC(=O)c2ccc([O-])cc2F)n1 ZINC000679999157 542262597 /nfs/dbraw/zinc/26/25/97/542262597.db2.gz HLHVLBGVZWCKBD-UHFFFAOYSA-N -1 1 276.267 2.577 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2c(C)ccnc2C)ccc1F ZINC000334390279 379212656 /nfs/dbraw/zinc/21/26/56/379212656.db2.gz SWKIBIMWCYZPAH-UHFFFAOYSA-N -1 1 294.351 2.947 20 0 CFADMM Cc1cccc2nc(-c3ccc(O)cc3)[n-]c(=O)c12 ZINC000048606491 412910397 /nfs/dbraw/zinc/91/03/97/412910397.db2.gz GDBTZKGLQNNGNV-UHFFFAOYSA-N -1 1 252.273 2.604 20 0 CFADMM O=S(=O)([N-][C@H]1CCC[C@H](F)C1)c1sccc1Cl ZINC000335423226 379271210 /nfs/dbraw/zinc/27/12/10/379271210.db2.gz YMFOEJPADGZDHV-YUMQZZPRSA-N -1 1 297.804 2.961 20 0 CFADMM [O-]c1cccc(CN2CCO[C@]3(CCSC3)C2)c1Cl ZINC000335424965 379272650 /nfs/dbraw/zinc/27/26/50/379272650.db2.gz UXDSSHVWQOMOAW-CQSZACIVSA-N -1 1 299.823 2.754 20 0 CFADMM O=C(C(=O)N1CC[C@@H](C2CCCC2)C1)c1ccc([O-])cc1 ZINC000335498168 379403841 /nfs/dbraw/zinc/40/38/41/379403841.db2.gz FCHLGNPAVVKNSO-CQSZACIVSA-N -1 1 287.359 2.614 20 0 CFADMM Cc1ccnc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000334509188 379421021 /nfs/dbraw/zinc/42/10/21/379421021.db2.gz RSHXOFRATOYBIZ-UHFFFAOYSA-N -1 1 294.351 2.947 20 0 CFADMM O=C(NCCc1cccc2ccccc21)c1cncc([O-])c1 ZINC000171863251 379422982 /nfs/dbraw/zinc/42/29/82/379422982.db2.gz PAXJDBXJCLOAKF-UHFFFAOYSA-N -1 1 292.338 2.913 20 0 CFADMM Cc1cc(C)c(CCNC(=O)c2cncc([O-])c2)c(C)c1 ZINC000171864807 379425597 /nfs/dbraw/zinc/42/55/97/379425597.db2.gz AJXBHXBXRWDJJG-UHFFFAOYSA-N -1 1 284.359 2.685 20 0 CFADMM CCc1cnc(NC(=O)c2c(F)ccc([O-])c2F)s1 ZINC000334528135 379460425 /nfs/dbraw/zinc/46/04/25/379460425.db2.gz JQOGBLXQXSGYSJ-UHFFFAOYSA-N -1 1 284.287 2.942 20 0 CFADMM CCC[C@]1(C)CCCN(C(=O)c2cncc([O-])c2)C1 ZINC000173243900 379715264 /nfs/dbraw/zinc/71/52/64/379715264.db2.gz PWVOSYNGDGOXKW-OAHLLOKOSA-N -1 1 262.353 2.830 20 0 CFADMM CC(C)n1ccc(C(=O)Nc2ccc(F)cc2[O-])n1 ZINC000335718418 379779034 /nfs/dbraw/zinc/77/90/34/379779034.db2.gz FQOLLMQAOMKYLI-UHFFFAOYSA-N -1 1 263.272 2.561 20 0 CFADMM O=C([N-]c1c(F)cc(F)cc1F)c1cncs1 ZINC000335772636 379864548 /nfs/dbraw/zinc/86/45/48/379864548.db2.gz OFDYGXKFUPMIIE-UHFFFAOYSA-N -1 1 258.224 2.813 20 0 CFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)[C@@H]1CC1(C)C ZINC000335741629 379815220 /nfs/dbraw/zinc/81/52/20/379815220.db2.gz BWWGYMKEVCRLLH-SNVBAGLBSA-N -1 1 291.395 2.659 20 0 CFADMM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cncc([O-])c1 ZINC000174037242 379817970 /nfs/dbraw/zinc/81/79/70/379817970.db2.gz DFOCNLKGNFATIU-HNNXBMFYSA-N -1 1 284.359 2.881 20 0 CFADMM O=C(c1ccc(O)cc1[O-])N1CCc2cc(F)c(F)cc21 ZINC000335808426 379923926 /nfs/dbraw/zinc/92/39/26/379923926.db2.gz RWYXOWDQDNLCJR-UHFFFAOYSA-N -1 1 291.253 2.579 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000335778461 379873085 /nfs/dbraw/zinc/87/30/85/379873085.db2.gz CTKBFHQHLWCSIG-BDAKNGLRSA-N -1 1 288.269 2.509 20 0 CFADMM C[C@@H](CNC(=O)c1cncc([O-])c1)c1ccc(F)cc1F ZINC000175477666 380071411 /nfs/dbraw/zinc/07/14/11/380071411.db2.gz VESYBGFYFODVNX-VIFPVBQESA-N -1 1 292.285 2.599 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])CCC1(F)F ZINC000335907494 380088049 /nfs/dbraw/zinc/08/80/49/380088049.db2.gz POVKTLZITVAQBN-MRVPVSSYSA-N -1 1 273.254 2.649 20 0 CFADMM Cc1nc(CC(=O)Nc2ccc(F)cc2[O-])c(C)s1 ZINC000335973699 380182026 /nfs/dbraw/zinc/18/20/26/380182026.db2.gz XXFUIWSNLXAACK-UHFFFAOYSA-N -1 1 280.324 2.786 20 0 CFADMM CCS[C@H]1CCCC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000176218843 380197286 /nfs/dbraw/zinc/19/72/86/380197286.db2.gz MMLZLMIGPMJVEG-STQMWFEESA-N -1 1 280.393 2.581 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@H]2c2ccccc2)c([O-])c1 ZINC000336107222 380268655 /nfs/dbraw/zinc/26/86/55/380268655.db2.gz DEDZMZAINGLLNZ-ZDUSSCGKSA-N -1 1 268.316 2.683 20 0 CFADMM O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1cc(F)ccc1[O-] ZINC000177158315 380309400 /nfs/dbraw/zinc/30/94/00/380309400.db2.gz JGQODGXVDGZTMX-UHFFFAOYSA-N -1 1 298.277 2.569 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCCSc2ccccc21 ZINC000336434242 380345483 /nfs/dbraw/zinc/34/54/83/380345483.db2.gz GURGNBUDRXVCQI-UHFFFAOYSA-N -1 1 286.356 2.930 20 0 CFADMM Cc1ccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)c(C)c1 ZINC000179381255 380537282 /nfs/dbraw/zinc/53/72/82/380537282.db2.gz BSCFEOZJMAJMBD-UHFFFAOYSA-N -1 1 296.330 2.543 20 0 CFADMM O=C(N[C@H]1CC=CCC1)c1ccc(Br)c([O-])c1 ZINC000179380840 380537816 /nfs/dbraw/zinc/53/78/16/380537816.db2.gz MKJWGSCMBODEMK-JTQLQIEISA-N -1 1 296.164 2.993 20 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XJXQFLFBZTWJPD-ZETCQYMHSA-N -1 1 291.244 2.836 20 0 CFADMM CN(CC(C)(C)C)C(=O)c1c(F)ccc([O-])c1F ZINC000289618672 381070789 /nfs/dbraw/zinc/07/07/89/381070789.db2.gz JVOVUQBJCSPXSE-UHFFFAOYSA-N -1 1 257.280 2.789 20 0 CFADMM COc1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)cn1 ZINC000289637744 381078738 /nfs/dbraw/zinc/07/87/38/381078738.db2.gz WINJGLXXBIHHTL-UHFFFAOYSA-N -1 1 299.302 2.816 20 0 CFADMM Cc1ccc2oc([N-][C@H](C(N)=O)c3ccccc3)nc2c1 ZINC000358876310 381135753 /nfs/dbraw/zinc/13/57/53/381135753.db2.gz YNSLJIZZMPMFQM-AWEZNQCLSA-N -1 1 281.315 2.775 20 0 CFADMM C[C@@H]1[C@H](O)CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000295971843 381190429 /nfs/dbraw/zinc/19/04/29/381190429.db2.gz IEFPHQJZMYLRAG-IAQYHMDHSA-N -1 1 285.343 2.531 20 0 CFADMM O=C(c1ncccc1[O-])N1CC=C(c2cccc(F)c2)CC1 ZINC000370244139 381411059 /nfs/dbraw/zinc/41/10/59/381411059.db2.gz QSRJWUNVAXNIHE-UHFFFAOYSA-N -1 1 298.317 2.856 20 0 CFADMM CC[C@H](NC(=O)c1ccc(Cl)cc1[O-])[C@H](O)C(C)C ZINC000412713338 381413958 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381493032 /nfs/dbraw/zinc/49/30/32/381493032.db2.gz YLIZCOVHVSNGIJ-UHFFFAOYSA-N -1 1 288.322 2.634 20 0 CFADMM CC[C@]1(C(C)C)C[C@H]1N=c1nc([C@@H](C)OC)[n-]s1 ZINC000413387603 381540882 /nfs/dbraw/zinc/54/08/82/381540882.db2.gz VQEWOUAZPANWFB-GIPNMCIBSA-N -1 1 269.414 2.904 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@H](C)c2cnccn2)n1 ZINC000185157125 381549417 /nfs/dbraw/zinc/54/94/17/381549417.db2.gz YQAGCRSPWJMHHK-SECBINFHSA-N -1 1 276.365 2.778 20 0 CFADMM O=S(=O)(CCC1CC1)[N-]c1cc(C2CC2)ccn1 ZINC000290878974 381583673 /nfs/dbraw/zinc/58/36/73/381583673.db2.gz BRGQJABTMBSUJF-UHFFFAOYSA-N -1 1 266.366 2.501 20 0 CFADMM O=C(c1c([O-])cnc2ccccc21)N1CC[C@H](C2CC2)C1 ZINC000371375301 381605408 /nfs/dbraw/zinc/60/54/08/381605408.db2.gz NKWLGBBNLZHSIP-LBPRGKRZSA-N -1 1 282.343 2.813 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(-c2nc[nH]n2)c1 ZINC000348685105 381668123 /nfs/dbraw/zinc/66/81/23/381668123.db2.gz DCHBGWCABMAPRO-UHFFFAOYSA-N -1 1 298.277 2.569 20 0 CFADMM O=S(=O)([N-][C@@H]1CC=CCC1)c1c(F)cccc1Cl ZINC000185660868 381697566 /nfs/dbraw/zinc/69/75/66/381697566.db2.gz JJSZWRZATFQEAB-SECBINFHSA-N -1 1 289.759 2.866 20 0 CFADMM CCCCCOC1CN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000348849974 381738121 /nfs/dbraw/zinc/73/81/21/381738121.db2.gz CZKPASDRWFRJTA-UHFFFAOYSA-N -1 1 299.317 2.702 20 0 CFADMM C[C@H](CCCC(F)(F)F)NC(=O)c1cncc([O-])c1 ZINC000355307300 381741231 /nfs/dbraw/zinc/74/12/31/381741231.db2.gz JOYDUJUROUKIEE-MRVPVSSYSA-N -1 1 276.258 2.638 20 0 CFADMM CCC(=O)[C@H]1CCCCN1C(=O)c1ccc([O-])cc1F ZINC000185829748 381748017 /nfs/dbraw/zinc/74/80/17/381748017.db2.gz QNRPYUWCGMIEEJ-CYBMUJFWSA-N -1 1 279.311 2.505 20 0 CFADMM CN(C)Cc1cnc(/C=C/c2ncc(C(=O)[O-])s2)s1 ZINC000349105202 381823971 /nfs/dbraw/zinc/82/39/71/381823971.db2.gz GLWBLYYVLOWJTO-ONEGZZNKSA-N -1 1 295.389 2.530 20 0 CFADMM CC[C@@]1(C)C[C@@H]1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000343646346 381866271 /nfs/dbraw/zinc/86/62/71/381866271.db2.gz YVSMDSJZYQCDBX-OTYXRUKQSA-N -1 1 275.377 2.935 20 0 CFADMM CCc1cc(=O)[n-]c(SC[C@@H]2Cc3ccccc3O2)n1 ZINC000373045047 381916936 /nfs/dbraw/zinc/91/69/36/381916936.db2.gz RABRICWUKCBHKB-LBPRGKRZSA-N -1 1 288.372 2.840 20 0 CFADMM C[C@@H](C(=O)[N-]OC1CCCC1)c1ccc2c(c1)OCO2 ZINC000293237356 382042287 /nfs/dbraw/zinc/04/22/87/382042287.db2.gz QSUUVQAWUXJGSH-SNVBAGLBSA-N -1 1 277.320 2.509 20 0 CFADMM CCC(CC)c1cc(C(=O)[N-]c2n[nH]c(SC)n2)on1 ZINC000357214628 382061164 /nfs/dbraw/zinc/06/11/64/382061164.db2.gz AGVJTAFQHKUTET-UHFFFAOYSA-N -1 1 295.368 2.671 20 0 CFADMM COCCn1cc(NCc2cccc([O-])c2Cl)cn1 ZINC000293436944 382121371 /nfs/dbraw/zinc/12/13/71/382121371.db2.gz BQWHVHCFEADTOP-UHFFFAOYSA-N -1 1 281.743 2.501 20 0 CFADMM CC1(CNC(=O)c2nc3ccccc3c(=O)[n-]2)CCCCC1 ZINC000357263134 382082264 /nfs/dbraw/zinc/08/22/64/382082264.db2.gz NDQFYNFCJJLCHY-UHFFFAOYSA-N -1 1 299.374 2.623 20 0 CFADMM CC[C@@]1(CO)CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000187090602 382096479 /nfs/dbraw/zinc/09/64/79/382096479.db2.gz QBRZLTSCIOLBEA-OAHLLOKOSA-N -1 1 297.782 2.670 20 0 CFADMM CC(C)[C@H]1N(C(=O)C(=O)c2ccc([O-])cc2)CC12CCC2 ZINC000293615038 382197570 /nfs/dbraw/zinc/19/75/70/382197570.db2.gz BRZOMAJOHBQQJS-OAHLLOKOSA-N -1 1 287.359 2.612 20 0 CFADMM CC[C@H](C)CO[N-]C(=O)c1c[nH]c2ccccc2c1=O ZINC000293636376 382206849 /nfs/dbraw/zinc/20/68/49/382206849.db2.gz FUWBTJQTGLESGZ-JTQLQIEISA-N -1 1 274.320 2.648 20 0 CFADMM CC(=O)c1[n-]c(=N[C@@H](CO)CC2CCCCC2)sc1C ZINC000419013374 382216694 /nfs/dbraw/zinc/21/66/94/382216694.db2.gz HJHCFFLWLFNOOK-CYBMUJFWSA-N -1 1 296.436 2.819 20 0 CFADMM COC(=O)c1c[n-]c(SCCCOc2ccccc2)n1 ZINC000187593528 382220069 /nfs/dbraw/zinc/22/00/69/382220069.db2.gz BDQPRMBGBHKLJI-UHFFFAOYSA-N -1 1 292.360 2.758 20 0 CFADMM C[C@H]1CCC[C@@H]1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000187601232 382221756 /nfs/dbraw/zinc/22/17/56/382221756.db2.gz DBLVEIDEFKTXLP-NKWVEPMBSA-N -1 1 276.262 2.588 20 0 CFADMM COC(=O)c1c[n-]c(SCCc2ccc(C)cc2)n1 ZINC000187598550 382222473 /nfs/dbraw/zinc/22/24/73/382222473.db2.gz CNKYKMDHSGRBER-UHFFFAOYSA-N -1 1 276.361 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Cc1cc(S(=O)(=O)[N-]C2(CF)CCC2)sc1Cl ZINC000519768824 383234029 /nfs/dbraw/zinc/23/40/29/383234029.db2.gz QZSLNIXQBOXVKR-UHFFFAOYSA-N -1 1 297.804 2.880 20 0 CFADMM CC(C)c1c(Cc2ccccc2)[n-]n(-c2cnn(C)c2)c1=O ZINC000634624193 383282881 /nfs/dbraw/zinc/28/28/81/383282881.db2.gz ZXSLVTAGLRYRFN-INIZCTEOSA-N -1 1 296.374 2.638 20 0 CFADMM COc1ccc(NC(=O)c2c(F)ccc([O-])c2F)c(O)c1 ZINC000567546799 383286594 /nfs/dbraw/zinc/28/65/94/383286594.db2.gz BKVPHFKBOCMHHB-UHFFFAOYSA-N -1 1 295.241 2.637 20 0 CFADMM CCc1c(C(C)C)[n-]n(C[C@H]2CCSC2)c1=O ZINC000634628564 383286858 /nfs/dbraw/zinc/28/68/58/383286858.db2.gz AGZVZHUUZAXGNI-MNOVXSKESA-N -1 1 254.399 2.620 20 0 CFADMM CCc1c(C)[n-]n([C@@H](C)COc2ccccc2)c1=O ZINC000634628975 383287096 /nfs/dbraw/zinc/28/70/96/383287096.db2.gz JXWMZOGCRBRBFA-SMDDNHRTSA-N -1 1 260.337 2.698 20 0 CFADMM COC(=O)c1c[n-]c(SCc2c(C)nsc2C)n1 ZINC000521270339 383292039 /nfs/dbraw/zinc/29/20/39/383292039.db2.gz MTHJXGRIMGLNNP-UHFFFAOYSA-N -1 1 283.378 2.562 20 0 CFADMM CCCCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463734629 383305818 /nfs/dbraw/zinc/30/58/18/383305818.db2.gz HXKJQQZQMIREBB-UHFFFAOYSA-N -1 1 279.764 2.948 20 0 CFADMM Cc1nccnc1CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000634692405 383323448 /nfs/dbraw/zinc/32/34/48/383323448.db2.gz AKZNTIQCWRDXGJ-UHFFFAOYSA-N -1 1 299.374 2.652 20 0 CFADMM CC(C)CO[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000568066986 383354462 /nfs/dbraw/zinc/35/44/62/383354462.db2.gz IZOPTYFOYNXZAI-LSDHHAIUSA-N -1 1 277.364 2.559 20 0 CFADMM CO[C@H](C)c1nc(=NC[C@@H]2C[C@H]2C2CCC2)s[n-]1 ZINC000425288606 383360465 /nfs/dbraw/zinc/36/04/65/383360465.db2.gz YEOHMQQZGNEQRI-MIMYLULJSA-N -1 1 267.398 2.516 20 0 CFADMM Nc1cccc(CSc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000568770091 383435564 /nfs/dbraw/zinc/43/55/64/383435564.db2.gz OZWAYTSNVKCHLO-UHFFFAOYSA-N -1 1 273.361 2.934 20 0 CFADMM CC(=O)c1[n-]c(=N[C@@H](C)c2ccncc2F)sc1C ZINC000450508937 383442767 /nfs/dbraw/zinc/44/27/67/383442767.db2.gz GHXIQJXJTRZJCQ-ZETCQYMHSA-N -1 1 279.340 2.783 20 0 CFADMM CN(CCOc1ccccc1F)Cc1ccoc1C(=O)[O-] ZINC000569128147 383471477 /nfs/dbraw/zinc/47/14/77/383471477.db2.gz BIJPUQUIXBBKHQ-UHFFFAOYSA-N -1 1 293.294 2.628 20 0 CFADMM CC[C@@H](Sc1ncc(C)c(=O)[n-]1)C(=O)OC(C)(C)C ZINC000569867056 383545660 /nfs/dbraw/zinc/54/56/60/383545660.db2.gz CGMHPQUMWBGLHC-SECBINFHSA-N -1 1 284.381 2.703 20 0 CFADMM COc1cc(C(=O)NCCCCF)cc(Cl)c1[O-] ZINC000428483482 383484237 /nfs/dbraw/zinc/48/42/37/383484237.db2.gz NFMOSNICTPTMRN-UHFFFAOYSA-N -1 1 275.707 2.534 20 0 CFADMM C(N=c1nc(C2CCOCC2)[n-]o1)[C@H]1CC2CCC1CC2 ZINC000569357290 383492886 /nfs/dbraw/zinc/49/28/86/383492886.db2.gz FBFUWPZTDQNUOD-ORHYLEIMSA-N -1 1 291.395 2.624 20 0 CFADMM Cn1nc(C(=O)[O-])cc1CN[C@]1(c2ccccc2)CC1(C)C ZINC000635315365 383531883 /nfs/dbraw/zinc/53/18/83/383531883.db2.gz VXFFDXUTZUKUCA-KRWDZBQOSA-N -1 1 299.374 2.533 20 0 CFADMM C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@]1(C)C(=O)[O-] ZINC000569818878 383540885 /nfs/dbraw/zinc/54/08/85/383540885.db2.gz ZOTQYNKACMGEQO-BMIGLBTASA-N -1 1 296.436 2.983 20 0 CFADMM CC[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000341049913 383544072 /nfs/dbraw/zinc/54/40/72/383544072.db2.gz WEJJYUWFWVJFJW-XCBNKYQSSA-N -1 1 277.748 2.556 20 0 CFADMM CC[C@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000341049911 383544440 /nfs/dbraw/zinc/54/44/40/383544440.db2.gz WEJJYUWFWVJFJW-OIBJUYFYSA-N -1 1 277.748 2.556 20 0 CFADMM CC(C)C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000450974995 383574621 /nfs/dbraw/zinc/57/46/21/383574621.db2.gz WRSNXLFWPQDZCO-UHFFFAOYSA-N -1 1 271.313 2.506 20 0 CFADMM CCCCc1cc([N-]S(=O)(=O)c2cc(C)cs2)[nH]n1 ZINC000450980074 383577341 /nfs/dbraw/zinc/57/73/41/383577341.db2.gz LFGMCUUIDIUXRH-UHFFFAOYSA-N -1 1 299.421 2.923 20 0 CFADMM COCc1cccc(CSc2ncc(C)c(=O)[n-]2)c1 ZINC000569942446 383553857 /nfs/dbraw/zinc/55/38/57/383553857.db2.gz SJMRMBRWBWFYAJ-UHFFFAOYSA-N -1 1 276.361 2.929 20 0 CFADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(F)c(F)c(F)c2)C1 ZINC000263012841 383648433 /nfs/dbraw/zinc/64/84/33/383648433.db2.gz CHJLALCDUAVBCN-PSASIEDQSA-N -1 1 287.281 2.647 20 0 CFADMM CCc1nc(S[C@H]2CCC[C@@H]2OC)[n-]c(=O)c1C ZINC000570584072 383617571 /nfs/dbraw/zinc/61/75/71/383617571.db2.gz RYYBRTTZNKVEGD-QWRGUYRKSA-N -1 1 268.382 2.713 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c1 ZINC000451452815 383618479 /nfs/dbraw/zinc/61/84/79/383618479.db2.gz FDPXLFHGXFBNLS-SCVCMEIPSA-N -1 1 289.331 2.554 20 0 CFADMM CCN(Cc1nc(C(=O)[O-])co1)[C@@H](C)Cc1ccsc1 ZINC000570638892 383621236 /nfs/dbraw/zinc/62/12/36/383621236.db2.gz KGYXOGIYCDETHO-JTQLQIEISA-N -1 1 294.376 2.887 20 0 CFADMM CCCCN(CCOC)C(=O)c1ccc(Cl)cc1[O-] ZINC000264586939 383758468 /nfs/dbraw/zinc/75/84/68/383758468.db2.gz NUDNKMZDRJLUJO-UHFFFAOYSA-N -1 1 285.771 2.934 20 0 CFADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1csc(C2CC2)n1 ZINC000572242361 383764783 /nfs/dbraw/zinc/76/47/83/383764783.db2.gz GQKUVMGEWYEIAT-ONGXEEELSA-N -1 1 280.393 2.706 20 0 CFADMM CCN(C[C@H](C)OC)C(=O)N=c1[n-]sc2ccccc21 ZINC000640340063 383765419 /nfs/dbraw/zinc/76/54/19/383765419.db2.gz NDTUQHXFGJGXIH-JTQLQIEISA-N -1 1 293.392 2.607 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)N1CC(C2CC2)C1 ZINC000640338801 383765546 /nfs/dbraw/zinc/76/55/46/383765546.db2.gz HMQMEVJFRBUULE-UHFFFAOYSA-N -1 1 273.361 2.592 20 0 CFADMM C[C@H]1CC[C@H]1NC(=O)N=c1[n-]sc2ccccc21 ZINC000640340030 383765560 /nfs/dbraw/zinc/76/55/60/383765560.db2.gz MSHFQDZALWWTEF-WCBMZHEXSA-N -1 1 261.350 2.638 20 0 CFADMM C[C@H]1CC[C@@H]1NC(=O)N=c1[n-]sc2ccccc21 ZINC000640340032 383765944 /nfs/dbraw/zinc/76/59/44/383765944.db2.gz MSHFQDZALWWTEF-WPRPVWTQSA-N -1 1 261.350 2.638 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)N1CC[C@@H]1C(F)F ZINC000640340220 383766851 /nfs/dbraw/zinc/76/68/51/383766851.db2.gz PJBREZLJZGNQAJ-MRVPVSSYSA-N -1 1 283.303 2.590 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)NC1(C2CC2)CC1 ZINC000640343680 383766997 /nfs/dbraw/zinc/76/69/97/383766997.db2.gz XFMIOZBABKCOAB-UHFFFAOYSA-N -1 1 273.361 2.782 20 0 CFADMM O=C(c1cncc([O-])c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000264740310 383777693 /nfs/dbraw/zinc/77/76/93/383777693.db2.gz GOBDIXSSCYGSBM-GFCCVEGCSA-N -1 1 286.306 2.556 20 0 CFADMM C[C@H](CN=c1nc(C(F)(F)F)[n-]s1)CC(F)F ZINC000645307397 383667953 /nfs/dbraw/zinc/66/79/53/383667953.db2.gz PSCJRPSWPYCCFR-BYPYZUCNSA-N -1 1 275.246 2.682 20 0 CFADMM CN1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)Cc2ccccc21 ZINC000263470256 383669131 /nfs/dbraw/zinc/66/91/31/383669131.db2.gz LEWRIVBUDYZVSC-UHFFFAOYSA-N -1 1 296.370 2.837 20 0 CFADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000528900606 383672823 /nfs/dbraw/zinc/67/28/23/383672823.db2.gz IEXQQQZEABVPGP-JXVAYASWSA-N -1 1 267.300 2.529 20 0 CFADMM COc1cc(NC(=O)c2ccccc2[O-])c(C)c(OC)c1 ZINC000436498522 383823913 /nfs/dbraw/zinc/82/39/13/383823913.db2.gz SNVFWGPOSXGTSC-UHFFFAOYSA-N -1 1 287.315 2.970 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C)c2ccccc2)c1 ZINC000436503151 383824963 /nfs/dbraw/zinc/82/49/63/383824963.db2.gz GSCNNFUQAPMQLP-LLVKDONJSA-N -1 1 299.326 2.921 20 0 CFADMM C[C@@]1(C2CCCCC2)CCN1C(=O)c1cncc([O-])c1 ZINC000636385300 383786595 /nfs/dbraw/zinc/78/65/95/383786595.db2.gz FMJZSNCJHCYBJW-INIZCTEOSA-N -1 1 274.364 2.972 20 0 CFADMM C[C@]1(C2CCCCC2)CCN1C(=O)c1ncccc1[O-] ZINC000636385987 383787738 /nfs/dbraw/zinc/78/77/38/383787738.db2.gz UOMFHAMIIZFDIK-MRXNPFEDSA-N -1 1 274.364 2.972 20 0 CFADMM CCc1cc(=O)[n-]c(S[C@H](CC)C(=O)OC(C)(C)C)n1 ZINC000436208760 383788139 /nfs/dbraw/zinc/78/81/39/383788139.db2.gz JVWXUFLUBFEDDN-SNVBAGLBSA-N -1 1 298.408 2.957 20 0 CFADMM CCc1cc(=O)[n-]c(SCC(=O)c2cc(C)[nH]c2C)n1 ZINC000436209081 383788197 /nfs/dbraw/zinc/78/81/97/383788197.db2.gz LFOMSLWBZRZDRV-UHFFFAOYSA-N -1 1 291.376 2.665 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@H]2CCC[C@@H]2C)c1 ZINC000436513395 383826187 /nfs/dbraw/zinc/82/61/87/383826187.db2.gz NDDRVPAJLYHDAF-WDEREUQCSA-N -1 1 291.347 2.944 20 0 CFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1OC2CCC1CC2 ZINC000636403476 383797161 /nfs/dbraw/zinc/79/71/61/383797161.db2.gz ZEGGIHFYZMBCEB-UHFFFAOYSA-N -1 1 281.739 2.673 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCC2(C)C)c1 ZINC000436507243 383826707 /nfs/dbraw/zinc/82/67/07/383826707.db2.gz VULOMWDWJFXRFE-LLVKDONJSA-N -1 1 291.347 2.944 20 0 CFADMM CCOc1cccc(CNC(=O)c2cc(F)ccc2[O-])c1 ZINC000436560588 383836608 /nfs/dbraw/zinc/83/66/08/383836608.db2.gz CHISYLIOLNGGKR-UHFFFAOYSA-N -1 1 289.306 2.860 20 0 CFADMM CCCCCOC1CN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436576761 383841255 /nfs/dbraw/zinc/84/12/55/383841255.db2.gz RWUYDRGYLYYSHZ-UHFFFAOYSA-N -1 1 281.327 2.563 20 0 CFADMM CO[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436589640 383847250 /nfs/dbraw/zinc/84/72/50/383847250.db2.gz KVGMZPVPLMWZES-WCQYABFASA-N -1 1 283.755 2.733 20 0 CFADMM COCCN(C(=O)c1cc(F)ccc1[O-])[C@@H]1CC[C@H](C)C1 ZINC000436595634 383849491 /nfs/dbraw/zinc/84/94/91/383849491.db2.gz NBWZJZVNHWRYQR-WCQYABFASA-N -1 1 295.354 2.809 20 0 CFADMM CSc1nc(CNC(=O)C(C)(C)C(C)(C)C)cc(=O)[n-]1 ZINC000640655373 383880332 /nfs/dbraw/zinc/88/03/32/383880332.db2.gz LQFJHOACAQNWGQ-UHFFFAOYSA-N -1 1 297.424 2.593 20 0 CFADMM O=C(NCC1(C(F)(F)F)CCC1)c1c([O-])cccc1F ZINC000436685905 383873531 /nfs/dbraw/zinc/87/35/31/383873531.db2.gz MWXNOTVECYCIEN-UHFFFAOYSA-N -1 1 291.244 2.994 20 0 CFADMM O=C(NC1(c2cccc(F)c2)CC1)C(=O)c1ccc([O-])cc1 ZINC000436700777 383875568 /nfs/dbraw/zinc/87/55/68/383875568.db2.gz XHXWAZZUYUPGJO-UHFFFAOYSA-N -1 1 299.301 2.520 20 0 CFADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@@H]3CC[C@@H]3C)c12 ZINC000573124213 383876191 /nfs/dbraw/zinc/87/61/91/383876191.db2.gz VUDUOZZKWFJHGI-IMTBSYHQSA-N -1 1 291.376 2.639 20 0 CFADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@@H]3CC[C@H]3C)c12 ZINC000573124212 383876718 /nfs/dbraw/zinc/87/67/18/383876718.db2.gz VUDUOZZKWFJHGI-HZGVNTEJSA-N -1 1 291.376 2.639 20 0 CFADMM CCN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H](C)c1cccnc1 ZINC000436699976 383876626 /nfs/dbraw/zinc/87/66/26/383876626.db2.gz SJEURBIVNNBZHQ-LBPRGKRZSA-N -1 1 298.342 2.580 20 0 CFADMM C[C@@H]1CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436714958 383877798 /nfs/dbraw/zinc/87/77/98/383877798.db2.gz VQNDCKCDUCZCOV-XCBNKYQSSA-N -1 1 273.254 2.939 20 0 CFADMM O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000436530124 383829147 /nfs/dbraw/zinc/82/91/47/383829147.db2.gz DAYLRPVONBOZIM-OCCSQVGLSA-N -1 1 289.281 2.956 20 0 CFADMM CC(C)c1ccc(C(=O)Nc2ccnc3ccnn32)c([O-])c1 ZINC000436548537 383833908 /nfs/dbraw/zinc/83/39/08/383833908.db2.gz CNNIMXKGBULWPX-UHFFFAOYSA-N -1 1 296.330 2.811 20 0 CFADMM CCSCC[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000281011329 195067930 /nfs/dbraw/zinc/06/79/30/195067930.db2.gz SGINBEAKNAQQCV-QMMMGPOBSA-N -1 1 289.347 2.932 20 0 CFADMM O=C(NCC1Cc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000436549348 383835005 /nfs/dbraw/zinc/83/50/05/383835005.db2.gz PDHLXMBBZGOBEY-UHFFFAOYSA-N -1 1 285.318 2.676 20 0 CFADMM COc1ccc(CNC(=O)c2cc(F)ccc2[O-])c(C)c1 ZINC000531758297 383917453 /nfs/dbraw/zinc/91/74/53/383917453.db2.gz LWMBOVZTUFDSMM-UHFFFAOYSA-N -1 1 289.306 2.778 20 0 CFADMM O=C([N-][C@@H](Cc1ccccc1)C1CC1)C(F)(F)F ZINC000265491146 383930666 /nfs/dbraw/zinc/93/06/66/383930666.db2.gz CDVXVWFNELNULU-NSHDSACASA-N -1 1 257.255 2.686 20 0 CFADMM C[C@]1(CNC(=O)c2ccc(Cl)cc2[O-])CCCC[C@@H]1O ZINC000436728125 383882492 /nfs/dbraw/zinc/88/24/92/383882492.db2.gz ICSZSSWLPYEMEU-DZGCQCFKSA-N -1 1 297.782 2.717 20 0 CFADMM CC[C@H](C[C@H](C)CO)NC(=O)c1cc(Cl)ccc1[O-] ZINC000436734089 383884682 /nfs/dbraw/zinc/88/46/82/383884682.db2.gz ZGMXPUBLVFLDAT-GXSJLCMTSA-N -1 1 285.771 2.573 20 0 CFADMM O=C(Nc1cccc2c1OCO2)c1cc(F)ccc1[O-] ZINC000436746180 383887318 /nfs/dbraw/zinc/88/73/18/383887318.db2.gz GESXHENTTLDBOJ-UHFFFAOYSA-N -1 1 275.235 2.512 20 0 CFADMM O=C(N[C@H]1CC[C@H](F)C1)c1cc(Cl)ccc1[O-] ZINC000436744268 383888452 /nfs/dbraw/zinc/88/84/52/383888452.db2.gz KWVCNUZTLRCVJG-IUCAKERBSA-N -1 1 257.692 2.666 20 0 CFADMM O=C(Nc1ccccc1-n1ccnc1)c1cc(F)ccc1[O-] ZINC000436759704 383889501 /nfs/dbraw/zinc/88/95/01/383889501.db2.gz DWWZKQJXLQPXDN-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM Cc1ccc(CNC(=O)c2cc(F)ccc2[O-])cc1F ZINC000436755616 383889583 /nfs/dbraw/zinc/88/95/83/383889583.db2.gz NIKGJTZWOAYONC-UHFFFAOYSA-N -1 1 277.270 2.909 20 0 CFADMM CCCCCNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436749333 383891198 /nfs/dbraw/zinc/89/11/98/383891198.db2.gz JRNRBYFEBZZAHM-UHFFFAOYSA-N -1 1 271.744 2.974 20 0 CFADMM O=C(C(=O)N(Cc1ccccc1)C1CC1)c1ccc([O-])cc1 ZINC000436766314 383893395 /nfs/dbraw/zinc/89/33/95/383893395.db2.gz SAZCYYGFDMLHDV-UHFFFAOYSA-N -1 1 295.338 2.766 20 0 CFADMM Cc1nnc([C@H](C)NC(=O)c2cc3ccccc3cc2[O-])o1 ZINC000531592981 383894180 /nfs/dbraw/zinc/89/41/80/383894180.db2.gz HPTJXNSGJXKUKH-VIFPVBQESA-N -1 1 297.314 2.728 20 0 CFADMM CN(CC[C@H]1CCCO1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436790533 383894929 /nfs/dbraw/zinc/89/49/29/383894929.db2.gz GRDXZAXEVZTNLB-LLVKDONJSA-N -1 1 283.755 2.687 20 0 CFADMM CC(C)OC[C@@H]1CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000646163897 383905106 /nfs/dbraw/zinc/90/51/06/383905106.db2.gz IWCCJBHWSATYQO-ZDUSSCGKSA-N -1 1 299.798 2.671 20 0 CFADMM CC[C@H](CC(=O)Nc1c(C)[n-][nH]c1=O)c1ccccc1 ZINC000646410434 383988569 /nfs/dbraw/zinc/98/85/69/383988569.db2.gz HURRWVKMSHONJQ-LLVKDONJSA-N -1 1 273.336 2.946 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000646410837 383988673 /nfs/dbraw/zinc/98/86/73/383988673.db2.gz ZQBPCHWPZZGNQR-WCBMZHEXSA-N -1 1 251.330 2.579 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000646413098 383990808 /nfs/dbraw/zinc/99/08/08/383990808.db2.gz OHUXEUCBPBCVIA-MRVPVSSYSA-N -1 1 277.299 2.695 20 0 CFADMM CCC[C@H](C(=O)Nc1c(C)[n-][nH]c1=O)c1ccccc1 ZINC000646412802 383990881 /nfs/dbraw/zinc/99/08/81/383990881.db2.gz ADNVPSJNWUCUSK-LBPRGKRZSA-N -1 1 273.336 2.946 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H](C)C1CCCCC1 ZINC000646412722 383991071 /nfs/dbraw/zinc/99/10/71/383991071.db2.gz LEPISKYEGDCNEJ-SECBINFHSA-N -1 1 265.357 2.969 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1ccc2ccccc2c1 ZINC000646411758 383991087 /nfs/dbraw/zinc/99/10/87/383991087.db2.gz QMLSDSFTUNMBDQ-UHFFFAOYSA-N -1 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CFADMM COc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000048652244 393592312 /nfs/dbraw/zinc/59/23/12/393592312.db2.gz JBGKLDRLZYWDSA-UHFFFAOYSA-N -1 1 295.335 2.944 20 0 CFADMM O=c1nc(C[N@H+]2CC[C@@H](C3CC3)C2)[n-]c2ccsc21 ZINC000334317219 393593906 /nfs/dbraw/zinc/59/39/06/393593906.db2.gz UNNFSTPQEDJJQJ-SNVBAGLBSA-N -1 1 275.377 2.629 20 0 CFADMM O=c1nc(CN2CC[C@@H](C3CC3)C2)[n-]c2ccsc21 ZINC000334317219 393593912 /nfs/dbraw/zinc/59/39/12/393593912.db2.gz UNNFSTPQEDJJQJ-SNVBAGLBSA-N -1 1 275.377 2.629 20 0 CFADMM Cc1ccccc1CN(C)Cc1occc1C(=O)[O-] ZINC000048872504 393606857 /nfs/dbraw/zinc/60/68/57/393606857.db2.gz HUZWFXWFNURPBQ-UHFFFAOYSA-N -1 1 259.305 2.918 20 0 CFADMM COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cn1 ZINC000193180414 393644358 /nfs/dbraw/zinc/64/43/58/393644358.db2.gz YORDVVDTCFOYES-UHFFFAOYSA-N -1 1 298.302 2.634 20 0 CFADMM C[C@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[O-])c2nccn21 ZINC000335174605 393650161 /nfs/dbraw/zinc/65/01/61/393650161.db2.gz KNZJGCDSWAJUOG-KWQFWETISA-N -1 1 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/nfs/dbraw/zinc/19/00/08/228190008.db2.gz FBDHPHNQXDKCBK-UHFFFAOYSA-N -1 1 276.317 2.684 20 0 CFADMM O=C(/C=C/c1ccc(Cl)s1)[N-]O[C@@H]1CCCCO1 ZINC000195459581 270253844 /nfs/dbraw/zinc/25/38/44/270253844.db2.gz OAXHHNZTZSXTSC-HOSRBBHYSA-N -1 1 287.768 2.989 20 0 CFADMM Cn1ccc2ccc(NC(=O)c3ccc(O)cc3[O-])cc21 ZINC000172875139 261155508 /nfs/dbraw/zinc/15/55/08/261155508.db2.gz NLHCPDWQWGDXTJ-UHFFFAOYSA-N -1 1 282.299 2.842 20 0 CFADMM COc1ccc(C(=O)Nc2ccc(OC)c(F)c2)c([O-])c1 ZINC000037290948 270225555 /nfs/dbraw/zinc/22/55/55/270225555.db2.gz NTZXWXFYFWOTCX-UHFFFAOYSA-N -1 1 291.278 2.801 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@H]1CCO ZINC000192702481 270233728 /nfs/dbraw/zinc/23/37/28/270233728.db2.gz ATZCCEYCEYARBS-HNNXBMFYSA-N -1 1 299.370 2.923 20 0 CFADMM Cc1cnc(CNC(=O)c2ccc3ccccc3c2[O-])o1 ZINC000225073432 270256086 /nfs/dbraw/zinc/25/60/86/270256086.db2.gz OVBQCXYZVMSHCF-UHFFFAOYSA-N -1 1 282.299 2.772 20 0 CFADMM CC1(C)C[C@@H]1CNC(=O)c1ccc(Br)cc1[O-] ZINC000226260112 270256433 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CCCNC(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000071982148 280488048 /nfs/dbraw/zinc/48/80/48/280488048.db2.gz YKFDKIGYYLMFGY-UHFFFAOYSA-N -1 1 298.342 2.784 20 0 CFADMM O=C(N[C@@H]1CC=CCC1)c1ccc(Cl)cc1[O-] ZINC000080110447 280537604 /nfs/dbraw/zinc/53/76/04/280537604.db2.gz WSYLLKIHUUDPEQ-SNVBAGLBSA-N -1 1 251.713 2.884 20 0 CFADMM CC(C)(NC(=O)c1cc(F)ccc1[O-])c1nccs1 ZINC000094153057 280577849 /nfs/dbraw/zinc/57/78/49/280577849.db2.gz CLJBEYQTJKKCFP-UHFFFAOYSA-N -1 1 280.324 2.653 20 0 CFADMM COCc1ccccc1CNC(=O)c1c([O-])cccc1F ZINC000119337170 280607876 /nfs/dbraw/zinc/60/78/76/280607876.db2.gz DHUQCLZKIKELSB-UHFFFAOYSA-N -1 1 289.306 2.608 20 0 CFADMM C[C@H](CCc1ccco1)NC(=O)c1cc(F)ccc1[O-] ZINC000124045341 280637057 /nfs/dbraw/zinc/63/70/57/280637057.db2.gz MODZGVPTFODRMY-SNVBAGLBSA-N -1 1 277.295 2.875 20 0 CFADMM C[C@@H]1CCCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000128669888 280681416 /nfs/dbraw/zinc/68/14/16/280681416.db2.gz SCBQQMCCXPPNKO-SNVBAGLBSA-N -1 1 251.301 2.936 20 0 CFADMM Cc1cc(NC(=O)c2cc(F)ccc2[O-])sn1 ZINC000130080452 280698689 /nfs/dbraw/zinc/69/86/89/280698689.db2.gz IIOZPYBHOZETTL-UHFFFAOYSA-N -1 1 252.270 2.549 20 0 CFADMM CC[C@@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000132812200 280735895 /nfs/dbraw/zinc/73/58/95/280735895.db2.gz YRACNKNETHASQP-SSDOTTSWSA-N -1 1 272.142 2.683 20 0 CFADMM O=C(NC[C@H]1CCCCS1)c1c([O-])cccc1F ZINC000228866802 280936707 /nfs/dbraw/zinc/93/67/07/280936707.db2.gz CGGOAADNMRWDIS-SECBINFHSA-N -1 1 269.341 2.547 20 0 CFADMM O=C(NCc1ccc(F)cc1F)c1c([O-])cccc1F ZINC000228842265 280937100 /nfs/dbraw/zinc/93/71/00/280937100.db2.gz WRZXJVOEOILKBB-UHFFFAOYSA-N -1 1 281.233 2.740 20 0 CFADMM C[C@@H](CN(C)Cc1csc(C2CCCC2)n1)C(=O)[O-] ZINC000514944342 281288948 /nfs/dbraw/zinc/28/89/48/281288948.db2.gz PMQQLMPPTDKZFF-JTQLQIEISA-N -1 1 282.409 2.953 20 0 CFADMM O=C(N=c1ccc([O-])n[nH]1)c1ccc(C2CCCC2)cc1 ZINC000562292449 282071934 /nfs/dbraw/zinc/07/19/34/282071934.db2.gz ZRDBBKZRNLIHAA-UHFFFAOYSA-N -1 1 283.331 2.514 20 0 CFADMM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1c([O-])cccc1F ZINC000403318143 290026654 /nfs/dbraw/zinc/02/66/54/290026654.db2.gz ANTWSDQGDJKRCK-OUAUKWLOSA-N -1 1 263.312 2.697 20 0 CFADMM CCc1nc(SCc2cc(OC)ccn2)[n-]c(=O)c1C ZINC000563551491 290160143 /nfs/dbraw/zinc/16/01/43/290160143.db2.gz ZRJZUGQGIQZJFY-UHFFFAOYSA-N -1 1 291.376 2.749 20 0 CFADMM Cc1nnc([C@H](C)Sc2ncc(C)c(=O)[n-]2)s1 ZINC000563633670 290165679 /nfs/dbraw/zinc/16/56/79/290165679.db2.gz AUYJYCMXFCUEMG-LURJTMIESA-N -1 1 268.367 2.504 20 0 CFADMM CCc1ccc(C(=O)Nc2nc(C3CC3)c[nH]2)c([O-])c1 ZINC000563980532 290188401 /nfs/dbraw/zinc/18/84/01/290188401.db2.gz PRRPXDYRKBYMRX-UHFFFAOYSA-N -1 1 271.320 2.807 20 0 CFADMM Cc1oc(-c2ccccc2)nc1CN(C)[C@H](C)CC(=O)[O-] ZINC000564100326 290192984 /nfs/dbraw/zinc/19/29/84/290192984.db2.gz KBLWDYOFFMXTGN-LLVKDONJSA-N -1 1 288.347 2.945 20 0 CFADMM CC1(C2CC2)CCN(Cc2nc(C(=O)[O-])cs2)CC1 ZINC000564742391 290229634 /nfs/dbraw/zinc/22/96/34/290229634.db2.gz YSRATNGMKUBWCY-UHFFFAOYSA-N -1 1 280.393 2.853 20 0 CFADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc2ccoc2c1)C1CC1 ZINC000564969678 290253715 /nfs/dbraw/zinc/25/37/15/290253715.db2.gz BFOJHILJJXQITL-AWEZNQCLSA-N -1 1 295.360 2.600 20 0 CFADMM Cc1ccccc1[C@H](C(=O)[O-])N1CC[C@H](OCC(C)C)C1 ZINC000565108160 290269627 /nfs/dbraw/zinc/26/96/27/290269627.db2.gz ZRNBSQHONWUPNO-GOEBONIOSA-N -1 1 291.391 2.868 20 0 CFADMM O=C([O-])CCc1cccc(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000566225453 290360472 /nfs/dbraw/zinc/36/04/72/290360472.db2.gz NWXGQFFDNKZVME-UHFFFAOYSA-N -1 1 299.330 2.557 20 0 CFADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1ncc(-c2cccs2)o1 ZINC000566367231 290376992 /nfs/dbraw/zinc/37/69/92/290376992.db2.gz DBOLDBNDKCFPHF-UWVGGRQHSA-N -1 1 292.360 2.698 20 0 CFADMM CO[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)C[C@@H]1C ZINC000566510172 290397310 /nfs/dbraw/zinc/39/73/10/290397310.db2.gz KWBMTJAEXZRXAE-HZMBPMFUSA-N -1 1 297.782 2.895 20 0 CFADMM CCc1nc(SCC(=O)CC2CC2)[n-]c(=O)c1C ZINC000567292586 290453768 /nfs/dbraw/zinc/45/37/68/290453768.db2.gz 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294.282 2.777 20 0 CFADMM COc1cc(-c2ccc([O-])c(F)c2F)cnc1F ZINC001243343347 782149069 /nfs/dbraw/zinc/14/90/69/782149069.db2.gz WNTDVJIHYNDCPW-UHFFFAOYSA-N -1 1 255.195 2.880 20 0 CFADMM CCn1ccc(-c2ccc([O-])c(F)c2F)cc1=O ZINC001243343900 782149140 /nfs/dbraw/zinc/14/91/40/782149140.db2.gz SPAHGDZIJJAPES-UHFFFAOYSA-N -1 1 251.232 2.519 20 0 CFADMM CSCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000735979451 574346564 /nfs/dbraw/zinc/34/65/64/574346564.db2.gz FKVMDFTXXHJWLR-UHFFFAOYSA-N -1 1 270.301 2.656 20 0 CFADMM CCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340722189 521351319 /nfs/dbraw/zinc/35/13/19/521351319.db2.gz SNLCCXFYEBCFEC-UHFFFAOYSA-N -1 1 279.764 2.946 20 0 CFADMM CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1cccc([O-])c1Cl ZINC000328443665 522078346 /nfs/dbraw/zinc/07/83/46/522078346.db2.gz HUVXCHJWLGAUNV-SECBINFHSA-N -1 1 271.744 2.731 20 0 CFADMM CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cccc([O-])c1Cl ZINC000328443665 522078356 /nfs/dbraw/zinc/07/83/56/522078356.db2.gz HUVXCHJWLGAUNV-SECBINFHSA-N -1 1 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297.782 2.819 20 0 CFADMM CCc1cc(=O)[n-]c(SCCC(C)(C)OC)n1 ZINC000340709095 523834750 /nfs/dbraw/zinc/83/47/50/523834750.db2.gz IEXLWXDIDADDEP-UHFFFAOYSA-N -1 1 256.371 2.652 20 0 CFADMM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cncc([O-])c1 ZINC000339954403 524122477 /nfs/dbraw/zinc/12/24/77/524122477.db2.gz DUBYBNDSZGHJGS-VXGBXAGGSA-N -1 1 262.353 2.733 20 0 CFADMM Cc1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000336318772 524580219 /nfs/dbraw/zinc/58/02/19/524580219.db2.gz FONXTGXHNUWSGX-UHFFFAOYSA-N -1 1 255.273 2.522 20 0 CFADMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2sccc2F)[C@H](C)C1 ZINC000338919145 524616816 /nfs/dbraw/zinc/61/68/16/524616816.db2.gz OGGVHGQZNUWNRS-FXPVBKGRSA-N -1 1 291.413 2.990 20 0 CFADMM Cc1cc(CN(C)C(=O)c2cncc([O-])c2)ccc1F ZINC000336384603 524655153 /nfs/dbraw/zinc/65/51/53/524655153.db2.gz IZMCDAVAXWLAFW-UHFFFAOYSA-N -1 1 274.295 2.507 20 0 CFADMM COc1ccc(OCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340331659 524935440 /nfs/dbraw/zinc/93/54/40/524935440.db2.gz VFYWRQKEGJJDPD-UHFFFAOYSA-N -1 1 291.278 2.557 20 0 CFADMM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2F)sc1Cl ZINC000339122353 525416542 /nfs/dbraw/zinc/41/65/42/525416542.db2.gz LFSSCVCGDSRATC-HTQZYQBOSA-N -1 1 297.804 2.879 20 0 CFADMM Cc1cc([C@H](C)NC(=O)c2ncccc2[O-])c(C)s1 ZINC000049512076 525515666 /nfs/dbraw/zinc/51/56/66/525515666.db2.gz XSWSORNTZYIFOJ-VIFPVBQESA-N -1 1 276.361 2.957 20 0 CFADMM Cc1cc[nH]c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000336153109 525708186 /nfs/dbraw/zinc/70/81/86/525708186.db2.gz IAKUVFUZAHJYPN-UHFFFAOYSA-N -1 1 250.685 2.934 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)[C@H]3C[C@H]3C(F)F)[nH][n-]2)s1 ZINC000338397196 525717320 /nfs/dbraw/zinc/71/73/20/525717320.db2.gz SLCSGMCBHGGDDH-SFYZADRCSA-N -1 1 297.330 2.708 20 0 CFADMM C[C@@]1(C(=O)[O-])CCN(Cc2cc(Cl)ccc2F)C1 ZINC000165673151 525820244 /nfs/dbraw/zinc/82/02/44/525820244.db2.gz HHKHFPHFVZEPAP-CYBMUJFWSA-N -1 1 271.719 2.776 20 0 CFADMM Cc1cnc(C(=O)N(C)[C@@H](C)c2cccs2)c([O-])c1 ZINC000336344412 525966020 /nfs/dbraw/zinc/96/60/20/525966020.db2.gz XOCHKTKQCMXSCG-JTQLQIEISA-N -1 1 276.361 2.990 20 0 CFADMM Cc1cnc(C(=O)N2CC(C)(CC(F)(F)F)C2)c([O-])c1 ZINC000335168112 525967584 /nfs/dbraw/zinc/96/75/84/525967584.db2.gz FGLAGJICCPLGFJ-UHFFFAOYSA-N -1 1 288.269 2.510 20 0 CFADMM Cc1cnc(NC(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000336456814 526084650 /nfs/dbraw/zinc/08/46/50/526084650.db2.gz QPFIYJOMLMFBPL-UHFFFAOYSA-N -1 1 267.672 2.986 20 0 CFADMM O=C(NCCc1ccsc1)c1c(F)ccc([O-])c1F ZINC000339354450 526449476 /nfs/dbraw/zinc/44/94/76/526449476.db2.gz GRARZXLVQQXXBY-UHFFFAOYSA-N -1 1 283.299 2.704 20 0 CFADMM Cc1noc(C(C)(C)NCc2cccc([O-])c2Cl)n1 ZINC000339393802 526462542 /nfs/dbraw/zinc/46/25/42/526462542.db2.gz HIRYIOZIOXOJKQ-UHFFFAOYSA-N -1 1 281.743 2.762 20 0 CFADMM Cc1noc(C)c1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000060063998 526513542 /nfs/dbraw/zinc/51/35/42/526513542.db2.gz CPXVQOXGEOJEBP-UHFFFAOYSA-N -1 1 280.711 2.580 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCCC[C@@H]1C(F)F ZINC000336148826 526703451 /nfs/dbraw/zinc/70/34/51/526703451.db2.gz STHLQLRQLCOBIP-LLVKDONJSA-N -1 1 273.254 2.791 20 0 CFADMM O=C(NO[C@@H]1CCCCO1)c1cc2ccccc2cc1[O-] ZINC000060333147 526852795 /nfs/dbraw/zinc/85/27/95/526852795.db2.gz QKBOHUCYCACJGI-OAHLLOKOSA-N -1 1 287.315 2.733 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000339936166 526881992 /nfs/dbraw/zinc/88/19/92/526881992.db2.gz MVIYAMOOFJGRIW-HNNXBMFYSA-N -1 1 296.370 2.882 20 0 CFADMM O=C(c1cncc([O-])c1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000335064036 526882510 /nfs/dbraw/zinc/88/25/10/526882510.db2.gz RMJNZYALQCTIKR-AWEZNQCLSA-N -1 1 284.315 2.748 20 0 CFADMM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc([O-])cc1F ZINC000226269877 526973762 /nfs/dbraw/zinc/97/37/62/526973762.db2.gz JVYJXTSRZKAUHE-DZGCQCFKSA-N -1 1 271.291 2.817 20 0 CFADMM CC(C)(CN=c1nc(C(F)(F)F)[n-]s1)OCC1CC1 ZINC000413519958 527089721 /nfs/dbraw/zinc/08/97/21/527089721.db2.gz XDQJKHWOFCAQLP-UHFFFAOYSA-N -1 1 295.330 2.596 20 0 CFADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccco1 ZINC000070285599 527135668 /nfs/dbraw/zinc/13/56/68/527135668.db2.gz LMNKHJFLQBLEDE-UHFFFAOYSA-N -1 1 269.260 2.628 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CC(=O)c2ccccc21 ZINC000334859211 527214656 /nfs/dbraw/zinc/21/46/56/527214656.db2.gz IVBDDZQDTGSWSE-GFCCVEGCSA-N -1 1 285.274 2.840 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000335018456 527235706 /nfs/dbraw/zinc/23/57/06/527235706.db2.gz PQWPREKAOZPYOB-MTBHXBHISA-N -1 1 253.248 2.655 20 0 CFADMM O=S(=O)([N-]c1cc(F)ccc1F)c1ccsc1 ZINC000336472558 527246686 /nfs/dbraw/zinc/24/66/86/527246686.db2.gz KRGJHPZSEXHRFL-UHFFFAOYSA-N -1 1 275.301 2.827 20 0 CFADMM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc(O)cc1[O-] ZINC000194295185 527311191 /nfs/dbraw/zinc/31/11/91/527311191.db2.gz UJFGSKGRZTWESL-UHFFFAOYSA-N -1 1 295.298 2.740 20 0 CFADMM O=C([N-]c1nnc(C(F)F)s1)c1cc(C2CC2)on1 ZINC000063810826 527533196 /nfs/dbraw/zinc/53/31/96/527533196.db2.gz YTUISLOOKXFQBK-UHFFFAOYSA-N -1 1 286.263 2.593 20 0 CFADMM FC(F)(F)c1csc(=N[C@@H]2CC23CCOCC3)[n-]1 ZINC000336263885 527689687 /nfs/dbraw/zinc/68/96/87/527689687.db2.gz GPTGYUQXVOPRKP-SSDOTTSWSA-N -1 1 278.299 2.565 20 0 CFADMM CCO[C@@H]1C[C@H](NC(=O)c2cncc([O-])c2)C1(CC)CC ZINC000175454240 527933449 /nfs/dbraw/zinc/93/34/49/527933449.db2.gz OTZDJOIVIYXEDI-UONOGXRCSA-N -1 1 292.379 2.501 20 0 CFADMM CCOCCC1(CNC(=O)c2cncc([O-])c2)CCCC1 ZINC000178036787 528632334 /nfs/dbraw/zinc/63/23/34/528632334.db2.gz ZUWBEAMBCADUIX-UHFFFAOYSA-N -1 1 292.379 2.504 20 0 CFADMM CC(C)[C@H](NC(=O)c1ccc([O-])cc1F)C(F)(F)F ZINC000413987716 529109977 /nfs/dbraw/zinc/10/99/77/529109977.db2.gz NVCKEMMMKNKHOV-JTQLQIEISA-N -1 1 279.233 2.848 20 0 CFADMM CC(C)c1nnc(/C=C\C(=O)Nc2ccc(F)cc2[O-])o1 ZINC000492267709 534948341 /nfs/dbraw/zinc/94/83/41/534948341.db2.gz GTXANGNFGDNDSU-WAYWQWQTSA-N -1 1 291.282 2.690 20 0 CFADMM CC[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000452426484 535818701 /nfs/dbraw/zinc/81/87/01/535818701.db2.gz UAACXEGVKJQGOV-TZMCWYRMSA-N -1 1 289.375 2.908 20 0 CFADMM Cc1csc(CCNC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000057378524 545503404 /nfs/dbraw/zinc/50/34/04/545503404.db2.gz PCWJXWCPIACNOA-UHFFFAOYSA-N -1 1 296.779 2.783 20 0 CFADMM CCC(CC)n1ccc(CN(CC)CCC(=O)[O-])n1 ZINC000085180705 568584721 /nfs/dbraw/zinc/58/47/21/568584721.db2.gz IJAFOVOMRVAWFQ-UHFFFAOYSA-N -1 1 267.373 2.541 20 0 CFADMM CCCCCC[C@H](CC)C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000736444580 574055208 /nfs/dbraw/zinc/05/52/08/574055208.db2.gz HLUFYHVKJTUFEF-OLZOCXBDSA-N -1 1 295.431 2.758 20 0 CFADMM CC(C)c1ccc(NC(=O)CN(C)C(C)C)c(C(=O)[O-])c1 ZINC000736515514 574057749 /nfs/dbraw/zinc/05/77/49/574057749.db2.gz ODIASFFAYRAFHJ-UHFFFAOYSA-N -1 1 292.379 2.787 20 0 CFADMM CC[C@H](C)CN(C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736879383 574084053 /nfs/dbraw/zinc/08/40/53/574084053.db2.gz DAXNCRWAILYJLQ-CABZTGNLSA-N -1 1 294.395 2.879 20 0 CFADMM O=C(OCC(F)(F)C(F)F)c1c([O-])cc(F)cc1F ZINC000744879785 574091623 /nfs/dbraw/zinc/09/16/23/574091623.db2.gz GHKDOBFTLQLKFU-UHFFFAOYSA-N -1 1 288.143 2.728 20 0 CFADMM O=C(Nc1ccc(Cl)cc1[O-])C1=CCCCO1 ZINC000754497127 574098414 /nfs/dbraw/zinc/09/84/14/574098414.db2.gz KINYYKFERGEBJR-UHFFFAOYSA-N -1 1 253.685 2.678 20 0 CFADMM Cc1ccc(CCNc2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC000737337756 574136873 /nfs/dbraw/zinc/13/68/73/574136873.db2.gz QKNXIYZJUGZRQE-UHFFFAOYSA-N -1 1 294.362 2.533 20 0 CFADMM Cc1ccc(CCNc2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC000737337756 574136874 /nfs/dbraw/zinc/13/68/74/574136874.db2.gz QKNXIYZJUGZRQE-UHFFFAOYSA-N -1 1 294.362 2.533 20 0 CFADMM O=C([O-])NCCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000740658663 574158276 /nfs/dbraw/zinc/15/82/76/574158276.db2.gz JRHDFVKORQJAPI-OAHLLOKOSA-N -1 1 288.322 2.772 20 0 CFADMM Cc1[nH]c(C(=O)[C@@H](C)N(C)CC(C)(C)C)c(C)c1C(=O)[O-] ZINC000738228838 574160540 /nfs/dbraw/zinc/16/05/40/574160540.db2.gz CINAKGRXSJVXMX-LLVKDONJSA-N -1 1 294.395 2.879 20 0 CFADMM O=C1Oc2ccccc2/C1=C/c1ccc([O-])c(F)c1 ZINC000755581733 574168792 /nfs/dbraw/zinc/16/87/92/574168792.db2.gz RDIWDYKDQBIBEW-XFFZJAGNSA-N -1 1 256.232 2.991 20 0 CFADMM Cc1ccncc1NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747222083 574188237 /nfs/dbraw/zinc/18/82/37/574188237.db2.gz MYNBXZCDPSPUGK-UHFFFAOYSA-N -1 1 286.335 2.570 20 0 CFADMM Cc1ccc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)c(C)c1 ZINC000747239184 574188973 /nfs/dbraw/zinc/18/89/73/574188973.db2.gz VKDHOYJOMVNYNP-UHFFFAOYSA-N -1 1 294.376 2.918 20 0 CFADMM Cc1ccc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)c(C)c1 ZINC000747239184 574188976 /nfs/dbraw/zinc/18/89/76/574188976.db2.gz VKDHOYJOMVNYNP-UHFFFAOYSA-N -1 1 294.376 2.918 20 0 CFADMM Cn1cc([C@H](NCc2occc2C(=O)[O-])C(C)(C)C)cn1 ZINC000739025313 574193854 /nfs/dbraw/zinc/19/38/54/574193854.db2.gz CXMJMJRYTDJXGO-ZDUSSCGKSA-N -1 1 291.351 2.588 20 0 CFADMM C[C@H](c1ccc(F)cc1F)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739054608 574194764 /nfs/dbraw/zinc/19/47/64/574194764.db2.gz APCSSCARXDMHQW-ZJUUUORDSA-N -1 1 284.306 2.615 20 0 CFADMM C[C@H](c1cccc(F)c1)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739057077 574195212 /nfs/dbraw/zinc/19/52/12/574195212.db2.gz KZYJEZXPIHYVOE-BXUZGUMPSA-N -1 1 280.343 2.961 20 0 CFADMM C[C@H](c1ccc(F)cc1)N1CCCN(C(=O)[O-])CC1 ZINC000739059754 574195335 /nfs/dbraw/zinc/19/53/35/574195335.db2.gz VZVXZIASEMTRDC-LLVKDONJSA-N -1 1 266.316 2.572 20 0 CFADMM C[C@@H](c1ccccc1Cl)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739056406 574195786 /nfs/dbraw/zinc/19/57/86/574195786.db2.gz DWHKEZOWPFICPB-VHSXEESVSA-N -1 1 268.744 2.743 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)C1CCC1 ZINC000756092318 574209107 /nfs/dbraw/zinc/20/91/07/574209107.db2.gz QTMBBPBMSILFTP-VIFPVBQESA-N -1 1 277.368 2.532 20 0 CFADMM CCc1nc(CNC(CC)(CC)CNC(=O)[O-])cs1 ZINC000739559838 574210553 /nfs/dbraw/zinc/21/05/53/574210553.db2.gz MCPBRSYHYZDRKO-UHFFFAOYSA-N -1 1 285.413 2.622 20 0 CFADMM CCN(CC(F)F)C(=O)c1c([O-])cccc1Cl ZINC000756259617 574219533 /nfs/dbraw/zinc/21/95/33/574219533.db2.gz NREHDMRAFDDZCA-UHFFFAOYSA-N -1 1 263.671 2.773 20 0 CFADMM Cc1ccc(F)cc1CNCc1ccc(C(=O)[O-])o1 ZINC000756284774 574221540 /nfs/dbraw/zinc/22/15/40/574221540.db2.gz FEHNYKWSIHAFNE-UHFFFAOYSA-N -1 1 263.268 2.715 20 0 CFADMM Cc1ccc(CNCc2ccc(C(=O)[O-])o2)c(C)c1 ZINC000756284746 574221566 /nfs/dbraw/zinc/22/15/66/574221566.db2.gz BVXPMTADMOEOAS-UHFFFAOYSA-N -1 1 259.305 2.884 20 0 CFADMM CN(C(=O)[O-])[C@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000739587213 574222834 /nfs/dbraw/zinc/22/28/34/574222834.db2.gz UXZZFHDHZJUOHH-ZHMISCPASA-N -1 1 274.364 2.774 20 0 CFADMM CN(C(=O)[O-])[C@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC000739587213 574222838 /nfs/dbraw/zinc/22/28/38/574222838.db2.gz UXZZFHDHZJUOHH-ZHMISCPASA-N -1 1 274.364 2.774 20 0 CFADMM O=C([O-])NCc1ccc(NCc2ccc3nc[nH]c3c2)cc1 ZINC000740001993 574231893 /nfs/dbraw/zinc/23/18/93/574231893.db2.gz UPCHTHCWUVVPMK-UHFFFAOYSA-N -1 1 296.330 2.943 20 0 CFADMM CSc1ccc(CN2CCC[C@H](N(C)C(=O)[O-])C2)cc1 ZINC000740015494 574232341 /nfs/dbraw/zinc/23/23/41/574232341.db2.gz BIWBSILVXBOWTF-ZDUSSCGKSA-N -1 1 294.420 2.983 20 0 CFADMM C[C@@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1nccs1 ZINC000756750996 574260604 /nfs/dbraw/zinc/26/06/04/574260604.db2.gz NAPAPVOCZYKSSO-YFKPBYRVSA-N -1 1 288.241 2.692 20 0 CFADMM CC1=C(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCCO1 ZINC000756754249 574260776 /nfs/dbraw/zinc/26/07/76/574260776.db2.gz PDIITGTVRXVHRK-UHFFFAOYSA-N -1 1 299.330 2.805 20 0 CFADMM CC[C@@H](NC(=O)c1c([O-])cccc1Cl)[C@@H]1CCCO1 ZINC000756810389 574264768 /nfs/dbraw/zinc/26/47/68/574264768.db2.gz XMYBLQIRVDJOME-PWSUYJOCSA-N -1 1 283.755 2.733 20 0 CFADMM O=C(N[C@H]1CCCSC1)c1c([O-])cccc1Cl ZINC000748859625 574271946 /nfs/dbraw/zinc/27/19/46/574271946.db2.gz YAIWJHILISFBMA-QMMMGPOBSA-N -1 1 271.769 2.671 20 0 CFADMM CCCc1cc(=O)[n-]c(SCCC(F)(F)F)n1 ZINC000071810296 574285218 /nfs/dbraw/zinc/28/52/18/574285218.db2.gz BKMIBXADWATUBI-UHFFFAOYSA-N -1 1 266.288 2.767 20 0 CFADMM O=C(NCc1cccc(F)n1)c1c([O-])cccc1Cl ZINC000749298742 574288479 /nfs/dbraw/zinc/28/84/79/574288479.db2.gz RWQVHRVHUMUOOF-UHFFFAOYSA-N -1 1 280.686 2.510 20 0 CFADMM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)C(C)(C)C ZINC000734498723 574290089 /nfs/dbraw/zinc/29/00/89/574290089.db2.gz UUAFXNBGEZCNDB-SECBINFHSA-N -1 1 291.363 2.925 20 0 CFADMM CSc1ccc(C(=O)[N-]c2nc(C3CC3)no2)o1 ZINC000734879092 574306068 /nfs/dbraw/zinc/30/60/68/574306068.db2.gz RVTIKLRZOOMQAT-UHFFFAOYSA-N -1 1 265.294 2.514 20 0 CFADMM CC(C)(C)CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000735602347 574330822 /nfs/dbraw/zinc/33/08/22/574330822.db2.gz MPGMGUOHUKOAQP-UHFFFAOYSA-N -1 1 280.763 2.763 20 0 CFADMM CC(C)(C)CCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000735602347 574330824 /nfs/dbraw/zinc/33/08/24/574330824.db2.gz MPGMGUOHUKOAQP-UHFFFAOYSA-N -1 1 280.763 2.763 20 0 CFADMM C[C@@H](c1cccc(F)c1)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739057083 574336818 /nfs/dbraw/zinc/33/68/18/574336818.db2.gz KZYJEZXPIHYVOE-SMDDNHRTSA-N -1 1 280.343 2.961 20 0 CFADMM C[C@@H](CN(C)c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000736002957 574346555 /nfs/dbraw/zinc/34/65/55/574346555.db2.gz UQJRCTIEEMOROX-LBPRGKRZSA-N -1 1 294.362 2.502 20 0 CFADMM C[C@@H](CN(C)c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000736002957 574346556 /nfs/dbraw/zinc/34/65/56/574346556.db2.gz UQJRCTIEEMOROX-LBPRGKRZSA-N -1 1 294.362 2.502 20 0 CFADMM Cc1nonc1[N-]C(=O)c1nc(-c2cccs2)oc1C ZINC000750551811 574347388 /nfs/dbraw/zinc/34/73/88/574347388.db2.gz NPYLEWATWDNFBS-UHFFFAOYSA-N -1 1 290.304 2.655 20 0 CFADMM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])s1)N1CCCCCC1 ZINC000736214513 574355843 /nfs/dbraw/zinc/35/58/43/574355843.db2.gz HSIHQFDVFMMOHM-JTQLQIEISA-N -1 1 296.392 2.649 20 0 CFADMM C/C=C(/C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000750897413 574360240 /nfs/dbraw/zinc/36/02/40/574360240.db2.gz PKPRVLRYVGUMLH-OQFOIZHKSA-N -1 1 274.272 2.508 20 0 CFADMM CC1(C)CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000743766655 574371883 /nfs/dbraw/zinc/37/18/83/574371883.db2.gz RXFMAOYAQPYOAN-UHFFFAOYSA-N -1 1 253.729 2.918 20 0 CFADMM CCC1(CNC(=O)c2c([O-])cccc2Cl)CC1 ZINC000752815446 574395439 /nfs/dbraw/zinc/39/54/39/574395439.db2.gz IVMIIRBHNZKRCK-UHFFFAOYSA-N -1 1 253.729 2.966 20 0 CFADMM CO[C@H]1C[C@@H](NC(=O)c2c([O-])cccc2Cl)C1(C)C ZINC000753342947 574401495 /nfs/dbraw/zinc/40/14/95/574401495.db2.gz PMHGGFCGDLRQKR-MNOVXSKESA-N -1 1 283.755 2.589 20 0 CFADMM c1cc(N[C@H]2C[C@@H]2C2CCCCC2)nc(-c2nnn[n-]2)c1 ZINC000823757082 599042188 /nfs/dbraw/zinc/04/21/88/599042188.db2.gz LUFXBCAUHFWEFI-YPMHNXCESA-N -1 1 284.367 2.642 20 0 CFADMM c1cc(N[C@H]2C[C@@H]2C2CCCCC2)nc(-c2nn[n-]n2)c1 ZINC000823757082 599042191 /nfs/dbraw/zinc/04/21/91/599042191.db2.gz LUFXBCAUHFWEFI-YPMHNXCESA-N -1 1 284.367 2.642 20 0 CFADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1cncs1 ZINC000818054070 597244441 /nfs/dbraw/zinc/24/44/41/597244441.db2.gz XAWXSWGDYJYFFO-SECBINFHSA-N -1 1 262.334 2.692 20 0 CFADMM Cc1ccc([C@@H](C)NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000900123073 620639617 /nfs/dbraw/zinc/63/96/17/620639617.db2.gz GXLDRXQETKZRAD-LLVKDONJSA-N -1 1 297.358 2.859 20 0 CFADMM CCC1(CC)[C@H]([N-]C(=O)C(F)(F)F)[C@@H](C)[C@H]1OC ZINC000771408001 627602300 /nfs/dbraw/zinc/60/23/00/627602300.db2.gz YREYCMZOVJZUSZ-IWSPIJDZSA-N -1 1 267.291 2.505 20 0 CFADMM CC[C@@H](C)[C@@H](C)Nc1[nH+]c(C)cc(C)c1-c1nn[nH]n1 ZINC000095274578 607326320 /nfs/dbraw/zinc/32/63/20/607326320.db2.gz KXCYXBADMCCRMV-LDYMZIIASA-N -1 1 274.372 2.725 20 0 CFADMM Cc1nc2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc2[nH]1 ZINC000821181777 598135078 /nfs/dbraw/zinc/13/50/78/598135078.db2.gz JXICOWAIFIPBBG-UHFFFAOYSA-N -1 1 295.298 2.822 20 0 CFADMM O=C([O-])c1cccc(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000821551027 598140894 /nfs/dbraw/zinc/14/08/94/598140894.db2.gz ZJWIODRPNJFLAN-UHFFFAOYSA-N -1 1 281.271 2.513 20 0 CFADMM O=C([O-])C[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000086757599 598151662 /nfs/dbraw/zinc/15/16/62/598151662.db2.gz QIRDGQXARZQRHV-JTQLQIEISA-N -1 1 269.291 2.652 20 0 CFADMM COC[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000223597099 598175939 /nfs/dbraw/zinc/17/59/39/598175939.db2.gz PDEOPZKHZRZSRN-MRXNPFEDSA-N -1 1 285.343 2.862 20 0 CFADMM CN1Cc2ccc(NCc3cccc(C(=O)[O-])c3)cc2C1 ZINC000820631442 598204619 /nfs/dbraw/zinc/20/46/19/598204619.db2.gz VWWRRCULNWXVOZ-UHFFFAOYSA-N -1 1 282.343 2.942 20 0 CFADMM CC(C)[C@H]1C[C@@H]1C(=O)Nc1nc(Br)ccc1[O-] ZINC000783906338 628754316 /nfs/dbraw/zinc/75/43/16/628754316.db2.gz RLPOCXUCKXKONR-SFYZADRCSA-N -1 1 299.168 2.780 20 0 CFADMM CCN(CC)c1ncc(CN(CC(=O)[O-])CC(C)C)s1 ZINC000901590649 620864173 /nfs/dbraw/zinc/86/41/73/620864173.db2.gz OCJGKZNATPKOBC-UHFFFAOYSA-N -1 1 299.440 2.532 20 0 CFADMM Clc1ccccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000095167060 599392662 /nfs/dbraw/zinc/39/26/62/599392662.db2.gz OFFMWQPQHIWVSP-UHFFFAOYSA-N -1 1 286.726 2.527 20 0 CFADMM Clc1ccccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000095167060 599392663 /nfs/dbraw/zinc/39/26/63/599392663.db2.gz OFFMWQPQHIWVSP-UHFFFAOYSA-N -1 1 286.726 2.527 20 0 CFADMM O=C([O-])c1ccc(CNCc2ccc3cccnc3c2)o1 ZINC000740132183 600524154 /nfs/dbraw/zinc/52/41/54/600524154.db2.gz GATNPFVUEPJIGJ-UHFFFAOYSA-N -1 1 282.299 2.816 20 0 CFADMM O=C([O-])c1cccc(CN2CCOC3(CCCCC3)C2)c1 ZINC000263426534 600833953 /nfs/dbraw/zinc/83/39/53/600833953.db2.gz QSSZPSAHLGYMNF-UHFFFAOYSA-N -1 1 289.375 2.920 20 0 CFADMM Cc1cccc(CN(C)Cc2cccc(C(=O)[O-])c2)n1 ZINC000094919807 601026670 /nfs/dbraw/zinc/02/66/70/601026670.db2.gz GIMCERTXHIIZDC-UHFFFAOYSA-N -1 1 270.332 2.720 20 0 CFADMM C/C(=C/CN1CCc2cc(F)ccc2[C@H]1C)C(=O)[O-] ZINC000825746108 601170350 /nfs/dbraw/zinc/17/03/50/601170350.db2.gz FINRCCSLKZPRRH-GULOHRGCSA-N -1 1 263.312 2.776 20 0 CFADMM C/C(=C/CN1CCc2cccc(F)c2[C@@H]1C)C(=O)[O-] ZINC000825746240 601171146 /nfs/dbraw/zinc/17/11/46/601171146.db2.gz GZXAPBJUSBZCRS-YAEJEKNGSA-N -1 1 263.312 2.776 20 0 CFADMM CC[C@H](C)CN(CC)CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000828746711 601181154 /nfs/dbraw/zinc/18/11/54/601181154.db2.gz IQFXAJFXQBTQRH-JTQLQIEISA-N -1 1 294.395 2.880 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@]12CCO[C@H]1CCCC2 ZINC000935597953 649920954 /nfs/dbraw/zinc/92/09/54/649920954.db2.gz KLPBFOPIWKWEKE-IINYFYTJSA-N -1 1 296.754 2.728 20 0 CFADMM CC[C@H](C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1)N(CC)CC ZINC000828603556 601466692 /nfs/dbraw/zinc/46/66/92/601466692.db2.gz MBWKSEUIYRZUSE-GHMZBOCLSA-N -1 1 297.351 2.702 20 0 CFADMM O=C([O-])c1sccc1CSc1nc(C2CC2)n[nH]1 ZINC000713460866 601808632 /nfs/dbraw/zinc/80/86/32/601808632.db2.gz LQLDZFSFKWEXNI-UHFFFAOYSA-N -1 1 281.362 2.734 20 0 CFADMM O=C([O-])c1sccc1CSc1n[nH]c(C2CC2)n1 ZINC000713460866 601808633 /nfs/dbraw/zinc/80/86/33/601808633.db2.gz LQLDZFSFKWEXNI-UHFFFAOYSA-N -1 1 281.362 2.734 20 0 CFADMM O=C([O-])c1cc(CNCc2ccc3ccccc3n2)c[nH]1 ZINC000833297909 601832711 /nfs/dbraw/zinc/83/27/11/601832711.db2.gz OIVKWNYHAXVPDK-UHFFFAOYSA-N -1 1 281.315 2.551 20 0 CFADMM CCN(Cc1ccccn1)Cc1ccc(F)cc1C(=O)[O-] ZINC000094928173 601962751 /nfs/dbraw/zinc/96/27/51/601962751.db2.gz MEKZYOLLYGNFAU-UHFFFAOYSA-N -1 1 288.322 2.941 20 0 CFADMM C[C@H](c1ccc(F)cc1)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739057737 601967358 /nfs/dbraw/zinc/96/73/58/601967358.db2.gz NVPOOHVXSOHDNT-BXUZGUMPSA-N -1 1 280.343 2.961 20 0 CFADMM O=C([O-])[C@H](NCc1ccc(F)cn1)c1cccc(Cl)c1 ZINC000833164561 601980856 /nfs/dbraw/zinc/98/08/56/601980856.db2.gz BDNAGPHZNPVNBS-CYBMUJFWSA-N -1 1 294.713 2.790 20 0 CFADMM C[C@@H](C(=O)Nc1cc(C(=O)[O-])cs1)N1CCCCCC1 ZINC000826013263 602179914 /nfs/dbraw/zinc/17/99/14/602179914.db2.gz LKSPJXXZPYDMMK-JTQLQIEISA-N -1 1 296.392 2.649 20 0 CFADMM CN(Cc1ccc(Cl)s1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828356386 603495410 /nfs/dbraw/zinc/49/54/10/603495410.db2.gz ZZNHJFXCMQHCJO-MRVPVSSYSA-N -1 1 274.773 2.586 20 0 CFADMM CCc1nc(CN(C)C2CCC(NC(=O)[O-])CC2)cs1 ZINC000827632740 603781119 /nfs/dbraw/zinc/78/11/19/603781119.db2.gz RDQONJITMQRWRL-UHFFFAOYSA-N -1 1 297.424 2.716 20 0 CFADMM C[C@@H](c1ccc(F)cc1)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825629683 603790470 /nfs/dbraw/zinc/79/04/70/603790470.db2.gz GLJSPEVVPKNJOF-GWCFXTLKSA-N -1 1 266.316 2.571 20 0 CFADMM Cc1ncc(CN(C)CC[C@@H](NC(=O)[O-])C(C)C)s1 ZINC000830808628 603824970 /nfs/dbraw/zinc/82/49/70/603824970.db2.gz DVHVMJUONYVDDQ-GFCCVEGCSA-N -1 1 285.413 2.566 20 0 CFADMM CCc1noc(C)c1CN1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000827664556 603902435 /nfs/dbraw/zinc/90/24/35/603902435.db2.gz ZSTFHSDVYYUDHH-HZMBPMFUSA-N -1 1 295.383 2.556 20 0 CFADMM CCc1noc(C)c1CN1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000827664558 603902457 /nfs/dbraw/zinc/90/24/57/603902457.db2.gz ZSTFHSDVYYUDHH-QMTHXVAHSA-N -1 1 295.383 2.556 20 0 CFADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000825265456 604169525 /nfs/dbraw/zinc/16/95/25/604169525.db2.gz RXIRZHAMRVQEEJ-JQWIXIFHSA-N -1 1 298.333 2.833 20 0 CFADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000825262685 604182327 /nfs/dbraw/zinc/18/23/27/604182327.db2.gz CDVXOFDSKUDLBE-QWRGUYRKSA-N -1 1 298.333 2.833 20 0 CFADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccncc2Cl)C1 ZINC000825273671 604210161 /nfs/dbraw/zinc/21/01/61/604210161.db2.gz QDURFIDZTPVLSA-WDEREUQCSA-N -1 1 297.786 2.603 20 0 CFADMM Cc1ccnc(NC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830611026 604348043 /nfs/dbraw/zinc/34/80/43/604348043.db2.gz DGYXTBLDJYKPEN-CYBMUJFWSA-N -1 1 271.320 2.811 20 0 CFADMM COc1cccc([O-])c1C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000900414879 620672570 /nfs/dbraw/zinc/67/25/70/620672570.db2.gz NHVNREHRWLHLDR-UHFFFAOYSA-N -1 1 289.335 2.605 20 0 CFADMM Cc1sc(C(=O)[O-])cc1CN1CCOC2(CCCC2)C1 ZINC000833031161 604365848 /nfs/dbraw/zinc/36/58/48/604365848.db2.gz HERHHKSSRXEYSR-UHFFFAOYSA-N -1 1 295.404 2.900 20 0 CFADMM CCCc1ccc(CN(C)[C@H](COC(C)C)C(=O)[O-])cc1 ZINC000829566050 604399126 /nfs/dbraw/zinc/39/91/26/604399126.db2.gz AOHUGWSZUDRXNO-MRXNPFEDSA-N -1 1 293.407 2.949 20 0 CFADMM O=C([O-])[C@@H](c1ccccc1F)N1CCOC2(CCCC2)C1 ZINC000833174754 604499044 /nfs/dbraw/zinc/49/90/44/604499044.db2.gz VPYOCWKSYAPQLG-CQSZACIVSA-N -1 1 293.338 2.596 20 0 CFADMM CC(C)=C(C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833462626 604503414 /nfs/dbraw/zinc/50/34/14/604503414.db2.gz GGAQEVZVEDXJER-UHFFFAOYSA-N -1 1 273.292 2.556 20 0 CFADMM C[C@@H]1C[C@H]1c1ccc(CN(C)C(C)(C)C(=O)[O-])o1 ZINC000086762270 604626546 /nfs/dbraw/zinc/62/65/46/604626546.db2.gz AZDQSORCBDYFJW-MWLCHTKSSA-N -1 1 251.326 2.698 20 0 CFADMM C[C@@H](C(=O)Nc1cc(C(=O)[O-])cs1)N1[C@H](C)CC[C@@H]1C ZINC000828214979 604705323 /nfs/dbraw/zinc/70/53/23/604705323.db2.gz XDGORPOFQSNRHQ-AEJSXWLSSA-N -1 1 296.392 2.646 20 0 CFADMM CC(C)(C(=O)[O-])[C@@H](NCc1ccno1)c1ccccc1 ZINC000833414973 605181031 /nfs/dbraw/zinc/18/10/31/605181031.db2.gz QFRBTYRFLDPZRW-ZDUSSCGKSA-N -1 1 274.320 2.616 20 0 CFADMM CC(C)(C(=O)[O-])[C@H](NCc1ccno1)c1ccccc1 ZINC000833414971 605181406 /nfs/dbraw/zinc/18/14/06/605181406.db2.gz QFRBTYRFLDPZRW-CYBMUJFWSA-N -1 1 274.320 2.616 20 0 CFADMM O=C([O-])NC[C@H]1CCCN1c1ccnc2cc(F)ccc21 ZINC000832577445 605342475 /nfs/dbraw/zinc/34/24/75/605342475.db2.gz IALPYXFKXADLOD-LLVKDONJSA-N -1 1 289.310 2.610 20 0 CFADMM COc1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c(C)c1 ZINC000900517857 620685064 /nfs/dbraw/zinc/68/50/64/620685064.db2.gz HJZQXZLWKMEYSZ-UHFFFAOYSA-N -1 1 299.330 2.629 20 0 CFADMM Cc1nc([C@@H](C)N[C@@H](CNC(=O)[O-])CC(C)C)cs1 ZINC000830708765 605479385 /nfs/dbraw/zinc/47/93/85/605479385.db2.gz CSKDZCJTJOEMLK-MWLCHTKSSA-N -1 1 285.413 2.784 20 0 CFADMM CCCC[C@H](CNC(=O)[O-])N[C@@H](C)c1csc(C)n1 ZINC000826806718 605479430 /nfs/dbraw/zinc/47/94/30/605479430.db2.gz PVIPZEWQFFYGJK-GXSJLCMTSA-N -1 1 285.413 2.929 20 0 CFADMM Cc1nc([C@H](C)N[C@@H]2CCCCN(C(=O)[O-])C2)cs1 ZINC000830709946 605480439 /nfs/dbraw/zinc/48/04/39/605480439.db2.gz XBWSCMLBBJJPHC-GXSJLCMTSA-N -1 1 283.397 2.635 20 0 CFADMM O=C([O-])NCC1CCN(Cc2cscc2Cl)CC1 ZINC000834226024 605488177 /nfs/dbraw/zinc/48/81/77/605488177.db2.gz RRBUDFRPZPOWTL-UHFFFAOYSA-N -1 1 288.800 2.881 20 0 CFADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2coc(C3CC3)n2)C1 ZINC000833420451 605548985 /nfs/dbraw/zinc/54/89/85/605548985.db2.gz RYNQBUXGBAWJHP-LBPRGKRZSA-N -1 1 292.379 2.875 20 0 CFADMM O=C([O-])N1CC[C@H](N[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000834082223 605998651 /nfs/dbraw/zinc/99/86/51/605998651.db2.gz GQSQUGCWXRXBBL-HOCLYGCPSA-N -1 1 297.358 2.513 20 0 CFADMM CCC[C@H]1C[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000821041083 606419932 /nfs/dbraw/zinc/41/99/32/606419932.db2.gz YUZSHCIHYLWZBE-WDSKDSINSA-N -1 1 284.776 2.577 20 0 CFADMM CCC[C@H]1C[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000821041083 606419930 /nfs/dbraw/zinc/41/99/30/606419930.db2.gz YUZSHCIHYLWZBE-WDSKDSINSA-N -1 1 284.776 2.577 20 0 CFADMM CC1(CNc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000820623441 606422053 /nfs/dbraw/zinc/42/20/53/606422053.db2.gz QIFXDTSCUZXBAR-UHFFFAOYSA-N -1 1 280.335 2.627 20 0 CFADMM CC1(CNc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000820623441 606422056 /nfs/dbraw/zinc/42/20/56/606422056.db2.gz QIFXDTSCUZXBAR-UHFFFAOYSA-N -1 1 280.335 2.627 20 0 CFADMM CCC(C)(C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820848356 606442842 /nfs/dbraw/zinc/44/28/42/606442842.db2.gz VRRMHBYEFTXCOP-UHFFFAOYSA-N -1 1 266.736 2.516 20 0 CFADMM CCC(C)(C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820848356 606442843 /nfs/dbraw/zinc/44/28/43/606442843.db2.gz VRRMHBYEFTXCOP-UHFFFAOYSA-N -1 1 266.736 2.516 20 0 CFADMM C[C@H]1CCCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820703944 606466668 /nfs/dbraw/zinc/46/66/68/606466668.db2.gz KPSPWMXLVQJOBG-VIFPVBQESA-N -1 1 292.774 2.684 20 0 CFADMM C[C@H]1CCCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820703944 606466669 /nfs/dbraw/zinc/46/66/69/606466669.db2.gz KPSPWMXLVQJOBG-VIFPVBQESA-N -1 1 292.774 2.684 20 0 CFADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000822254519 606486349 /nfs/dbraw/zinc/48/63/49/606486349.db2.gz LYZZFRSBTSIWBD-UHFFFAOYSA-N -1 1 299.359 2.797 20 0 CFADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000822254519 606486351 /nfs/dbraw/zinc/48/63/51/606486351.db2.gz LYZZFRSBTSIWBD-UHFFFAOYSA-N -1 1 299.359 2.797 20 0 CFADMM Cc1ccc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1F ZINC000822229485 606733948 /nfs/dbraw/zinc/73/39/48/606733948.db2.gz VSXQLHYGQQHQLG-SNVBAGLBSA-N -1 1 298.325 2.882 20 0 CFADMM Cc1ccc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1F ZINC000822229485 606733950 /nfs/dbraw/zinc/73/39/50/606733950.db2.gz VSXQLHYGQQHQLG-SNVBAGLBSA-N -1 1 298.325 2.882 20 0 CFADMM CC[C@H]1CCC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820978671 606807351 /nfs/dbraw/zinc/80/73/51/606807351.db2.gz CCHBBFQGOPRZKD-NKWVEPMBSA-N -1 1 298.803 2.967 20 0 CFADMM CC[C@H]1CCC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820978671 606807352 /nfs/dbraw/zinc/80/73/52/606807352.db2.gz CCHBBFQGOPRZKD-NKWVEPMBSA-N -1 1 298.803 2.967 20 0 CFADMM Cc1ccccc1COc1cccc(F)c1-c1nnn[n-]1 ZINC000826307349 607865257 /nfs/dbraw/zinc/86/52/57/607865257.db2.gz DUZDEKWSVDENNP-UHFFFAOYSA-N -1 1 284.294 2.893 20 0 CFADMM Cc1ccccc1COc1cccc(F)c1-c1nn[n-]n1 ZINC000826307349 607865258 /nfs/dbraw/zinc/86/52/58/607865258.db2.gz DUZDEKWSVDENNP-UHFFFAOYSA-N -1 1 284.294 2.893 20 0 CFADMM Fc1ccc(Sc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000095163600 607894364 /nfs/dbraw/zinc/89/43/64/607894364.db2.gz FXUQRBYETKBOJP-UHFFFAOYSA-N -1 1 273.296 2.552 20 0 CFADMM Fc1ccc(Sc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000095163600 607894365 /nfs/dbraw/zinc/89/43/65/607894365.db2.gz FXUQRBYETKBOJP-UHFFFAOYSA-N -1 1 273.296 2.552 20 0 CFADMM Cc1cccc(Sc2cccc(-c3nnn[n-]3)n2)c1 ZINC000095325599 607896978 /nfs/dbraw/zinc/89/69/78/607896978.db2.gz RUYTZKLPQZBVOR-UHFFFAOYSA-N -1 1 269.333 2.721 20 0 CFADMM Cc1cccc(Sc2cccc(-c3nn[n-]n3)n2)c1 ZINC000095325599 607896979 /nfs/dbraw/zinc/89/69/79/607896979.db2.gz RUYTZKLPQZBVOR-UHFFFAOYSA-N -1 1 269.333 2.721 20 0 CFADMM C[C@@H]1Cc2ccccc2[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000825011974 607898910 /nfs/dbraw/zinc/89/89/10/607898910.db2.gz BMSOPJOKDJNOGF-BMIGLBTASA-N -1 1 292.346 2.607 20 0 CFADMM C[C@@H]1Cc2ccccc2[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000825011974 607898911 /nfs/dbraw/zinc/89/89/11/607898911.db2.gz BMSOPJOKDJNOGF-BMIGLBTASA-N -1 1 292.346 2.607 20 0 CFADMM CC[C@@H]1C[C@H](C)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000825184755 608187631 /nfs/dbraw/zinc/18/76/31/608187631.db2.gz ZAENHSUGOZLKNK-NKWVEPMBSA-N -1 1 298.803 2.601 20 0 CFADMM CC[C@@H]1C[C@H](C)CN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000825184755 608187633 /nfs/dbraw/zinc/18/76/33/608187633.db2.gz ZAENHSUGOZLKNK-NKWVEPMBSA-N -1 1 298.803 2.601 20 0 CFADMM CC[C@@H]1CC[C@H](C)N1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825191365 608237440 /nfs/dbraw/zinc/23/74/40/608237440.db2.gz ASINPBBJJRTGAS-DTWKUNHWSA-N -1 1 292.774 2.682 20 0 CFADMM CC[C@@H]1CC[C@H](C)N1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825191365 608237442 /nfs/dbraw/zinc/23/74/42/608237442.db2.gz ASINPBBJJRTGAS-DTWKUNHWSA-N -1 1 292.774 2.682 20 0 CFADMM c1sc2ccccc2c1Nc1nccnc1-c1nnn[n-]1 ZINC000826523292 609436991 /nfs/dbraw/zinc/43/69/91/609436991.db2.gz HWMWUMRVTVVKSR-UHFFFAOYSA-N -1 1 295.331 2.615 20 0 CFADMM c1sc2ccccc2c1Nc1nccnc1-c1nn[n-]n1 ZINC000826523292 609436993 /nfs/dbraw/zinc/43/69/93/609436993.db2.gz HWMWUMRVTVVKSR-UHFFFAOYSA-N -1 1 295.331 2.615 20 0 CFADMM CC1(C)CCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900787910 620713919 /nfs/dbraw/zinc/71/39/19/620713919.db2.gz PPNPUFJLIICABR-UHFFFAOYSA-N -1 1 274.295 2.704 20 0 CFADMM O=C([N-]c1noc2c1CCCC2)c1cc(C2CC2)no1 ZINC000900788286 620713991 /nfs/dbraw/zinc/71/39/91/620713991.db2.gz UZZKALLZXPJBCN-UHFFFAOYSA-N -1 1 273.292 2.671 20 0 CFADMM CC[C@H]1CCCCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900793771 620715110 /nfs/dbraw/zinc/71/51/10/620715110.db2.gz XRIGYRMTAHJCQD-LBPRGKRZSA-N -1 1 289.379 2.854 20 0 CFADMM CC[C@@H]1CCC[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900804600 620716455 /nfs/dbraw/zinc/71/64/55/620716455.db2.gz FKQUEXOOUWWDIR-PWSUYJOCSA-N -1 1 289.379 2.758 20 0 CFADMM CC[C@@H]1CCC[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900804601 620716585 /nfs/dbraw/zinc/71/65/85/620716585.db2.gz FKQUEXOOUWWDIR-ZYHUDNBSSA-N -1 1 289.379 2.758 20 0 CFADMM CN(C(=O)c1c([O-])cnc2c(F)cccc21)C1CCC1 ZINC000900853363 620722295 /nfs/dbraw/zinc/72/22/95/620722295.db2.gz DRZJWYWJFKYTBK-UHFFFAOYSA-N -1 1 274.295 2.704 20 0 CFADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@]12C[C@@H]1CCCC2 ZINC000891613000 617686537 /nfs/dbraw/zinc/68/65/37/617686537.db2.gz FWLQQUIASMLPGS-QFYYESIMSA-N -1 1 287.363 2.580 20 0 CFADMM CC(C)(C)SCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891627014 617690676 /nfs/dbraw/zinc/69/06/76/617690676.db2.gz GXTHKWFCQGGOIH-UHFFFAOYSA-N -1 1 295.408 2.531 20 0 CFADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)C1CCCCC1 ZINC000891631184 617691635 /nfs/dbraw/zinc/69/16/35/617691635.db2.gz NFYJBZPCUVVJOI-UHFFFAOYSA-N -1 1 275.352 2.580 20 0 CFADMM CC[C@@H]1c2ccccc2CN1C(=O)c1ncccc1[O-] ZINC000890611692 617700130 /nfs/dbraw/zinc/70/01/30/617700130.db2.gz DGDRXFVXJGVHAR-CYBMUJFWSA-N -1 1 268.316 2.894 20 0 CFADMM Cc1cc(C)c(CC(=O)[N-]OCC(F)(F)F)s1 ZINC000901110874 620752162 /nfs/dbraw/zinc/75/21/62/620752162.db2.gz MOMUVDPJQFNQPF-UHFFFAOYSA-N -1 1 267.272 2.518 20 0 CFADMM O=C(NOC/C=C\Cl)c1cc2ccccc2cc1[O-] ZINC000812404519 617785810 /nfs/dbraw/zinc/78/58/10/617785810.db2.gz FQKVIBUEKGVSSF-UTCJRWHESA-N -1 1 277.707 2.959 20 0 CFADMM COCc1nc(N[C@@H](C)c2ccc(C)s2)cc(=O)[n-]1 ZINC000891963563 617881423 /nfs/dbraw/zinc/88/14/23/617881423.db2.gz IWRINPNIQWHRRE-VIFPVBQESA-N -1 1 279.365 2.872 20 0 CFADMM Cc1ccn(C[C@@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000866869460 617929220 /nfs/dbraw/zinc/92/92/20/617929220.db2.gz VUCSOOLLDSSDJE-SECBINFHSA-N -1 1 293.754 2.825 20 0 CFADMM O=C([O-])[C@H]1CCCCCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000080987904 618003946 /nfs/dbraw/zinc/00/39/46/618003946.db2.gz SMSWEVFRQXPPTC-LLVKDONJSA-N -1 1 297.738 2.515 20 0 CFADMM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1ccccn1 ZINC000255505949 618035053 /nfs/dbraw/zinc/03/50/53/618035053.db2.gz QYTWCBFFYUOXAV-NTMALXAHSA-N -1 1 278.308 2.633 20 0 CFADMM Cc1cccc2c1N[C@@H](c1cc(F)c([O-])c(F)c1)NC2=O ZINC000175926761 618073940 /nfs/dbraw/zinc/07/39/40/618073940.db2.gz YRBRQUBXTIWSFF-CQSZACIVSA-N -1 1 290.269 2.833 20 0 CFADMM COc1ccccc1CNC(=O)c1c([O-])cccc1Cl ZINC000049082470 618078355 /nfs/dbraw/zinc/07/83/55/618078355.db2.gz UBOOXOYBKOPTNI-UHFFFAOYSA-N -1 1 291.734 2.984 20 0 CFADMM O=C(Nc1cnn(C2CCC2)c1)c1ccccc1[O-] ZINC000889063221 618137536 /nfs/dbraw/zinc/13/75/36/618137536.db2.gz MVEJMUZDHJCBAN-UHFFFAOYSA-N -1 1 257.293 2.566 20 0 CFADMM O=C(N[C@@H]1CC12CCCCC2)c1cnc(C2CC2)[n-]c1=O ZINC000901307651 620781563 /nfs/dbraw/zinc/78/15/63/620781563.db2.gz WXPYXGOUTRFLFE-GFCCVEGCSA-N -1 1 287.363 2.512 20 0 CFADMM CC(C)(C(=O)[N-]O[C@H]1CCCCO1)C1CCCC1 ZINC000161996094 618195448 /nfs/dbraw/zinc/19/54/48/618195448.db2.gz JIVBZAYMRFMMNY-LBPRGKRZSA-N -1 1 255.358 2.777 20 0 CFADMM Cc1ccccc1[C@@H](C)NCc1cccc(C(=O)[O-])n1 ZINC000235217362 618211676 /nfs/dbraw/zinc/21/16/76/618211676.db2.gz BHUINBKDEHXREL-GFCCVEGCSA-N -1 1 270.332 2.939 20 0 CFADMM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1cccc(F)n1 ZINC000186613056 618261435 /nfs/dbraw/zinc/26/14/35/618261435.db2.gz SNGCZYRKHCRJHE-CMDGGOBGSA-N -1 1 296.298 2.772 20 0 CFADMM Cc1cc(CN[C@H](C)CC(F)(F)F)oc1C(=O)[O-] ZINC000235453508 618324256 /nfs/dbraw/zinc/32/42/56/618324256.db2.gz XDHLDTRVFXOQKQ-SSDOTTSWSA-N -1 1 265.231 2.717 20 0 CFADMM Cc1ccc(CNCc2cc(C)c(C(=O)[O-])o2)s1 ZINC000235884473 618456300 /nfs/dbraw/zinc/45/63/00/618456300.db2.gz CPSPMGFJUFFLRR-UHFFFAOYSA-N -1 1 265.334 2.946 20 0 CFADMM CC(C)c1ncc(CN2CCC(CC(=O)[O-])CC2)s1 ZINC000901418388 620812438 /nfs/dbraw/zinc/81/24/38/620812438.db2.gz CQCLJZPYTVMBRF-UHFFFAOYSA-N -1 1 282.409 2.953 20 0 CFADMM O=C([O-])c1cc(CN2CCC[C@@H]2c2ccccc2)on1 ZINC000901417577 620812856 /nfs/dbraw/zinc/81/28/56/620812856.db2.gz LIZFUJUFGMKWHS-CQSZACIVSA-N -1 1 272.304 2.710 20 0 CFADMM C[C@@H]1SCCN(Cc2ccc(/C=C/C(=O)[O-])o2)[C@H]1C ZINC000901433873 620819004 /nfs/dbraw/zinc/81/90/04/620819004.db2.gz MYNNWRIDPWFTRB-PZIAFJOJSA-N -1 1 281.377 2.703 20 0 CFADMM COCc1nc(N2CCC[C@]3(CC=CCC3)C2)cc(=O)[n-]1 ZINC000892534798 618616139 /nfs/dbraw/zinc/61/61/39/618616139.db2.gz WRHIYTUNJHUIRW-MRXNPFEDSA-N -1 1 289.379 2.655 20 0 CFADMM COCc1nc(N2C[C@@H](c3ccccc3)C[C@@H]2C)cc(=O)[n-]1 ZINC000892551551 618629595 /nfs/dbraw/zinc/62/95/95/618629595.db2.gz HKERWZVLYMKGMX-JSGCOSHPSA-N -1 1 299.374 2.711 20 0 CFADMM CCC[C@H](C)CC(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066637979 618633701 /nfs/dbraw/zinc/63/37/01/618633701.db2.gz UBWILWALUGMOJY-VIFPVBQESA-N -1 1 282.413 2.718 20 0 CFADMM Cc1cc(C)c2[nH]cc(C(=O)[N-]OCC(C)C)c(=O)c2c1 ZINC000165265098 618696162 /nfs/dbraw/zinc/69/61/62/618696162.db2.gz KEUCTWMBQRGOKK-UHFFFAOYSA-N -1 1 288.347 2.875 20 0 CFADMM CCS[C@H]1CCC[C@H](Nc2cc(=O)[n-]c(COC)n2)C1 ZINC000892813523 618750173 /nfs/dbraw/zinc/75/01/73/618750173.db2.gz SGPOMTJMBLMYPR-QWRGUYRKSA-N -1 1 297.424 2.805 20 0 CFADMM Cc1ccoc1CNCc1ccc(CC(=O)[O-])cc1 ZINC000311982290 618813824 /nfs/dbraw/zinc/81/38/24/618813824.db2.gz QVXCBACOAJOZAJ-UHFFFAOYSA-N -1 1 259.305 2.505 20 0 CFADMM COCc1nc(NCc2c(C)oc3ccccc32)cc(=O)[n-]1 ZINC000893214266 618887719 /nfs/dbraw/zinc/88/77/19/618887719.db2.gz RGSSATPIXRMNAN-UHFFFAOYSA-N -1 1 299.330 2.995 20 0 CFADMM O=C(Cc1cccc(F)c1F)Nc1nc(Cl)ccc1[O-] ZINC000194579327 618937803 /nfs/dbraw/zinc/93/78/03/618937803.db2.gz SFNMDWBZZIENTR-UHFFFAOYSA-N -1 1 298.676 2.900 20 0 CFADMM CCC(=O)[C@@H]1CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000909357360 618998302 /nfs/dbraw/zinc/99/83/02/618998302.db2.gz CSVPGMXULHBECN-ZDUSSCGKSA-N -1 1 298.342 2.524 20 0 CFADMM COc1ccc([C@H](C)NCc2ccc(C(=O)[O-])cn2)cc1 ZINC000094761437 619167634 /nfs/dbraw/zinc/16/76/34/619167634.db2.gz OLVCLDOMQOHUHO-NSHDSACASA-N -1 1 286.331 2.639 20 0 CFADMM Cc1noc(C)c1[C@@H](C)NCc1cc(C(=O)[O-])cs1 ZINC000095005468 619176613 /nfs/dbraw/zinc/17/66/13/619176613.db2.gz YWYXUEJACFXTAR-SSDOTTSWSA-N -1 1 280.349 2.902 20 0 CFADMM COCc1nc(N2C[C@H](C)C[C@@H]2c2ccccc2)cc(=O)[n-]1 ZINC000893844724 619227992 /nfs/dbraw/zinc/22/79/92/619227992.db2.gz IRXKIVXIQHHIQN-TZMCWYRMSA-N -1 1 299.374 2.916 20 0 CFADMM CCC1(C)CN(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC000927788268 619250588 /nfs/dbraw/zinc/25/05/88/619250588.db2.gz GYCRTQGCZAFPMD-UHFFFAOYSA-N -1 1 298.333 2.654 20 0 CFADMM C[C@@H]1CNc2c([N-]c3nc4ccccc4o3)cnn2C1 ZINC000894952563 619518014 /nfs/dbraw/zinc/51/80/14/619518014.db2.gz AFCYHAWBBRDSKD-SECBINFHSA-N -1 1 269.308 2.830 20 0 CFADMM COCc1nc(NCc2ccc(C(C)(C)C)o2)cc(=O)[n-]1 ZINC000895022351 619529109 /nfs/dbraw/zinc/52/91/09/619529109.db2.gz VPOJZLHYGLDOHL-UHFFFAOYSA-N -1 1 291.351 2.831 20 0 CFADMM O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1c(F)ccc([O-])c1F ZINC000889604303 619536066 /nfs/dbraw/zinc/53/60/66/619536066.db2.gz COXCPJVDRHTVIM-KHQFGBGNSA-N -1 1 267.275 2.589 20 0 CFADMM FC(F)c1nnc([N-][C@H](c2ccccn2)C2CC2)o1 ZINC000895795119 619610080 /nfs/dbraw/zinc/61/00/80/619610080.db2.gz BRFZZQTZEWJUSC-VIFPVBQESA-N -1 1 266.251 2.965 20 0 CFADMM O=C(C[C@H]1CCc2ccccc21)[N-]OCc1ccccn1 ZINC000909536403 619833384 /nfs/dbraw/zinc/83/33/84/619833384.db2.gz MRDGZGRIIMYQQL-CQSZACIVSA-N -1 1 282.343 2.750 20 0 CFADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC(F)(F)C1 ZINC000897315209 619983306 /nfs/dbraw/zinc/98/33/06/619983306.db2.gz FYTBZOXCFZIZEV-UHFFFAOYSA-N -1 1 293.269 2.732 20 0 CFADMM CCc1noc(C)c1CNCc1cccc(C(=O)[O-])c1 ZINC000262929488 620089638 /nfs/dbraw/zinc/08/96/38/620089638.db2.gz AAJLZHROYXHCMV-UHFFFAOYSA-N -1 1 274.320 2.533 20 0 CFADMM CC(C)C[C@H](C(=O)[N-]OC[C@H]1CCOC1)c1ccccc1 ZINC000788273595 620102883 /nfs/dbraw/zinc/10/28/83/620102883.db2.gz LQZYGJSKUHPDIK-HOCLYGCPSA-N -1 1 291.391 2.901 20 0 CFADMM O=S(=O)([N-]CCC1CCC1)c1ccc(C(F)F)o1 ZINC000866945388 620106760 /nfs/dbraw/zinc/10/67/60/620106760.db2.gz FVZZZOYUOHLFRS-UHFFFAOYSA-N -1 1 279.308 2.686 20 0 CFADMM Cc1cc(F)c(CN2CC[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000263380291 620138395 /nfs/dbraw/zinc/13/83/95/620138395.db2.gz BLUCUBICFUNYQF-VIFPVBQESA-N -1 1 271.719 2.694 20 0 CFADMM CCCc1nc(C)c(CNCc2ccc(C(=O)[O-])cc2)o1 ZINC000263390559 620138501 /nfs/dbraw/zinc/13/85/01/620138501.db2.gz FCNRRFKVZWEBRP-UHFFFAOYSA-N -1 1 288.347 2.924 20 0 CFADMM O=C([O-])C1CN(Cc2ccccc2OC2CCCC2)C1 ZINC000263466632 620148045 /nfs/dbraw/zinc/14/80/45/620148045.db2.gz CSKYKBJEMVASLF-UHFFFAOYSA-N -1 1 275.348 2.524 20 0 CFADMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2Cl)c(=O)o1 ZINC000003543673 620150425 /nfs/dbraw/zinc/15/04/25/620150425.db2.gz WWYSADQHJLXYCR-PSKZRQQASA-N -1 1 290.702 2.568 20 0 CFADMM Cc1cccc(CO[N-]C(=O)[C@@H](C)c2ccccc2)n1 ZINC000898932684 620507568 /nfs/dbraw/zinc/50/75/68/620507568.db2.gz RJUJXYVPHLNDDL-ZDUSSCGKSA-N -1 1 270.332 2.742 20 0 CFADMM Cc1[n-]n(-c2nc3ccncc3s2)c(=O)c1C(C)C ZINC000899356521 620548673 /nfs/dbraw/zinc/54/86/73/620548673.db2.gz LBHUTUGVRMAOJW-NSHDSACASA-N -1 1 274.349 2.686 20 0 CFADMM Cc1[n-]n(-c2ncnc3ccsc32)c(=O)c1C(C)C ZINC000899349188 620549665 /nfs/dbraw/zinc/54/96/65/620549665.db2.gz XKODIZKTVKTXRZ-SNVBAGLBSA-N -1 1 274.349 2.686 20 0 CFADMM C[C@@H]1CC(n2[n-]c3c(c2=O)CCc2ccccc2-3)C[C@@H](C)O1 ZINC000899359659 620552041 /nfs/dbraw/zinc/55/20/41/620552041.db2.gz DWVMUSDKBRSNIJ-XHBSWPGZSA-N -1 1 298.386 2.751 20 0 CFADMM Cc1[n-]n(-c2cc(F)ccc2F)c(=O)c1C1CC1 ZINC000899362406 620553294 /nfs/dbraw/zinc/55/32/94/620553294.db2.gz SJHDHPQQBFAFNB-LBPRGKRZSA-N -1 1 250.248 2.714 20 0 CFADMM CC1(C)CO[C@@H](CCNC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000899455731 620571352 /nfs/dbraw/zinc/57/13/52/620571352.db2.gz HMIMULWDRWLCAW-VIFPVBQESA-N -1 1 299.317 2.605 20 0 CFADMM 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CFADMM O=C([O-])[C@]1(F)CCN(Cc2ccc(C(F)F)cc2)C1 ZINC000901515105 620852813 /nfs/dbraw/zinc/85/28/13/620852813.db2.gz LEALKHRKQSGJKO-ZDUSSCGKSA-N -1 1 273.254 2.623 20 0 CFADMM COC/C(C)=C\CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000901549847 620862144 /nfs/dbraw/zinc/86/21/44/620862144.db2.gz TXIAVGILAOGMRX-CLTKARDFSA-N -1 1 276.308 2.805 20 0 CFADMM COCCN(CC(=O)[O-])Cc1cccc(CC2CCC2)c1 ZINC000901587023 620863115 /nfs/dbraw/zinc/86/31/15/620863115.db2.gz UHJYGMMZSNSNLT-UHFFFAOYSA-N -1 1 291.391 2.562 20 0 CFADMM COCCCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901618701 620869885 /nfs/dbraw/zinc/86/98/85/620869885.db2.gz IKVCWAUWVDIJBR-UHFFFAOYSA-N -1 1 276.361 2.978 20 0 CFADMM O=C([O-])CC[C@H](NCc1cc2n(n1)CCC2)c1ccccc1 ZINC000901645819 620880273 /nfs/dbraw/zinc/88/02/73/620880273.db2.gz BVOITPAVUQRSRN-INIZCTEOSA-N -1 1 299.374 2.525 20 0 CFADMM CCc1ccc(CN[C@H](C[C@H](C)CC)C(=O)[O-])o1 ZINC000901672011 620889095 /nfs/dbraw/zinc/88/90/95/620889095.db2.gz IIBCUOXYUMZRPH-ZWNOBZJWSA-N -1 1 253.342 2.821 20 0 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283.368 2.675 20 0 CFADMM CC(C)(C)CC[C@](C)(NCc1ccc(CO)o1)C(=O)[O-] ZINC000904011083 621506629 /nfs/dbraw/zinc/50/66/29/621506629.db2.gz XUYLPQNHWFPBEE-HNNXBMFYSA-N -1 1 283.368 2.531 20 0 CFADMM Cc1cccc([C@H](CC(=O)[O-])NCc2cncs2)c1 ZINC000904044520 621511106 /nfs/dbraw/zinc/51/11/06/621511106.db2.gz BTMPZGXTQGWYLY-ZDUSSCGKSA-N -1 1 276.361 2.757 20 0 CFADMM Cc1cccc([C@H](CC(=O)[O-])NCc2ccco2)c1 ZINC000904045671 621511298 /nfs/dbraw/zinc/51/12/98/621511298.db2.gz MPTDLZVKXGJWIL-AWEZNQCLSA-N -1 1 259.305 2.894 20 0 CFADMM Cc1cnccc1CN[C@@H](CC(=O)[O-])c1ccccc1F ZINC000904046212 621511349 /nfs/dbraw/zinc/51/13/49/621511349.db2.gz XMRNLFJYUGFQPF-HNNXBMFYSA-N -1 1 288.322 2.835 20 0 CFADMM CCCc1ccc(CN[C@H](C(=O)[O-])C2(OC)CCC2)s1 ZINC000904050207 621511735 /nfs/dbraw/zinc/51/17/35/621511735.db2.gz KXMHETJQOVNBIN-CYBMUJFWSA-N -1 1 297.420 2.813 20 0 CFADMM CC[C@H](NCc1cc(C)ccc1C)c1nc(C(=O)[O-])c[nH]1 ZINC000904066158 621514683 /nfs/dbraw/zinc/51/46/83/621514683.db2.gz 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ZINC000908564291 622246171 /nfs/dbraw/zinc/24/61/71/622246171.db2.gz JNUAJEQWHUSBIC-LLVKDONJSA-N -1 1 289.379 2.924 20 0 CFADMM C[C@H]1C[C@@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908710886 622267668 /nfs/dbraw/zinc/26/76/68/622267668.db2.gz VZJAJYWJNVGDCS-BQBZGAKWSA-N -1 1 270.126 2.749 20 0 CFADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCCCCCCC1 ZINC000909201092 622325555 /nfs/dbraw/zinc/32/55/55/622325555.db2.gz AATLDQISTDEKOH-UHFFFAOYSA-N -1 1 289.379 2.856 20 0 CFADMM CC[C@H](SC)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909984645 622379315 /nfs/dbraw/zinc/37/93/15/622379315.db2.gz RDEGLZZJEJFBJD-JTQLQIEISA-N -1 1 261.293 2.751 20 0 CFADMM CC(C)c1nn(C)cc1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909974975 622378403 /nfs/dbraw/zinc/37/84/03/622378403.db2.gz NOUVGEPBJOBOCN-UHFFFAOYSA-N -1 1 295.289 2.780 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CCCCS1 ZINC000909985900 622379808 /nfs/dbraw/zinc/37/98/08/622379808.db2.gz SGBOTNKFPXTMPH-LLVKDONJSA-N -1 1 273.304 2.895 20 0 CFADMM CO[C@H]1CCCC[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987466 622380515 /nfs/dbraw/zinc/38/05/15/622380515.db2.gz VWVFCHORXSBBDF-OQPBUACISA-N -1 1 285.290 2.814 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)c1onc2c1CCCC2 ZINC000909987344 622380575 /nfs/dbraw/zinc/38/05/75/622380575.db2.gz QRCAPCWBKLEFNA-UHFFFAOYSA-N -1 1 294.257 2.790 20 0 CFADMM CC1=C(C(=O)Nc2cc([O-])c(F)cc2F)SCCO1 ZINC000909986178 622380621 /nfs/dbraw/zinc/38/06/21/622380621.db2.gz BTSDYCWPKUMNES-UHFFFAOYSA-N -1 1 287.287 2.604 20 0 CFADMM O=C(C[C@@H]1CCCCO1)Nc1cc([O-])c(F)cc1F ZINC000909982053 622381368 /nfs/dbraw/zinc/38/13/68/622381368.db2.gz CUHWDVRLEQZOFC-QMMMGPOBSA-N -1 1 271.263 2.568 20 0 CFADMM O=C(CCCC(=O)C1CC1)Nc1cc([O-])c(F)cc1F ZINC000909987784 622382091 /nfs/dbraw/zinc/38/20/91/622382091.db2.gz HVBSQLKQQDXYIP-UHFFFAOYSA-N -1 1 283.274 2.758 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CC=CCC1 ZINC000910979604 622493730 /nfs/dbraw/zinc/49/37/30/622493730.db2.gz INNLRODOJKTGSE-MRVPVSSYSA-N -1 1 253.248 2.965 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CCCCS1 ZINC000910981972 622494794 /nfs/dbraw/zinc/49/47/94/622494794.db2.gz GYYVNJOVSKFCQH-JTQLQIEISA-N -1 1 273.304 2.895 20 0 CFADMM C[C@@H]1C[C@@H](C(=O)Nc2cc(F)cc(F)c2[O-])CCC1=O ZINC000910984556 622495553 /nfs/dbraw/zinc/49/55/53/622495553.db2.gz XRGOQXZXWVHITM-SFYZADRCSA-N -1 1 283.274 2.614 20 0 CFADMM CC(C)[C@@H]1CCO[C@@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910987195 622495788 /nfs/dbraw/zinc/49/57/88/622495788.db2.gz PMKBMHAFXQKSBU-ZANVPECISA-N -1 1 285.290 2.670 20 0 CFADMM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910986845 622496163 /nfs/dbraw/zinc/49/61/63/622496163.db2.gz OODLFVKFISPCJR-LDYMZIIASA-N -1 1 285.290 2.813 20 0 CFADMM CC1=C(C(=O)Nc2cc(F)cc(F)c2[O-])SCCO1 ZINC000910992890 622496545 /nfs/dbraw/zinc/49/65/45/622496545.db2.gz PARKNJUHPQABQL-UHFFFAOYSA-N -1 1 287.287 2.604 20 0 CFADMM CO[C@H]1CCCC[C@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910990742 622496925 /nfs/dbraw/zinc/49/69/25/622496925.db2.gz ZYIIWLHNNOXYDU-SKDRFNHKSA-N -1 1 285.290 2.814 20 0 CFADMM O=C(N[C@@H]1C[C@H]1C1CCC1)c1c([O-])cccc1Cl ZINC000819631123 622539882 /nfs/dbraw/zinc/53/98/82/622539882.db2.gz VCSPFRHPUOJBPU-GXSJLCMTSA-N -1 1 265.740 2.964 20 0 CFADMM CN(C[Si](C)(C)C)C(=O)c1c(F)ccc([O-])c1F ZINC000911724855 622540885 /nfs/dbraw/zinc/54/08/85/622540885.db2.gz WLINIVDQGPPGNL-UHFFFAOYSA-N -1 1 273.355 2.620 20 0 CFADMM COc1cccc(S([O-])=CC(=O)OCCCC(C)C)c1 ZINC000819950425 622581562 /nfs/dbraw/zinc/58/15/62/622581562.db2.gz QJPBLDXQPRZWOH-FQEVSTJZSA-N -1 1 298.404 2.782 20 0 CFADMM COc1cccc(S([O-])=CC(=O)OCC2CCCC2)c1 ZINC000819958069 622584392 /nfs/dbraw/zinc/58/43/92/622584392.db2.gz NSEYDSJZWKPPNF-FQEVSTJZSA-N -1 1 296.388 2.536 20 0 CFADMM COc1cccc(S([O-])=CC(=O)OC2(C)CCCC2)c1 ZINC000820251027 622635916 /nfs/dbraw/zinc/63/59/16/622635916.db2.gz MRBZWNQBTSHICC-HXUWFJFHSA-N -1 1 296.388 2.679 20 0 CFADMM CC[C@@H](O)[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000912128541 622638155 /nfs/dbraw/zinc/63/81/55/622638155.db2.gz JSDLNMIMWYTOJS-CHWSQXEVSA-N -1 1 297.782 2.811 20 0 CFADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)c1cccc(O)c1 ZINC000820280052 622641693 /nfs/dbraw/zinc/64/16/93/622641693.db2.gz XCYPSBDBRMFQFN-MNOVXSKESA-N -1 1 251.326 2.590 20 0 CFADMM O=C(C(=O)N1CC=CC12CCCCC2)c1ccc([O-])cc1 ZINC000912474762 622724278 /nfs/dbraw/zinc/72/42/78/622724278.db2.gz RZQUQGRHJVOXBX-UHFFFAOYSA-N -1 1 285.343 2.676 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@H]2CCC(C)(C)C2)[n-]1 ZINC000820684658 622736484 /nfs/dbraw/zinc/73/64/84/622736484.db2.gz ALJSOBTWSPCCDZ-VIFPVBQESA-N -1 1 265.309 2.537 20 0 CFADMM CCOc1cccc(C=Cc2ncc(OC)c(=O)[n-]2)c1 ZINC000821007705 622818300 /nfs/dbraw/zinc/81/83/00/622818300.db2.gz KIUYZTMLTCFZDV-BQYQJAHWSA-N -1 1 272.304 2.760 20 0 CFADMM CCc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)cc1 ZINC000821007330 622818586 /nfs/dbraw/zinc/81/85/86/622818586.db2.gz GTUJTROSVGJXNM-HJWRWDBZSA-N -1 1 256.305 2.924 20 0 CFADMM COc1cnc(C=Cc2ccc(C)c(C)c2)[n-]c1=O ZINC000821007820 622818947 /nfs/dbraw/zinc/81/89/47/622818947.db2.gz LEQOVNQGEVNQGM-SREVYHEPSA-N -1 1 256.305 2.978 20 0 CFADMM COc1cnc(C=Cc2ccc(F)c(F)c2)[n-]c1=O ZINC000821012599 622820166 /nfs/dbraw/zinc/82/01/66/622820166.db2.gz KZJUBHQSTFCABF-HWKANZROSA-N -1 1 264.231 2.639 20 0 CFADMM CCn1nc(C2CC2)cc1C(=O)Nc1cccc(F)c1[O-] ZINC000913159094 622839809 /nfs/dbraw/zinc/83/98/09/622839809.db2.gz NTVLNKDCHAAHCV-UHFFFAOYSA-N -1 1 289.310 2.877 20 0 CFADMM COc1cccc(S([O-])=CC(=O)O[C@@H]2CCC2(C)C)c1 ZINC000821828683 622986232 /nfs/dbraw/zinc/98/62/32/622986232.db2.gz NQGIRYIJDLWKLC-XCLFUZPHSA-N -1 1 296.388 2.535 20 0 CFADMM CC(C)(C)c1nc(C(=O)[N-]c2ncn(C(C)(C)C)n2)co1 ZINC000821869131 622997256 /nfs/dbraw/zinc/99/72/56/622997256.db2.gz ZDFYOIYYIOZMLY-UHFFFAOYSA-N -1 1 291.355 2.571 20 0 CFADMM CCCCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000057710131 623008877 /nfs/dbraw/zinc/00/88/77/623008877.db2.gz KTRUPXCJOGYVNI-UHFFFAOYSA-N -1 1 295.326 2.963 20 0 CFADMM O=C(NOCC(F)(F)F)c1cc2ccccc2cc1[O-] ZINC000225301776 623034266 /nfs/dbraw/zinc/03/42/66/623034266.db2.gz QMJVRWRCUYKCDL-UHFFFAOYSA-N -1 1 285.221 2.769 20 0 CFADMM COC(=O)Nc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000046521012 623085148 /nfs/dbraw/zinc/08/51/48/623085148.db2.gz DWWITUXDMSZKQM-UHFFFAOYSA-N -1 1 286.287 2.823 20 0 CFADMM O=C(C[C@@H]1CC[C@H](C2CC2)O1)Nc1cc(F)cc(F)c1[O-] ZINC000822971265 623212212 /nfs/dbraw/zinc/21/22/12/623212212.db2.gz BJSMWHQWLQIUPU-GXFFZTMASA-N -1 1 297.301 2.957 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@]12C[C@H]1COC21CCC1 ZINC000822976997 623213052 /nfs/dbraw/zinc/21/30/52/623213052.db2.gz JKWUSUXCNPYMJI-AYVTZFPOSA-N -1 1 295.285 2.568 20 0 CFADMM Cc1nn(C)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000172764421 623308291 /nfs/dbraw/zinc/30/82/91/623308291.db2.gz LGJRAJVVPSOREW-UHFFFAOYSA-N -1 1 281.315 2.840 20 0 CFADMM Cc1oc(CNCc2cccs2)cc1C(=O)[O-] ZINC000232448105 623411108 /nfs/dbraw/zinc/41/11/08/623411108.db2.gz ACIJYBFJQBOMRD-UHFFFAOYSA-N -1 1 251.307 2.638 20 0 CFADMM O=C([O-])c1ccoc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000088431511 623466841 /nfs/dbraw/zinc/46/68/41/623466841.db2.gz SBKOBVMXIJWOFT-QMMMGPOBSA-N -1 1 277.242 2.752 20 0 CFADMM O=C([N-]CCCSCc1ccco1)C(F)(F)F ZINC000151720853 623559070 /nfs/dbraw/zinc/55/90/70/623559070.db2.gz MOJJGBCJCWHCRW-UHFFFAOYSA-N -1 1 267.272 2.581 20 0 CFADMM CCCCC[C@H](CC)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913744413 623574023 /nfs/dbraw/zinc/57/40/23/623574023.db2.gz MYGMNAUGYARJLH-LBPRGKRZSA-N -1 1 293.415 2.512 20 0 CFADMM C[C@@H](C(=O)[N-]OCc1cccnc1)c1cccc(F)c1 ZINC000152348580 623682928 /nfs/dbraw/zinc/68/29/28/623682928.db2.gz TVPBXHRPRUOPPQ-LLVKDONJSA-N -1 1 274.295 2.572 20 0 CFADMM C[C@]1(CC[N-]C(=O)C(F)(F)C(F)F)CC1(Cl)Cl ZINC000836919699 624071937 /nfs/dbraw/zinc/07/19/37/624071937.db2.gz QRMYDPQDDFURAT-ZETCQYMHSA-N -1 1 296.091 2.977 20 0 CFADMM CC(C)Oc1ccccc1C=C1SC(=O)[N-]C1=O ZINC000214318314 624325389 /nfs/dbraw/zinc/32/53/89/624325389.db2.gz YBMNTXCYSKKBAF-YRNVUSSQSA-N -1 1 263.318 2.798 20 0 CFADMM COC(=O)c1c[n-]c(SC2CC3(CCC3)C2)n1 ZINC000917496185 624349338 /nfs/dbraw/zinc/34/93/38/624349338.db2.gz LJQWFBGIKLPGHA-UHFFFAOYSA-N -1 1 252.339 2.621 20 0 CFADMM Cc1cnc(SC[C@H]2CC[C@@H](C3CC3)O2)[n-]c1=O ZINC000917777463 624384384 /nfs/dbraw/zinc/38/43/84/624384384.db2.gz IQJSRPOFEWRAAG-MNOVXSKESA-N -1 1 266.366 2.540 20 0 CFADMM CCc1nc(S[C@H](C)c2ncccn2)[n-]c(=O)c1C ZINC000917843499 624390180 /nfs/dbraw/zinc/39/01/80/624390180.db2.gz QITQJBBTKDJOBI-SECBINFHSA-N -1 1 276.365 2.696 20 0 CFADMM CC1=NO[C@@H](CSc2nc(C)c(C3CC3)c(=O)[n-]2)C1 ZINC000918464015 624437198 /nfs/dbraw/zinc/43/71/98/624437198.db2.gz VQATYQDSQBGUTL-SNVBAGLBSA-N -1 1 279.365 2.625 20 0 CFADMM O=S(=O)([N-]c1cccc2c1OCO2)C1=CCCCC1 ZINC000829906714 624580467 /nfs/dbraw/zinc/58/04/67/624580467.db2.gz QDESQDONUWWTJF-UHFFFAOYSA-N -1 1 281.333 2.615 20 0 CFADMM O=C(NC1([C@@H]2CCCCO2)CCC1)c1c([O-])cccc1F ZINC000830166503 624652349 /nfs/dbraw/zinc/65/23/49/624652349.db2.gz JKFFKDGMXQWIAS-ZDUSSCGKSA-N -1 1 293.338 2.753 20 0 CFADMM CCc1ccc([C@@H]2C[C@H](C)CCN2CC(=O)[O-])o1 ZINC000830237047 624682058 /nfs/dbraw/zinc/68/20/58/624682058.db2.gz GITNRFFIKYQAFR-PWSUYJOCSA-N -1 1 251.326 2.700 20 0 CFADMM Cc1cncc([C@H]2CCCN2C(=O)c2ncc(C)cc2[O-])c1 ZINC000830464565 624752088 /nfs/dbraw/zinc/75/20/88/624752088.db2.gz MGHGJVKDSMGPGB-CQSZACIVSA-N -1 1 297.358 2.776 20 0 CFADMM CC/C(C)=C/C(=O)Nc1nc(Br)ccc1[O-] ZINC000830858511 624903538 /nfs/dbraw/zinc/90/35/38/624903538.db2.gz AWJANWHSWICSFK-VOTSOKGWSA-N -1 1 285.141 2.845 20 0 CFADMM CCCc1cc(=O)[n-]c(SCOC(=O)C(C)(C)C)n1 ZINC000179887548 624982864 /nfs/dbraw/zinc/98/28/64/624982864.db2.gz NMSJNDCZODSUPQ-UHFFFAOYSA-N -1 1 284.381 2.774 20 0 CFADMM CON(Cc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000180849375 625043130 /nfs/dbraw/zinc/04/31/30/625043130.db2.gz VCHQZYQLGUUYDF-UHFFFAOYSA-N -1 1 275.279 2.735 20 0 CFADMM C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc([O-])c2F)CCS1 ZINC000834650426 625756328 /nfs/dbraw/zinc/75/63/28/625756328.db2.gz PFZPHPMGANUVMV-SFYZADRCSA-N -1 1 287.331 2.684 20 0 CFADMM C[C@@]1(C(=O)NCc2ccc([O-])c(Cl)c2)CCCCO1 ZINC000834821593 625878532 /nfs/dbraw/zinc/87/85/32/625878532.db2.gz CQDSMDWAJIOOQJ-AWEZNQCLSA-N -1 1 283.755 2.621 20 0 CFADMM CO[C@@H]1CCCC[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834823651 625883006 /nfs/dbraw/zinc/88/30/06/625883006.db2.gz YVONHYINKCQBFX-BXUZGUMPSA-N -1 1 297.782 2.867 20 0 CFADMM CCCCC[C@@H](O)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834822474 625883052 /nfs/dbraw/zinc/88/30/52/625883052.db2.gz OOGZILMFPOHZSO-CYBMUJFWSA-N -1 1 285.771 2.603 20 0 CFADMM O=C(NCc1ccc([O-])c(Cl)c1)c1ncoc1C1CC1 ZINC000834822808 625883351 /nfs/dbraw/zinc/88/33/51/625883351.db2.gz QMMXYAIHCRYZLD-UHFFFAOYSA-N -1 1 292.722 2.841 20 0 CFADMM CC1=C(C(=O)NCc2ccc([O-])c(Cl)c2)SCCO1 ZINC000834826541 625884965 /nfs/dbraw/zinc/88/49/65/625884965.db2.gz SYBONKNVZWQDLD-UHFFFAOYSA-N -1 1 299.779 2.657 20 0 CFADMM CC[C@H](C)[C@@H](OC)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825510 625884999 /nfs/dbraw/zinc/88/49/99/625884999.db2.gz LTQKXVHDZMLISO-TVQRCGJNSA-N -1 1 285.771 2.723 20 0 CFADMM O=C(CCCn1cccc1)NCc1ccc([O-])c(Cl)c1 ZINC000834829258 625889003 /nfs/dbraw/zinc/88/90/03/625889003.db2.gz PZCKQZSIJRHNRY-UHFFFAOYSA-N -1 1 292.766 2.944 20 0 CFADMM O=C(CSC(F)(F)F)NCc1ccc([O-])c(Cl)c1 ZINC000834833927 625893331 /nfs/dbraw/zinc/89/33/31/625893331.db2.gz QAUOZMRUVQDWJY-UHFFFAOYSA-N -1 1 299.701 2.915 20 0 CFADMM O=C(c1cncc([O-])c1)N1CC[C@@]2(CCc3ccccc32)C1 ZINC000834848994 625901877 /nfs/dbraw/zinc/90/18/77/625901877.db2.gz CMCDEILEQXXIIE-SFHVURJKSA-N -1 1 294.354 2.517 20 0 CFADMM O=C(N[C@@H]1CCOC12CCCCC2)c1ccc([O-])c(F)c1 ZINC000888308314 625974780 /nfs/dbraw/zinc/97/47/80/625974780.db2.gz XOZNNZZUJRFBRB-CQSZACIVSA-N -1 1 293.338 2.753 20 0 CFADMM Cc1ccc(CS(=O)(=O)[N-]c2cccc(F)n2)cc1F ZINC000186612880 626387814 /nfs/dbraw/zinc/38/78/14/626387814.db2.gz GQMDHFMWYRNBJK-UHFFFAOYSA-N -1 1 298.314 2.610 20 0 CFADMM Cc1ncsc1C(=O)[N-]c1c(C)onc1OC(F)F ZINC000788110368 626502253 /nfs/dbraw/zinc/50/22/53/626502253.db2.gz ILXWNSPDPQKSJY-UHFFFAOYSA-N -1 1 289.263 2.602 20 0 CFADMM CCOC1CC2(C[C@@H]2C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000867006584 626529636 /nfs/dbraw/zinc/52/96/36/626529636.db2.gz MJYAEIGMMRCYII-LOIXOFCESA-N -1 1 279.311 2.675 20 0 CFADMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)c1ccncc1 ZINC000757707571 626559874 /nfs/dbraw/zinc/55/98/74/626559874.db2.gz ZIAUQMWNCBNPQS-MRVPVSSYSA-N -1 1 279.242 2.983 20 0 CFADMM O=C([N-]OCC(F)F)C1(Cc2ccc(Cl)cc2)CC1 ZINC000759329469 626645600 /nfs/dbraw/zinc/64/56/00/626645600.db2.gz WJFYHNYTYVTQSB-UHFFFAOYSA-N -1 1 289.709 2.976 20 0 CFADMM Cc1ccc(C(=O)CCC(=O)[N-]OCC(F)F)cc1C ZINC000759333617 626646169 /nfs/dbraw/zinc/64/61/69/626646169.db2.gz ALIYSKQWCDUFLO-UHFFFAOYSA-N -1 1 285.290 2.579 20 0 CFADMM Cc1cccc2c(CCC(=O)[N-]OCC(F)F)c[nH]c21 ZINC000759353444 626649344 /nfs/dbraw/zinc/64/93/44/626649344.db2.gz ZOTCLYIPMZCZAE-UHFFFAOYSA-N -1 1 282.290 2.722 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CC23CCC3)c1 ZINC000759973480 626705624 /nfs/dbraw/zinc/70/56/24/626705624.db2.gz CGUVDSYUJJWJCK-CQSZACIVSA-N -1 1 288.343 2.871 20 0 CFADMM O=C([N-]Cc1ccc(F)cn1)C(F)(F)c1ccc(F)cc1 ZINC000764099610 627038235 /nfs/dbraw/zinc/03/82/35/627038235.db2.gz SOINFAPQHDLOHO-UHFFFAOYSA-N -1 1 298.239 2.768 20 0 CFADMM C[C@H](CC(=O)[N-]OCC(F)(F)F)c1ccccc1 ZINC000766774824 627220240 /nfs/dbraw/zinc/22/02/40/627220240.db2.gz QVPOSXPBWWKNNL-SECBINFHSA-N -1 1 261.243 2.790 20 0 CFADMM O=C(NC(C1CC1)C1CC1)c1c([O-])cccc1Cl ZINC000769649417 627464035 /nfs/dbraw/zinc/46/40/35/627464035.db2.gz VCUVYKHGCPXNPT-UHFFFAOYSA-N -1 1 265.740 2.964 20 0 CFADMM C[C@@H](C1CC1)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769688040 627465844 /nfs/dbraw/zinc/46/58/44/627465844.db2.gz CGFWVTFUIXSTSF-QMMMGPOBSA-N -1 1 253.729 2.916 20 0 CFADMM C[C@@H]1C[C@@H](C)N(C(=O)c2c([O-])cccc2Cl)C1 ZINC000769911526 627486904 /nfs/dbraw/zinc/48/69/04/627486904.db2.gz PNEOVBJESPGDNP-RKDXNWHRSA-N -1 1 253.729 2.916 20 0 CFADMM CC[C@H](NC(=O)c1c([O-])cccc1Cl)C1CCOCC1 ZINC000769937776 627489857 /nfs/dbraw/zinc/48/98/57/627489857.db2.gz IGUNRYUHDPBVBS-LBPRGKRZSA-N -1 1 297.782 2.981 20 0 CFADMM Cc1nc(Cc2nc(-c3ccc([O-])c(F)c3)no2)cs1 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630400834 /nfs/dbraw/zinc/40/08/34/630400834.db2.gz RNCYHDYLEGIGJS-UHFFFAOYSA-N -1 1 261.655 2.573 20 0 CFADMM O=C(O[C@H]1C=CCCC1)c1nn(-c2ccccc2)cc1[O-] ZINC000801202808 630433590 /nfs/dbraw/zinc/43/35/90/630433590.db2.gz BZZZMYGBPBADSK-ZDUSSCGKSA-N -1 1 284.315 2.843 20 0 CFADMM Cc1ccc(-n2cc([O-])c(C(=O)OC/C=C/Cl)n2)cc1 ZINC000801368287 630442602 /nfs/dbraw/zinc/44/26/02/630442602.db2.gz ZYMHAEPDXLEERK-FARCUNLSSA-N -1 1 292.722 2.796 20 0 CFADMM CCCOC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801359939 630442708 /nfs/dbraw/zinc/44/27/08/630442708.db2.gz PATNRLRKKAKRLW-UHFFFAOYSA-N -1 1 280.711 2.798 20 0 CFADMM Cc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)c(Cl)n1 ZINC000852731820 634816611 /nfs/dbraw/zinc/81/66/11/634816611.db2.gz MHVFATZSGNQXMB-JOYOIKCWSA-N -1 1 282.771 2.586 20 0 CFADMM CC1(C)SC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000802359284 630528715 /nfs/dbraw/zinc/52/87/15/630528715.db2.gz MSWJMPBWHTVNPJ-SECBINFHSA-N -1 1 271.769 2.669 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc2[nH]cnc2c1 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CFADMM CCCC(=O)c1ccc([O-])cc1O[C@H]1C=C(C)OC(=O)C1 ZINC001233650533 778024852 /nfs/dbraw/zinc/02/48/52/778024852.db2.gz MICIVMLPEYRNQC-LBPRGKRZSA-N -1 1 290.315 2.973 20 0 CFADMM COC(=O)c1nc[n-]c(=O)c1O[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001233758575 778065397 /nfs/dbraw/zinc/06/53/97/778065397.db2.gz LIYRSHMCXOMUNX-NXEZZACHSA-N -1 1 294.351 2.562 20 0 CFADMM CCC[C@@H]1CCCC[C@@H]1Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233758521 778066095 /nfs/dbraw/zinc/06/60/95/778066095.db2.gz KWERVMZXGXGNOG-MNOVXSKESA-N -1 1 294.351 2.707 20 0 CFADMM COc1cc(F)c(C(=O)[N-]c2conc2C)c(F)c1 ZINC001277819083 778116691 /nfs/dbraw/zinc/11/66/91/778116691.db2.gz FELLAHQBKRJUPG-UHFFFAOYSA-N -1 1 268.219 2.522 20 0 CFADMM COC(=O)c1cccc2[n-]c(O[C@@H]3CCC(F)(F)C3)nc21 ZINC001234045600 778151973 /nfs/dbraw/zinc/15/19/73/778151973.db2.gz UUVXAZCLADNLQQ-MRVPVSSYSA-N -1 1 296.273 2.916 20 0 CFADMM CCCOC[C@H](C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234045168 778151995 /nfs/dbraw/zinc/15/19/95/778151995.db2.gz QZQPILZSSAOUPB-JTQLQIEISA-N -1 1 292.335 2.543 20 0 CFADMM CCCOC[C@H](C)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234045168 778151996 /nfs/dbraw/zinc/15/19/96/778151996.db2.gz QZQPILZSSAOUPB-JTQLQIEISA-N -1 1 292.335 2.543 20 0 CFADMM COC(=O)c1nc(C)[n-]c(=O)c1OC1CCC(C)(C)CC1 ZINC001234558150 778252600 /nfs/dbraw/zinc/25/26/00/778252600.db2.gz SEXAUIUVNFYLDQ-UHFFFAOYSA-N -1 1 294.351 2.625 20 0 CFADMM CCC[C@@H](Oc1c(=O)[n-]c(C)nc1C(=O)OC)C(C)(C)C ZINC001234565294 778253144 /nfs/dbraw/zinc/25/31/44/778253144.db2.gz VDFQMCYLEDRBCB-SNVBAGLBSA-N -1 1 296.367 2.871 20 0 CFADMM Cc1nc(O[C@H](C)C2=CC=C[CH]2)c(Br)c(=O)[nH]1 ZINC001234567045 778253256 /nfs/dbraw/zinc/25/32/56/778253256.db2.gz ASVSLVKFRXZOQF-SSDOTTSWSA-N -1 1 296.144 2.721 20 0 CFADMM COC(=O)c1nc(C)[n-]c(=O)c1O[C@H]1CCCC(C)(C)C1 ZINC001234564260 778253484 /nfs/dbraw/zinc/25/34/84/778253484.db2.gz IBMSIXLQUHJTMI-JTQLQIEISA-N -1 1 294.351 2.625 20 0 CFADMM COC(=O)c1nc(C)[n-]c(=O)c1O[C@H]1CCC=CCCC1 ZINC001234564555 778253987 /nfs/dbraw/zinc/25/39/87/778253987.db2.gz LQTHCZAWRJIQLU-NSHDSACASA-N -1 1 292.335 2.545 20 0 CFADMM CC(C)CC[C@H](C)Oc1c(C(N)=O)nc(C(C)C)[n-]c1=O ZINC001234564295 778254062 /nfs/dbraw/zinc/25/40/62/778254062.db2.gz BVFHKEZQRUUQTH-JTQLQIEISA-N -1 1 295.383 2.608 20 0 CFADMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@@H]1CCC[C@H](C)C1 ZINC001234607336 778263699 /nfs/dbraw/zinc/26/36/99/778263699.db2.gz BVFRLRGMDKPZST-DTWKUNHWSA-N -1 1 283.299 2.670 20 0 CFADMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001234606697 778263866 /nfs/dbraw/zinc/26/38/66/778263866.db2.gz JZDJHMSKXVTZTE-VDDIYKPWSA-N -1 1 297.326 2.916 20 0 CFADMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@H]1CCC[C@@H](C)C1 ZINC001234606439 778264159 /nfs/dbraw/zinc/26/41/59/778264159.db2.gz BVFRLRGMDKPZST-BDAKNGLRSA-N -1 1 283.299 2.670 20 0 CFADMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@H]1CCC=CCCC1 ZINC001234608836 778264237 /nfs/dbraw/zinc/26/42/37/778264237.db2.gz MWAPVCIFNKXFQF-JTQLQIEISA-N -1 1 295.310 2.981 20 0 CFADMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@H]1CC[C@@H](C)CC1 ZINC001234606978 778264447 /nfs/dbraw/zinc/26/44/47/778264447.db2.gz UMMKZYRDNDOPMI-DTORHVGOSA-N -1 1 283.299 2.670 20 0 CFADMM C[C@@H](Oc1cc([O-])cc2oc(=O)ccc12)C(F)(F)F ZINC001229129345 778270003 /nfs/dbraw/zinc/27/00/03/778270003.db2.gz NIMOQQZEPUDISD-ZCFIWIBFSA-N -1 1 274.194 2.828 20 0 CFADMM CC[C@H]1OC(=O)C(Oc2nc3sccc3[n-]2)=C1C ZINC001234846877 778307962 /nfs/dbraw/zinc/30/79/62/778307962.db2.gz DLOCPAUGAPPZDZ-MRVPVSSYSA-N -1 1 264.306 2.613 20 0 CFADMM CCCCC(CCCC)OCC[P@](=O)([O-])O ZINC001224601846 778598000 /nfs/dbraw/zinc/59/80/00/778598000.db2.gz LRXXJNOJAQYPLH-UHFFFAOYSA-N -1 1 252.291 2.930 20 0 CFADMM CCC(F)(F)C[N-]S(=O)(=O)c1coc2ccccc21 ZINC000907303547 778675026 /nfs/dbraw/zinc/67/50/26/778675026.db2.gz ZPFUZTJOPCJHLR-UHFFFAOYSA-N -1 1 289.303 2.756 20 0 CFADMM Cc1ccc(F)c(-c2ncnc3c2C(C)(C)C(=O)N3)c1[O-] ZINC001236389459 778799895 /nfs/dbraw/zinc/79/98/95/778799895.db2.gz FSEQSYXDOLPTEF-UHFFFAOYSA-N -1 1 287.294 2.526 20 0 CFADMM Cc1ccc(F)c(-c2ccc(NC(N)=S)cn2)c1[O-] ZINC001236391728 778800442 /nfs/dbraw/zinc/80/04/42/778800442.db2.gz OFRSXJQRBQEYEX-UHFFFAOYSA-N -1 1 277.324 2.557 20 0 CFADMM Cc1ccc(F)c(-c2ncnc3ccn(C)c32)c1[O-] ZINC001236393442 778800511 /nfs/dbraw/zinc/80/05/11/778800511.db2.gz UYQJIWZUZRNLBP-UHFFFAOYSA-N -1 1 257.268 2.788 20 0 CFADMM COC(=O)c1cc(OC)cc(-c2c(F)ccc(C)c2[O-])n1 ZINC001236393189 778801090 /nfs/dbraw/zinc/80/10/90/778801090.db2.gz SQEBPNLGRLKFCG-UHFFFAOYSA-N -1 1 291.278 2.697 20 0 CFADMM O=C(N[C@@H]1CCCC2(CC2)C1)c1ccc([O-])cc1F ZINC000696163747 778855969 /nfs/dbraw/zinc/85/59/69/778855969.db2.gz MRWHXOAUVCRBNE-SNVBAGLBSA-N -1 1 263.312 2.984 20 0 CFADMM CC1(F)CCN(Cc2cc([O-])c(F)c(F)c2)CC1 ZINC001232968435 779000386 /nfs/dbraw/zinc/00/03/86/779000386.db2.gz AVKXGWOPMSWLRW-UHFFFAOYSA-N -1 1 259.271 2.994 20 0 CFADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(N)c1 ZINC001237602651 779140016 /nfs/dbraw/zinc/14/00/16/779140016.db2.gz CXPBYZGZFDOULB-UHFFFAOYSA-N -1 1 280.324 2.517 20 0 CFADMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@@H](C)CCC(C)C ZINC001234608285 779252591 /nfs/dbraw/zinc/25/25/91/779252591.db2.gz KNOVFUXDRMZQIQ-VIFPVBQESA-N -1 1 285.315 2.916 20 0 CFADMM CNc1ccc(Nc2ccnc(Cl)c2[O-])cn1 ZINC001203452964 779350590 /nfs/dbraw/zinc/35/05/90/779350590.db2.gz UVDLMTZKSBIIIY-UHFFFAOYSA-N -1 1 250.689 2.621 20 0 CFADMM COc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC001240030878 779923429 /nfs/dbraw/zinc/92/34/29/779923429.db2.gz FTXVMORSJYTAAU-UHFFFAOYSA-N -1 1 287.710 2.591 20 0 CFADMM COc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC001240030878 779923435 /nfs/dbraw/zinc/92/34/35/779923435.db2.gz FTXVMORSJYTAAU-UHFFFAOYSA-N -1 1 287.710 2.591 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2ccn(C(C)C)c2)ccc1N ZINC001203166560 779966168 /nfs/dbraw/zinc/96/61/68/779966168.db2.gz HWKWYUUDOUKXLE-UHFFFAOYSA-N -1 1 293.392 2.760 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3cc(C)cc(F)c3)no2)n[n-]1 ZINC001212429915 780176246 /nfs/dbraw/zinc/17/62/46/780176246.db2.gz QKHPYDIMKCTXIM-UHFFFAOYSA-N -1 1 286.266 2.777 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3cc(C)cc(F)c3)no2)[n-]n1 ZINC001212429915 780176249 /nfs/dbraw/zinc/17/62/49/780176249.db2.gz QKHPYDIMKCTXIM-UHFFFAOYSA-N -1 1 286.266 2.777 20 0 CFADMM c1cc(N2CCCC2)ccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001240592291 780276873 /nfs/dbraw/zinc/27/68/73/780276873.db2.gz YXUZUHJCXYHFOP-UHFFFAOYSA-N -1 1 292.346 2.529 20 0 CFADMM c1cc(N2CCCC2)ccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001240592291 780276882 /nfs/dbraw/zinc/27/68/82/780276882.db2.gz YXUZUHJCXYHFOP-UHFFFAOYSA-N -1 1 292.346 2.529 20 0 CFADMM O=C(c1cccnc1-c1cc(F)ccc1[O-])N1CCCC1 ZINC001240693936 780363777 /nfs/dbraw/zinc/36/37/77/780363777.db2.gz IIFAOIKYNUXALM-UHFFFAOYSA-N -1 1 286.306 2.829 20 0 CFADMM COC(=O)c1cnc(-c2cc(F)ccc2[O-])c(C)c1 ZINC001240693422 780365089 /nfs/dbraw/zinc/36/50/89/780365089.db2.gz QRUBJNDLDSVSID-UHFFFAOYSA-N -1 1 261.252 2.688 20 0 CFADMM COc1cc(-c2cccn3cncc23)ccc1C(=O)[O-] ZINC001240746196 780411148 /nfs/dbraw/zinc/41/11/48/780411148.db2.gz ZGOHRRUHACAQBN-UHFFFAOYSA-N -1 1 268.272 2.708 20 0 CFADMM CCCNC(=O)c1cccnc1-c1ccc([O-])c(F)c1 ZINC001240782729 780436102 /nfs/dbraw/zinc/43/61/02/780436102.db2.gz GWBUEPBRMMMETB-UHFFFAOYSA-N -1 1 274.295 2.733 20 0 CFADMM [O-]c1ccc(-c2cncc(OCC(F)(F)F)n2)cc1F ZINC001240782784 780436402 /nfs/dbraw/zinc/43/64/02/780436402.db2.gz JEYINOUBCWQNMV-UHFFFAOYSA-N -1 1 288.200 2.929 20 0 CFADMM Cc1n[n-]c(=NCc2ccc3c(c2)CCCC3)n1C1CC1 ZINC000427241709 780470782 /nfs/dbraw/zinc/47/07/82/780470782.db2.gz FDHHQZULCZEMGS-UHFFFAOYSA-N -1 1 282.391 2.834 20 0 CFADMM CCOC(=O)c1nc2cc(-c3ccccc3N)ccc2[n-]1 ZINC001241079425 780629197 /nfs/dbraw/zinc/62/91/97/780629197.db2.gz OVVGTAHJZOIELQ-UHFFFAOYSA-N -1 1 281.315 2.989 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3ccccc3N)cc2[n-]1 ZINC001241079425 780629199 /nfs/dbraw/zinc/62/91/99/780629199.db2.gz OVVGTAHJZOIELQ-UHFFFAOYSA-N -1 1 281.315 2.989 20 0 CFADMM CCOc1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc1F ZINC001241089610 780633461 /nfs/dbraw/zinc/63/34/61/780633461.db2.gz TXBRYZXZFKIZNF-UHFFFAOYSA-N -1 1 299.301 2.704 20 0 CFADMM CN(CC1CC1)c1cncc(-c2c(F)cc([O-])cc2F)n1 ZINC001241118437 780647193 /nfs/dbraw/zinc/64/71/93/780647193.db2.gz DWUSWZADHICFHD-UHFFFAOYSA-N -1 1 291.301 2.974 20 0 CFADMM Cn1c(=O)ccc2ccc(-c3c(F)cc([O-])cc3F)nc21 ZINC001241119231 780647333 /nfs/dbraw/zinc/64/73/33/780647333.db2.gz ZSELEIITTPNBPC-UHFFFAOYSA-N -1 1 288.253 2.584 20 0 CFADMM [O-]c1cc(F)c(-c2cc3cncnc3cn2)c(F)c1 ZINC001241118590 780647397 /nfs/dbraw/zinc/64/73/97/780647397.db2.gz RGJINUWKUUVBRN-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM COCOc1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241118580 780647514 /nfs/dbraw/zinc/64/75/14/780647514.db2.gz QVCNULQWCBFRIE-UHFFFAOYSA-N -1 1 267.231 2.715 20 0 CFADMM O=C(NC1CC1)c1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241118215 780647581 /nfs/dbraw/zinc/64/75/81/780647581.db2.gz NZYJJTRRCOOKBB-UHFFFAOYSA-N -1 1 290.269 2.625 20 0 CFADMM COC(=O)c1ncc(-c2c(F)cc([O-])cc2F)cc1F ZINC001241121668 780650572 /nfs/dbraw/zinc/65/05/72/780650572.db2.gz AHYCSSIHRMIARB-UHFFFAOYSA-N -1 1 283.205 2.658 20 0 CFADMM [O-]c1cc(F)c(-c2ccc3ncnn3c2F)c(F)c1 ZINC001241124210 780652339 /nfs/dbraw/zinc/65/23/39/780652339.db2.gz CWVNXBLVDNYXFC-UHFFFAOYSA-N -1 1 265.194 2.519 20 0 CFADMM CSc1cncc(-c2c(F)ccc([O-])c2F)n1 ZINC001241289547 780760050 /nfs/dbraw/zinc/76/00/50/780760050.db2.gz AKBLEJTZTXFTCW-UHFFFAOYSA-N -1 1 254.261 2.849 20 0 CFADMM Cn1ccc2cnc(-c3c(F)ccc([O-])c3F)nc21 ZINC001241290776 780760273 /nfs/dbraw/zinc/76/02/73/780760273.db2.gz DGHLKGSYROSPDH-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM [O-]c1ccc(F)c(-c2ccc3c(n2)NCCO3)c1F ZINC001241294199 780764844 /nfs/dbraw/zinc/76/48/44/780764844.db2.gz MZWGSLLJZWKDTJ-UHFFFAOYSA-N -1 1 264.231 2.537 20 0 CFADMM CSc1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001241315504 780776120 /nfs/dbraw/zinc/77/61/20/780776120.db2.gz HWJJIGOSXJGRCA-UHFFFAOYSA-N -1 1 269.333 2.651 20 0 CFADMM CSc1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001241315504 780776124 /nfs/dbraw/zinc/77/61/24/780776124.db2.gz HWJJIGOSXJGRCA-UHFFFAOYSA-N -1 1 269.333 2.651 20 0 CFADMM CCc1cncc(-c2ccc3nc(C(=O)OC)[n-]c3c2)c1 ZINC001241374037 780828576 /nfs/dbraw/zinc/82/85/76/780828576.db2.gz CMVOSWILGYBYQV-UHFFFAOYSA-N -1 1 281.315 2.974 20 0 CFADMM CCc1cncc(-c2ccc3[n-]c(C(=O)OC)nc3c2)c1 ZINC001241374037 780828580 /nfs/dbraw/zinc/82/85/80/780828580.db2.gz CMVOSWILGYBYQV-UHFFFAOYSA-N -1 1 281.315 2.974 20 0 CFADMM CC(C)Oc1ccc(-c2ccc(-c3nnn[n-]3)nc2)c(F)c1 ZINC001241654263 781049490 /nfs/dbraw/zinc/04/94/90/781049490.db2.gz VMVJBOYYLIBJLD-UHFFFAOYSA-N -1 1 299.309 2.855 20 0 CFADMM CC(C)Oc1ccc(-c2ccc(-c3nn[n-]n3)nc2)c(F)c1 ZINC001241654263 781049500 /nfs/dbraw/zinc/04/95/00/781049500.db2.gz VMVJBOYYLIBJLD-UHFFFAOYSA-N -1 1 299.309 2.855 20 0 CFADMM CN1CCc2c(F)cc(-c3cncc(C(=O)[O-])c3)cc2C1 ZINC001241802401 781133541 /nfs/dbraw/zinc/13/35/41/781133541.db2.gz HJKISRJQLQFNFJ-UHFFFAOYSA-N -1 1 286.306 2.574 20 0 CFADMM O=[P@@]([O-])(O)c1ccc(-c2ccc3c(c2)CCCN3)cc1 ZINC001241836638 781150276 /nfs/dbraw/zinc/15/02/76/781150276.db2.gz AKXLJGUEBWBCSU-UHFFFAOYSA-N -1 1 289.271 2.515 20 0 CFADMM O=[P@]([O-])(O)c1ccc(-c2ccc3c(c2)CCCN3)cc1 ZINC001241836638 781150280 /nfs/dbraw/zinc/15/02/80/781150280.db2.gz AKXLJGUEBWBCSU-UHFFFAOYSA-N -1 1 289.271 2.515 20 0 CFADMM CO[C@H](C)c1cccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1 ZINC001242040669 781244445 /nfs/dbraw/zinc/24/44/45/781244445.db2.gz NXWPIUFVBQFNHC-LLVKDONJSA-N -1 1 295.338 2.874 20 0 CFADMM COC(=O)c1cc(-c2cc(C(F)(F)F)ccc2[O-])ncn1 ZINC001242132236 781295688 /nfs/dbraw/zinc/29/56/88/781295688.db2.gz ZZBVIIGBRZWIGZ-UHFFFAOYSA-N -1 1 298.220 2.655 20 0 CFADMM [O-]c1ccc(C(F)(F)F)cc1-c1cn2ncnc2cn1 ZINC001242140033 781296781 /nfs/dbraw/zinc/29/67/81/781296781.db2.gz SQWLDZYHRCFGJZ-UHFFFAOYSA-N -1 1 280.209 2.516 20 0 CFADMM [O-]c1ccc(-c2nc(F)nc3[nH]cnc32)cc1C(F)(F)F ZINC001242147698 781300774 /nfs/dbraw/zinc/30/07/74/781300774.db2.gz DVCODFYUCQXABH-UHFFFAOYSA-N -1 1 298.199 2.835 20 0 CFADMM CN(C)c1cnc(-c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001242151905 781304075 /nfs/dbraw/zinc/30/40/75/781304075.db2.gz YOAWBINDJMNEAG-UHFFFAOYSA-N -1 1 283.253 2.934 20 0 CFADMM CC(C)Oc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC001242200656 781323607 /nfs/dbraw/zinc/32/36/07/781323607.db2.gz QRONOOFIYHCWHE-UHFFFAOYSA-N -1 1 299.309 2.855 20 0 CFADMM CC(C)Oc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC001242200656 781323611 /nfs/dbraw/zinc/32/36/11/781323611.db2.gz QRONOOFIYHCWHE-UHFFFAOYSA-N -1 1 299.309 2.855 20 0 CFADMM O=c1ccc(-c2ccc(F)cc2[O-])nn1Cc1ccccc1 ZINC001242219435 781334467 /nfs/dbraw/zinc/33/44/67/781334467.db2.gz SZVYNMAWNINLTN-UHFFFAOYSA-N -1 1 296.301 2.803 20 0 CFADMM CC[C@@H]1CO[C@@H](CC)CN1Cc1cc(C(=O)[O-])cs1 ZINC000711392072 781420666 /nfs/dbraw/zinc/42/06/66/781420666.db2.gz GWESHFKHAOAJST-NEPJUHHUSA-N -1 1 283.393 2.836 20 0 CFADMM O=c1c(-c2cccc(F)c2[O-])cccn1Cc1ccncc1 ZINC001242352446 781424989 /nfs/dbraw/zinc/42/49/89/781424989.db2.gz IQBGVEYQPCKMDB-UHFFFAOYSA-N -1 1 296.301 2.803 20 0 CFADMM O=c1cnc(-c2cccc(F)c2[O-])cn1CC1CCC1 ZINC001242353299 781426786 /nfs/dbraw/zinc/42/67/86/781426786.db2.gz YFJOYFNZNCVTDL-UHFFFAOYSA-N -1 1 274.295 2.555 20 0 CFADMM COc1ncc(F)c(-c2cccc([O-])c2Cl)n1 ZINC001242798702 781763780 /nfs/dbraw/zinc/76/37/80/781763780.db2.gz WARXGRKBJGZZGQ-UHFFFAOYSA-N -1 1 254.648 2.650 20 0 CFADMM COC(=O)c1cc(OC)cnc1-c1cccc([O-])c1Cl ZINC001242797361 781764764 /nfs/dbraw/zinc/76/47/64/781764764.db2.gz GZTVMUHWIYKEAF-UHFFFAOYSA-N -1 1 293.706 2.903 20 0 CFADMM Nc1cn2ccc(-c3cccc([O-])c3Cl)cc2n1 ZINC001242799874 781765249 /nfs/dbraw/zinc/76/52/49/781765249.db2.gz GWWABAUKAZQCGV-UHFFFAOYSA-N -1 1 259.696 2.943 20 0 CFADMM COC(=O)c1nc(-c2cccc([O-])c2Cl)ccc1OC ZINC001242800199 781766153 /nfs/dbraw/zinc/76/61/53/781766153.db2.gz DKMZSGXVEIIMSN-UHFFFAOYSA-N -1 1 293.706 2.903 20 0 CFADMM CC(=O)Nc1nc(C)cc(-c2cccc([O-])c2Cl)n1 ZINC001242800578 781766353 /nfs/dbraw/zinc/76/63/53/781766353.db2.gz HYPJUWRCWWOTFY-UHFFFAOYSA-N -1 1 277.711 2.769 20 0 CFADMM COC(=O)Cc1ccncc1-c1cccc([O-])c1Cl ZINC001242802688 781767253 /nfs/dbraw/zinc/76/72/53/781767253.db2.gz OJDCYZFSGCSVRG-UHFFFAOYSA-N -1 1 277.707 2.823 20 0 CFADMM [O-]c1cccc(-c2ccc3c(n2)NCCO3)c1Cl ZINC001242801943 781767490 /nfs/dbraw/zinc/76/74/90/781767490.db2.gz IFWJNYYPYRBTPF-UHFFFAOYSA-N -1 1 262.696 2.912 20 0 CFADMM CC(C)n1ncc(-c2cccc([O-])c2Cl)cc1=O ZINC001242801719 781767866 /nfs/dbraw/zinc/76/78/66/781767866.db2.gz FDAOTGCCBXNBOG-UHFFFAOYSA-N -1 1 264.712 2.850 20 0 CFADMM [O-]c1cccc(-c2cn3ncnc3cc2F)c1Cl ZINC001242803684 781768835 /nfs/dbraw/zinc/76/88/35/781768835.db2.gz XVPOSMRIZAXPHY-UHFFFAOYSA-N -1 1 263.659 2.894 20 0 CFADMM CS[C@@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000125151801 187172380 /nfs/dbraw/zinc/17/23/80/187172380.db2.gz REJCCKSYZGNUKZ-NXEZZACHSA-N -1 1 283.368 2.935 20 0 CFADMM CC(=O)Nc1ccc([O-])c(-c2nc(CCC3CC3)no2)c1 ZINC000273877522 192345503 /nfs/dbraw/zinc/34/55/03/192345503.db2.gz DEWQWOHQSWLFQW-UHFFFAOYSA-N -1 1 287.319 2.743 20 0 CFADMM CC[C@@H](CNC(=O)c1ncc(C)cc1[O-])CC(F)(F)F ZINC000414005781 529489288 /nfs/dbraw/zinc/48/92/88/529489288.db2.gz OWCTZOBQAJLHLH-SECBINFHSA-N -1 1 290.285 2.804 20 0 CFADMM CCC(CC)n1ccc(CN2CCC[C@@H]2CC(=O)[O-])n1 ZINC000069996969 346904862 /nfs/dbraw/zinc/90/48/62/346904862.db2.gz JKMBCEBBOBMMFJ-CQSZACIVSA-N -1 1 279.384 2.683 20 0 CFADMM Cc1oc(C(=O)[O-])cc1CN1C[C@@H](C)S[C@H](C)C1 ZINC000070383946 346909984 /nfs/dbraw/zinc/90/99/84/346909984.db2.gz APHLILBIDVQTDD-RKDXNWHRSA-N -1 1 269.366 2.612 20 0 CFADMM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cncc([O-])c2)c1 ZINC000174504777 232295957 /nfs/dbraw/zinc/29/59/57/232295957.db2.gz YXZNUOKLIDXZFC-CYBMUJFWSA-N -1 1 284.359 2.765 20 0 CFADMM C[C@H](CNC(=O)c1cc(F)ccc1[O-])c1nccs1 ZINC000185961195 232419107 /nfs/dbraw/zinc/41/91/07/232419107.db2.gz JRHYAYVRTUVABK-MRVPVSSYSA-N -1 1 280.324 2.521 20 0 CFADMM O=C([N-]c1nncs1)c1csc(-c2ccccc2)n1 ZINC000045829235 346415329 /nfs/dbraw/zinc/41/53/29/346415329.db2.gz WJOHDODCKOOOGR-UHFFFAOYSA-N -1 1 288.357 2.914 20 0 CFADMM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1c([O-])cccc1F ZINC000128408316 187368590 /nfs/dbraw/zinc/36/85/90/187368590.db2.gz BCCRUNMULGPNQX-ABAIWWIYSA-N -1 1 295.354 2.712 20 0 CFADMM O=C([N-]c1nncs1)c1cnc(-c2ccccc2)s1 ZINC000046812154 346434493 /nfs/dbraw/zinc/43/44/93/346434493.db2.gz JZBIKUPPVXWEGU-UHFFFAOYSA-N -1 1 288.357 2.914 20 0 CFADMM COc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000049375386 346482192 /nfs/dbraw/zinc/48/21/92/346482192.db2.gz YMNFTRVTWMAGKN-UHFFFAOYSA-N -1 1 299.298 2.774 20 0 CFADMM Cc1ccc(CN[C@]2(C(=O)[O-])CCC[C@@H](C)C2)o1 ZINC000053043510 346536371 /nfs/dbraw/zinc/53/63/71/346536371.db2.gz XKJYYWPGDMTIGU-QMTHXVAHSA-N -1 1 251.326 2.711 20 0 CFADMM C[C@@]1(C(=O)[O-])CCN(Cc2coc(-c3cccs3)n2)C1 ZINC000062936439 346694515 /nfs/dbraw/zinc/69/45/15/346694515.db2.gz UMPSRQSQBLXMDS-CQSZACIVSA-N -1 1 292.360 2.700 20 0 CFADMM Cc1cn2nc([N-]c3cnn(C(C)C)c3)sc2n1 ZINC000066817701 346781660 /nfs/dbraw/zinc/78/16/60/346781660.db2.gz NAJFUBCKKISZDL-UHFFFAOYSA-N -1 1 262.342 2.620 20 0 CFADMM O=c1nc(-c2cnccn2)[n-]c2sc3ccccc3c21 ZINC000077491552 347195697 /nfs/dbraw/zinc/19/56/97/347195697.db2.gz LNRHFIPLPOLPIV-UHFFFAOYSA-N -1 1 280.312 2.595 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC(C2CCOCC2)C1 ZINC000669732804 539556299 /nfs/dbraw/zinc/55/62/99/539556299.db2.gz GVKOESAZBJIGAR-UHFFFAOYSA-N -1 1 295.766 2.544 20 0 CFADMM C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C(C)(C)C1 ZINC000083058394 347448070 /nfs/dbraw/zinc/44/80/70/347448070.db2.gz HJWMVRZMOTWWFU-SNVBAGLBSA-N -1 1 285.347 2.596 20 0 CFADMM O=S(=O)([N-][C@@H]1CC=CCC1)c1cc2ccccc2o1 ZINC000084938420 347476985 /nfs/dbraw/zinc/47/69/85/347476985.db2.gz UWDQATPZKJIGJK-GFCCVEGCSA-N -1 1 277.345 2.820 20 0 CFADMM c1nn(C[C@@H]2CCCO2)cc1[N-]c1nc(C2CC2)ns1 ZINC000092612619 347635229 /nfs/dbraw/zinc/63/52/29/347635229.db2.gz XZMOHDOONDVUAY-NSHDSACASA-N -1 1 291.380 2.535 20 0 CFADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1cc(-c2cccs2)on1 ZINC000092925585 347651988 /nfs/dbraw/zinc/65/19/88/347651988.db2.gz KLBJSDLLIVWJPG-GXSJLCMTSA-N -1 1 292.360 2.698 20 0 CFADMM CCN(Cc1ccccc1)Cc1ccc(C(=O)[O-])cn1 ZINC000094762140 347696375 /nfs/dbraw/zinc/69/63/75/347696375.db2.gz DDJWLLOMXVABQB-UHFFFAOYSA-N -1 1 270.332 2.802 20 0 CFADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1nc(C(C)(C)C)cs1 ZINC000094969642 347697334 /nfs/dbraw/zinc/69/73/34/347697334.db2.gz OIVSEWSCQBVTJB-VHSXEESVSA-N -1 1 282.409 2.736 20 0 CFADMM COc1ccc(C[N@H+]2CCC[C@H]2CC(=O)[O-])cc1Cl ZINC000086801855 179335958 /nfs/dbraw/zinc/33/59/58/179335958.db2.gz FIXKKUKYRMAZTK-NSHDSACASA-N -1 1 283.755 2.788 20 0 CFADMM CC[C@H](C(=O)[O-])N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000086802975 179337367 /nfs/dbraw/zinc/33/73/67/179337367.db2.gz DFRQNXQXTDUXLV-MVWJERBFSA-N -1 1 251.326 2.698 20 0 CFADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000171329104 348075337 /nfs/dbraw/zinc/07/53/37/348075337.db2.gz LPWHHFLIDUUYFI-UHFFFAOYSA-N -1 1 291.372 2.942 20 0 CFADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1ccc(Cl)cc1F ZINC000162564043 348031419 /nfs/dbraw/zinc/03/14/19/348031419.db2.gz KJMKNTPAHAGETQ-LDYMZIIASA-N -1 1 271.719 2.774 20 0 CFADMM O=C(Nc1nc(-c2ccccn2)cs1)c1cncc([O-])c1 ZINC000171761446 348080374 /nfs/dbraw/zinc/08/03/74/348080374.db2.gz LCUYTWONBWPMSN-UHFFFAOYSA-N -1 1 298.327 2.558 20 0 CFADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)C[C@H](C)S1 ZINC000235646690 348229041 /nfs/dbraw/zinc/22/90/41/348229041.db2.gz OUKBJGSCRAVTOU-AOOOYVTPSA-N -1 1 283.368 2.850 20 0 CFADMM CCC(CC)n1ccc(CN2CC[C@H](C(=O)[O-])[C@H]2C)n1 ZINC000252601086 348297011 /nfs/dbraw/zinc/29/70/11/348297011.db2.gz MCWNVQHOUIJGIP-RISCZKNCSA-N -1 1 279.384 2.539 20 0 CFADMM C[N@@H+]1CCN(C(=O)c2ccc3ccccc3c2O)CC1(C)C ZINC000316472698 348432116 /nfs/dbraw/zinc/43/21/16/348432116.db2.gz VZJCMVSLQWRJSR-UHFFFAOYSA-N -1 1 298.386 2.712 20 0 CFADMM C[C@H]1CN(Cc2cc(F)c(F)c(F)c2)CC[C@@H]1C(=O)[O-] ZINC000380308519 348523437 /nfs/dbraw/zinc/52/34/37/348523437.db2.gz UKDRXEJAEYQKCM-WPRPVWTQSA-N -1 1 287.281 2.647 20 0 CFADMM Cc1ccsc1CN(C)Cc1ccc(C(=O)[O-])o1 ZINC000383634764 348531685 /nfs/dbraw/zinc/53/16/85/348531685.db2.gz CRGFYVXYHJKCJY-UHFFFAOYSA-N -1 1 265.334 2.980 20 0 CFADMM CCOc1cc(C(=O)N2CC[C@H](C)C2)cc(Cl)c1[O-] ZINC000273948293 192374236 /nfs/dbraw/zinc/37/42/36/192374236.db2.gz LXNGXXQQYYTIBJ-VIFPVBQESA-N -1 1 283.755 2.926 20 0 CFADMM Cc1ccc(O)c(C(=O)Nc2c([O-])cccc2F)c1 ZINC000092551631 539680213 /nfs/dbraw/zinc/68/02/13/539680213.db2.gz GQMLJVNFHVTGLR-UHFFFAOYSA-N -1 1 261.252 2.798 20 0 CFADMM COC(=O)C1(C[NH2+]Cc2cccc([O-])c2Cl)CCCC1 ZINC000590186266 348884217 /nfs/dbraw/zinc/88/42/17/348884217.db2.gz OEMDBKWNXYAUCQ-UHFFFAOYSA-N -1 1 297.782 2.869 20 0 CFADMM Cc1ccc(F)c(-c2cc(=NC(=O)Cc3ccco3)[nH][n-]2)c1 ZINC000444808548 539689719 /nfs/dbraw/zinc/68/97/19/539689719.db2.gz SOORFYNDGDRUEB-UHFFFAOYSA-N -1 1 299.305 2.720 20 0 CFADMM COC(=O)[C@@H]1CCCCCN1Cc1cccc([O-])c1Cl ZINC000590361565 348897105 /nfs/dbraw/zinc/89/71/05/348897105.db2.gz KFJLDIOTDRNYAT-LBPRGKRZSA-N -1 1 297.782 2.963 20 0 CFADMM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000104761159 186021382 /nfs/dbraw/zinc/02/13/82/186021382.db2.gz YVHZQGNWIQAMMV-IONNQARKSA-N -1 1 293.310 2.571 20 0 CFADMM CCSC1(CNC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000598328458 350236231 /nfs/dbraw/zinc/23/62/31/350236231.db2.gz GATTTYOBPQDONY-UHFFFAOYSA-N -1 1 269.341 2.547 20 0 CFADMM COc1ccsc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000105955435 186094574 /nfs/dbraw/zinc/09/45/74/186094574.db2.gz GMKQLADUKTZIGC-UHFFFAOYSA-N -1 1 291.304 2.798 20 0 CFADMM Cc1cnc(C(C)(C)NC(=O)c2cc(F)ccc2[O-])s1 ZINC000092423982 180382934 /nfs/dbraw/zinc/38/29/34/180382934.db2.gz QLJGJCFCZYXTJN-UHFFFAOYSA-N -1 1 294.351 2.961 20 0 CFADMM Cc1ccc(C)c(S([O-])=CC(=O)c2ccc[nH]2)c1 ZINC000107964045 186200193 /nfs/dbraw/zinc/20/01/93/186200193.db2.gz YUEJFOQNLVSAIC-SFHVURJKSA-N -1 1 261.346 2.622 20 0 CFADMM Cc1ccc(C)c([S@](=O)C=C([O-])c2ccc[nH]2)c1 ZINC000107964045 186200195 /nfs/dbraw/zinc/20/01/95/186200195.db2.gz YUEJFOQNLVSAIC-SFHVURJKSA-N -1 1 261.346 2.622 20 0 CFADMM O=C(CSCC(F)(F)F)Nc1cccc(F)c1[O-] ZINC000600445120 350556022 /nfs/dbraw/zinc/55/60/22/350556022.db2.gz MARODUBFXOENRH-UHFFFAOYSA-N -1 1 283.246 2.765 20 0 CFADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1ccccc1Cl ZINC000109040879 186240765 /nfs/dbraw/zinc/24/07/65/186240765.db2.gz UXJAJAYPQCNRJE-SECBINFHSA-N -1 1 276.723 2.932 20 0 CFADMM C[C@H](NC(=O)c1cncc([O-])c1)c1ccccc1Cl ZINC000109040876 186241651 /nfs/dbraw/zinc/24/16/51/186241651.db2.gz UXJAJAYPQCNRJE-VIFPVBQESA-N -1 1 276.723 2.932 20 0 CFADMM C[C@@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)C(C)(C)C ZINC000108785655 186230676 /nfs/dbraw/zinc/23/06/76/186230676.db2.gz NHPVIIVPDLOGTA-LURJTMIESA-N -1 1 278.278 2.834 20 0 CFADMM CC(C)SCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000600676816 350595917 /nfs/dbraw/zinc/59/59/17/350595917.db2.gz YODBGZQDNXSUST-UHFFFAOYSA-N -1 1 291.376 2.658 20 0 CFADMM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccncc1[O-] ZINC000109890205 186278303 /nfs/dbraw/zinc/27/83/03/186278303.db2.gz MNAOJLYBPGQZFS-SECBINFHSA-N -1 1 292.722 2.847 20 0 CFADMM CC(C)c1ccc(CCNC(=O)c2cncc([O-])c2)cc1 ZINC000600925236 350631567 /nfs/dbraw/zinc/63/15/67/350631567.db2.gz OKKHSKXTYJBJBG-UHFFFAOYSA-N -1 1 284.359 2.883 20 0 CFADMM O=C(NCc1cc2c(s1)CCCC2)c1cncc([O-])c1 ZINC000600959889 350637249 /nfs/dbraw/zinc/63/72/49/350637249.db2.gz XIEAQPXQRDUJLB-UHFFFAOYSA-N -1 1 288.372 2.658 20 0 CFADMM Cc1nc(SCC(=O)OC(C)(C)C)[n-]c(=O)c1C1CC1 ZINC000601088468 350664855 /nfs/dbraw/zinc/66/48/55/350664855.db2.gz RMDLJLGLUVUZRD-UHFFFAOYSA-N -1 1 296.392 2.802 20 0 CFADMM CSC[C@@H]1CCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601340511 350725216 /nfs/dbraw/zinc/72/52/16/350725216.db2.gz SJGFBIXBSKCBMV-NSHDSACASA-N -1 1 299.823 2.942 20 0 CFADMM CCc1c(=O)n(-c2cccc(C(=O)OC)c2)[n-]c1C(C)C ZINC000601945443 350813801 /nfs/dbraw/zinc/81/38/01/350813801.db2.gz RRKGWXRQJVFFKU-ZDUSSCGKSA-N -1 1 288.347 2.858 20 0 CFADMM CCc1c(=O)n(-c2ccccc2C(=O)OC)[n-]c1C(C)C ZINC000601948797 350816247 /nfs/dbraw/zinc/81/62/47/350816247.db2.gz LOTKIZMBFSIJCP-NSHDSACASA-N -1 1 288.347 2.858 20 0 CFADMM CCCCc1cc(=O)n(-c2ccc(F)c(C(=O)OC)c2)[n-]1 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ZINC000608366755 351426280 /nfs/dbraw/zinc/42/62/80/351426280.db2.gz XSHJQQVNKSDPLN-CYBMUJFWSA-N -1 1 291.253 2.613 20 0 CFADMM C[S@](=O)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000610339885 351555344 /nfs/dbraw/zinc/55/53/44/351555344.db2.gz YVDBLOFVKUHWFU-FQEVSTJZSA-N -1 1 293.319 2.521 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@]2(C)CCC[C@@H]2C)c1 ZINC000451660285 383678790 /nfs/dbraw/zinc/67/87/90/383678790.db2.gz FKESTQMPIWGYCB-QFYYESIMSA-N -1 1 291.347 2.944 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)sc1C ZINC000271443961 191141264 /nfs/dbraw/zinc/14/12/64/191141264.db2.gz QMRRKHQUYBAVSF-UHFFFAOYSA-N -1 1 297.405 2.766 20 0 CFADMM O=C(N[C@H](C1CC1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000291675501 198059599 /nfs/dbraw/zinc/05/95/99/198059599.db2.gz BTTPSELLSLCCIA-SNVBAGLBSA-N -1 1 277.217 2.602 20 0 CFADMM O=C(c1ncc2ccccc2c1[O-])N1C[C@H]2CCC[C@@H]2C1 ZINC000612263504 351793484 /nfs/dbraw/zinc/79/34/84/351793484.db2.gz PLHSSFCPDCVJIM-CHWSQXEVSA-N -1 1 282.343 2.813 20 0 CFADMM 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Cc1ccc(C[C@@H](C)NC(=O)c2cncc([O-])c2)c(C)c1 ZINC000111618555 375858986 /nfs/dbraw/zinc/85/89/86/375858986.db2.gz XZGBJKUHUKJAEE-CYBMUJFWSA-N -1 1 284.359 2.765 20 0 CFADMM CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H](C)O1 ZINC000111644247 375860518 /nfs/dbraw/zinc/86/05/18/375860518.db2.gz PZKUWPOKNRQTSL-MWLCHTKSSA-N -1 1 283.755 2.685 20 0 CFADMM CC1(C)CCC(C)(C)c2cc(C(=O)Nc3nnn[n-]3)ccc21 ZINC000112114381 375885463 /nfs/dbraw/zinc/88/54/63/375885463.db2.gz QGXTUFOOSXBSAO-UHFFFAOYSA-N -1 1 299.378 2.801 20 0 CFADMM CC1(C)CCC(C)(C)c2cc(C(=O)Nc3nn[n-]n3)ccc21 ZINC000112114381 375885469 /nfs/dbraw/zinc/88/54/69/375885469.db2.gz QGXTUFOOSXBSAO-UHFFFAOYSA-N -1 1 299.378 2.801 20 0 CFADMM CCc1ccnc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000678799514 542071694 /nfs/dbraw/zinc/07/16/94/542071694.db2.gz ZMEQJYJKLJZROA-UHFFFAOYSA-N -1 1 260.268 2.741 20 0 CFADMM Cc1ccc(C[C@H]2CCCN2C(=O)c2cncc([O-])c2)cc1 ZINC000113441342 376017045 /nfs/dbraw/zinc/01/70/45/376017045.db2.gz HHRSIYSWYRKGFQ-MRXNPFEDSA-N -1 1 296.370 2.943 20 0 CFADMM Cc1c2ccccc2oc1CNC(=O)c1cncc([O-])c1 ZINC000115714679 376148723 /nfs/dbraw/zinc/14/87/23/376148723.db2.gz RUQQNZYLSOGYDV-UHFFFAOYSA-N -1 1 282.299 2.772 20 0 CFADMM Cc1ccc(F)cc1C(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000119576395 376438123 /nfs/dbraw/zinc/43/81/23/376438123.db2.gz LROJBRXGKJAANM-UHFFFAOYSA-N -1 1 299.309 2.510 20 0 CFADMM CCC(=O)CCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289478300 197366857 /nfs/dbraw/zinc/36/68/57/197366857.db2.gz ICCONOUKHZFFDU-UHFFFAOYSA-N -1 1 276.308 2.971 20 0 CFADMM O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000121327897 376806075 /nfs/dbraw/zinc/80/60/75/376806075.db2.gz FNLPRKPWNVKECC-BXUZGUMPSA-N -1 1 295.766 2.733 20 0 CFADMM Cc1nc(-c2ccc(N3CC=CCC3)nc2)[n-]c(=O)c1C ZINC000679280242 542153714 /nfs/dbraw/zinc/15/37/14/542153714.db2.gz VNLWCKMZOFFJLL-UHFFFAOYSA-N -1 1 282.347 2.627 20 0 CFADMM CSC[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129551608 377443390 /nfs/dbraw/zinc/44/33/90/377443390.db2.gz QRRHWQXIASSBML-SSDOTTSWSA-N -1 1 259.758 2.983 20 0 CFADMM Cc1ccc(C[S@@](=O)C=C([O-])c2ccc[nH]2)cc1C ZINC000129701585 377463499 /nfs/dbraw/zinc/46/34/99/377463499.db2.gz MZUVAHOPLPMVKN-IBGZPJMESA-N -1 1 275.373 2.763 20 0 CFADMM CC[C@H](NC(=O)c1cncc([O-])c1)c1cc(F)ccc1F ZINC000130540926 377572433 /nfs/dbraw/zinc/57/24/33/377572433.db2.gz FQDWKNIBWWNHPQ-AWEZNQCLSA-N -1 1 292.285 2.947 20 0 CFADMM CC(C)(C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000130917735 377630500 /nfs/dbraw/zinc/63/05/00/377630500.db2.gz HEOLDBOTWQIDPW-UHFFFAOYSA-N -1 1 265.737 2.556 20 0 CFADMM Cc1cccc2c(CC(=O)[N-]O[C@@H]3CCCCO3)c[nH]c21 ZINC000132422924 377837647 /nfs/dbraw/zinc/83/76/47/377837647.db2.gz NXQGSYXEMVUNPW-OAHLLOKOSA-N -1 1 288.347 2.593 20 0 CFADMM CC(C)c1ccc(C2(C(=O)Nc3nnn[n-]3)CCCC2)cc1 ZINC000135474692 378136615 /nfs/dbraw/zinc/13/66/15/378136615.db2.gz FRLNIINIIYEQBT-UHFFFAOYSA-N -1 1 299.378 2.774 20 0 CFADMM CC(C)c1ccc(C2(C(=O)Nc3nn[n-]n3)CCCC2)cc1 ZINC000135474692 378136622 /nfs/dbraw/zinc/13/66/22/378136622.db2.gz FRLNIINIIYEQBT-UHFFFAOYSA-N -1 1 299.378 2.774 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCCCCCC1 ZINC000149004944 378261859 /nfs/dbraw/zinc/26/18/59/378261859.db2.gz JZJNDXNPTXTVPH-UHFFFAOYSA-N -1 1 251.301 2.938 20 0 CFADMM O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cc(F)ccc1[O-] ZINC000152360104 378410102 /nfs/dbraw/zinc/41/01/02/378410102.db2.gz CFKCUQVSHQOBTK-LXZKKBNFSA-N -1 1 297.329 2.847 20 0 CFADMM O=C([N-]Cc1cccc(-c2ccccn2)c1)C(F)(F)F ZINC000153013560 378467242 /nfs/dbraw/zinc/46/72/42/378467242.db2.gz YVIRGXZVFIGDLC-UHFFFAOYSA-N -1 1 280.249 2.927 20 0 CFADMM Cc1ccc(F)cc1C(=O)C(=O)Nc1c([O-])cccc1F ZINC000679811366 542238096 /nfs/dbraw/zinc/23/80/96/542238096.db2.gz CNLOSGRRFNBFOC-UHFFFAOYSA-N -1 1 291.253 2.800 20 0 CFADMM COc1cc(C(=O)N(C)c2nccs2)cc(Cl)c1[O-] ZINC000153801187 378511035 /nfs/dbraw/zinc/51/10/35/378511035.db2.gz WIUUJGBSBFAWEC-UHFFFAOYSA-N -1 1 298.751 2.787 20 0 CFADMM O=C(c1ncccc1[O-])N(Cc1cccc(O)c1)CC1CC1 ZINC000153987573 378529577 /nfs/dbraw/zinc/52/95/77/378529577.db2.gz SOPZGSGNADTYER-UHFFFAOYSA-N -1 1 298.342 2.545 20 0 CFADMM [O-]C(=NO[C@@H]1CCCCO1)Nc1nc2ccccc2s1 ZINC000155440198 378626910 /nfs/dbraw/zinc/62/69/10/378626910.db2.gz AQAUACZSFHEMBO-LLVKDONJSA-N -1 1 293.348 2.876 20 0 CFADMM O=C([N-]O[C@@H]1CCCCO1)Nc1nc2ccccc2s1 ZINC000155440198 378626916 /nfs/dbraw/zinc/62/69/16/378626916.db2.gz AQAUACZSFHEMBO-LLVKDONJSA-N -1 1 293.348 2.876 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000331250404 378658519 /nfs/dbraw/zinc/65/85/19/378658519.db2.gz YWOSLLBIHFGECB-GHMZBOCLSA-N -1 1 291.347 2.944 20 0 CFADMM O=C1CCc2cc(-c3nc(=O)c4sccc4[n-]3)ccc2N1 ZINC000158671010 378671419 /nfs/dbraw/zinc/67/14/19/378671419.db2.gz HRCKCPNZNNSMQQ-UHFFFAOYSA-N -1 1 297.339 2.536 20 0 CFADMM Cc1nc(SCc2ncc(C3CC3)o2)[n-]c(=O)c1C ZINC000331541199 378704250 /nfs/dbraw/zinc/70/42/50/378704250.db2.gz QMTBCTYPQJXZPK-UHFFFAOYSA-N -1 1 277.349 2.957 20 0 CFADMM CC(C)(O)C(C)(C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000332659596 378784342 /nfs/dbraw/zinc/78/43/42/378784342.db2.gz CGKXCPKKIVTUIQ-UHFFFAOYSA-N -1 1 287.359 2.825 20 0 CFADMM C[C@H]1CCC(=O)[C@H](Sc2nc(C3CC3)cc(=O)[n-]2)C1 ZINC000333681364 378845258 /nfs/dbraw/zinc/84/52/58/378845258.db2.gz LHWQGYYVYFRZMW-QPUJVOFHSA-N -1 1 278.377 2.909 20 0 CFADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccnc2)[nH]n1 ZINC000162675711 378926360 /nfs/dbraw/zinc/92/63/60/378926360.db2.gz UFQZSKGUVATUSY-JTQLQIEISA-N -1 1 294.380 2.509 20 0 CFADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000162875012 378940119 /nfs/dbraw/zinc/94/01/19/378940119.db2.gz SJHVTYKLGJLGRY-WDEREUQCSA-N -1 1 280.393 2.533 20 0 CFADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000162875146 378940188 /nfs/dbraw/zinc/94/01/88/378940188.db2.gz SJHVTYKLGJLGRY-QWRGUYRKSA-N -1 1 280.393 2.533 20 0 CFADMM O=C(c1ccc(O)cc1[O-])N1CCc2cc(Cl)ccc21 ZINC000334299588 379054681 /nfs/dbraw/zinc/05/46/81/379054681.db2.gz REYKDLKMYNRCRS-UHFFFAOYSA-N -1 1 289.718 2.954 20 0 CFADMM COc1cc(C(=O)N[C@@H]2CC[C@H]2C)cc(Cl)c1[O-] ZINC000334322405 379092466 /nfs/dbraw/zinc/09/24/66/379092466.db2.gz IRYQPFUZTUXCAP-GMSGAONNSA-N -1 1 269.728 2.583 20 0 CFADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)C1CC1 ZINC000289466184 197361347 /nfs/dbraw/zinc/36/13/47/197361347.db2.gz GVGRTKREIOSDOD-YFKPBYRVSA-N -1 1 274.292 2.580 20 0 CFADMM CN(C[C@H]1CCCCO1)C(=O)c1cc(Cl)ccc1[O-] ZINC000048482329 412908113 /nfs/dbraw/zinc/90/81/13/412908113.db2.gz QQIKVSAQKNWECT-LLVKDONJSA-N -1 1 283.755 2.687 20 0 CFADMM CC1=C(c2ccco2)CN(C(=O)c2ncccc2[O-])CC1 ZINC000334404936 379242213 /nfs/dbraw/zinc/24/22/13/379242213.db2.gz JBTAVJMNWIUXRD-UHFFFAOYSA-N -1 1 284.315 2.700 20 0 CFADMM O=C(NC[C@@H]1CCCC1(F)F)c1ccc([O-])cc1F ZINC000335416551 379255296 /nfs/dbraw/zinc/25/52/96/379255296.db2.gz VZFSZZLCWBDRLB-QMMMGPOBSA-N -1 1 273.254 2.697 20 0 CFADMM O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ncccc1[O-] ZINC000171242342 379260808 /nfs/dbraw/zinc/26/08/08/379260808.db2.gz VYMYGYBAPBEGQD-BDAKNGLRSA-N -1 1 288.269 2.638 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@](O)(C2CC2)C1 ZINC000334422000 379270740 /nfs/dbraw/zinc/27/07/40/379270740.db2.gz BMEWVMHWTOJHEC-GOSISDBHSA-N -1 1 297.354 2.532 20 0 CFADMM O=C(NC[C@@H]1CCCc2ccccc21)c1cncc([O-])c1 ZINC000171862274 379423226 /nfs/dbraw/zinc/42/32/26/379423226.db2.gz VLLLIHPBGZGSEB-ZDUSSCGKSA-N -1 1 282.343 2.637 20 0 CFADMM C[C@H]1CC[C@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000335552911 379498870 /nfs/dbraw/zinc/49/88/70/379498870.db2.gz YXKNLCNUDBGMMR-OIBJUYFYSA-N -1 1 284.153 2.683 20 0 CFADMM CCc1nnsc1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000334527077 379457949 /nfs/dbraw/zinc/45/79/49/379457949.db2.gz UYLQUBCJFNUELN-UHFFFAOYSA-N -1 1 287.266 2.770 20 0 CFADMM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cncc([O-])c1 ZINC000172092252 379490211 /nfs/dbraw/zinc/49/02/11/379490211.db2.gz QSYYSSUIGGLKMR-IUODEOHRSA-N -1 1 282.343 2.805 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC(C(F)(F)F)C1 ZINC000334541955 379492763 /nfs/dbraw/zinc/49/27/63/379492763.db2.gz YXDFWTHCCWUSIM-UHFFFAOYSA-N -1 1 279.645 2.680 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](c2cccnc2)C1 ZINC000335551695 379495898 /nfs/dbraw/zinc/49/58/98/379495898.db2.gz CTERJHZISHSQBR-GFCCVEGCSA-N -1 1 286.306 2.556 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)c([O-])c1 ZINC000334556446 379521389 /nfs/dbraw/zinc/52/13/89/379521389.db2.gz UCJROUJCAZSFCW-VIFPVBQESA-N -1 1 288.269 2.510 20 0 CFADMM C[C@@H]1CCCN(Cc2cc(F)c(F)cc2F)[C@H]1C(=O)[O-] ZINC000334578349 379567168 /nfs/dbraw/zinc/56/71/68/379567168.db2.gz JERXWAWXEHLULD-AMIZOPFISA-N -1 1 287.281 2.789 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC2(C1)CCCOC2 ZINC000335717392 379775725 /nfs/dbraw/zinc/77/57/25/379775725.db2.gz ZSJZCIDHMXQMEV-UHFFFAOYSA-N -1 1 297.354 2.798 20 0 CFADMM CC(C)(CF)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000334695672 379781985 /nfs/dbraw/zinc/78/19/85/379781985.db2.gz FGNPMGMYRJXLSR-UHFFFAOYSA-N -1 1 289.303 2.598 20 0 CFADMM COC[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000334733151 379844154 /nfs/dbraw/zinc/84/41/54/379844154.db2.gz GSQUGOGAQFZIFK-SNVBAGLBSA-N -1 1 299.317 2.559 20 0 CFADMM CC1(CC(F)(F)F)CN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000334767928 379912983 /nfs/dbraw/zinc/91/29/83/379912983.db2.gz VMKRXTSHFNLGKQ-UHFFFAOYSA-N -1 1 291.244 2.946 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCOC[C@@H]1CC1CCC1 ZINC000335813729 379931444 /nfs/dbraw/zinc/93/14/44/379931444.db2.gz ILYHQGUUWZLQTQ-ZDUSSCGKSA-N -1 1 293.338 2.563 20 0 CFADMM CCS[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000174912334 379960877 /nfs/dbraw/zinc/96/08/77/379960877.db2.gz SANDNDAJNHPAFX-GHMZBOCLSA-N -1 1 280.393 2.581 20 0 CFADMM O=C(NCc1ccc(F)cc1F)c1c(F)ccc([O-])c1F ZINC000335999035 380216546 /nfs/dbraw/zinc/21/65/46/380216546.db2.gz QPQIWZPTNDWECL-UHFFFAOYSA-N -1 1 299.223 2.879 20 0 CFADMM Cc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1O ZINC000336001974 380221279 /nfs/dbraw/zinc/22/12/79/380221279.db2.gz CNGBDHCMRDMYET-UHFFFAOYSA-N -1 1 279.242 2.937 20 0 CFADMM CCC1([N-]S(=O)(=O)c2cc(F)ccc2F)CCC1 ZINC000177538297 380351225 /nfs/dbraw/zinc/35/12/25/380351225.db2.gz IDWSATZYSKLGPU-UHFFFAOYSA-N -1 1 275.320 2.576 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000336586189 380507340 /nfs/dbraw/zinc/50/73/40/380507340.db2.gz AOOQXOXQEZTCEW-WDEREUQCSA-N -1 1 295.766 2.544 20 0 CFADMM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])on1 ZINC000336612587 380547613 /nfs/dbraw/zinc/54/76/13/380547613.db2.gz YBRGLOBOHQYAOJ-UHFFFAOYSA-N -1 1 252.657 2.594 20 0 CFADMM CO[C@@H](C)c1nc(=N[C@H]2CCC(C)(C)C2)s[n-]1 ZINC000336688751 380593079 /nfs/dbraw/zinc/59/30/79/380593079.db2.gz GHDOOBKYRGUYPN-IUCAKERBSA-N -1 1 255.387 2.658 20 0 CFADMM C[C@@H]1CCCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000181190243 380754182 /nfs/dbraw/zinc/75/41/82/380754182.db2.gz RMIZUUUUOKWHBB-SNVBAGLBSA-N -1 1 251.301 2.794 20 0 CFADMM CN(Cc1cccc(F)c1)C(=O)c1ccc([O-])cc1F ZINC000181054530 380730290 /nfs/dbraw/zinc/73/02/90/380730290.db2.gz IXCNCUBMDIWYBQ-UHFFFAOYSA-N -1 1 277.270 2.943 20 0 CFADMM COc1cccc(CCNC(=O)c2ccc([O-])cc2F)c1 ZINC000181143278 380746964 /nfs/dbraw/zinc/74/69/64/380746964.db2.gz QTECBKVBKSNIBM-UHFFFAOYSA-N -1 1 289.306 2.512 20 0 CFADMM CC[C@@H](C)CN(CC)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000295465344 380873551 /nfs/dbraw/zinc/87/35/51/380873551.db2.gz YUVNDGPZVOWGKA-SNVBAGLBSA-N -1 1 292.408 2.526 20 0 CFADMM C[C@@H]1CCC[C@H](N(C)C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000287697002 380912240 /nfs/dbraw/zinc/91/22/40/380912240.db2.gz UGGCOIBFVLIUGO-YPMHNXCESA-N -1 1 275.348 2.612 20 0 CFADMM CSCCCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000347074563 380922666 /nfs/dbraw/zinc/92/26/66/380922666.db2.gz RPAPPPNWYMHGMA-UHFFFAOYSA-N -1 1 291.376 2.864 20 0 CFADMM CC(C)(C)C1=CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000287807889 380945294 /nfs/dbraw/zinc/94/52/94/380945294.db2.gz UXMCEKCGXWYXIL-UHFFFAOYSA-N -1 1 287.359 2.780 20 0 CFADMM CC(C)(C)C[C@H](NCc1n[nH]c(=O)[n-]1)c1ccc(F)cc1 ZINC000341445682 381018239 /nfs/dbraw/zinc/01/82/39/381018239.db2.gz CJCCQBPCSXIZQA-LBPRGKRZSA-N -1 1 292.358 2.917 20 0 CFADMM C[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000182331880 381066490 /nfs/dbraw/zinc/06/64/90/381066490.db2.gz PRZFECZAMKKQKG-SSDOTTSWSA-N -1 1 284.241 2.566 20 0 CFADMM CCC(CC)[C@H](NCc1n[nH]c(=O)[n-]1)c1cccs1 ZINC000341583700 381102655 /nfs/dbraw/zinc/10/26/55/381102655.db2.gz DTXHKTMHRJTNRM-LBPRGKRZSA-N -1 1 280.397 2.839 20 0 CFADMM C[C@H]1c2ccccc2CN1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000341650635 381150959 /nfs/dbraw/zinc/15/09/59/381150959.db2.gz YSHRZIKJRRUWDK-JTQLQIEISA-N -1 1 299.399 2.856 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CCCO[C@H]2CCC[C@H]21 ZINC000369456442 381263151 /nfs/dbraw/zinc/26/31/51/381263151.db2.gz FUEUENLJVAILRQ-OCCSQVGLSA-N -1 1 295.766 2.829 20 0 CFADMM CCOC(=O)c1cc(NC(=O)C(C)(C)CC(C)C)n[nH]1 ZINC000183285893 381250305 /nfs/dbraw/zinc/25/03/05/381250305.db2.gz RZAAWVBAIBQOSI-UHFFFAOYSA-N -1 1 281.356 2.597 20 0 CFADMM COC(=O)c1c[n-]c(SC[C@@H](C)CC(C)C)n1 ZINC000347773204 381342062 /nfs/dbraw/zinc/34/20/62/381342062.db2.gz GSDMTJRULWKKDX-VIFPVBQESA-N -1 1 256.371 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CC(C)C1([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000293775871 382273427 /nfs/dbraw/zinc/27/34/27/382273427.db2.gz LHLHSCWPGFXLTA-UHFFFAOYSA-N -1 1 293.310 2.571 20 0 CFADMM O=c1cc(C2CC2)nc(SCC2CCOCC2)[n-]1 ZINC000188145967 382355988 /nfs/dbraw/zinc/35/59/88/382355988.db2.gz DSKARQJREFZEJF-UHFFFAOYSA-N -1 1 266.366 2.578 20 0 CFADMM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cncc([O-])c1 ZINC000294056083 382396681 /nfs/dbraw/zinc/39/66/81/382396681.db2.gz OLDJJQZHISPFOV-YEORSEQZSA-N -1 1 286.306 2.602 20 0 CFADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(CCF)CC1 ZINC000352497373 382366717 /nfs/dbraw/zinc/36/67/17/382366717.db2.gz ILEUIUJUIRSZBE-UHFFFAOYSA-N -1 1 289.310 2.861 20 0 CFADMM Cc1cc([N-]S(=O)(=O)c2ccccc2)cc2n[nH]cc21 ZINC000346483832 382381756 /nfs/dbraw/zinc/38/17/56/382381756.db2.gz NTWBEYDEEMTKJE-UHFFFAOYSA-N -1 1 287.344 2.672 20 0 CFADMM CC[C@@H](C)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000420711414 382452427 /nfs/dbraw/zinc/45/24/27/382452427.db2.gz YEMSJBCHQKTCDQ-MRVPVSSYSA-N -1 1 279.764 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295.298 2.740 20 0 CFADMM C[C@@H](NC(=O)c1cncc([O-])c1)[C@H]1CC2CCC1CC2 ZINC000381580690 382523362 /nfs/dbraw/zinc/52/33/62/382523362.db2.gz BPXHRMRFXFCTOO-TVRADYJESA-N -1 1 274.364 2.732 20 0 CFADMM CN(Cc1cccc(C(=O)[O-])c1Cl)C[C@@H]1CCCO1 ZINC000381604392 382523722 /nfs/dbraw/zinc/52/37/22/382523722.db2.gz HAPIPSFXMLLKBS-NSHDSACASA-N -1 1 283.755 2.649 20 0 CFADMM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)CCCO1 ZINC000381594038 382523839 /nfs/dbraw/zinc/52/38/39/382523839.db2.gz DZKFPFPNZTUQTF-JTQLQIEISA-N -1 1 283.755 2.649 20 0 CFADMM CCc1nc(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)co1 ZINC000346760801 382501451 /nfs/dbraw/zinc/50/14/51/382501451.db2.gz IFEFAYOOMYHSOL-UHFFFAOYSA-N -1 1 294.257 2.970 20 0 CFADMM C[C@@H]1CC[C@@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)C[C@H]1C ZINC000294599394 382517434 /nfs/dbraw/zinc/51/74/34/382517434.db2.gz RCPKHSZALZNPOH-BWZBUEFSSA-N -1 1 290.289 2.834 20 0 CFADMM CC[C@]1(C)CN(C(=O)c2ccc(Cl)cc2[O-])CCO1 ZINC000189305044 382587194 /nfs/dbraw/zinc/58/71/94/382587194.db2.gz XWYUDUFTSZWIOL-CQSZACIVSA-N -1 1 283.755 2.687 20 0 CFADMM [O-]c1cccc(CN2CCOC[C@@H]2C2CC2)c1Cl ZINC000295232164 382594905 /nfs/dbraw/zinc/59/49/05/382594905.db2.gz CXOXFDRPQLIVHB-GFCCVEGCSA-N -1 1 267.756 2.656 20 0 CFADMM COC[C@@H]1CCC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000295232257 382594934 /nfs/dbraw/zinc/59/49/34/382594934.db2.gz CYPFMEGVLPGHFR-LLVKDONJSA-N -1 1 269.772 2.904 20 0 CFADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(-c2ccco2)on1 ZINC000397104288 382632928 /nfs/dbraw/zinc/63/29/28/382632928.db2.gz PNJGWKQKIFGVBG-GHMZBOCLSA-N -1 1 290.319 2.620 20 0 CFADMM Oc1ccc(F)c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1F ZINC000295308435 382613757 /nfs/dbraw/zinc/61/37/57/382613757.db2.gz KIDACWIQJRCCTL-AOOOYVTPSA-N -1 1 253.292 2.902 20 0 CFADMM C[C@H](c1ccccc1)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000394923491 382628964 /nfs/dbraw/zinc/62/89/64/382628964.db2.gz OYTQQPITBLXFEZ-GFCCVEGCSA-N -1 1 270.332 2.973 20 0 CFADMM Cc1ccc2nc(C)c(C(=O)Nc3ccncc3[O-])cc2c1 ZINC000358350519 382582718 /nfs/dbraw/zinc/58/27/18/382582718.db2.gz IQKCVHQIRDOYRB-UHFFFAOYSA-N -1 1 293.326 2.626 20 0 CFADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])C(C)(C)C ZINC000399588942 382639329 /nfs/dbraw/zinc/63/93/29/382639329.db2.gz JWUNREUZGBTVIR-JTQLQIEISA-N -1 1 250.342 2.541 20 0 CFADMM Cc1nc2ccc(NC(=O)c3ccc(O)cc3[O-])cc2o1 ZINC000192540821 382710019 /nfs/dbraw/zinc/71/00/19/382710019.db2.gz JRITVWWGMYFSNX-UHFFFAOYSA-N -1 1 284.271 2.800 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC([C@H]2CCCO2)CC1 ZINC000191090880 382690953 /nfs/dbraw/zinc/69/09/53/382690953.db2.gz PZJOACLUPJJESK-OAHLLOKOSA-N -1 1 293.338 2.563 20 0 CFADMM C[C@H](c1ccccc1)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195174773 382763271 /nfs/dbraw/zinc/76/32/71/382763271.db2.gz UVOOMHGUGGIVDQ-SNVBAGLBSA-N -1 1 293.392 2.637 20 0 CFADMM C[C@H](c1ccccc1)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195174773 382763273 /nfs/dbraw/zinc/76/32/73/382763273.db2.gz UVOOMHGUGGIVDQ-SNVBAGLBSA-N -1 1 293.392 2.637 20 0 CFADMM C[C@H](c1ccccc1)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000195174773 382763276 /nfs/dbraw/zinc/76/32/76/382763276.db2.gz UVOOMHGUGGIVDQ-SNVBAGLBSA-N -1 1 293.392 2.637 20 0 CFADMM CC[C@H]1C[C@@H](C(=O)Nc2nc(Cl)ccc2[O-])CCO1 ZINC000194576584 382749025 /nfs/dbraw/zinc/74/90/25/382749025.db2.gz NFRRJTRZXMYYRF-IUCAKERBSA-N -1 1 284.743 2.584 20 0 CFADMM CSC1(CNC(=O)c2ccc([O-])cc2F)CCC1 ZINC000194624954 382750106 /nfs/dbraw/zinc/75/01/06/382750106.db2.gz MEGZKDKESLIOBF-UHFFFAOYSA-N -1 1 269.341 2.547 20 0 CFADMM CSc1ccc(CNCc2cc(C(=O)[O-])co2)cc1 ZINC000426713552 532958240 /nfs/dbraw/zinc/95/82/40/532958240.db2.gz HVIWUKVDNFDUHN-UHFFFAOYSA-N -1 1 277.345 2.990 20 0 CFADMM C[C@@]1(NC(=O)c2cc3ccccc3cc2[O-])CCCOC1 ZINC000221702566 382799454 /nfs/dbraw/zinc/79/94/54/382799454.db2.gz SYWKBZKAIFRGRF-QGZVFWFLSA-N -1 1 285.343 2.844 20 0 CFADMM COC(=O)c1c[n-]c(SCC23CCC(CC2)C3)n1 ZINC000575988177 382806131 /nfs/dbraw/zinc/80/61/31/382806131.db2.gz ZZQCXWRXHSNBEK-UHFFFAOYSA-N -1 1 266.366 2.869 20 0 CFADMM CCCc1nc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)cs1 ZINC000576398847 382821135 /nfs/dbraw/zinc/82/11/35/382821135.db2.gz AFTZTPMNYREULB-JQWIXIFHSA-N -1 1 282.409 2.638 20 0 CFADMM Cc1oc(C(=O)[O-])cc1C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000227125469 382833989 /nfs/dbraw/zinc/83/39/89/382833989.db2.gz WNBSWOIRNVNOPC-VHSXEESVSA-N -1 1 251.326 2.907 20 0 CFADMM CCC1(C(=O)Nc2cc(C(=O)OC)ccc2[O-])CCC1 ZINC000337567767 382843236 /nfs/dbraw/zinc/84/32/36/382843236.db2.gz ARSIJQGITJIYKO-UHFFFAOYSA-N -1 1 277.320 2.698 20 0 CFADMM CCC[C@H](C)CC(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000337574223 382844063 /nfs/dbraw/zinc/84/40/63/382844063.db2.gz GNAPHHIZEOQABW-JTQLQIEISA-N -1 1 279.336 2.944 20 0 CFADMM CC(C)CCC[N-]S(=O)(=O)c1cccc(F)c1F ZINC000337769951 382863407 /nfs/dbraw/zinc/86/34/07/382863407.db2.gz CADMYVIVMHBBMT-UHFFFAOYSA-N -1 1 277.336 2.679 20 0 CFADMM C[C@@H](O)[C@@H](C)SCc1cc(=O)oc2cc([O-])ccc12 ZINC000231181901 382864388 /nfs/dbraw/zinc/86/43/88/382864388.db2.gz FTLDJFCMMUHBIR-RKDXNWHRSA-N -1 1 280.345 2.501 20 0 CFADMM O=C(c1cccc2nn[nH]c21)N1CCC2(CCCC2)CC1 ZINC000577789565 382870630 /nfs/dbraw/zinc/87/06/30/382870630.db2.gz NMFWMRNFIROQMB-UHFFFAOYSA-N -1 1 284.363 2.754 20 0 CFADMM CC1([N-]S(=O)(=O)c2cccc(F)c2F)CCCC1 ZINC000337933312 382874011 /nfs/dbraw/zinc/87/40/11/382874011.db2.gz BYEVWLUKBHANFB-UHFFFAOYSA-N -1 1 275.320 2.576 20 0 CFADMM CCC[C@@H](C(=O)[O-])N1CCC[C@@H]1c1ccc(COC)o1 ZINC000578660698 382942565 /nfs/dbraw/zinc/94/25/65/382942565.db2.gz RFUUEMYDBBKFKL-OLZOCXBDSA-N -1 1 281.352 2.816 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000421889638 382962184 /nfs/dbraw/zinc/96/21/84/382962184.db2.gz OPEPMALZAIKTPY-UMNHJUIQSA-N -1 1 289.331 2.554 20 0 CFADMM CCCN(CCc1ccccn1)C(=O)c1ncc(C)cc1[O-] ZINC000494837251 382933014 /nfs/dbraw/zinc/93/30/14/382933014.db2.gz WUKXOGVOWBUORG-UHFFFAOYSA-N -1 1 299.374 2.586 20 0 CFADMM Cc1nc(S(=O)(=O)[N-]CCC2=CCCC2)sc1C ZINC000338148129 382934339 /nfs/dbraw/zinc/93/43/39/382934339.db2.gz SCQOUTKUQRFMCM-UHFFFAOYSA-N -1 1 286.422 2.539 20 0 CFADMM O=C(NCC1(C2CCC2)CCC1)C(=O)c1ccc([O-])cc1 ZINC000457158889 382973545 /nfs/dbraw/zinc/97/35/45/382973545.db2.gz KVPSCTQZZMQYKI-UHFFFAOYSA-N -1 1 287.359 2.662 20 0 CFADMM O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)c1cnn[nH]1 ZINC000579081148 382980305 /nfs/dbraw/zinc/98/03/05/382980305.db2.gz KMAIXTGRIAPHDK-ZYHUDNBSSA-N -1 1 290.754 2.524 20 0 CFADMM Cc1cnc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000447774079 383004599 /nfs/dbraw/zinc/00/45/99/383004599.db2.gz YKTRSYNSWABZOA-QWHCGFSZSA-N -1 1 286.306 2.521 20 0 CFADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1C[C@@H]1C(F)F ZINC000338364062 383005129 /nfs/dbraw/zinc/00/51/29/383005129.db2.gz COTUEDNTFRHRJX-UWVGGRQHSA-N -1 1 293.273 2.622 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](CCCO)C1 ZINC000457144695 382970615 /nfs/dbraw/zinc/97/06/15/382970615.db2.gz JVVCXLFLQMIQOC-CYBMUJFWSA-N -1 1 299.370 2.780 20 0 CFADMM CO[C@@H]1C[C@H](C(=O)[O-])N(Cc2ccc3ccccc3c2)C1 ZINC000579720536 383046937 /nfs/dbraw/zinc/04/69/37/383046937.db2.gz OPQRHZARTFDMRY-HZPDHXFCSA-N -1 1 285.343 2.514 20 0 CFADMM CCc1nc(S(=O)(=O)CC[C@H]2C[C@H](C)C[C@H](C)C2)n[n-]1 ZINC000246194607 383067201 /nfs/dbraw/zinc/06/72/01/383067201.db2.gz IHAIZFLLEJMGDN-GDNZZTSVSA-N -1 1 299.440 2.603 20 0 CFADMM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1ncccc1[O-] ZINC000458240686 383139281 /nfs/dbraw/zinc/13/92/81/383139281.db2.gz ILZIWWBQHZGCFA-NSHDSACASA-N -1 1 288.322 2.630 20 0 CFADMM O=C(NCc1ccc(C2CC2)cc1F)c1cncc([O-])c1 ZINC000552677161 383089817 /nfs/dbraw/zinc/08/98/17/383089817.db2.gz UJHYFGDLISUFRC-UHFFFAOYSA-N -1 1 286.306 2.734 20 0 CFADMM COC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC000339006859 383118062 /nfs/dbraw/zinc/11/80/62/383118062.db2.gz FRWPMXSEWQVKRR-UHFFFAOYSA-N -1 1 295.678 2.678 20 0 CFADMM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccccc1C(F)F ZINC000424065733 383173861 /nfs/dbraw/zinc/17/38/61/383173861.db2.gz MGQPAKCMFWMDQJ-SECBINFHSA-N -1 1 291.319 2.545 20 0 CFADMM Cc1cc(NC(=O)c2csc(=NC3CC3)[n-]2)cs1 ZINC000634424151 383189632 /nfs/dbraw/zinc/18/96/32/383189632.db2.gz NOIUWWKMNPIWKU-UHFFFAOYSA-N -1 1 279.390 2.762 20 0 CFADMM Cc1ccoc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339121602 383156537 /nfs/dbraw/zinc/15/65/37/383156537.db2.gz VNRSMCAKMWNRGE-UHFFFAOYSA-N -1 1 283.287 2.936 20 0 CFADMM O=S(=O)([N-][C@@H]1CCC[C@H]1F)c1cccc(Cl)c1F ZINC000339125382 383157748 /nfs/dbraw/zinc/15/77/48/383157748.db2.gz ZNBZOYLYSCZNEO-RKDXNWHRSA-N -1 1 295.738 2.648 20 0 CFADMM CCC[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)C1CCC1 ZINC000458330088 383165451 /nfs/dbraw/zinc/16/54/51/383165451.db2.gz LZMSENZAFKVDSP-CQSZACIVSA-N -1 1 275.348 2.660 20 0 CFADMM CCc1c(=O)n(-c2ccc(C)nn2)[n-]c1-c1ccccc1 ZINC000634600918 383262914 /nfs/dbraw/zinc/26/29/14/383262914.db2.gz XAXUXIGVVCTMTJ-CYBMUJFWSA-N -1 1 280.331 2.562 20 0 CFADMM CC1(C)C[C@H](n2[n-]c3c(c2=O)CCCCC3)CCO1 ZINC000634622219 383281585 /nfs/dbraw/zinc/28/15/85/383281585.db2.gz YVQCWZXJDXRJIO-VXGBXAGGSA-N -1 1 264.369 2.723 20 0 CFADMM O=c1c2c([n-]n1CC(F)(F)C(F)(F)F)CCCCC2 ZINC000634604639 383266536 /nfs/dbraw/zinc/26/65/36/383266536.db2.gz LVOSBCAXWSGTBR-SSDOTTSWSA-N -1 1 284.228 2.963 20 0 CFADMM CCCc1c(C)[n-]n(-c2ccncc2Cl)c1=O ZINC000634608991 383269018 /nfs/dbraw/zinc/26/90/18/383269018.db2.gz SNGVSIQEKKQMFW-VIFPVBQESA-N -1 1 251.717 2.874 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3cc(C(F)(F)F)ccn3)c(=O)c21 ZINC000634608863 383269102 /nfs/dbraw/zinc/26/91/02/383269102.db2.gz OPHPSIIOVCAFCJ-RDDDGLTNSA-N -1 1 283.253 2.849 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3cc(F)c(F)c(F)c3)c(=O)c21 ZINC000634613869 383274021 /nfs/dbraw/zinc/27/40/21/383274021.db2.gz KSBARJLGEPJBJP-KBUNVGBDSA-N -1 1 268.238 2.853 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3cccc(F)c3F)c(=O)c21 ZINC000634614022 383274314 /nfs/dbraw/zinc/27/43/14/383274314.db2.gz PHSJICNWGNMREI-CPCISQLKSA-N -1 1 250.248 2.714 20 0 CFADMM CCc1c(C)[n-]n(-c2nc(C(F)(F)F)cs2)c1=O ZINC000634615886 383275366 /nfs/dbraw/zinc/27/53/66/383275366.db2.gz VADASEXJSJWXNG-ZCFIWIBFSA-N -1 1 277.271 2.911 20 0 CFADMM Cc1[n-]n(-c2nc(C(F)(F)F)cs2)c(=O)c1C1CC1 ZINC000634615698 383275663 /nfs/dbraw/zinc/27/56/63/383275663.db2.gz ONTNKUVUKBQDFI-QMMMGPOBSA-N -1 1 289.282 2.911 20 0 CFADMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000520832635 383277302 /nfs/dbraw/zinc/27/73/02/383277302.db2.gz ODHSKNLLUKPYTM-HOMQSWHASA-N -1 1 289.347 2.822 20 0 CFADMM COc1cc(F)cc(-n2[n-]c3c(c2=O)[C@H](C)CC3)c1 ZINC000634618170 383277696 /nfs/dbraw/zinc/27/76/96/383277696.db2.gz IVDBRMVMKXWJQT-OQPBUACISA-N -1 1 262.284 2.583 20 0 CFADMM O=C([O-])COCCN1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000519412803 383214987 /nfs/dbraw/zinc/21/49/87/383214987.db2.gz NIPDXKSGCIJCTO-CQSZACIVSA-N -1 1 297.782 2.968 20 0 CFADMM Cc1cc(CN2CCC(OCC(C)C)CC2)oc1C(=O)[O-] ZINC000566860427 383219070 /nfs/dbraw/zinc/21/90/70/383219070.db2.gz LHGAACYDDXBUOW-UHFFFAOYSA-N -1 1 295.379 2.923 20 0 CFADMM CCc1c(=O)n(C)[n-]c1-c1cccc(C(F)(F)F)c1 ZINC000634583140 383246422 /nfs/dbraw/zinc/24/64/22/383246422.db2.gz MGDLAYRUFNLVPI-JTQLQIEISA-N -1 1 270.254 2.908 20 0 CFADMM CCc1nc(SCCOC(C)(C)C)[n-]c(=O)c1C ZINC000567916404 383331177 /nfs/dbraw/zinc/33/11/77/383331177.db2.gz UMDBUJSODKEEPE-UHFFFAOYSA-N -1 1 270.398 2.960 20 0 CFADMM C[C@@H](N=c1ccc(N2CC[C@H](C)C2)n[n-]1)c1ccccc1 ZINC000425219654 383341939 /nfs/dbraw/zinc/34/19/39/383341939.db2.gz HJFJLYMJFFKEBK-UONOGXRCSA-N -1 1 282.391 2.918 20 0 CFADMM CC[C@H](C)n1[n-]c(-c2ccc(OC)cc2)c(C)c1=O ZINC000634623259 383282804 /nfs/dbraw/zinc/28/28/04/383282804.db2.gz AQMVMDUZFLMIED-WDEREUQCSA-N -1 1 260.337 2.676 20 0 CFADMM CC(F)(F)CNC(=O)c1ccc2ccccc2c1[O-] ZINC000567536476 383285058 /nfs/dbraw/zinc/28/50/58/383285058.db2.gz IMHKFPZLOAODLQ-UHFFFAOYSA-N -1 1 265.259 2.930 20 0 CFADMM CCCc1[n-]n(C[C@H]2CCSC2)c(=O)c1CC ZINC000634628554 383287009 /nfs/dbraw/zinc/28/70/09/383287009.db2.gz AGHRTFUUFOGOQT-MNOVXSKESA-N -1 1 254.399 2.764 20 0 CFADMM Cc1c(C(=O)[O-])cccc1N1N=C2CC[C@@H](C)C[C@@H]2C1=O ZINC000634632910 383292513 /nfs/dbraw/zinc/29/25/13/383292513.db2.gz DSFUKHCEUUYLLG-SKDRFNHKSA-N -1 1 286.331 2.832 20 0 CFADMM Cc1c(C(=O)[O-])cccc1-n1[nH]c2c(c1=O)C[C@H](C)CC2 ZINC000634632910 383292519 /nfs/dbraw/zinc/29/25/19/383292519.db2.gz DSFUKHCEUUYLLG-SKDRFNHKSA-N -1 1 286.331 2.832 20 0 CFADMM Cc1cc(Br)c2c(c1)CCN([C@H](C)C(=O)[O-])C2 ZINC000634693653 383325277 /nfs/dbraw/zinc/32/52/77/383325277.db2.gz LMWZHRDSJXEDPG-SECBINFHSA-N -1 1 298.180 2.589 20 0 CFADMM O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc2ccccc2cc1[O-] ZINC000251604401 383391055 /nfs/dbraw/zinc/39/10/55/383391055.db2.gz FWYBQGFKEZLSET-LXZKKBNFSA-N -1 1 297.354 2.843 20 0 CFADMM O=C([O-])C[C@H]1CN(CCc2ccc3ccccc3c2)CCO1 ZINC000568059060 383350227 /nfs/dbraw/zinc/35/02/27/383350227.db2.gz RQRCVEUMPWXCPF-KRWDZBQOSA-N -1 1 299.370 2.558 20 0 CFADMM CCc1nc(SCC2(COC)CCC2)[n-]c(=O)c1C ZINC000568654868 383425117 /nfs/dbraw/zinc/42/51/17/383425117.db2.gz YNTUBSDZAYZGAS-UHFFFAOYSA-N -1 1 282.409 2.962 20 0 CFADMM Cc1cc(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])on1 ZINC000568771771 383436435 /nfs/dbraw/zinc/43/64/35/383436435.db2.gz DZQQZGOLEJLVFU-LBPRGKRZSA-N -1 1 288.347 2.706 20 0 CFADMM CCc1nc(=N[C@@H](CC(C)C)C(=O)OC(C)(C)C)s[n-]1 ZINC000485184250 383461106 /nfs/dbraw/zinc/46/11/06/383461106.db2.gz AURJTTXAOYQDEF-JTQLQIEISA-N -1 1 299.440 2.691 20 0 CFADMM C[C@@H]1CC[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C[C@H]1C ZINC000253559286 383464091 /nfs/dbraw/zinc/46/40/91/383464091.db2.gz FETGSBAAQYNZAX-UTUOFQBUSA-N -1 1 299.374 2.890 20 0 CFADMM CO[C@H](C)c1nc(CSc2ncc(C)c(=O)[n-]2)cs1 ZINC000569867503 383545806 /nfs/dbraw/zinc/54/58/06/383545806.db2.gz IBVBZZAZJHKFSD-MRVPVSSYSA-N -1 1 297.405 2.947 20 0 CFADMM CCc1cc(=O)[n-]c(SCC2CC(F)(F)C2)n1 ZINC000450915197 383548157 /nfs/dbraw/zinc/54/81/57/383548157.db2.gz ZCOJICWZCKUDKZ-UHFFFAOYSA-N -1 1 260.309 2.882 20 0 CFADMM Cc1cnc([C@H](C)Sc2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000488284801 383511847 /nfs/dbraw/zinc/51/18/47/383511847.db2.gz ZHLKESFCMOJWSE-JTQLQIEISA-N -1 1 276.365 2.751 20 0 CFADMM C[C@@H]1CCN(Cc2nc(C(=O)[O-])co2)[C@H]2CCCC[C@@H]12 ZINC000569612402 383519276 /nfs/dbraw/zinc/51/92/76/383519276.db2.gz WJMKOYQEGGQINH-MDZLAQPJSA-N -1 1 278.352 2.773 20 0 CFADMM Cc1noc(C)c1[N-]C(=O)c1c(C)onc1-c1ccccn1 ZINC000429353548 383521734 /nfs/dbraw/zinc/52/17/34/383521734.db2.gz KPDVBRKRSXFILF-UHFFFAOYSA-N -1 1 298.302 2.902 20 0 CFADMM CCC[C@@]1(C)CCCN(Cc2cc(C(=O)[O-])nn2C)C1 ZINC000635302468 383527193 /nfs/dbraw/zinc/52/71/93/383527193.db2.gz MSSITCXNCUURQF-HNNXBMFYSA-N -1 1 279.384 2.521 20 0 CFADMM C[C@H](NCc1cc(C(=O)[O-])nn1C)c1cc2ccccc2o1 ZINC000635305518 383528375 /nfs/dbraw/zinc/52/83/75/383528375.db2.gz XYZRMDCEPVBODB-JTQLQIEISA-N -1 1 299.330 2.715 20 0 CFADMM Cc1cccc(C2(NCc3cc(C(=O)[O-])nn3C)CCC2)c1 ZINC000635310917 383529759 /nfs/dbraw/zinc/52/97/59/383529759.db2.gz KADLIAZKMSHXDU-UHFFFAOYSA-N -1 1 299.374 2.596 20 0 CFADMM CCCc1cc([N-]S(=O)(=O)c2cc(C)cs2)[nH]n1 ZINC000450977963 383575602 /nfs/dbraw/zinc/57/56/02/383575602.db2.gz KUDAPOUEZYVURH-UHFFFAOYSA-N -1 1 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-1 1 266.366 2.578 20 0 CFADMM CC(C)C[C@H](CO)N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000274781390 385869615 /nfs/dbraw/zinc/86/96/15/385869615.db2.gz XUATZZMAJCKUOO-LLVKDONJSA-N -1 1 285.771 2.525 20 0 CFADMM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000275166918 385948900 /nfs/dbraw/zinc/94/89/00/385948900.db2.gz RMMXJTYXVBEGOU-NEPJUHHUSA-N -1 1 262.353 2.828 20 0 CFADMM CCOC(=O)CC(C)(C)CC(=O)Nc1ccc(F)cc1[O-] ZINC000288513530 197100149 /nfs/dbraw/zinc/10/01/49/197100149.db2.gz UESVGOMNSBVUAI-UHFFFAOYSA-N -1 1 297.326 2.839 20 0 CFADMM O=C(NC1CC(F)(F)C1)c1cc(Cl)ccc1[O-] ZINC000277069432 386122100 /nfs/dbraw/zinc/12/21/00/386122100.db2.gz ADHQTNWIRZHPSN-UHFFFAOYSA-N -1 1 261.655 2.573 20 0 CFADMM CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(O)c(F)c1 ZINC000681047206 542403758 /nfs/dbraw/zinc/40/37/58/542403758.db2.gz XIRBILAHPUMZJM-CYBMUJFWSA-N -1 1 294.370 2.526 20 0 CFADMM O=C(NC[C@H]1CCCC(F)(F)C1)C(=O)c1ccc([O-])cc1 ZINC000288226782 197031232 /nfs/dbraw/zinc/03/12/32/197031232.db2.gz 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/nfs/dbraw/zinc/40/62/34/542406234.db2.gz KOKSIWOPYRLXBZ-AWEZNQCLSA-N -1 1 295.354 2.592 20 0 CFADMM O=C(Nc1c(O)cccc1F)c1ccc([O-])c(F)c1 ZINC000681059304 542406564 /nfs/dbraw/zinc/40/65/64/542406564.db2.gz LUQJYOVONYDAPH-UHFFFAOYSA-N -1 1 265.215 2.628 20 0 CFADMM CC[C@@H](CC(F)(F)F)NC(=O)c1ccc([O-])c(F)c1 ZINC000681069873 542407350 /nfs/dbraw/zinc/40/73/50/542407350.db2.gz NZAWFAIZRLGMSC-QMMMGPOBSA-N -1 1 279.233 2.992 20 0 CFADMM c1oc2ccccc2c1CNC1(c2nnn[n-]2)CCCC1 ZINC000681163854 542420431 /nfs/dbraw/zinc/42/04/31/542420431.db2.gz ASMVWRUPXWMRAH-UHFFFAOYSA-N -1 1 283.335 2.505 20 0 CFADMM CO[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])[C@H](C)C1 ZINC000281644319 195319424 /nfs/dbraw/zinc/31/94/24/195319424.db2.gz BYUQYYIELKIGJS-MWLCHTKSSA-N -1 1 283.755 2.685 20 0 CFADMM CCCCC[C@@H](CC)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000283308633 195836970 /nfs/dbraw/zinc/83/69/70/195836970.db2.gz WFYJRLRZWFCHOC-NODXGKJPSA-N -1 1 288.395 2.887 20 0 CFADMM COc1cc(C(=O)N2CC[C@@H](C)[C@@H]2C)cc(Cl)c1[O-] 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ZINC000262690204 131251578 /nfs/dbraw/zinc/25/15/78/131251578.db2.gz GCMODIDFQPLKJL-UHFFFAOYSA-N -1 1 259.305 2.830 20 0 CFADMM Cc1c2cccc(C)c2oc1C(=O)[N-]N1CCCCC1=O ZINC000263855554 131346831 /nfs/dbraw/zinc/34/68/31/131346831.db2.gz ZRNDPPDOYAHGAS-UHFFFAOYSA-N -1 1 286.331 2.707 20 0 CFADMM CC(C)(O)CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000683862860 542735242 /nfs/dbraw/zinc/73/52/42/542735242.db2.gz NKDCBFJVSBXRBH-UHFFFAOYSA-N -1 1 257.717 2.535 20 0 CFADMM CN(C(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCCC[C@H]1O ZINC000318297755 393527736 /nfs/dbraw/zinc/52/77/36/393527736.db2.gz RUICISHHAHYDCD-HZPDHXFCSA-N -1 1 299.370 2.921 20 0 CFADMM COC1(CNC(=O)c2ccc([O-])c(F)c2)CCC(C)CC1 ZINC000684499759 542819451 /nfs/dbraw/zinc/81/94/51/542819451.db2.gz GUSAXUIFXMRGDJ-UHFFFAOYSA-N -1 1 295.354 2.856 20 0 CFADMM COc1ccc(CN(C)Cc2occc2C(=O)[O-])cc1 ZINC000048894527 393608045 /nfs/dbraw/zinc/60/80/45/393608045.db2.gz VVFAUTXHQZQYIE-UHFFFAOYSA-N -1 1 275.304 2.618 20 0 CFADMM COCc1ccc(-c2nc(=O)c3sccc3[n-]2)cc1 ZINC000048622973 393591176 /nfs/dbraw/zinc/59/11/76/393591176.db2.gz QIPXSQIIQJGOMQ-UHFFFAOYSA-N -1 1 272.329 2.798 20 0 CFADMM O=C(Nc1cnns1)Nc1ccc([O-])c(Cl)c1 ZINC000192349795 393622433 /nfs/dbraw/zinc/62/24/33/393622433.db2.gz GCDYKOCBWRWDTG-UHFFFAOYSA-N -1 1 270.701 2.541 20 0 CFADMM O=C(NCCCNc1ccccc1)c1cc(F)ccc1[O-] ZINC000081958743 393737969 /nfs/dbraw/zinc/73/79/69/393737969.db2.gz CDSAFCPQQUEZNP-UHFFFAOYSA-N -1 1 288.322 2.763 20 0 CFADMM O=S(=O)([N-]C(C1CC1)C1CC1)c1cc2ccccc2o1 ZINC000084936273 393750718 /nfs/dbraw/zinc/75/07/18/393750718.db2.gz SRUTVUSFFSDXSY-UHFFFAOYSA-N -1 1 291.372 2.900 20 0 CFADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])nn1C(C)C ZINC000336196953 393722596 /nfs/dbraw/zinc/72/25/96/393722596.db2.gz GYRZDIQVKDWBOF-UHFFFAOYSA-N -1 1 277.299 2.869 20 0 CFADMM Cc1ccc(NC(=O)c2cc(F)ccc2[O-])c(O)c1 ZINC000080000932 393723278 /nfs/dbraw/zinc/72/32/78/393723278.db2.gz ZDBDFIUTAZAREJ-UHFFFAOYSA-N -1 1 261.252 2.798 20 0 CFADMM CCOC(=O)CCCCCSc1nc(CC)cc(=O)[n-]1 ZINC000195069421 393729988 /nfs/dbraw/zinc/72/99/88/393729988.db2.gz DPEDOPTUBNJOTP-UHFFFAOYSA-N -1 1 298.408 2.548 20 0 CFADMM CCC(C)(C)OCC(=O)Nc1ccc([O-])c(F)c1F ZINC000457880022 393794992 /nfs/dbraw/zinc/79/49/92/393794992.db2.gz QBQUPOQPTYKAGV-UHFFFAOYSA-N -1 1 273.279 2.814 20 0 CFADMM COc1ccc(-c2nc(-c3cccnc3)no2)c([O-])c1 ZINC000111686891 393886531 /nfs/dbraw/zinc/88/65/31/393886531.db2.gz JDAQKAAPOKBTNB-UHFFFAOYSA-N -1 1 269.260 2.513 20 0 CFADMM C[C@H](Cc1ccccc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000112043710 393889004 /nfs/dbraw/zinc/88/90/04/393889004.db2.gz QFQMVKCQHMXQDQ-MRVPVSSYSA-N -1 1 298.268 2.641 20 0 CFADMM O=C(N[C@H](CO)CC1CCCCC1)c1c([O-])cccc1F ZINC000416326385 393905134 /nfs/dbraw/zinc/90/51/34/393905134.db2.gz MENRHYHWYFURQX-LBPRGKRZSA-N -1 1 295.354 2.592 20 0 CFADMM C[C@H]1CCC[N@H+](Cc2cccc([O-])c2Cl)[C@H]1C(=O)[O-] ZINC000424419076 393845723 /nfs/dbraw/zinc/84/57/23/393845723.db2.gz ZQRJLTXPDQSXHP-TVQRCGJNSA-N -1 1 283.755 2.731 20 0 CFADMM C[C@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)[C@H]1C(=O)[O-] ZINC000424419076 393845726 /nfs/dbraw/zinc/84/57/26/393845726.db2.gz ZQRJLTXPDQSXHP-TVQRCGJNSA-N -1 1 283.755 2.731 20 0 CFADMM O=C(Nc1nccn1Cc1ccccc1)c1ccccc1[O-] ZINC000436810936 394023015 /nfs/dbraw/zinc/02/30/15/394023015.db2.gz SXJVZFPDGWUEOT-UHFFFAOYSA-N -1 1 293.326 2.889 20 0 CFADMM O=C(NCCc1cc(F)cc(F)c1)c1c([O-])cccc1F ZINC000121923865 393961908 /nfs/dbraw/zinc/96/19/08/393961908.db2.gz GWPXWTGMFWASAQ-UHFFFAOYSA-N -1 1 295.260 2.782 20 0 CFADMM Cc1ccc(CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)s1 ZINC000417584351 393979926 /nfs/dbraw/zinc/97/99/26/393979926.db2.gz MRPWBVTXJJFYCJ-PWSUYJOCSA-N -1 1 285.409 2.803 20 0 CFADMM Cc1cc(F)c(CN[C@@H]2C=C[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000417614703 393984208 /nfs/dbraw/zinc/98/42/08/393984208.db2.gz FOBDTURASNGITO-VHSXEESVSA-N -1 1 283.730 2.906 20 0 CFADMM Cc1ccc(CNCc2ccc(C(=O)[O-])c(C)c2)nc1 ZINC000417670004 393991819 /nfs/dbraw/zinc/99/18/19/393991819.db2.gz NJDZLMZTJLPAOU-UHFFFAOYSA-N -1 1 270.332 2.686 20 0 CFADMM Cc1cncc(CNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000124189597 393992256 /nfs/dbraw/zinc/99/22/56/393992256.db2.gz XLHIMEURBXBORV-UHFFFAOYSA-N -1 1 276.723 2.679 20 0 CFADMM CN(CCc1ccccc1O)C(=O)c1cc(F)ccc1[O-] ZINC000436831435 394025563 /nfs/dbraw/zinc/02/55/63/394025563.db2.gz GEYURCZZQQTQOX-UHFFFAOYSA-N -1 1 289.306 2.552 20 0 CFADMM CC1(CC(=O)N=c2cc(-c3cccs3)[n-][nH]2)CC1 ZINC000430664759 394002796 /nfs/dbraw/zinc/00/27/96/394002796.db2.gz PBAQAIHHAUXNCX-UHFFFAOYSA-N -1 1 261.350 2.689 20 0 CFADMM C[C@H](c1nc(-c2ccccc2)no1)N(C)CCCC(=O)[O-] ZINC000430667974 394003460 /nfs/dbraw/zinc/00/34/60/394003460.db2.gz GXNZJVNUYRXDCW-LLVKDONJSA-N -1 1 289.335 2.594 20 0 CFADMM CN(C)c1ccccc1CNC(=O)c1c([O-])cccc1F ZINC000436958893 394038380 /nfs/dbraw/zinc/03/83/80/394038380.db2.gz AKHSMPMDSONHTQ-UHFFFAOYSA-N -1 1 288.322 2.527 20 0 CFADMM C[C@@H](CCNC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436962548 394038532 /nfs/dbraw/zinc/03/85/32/394038532.db2.gz MAOHRWDYBGQPKE-ZDUSSCGKSA-N -1 1 297.354 2.885 20 0 CFADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccon1 ZINC000436974311 394039182 /nfs/dbraw/zinc/03/91/82/394039182.db2.gz XVHPNNSEUNLLKZ-SSDOTTSWSA-N -1 1 266.684 2.525 20 0 CFADMM CC(C)O[C@@H]1C[C@H](NC(=O)c2ccc([O-])cc2F)C1(C)C ZINC000274371915 394041824 /nfs/dbraw/zinc/04/18/24/394041824.db2.gz QIUWYGMUYVYSDK-UONOGXRCSA-N -1 1 295.354 2.853 20 0 CFADMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ncccc1[O-] ZINC000437379135 394055369 /nfs/dbraw/zinc/05/53/69/394055369.db2.gz FMAPMDZAWATDJZ-NWDGAFQWSA-N -1 1 288.734 2.727 20 0 CFADMM O=C(/C=C/c1c(F)cccc1F)[N-]O[C@@H]1CCCCO1 ZINC000128131075 394064039 /nfs/dbraw/zinc/06/40/39/394064039.db2.gz KZBIYWICXICGLV-HSBSLETESA-N -1 1 283.274 2.552 20 0 CFADMM O=C(NC1(C(F)F)CCCCC1)C(=O)c1ccc([O-])cc1 ZINC000436854254 394028774 /nfs/dbraw/zinc/02/87/74/394028774.db2.gz GIZVKWVTUVAWLY-UHFFFAOYSA-N -1 1 297.301 2.659 20 0 CFADMM CCCc1cc(NC(=O)c2ccc(CC)cc2[O-])n(C)n1 ZINC000436845157 394028943 /nfs/dbraw/zinc/02/89/43/394028943.db2.gz 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288646161 /nfs/dbraw/zinc/64/61/61/288646161.db2.gz QKMDWCOKGDSVJL-DTORHVGOSA-N -1 1 269.291 2.789 20 0 CFADMM Cc1cc(NC(=O)[C@](C)(N)c2ccccc2)ccc1C(=O)[O-] ZINC000315719402 290019740 /nfs/dbraw/zinc/01/97/40/290019740.db2.gz DSGTWACOWKMSDV-QGZVFWFLSA-N -1 1 298.342 2.506 20 0 CFADMM C[C@H]1c2ccsc2CCN1C(=O)c1cccc2nn[nH]c21 ZINC000562484896 290047243 /nfs/dbraw/zinc/04/72/43/290047243.db2.gz JGKQKWLGPQXFBV-VIFPVBQESA-N -1 1 298.371 2.779 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N3CC(C)=C[C@H](C)C3)cnc2n1 ZINC000562490531 290047919 /nfs/dbraw/zinc/04/79/19/290047919.db2.gz KYAKYDVRPIPPAI-JTQLQIEISA-N -1 1 297.358 2.682 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC(C)=C[C@H](C)C1)c2=O ZINC000562490531 290047921 /nfs/dbraw/zinc/04/79/21/290047921.db2.gz KYAKYDVRPIPPAI-JTQLQIEISA-N -1 1 297.358 2.682 20 0 CFADMM CCO[C@H](CC)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000563189351 290115466 /nfs/dbraw/zinc/11/54/66/290115466.db2.gz JESKMVHIPKWEJM-CYBMUJFWSA-N -1 1 289.335 2.536 20 0 CFADMM 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268.357 2.686 20 0 CFADMM CCc1nc(SCCc2c(C)noc2C)[n-]c(=O)c1C ZINC000565490614 290305268 /nfs/dbraw/zinc/30/52/68/290305268.db2.gz JLZILDAUJZWECK-UHFFFAOYSA-N -1 1 293.392 2.993 20 0 CFADMM O=C([O-])c1ccoc1CN1CCC[C@@H]1c1ccco1 ZINC000565545205 290309194 /nfs/dbraw/zinc/30/91/94/290309194.db2.gz YSBYCBDKHHNUGK-LLVKDONJSA-N -1 1 261.277 2.908 20 0 CFADMM [O-]c1cccnc1CN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000565743922 290321191 /nfs/dbraw/zinc/32/11/91/290321191.db2.gz OQLXYKMUXCJAIP-UHFFFAOYSA-N -1 1 297.333 2.966 20 0 CFADMM C[C@H](N[C@@H](C)[C@H](C)C(=O)[O-])c1nc(-c2cccs2)no1 ZINC000568062651 290519744 /nfs/dbraw/zinc/51/97/44/290519744.db2.gz LDGRFCACKXMCAP-CIUDSAMLSA-N -1 1 295.364 2.558 20 0 CFADMM Cc1nc(S[C@H]2C[C@@H](C)CCC2=O)[n-]c(=O)c1C ZINC000450900922 293356899 /nfs/dbraw/zinc/35/68/99/293356899.db2.gz GKRSFMNJKWHWRI-CPCISQLKSA-N -1 1 266.366 2.649 20 0 CFADMM FC(F)(F)c1[n-]c(=NC2CC2)sc1Br ZINC000418803865 294680555 /nfs/dbraw/zinc/68/05/55/294680555.db2.gz FJTILCLXBLXFGB-UHFFFAOYSA-N 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/nfs/dbraw/zinc/32/10/51/322321051.db2.gz NMRMGGFPSCDIDO-MPKXVKKWSA-N -1 1 295.766 2.733 20 0 CFADMM O=C(NCc1ncccc1F)c1cc(Cl)ccc1[O-] ZINC000162561559 322366349 /nfs/dbraw/zinc/36/63/49/322366349.db2.gz YVTSPNZRTOQQQX-UHFFFAOYSA-N -1 1 280.686 2.510 20 0 CFADMM C[C@H](NC(=O)c1cnn[nH]1)c1cc2ccccc2s1 ZINC000170952675 322396227 /nfs/dbraw/zinc/39/62/27/322396227.db2.gz UXJHTHCIFJTZTD-QMMMGPOBSA-N -1 1 272.333 2.510 20 0 CFADMM CCC[C@@H](CC)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000171088455 322399986 /nfs/dbraw/zinc/39/99/86/322399986.db2.gz XUBMLSSAFSNMHQ-SECBINFHSA-N -1 1 277.336 2.822 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2snnc2C)n1 ZINC000569891103 322502330 /nfs/dbraw/zinc/50/23/30/322502330.db2.gz PGJJZVKWJYZRDL-UHFFFAOYSA-N -1 1 282.394 2.587 20 0 CFADMM CCc1nc(S[C@@H]2CCC[C@@H]2OC)[n-]c(=O)c1C ZINC000570584073 322540500 /nfs/dbraw/zinc/54/05/00/322540500.db2.gz RYYBRTTZNKVEGD-WDEREUQCSA-N -1 1 268.382 2.713 20 0 CFADMM O=C(NCCCC1CC1)c1c(F)ccc([O-])c1F ZINC000573909602 322673307 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[O-]c1ccc(-c2nc(-c3cnc4ccccn43)no2)c(F)c1 ZINC000350885322 324278013 /nfs/dbraw/zinc/27/80/13/324278013.db2.gz CDSGMWMUPUCQCF-UHFFFAOYSA-N -1 1 296.261 2.896 20 0 CFADMM [O-]c1ccc(-c2noc(CC3(O)CCC3)n2)c(Cl)c1 ZINC000351101963 324311665 /nfs/dbraw/zinc/31/16/65/324311665.db2.gz YJTJTWHPBPBPRT-UHFFFAOYSA-N -1 1 280.711 2.553 20 0 CFADMM O=C([O-])c1coc(=N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)[nH]1 ZINC000581827593 325151754 /nfs/dbraw/zinc/15/17/54/325151754.db2.gz WHHGRXVZEWWFTI-HOMQSWHASA-N -1 1 292.722 2.806 20 0 CFADMM Cc1cnc(C(=O)N2CCC[C@@H](c3ccncc3)C2)c([O-])c1 ZINC000582012508 325169102 /nfs/dbraw/zinc/16/91/02/325169102.db2.gz JSTZESTUAGTHMF-CQSZACIVSA-N -1 1 297.358 2.510 20 0 CFADMM O=C([O-])CN(Cc1c(F)cccc1Cl)C1CCC1 ZINC000582251795 325189647 /nfs/dbraw/zinc/18/96/47/325189647.db2.gz HUPKJRYETMRYMR-UHFFFAOYSA-N -1 1 271.719 2.918 20 0 CFADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(C(C)(C)C)on1 ZINC000583144206 325263322 /nfs/dbraw/zinc/26/33/22/325263322.db2.gz VXLCYZVOWAXOKK-QWRGUYRKSA-N -1 1 280.368 2.657 20 0 CFADMM CC[C@@](C)(C(=O)[O-])N(Cc1nc(C)cs1)CC1CC1 ZINC000583823737 325313650 /nfs/dbraw/zinc/31/36/50/325313650.db2.gz GODBGXADHFKLFY-AWEZNQCLSA-N -1 1 282.409 2.917 20 0 CFADMM O=C([O-])[C@H](c1cccnc1)[N@H+]1CCCc2ccccc2C1 ZINC000584118927 325332081 /nfs/dbraw/zinc/33/20/81/325332081.db2.gz QPDQENXPVGKKGZ-INIZCTEOSA-N -1 1 282.343 2.656 20 0 CFADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc2n(n1)CCCC2 ZINC000584116997 325332111 /nfs/dbraw/zinc/33/21/11/325332111.db2.gz RDDQKQJOJBMJSL-GFCCVEGCSA-N -1 1 285.413 2.540 20 0 CFADMM CC(C)CCSCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000048963141 519678971 /nfs/dbraw/zinc/67/89/71/519678971.db2.gz AUWNWUIIKLRGQL-UHFFFAOYSA-N -1 1 296.318 2.541 20 0 CFADMM CCOC(=O)c1ccnc(-c2ccc([O-])c(F)c2F)c1 ZINC001243337687 782142910 /nfs/dbraw/zinc/14/29/10/782142910.db2.gz AYCDGXKAYSVLPL-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM COc1ccc(-c2ccc([O-])c(F)c2F)nc1OC ZINC001243338237 782143189 /nfs/dbraw/zinc/14/31/89/782143189.db2.gz 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/nfs/dbraw/zinc/14/92/21/782149221.db2.gz HEBRMBSUQYRKQO-UHFFFAOYSA-N -1 1 275.254 2.510 20 0 CFADMM COC(=O)c1cc(-c2ccc([O-])c(F)c2F)ccn1 ZINC001243343113 782149103 /nfs/dbraw/zinc/14/91/03/782149103.db2.gz XAPWNBBMTQVKFQ-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM C[C@@H](Cc1cccs1)NC(=O)c1c([O-])cccc1F ZINC000163770724 534256219 /nfs/dbraw/zinc/25/62/19/534256219.db2.gz LJJIETGNYFXQNR-VIFPVBQESA-N -1 1 279.336 2.954 20 0 CFADMM CC(C)CN(C(=O)c1nc2ccccc2c(=O)[n-]1)C1CC1 ZINC000074275014 519707983 /nfs/dbraw/zinc/70/79/83/519707983.db2.gz YUEWJUQHNOBXHM-UHFFFAOYSA-N -1 1 285.347 2.596 20 0 CFADMM CC(C)[C@H]1C[C@H]1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000361354817 519827990 /nfs/dbraw/zinc/82/79/90/519827990.db2.gz XZEBILFZDKYPJU-NXEZZACHSA-N -1 1 275.377 2.791 20 0 CFADMM CCN(C(=O)c1nc2ccccc2c(=O)[n-]1)C1CC(C)(C)C1 ZINC000334839837 520124321 /nfs/dbraw/zinc/12/43/21/520124321.db2.gz BPRAYCZFEQKRLW-UHFFFAOYSA-N -1 1 299.374 2.574 20 0 CFADMM CCCCC[C@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000339960642 520314954 /nfs/dbraw/zinc/31/49/54/520314954.db2.gz URKQNRIPYVBQSW-ZDUSSCGKSA-N -1 1 262.353 2.972 20 0 CFADMM CCCCN(CC)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000074273575 520476880 /nfs/dbraw/zinc/47/68/80/520476880.db2.gz GNPFRGMNPUDYHS-UHFFFAOYSA-N -1 1 273.336 2.598 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2cncc(OC)c2)n1 ZINC000361072553 521383430 /nfs/dbraw/zinc/38/34/30/521383430.db2.gz HUANRIGDLYXDRL-UHFFFAOYSA-N -1 1 291.376 2.831 20 0 CFADMM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])CCO1 ZINC000155844559 521611188 /nfs/dbraw/zinc/61/11/88/521611188.db2.gz OQPBTXDQUKXERF-JSGCOSHPSA-N -1 1 292.379 2.501 20 0 CFADMM CCOCCC1(CN=c2nc([C@H](C)OC)[n-]s2)CCC1 ZINC000337879975 521682220 /nfs/dbraw/zinc/68/22/20/521682220.db2.gz TZIVEBFQBDORLS-NSHDSACASA-N -1 1 299.440 2.676 20 0 CFADMM COc1cc(C(=O)N2C[C@@H](C)[C@H](C)C2)cc(Cl)c1[O-] ZINC000336405292 522096092 /nfs/dbraw/zinc/09/60/92/522096092.db2.gz RMSQCLFIQCGYLP-RKDXNWHRSA-N -1 1 283.755 2.782 20 0 CFADMM CCc1csc(NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC000336452001 522108028 /nfs/dbraw/zinc/10/80/28/522108028.db2.gz YMMHTJDBPIMDMM-UHFFFAOYSA-N -1 1 284.287 2.942 20 0 CFADMM CN(C)c1ccc(S(=O)(=O)[N-]c2ccsc2)cc1 ZINC000336471834 522242958 /nfs/dbraw/zinc/24/29/58/522242958.db2.gz QIUNEHZHMFINHX-UHFFFAOYSA-N -1 1 282.390 2.615 20 0 CFADMM CC[C@H](Cc1ccccc1)NC(=O)c1ncccc1[O-] ZINC000340945527 522316575 /nfs/dbraw/zinc/31/65/75/522316575.db2.gz BBOCKGCMUWPNGK-CYBMUJFWSA-N -1 1 270.332 2.538 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N(Cc1cccnc1)C1CC1 ZINC000179375792 534667676 /nfs/dbraw/zinc/66/76/76/534667676.db2.gz YLBVLXHUZVZDSV-UHFFFAOYSA-N -1 1 286.306 2.731 20 0 CFADMM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000340897212 523136222 /nfs/dbraw/zinc/13/62/22/523136222.db2.gz ZTIQLNDCLYLKRZ-ONGXEEELSA-N -1 1 289.347 2.822 20 0 CFADMM COCc1nc(=NC[C@@H]2CCC[C@@H](C)[C@H]2C)s[n-]1 ZINC000360265985 523166428 /nfs/dbraw/zinc/16/64/28/523166428.db2.gz JSBBSOXKDDMKHK-MXWKQRLJSA-N -1 1 269.414 2.591 20 0 CFADMM Cc1cccc(CN(C)C(=O)c2ncc(C)cc2[O-])c1 ZINC000426438431 534701125 /nfs/dbraw/zinc/70/11/25/534701125.db2.gz DIYSJAHNYIYRHO-UHFFFAOYSA-N -1 1 270.332 2.676 20 0 CFADMM CCn1nccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000336585160 523739772 /nfs/dbraw/zinc/73/97/72/523739772.db2.gz UGQBCJWMOUJPPW-UHFFFAOYSA-N -1 1 280.715 2.906 20 0 CFADMM CCc1cc(NC(=O)c2cncc([O-])c2)ccc1F ZINC000340747602 523820137 /nfs/dbraw/zinc/82/01/37/523820137.db2.gz FUFJDKDGYHIYNB-UHFFFAOYSA-N -1 1 260.268 2.741 20 0 CFADMM CO[C@H](C)c1nc(=N[C@@H]2C[C@@H](OC(C)C)C2(C)C)s[n-]1 ZINC000337865800 523908511 /nfs/dbraw/zinc/90/85/11/523908511.db2.gz KTNDGPSGXJZNOQ-GMTAPVOTSA-N -1 1 299.440 2.671 20 0 CFADMM CN(C(=O)c1cc(F)ccc1[O-])C1(C)CCCC1 ZINC000336157880 523921820 /nfs/dbraw/zinc/92/18/20/523921820.db2.gz FLTLWRIOMFNLFX-UHFFFAOYSA-N -1 1 251.301 2.936 20 0 CFADMM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2sccc2F)C1 ZINC000338873908 524198357 /nfs/dbraw/zinc/19/83/57/524198357.db2.gz XINULZVTFLZVNY-UWVGGRQHSA-N -1 1 291.413 2.992 20 0 CFADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000073891067 524300919 /nfs/dbraw/zinc/30/09/19/524300919.db2.gz UTLCHFINXBSUJG-VXGBXAGGSA-N -1 1 299.374 2.986 20 0 CFADMM C[C@H]1CN(C(=O)c2ccc(Br)c([O-])c2)C[C@@H]1C ZINC000231349209 524528752 /nfs/dbraw/zinc/52/87/52/524528752.db2.gz KODASBLUMUNFOS-IUCAKERBSA-N -1 1 298.180 2.883 20 0 CFADMM Cc1cc(C)n([C@H](C)C(=O)Nc2ccc([O-])c(F)c2F)n1 ZINC000335021376 524555281 /nfs/dbraw/zinc/55/52/81/524555281.db2.gz PDCUDFXZAUQHNQ-SECBINFHSA-N -1 1 295.289 2.683 20 0 CFADMM C[C@H](F)CC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000339033761 524808689 /nfs/dbraw/zinc/80/86/89/524808689.db2.gz HWSZLUKHIKWJQN-ZETCQYMHSA-N -1 1 283.727 2.506 20 0 CFADMM C[C@]1(C(=O)[O-])CCN(Cc2cccc(Cl)c2F)C1 ZINC000167040963 525232349 /nfs/dbraw/zinc/23/23/49/525232349.db2.gz AWXMTIVHEACQSH-ZDUSSCGKSA-N -1 1 271.719 2.776 20 0 CFADMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sccc2Cl)CS1 ZINC000334894000 525272551 /nfs/dbraw/zinc/27/25/51/525272551.db2.gz VDTNUECVHSNRFB-RNFRBKRXSA-N -1 1 297.854 2.574 20 0 CFADMM C[C@@H](NC(=O)c1ncccc1[O-])c1ccccc1Cl ZINC000049512110 525382731 /nfs/dbraw/zinc/38/27/31/525382731.db2.gz JFJPXBGTIURSIT-SECBINFHSA-N -1 1 276.723 2.932 20 0 CFADMM CSCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000336214911 525762017 /nfs/dbraw/zinc/76/20/17/525762017.db2.gz PPSWOVOANNHSPE-UHFFFAOYSA-N -1 1 256.714 2.959 20 0 CFADMM Cc1cnc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000334852536 525968911 /nfs/dbraw/zinc/96/89/11/525968911.db2.gz GINNMHOJSNNMJO-CHWSQXEVSA-N -1 1 274.364 2.890 20 0 CFADMM Cc1cnc(C(=O)N[C@H]2CCCc3c(O)cccc32)c([O-])c1 ZINC000360335308 525975597 /nfs/dbraw/zinc/97/55/97/525975597.db2.gz GLPPVKLCWORDHR-ZDUSSCGKSA-N -1 1 298.342 2.609 20 0 CFADMM Cc1cncc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1 ZINC000232074439 526210281 /nfs/dbraw/zinc/21/02/81/526210281.db2.gz KOEAFMKRSWAJDN-UHFFFAOYSA-N -1 1 294.351 2.947 20 0 CFADMM O=C([O-])c1coc(CNCc2cccc(Cl)c2)c1 ZINC000228171380 526405590 /nfs/dbraw/zinc/40/55/90/526405590.db2.gz QDXMGCNRMADYGD-UHFFFAOYSA-N -1 1 265.696 2.921 20 0 CFADMM O=C(NC[C@@H]1CCCC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000158261355 526512145 /nfs/dbraw/zinc/51/21/45/526512145.db2.gz BOFDIWLGLZEMRO-XJKSGUPXSA-N -1 1 299.370 2.826 20 0 CFADMM Cc1n[nH]c([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1C ZINC000229381297 526526743 /nfs/dbraw/zinc/52/67/43/526526743.db2.gz AABZYXHZHHXVDF-UHFFFAOYSA-N -1 1 297.355 2.583 20 0 CFADMM Cc1nc(-c2ccc(NCC(C)(C)C)nc2)[n-]c(=O)c1C ZINC000174698389 526577685 /nfs/dbraw/zinc/57/76/85/526577685.db2.gz RYUQQAKNMCUDAS-UHFFFAOYSA-N -1 1 286.379 2.907 20 0 CFADMM O=C(CCc1ccccc1O)Nc1ccc(F)cc1[O-] ZINC000340329605 526615391 /nfs/dbraw/zinc/61/53/91/526615391.db2.gz YJWOTEVHHUTWJU-UHFFFAOYSA-N -1 1 275.279 2.808 20 0 CFADMM NC(=O)c1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000328390994 527085692 /nfs/dbraw/zinc/08/56/92/527085692.db2.gz UINWIUZIYSYBCF-UHFFFAOYSA-N -1 1 276.723 2.757 20 0 CFADMM O=C(Nc1cc2c(cn1)CCC2)c1ccc([O-])cc1F ZINC000336360996 527132660 /nfs/dbraw/zinc/13/26/60/527132660.db2.gz XAYKJXGSTMIOLJ-UHFFFAOYSA-N -1 1 272.279 2.667 20 0 CFADMM O=C(C[C@H]1C=CCC1)Nc1ccc([O-])c(F)c1F ZINC000335021301 527157514 /nfs/dbraw/zinc/15/75/14/527157514.db2.gz MPBPPPYQWHNRAT-QMMMGPOBSA-N -1 1 253.248 2.965 20 0 CFADMM O=S(=O)(Cc1cccc(F)c1)c1ccc([O-])cc1 ZINC000049489116 527194947 /nfs/dbraw/zinc/19/49/47/527194947.db2.gz RMEWLCGJMPOXPJ-UHFFFAOYSA-N -1 1 266.293 2.505 20 0 CFADMM O=S(=O)([N-]C1CCCCC1)c1cc(F)c(F)cc1F ZINC000357360692 527209163 /nfs/dbraw/zinc/20/91/63/527209163.db2.gz IFTZUHJVWMNIIR-UHFFFAOYSA-N -1 1 293.310 2.715 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2nccnc2c1 ZINC000340331654 527214211 /nfs/dbraw/zinc/21/42/11/527214211.db2.gz ZJGVUCBHJPCGAM-UHFFFAOYSA-N -1 1 283.262 2.727 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cncs1 ZINC000227686768 527236011 /nfs/dbraw/zinc/23/60/11/527236011.db2.gz NSCXHZIHCQDKPN-UHFFFAOYSA-N -1 1 254.698 2.754 20 0 CFADMM O=C(Cc1ccc2c(c1)CCO2)Nc1ccc(F)cc1[O-] ZINC000336337556 527250442 /nfs/dbraw/zinc/25/04/42/527250442.db2.gz WKXBRDMASDXVMN-UHFFFAOYSA-N -1 1 287.290 2.647 20 0 CFADMM O=C(Nc1cccc(-c2nc[nH]n2)c1)c1ccc([O-])cc1F ZINC000364871542 527313698 /nfs/dbraw/zinc/31/36/98/527313698.db2.gz KFQCBWCUPZEEFR-UHFFFAOYSA-N -1 1 298.277 2.569 20 0 CFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc2cc[nH]c21 ZINC000079700492 527495151 /nfs/dbraw/zinc/49/51/51/527495151.db2.gz CWFMGEVYCDHGCM-UHFFFAOYSA-N -1 1 295.224 2.557 20 0 CFADMM O=C(Nc1nnn[n-]1)c1ccccc1Sc1ccccc1 ZINC000173808971 527540500 /nfs/dbraw/zinc/54/05/00/527540500.db2.gz PYVBWIGBRJYXEH-UHFFFAOYSA-N -1 1 297.343 2.603 20 0 CFADMM O=C(Nc1nn[n-]n1)c1ccccc1Sc1ccccc1 ZINC000173808971 527540502 /nfs/dbraw/zinc/54/05/02/527540502.db2.gz PYVBWIGBRJYXEH-UHFFFAOYSA-N -1 1 297.343 2.603 20 0 CFADMM O=C([O-])C[C@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000054298198 527635498 /nfs/dbraw/zinc/63/54/98/527635498.db2.gz JNCVPOKEZIZCQW-SNVBAGLBSA-N -1 1 269.291 2.652 20 0 CFADMM CC[C@@H](C)CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000421925338 529325978 /nfs/dbraw/zinc/32/59/78/529325978.db2.gz XMWYLHRADOEPOO-MRVPVSSYSA-N -1 1 271.744 2.830 20 0 CFADMM CCc1cc(=O)[n-]c(SC[C@H]2CCO[C@@H](C)C2)n1 ZINC000447309794 536155096 /nfs/dbraw/zinc/15/50/96/536155096.db2.gz RFSUFDYUFDZTNE-UWVGGRQHSA-N -1 1 268.382 2.652 20 0 CFADMM CC(C)n1ccn(CN2CCCC[C@H]2CC(=O)[O-])c1=S ZINC000736532645 574058800 /nfs/dbraw/zinc/05/88/00/574058800.db2.gz VGOUKSNOAXXXQG-LBPRGKRZSA-N -1 1 297.424 2.887 20 0 CFADMM C[C@H](Sc1nc(-c2ccc3c(c2)CCC3)n[nH]1)C(=O)[O-] ZINC000736716401 574067839 /nfs/dbraw/zinc/06/78/39/574067839.db2.gz LMOVGLKKAPTEDD-QMMMGPOBSA-N -1 1 289.360 2.526 20 0 CFADMM CSC[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000736710522 574067986 /nfs/dbraw/zinc/06/79/86/574067986.db2.gz HPQHIDNHPHGKLT-ZETCQYMHSA-N -1 1 259.758 2.527 20 0 CFADMM C[C@@H]1CCCCCN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000736785335 574074041 /nfs/dbraw/zinc/07/40/41/574074041.db2.gz RVRWGYDUCYCJIF-GFCCVEGCSA-N -1 1 290.363 2.588 20 0 CFADMM CC[C@H]1CCCN1CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736937432 574086810 /nfs/dbraw/zinc/08/68/10/574086810.db2.gz GSKXVUFVYPCARI-ZDUSSCGKSA-N -1 1 290.363 2.506 20 0 CFADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(C(C)C)cc1 ZINC000732215749 574147628 /nfs/dbraw/zinc/14/76/28/574147628.db2.gz MOJPYBPEJBUVDB-UHFFFAOYSA-N -1 1 280.349 2.609 20 0 CFADMM Cc1[nH]c(C(=O)CN2CCC[C@H](C)[C@H]2C)c(C)c1C(=O)[O-] ZINC000738153727 574158646 /nfs/dbraw/zinc/15/86/46/574158646.db2.gz ONQHMOSURFRVJT-JOYOIKCWSA-N -1 1 292.379 2.633 20 0 CFADMM Cc1cc(F)ccc1CNCc1ccc(C(=O)[O-])o1 ZINC000738396815 574167101 /nfs/dbraw/zinc/16/71/01/574167101.db2.gz LMIQKKDPEPIXRE-UHFFFAOYSA-N -1 1 263.268 2.715 20 0 CFADMM c1ccc(C2CC(Nc3cccc(-c4nnn[n-]4)n3)C2)cc1 ZINC000738427419 574168511 /nfs/dbraw/zinc/16/85/11/574168511.db2.gz HUVNLFHBJWLOBY-UHFFFAOYSA-N -1 1 292.346 2.620 20 0 CFADMM c1ccc(C2CC(Nc3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC000738427419 574168512 /nfs/dbraw/zinc/16/85/12/574168512.db2.gz HUVNLFHBJWLOBY-UHFFFAOYSA-N -1 1 292.346 2.620 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1Cc1ccccc1F ZINC000739004285 574193165 /nfs/dbraw/zinc/19/31/65/574193165.db2.gz UVIWGDJNGZCKMZ-RISCZKNCSA-N -1 1 280.343 2.836 20 0 CFADMM CC[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000755864432 574193389 /nfs/dbraw/zinc/19/33/89/574193389.db2.gz URBRVQMTVDXFCJ-SECBINFHSA-N -1 1 253.729 2.918 20 0 CFADMM Cc1ncccc1NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747421817 574195066 /nfs/dbraw/zinc/19/50/66/574195066.db2.gz MRDOLWQXMSTWKG-UHFFFAOYSA-N -1 1 286.335 2.570 20 0 CFADMM C[C@H]1CN(Cc2ccccc2Cl)CC[C@@H]1NC(=O)[O-] ZINC000739194946 574200575 /nfs/dbraw/zinc/20/05/75/574200575.db2.gz WYDDNGLMHVMTOX-GWCFXTLKSA-N -1 1 282.771 2.818 20 0 CFADMM CCN(CC)[C@H](CNC(=O)[O-])c1ccccc1Cl ZINC000739406840 574212519 /nfs/dbraw/zinc/21/25/19/574212519.db2.gz HLPAVBSMMFNCIE-GFCCVEGCSA-N -1 1 270.760 2.991 20 0 CFADMM O=C([O-])[C@@H](NCc1ccc(Cl)nc1)c1ccc(F)cc1 ZINC000739500566 574215892 /nfs/dbraw/zinc/21/58/92/574215892.db2.gz PJIXICXQWCFLGF-ZDUSSCGKSA-N -1 1 294.713 2.790 20 0 CFADMM CN(C(=O)[O-])[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1 ZINC000739585294 574220160 /nfs/dbraw/zinc/22/01/60/574220160.db2.gz PAZKTQPHUOXADZ-OAHLLOKOSA-N -1 1 299.374 2.809 20 0 CFADMM O=C([O-])c1occc1CNC1(c2ccccc2)CC1 ZINC000740280253 574245385 /nfs/dbraw/zinc/24/53/85/574245385.db2.gz AGMKQNUXSNJBND-UHFFFAOYSA-N -1 1 257.289 2.757 20 0 CFADMM CC[C@H](C)c1ccccc1OS(=O)(=O)c1c[n-]nc1C ZINC000730099155 574252189 /nfs/dbraw/zinc/25/21/89/574252189.db2.gz CECQTXRTUXRKHD-JTQLQIEISA-N -1 1 294.376 2.999 20 0 CFADMM CCS[C@@H]1CCC[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000748723616 574263256 /nfs/dbraw/zinc/26/32/56/574263256.db2.gz UAVYXVHYDWUDIV-HTQZYQBOSA-N -1 1 255.305 2.729 20 0 CFADMM O=C([O-])Nc1ccccc1NC(=O)c1cccc2cn[nH]c21 ZINC000740714881 574263983 /nfs/dbraw/zinc/26/39/83/574263983.db2.gz ASSZSJZXLSSYNU-UHFFFAOYSA-N -1 1 296.286 2.905 20 0 CFADMM O=C(NCCc1cccc(O)c1)c1c([O-])cccc1Cl ZINC000749267125 574286846 /nfs/dbraw/zinc/28/68/46/574286846.db2.gz CZTUXVQULHHIIE-UHFFFAOYSA-N -1 1 291.734 2.724 20 0 CFADMM CC(C)(C)OCCOC(=O)c1c([O-])cc(F)cc1F ZINC000749278203 574287416 /nfs/dbraw/zinc/28/74/16/574287416.db2.gz HMADTOGFUYYMJJ-UHFFFAOYSA-N -1 1 274.263 2.642 20 0 CFADMM O=C([N-]Cc1cc2ccccc2o1)C(F)(F)C(F)F ZINC000749350655 574290838 /nfs/dbraw/zinc/29/08/38/574290838.db2.gz WGDBVKCGBUUDSZ-UHFFFAOYSA-N -1 1 275.201 2.949 20 0 CFADMM CCC[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccn1 ZINC000749380219 574292104 /nfs/dbraw/zinc/29/21/04/574292104.db2.gz VBWHIHMZPVXSMB-SECBINFHSA-N -1 1 278.249 2.939 20 0 CFADMM CCC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccn1 ZINC000749380220 574292302 /nfs/dbraw/zinc/29/23/02/574292302.db2.gz VBWHIHMZPVXSMB-VIFPVBQESA-N -1 1 278.249 2.939 20 0 CFADMM O=C1N[C@H](c2cc(F)c([O-])c(F)c2)Nc2cc(F)ccc21 ZINC000749936453 574316640 /nfs/dbraw/zinc/31/66/40/574316640.db2.gz ZFOCHKJAOFKBCX-CYBMUJFWSA-N -1 1 294.232 2.664 20 0 CFADMM C/C(=C\C(=O)Nc1n[n-]c(C(F)(F)F)n1)C(C)(C)C ZINC000742574883 574335037 /nfs/dbraw/zinc/33/50/37/574335037.db2.gz ZZJGSTKVHBBBOH-AATRIKPKSA-N -1 1 276.262 2.754 20 0 CFADMM CC(C)[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000735750706 574335131 /nfs/dbraw/zinc/33/51/31/574335131.db2.gz SKSBKCWIXZXZAG-LBPRGKRZSA-N -1 1 286.383 2.524 20 0 CFADMM CC(C)[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000735750706 574335134 /nfs/dbraw/zinc/33/51/34/574335134.db2.gz SKSBKCWIXZXZAG-LBPRGKRZSA-N -1 1 286.383 2.524 20 0 CFADMM CC(C)CCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000735796424 574336584 /nfs/dbraw/zinc/33/65/84/574336584.db2.gz BUWONPAJMQBARE-UHFFFAOYSA-N -1 1 297.366 2.658 20 0 CFADMM CC(C)CCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000735796424 574336585 /nfs/dbraw/zinc/33/65/85/574336585.db2.gz BUWONPAJMQBARE-UHFFFAOYSA-N -1 1 297.366 2.658 20 0 CFADMM CCCCC[C@@H](C)CC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000742688214 574339661 /nfs/dbraw/zinc/33/96/61/574339661.db2.gz TXOHXFYWHTXLJP-GFCCVEGCSA-N -1 1 293.415 2.692 20 0 CFADMM CC(C)Oc1cccc(CNC(=O)c2ncccc2[O-])c1 ZINC000725887422 574351321 /nfs/dbraw/zinc/35/13/21/574351321.db2.gz KHZZLWUTPJEIJS-UHFFFAOYSA-N -1 1 286.331 2.504 20 0 CFADMM CC(C)CC[C@](C)(O)CNC(=O)c1c([O-])cccc1Cl ZINC000743719219 574371380 /nfs/dbraw/zinc/37/13/80/574371380.db2.gz XUTPSRLVYYQZCI-HNNXBMFYSA-N -1 1 299.798 2.963 20 0 CFADMM C[C@H]1CCN(C(=O)c2c([O-])cccc2Cl)[C@H]1C ZINC000752820723 574395646 /nfs/dbraw/zinc/39/56/46/574395646.db2.gz OQNLXBUVLZKSMH-IUCAKERBSA-N -1 1 253.729 2.916 20 0 CFADMM Clc1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000095144180 599392486 /nfs/dbraw/zinc/39/24/86/599392486.db2.gz KFEVFFZGUAWDGR-UHFFFAOYSA-N -1 1 286.726 2.527 20 0 CFADMM Clc1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000095144180 599392489 /nfs/dbraw/zinc/39/24/89/599392489.db2.gz KFEVFFZGUAWDGR-UHFFFAOYSA-N -1 1 286.726 2.527 20 0 CFADMM Cc1nc(CN2CCC(CN(C)C(=O)[O-])CC2)sc1C ZINC000830746865 603527326 /nfs/dbraw/zinc/52/73/26/603527326.db2.gz UQQIXMLXMOTEKE-UHFFFAOYSA-N -1 1 297.424 2.582 20 0 CFADMM CC[C@@H]1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000095263758 598973489 /nfs/dbraw/zinc/97/34/89/598973489.db2.gz SVHOLLZOMBCMHP-GHMZBOCLSA-N -1 1 272.356 2.642 20 0 CFADMM CC[C@@H]1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000095263758 598973491 /nfs/dbraw/zinc/97/34/91/598973491.db2.gz SVHOLLZOMBCMHP-GHMZBOCLSA-N -1 1 272.356 2.642 20 0 CFADMM O=C([O-])[C@]1(F)CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000833174476 601441282 /nfs/dbraw/zinc/44/12/82/601441282.db2.gz GSKRIAMHFCDLJJ-LBPRGKRZSA-N -1 1 291.244 2.704 20 0 CFADMM CCC(CC)n1ccc(CN2CCC[C@@H](CC(=O)[O-])C2)n1 ZINC000069997012 597352388 /nfs/dbraw/zinc/35/23/88/597352388.db2.gz IIKOWCUMHWPFSZ-ZDUSSCGKSA-N -1 1 293.411 2.931 20 0 CFADMM O=C([O-])[C@H]1CCN(Cc2ncc(-c3ccccc3)s2)C1 ZINC000821510326 597352994 /nfs/dbraw/zinc/35/29/94/597352994.db2.gz AXBPEVUHHIZBIN-LBPRGKRZSA-N -1 1 288.372 2.717 20 0 CFADMM c1cc(-c2nnn[n-]2)oc1CNc1ccc2ncccc2c1 ZINC000823816613 607312154 /nfs/dbraw/zinc/31/21/54/607312154.db2.gz VHXKEWPEBNBGLH-UHFFFAOYSA-N -1 1 292.302 2.620 20 0 CFADMM c1cc(-c2nn[n-]n2)oc1CNc1ccc2ncccc2c1 ZINC000823816613 607312155 /nfs/dbraw/zinc/31/21/55/607312155.db2.gz VHXKEWPEBNBGLH-UHFFFAOYSA-N -1 1 292.302 2.620 20 0 CFADMM CCCCC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900110057 620640541 /nfs/dbraw/zinc/64/05/41/620640541.db2.gz DKSYCAKWMQAHHV-JTQLQIEISA-N -1 1 277.368 2.758 20 0 CFADMM CC[C@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820862965 607326152 /nfs/dbraw/zinc/32/61/52/607326152.db2.gz SEXAPJJPNQHIJL-NTSWFWBYSA-N -1 1 286.792 2.823 20 0 CFADMM CC[C@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820862965 607326153 /nfs/dbraw/zinc/32/61/53/607326153.db2.gz SEXAPJJPNQHIJL-NTSWFWBYSA-N -1 1 286.792 2.823 20 0 CFADMM CC[C@H](C)[C@@H](C)Nc1[nH+]c(C)cc(C)c1-c1nn[nH]n1 ZINC000095274579 607326384 /nfs/dbraw/zinc/32/63/84/607326384.db2.gz KXCYXBADMCCRMV-GZMMTYOYSA-N -1 1 274.372 2.725 20 0 CFADMM CC[C@@H](C)[C@H](C)Nc1[nH+]c(C)cc(C)c1-c1nn[nH]n1 ZINC000095274580 607326388 /nfs/dbraw/zinc/32/63/88/607326388.db2.gz KXCYXBADMCCRMV-KCJUWKMLSA-N -1 1 274.372 2.725 20 0 CFADMM C[C@@H](CC(=O)[O-])N[C@H](c1nccs1)c1ccccc1 ZINC000820071671 598213890 /nfs/dbraw/zinc/21/38/90/598213890.db2.gz DOZZNZZAWMPEMU-GWCFXTLKSA-N -1 1 276.361 2.685 20 0 CFADMM Cc1ccc(C(C)C)cc1Oc1nccnc1-c1nn[n-]n1 ZINC000737316395 598336651 /nfs/dbraw/zinc/33/66/51/598336651.db2.gz AJCJSTMPDJLEEZ-UHFFFAOYSA-N -1 1 296.334 2.881 20 0 CFADMM CO[C@H](C)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000782326133 628628389 /nfs/dbraw/zinc/62/83/89/628628389.db2.gz DKHZKDLISXZYLC-ZCFIWIBFSA-N -1 1 279.119 2.891 20 0 CFADMM C/C(=C\CN(C)[C@H](C)c1ccccc1F)C(=O)[O-] ZINC000214568496 601051491 /nfs/dbraw/zinc/05/14/91/601051491.db2.gz OMVMIFRLVISUCV-RJCSOLBVSA-N -1 1 251.301 2.849 20 0 CFADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900142906 620642376 /nfs/dbraw/zinc/64/23/76/620642376.db2.gz XZGITSDTYCEYHC-PWSUYJOCSA-N -1 1 289.379 2.710 20 0 CFADMM Fc1ccc2c(c1)[C@@H](Nc1cccc(-c3nnn[n-]3)n1)CC2 ZINC000737664150 599432499 /nfs/dbraw/zinc/43/24/99/599432499.db2.gz CCSHXIRNGLMUSG-LBPRGKRZSA-N -1 1 296.309 2.500 20 0 CFADMM Fc1ccc2c(c1)[C@@H](Nc1cccc(-c3nn[n-]n3)n1)CC2 ZINC000737664150 599432500 /nfs/dbraw/zinc/43/25/00/599432500.db2.gz CCSHXIRNGLMUSG-LBPRGKRZSA-N -1 1 296.309 2.500 20 0 CFADMM CCc1cccc(Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000825722493 607894705 /nfs/dbraw/zinc/89/47/05/607894705.db2.gz IGURBVWTQFKQMJ-UHFFFAOYSA-N -1 1 266.308 2.568 20 0 CFADMM CCc1cccc(Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000825722493 607894706 /nfs/dbraw/zinc/89/47/06/607894706.db2.gz IGURBVWTQFKQMJ-UHFFFAOYSA-N -1 1 266.308 2.568 20 0 CFADMM Cc1[nH]ncc1C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000316276256 600492890 /nfs/dbraw/zinc/49/28/90/600492890.db2.gz SWZZKZWSLOHWNI-UHFFFAOYSA-N -1 1 295.298 2.822 20 0 CFADMM C/C(=C\CSc1nc(-c2ccccc2)n[nH]1)C(=O)[O-] ZINC000825792484 600726232 /nfs/dbraw/zinc/72/62/32/600726232.db2.gz FSEBPABSLLSRTG-VQHVLOKHSA-N -1 1 275.333 2.595 20 0 CFADMM CC[C@H](C(=O)Oc1ccc(NC(=O)[O-])cc1)N(CC)CC ZINC000737774826 600893620 /nfs/dbraw/zinc/89/36/20/600893620.db2.gz OVVDVTOIMIHABP-CYBMUJFWSA-N -1 1 294.351 2.802 20 0 CFADMM CC[C@H]1C[C@@H](C)CN1Cn1nc(C(=O)[O-])c(Cl)c1C ZINC000829074369 601054857 /nfs/dbraw/zinc/05/48/57/601054857.db2.gz DDIDSODFWQYSJZ-SCZZXKLOSA-N -1 1 285.775 2.621 20 0 CFADMM C/C(=C/CN[C@@H](c1ccccc1)c1ccccn1)C(=O)[O-] ZINC000825747182 601155208 /nfs/dbraw/zinc/15/52/08/601155208.db2.gz QKOLCEDKDOCAKC-DDKJEQMHSA-N -1 1 282.343 2.792 20 0 CFADMM C/C(=C/CNC1(c2nc(C)cs2)CCCC1)C(=O)[O-] ZINC000825747752 601321409 /nfs/dbraw/zinc/32/14/09/601321409.db2.gz XZWVZZXSQBBXCG-YHYXMXQVSA-N -1 1 280.393 2.841 20 0 CFADMM C[C@@H]1CN(Cc2c(F)cccc2Cl)C[C@@H]1C(=O)[O-] ZINC000104220391 601520474 /nfs/dbraw/zinc/52/04/74/601520474.db2.gz KGDDHFBNMFWIEO-BDAKNGLRSA-N -1 1 271.719 2.632 20 0 CFADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@H]1c1ccccc1 ZINC000900202167 620652085 /nfs/dbraw/zinc/65/20/85/620652085.db2.gz DSQJILVBFFJCLX-AWEZNQCLSA-N -1 1 295.342 2.647 20 0 CFADMM CCCCOCCN(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000829413502 601827983 /nfs/dbraw/zinc/82/79/83/601827983.db2.gz RXWWKWYSUCDKBF-CQSZACIVSA-N -1 1 265.353 2.561 20 0 CFADMM CC[C@H](C)CSCc1ccnc(-c2nnn[n-]2)c1 ZINC000825068051 607550416 /nfs/dbraw/zinc/55/04/16/607550416.db2.gz OVRGWJFIELAUBV-VIFPVBQESA-N -1 1 263.370 2.541 20 0 CFADMM CC[C@H](C)CSCc1ccnc(-c2nn[n-]n2)c1 ZINC000825068051 607550417 /nfs/dbraw/zinc/55/04/17/607550417.db2.gz OVRGWJFIELAUBV-VIFPVBQESA-N -1 1 263.370 2.541 20 0 CFADMM O=C([O-])Nc1ccc(CNCc2ccc(F)c(F)c2)cn1 ZINC000832842251 603542745 /nfs/dbraw/zinc/54/27/45/603542745.db2.gz SFBZPCGOEPKHIC-UHFFFAOYSA-N -1 1 293.273 2.740 20 0 CFADMM Cc1cc(C)cc(N(C)C(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000900294384 620659354 /nfs/dbraw/zinc/65/93/54/620659354.db2.gz GSGCBWXFTMMSGG-UHFFFAOYSA-N -1 1 297.358 2.953 20 0 CFADMM C[C@H](c1ccc(F)cc1)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825629686 603790373 /nfs/dbraw/zinc/79/03/73/603790373.db2.gz GLJSPEVVPKNJOF-ZWNOBZJWSA-N -1 1 266.316 2.571 20 0 CFADMM CC(C)[C@H](C)N(C(=O)c1cnc(C2CC2)[n-]c1=O)C1CC1 ZINC000900361006 620664703 /nfs/dbraw/zinc/66/47/03/620664703.db2.gz WLTWFGKMYZEJDN-JTQLQIEISA-N -1 1 289.379 2.709 20 0 CFADMM CCc1noc(C)c1CN1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000827664559 603902717 /nfs/dbraw/zinc/90/27/17/603902717.db2.gz ZSTFHSDVYYUDHH-YGRLFVJLSA-N -1 1 295.383 2.556 20 0 CFADMM CSCCO[N-]C(=O)[C@H](C)c1ccccc1C ZINC000935758654 649939542 /nfs/dbraw/zinc/93/95/42/649939542.db2.gz ZVGQDUNGVBPNHU-LLVKDONJSA-N -1 1 253.367 2.509 20 0 CFADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccnc(Cl)c2)C1 ZINC000825273365 604164743 /nfs/dbraw/zinc/16/47/43/604164743.db2.gz PHCBGUQSGFWFIJ-CMPLNLGQSA-N -1 1 297.786 2.603 20 0 CFADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cccc(Cl)n2)C1 ZINC000825264540 604204017 /nfs/dbraw/zinc/20/40/17/604204017.db2.gz LJCOGRYXFQYKRS-QWRGUYRKSA-N -1 1 297.786 2.603 20 0 CFADMM CC[C@](C)(CC(=O)[O-])NCc1noc(-c2ccsc2)n1 ZINC000828671196 604374770 /nfs/dbraw/zinc/37/47/70/604374770.db2.gz BEMXMZUUAIJRHT-CYBMUJFWSA-N -1 1 295.364 2.531 20 0 CFADMM Cc1ccc(-c2cnc(CNC(C)(C)CC(=O)[O-])o2)cc1 ZINC000832906891 604443808 /nfs/dbraw/zinc/44/38/08/604443808.db2.gz DLTGYBBKWMXDEQ-UHFFFAOYSA-N -1 1 288.347 2.993 20 0 CFADMM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCOC2(CCCC2)C1 ZINC000833171268 604495240 /nfs/dbraw/zinc/49/52/40/604495240.db2.gz MQVOOXSASXZPNJ-CQSZACIVSA-N -1 1 293.338 2.596 20 0 CFADMM O=C([O-])[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1 ZINC000833172999 604760657 /nfs/dbraw/zinc/76/06/57/604760657.db2.gz YURSBPQRVJRNOY-OAHLLOKOSA-N -1 1 271.291 2.967 20 0 CFADMM CC1=C(C(=O)[O-])C[C@H](CN(C)[C@H](C)c2ccccc2F)O1 ZINC000833578775 604825082 /nfs/dbraw/zinc/82/50/82/604825082.db2.gz WTNJHJDSEOPEBM-ZYHUDNBSSA-N -1 1 293.338 2.966 20 0 CFADMM COc1ccccc1CO[N-]C(=O)C1(C)CC=CC1 ZINC000935811423 649950878 /nfs/dbraw/zinc/95/08/78/649950878.db2.gz DQUPHIVPUMVMQG-UHFFFAOYSA-N -1 1 261.321 2.599 20 0 CFADMM CC(C)COc1ccc([C@H](C)NC2CN(C(=O)[O-])C2)cc1 ZINC000833490824 605003659 /nfs/dbraw/zinc/00/36/59/605003659.db2.gz WVHDHRMBHDFTPD-LBPRGKRZSA-N -1 1 292.379 2.734 20 0 CFADMM C/C(=C/CN[C@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000833385735 605065892 /nfs/dbraw/zinc/06/58/92/605065892.db2.gz XJBAJGDRLNAAIY-JGAIRUGNSA-N -1 1 255.264 2.646 20 0 CFADMM C/C(=C\CN[C@@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000833385738 605066025 /nfs/dbraw/zinc/06/60/25/605066025.db2.gz XJBAJGDRLNAAIY-ORZBULNSSA-N -1 1 255.264 2.646 20 0 CFADMM CCc1cnccc1[C@H](C)NCc1cc(C(=O)[O-])co1 ZINC000833674897 605272958 /nfs/dbraw/zinc/27/29/58/605272958.db2.gz VTQCYIUWGWIXJU-JTQLQIEISA-N -1 1 274.320 2.786 20 0 CFADMM Cc1nc([C@H](C)N[C@H]2CCCCN(C(=O)[O-])C2)cs1 ZINC000830709949 605480886 /nfs/dbraw/zinc/48/08/86/605480886.db2.gz XBWSCMLBBJJPHC-ONGXEEELSA-N -1 1 283.397 2.635 20 0 CFADMM C[C@H]1CCN(Cc2ccccc2C(=O)[O-])C[C@@H]1F ZINC000833616686 605491240 /nfs/dbraw/zinc/49/12/40/605491240.db2.gz ZVMWMDBXIHOVPN-GWCFXTLKSA-N -1 1 251.301 2.565 20 0 CFADMM CCc1nc(CN[C@H](C)C[C@H]2CCCN2C(=O)[O-])cs1 ZINC000827637496 605501982 /nfs/dbraw/zinc/50/19/82/605501982.db2.gz UFQAUKFHFSWQDD-ZYHUDNBSSA-N -1 1 297.424 2.716 20 0 CFADMM Cc1nc([C@H](C)NC[C@@H](NC(=O)[O-])C(C)C)c(C)s1 ZINC000830709488 605504985 /nfs/dbraw/zinc/50/49/85/605504985.db2.gz JZZGEHPLGPQLDO-GZMMTYOYSA-N -1 1 285.413 2.703 20 0 CFADMM O=C([O-])NCCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000834244192 605516513 /nfs/dbraw/zinc/51/65/13/605516513.db2.gz WVQOQDXLWQMXQO-JTQLQIEISA-N -1 1 294.248 2.676 20 0 CFADMM O=C([O-])N[C@@H]1C[C@H](NCc2ccoc2)c2ccccc21 ZINC000834157761 605794373 /nfs/dbraw/zinc/79/43/73/605794373.db2.gz JVRFNNWDXCJVTI-UONOGXRCSA-N -1 1 272.304 2.823 20 0 CFADMM O=C([O-])NC[C@@H]1CCN(Cc2cccc(F)c2Cl)C1 ZINC000834225902 605807632 /nfs/dbraw/zinc/80/76/32/605807632.db2.gz OEXUSRYTVQPPOF-VIFPVBQESA-N -1 1 286.734 2.569 20 0 CFADMM C[C@@H](O)C1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000833527738 605835440 /nfs/dbraw/zinc/83/54/40/605835440.db2.gz LPKZYIWYVAXCOB-SNVBAGLBSA-N -1 1 297.782 2.631 20 0 CFADMM Cc1ccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822241319 606544526 /nfs/dbraw/zinc/54/45/26/606544526.db2.gz RMBYNSBKDVAPSI-UHFFFAOYSA-N -1 1 299.359 2.513 20 0 CFADMM Cc1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822241319 606544528 /nfs/dbraw/zinc/54/45/28/606544528.db2.gz RMBYNSBKDVAPSI-UHFFFAOYSA-N -1 1 299.359 2.513 20 0 CFADMM CC(C)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000820138279 606707151 /nfs/dbraw/zinc/70/71/51/606707151.db2.gz SULDLSIBLCZWAF-UHFFFAOYSA-N -1 1 296.334 2.874 20 0 CFADMM Cc1ccc(CSc2nccnc2-c2nn[n-]n2)cc1C ZINC000822239866 606946807 /nfs/dbraw/zinc/94/68/07/606946807.db2.gz IIODOBWFHNXWBU-UHFFFAOYSA-N -1 1 298.375 2.566 20 0 CFADMM CCN(Cc1ccc(C)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000825435436 607897534 /nfs/dbraw/zinc/89/75/34/607897534.db2.gz XZACAGJSPHEMKW-UHFFFAOYSA-N -1 1 294.362 2.597 20 0 CFADMM CCN(Cc1ccc(C)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000825435436 607897535 /nfs/dbraw/zinc/89/75/35/607897535.db2.gz XZACAGJSPHEMKW-UHFFFAOYSA-N -1 1 294.362 2.597 20 0 CFADMM c1cc2c(c(Oc3cccc(-c4nnn[n-]4)n3)c1)CCCC2 ZINC000826517615 607901086 /nfs/dbraw/zinc/90/10/86/607901086.db2.gz JHYFIHSIDLQEHE-UHFFFAOYSA-N -1 1 293.330 2.933 20 0 CFADMM c1cc2c(c(Oc3cccc(-c4nn[n-]n4)n3)c1)CCCC2 ZINC000826517615 607901087 /nfs/dbraw/zinc/90/10/87/607901087.db2.gz JHYFIHSIDLQEHE-UHFFFAOYSA-N -1 1 293.330 2.933 20 0 CFADMM CCc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1CC ZINC000825716737 608413079 /nfs/dbraw/zinc/41/30/79/608413079.db2.gz AASBYJYNIZPSIC-UHFFFAOYSA-N -1 1 295.350 2.525 20 0 CFADMM CCc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1CC ZINC000825716737 608413080 /nfs/dbraw/zinc/41/30/80/608413080.db2.gz AASBYJYNIZPSIC-UHFFFAOYSA-N -1 1 295.350 2.525 20 0 CFADMM CN(Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000825966312 608865804 /nfs/dbraw/zinc/86/58/04/608865804.db2.gz XLIJLQPFCCWTEV-UHFFFAOYSA-N -1 1 271.349 2.565 20 0 CFADMM C[C@H]1CC(CCn2ccnc2-c2nnn[n-]2)C[C@H](C)C1 ZINC000824874284 608887337 /nfs/dbraw/zinc/88/73/37/608887337.db2.gz BQXGKXYGQUFQFP-GHMZBOCLSA-N -1 1 274.372 2.526 20 0 CFADMM C[C@H]1CC(CCn2ccnc2-c2nn[n-]n2)C[C@H](C)C1 ZINC000824874284 608887339 /nfs/dbraw/zinc/88/73/39/608887339.db2.gz BQXGKXYGQUFQFP-GHMZBOCLSA-N -1 1 274.372 2.526 20 0 CFADMM Cc1ccccc1[C@H](C)C(=O)[N-]OC/C=C/Cl ZINC000936058543 649981288 /nfs/dbraw/zinc/98/12/88/649981288.db2.gz IZPKBJNVVBSFDN-BWNDKRECSA-N -1 1 253.729 2.899 20 0 CFADMM N#Cc1cccc(COC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000063543298 617611836 /nfs/dbraw/zinc/61/18/36/617611836.db2.gz AMMXIZWLJRFWBV-UHFFFAOYSA-N -1 1 289.237 2.899 20 0 CFADMM C[C@H]1CCC[C@H](N(C)c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858343914 617612976 /nfs/dbraw/zinc/61/29/76/617612976.db2.gz GQDNUEXCOTWKQK-IUCAKERBSA-N -1 1 255.749 2.851 20 0 CFADMM O=C(NC[C@@H](O)c1ccco1)c1ccc2ccccc2c1[O-] ZINC000121463239 617647958 /nfs/dbraw/zinc/64/79/58/617647958.db2.gz ZJGACTCHAWRSAQ-CQSZACIVSA-N -1 1 297.310 2.602 20 0 CFADMM CC[C@@H]1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000901010251 620741354 /nfs/dbraw/zinc/74/13/54/620741354.db2.gz QACHIRFDMIAXRC-SNVBAGLBSA-N -1 1 288.322 2.952 20 0 CFADMM C[C@@]1(C2CC2)COCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000890581653 617672951 /nfs/dbraw/zinc/67/29/51/617672951.db2.gz NKOOYXWIIBRKEM-HNNXBMFYSA-N -1 1 295.766 2.687 20 0 CFADMM Cc1ncc(C[N@H+](C)Cc2ccc(O)c(F)c2)s1 ZINC000891735188 617732798 /nfs/dbraw/zinc/73/27/98/617732798.db2.gz FFLRNKIZALFNTC-UHFFFAOYSA-N -1 1 266.341 2.928 20 0 CFADMM CC(C)c1cnc(CN2CC[C@](C)(C(=O)[O-])C2)s1 ZINC000859810536 617746214 /nfs/dbraw/zinc/74/62/14/617746214.db2.gz QQTLYCOKZHAHAY-ZDUSSCGKSA-N -1 1 268.382 2.563 20 0 CFADMM COc1csc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000080098289 617789325 /nfs/dbraw/zinc/78/93/25/617789325.db2.gz PZRDQSLNTVNOBV-UHFFFAOYSA-N -1 1 267.281 2.854 20 0 CFADMM COCc1nc(N[C@@H]2CCc3c2cccc3C)cc(=O)[n-]1 ZINC000892338915 618160885 /nfs/dbraw/zinc/16/08/85/618160885.db2.gz DBEYGFDKQZIRMK-CYBMUJFWSA-N -1 1 285.347 2.736 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(F)ccc1F ZINC000188344509 618300948 /nfs/dbraw/zinc/30/09/48/618300948.db2.gz ZIFJORSVRAFKJI-UHFFFAOYSA-N -1 1 284.649 2.971 20 0 CFADMM COCc1nc(N2CCC[C@@]2(C)c2ccccc2)cc(=O)[n-]1 ZINC000895146155 618382947 /nfs/dbraw/zinc/38/29/47/618382947.db2.gz CKFOCRAWIYJSQW-KRWDZBQOSA-N -1 1 299.374 2.844 20 0 CFADMM Cc1oc(CNCc2cccc(C)c2)cc1C(=O)[O-] ZINC000235894723 618458493 /nfs/dbraw/zinc/45/84/93/618458493.db2.gz UFFJAOJKSQDXBG-UHFFFAOYSA-N -1 1 259.305 2.884 20 0 CFADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)COc1ccccc1 ZINC000794849589 618461392 /nfs/dbraw/zinc/46/13/92/618461392.db2.gz BHGVTTMFNLJQCN-OLZOCXBDSA-N -1 1 265.353 2.795 20 0 CFADMM CC[C@@H](C)CO[N-]C(=O)[C@H](C)COc1ccccc1 ZINC000794849588 618461633 /nfs/dbraw/zinc/46/16/33/618461633.db2.gz BHGVTTMFNLJQCN-CHWSQXEVSA-N -1 1 265.353 2.795 20 0 CFADMM COC(=O)c1c[n-]c(SCc2ccc(C#N)cc2C)n1 ZINC000193546834 618463160 /nfs/dbraw/zinc/46/31/60/618463160.db2.gz FVQPRAMBOYTWMD-UHFFFAOYSA-N -1 1 287.344 2.669 20 0 CFADMM CN(CCc1nccs1)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000901437154 620820173 /nfs/dbraw/zinc/82/01/73/620820173.db2.gz OEOLIFANSVXTKR-SNAWJCMRSA-N -1 1 292.360 2.508 20 0 CFADMM CCS[C@@H]1CCCC[C@@H]1Nc1cc(=O)[n-]c(COC)n1 ZINC000892847513 618756346 /nfs/dbraw/zinc/75/63/46/618756346.db2.gz OKFFBVXBCXSVML-WDEREUQCSA-N -1 1 297.424 2.805 20 0 CFADMM COCc1nc(N2CC[C@@H](c3ccccc3)[C@@H]2C)cc(=O)[n-]1 ZINC000892860348 618758489 /nfs/dbraw/zinc/75/84/89/618758489.db2.gz OHBRYHLEHMVGIX-GXTWGEPZSA-N -1 1 299.374 2.711 20 0 CFADMM Cc1ccc(CC(=O)[N-]OCc2ccc(F)cc2)s1 ZINC000184192263 618912566 /nfs/dbraw/zinc/91/25/66/618912566.db2.gz YURUPWJCPYIRQZ-UHFFFAOYSA-N -1 1 279.336 2.986 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1csc([N+](=O)[O-])c1 ZINC000194575534 618937792 /nfs/dbraw/zinc/93/77/92/618937792.db2.gz ZHOMHPAMSLKHBK-UHFFFAOYSA-N -1 1 299.695 2.663 20 0 CFADMM CC(=CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000195182251 618947612 /nfs/dbraw/zinc/94/76/12/618947612.db2.gz HVWGSKJGCDYQEY-BQYQJAHWSA-N -1 1 296.252 2.866 20 0 CFADMM O=C(CC(F)(F)C(F)F)Nc1ccc([O-])c(F)c1F ZINC000909371960 619017888 /nfs/dbraw/zinc/01/78/88/619017888.db2.gz LEUGGLCARRWDBA-UHFFFAOYSA-N -1 1 287.159 2.899 20 0 CFADMM Cc1ccccc1[C@@H](C)NCc1ccc(C(=O)[O-])cn1 ZINC000094760396 619167778 /nfs/dbraw/zinc/16/77/78/619167778.db2.gz XZWMBVCWJBINHV-GFCCVEGCSA-N -1 1 270.332 2.939 20 0 CFADMM CCc1nc(C)c(CNCc2cccc(C(=O)[O-])c2)o1 ZINC000261863522 619298187 /nfs/dbraw/zinc/29/81/87/619298187.db2.gz YDBSKOWDLYQKNY-UHFFFAOYSA-N -1 1 274.320 2.533 20 0 CFADMM C[C@@H](C(=O)OCc1cc(=O)oc2cc([O-])ccc12)C1CC1 ZINC000748148238 619347810 /nfs/dbraw/zinc/34/78/10/619347810.db2.gz FGNYIPBWHKMDLH-SECBINFHSA-N -1 1 288.299 2.588 20 0 CFADMM CCOc1cc(C(=O)[N-]c2nn(C(C)C)cc2Cl)on1 ZINC000894876624 619493861 /nfs/dbraw/zinc/49/38/61/619493861.db2.gz LDSSCLWIBUHKEQ-UHFFFAOYSA-N -1 1 298.730 2.756 20 0 CFADMM COc1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000049084858 619514495 /nfs/dbraw/zinc/51/44/95/619514495.db2.gz DPEQCQPMPYVKIH-UHFFFAOYSA-N -1 1 291.734 2.984 20 0 CFADMM C[C@@H](CC(=O)[N-]OCc1ccccn1)c1ccccc1 ZINC000909522468 619542371 /nfs/dbraw/zinc/54/23/71/619542371.db2.gz WXMDSOUYPLXCRF-ZDUSSCGKSA-N -1 1 270.332 2.823 20 0 CFADMM FC(F)c1nnc([N-][C@@H](c2ccccn2)C2CC2)o1 ZINC000895795118 619610185 /nfs/dbraw/zinc/61/01/85/619610185.db2.gz BRFZZQTZEWJUSC-SECBINFHSA-N -1 1 266.251 2.965 20 0 CFADMM O=C(C[C@H]1CCC2(CCC2)O1)Nc1c([O-])cccc1F ZINC000896403733 619730403 /nfs/dbraw/zinc/73/04/03/619730403.db2.gz VYQVEPIPLBAAED-SNVBAGLBSA-N -1 1 279.311 2.962 20 0 CFADMM N#CC(=C([O-])c1cccc(Cl)n1)c1ccccn1 ZINC000182710762 625370992 /nfs/dbraw/zinc/37/09/92/625370992.db2.gz JIDRIYMQIQXJBB-VIFPVBQESA-N -1 1 257.680 2.620 20 0 CFADMM CC1(C)C[C@@H](CNc2cc(Cl)[n-]c(=O)n2)C(C)(C)O1 ZINC000896517126 619755169 /nfs/dbraw/zinc/75/51/69/619755169.db2.gz JULXRQCFJYDHGZ-QMMMGPOBSA-N -1 1 285.775 2.841 20 0 CFADMM O=C(C[C@@H]1CCc2ccccc21)[N-]OCc1ccccn1 ZINC000909536402 619833109 /nfs/dbraw/zinc/83/31/09/619833109.db2.gz MRDGZGRIIMYQQL-AWEZNQCLSA-N -1 1 282.343 2.750 20 0 CFADMM O=C(Nc1nc(Br)ccc1[O-])C1(C2CC2)CC1 ZINC000897107946 619934538 /nfs/dbraw/zinc/93/45/38/619934538.db2.gz CGWGRTJACIGACY-UHFFFAOYSA-N -1 1 297.152 2.678 20 0 CFADMM CC[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(C)=O ZINC000871672458 620046959 /nfs/dbraw/zinc/04/69/59/620046959.db2.gz XITHQUDITMGBDJ-SSDOTTSWSA-N -1 1 262.281 2.580 20 0 CFADMM CN(CCC(=O)[O-])Cc1cc(C(F)(F)F)ccc1F ZINC000263406824 620141150 /nfs/dbraw/zinc/14/11/50/620141150.db2.gz KDQAZPRUWLKEOK-UHFFFAOYSA-N -1 1 279.233 2.751 20 0 CFADMM COc1cnccc1[C@@H](C)NCc1cccc(C(=O)[O-])c1 ZINC000263437877 620144094 /nfs/dbraw/zinc/14/40/94/620144094.db2.gz VFHYPALIKVMEEJ-LLVKDONJSA-N -1 1 286.331 2.639 20 0 CFADMM COc1cc(C(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)cc(Cl)c1[O-] ZINC000889588614 620169997 /nfs/dbraw/zinc/16/99/97/620169997.db2.gz ZYKRAALPDKOCRK-PTOFAABTSA-N -1 1 295.766 2.973 20 0 CFADMM CCc1cc(=O)[n-]c(SCCOc2ccc(C)cc2)n1 ZINC000041625989 620447285 /nfs/dbraw/zinc/44/72/85/620447285.db2.gz MEXDOXIESROXBR-UHFFFAOYSA-N -1 1 290.388 2.812 20 0 CFADMM Cc1[n-]n(-c2nc3cc(F)c(F)cc3[nH]2)c(=O)c1C(C)C ZINC000899347588 620547798 /nfs/dbraw/zinc/54/77/98/620547798.db2.gz ZJUJMSBZWWQAAS-LBPRGKRZSA-N -1 1 292.289 2.836 20 0 CFADMM Cc1[n-]n(-c2nc(-c3ccccc3)no2)c(=O)c1C(C)C ZINC000899350014 620550140 /nfs/dbraw/zinc/55/01/40/620550140.db2.gz RDKFQHIHIFDTSR-GFCCVEGCSA-N -1 1 284.319 2.731 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3c(F)cc(F)cc3F)c(=O)c21 ZINC000899363155 620550572 /nfs/dbraw/zinc/55/05/72/620550572.db2.gz FUHJNEPDPSRGJQ-KBUNVGBDSA-N -1 1 268.238 2.853 20 0 CFADMM CCc1[n-]n(-c2c(F)cc(F)cc2F)c(=O)c1F ZINC000899362098 620553044 /nfs/dbraw/zinc/55/30/44/620553044.db2.gz KBDGBADIROZHSI-SECBINFHSA-N -1 1 260.190 2.555 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3cc(F)ccc3F)c(=O)c21 ZINC000899362415 620553306 /nfs/dbraw/zinc/55/33/06/620553306.db2.gz SPELBHRRFYINAL-KRTXAFLBSA-N -1 1 250.248 2.714 20 0 CFADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCCc2ccccc21 ZINC000899905416 620611607 /nfs/dbraw/zinc/61/16/07/620611607.db2.gz YVIZQUDGHPHSIK-UHFFFAOYSA-N -1 1 295.342 2.653 20 0 CFADMM CCOc1ccc(CNCc2ccccc2CC(=O)[O-])o1 ZINC000900026322 620625773 /nfs/dbraw/zinc/62/57/73/620625773.db2.gz HHDODQBOTKNTAA-UHFFFAOYSA-N -1 1 289.331 2.595 20 0 CFADMM CO[C@@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC[C@H]1C ZINC000901460033 620829730 /nfs/dbraw/zinc/82/97/30/620829730.db2.gz PVGSVYNURQZDDV-QMTHXVAHSA-N -1 1 297.782 2.895 20 0 CFADMM C[C@@H]1CN(Cc2cccc(C(=O)[O-])n2)C[C@H](C)C1(F)F ZINC000901539037 620850246 /nfs/dbraw/zinc/85/02/46/620850246.db2.gz ROEZFJHDDDEXDS-AOOOYVTPSA-N -1 1 284.306 2.503 20 0 CFADMM COC[C@H](C)Sc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901620019 620870460 /nfs/dbraw/zinc/87/04/60/620870460.db2.gz XICKMUQEYGGCOD-JTQLQIEISA-N -1 1 276.361 2.976 20 0 CFADMM Cc1ncc(CN[C@H](CCC(=O)[O-])c2ccccc2)o1 ZINC000901648094 620881276 /nfs/dbraw/zinc/88/12/76/620881276.db2.gz PTEUVCDGZANBPJ-CQSZACIVSA-N -1 1 274.320 2.679 20 0 CFADMM O=S(=O)(CCC1CC1)[N-]c1ccccc1-c1ncco1 ZINC000901676882 620882631 /nfs/dbraw/zinc/88/26/31/620882631.db2.gz FUTYYBLEMPKHET-UHFFFAOYSA-N -1 1 292.360 2.883 20 0 CFADMM O=C([O-])CC1(NCc2csc(C3CC3)n2)CCC1 ZINC000901706565 620903170 /nfs/dbraw/zinc/90/31/70/620903170.db2.gz IEBUSICFZKSADN-UHFFFAOYSA-N -1 1 266.366 2.508 20 0 CFADMM CCc1ccc(CN[C@H](C(=O)[O-])[C@H]2CCC[C@H](OC)C2)o1 ZINC000901763635 620915741 /nfs/dbraw/zinc/91/57/41/620915741.db2.gz PHUYKUFTLRIGLF-WHOFXGATSA-N -1 1 295.379 2.590 20 0 CFADMM C[C@H](NC[C@H]1CC1(Cl)Cl)c1ncc(C(=O)[O-])s1 ZINC000901907697 620937929 /nfs/dbraw/zinc/93/79/29/620937929.db2.gz JBRBKKMZGVCFDV-NTSWFWBYSA-N -1 1 295.191 2.686 20 0 CFADMM CO[C@@H](CN[C@H](C)c1ncc(C(=O)[O-])s1)CC(C)C ZINC000901907944 620937944 /nfs/dbraw/zinc/93/79/44/620937944.db2.gz LMZKRSAIFRASIY-NXEZZACHSA-N -1 1 286.397 2.553 20 0 CFADMM O=C([O-])c1ccc(F)c2c1CN(C[C@H]1CCC=CO1)CC2 ZINC000901925096 620943325 /nfs/dbraw/zinc/94/33/25/620943325.db2.gz WBYRLLWUCSKXNW-LLVKDONJSA-N -1 1 291.322 2.575 20 0 CFADMM C[C@H]1CCN(Cc2cc3cccnc3o2)[C@@H](C(=O)[O-])C1 ZINC000902011823 620957481 /nfs/dbraw/zinc/95/74/81/620957481.db2.gz MTUUNFSPCGCMBC-GXFFZTMASA-N -1 1 274.320 2.513 20 0 CFADMM CC(C)c1cnc(CN2CCC[C@H]2CC(=O)[O-])s1 ZINC000902011615 620957705 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621025563 /nfs/dbraw/zinc/02/55/63/621025563.db2.gz UJTUHVQUXYOYPZ-UHFFFAOYSA-N -1 1 275.304 2.585 20 0 CFADMM CC1(NCc2ccc(/C=C\C(=O)[O-])o2)CC(F)(F)C1 ZINC000902446330 621080089 /nfs/dbraw/zinc/08/00/89/621080089.db2.gz SWFYUJOXNJVSCW-PLNGDYQASA-N -1 1 271.263 2.655 20 0 CFADMM CC[C@H]1Cc2ccccc2CN1Cc1cc(C(=O)[O-])no1 ZINC000902532400 621119352 /nfs/dbraw/zinc/11/93/52/621119352.db2.gz NIOVNQPGZYNKOC-ZDUSSCGKSA-N -1 1 286.331 2.710 20 0 CFADMM CCN(Cc1c(F)ccc(C)c1F)[C@H](C)C(=O)[O-] ZINC000903408157 621363145 /nfs/dbraw/zinc/36/31/45/621363145.db2.gz FLDFTTNWKLNMKR-SECBINFHSA-N -1 1 257.280 2.568 20 0 CFADMM CC(C)Cc1ccccc1CN1CCOC[C@H]1CC(=O)[O-] ZINC000903600074 621399023 /nfs/dbraw/zinc/39/90/23/621399023.db2.gz AXAQRTCVZWGMDJ-MRXNPFEDSA-N -1 1 291.391 2.561 20 0 CFADMM CCN(CCC(=O)[O-])Cc1c(F)ccc(C)c1F ZINC000903596200 621404430 /nfs/dbraw/zinc/40/44/30/621404430.db2.gz OBULNMNSLVRNLI-UHFFFAOYSA-N -1 1 257.280 2.570 20 0 CFADMM C[C@@H]1COCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000903633061 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Cc1cc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)cnc1Cl ZINC000843041073 626546078 /nfs/dbraw/zinc/54/60/78/626546078.db2.gz NHPFCIBEVIQYOG-JOYOIKCWSA-N -1 1 282.771 2.586 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1nc(Cl)ccc1F ZINC000759701456 626685449 /nfs/dbraw/zinc/68/54/49/626685449.db2.gz LQFDCYKWZBYORA-UHFFFAOYSA-N -1 1 284.649 2.971 20 0 CFADMM O=C([N-]c1cnoc1)c1c(Cl)nccc1C(F)(F)F ZINC000759707169 626685607 /nfs/dbraw/zinc/68/56/07/626685607.db2.gz RJVHZZRXFAGXKL-UHFFFAOYSA-N -1 1 291.616 2.994 20 0 CFADMM Cc1cccnc1/C=C/C(=O)Nc1c([O-])cccc1F ZINC000760018987 626709877 /nfs/dbraw/zinc/70/98/77/626709877.db2.gz KNZUSPCXEWAMJM-BQYQJAHWSA-N -1 1 272.279 2.887 20 0 CFADMM CCC(C)(C)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000760557712 626755524 /nfs/dbraw/zinc/75/55/24/626755524.db2.gz ZTRQRFNJLAYWHG-UHFFFAOYSA-N -1 1 279.384 2.780 20 0 CFADMM CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000851834254 634551240 /nfs/dbraw/zinc/55/12/40/634551240.db2.gz OUOQJPOCJQRHBO-AWEZNQCLSA-N -1 1 279.361 2.900 20 0 CFADMM O=C(C[C@H]1CCc2ccccc2C1)[N-]OCC(F)(F)F ZINC000766759304 627219149 /nfs/dbraw/zinc/21/91/49/627219149.db2.gz SSRSIXIEOZXPPM-JTQLQIEISA-N -1 1 287.281 2.792 20 0 CFADMM Cc1ccc(CCCC(=O)[N-]OCC(F)(F)F)s1 ZINC000766768245 627219868 /nfs/dbraw/zinc/21/98/68/627219868.db2.gz NAVBVBWHEMZDBY-UHFFFAOYSA-N -1 1 281.299 2.989 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CCOC2(CCCC2)C1 ZINC000768266019 627329578 /nfs/dbraw/zinc/32/95/78/627329578.db2.gz ZNUPVTBLJXJFDZ-UHFFFAOYSA-N -1 1 295.766 2.831 20 0 CFADMM COc1cccc([N-]S(=O)(=O)c2cc(C)oc2C)c1F ZINC000769888134 627485673 /nfs/dbraw/zinc/48/56/73/627485673.db2.gz BDUXSMSWVSFWCE-UHFFFAOYSA-N -1 1 299.323 2.845 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@H]2COCC[C@H]21 ZINC000769977968 627493880 /nfs/dbraw/zinc/49/38/80/627493880.db2.gz HQTXERMIBKFHHL-ZYHUDNBSSA-N -1 1 295.766 2.687 20 0 CFADMM O=C(CCn1cnc2ccccc21)[N-]Oc1ccccc1 ZINC000773468492 627824200 /nfs/dbraw/zinc/82/42/00/627824200.db2.gz QTXZDTPTQSMGGM-UHFFFAOYSA-N -1 1 281.315 2.537 20 0 CFADMM CC(C)c1noc([C@H](C)OC(=O)c2ccc([O-])cc2F)n1 ZINC000773569273 627837760 /nfs/dbraw/zinc/83/77/60/627837760.db2.gz LNARCRULIPOFGE-QMMMGPOBSA-N -1 1 294.282 2.956 20 0 CFADMM CCc1noc(C)c1COC(=O)c1ccc([O-])cc1F ZINC000773566755 627838112 /nfs/dbraw/zinc/83/81/12/627838112.db2.gz DVEIUVXCOTYPDG-UHFFFAOYSA-N -1 1 279.267 2.747 20 0 CFADMM Cc1cnc([C@@H](C)OC(=O)c2ccc([O-])cc2F)o1 ZINC000773565439 627838444 /nfs/dbraw/zinc/83/84/44/627838444.db2.gz IHQIYUALGGIDAU-MRVPVSSYSA-N -1 1 265.240 2.746 20 0 CFADMM Cc1nc(COC(=O)c2ccc([O-])cc2F)cs1 ZINC000773564462 627838449 /nfs/dbraw/zinc/83/84/49/627838449.db2.gz FDJCEUZDLSGAJC-UHFFFAOYSA-N -1 1 267.281 2.653 20 0 CFADMM O=C(OCc1cccc(Cl)n1)c1ccc([O-])cc1F ZINC000773575371 627839245 /nfs/dbraw/zinc/83/92/45/627839245.db2.gz IHKORSOIAIKFPY-UHFFFAOYSA-N -1 1 281.670 2.937 20 0 CFADMM O=C(CCC1CCCC1)OCCC[N-]C(=O)C(F)(F)F ZINC000774885036 627976710 /nfs/dbraw/zinc/97/67/10/627976710.db2.gz XSDCDPZQOQVQCP-UHFFFAOYSA-N -1 1 295.301 2.569 20 0 CFADMM Cc1ccc(/C=C\S(=O)(=O)[N-]c2cccc(F)n2)cc1 ZINC000775202706 627999818 /nfs/dbraw/zinc/99/98/18/627999818.db2.gz VJOGGMXZSDHBTN-KTKRTIGZSA-N -1 1 292.335 2.942 20 0 CFADMM CO[C@H]1CCC[C@@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000775593960 628044516 /nfs/dbraw/zinc/04/45/16/628044516.db2.gz TYKKNYNHWMDXMF-SKDRFNHKSA-N -1 1 283.755 2.591 20 0 CFADMM O=c1cc(CN2CCC[C@H]2C(F)F)c2ccc([O-])cc2o1 ZINC000777712919 628247861 /nfs/dbraw/zinc/24/78/61/628247861.db2.gz LVYSZLMOWSCQNA-LBPRGKRZSA-N -1 1 295.285 2.728 20 0 CFADMM C[C@@H](COc1ccccc1)C(=O)[N-]OCCC(F)(F)F ZINC000777973897 628269709 /nfs/dbraw/zinc/26/97/09/628269709.db2.gz TUDOASZNBTVFIV-JTQLQIEISA-N -1 1 291.269 2.702 20 0 CFADMM C[C@H](OC(=O)c1cn[n-]n1)c1ccc2ccccc2c1 ZINC000805603855 628293622 /nfs/dbraw/zinc/29/36/22/628293622.db2.gz WNYATSANZOCQGN-JTQLQIEISA-N -1 1 267.288 2.876 20 0 CFADMM O=C(OCCc1cc(Cl)cc(Cl)c1)c1cn[n-]n1 ZINC000805605584 628298131 /nfs/dbraw/zinc/29/81/31/628298131.db2.gz OIQSFTYIWDTLHZ-UHFFFAOYSA-N -1 1 286.118 2.511 20 0 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CCc1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1 ZINC001239588840 779645210 /nfs/dbraw/zinc/64/52/10/779645210.db2.gz YCXOTEKOOSAUOK-UHFFFAOYSA-N -1 1 262.245 2.719 20 0 CFADMM COC(=O)c1nc2ccc(-c3cc(C)ccc3OC)nc2[n-]1 ZINC001239770231 779760320 /nfs/dbraw/zinc/76/03/20/779760320.db2.gz ZKNULEZWDUPAHD-UHFFFAOYSA-N -1 1 297.314 2.680 20 0 CFADMM Cc1nocc1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC001125105060 779765498 /nfs/dbraw/zinc/76/54/98/779765498.db2.gz QSYUPHOUAWAPDP-UHFFFAOYSA-N -1 1 286.316 2.754 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3cncc(F)c3)cc2[n-]1 ZINC001240237019 780019184 /nfs/dbraw/zinc/01/91/84/780019184.db2.gz PMHYVTHVDQYHRO-UHFFFAOYSA-N -1 1 285.278 2.941 20 0 CFADMM CCOC(=O)c1nc2cc(-c3cncc(F)c3)ccc2[n-]1 ZINC001240237019 780019193 /nfs/dbraw/zinc/01/91/93/780019193.db2.gz PMHYVTHVDQYHRO-UHFFFAOYSA-N -1 1 285.278 2.941 20 0 CFADMM C[C@H](CCc1ccccc1)NC(=O)c1ccncc1[O-] ZINC000094592425 780053562 /nfs/dbraw/zinc/05/35/62/780053562.db2.gz UDJDWALCIOLQCV-GFCCVEGCSA-N -1 1 270.332 2.538 20 0 CFADMM CCOc1ccccc1-c1noc(-c2cc(C(C)=O)[n-]n2)n1 ZINC001212430009 780175376 /nfs/dbraw/zinc/17/53/76/780175376.db2.gz VBASKPYMRAOBAJ-UHFFFAOYSA-N -1 1 298.302 2.728 20 0 CFADMM CCOc1ccccc1-c1noc(-c2cc(C(C)=O)n[n-]2)n1 ZINC001212430009 780175380 /nfs/dbraw/zinc/17/53/80/780175380.db2.gz VBASKPYMRAOBAJ-UHFFFAOYSA-N -1 1 298.302 2.728 20 0 CFADMM COc1ccc2ncnc(-c3cc(F)ccc3[O-])c2n1 ZINC001240694528 780363930 /nfs/dbraw/zinc/36/39/30/780363930.db2.gz WUNMQMUTKUHTJG-UHFFFAOYSA-N -1 1 271.251 2.545 20 0 CFADMM COC(=O)c1cnc(-c2cc(F)ccc2[O-])c(F)c1 ZINC001240693549 780364401 /nfs/dbraw/zinc/36/44/01/780364401.db2.gz UWAWKWOSEDHISH-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM COC(=O)c1cc2ccncc2nc1-c1cc(F)ccc1[O-] ZINC001240694272 780364587 /nfs/dbraw/zinc/36/45/87/780364587.db2.gz UJKNBDXDXKQKBW-UHFFFAOYSA-N -1 1 298.273 2.928 20 0 CFADMM O=C(c1ccnc(-c2cc(F)ccc2[O-])c1)N1CCCC1 ZINC001240694053 780365518 /nfs/dbraw/zinc/36/55/18/780365518.db2.gz NQZFKTMNKJSUBS-UHFFFAOYSA-N -1 1 286.306 2.829 20 0 CFADMM COC(=O)c1nc2cc(-c3cc(F)ccc3O)ccc2[n-]1 ZINC001240696755 780367333 /nfs/dbraw/zinc/36/73/33/780367333.db2.gz OMEGMHDLYPKTSU-UHFFFAOYSA-N -1 1 286.262 2.861 20 0 CFADMM COC(=O)c1nc2ccc(-c3cc(F)ccc3O)cc2[n-]1 ZINC001240696755 780367343 /nfs/dbraw/zinc/36/73/43/780367343.db2.gz OMEGMHDLYPKTSU-UHFFFAOYSA-N -1 1 286.262 2.861 20 0 CFADMM [O-]c1ccc(F)cc1-c1ccc(OCC(F)(F)F)nn1 ZINC001240696006 780367550 /nfs/dbraw/zinc/36/75/50/780367550.db2.gz WAIDWHYUEAHWMW-UHFFFAOYSA-N -1 1 288.200 2.929 20 0 CFADMM CC(C)(C)OC(=O)c1cnc(-c2cc(F)ccc2[O-])cn1 ZINC001240696571 780368657 /nfs/dbraw/zinc/36/86/57/780368657.db2.gz SCVFJRZXNDGFTA-UHFFFAOYSA-N -1 1 290.294 2.944 20 0 CFADMM CN(C)c1ccccc1-c1noc(-c2ncccc2[O-])n1 ZINC001212480768 780395387 /nfs/dbraw/zinc/39/53/87/780395387.db2.gz HOYXRWXBNKGNAQ-UHFFFAOYSA-N -1 1 282.303 2.570 20 0 CFADMM Cc1ccc(F)c(-c2noc(-c3ncccc3[O-])n2)c1 ZINC001212480770 780395487 /nfs/dbraw/zinc/39/54/87/780395487.db2.gz HRDXRUKUHZAUMW-UHFFFAOYSA-N -1 1 271.251 2.952 20 0 CFADMM [O-]c1cccnc1-c1nc(-c2ccc(F)c(F)c2F)no1 ZINC001212480778 780395942 /nfs/dbraw/zinc/39/59/42/780395942.db2.gz IGDWNGSSNHFTIC-UHFFFAOYSA-N -1 1 293.204 2.922 20 0 CFADMM CCOc1ccc(-c2noc(-c3ncccc3[O-])n2)cc1 ZINC001212480692 780396051 /nfs/dbraw/zinc/39/60/51/780396051.db2.gz CQXCQQIOTZQNRY-UHFFFAOYSA-N -1 1 283.287 2.903 20 0 CFADMM COc1cc(C(=O)[O-])ccc1-c1cncc2cc[nH]c21 ZINC001240734741 780402248 /nfs/dbraw/zinc/40/22/48/780402248.db2.gz GCTIKHLREFMYEA-UHFFFAOYSA-N -1 1 268.272 2.937 20 0 CFADMM CCN(C)c1nc(-c2ccc([O-])c(F)c2)ncc1C ZINC001240783029 780436193 /nfs/dbraw/zinc/43/61/93/780436193.db2.gz IAWBEWZNRGAJNY-UHFFFAOYSA-N -1 1 261.300 2.753 20 0 CFADMM O=C(OCC1CC1)c1cnc(-c2ccc([O-])c(F)c2)cn1 ZINC001240786167 780440803 /nfs/dbraw/zinc/44/08/03/780440803.db2.gz OWUCRODJVGJIBG-UHFFFAOYSA-N -1 1 288.278 2.555 20 0 CFADMM CC(C)S(=O)(=O)c1ccc(-c2ccc([O-])c(F)c2)nc1 ZINC001240788077 780444046 /nfs/dbraw/zinc/44/40/46/780444046.db2.gz YUQGITQXVFQEMK-UHFFFAOYSA-N -1 1 295.335 2.775 20 0 CFADMM COC(=O)c1nc2ccc(-c3cc(F)ccc3C)[nH]c-2n1 ZINC001240922178 780522097 /nfs/dbraw/zinc/52/20/97/780522097.db2.gz HMEMABPFWJTCKN-UHFFFAOYSA-N -1 1 285.278 2.859 20 0 CFADMM COC(=O)c1nc2cc(-c3cccc(O)c3)ccc2[n-]1 ZINC001240923900 780523490 /nfs/dbraw/zinc/52/34/90/780523490.db2.gz FFBNBEVNBONXKH-UHFFFAOYSA-N -1 1 268.272 2.722 20 0 CFADMM COC(=O)c1nc2ccc(-c3cccc(O)c3)cc2[n-]1 ZINC001240923900 780523493 /nfs/dbraw/zinc/52/34/93/780523493.db2.gz FFBNBEVNBONXKH-UHFFFAOYSA-N -1 1 268.272 2.722 20 0 CFADMM COC(=O)c1cc(F)cnc1-c1c(F)cc([O-])cc1F ZINC001241117443 780646686 /nfs/dbraw/zinc/64/66/86/780646686.db2.gz OOFHQGGRDZWAEL-UHFFFAOYSA-N -1 1 283.205 2.658 20 0 CFADMM COC(=O)c1cc(-c2c(F)cc([O-])cc2F)cnc1C ZINC001241120660 780648469 /nfs/dbraw/zinc/64/84/69/780648469.db2.gz FHYBUSMMZZWLDD-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM [O-]c1cc(F)c(-c2ccc3c(n2)CCOC3)c(F)c1 ZINC001241120444 780648555 /nfs/dbraw/zinc/64/85/55/780648555.db2.gz VBASWNCYXNBQKB-UHFFFAOYSA-N -1 1 263.243 2.805 20 0 CFADMM CN1C(=O)Cc2ccc(-c3c(F)cc([O-])cc3F)cc21 ZINC001241121183 780649726 /nfs/dbraw/zinc/64/97/26/780649726.db2.gz DDBYIRHWEPRHIJ-UHFFFAOYSA-N -1 1 275.254 2.856 20 0 CFADMM Cn1c(=O)cnc2ccc(-c3c(F)cc([O-])cc3F)cc21 ZINC001241120807 780649923 /nfs/dbraw/zinc/64/99/23/780649923.db2.gz MEAHTLIMPIBVIC-UHFFFAOYSA-N -1 1 288.253 2.584 20 0 CFADMM NC(=O)c1ccc(-c2c(F)cc([O-])cc2F)c2cc[nH]c21 ZINC001241123056 780652378 /nfs/dbraw/zinc/65/23/78/780652378.db2.gz SHNWDLNMBBSBFO-UHFFFAOYSA-N -1 1 288.253 2.918 20 0 CFADMM [O-]c1cc(F)c(-c2ccc(-c3nn[nH]n3)c(F)c2)c(F)c1 ZINC001241122577 780652551 /nfs/dbraw/zinc/65/25/51/780652551.db2.gz GQYJKRNNHDIHDT-UHFFFAOYSA-N -1 1 292.220 2.657 20 0 CFADMM [O-]c1cc(F)c(-c2cc(-c3nn[nH]n3)ccc2F)c(F)c1 ZINC001241123224 780652634 /nfs/dbraw/zinc/65/26/34/780652634.db2.gz WHKBHHRZRXNDFP-UHFFFAOYSA-N -1 1 292.220 2.657 20 0 CFADMM O=c1c(-c2c(F)cc([O-])cc2F)ccnn1C1CCC1 ZINC001241125514 780653364 /nfs/dbraw/zinc/65/33/64/780653364.db2.gz ZMUAFYQYTKPOAM-UHFFFAOYSA-N -1 1 278.258 2.619 20 0 CFADMM CCOc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC001241197777 780699614 /nfs/dbraw/zinc/69/96/14/780699614.db2.gz WYDCUVUPTVCGED-UHFFFAOYSA-N -1 1 281.319 2.636 20 0 CFADMM CCOc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC001241197777 780699618 /nfs/dbraw/zinc/69/96/18/780699618.db2.gz WYDCUVUPTVCGED-UHFFFAOYSA-N -1 1 281.319 2.636 20 0 CFADMM COc1cnc(-c2cc([O-])cc(F)c2)nc1NC(C)C ZINC001241258070 780739720 /nfs/dbraw/zinc/73/97/20/780739720.db2.gz SXHLMACPVUIGNH-UHFFFAOYSA-N -1 1 277.299 2.817 20 0 CFADMM [O-]c1cc(F)cc(-c2nccc(N3CCCCC3)n2)c1 ZINC001241262536 780742085 /nfs/dbraw/zinc/74/20/85/780742085.db2.gz NRGZAYXUDPHYSQ-UHFFFAOYSA-N -1 1 273.311 2.979 20 0 CFADMM CCN(CC)c1cncc(-c2c(F)ccc([O-])c2F)n1 ZINC001241288950 780758024 /nfs/dbraw/zinc/75/80/24/780758024.db2.gz COMJXCKCEGVALK-UHFFFAOYSA-N -1 1 279.290 2.974 20 0 CFADMM [O-]c1ccc(F)c(-c2ccc3c(n2)CCOC3)c1F ZINC001241289803 780759196 /nfs/dbraw/zinc/75/91/96/780759196.db2.gz ZXQZBKFFPBDACE-UHFFFAOYSA-N -1 1 263.243 2.805 20 0 CFADMM CSc1nccc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290339 780759670 /nfs/dbraw/zinc/75/96/70/780759670.db2.gz KJVUSJAZFKDTQL-UHFFFAOYSA-N -1 1 254.261 2.849 20 0 CFADMM Cc1c[nH]c2nc(-c3c(F)ccc([O-])c3F)ncc12 ZINC001241290786 780759989 /nfs/dbraw/zinc/75/99/89/780759989.db2.gz DSMJPFJTIXUGLH-UHFFFAOYSA-N -1 1 261.231 2.869 20 0 CFADMM [O-]c1ccc(F)c(-c2cc(OCC3CC3)ncn2)c1F ZINC001241289241 780760214 /nfs/dbraw/zinc/76/02/14/780760214.db2.gz OAPOKXBSGANASU-UHFFFAOYSA-N -1 1 278.258 2.916 20 0 CFADMM COC(=O)c1cc(C)nc(-c2c(F)ccc([O-])c2F)c1 ZINC001241291377 780761083 /nfs/dbraw/zinc/76/10/83/780761083.db2.gz YGKFOVOYLMSFMU-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM Cc1nc(C)c(F)c(-c2c(F)ccc([O-])c2F)n1 ZINC001241291761 780761170 /nfs/dbraw/zinc/76/11/70/780761170.db2.gz WEUFOTYXPCFMAP-UHFFFAOYSA-N -1 1 254.211 2.883 20 0 CFADMM O=C1Cc2cc(-c3cc(Cl)ccc3F)ccc2C(=O)[N-]1 ZINC001241333709 780788365 /nfs/dbraw/zinc/78/83/65/780788365.db2.gz TYQSWXGCYTYGFL-UHFFFAOYSA-N -1 1 289.693 2.959 20 0 CFADMM O=C([O-])c1ccc(-c2ccc3[nH]nnc3c2)cc1Cl ZINC001241350524 780802166 /nfs/dbraw/zinc/80/21/66/780802166.db2.gz XPNAGVAGKBSBKK-UHFFFAOYSA-N -1 1 273.679 2.977 20 0 CFADMM O=C([O-])c1ccc(-c2ccc3nn[nH]c3c2)cc1Cl ZINC001241350524 780802177 /nfs/dbraw/zinc/80/21/77/780802177.db2.gz XPNAGVAGKBSBKK-UHFFFAOYSA-N -1 1 273.679 2.977 20 0 CFADMM COc1cc2[nH]cnc2cc1-c1cccc(C(=O)[O-])c1 ZINC001241359637 780810572 /nfs/dbraw/zinc/81/05/72/780810572.db2.gz WZCAEWSWYTYUEI-UHFFFAOYSA-N -1 1 268.272 2.937 20 0 CFADMM Cc1ccc(CN(C)Cc2ccoc2)cc1C(=O)[O-] ZINC000701840685 780849022 /nfs/dbraw/zinc/84/90/22/780849022.db2.gz TWKCPZVVWGQWHQ-UHFFFAOYSA-N -1 1 259.305 2.918 20 0 CFADMM CC(=O)c1ccc(F)c(-c2noc(-c3ccc([O-])cn3)n2)c1 ZINC001212557976 781055125 /nfs/dbraw/zinc/05/51/25/781055125.db2.gz LHOMWRYRERFHEG-UHFFFAOYSA-N -1 1 299.261 2.846 20 0 CFADMM [O-]c1ccc(C(F)(F)F)cc1-c1ncnc2c1COCC2 ZINC001242132079 781295350 /nfs/dbraw/zinc/29/53/50/781295350.db2.gz UQPIFHAGSNRKBN-UHFFFAOYSA-N -1 1 296.248 2.941 20 0 CFADMM COC(=O)c1ccnc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151184 781303398 /nfs/dbraw/zinc/30/33/98/781303398.db2.gz HATPNRFLNGJGDP-UHFFFAOYSA-N -1 1 298.220 2.655 20 0 CFADMM Cc1ccnc(-c2ccc([O-])c(C(F)(F)F)c2)c1C(N)=O ZINC001242151282 781303411 /nfs/dbraw/zinc/30/34/11/781303411.db2.gz JAEKWBXYXVPCIL-UHFFFAOYSA-N -1 1 296.248 2.880 20 0 CFADMM Cn1cccc(-c2ccc([O-])c(C(F)(F)F)c2)c1=O ZINC001242161771 781309825 /nfs/dbraw/zinc/30/98/25/781309825.db2.gz CJYZPOHFBJVUOI-UHFFFAOYSA-N -1 1 269.222 2.777 20 0 CFADMM CS(=O)(=O)Nc1ccc(F)c(-c2ccc(F)cc2[O-])c1 ZINC001242218575 781333586 /nfs/dbraw/zinc/33/35/86/781333586.db2.gz FWJVKVSATRJAFL-UHFFFAOYSA-N -1 1 299.298 2.709 20 0 CFADMM Cc1cccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1F ZINC001242239499 781340836 /nfs/dbraw/zinc/34/08/36/781340836.db2.gz ZYPLCFXIBQJBGR-UHFFFAOYSA-N -1 1 269.275 2.614 20 0 CFADMM O=C([O-])Cc1cccc(-c2cccn3cncc23)c1 ZINC001242265420 781350423 /nfs/dbraw/zinc/35/04/23/781350423.db2.gz WCRGUFKBWPWSTE-UHFFFAOYSA-N -1 1 252.273 2.628 20 0 CFADMM Cc1c(F)cc(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc1F ZINC001242288676 781369892 /nfs/dbraw/zinc/36/98/92/781369892.db2.gz OZDTXDHPOLHAIO-UHFFFAOYSA-N -1 1 287.265 2.753 20 0 CFADMM Cc1c(F)c(F)ccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001242306889 781383782 /nfs/dbraw/zinc/38/37/82/781383782.db2.gz OIKZIHMZOACMME-UHFFFAOYSA-N -1 1 273.246 2.515 20 0 CFADMM Cc1c(F)c(F)ccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001242306889 781383790 /nfs/dbraw/zinc/38/37/90/781383790.db2.gz OIKZIHMZOACMME-UHFFFAOYSA-N -1 1 273.246 2.515 20 0 CFADMM Cc1c(F)c(F)ccc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001242307816 781385116 /nfs/dbraw/zinc/38/51/16/781385116.db2.gz HXDKOPXABZBKCK-UHFFFAOYSA-N -1 1 287.265 2.753 20 0 CFADMM Cc1cc(-c2ccc(C(=O)[O-])nc2)cc2nc[nH]c21 ZINC001242335984 781406018 /nfs/dbraw/zinc/40/60/18/781406018.db2.gz SYQYCDNSBNYKDP-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM CCOC(=O)c1cc(C)nc(-c2cccc(C)c2[O-])n1 ZINC001242343864 781416262 /nfs/dbraw/zinc/41/62/62/781416262.db2.gz FKEVFKZDNBRYEP-UHFFFAOYSA-N -1 1 272.304 2.643 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](CF)C1 ZINC000711467798 781436072 /nfs/dbraw/zinc/43/60/72/781436072.db2.gz GPCHLAZGOJVOBR-SECBINFHSA-N -1 1 271.719 2.867 20 0 CFADMM O=C1NCc2c1cccc2-c1cccc(Cl)c1[O-] ZINC001242364094 781437869 /nfs/dbraw/zinc/43/78/69/781437869.db2.gz BJVBGVXZKYHBCH-UHFFFAOYSA-N -1 1 259.692 2.956 20 0 CFADMM Cc1cc(S(C)(=O)=O)ncc1-c1cccc(Cl)c1[O-] ZINC001242367276 781439032 /nfs/dbraw/zinc/43/90/32/781439032.db2.gz IMEPMSGXLGDSBO-UHFFFAOYSA-N -1 1 297.763 2.820 20 0 CFADMM O=C1Cc2cc(-c3cccc([O-])c3Cl)ncc2N1 ZINC001242799019 781763977 /nfs/dbraw/zinc/76/39/77/781763977.db2.gz QLPUINQLVAKJED-UHFFFAOYSA-N -1 1 260.680 2.602 20 0 CFADMM CCOc1cncc(-c2cccc([O-])c2Cl)n1 ZINC001242799064 781764068 /nfs/dbraw/zinc/76/40/68/781764068.db2.gz RNVGTCVHXGROIN-UHFFFAOYSA-N -1 1 250.685 2.901 20 0 CFADMM CCOC(=O)Cc1ncc(-c2cccc([O-])c2Cl)cn1 ZINC001242799852 781765177 /nfs/dbraw/zinc/76/51/77/781765177.db2.gz GEJCHVFTRDJWFU-UHFFFAOYSA-N -1 1 292.722 2.608 20 0 CFADMM CCOC(=O)c1ccnc(-c2cccc([O-])c2Cl)n1 ZINC001242801399 781767197 /nfs/dbraw/zinc/76/71/97/781767197.db2.gz RQVYIQMYCAWHFV-UHFFFAOYSA-N -1 1 278.695 2.679 20 0 CFADMM COc1ccc(-c2nc(CCCOC(C)C)no2)c([O-])c1 ZINC000273825244 192323268 /nfs/dbraw/zinc/32/32/68/192323268.db2.gz IJJNJDPAOJLSOP-UHFFFAOYSA-N -1 1 292.335 2.808 20 0 CFADMM O=S(=O)([N-]c1ccncc1)c1ccc(F)c(Cl)c1 ZINC000068038822 346832636 /nfs/dbraw/zinc/83/26/36/346832636.db2.gz ZVBMCRXGOCVCMQ-UHFFFAOYSA-N -1 1 286.715 2.675 20 0 CFADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)C=C(C)C)CC1 ZINC000068454088 346853601 /nfs/dbraw/zinc/85/36/01/346853601.db2.gz AGSWPIRXSACMOL-UHFFFAOYSA-N -1 1 294.424 2.633 20 0 CFADMM CCc1cc(=O)[n-]c(SCC(=O)CCC2CCCC2)n1 ZINC000195060638 529506571 /nfs/dbraw/zinc/50/65/71/529506571.db2.gz CKEOYTAPQWCUHQ-UHFFFAOYSA-N -1 1 294.420 2.964 20 0 CFADMM O=c1cc(C(F)(F)F)nc(SC[C@H]2CCCCO2)[n-]1 ZINC000126990826 187274439 /nfs/dbraw/zinc/27/44/39/187274439.db2.gz MMLXSXBCFHHSBU-SSDOTTSWSA-N -1 1 294.298 2.862 20 0 CFADMM CN(CCOc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000176957432 529927045 /nfs/dbraw/zinc/92/70/45/529927045.db2.gz KKYVKSITQILSGR-UHFFFAOYSA-N -1 1 289.306 2.682 20 0 CFADMM CN(Cc1cc2ccccc2o1)C(=O)c1cncc([O-])c1 ZINC000175457941 529980896 /nfs/dbraw/zinc/98/08/96/529980896.db2.gz DBFWAHFRTFINKD-UHFFFAOYSA-N -1 1 282.299 2.806 20 0 CFADMM O=C(NCc1ccc2ccccc2c1)c1cncc([O-])c1 ZINC000111560594 232192852 /nfs/dbraw/zinc/19/28/52/232192852.db2.gz JEQNQACFHSSROC-UHFFFAOYSA-N -1 1 278.311 2.870 20 0 CFADMM O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1[O-] ZINC000156240340 232232856 /nfs/dbraw/zinc/23/28/56/232232856.db2.gz XLCARROOLFWLSO-AWEZNQCLSA-N -1 1 299.326 2.812 20 0 CFADMM C[C@]1(CNC(=O)c2cc(F)ccc2[O-])CCCS1 ZINC000163129069 232257667 /nfs/dbraw/zinc/25/76/67/232257667.db2.gz GYUQUFWQJHWQTA-CYBMUJFWSA-N -1 1 269.341 2.547 20 0 CFADMM CN(C(=O)c1ccc2ccccc2c1[O-])c1cnn(C)c1 ZINC000173200729 232273571 /nfs/dbraw/zinc/27/35/71/232273571.db2.gz ZTBRMFSDANYTHY-UHFFFAOYSA-N -1 1 281.315 2.556 20 0 CFADMM CCCCc1noc(CSc2nc(C)c(C)c(=O)[n-]2)n1 ZINC000022611019 346249798 /nfs/dbraw/zinc/24/97/98/346249798.db2.gz ZHCXRSLZWBVZLY-UHFFFAOYSA-N -1 1 294.380 2.817 20 0 CFADMM CCCc1nnc([N-]C(=O)c2ccc(Cl)o2)s1 ZINC000026837778 346266829 /nfs/dbraw/zinc/26/68/29/346266829.db2.gz FHKRRQBYEODDEA-UHFFFAOYSA-N -1 1 271.729 2.989 20 0 CFADMM CCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000033871309 346313117 /nfs/dbraw/zinc/31/31/17/346313117.db2.gz XULHYASSMBKERN-ZETCQYMHSA-N -1 1 281.299 2.571 20 0 CFADMM O=C(Nc1ccc(-n2cccn2)c(F)c1)c1ccccc1[O-] ZINC000047677921 346456884 /nfs/dbraw/zinc/45/68/84/346456884.db2.gz JSRPCGGTGFWSCG-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM CCC[C@H](C)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000075810565 347100956 /nfs/dbraw/zinc/10/09/56/347100956.db2.gz IRTHWZDHLOVFEE-JTQLQIEISA-N -1 1 273.336 2.596 20 0 CFADMM CC[C@@H](C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315973 346586517 /nfs/dbraw/zinc/58/65/17/346586517.db2.gz MJBJXURKACTLOE-GFCCVEGCSA-N -1 1 289.375 2.860 20 0 CFADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])c1ccccc1 ZINC000067177959 346793703 /nfs/dbraw/zinc/79/37/03/346793703.db2.gz IKBIXAWWGZCDGW-LBPRGKRZSA-N -1 1 270.332 2.663 20 0 CFADMM CN(Cc1cccc(O)c1)C(=O)c1cc(F)ccc1[O-] ZINC000080003620 347335948 /nfs/dbraw/zinc/33/59/48/347335948.db2.gz WPPXDMOEPCEADA-UHFFFAOYSA-N -1 1 275.279 2.509 20 0 CFADMM O=S(=O)([N-]Cc1ccsc1)c1cc2ccccc2o1 ZINC000084936646 347477244 /nfs/dbraw/zinc/47/72/44/347477244.db2.gz RHAQYRXPSXZLMC-UHFFFAOYSA-N -1 1 293.369 2.973 20 0 CFADMM O=C([O-])C[C@@H]1CSCCN1Cc1ccc(Cl)cc1 ZINC000091130715 347571923 /nfs/dbraw/zinc/57/19/23/347571923.db2.gz HQBNFDYTIDDRCC-GFCCVEGCSA-N -1 1 285.796 2.732 20 0 CFADMM C[C@]1(CO)CCC[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000092602339 347633886 /nfs/dbraw/zinc/63/38/86/347633886.db2.gz CZVQLWYWYVNUMY-MAUKXSAKSA-N -1 1 299.370 2.826 20 0 CFADMM CN(C(=O)c1ccc(Cl)cc1[O-])C1CCC(CO)CC1 ZINC000092600759 347633899 /nfs/dbraw/zinc/63/38/99/347633899.db2.gz LEDMYBRDXDOPBV-UHFFFAOYSA-N -1 1 297.782 2.669 20 0 CFADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1c(F)cccc1Cl ZINC000092924044 347651515 /nfs/dbraw/zinc/65/15/15/347651515.db2.gz VMXZYSAEOFQOJK-BDAKNGLRSA-N -1 1 271.719 2.774 20 0 CFADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1cc(-c2cccs2)on1 ZINC000092925587 347651811 /nfs/dbraw/zinc/65/18/11/347651811.db2.gz KLBJSDLLIVWJPG-KOLCDFICSA-N -1 1 292.360 2.698 20 0 CFADMM COc1c(Cl)cccc1[N-]S(=O)(=O)CCC1CC1 ZINC000092265912 347615185 /nfs/dbraw/zinc/61/51/85/347615185.db2.gz BMBVDKMSONGQNO-UHFFFAOYSA-N -1 1 289.784 2.890 20 0 CFADMM Cc1nc(SCC(=O)c2ccc(F)cc2)[n-]c(=O)c1C ZINC000100896857 347714148 /nfs/dbraw/zinc/71/41/48/347714148.db2.gz GGAVVPRYXCTKNS-UHFFFAOYSA-N -1 1 292.335 2.913 20 0 CFADMM CC[C@@H](NC(=O)c1cncc([O-])c1)C1CCCCC1 ZINC000111740025 347756365 /nfs/dbraw/zinc/75/63/65/347756365.db2.gz OGWQWYHSMWSUGA-CQSZACIVSA-N -1 1 262.353 2.876 20 0 CFADMM CC(C)(C)c1cc(NC(=O)c2ccccc2[O-])n[nH]1 ZINC000134495780 347898939 /nfs/dbraw/zinc/89/89/39/347898939.db2.gz GXUCZCLPWZJMNL-UHFFFAOYSA-N -1 1 259.309 2.665 20 0 CFADMM C[C@@H]1C[C@@H](C)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000128653967 187382618 /nfs/dbraw/zinc/38/26/18/187382618.db2.gz QLUMLNQFVKLBBO-VHSXEESVSA-N -1 1 251.301 2.792 20 0 CFADMM O=C([O-])c1ccc2c(c1)n[nH]c2-c1nc2cc(F)ccc2[nH]1 ZINC000147951419 347949483 /nfs/dbraw/zinc/94/94/83/347949483.db2.gz DKZNLQAISAKMEK-UHFFFAOYSA-N -1 1 296.261 2.944 20 0 CFADMM Cc1cc(=O)n(-c2ccc(OC(F)(F)F)cc2)[n-]1 ZINC000166738696 348043435 /nfs/dbraw/zinc/04/34/35/348043435.db2.gz KBQQPNJEMABROH-UHFFFAOYSA-N -1 1 258.199 2.698 20 0 CFADMM O=C([O-])c1cccc(CN2CCC(F)(F)CC2)c1 ZINC000212672327 348160005 /nfs/dbraw/zinc/16/00/05/348160005.db2.gz DHTOZLOYDWJTAY-UHFFFAOYSA-N -1 1 255.264 2.616 20 0 CFADMM O=C(Nc1ncccc1O)c1ccc2ccccc2c1[O-] ZINC000230540368 348206670 /nfs/dbraw/zinc/20/66/70/348206670.db2.gz LDGDVJPLRRYKGO-UHFFFAOYSA-N -1 1 280.283 2.898 20 0 CFADMM CC(C)(C)[C@H]1C[C@@H](NC(=O)c2cc(F)ccc2[O-])CCO1 ZINC000270940268 190876156 /nfs/dbraw/zinc/87/61/56/190876156.db2.gz NITKONPPXLMDKU-SMDDNHRTSA-N -1 1 295.354 2.855 20 0 CFADMM CCC[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)c1nn[n-]n1 ZINC000675144118 539652332 /nfs/dbraw/zinc/65/23/32/539652332.db2.gz HIXZHDFKTITAFN-GHMZBOCLSA-N -1 1 281.404 2.620 20 0 CFADMM Cc1ncc(CNC(=O)c2cc3ccccc3cc2[O-])o1 ZINC000398140552 348567132 /nfs/dbraw/zinc/56/71/32/348567132.db2.gz OBAKCQZTTFENRA-UHFFFAOYSA-N -1 1 282.299 2.772 20 0 CFADMM O=C(N[C@@H]1C=CCCC1)c1c(F)ccc([O-])c1F ZINC000584687876 348705316 /nfs/dbraw/zinc/70/53/16/348705316.db2.gz RWHZSIWDXDCMCV-MRVPVSSYSA-N -1 1 253.248 2.509 20 0 CFADMM CC(C)(CNC(=O)c1cc(F)ccc1[O-])c1ccncc1 ZINC000091840446 539668281 /nfs/dbraw/zinc/66/82/81/539668281.db2.gz QKJWEUITJATIGC-UHFFFAOYSA-N -1 1 288.322 2.634 20 0 CFADMM O=S(=O)([N-]c1ccc(Cl)c2cccnc12)C1CC1 ZINC000589428624 348831764 /nfs/dbraw/zinc/83/17/64/348831764.db2.gz HVYHJGLWFREKAI-UHFFFAOYSA-N -1 1 282.752 2.792 20 0 CFADMM C[C@H](CNC(=O)c1ccc(Br)c([O-])c1)C1CC1 ZINC000231328846 539671529 /nfs/dbraw/zinc/67/15/29/539671529.db2.gz OVBJKYDDEZUFEO-MRVPVSSYSA-N -1 1 298.180 2.931 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(C)sc2C)n1 ZINC000590356174 348896240 /nfs/dbraw/zinc/89/62/40/348896240.db2.gz YXNVKMBUDWXUOV-UHFFFAOYSA-N -1 1 293.348 2.517 20 0 CFADMM COC(=O)[C@H](NCc1cccc([O-])c1Cl)C(C)(C)C ZINC000590360319 348896404 /nfs/dbraw/zinc/89/64/04/348896404.db2.gz JRKMTKFZBMLDLS-LBPRGKRZSA-N -1 1 285.771 2.723 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CCSCc1ccccc1 ZINC000590398418 348899187 /nfs/dbraw/zinc/89/91/87/348899187.db2.gz OGNWNMGWIVBDQK-UHFFFAOYSA-N -1 1 291.376 2.686 20 0 CFADMM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cocn1 ZINC000591205021 349000622 /nfs/dbraw/zinc/00/06/22/349000622.db2.gz VYQQELFZWWPRHS-UHFFFAOYSA-N -1 1 292.364 2.901 20 0 CFADMM O=C([O-])c1sccc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000226977107 539703636 /nfs/dbraw/zinc/70/36/36/539703636.db2.gz OPQYMMUCYAOOIM-NEPJUHHUSA-N -1 1 281.377 2.590 20 0 CFADMM CC(C)[C@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000271363189 191097529 /nfs/dbraw/zinc/09/75/29/191097529.db2.gz FRQYDVYYLFCVKL-BXUZGUMPSA-N -1 1 297.782 2.979 20 0 CFADMM CC(C)[C@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000271363205 191097597 /nfs/dbraw/zinc/09/75/97/191097597.db2.gz FRQYDVYYLFCVKL-SMDDNHRTSA-N -1 1 297.782 2.979 20 0 CFADMM CCN(Cc1ccccc1C)C(=O)c1cncc([O-])c1 ZINC000109042202 186241752 /nfs/dbraw/zinc/24/17/52/186241752.db2.gz AUWBILQAEIEJEX-UHFFFAOYSA-N -1 1 270.332 2.758 20 0 CFADMM O=C(NC[C@H]1CC12CC2)c1cc(Cl)ccc1[O-] ZINC000416061997 233530440 /nfs/dbraw/zinc/53/04/40/233530440.db2.gz NSNKRQRSYYBYCB-MRVPVSSYSA-N -1 1 251.713 2.576 20 0 CFADMM O=C(COc1ccc(F)c(Cl)c1)Nc1ccncc1[O-] ZINC000109890470 186277523 /nfs/dbraw/zinc/27/75/23/186277523.db2.gz OOVDEOMKSBFGSE-UHFFFAOYSA-N -1 1 296.685 2.597 20 0 CFADMM Cc1cnn(-c2ccc(C(=O)Nc3ccncc3[O-])cc2)c1 ZINC000109891143 186278815 /nfs/dbraw/zinc/27/88/15/186278815.db2.gz LSIZHPQUBFNMAC-UHFFFAOYSA-N -1 1 294.314 2.534 20 0 CFADMM CCc1[n-]n(-c2ccccc2C(=O)OC)c(=O)c1C(C)C ZINC000601951096 350816736 /nfs/dbraw/zinc/81/67/36/350816736.db2.gz ZEGSFWGYIVAZML-CQSZACIVSA-N -1 1 288.347 2.858 20 0 CFADMM CCCc1c(C)[n-]n(-c2ccccc2C(=O)OC)c1=O ZINC000601950564 350816747 /nfs/dbraw/zinc/81/67/47/350816747.db2.gz VXNOMSYXHHBWMZ-NSHDSACASA-N -1 1 274.320 2.612 20 0 CFADMM CCCc1c(C)[n-]n(-c2ccc(CC(=O)OC)cc2)c1=O ZINC000601955483 350817722 /nfs/dbraw/zinc/81/77/22/350817722.db2.gz IAFPUZAIEZQIFW-CQSZACIVSA-N -1 1 288.347 2.541 20 0 CFADMM CSCCc1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000111598944 186430981 /nfs/dbraw/zinc/43/09/81/186430981.db2.gz ATFTYHCATOGSRV-UHFFFAOYSA-N -1 1 288.372 2.945 20 0 CFADMM COC(=O)c1cccc(NC(=O)c2ccccc2[O-])c1C ZINC000603478253 351167067 /nfs/dbraw/zinc/16/70/67/351167067.db2.gz VZQJNFXTRBFWCH-UHFFFAOYSA-N -1 1 285.299 2.740 20 0 CFADMM COc1ccccc1OCC(=O)Nc1c([O-])cccc1F ZINC000605435447 351245729 /nfs/dbraw/zinc/24/57/29/351245729.db2.gz HMQCRFVJVVEDAN-UHFFFAOYSA-N -1 1 291.278 2.557 20 0 CFADMM Cc1cc(C)n([C@H](C)CC(=O)Nc2c([O-])cccc2F)n1 ZINC000608365202 351425852 /nfs/dbraw/zinc/42/58/52/351425852.db2.gz BLVYFKVDTMVTJZ-LLVKDONJSA-N -1 1 291.326 2.934 20 0 CFADMM C[C@H]1C[C@@H](CNC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000271436893 191136798 /nfs/dbraw/zinc/13/67/98/191136798.db2.gz GOYBYLHRKWABNG-UWVGGRQHSA-N -1 1 283.755 2.591 20 0 CFADMM CC[C@H]1c2ccccc2CCN1C(=O)c1cncc([O-])c1 ZINC000133841156 539818608 /nfs/dbraw/zinc/81/86/08/539818608.db2.gz UVFANTXGRQVHEB-INIZCTEOSA-N -1 1 282.343 2.937 20 0 CFADMM CC(C)(C)n1cnc(C(=O)[N-]c2c(F)cc(F)cc2F)n1 ZINC000291468919 198030220 /nfs/dbraw/zinc/03/02/20/198030220.db2.gz KGLKOODXCUARIC-UHFFFAOYSA-N -1 1 298.268 2.703 20 0 CFADMM CCC[C@@H](CC)NC(=O)c1c(F)ccc([O-])c1F ZINC000291486190 198033965 /nfs/dbraw/zinc/03/39/65/198033965.db2.gz LCRVACYLNLONQO-MRVPVSSYSA-N -1 1 257.280 2.979 20 0 CFADMM CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000613512321 351973531 /nfs/dbraw/zinc/97/35/31/351973531.db2.gz QWNQGYFZKPKHNB-DGCLKSJQSA-N -1 1 283.368 2.935 20 0 CFADMM O=C(NCCSCC(F)(F)F)c1ccc([O-])c(F)c1 ZINC000613523971 351975476 /nfs/dbraw/zinc/97/54/76/351975476.db2.gz FQAVGFPVXWAWSH-UHFFFAOYSA-N -1 1 297.273 2.557 20 0 CFADMM CCc1c(C)[n-]n(Cc2cccc3cccnc32)c1=O ZINC000614190591 352059461 /nfs/dbraw/zinc/05/94/61/352059461.db2.gz YROORSPDQQVQGW-AWEZNQCLSA-N -1 1 267.332 2.979 20 0 CFADMM O=C(NCC1(C(F)F)CC1)c1ncc2ccccc2c1[O-] ZINC000614235024 352067067 /nfs/dbraw/zinc/06/70/67/352067067.db2.gz NJKWXHOGIYTDQB-UHFFFAOYSA-N -1 1 292.285 2.716 20 0 CFADMM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000615219086 352168233 /nfs/dbraw/zinc/16/82/33/352168233.db2.gz PJTNRHHQNULMFF-ZJUUUORDSA-N -1 1 251.330 2.579 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](OC(C)C)c1ccccc1 ZINC000615218652 352168298 /nfs/dbraw/zinc/16/82/98/352168298.db2.gz NEEILEXQEVUMBG-CYBMUJFWSA-N -1 1 289.335 2.529 20 0 CFADMM CC[C@H](Cc1ccccc1C)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000615226620 352169766 /nfs/dbraw/zinc/16/97/66/352169766.db2.gz ASSJAUAOVHOXJI-GFCCVEGCSA-N -1 1 287.363 2.940 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000615226936 352169970 /nfs/dbraw/zinc/16/99/70/352169970.db2.gz NCIBLEZNUWVTHT-QMMMGPOBSA-N -1 1 277.299 2.695 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CCCc2sccc21 ZINC000615222558 352170060 /nfs/dbraw/zinc/17/00/60/352170060.db2.gz SOOYPYRULSYPJZ-VIFPVBQESA-N -1 1 277.349 2.544 20 0 CFADMM O=C(c1ncc2ccccc2c1[O-])N1CC[C@H]1C(F)(F)F ZINC000615026972 352143103 /nfs/dbraw/zinc/14/31/03/352143103.db2.gz JLXXDIRRFLFXQJ-JTQLQIEISA-N -1 1 296.248 2.717 20 0 CFADMM C[C@]1(C(F)F)CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000668826859 539835071 /nfs/dbraw/zinc/83/50/71/539835071.db2.gz MOGUXYLEXHNUTA-CYBMUJFWSA-N -1 1 291.725 2.902 20 0 CFADMM CC[C@@H](C)[C@H](C)C(=O)N=c1[nH][n-]c(C)c1Br ZINC000616009652 352273491 /nfs/dbraw/zinc/27/34/91/352273491.db2.gz YHDAWFKLVYUHNO-RQJHMYQMSA-N -1 1 288.189 2.523 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)c1onc2c1CCCC2 ZINC000616099548 352283910 /nfs/dbraw/zinc/28/39/10/352283910.db2.gz CDHZFGHMYFXBCY-UHFFFAOYSA-N -1 1 294.257 2.790 20 0 CFADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000616333346 352328955 /nfs/dbraw/zinc/32/89/55/352328955.db2.gz YWKIYLOAHQOTKV-MYJAWHEDSA-N -1 1 273.361 2.545 20 0 CFADMM C[C@H]1COC2(CCC2)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000617950665 352680776 /nfs/dbraw/zinc/68/07/76/352680776.db2.gz IYIWGCFOMHDZND-JTQLQIEISA-N -1 1 295.766 2.829 20 0 CFADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H](C)C1O ZINC000618263162 352741879 /nfs/dbraw/zinc/74/18/79/352741879.db2.gz CCETXRXBTFIZDJ-RYUDHWBXSA-N -1 1 299.370 2.634 20 0 CFADMM C[C@H]1CCC[C@H](CNC(=O)c2cc(Cl)ccc2[O-])O1 ZINC000618569589 352812821 /nfs/dbraw/zinc/81/28/21/352812821.db2.gz QZJBBOLRUVNSBY-GXSJLCMTSA-N -1 1 283.755 2.733 20 0 CFADMM C[C@@]1(CNC(=O)c2ccc(Cl)cc2[O-])CC1(F)F ZINC000618603618 352832822 /nfs/dbraw/zinc/83/28/22/352832822.db2.gz MVUFJUXIFJKRBC-NSHDSACASA-N -1 1 275.682 2.821 20 0 CFADMM C[C@@]1(CCNC(=O)c2cc(F)ccc2[O-])CC1(F)F ZINC000618634932 352847081 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DWUPLHZUBIINHQ-MRVPVSSYSA-N -1 1 288.419 2.553 20 0 CFADMM CCC[C@@H](NC(=O)CCCC[C@H](C)CC)c1nn[n-]n1 ZINC000680206529 540199735 /nfs/dbraw/zinc/19/97/35/540199735.db2.gz IUIJCTKNROHMOZ-VXGBXAGGSA-N -1 1 281.404 2.764 20 0 CFADMM C[C@@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)[C@@H](C)[C@H](C)O1 ZINC000632685642 355728150 /nfs/dbraw/zinc/72/81/50/355728150.db2.gz IFPHSZJGCVNWIC-VWYCJHECSA-N -1 1 297.782 2.612 20 0 CFADMM CO[C@](C)(CNC(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000633151703 355812066 /nfs/dbraw/zinc/81/20/66/355812066.db2.gz BEBXIAOVJVWJEM-OAHLLOKOSA-N -1 1 297.782 2.519 20 0 CFADMM CC[C@H](CC(=O)Nc1c(C)[n-][nH]c1=O)C(C)(C)C ZINC000633191018 355822087 /nfs/dbraw/zinc/82/20/87/355822087.db2.gz PQPYOEDEPJUGTP-SECBINFHSA-N -1 1 253.346 2.825 20 0 CFADMM CC(=O)CN(C(=O)c1cc2ccccc2cc1[O-])C(C)C ZINC000633224609 355833543 /nfs/dbraw/zinc/83/35/43/355833543.db2.gz HEUHEQYZZINTDH-UHFFFAOYSA-N -1 1 285.343 2.985 20 0 CFADMM CC(F)(F)CCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633243340 355843356 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CC1(C)CN(C(=O)C(=O)c2ccc([O-])cc2)[C@H]1c1ccco1 ZINC000633793115 356002125 /nfs/dbraw/zinc/00/21/25/356002125.db2.gz DTPXECZYWPWVOV-HNNXBMFYSA-N -1 1 299.326 2.778 20 0 CFADMM CC(C)CC[C@@H](CO)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633680208 355969014 /nfs/dbraw/zinc/96/90/14/355969014.db2.gz MNTVMMYQYJVOHD-LBPRGKRZSA-N -1 1 299.798 2.501 20 0 CFADMM CCCc1nc(C(=O)[N-]c2nnc(C(C)C)s2)co1 ZINC000273541085 192194645 /nfs/dbraw/zinc/19/46/45/192194645.db2.gz SZVMTLMVPLOZPI-UHFFFAOYSA-N -1 1 280.353 2.854 20 0 CFADMM C[C@@H]1CN(C(=O)c2cncc([O-])c2)[C@H]1c1ccccc1 ZINC000175162408 188936779 /nfs/dbraw/zinc/93/67/79/188936779.db2.gz QULNUACJUWVQTK-IAQYHMDHSA-N -1 1 268.316 2.620 20 0 CFADMM C[C@@H]1C[C@@H]1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000352500840 540249548 /nfs/dbraw/zinc/24/95/48/540249548.db2.gz YLPZBKHCMJERAQ-MWLCHTKSSA-N -1 1 271.320 2.767 20 0 CFADMM O=C([O-])C[C@H]1CCCCN1Cc1c(F)cccc1F ZINC000086775613 540250291 /nfs/dbraw/zinc/25/02/91/540250291.db2.gz NHNKHKSQPXUBKV-SNVBAGLBSA-N -1 1 269.291 2.794 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]1CF ZINC000294346965 199006709 /nfs/dbraw/zinc/00/67/09/199006709.db2.gz QNUMHJLJFKXCPO-SECBINFHSA-N -1 1 257.692 2.620 20 0 CFADMM CC[C@H](C)N(CC(=O)OC)Cc1cccc([O-])c1Cl ZINC000294526036 199072468 /nfs/dbraw/zinc/07/24/68/199072468.db2.gz CWJLFBIOKYSOFS-JTQLQIEISA-N -1 1 285.771 2.819 20 0 CFADMM C[C@@H]1CC[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)C[C@H]1C ZINC000294599414 199101714 /nfs/dbraw/zinc/10/17/14/199101714.db2.gz RCPKHSZALZNPOH-PRJMDXOYSA-N -1 1 290.289 2.834 20 0 CFADMM O=C([O-])CCCCCNc1nc(C2CCCC2)ns1 ZINC000422560302 237103330 /nfs/dbraw/zinc/10/33/30/237103330.db2.gz WXYRMRYLRPKROY-UHFFFAOYSA-N -1 1 283.397 2.675 20 0 CFADMM C[C@H](C(=O)[N-]OC(C)(C)CO)c1ccc2ccccc2c1 ZINC000297167277 200102956 /nfs/dbraw/zinc/10/29/56/200102956.db2.gz KFUNNLJQYCZIJH-LBPRGKRZSA-N -1 1 287.359 2.762 20 0 CFADMM O=C(N[C@H]1CCC[C@@H](CO)C1)c1cc2ccccc2cc1[O-] ZINC000298205608 200360340 /nfs/dbraw/zinc/36/03/40/200360340.db2.gz 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/nfs/dbraw/zinc/41/13/01/541411301.db2.gz CRIPZKOIXAJCHC-UHFFFAOYSA-N -1 1 288.322 2.597 20 0 CFADMM O=C(N[C@@H]1CC[C@H](F)C1)c1ccc(Cl)cc1[O-] ZINC000436742616 240494984 /nfs/dbraw/zinc/49/49/84/240494984.db2.gz FOGPMCQYUXEXAH-DTWKUNHWSA-N -1 1 257.692 2.666 20 0 CFADMM CC(C)(C)c1ncc(C(=O)Nc2c([O-])cccc2F)cn1 ZINC000672901299 541460176 /nfs/dbraw/zinc/46/01/76/541460176.db2.gz LGBVKXWRYPTCJA-UHFFFAOYSA-N -1 1 289.310 2.871 20 0 CFADMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@H]3C[C@@H]3C3CC3)[nH][n-]2)c1 ZINC000444782685 241194227 /nfs/dbraw/zinc/19/42/27/241194227.db2.gz IYBLUDFAEOHYSW-NEPJUHHUSA-N -1 1 299.349 2.931 20 0 CFADMM CC(C)c1nc2ccccc2c(SCc2nn[n-]n2)n1 ZINC000447331655 241369471 /nfs/dbraw/zinc/36/94/71/241369471.db2.gz SRBPWTXCNSULLM-UHFFFAOYSA-N -1 1 286.364 2.559 20 0 CFADMM C[C@H](CNC(=O)c1cc(Cl)ccc1[O-])c1ccncc1 ZINC000674137675 541544330 /nfs/dbraw/zinc/54/43/30/541544330.db2.gz SSAZVXFGNDLMDI-SNVBAGLBSA-N -1 1 290.750 2.974 20 0 CFADMM CC(C)O[C@@]1(C(=O)Nc2ccc([O-])c(Cl)c2)CCOC1 ZINC000450295019 242344674 /nfs/dbraw/zinc/34/46/74/242344674.db2.gz UJFLHVUNEXQLSI-AWEZNQCLSA-N -1 1 299.754 2.568 20 0 CFADMM CO[C@H](C)c1nc(=N[C@H]2C[C@H](C)C[C@H](C)C2)s[n-]1 ZINC000336785396 294344922 /nfs/dbraw/zinc/34/49/22/294344922.db2.gz DDHRBJCQOGIYMV-YTWAJWBKSA-N -1 1 269.414 2.904 20 0 CFADMM O=C(NCC[C@H]1CCc2ccccc21)c1cncc([O-])c1 ZINC000452312971 243125628 /nfs/dbraw/zinc/12/56/28/243125628.db2.gz IOTZWSAPUXBWNR-CYBMUJFWSA-N -1 1 282.343 2.637 20 0 CFADMM CC[C@@H]1CCCC[C@H]1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000452426483 243166857 /nfs/dbraw/zinc/16/68/57/243166857.db2.gz UAACXEGVKJQGOV-OCCSQVGLSA-N -1 1 289.375 2.908 20 0 CFADMM CC(C)[C@H]1C[C@@H](CNC(=O)c2cc(F)ccc2[O-])CCO1 ZINC000452818594 243310483 /nfs/dbraw/zinc/31/04/83/243310483.db2.gz HCHZVHJUGSWNFX-XHDPSFHLSA-N -1 1 295.354 2.712 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1Cc2cc(F)ccc2O1 ZINC000676055729 541722781 /nfs/dbraw/zinc/72/27/81/541722781.db2.gz LYJPDZJNYUUCSM-CQSZACIVSA-N -1 1 291.253 2.613 20 0 CFADMM O=C(CCCc1ccccn1)Nc1ccc(F)cc1[O-] ZINC000676056382 541722803 /nfs/dbraw/zinc/72/28/03/541722803.db2.gz ZRYJAEDVXTWBAH-UHFFFAOYSA-N -1 1 274.295 2.888 20 0 CFADMM CCNc1nc(C(=O)Nc2c([O-])cccc2F)cs1 ZINC000676151565 541730362 /nfs/dbraw/zinc/73/03/62/541730362.db2.gz NYVFMGXOMJHCNJ-UHFFFAOYSA-N -1 1 281.312 2.672 20 0 CFADMM COc1ccc(C(=O)Nc2ccc3c(n2)CCC3)c([O-])c1 ZINC000456632234 244246134 /nfs/dbraw/zinc/24/61/34/244246134.db2.gz AEQAXNQCVMFIGK-UHFFFAOYSA-N -1 1 284.315 2.537 20 0 CFADMM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc([O-])c(F)c2F)O1 ZINC000456781888 244285894 /nfs/dbraw/zinc/28/58/94/244285894.db2.gz JZFFCHRVBUPNIV-IUCAKERBSA-N -1 1 285.290 2.957 20 0 CFADMM CCO[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)ccc1[O-] ZINC000456951937 244335391 /nfs/dbraw/zinc/33/53/91/244335391.db2.gz YIGMSFFLJZJQBG-DGCLKSJQSA-N -1 1 283.755 2.733 20 0 CFADMM CCC(CC)CN(CC)C(=O)c1ncc(C)cc1[O-] ZINC000330888517 203356718 /nfs/dbraw/zinc/35/67/18/203356718.db2.gz UMHLSWHRGIEJHE-UHFFFAOYSA-N -1 1 264.369 2.994 20 0 CFADMM CC(C)(C)c1nnc(CNCc2cccc([O-])c2Cl)[nH]1 ZINC000459666591 245265105 /nfs/dbraw/zinc/26/51/05/245265105.db2.gz CBJGFQKCNSNPHB-UHFFFAOYSA-N -1 1 294.786 2.751 20 0 CFADMM CC1(c2nc(-c3ccc([O-])cc3F)no2)CCC(=O)CC1 ZINC000331703519 204091274 /nfs/dbraw/zinc/09/12/74/204091274.db2.gz XKYNEWGNHQCWEE-UHFFFAOYSA-N -1 1 290.294 2.982 20 0 CFADMM Cc1cnc(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)c([O-])c1 ZINC000332003288 204378278 /nfs/dbraw/zinc/37/82/78/204378278.db2.gz RKYIDMVLSYTSOK-IUODEOHRSA-N -1 1 276.380 2.848 20 0 CFADMM Cc1cc(CNC(=O)c2ccc3ccccc3c2[O-])ncn1 ZINC000677497005 541867521 /nfs/dbraw/zinc/86/75/21/541867521.db2.gz BQLJJENMKIWIFO-UHFFFAOYSA-N -1 1 293.326 2.574 20 0 CFADMM CCCCCc1nnc([N-]C(=O)c2cc(C)on2)s1 ZINC000022919260 372247957 /nfs/dbraw/zinc/24/79/57/372247957.db2.gz OZBCZGMEDRLLJD-UHFFFAOYSA-N -1 1 280.353 2.820 20 0 CFADMM CC[C@H]1CCCCN1Cc1nc(C(=O)[O-])cs1 ZINC000031945125 372423856 /nfs/dbraw/zinc/42/38/56/372423856.db2.gz PXCZDYNRZBOXEI-VIFPVBQESA-N -1 1 254.355 2.606 20 0 CFADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccn1 ZINC000035122137 372541354 /nfs/dbraw/zinc/54/13/54/372541354.db2.gz SGSPCLAKLFJEPN-SECBINFHSA-N -1 1 276.723 2.932 20 0 CFADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1cccnc1 ZINC000035124703 372544068 /nfs/dbraw/zinc/54/40/68/372544068.db2.gz BRNMIODQILQEMR-SECBINFHSA-N -1 1 276.723 2.932 20 0 CFADMM CN(CCC(=O)[O-])Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000037932729 372740255 /nfs/dbraw/zinc/74/02/55/372740255.db2.gz DCHDWYHANHNNHU-UHFFFAOYSA-N -1 1 294.738 2.902 20 0 CFADMM O=C([O-])[C@H](NCc1cccs1)c1cccs1 ZINC000041672559 372857859 /nfs/dbraw/zinc/85/78/59/372857859.db2.gz CJACOOOHWFSSHA-SNVBAGLBSA-N -1 1 253.348 2.725 20 0 CFADMM Cc1nnc(NC(=O)c2cc3ccccc3cc2[O-])s1 ZINC000041791546 372862276 /nfs/dbraw/zinc/86/22/76/372862276.db2.gz UKKSVQZYROZDMW-UHFFFAOYSA-N -1 1 285.328 2.958 20 0 CFADMM CN(Cc1ccoc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000042356201 372910745 /nfs/dbraw/zinc/91/07/45/372910745.db2.gz HXOYZMPEMUENCU-UHFFFAOYSA-N -1 1 265.696 2.911 20 0 CFADMM CN(CCCC(=O)[O-])Cc1csc(-c2ccccn2)n1 ZINC000042716550 372949824 /nfs/dbraw/zinc/94/98/24/372949824.db2.gz WWNANFZORVVANM-UHFFFAOYSA-N -1 1 291.376 2.502 20 0 CFADMM O=C(NO[C@H]1CCCCO1)c1cc2ccccc2cc1[O-] ZINC000060333148 373690071 /nfs/dbraw/zinc/69/00/71/373690071.db2.gz QKBOHUCYCACJGI-HNNXBMFYSA-N -1 1 287.315 2.733 20 0 CFADMM CSc1n[nH]c(NC(=O)c2cc(SC)ccc2C)n1 ZINC000264138456 383698962 /nfs/dbraw/zinc/69/89/62/383698962.db2.gz FGOVBQSSAYLYIL-UHFFFAOYSA-N -1 1 294.405 2.809 20 0 CFADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000073631099 374361310 /nfs/dbraw/zinc/36/13/10/374361310.db2.gz DVYZMPABASHDOI-UHFFFAOYSA-N -1 1 295.335 2.773 20 0 CFADMM COc1cc(-c2nc3cccnc3c(=O)[n-]2)ccc1F ZINC000491590318 541927672 /nfs/dbraw/zinc/92/76/72/541927672.db2.gz ZAYBRZDAORRTNK-UHFFFAOYSA-N -1 1 271.251 2.545 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]2CCC[C@H]21 ZINC000181239150 296222150 /nfs/dbraw/zinc/22/21/50/296222150.db2.gz RZZGCPBRBICVAW-IINYFYTJSA-N -1 1 263.312 2.936 20 0 CFADMM O=C(Cc1ccncc1)Nc1ccc([O-])c(Cl)c1 ZINC000085204458 374797220 /nfs/dbraw/zinc/79/72/20/374797220.db2.gz BHVGHRFBYJFBBD-UHFFFAOYSA-N -1 1 262.696 2.622 20 0 CFADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)c1 ZINC000085203563 374797316 /nfs/dbraw/zinc/79/73/16/374797316.db2.gz DZMBZXPMVVPCGW-UHFFFAOYSA-N -1 1 277.345 2.810 20 0 CFADMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000529465191 383703635 /nfs/dbraw/zinc/70/36/35/383703635.db2.gz IQALPUMHXDZVAB-LITAXDCLSA-N -1 1 285.290 2.668 20 0 CFADMM O=C(CC[C@@H]1CCCO1)Nc1ccc([O-])c(Cl)c1 ZINC000087217556 374809783 /nfs/dbraw/zinc/80/97/83/374809783.db2.gz MLVJVLWHUGMQDA-JTQLQIEISA-N -1 1 269.728 2.943 20 0 CFADMM CN(CCOCC1CC1)C(=O)c1cc(Cl)ccc1[O-] ZINC000088239239 374840478 /nfs/dbraw/zinc/84/04/78/374840478.db2.gz SBRHJTQRUWSLSU-UHFFFAOYSA-N -1 1 283.755 2.544 20 0 CFADMM CCc1onc(C)c1[N-]C(=O)c1noc2c1CCCC2 ZINC000089397757 374900483 /nfs/dbraw/zinc/90/04/83/374900483.db2.gz HXTALXFGOMNEAD-UHFFFAOYSA-N -1 1 275.308 2.665 20 0 CFADMM CC(C)C(NC(=O)c1cc(F)ccc1[O-])C(C)C ZINC000678320738 542005806 /nfs/dbraw/zinc/00/58/06/542005806.db2.gz KUSQCTKGPCNXBP-UHFFFAOYSA-N -1 1 253.317 2.942 20 0 CFADMM Cn1ncc2c1nc(Oc1cccc3c1CCCC3)[n-]c2=O ZINC000678403250 542019985 /nfs/dbraw/zinc/01/99/85/542019985.db2.gz SXZDBWDDZUKQOJ-UHFFFAOYSA-N -1 1 296.330 2.740 20 0 CFADMM CO[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000102791937 375692231 /nfs/dbraw/zinc/69/22/31/375692231.db2.gz SCDMPZCPZYXFKS-ZDUSSCGKSA-N -1 1 285.343 2.796 20 0 CFADMM COc1ccc(-c2nc(-c3ccco3)no2)c([O-])c1 ZINC000104422639 375782672 /nfs/dbraw/zinc/78/26/72/375782672.db2.gz WNEUUVFYFHKYDE-UHFFFAOYSA-N -1 1 258.233 2.711 20 0 CFADMM CO[C@H](C)c1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000111596711 375856049 /nfs/dbraw/zinc/85/60/49/375856049.db2.gz ONLQHSQUVQLVBQ-SNVBAGLBSA-N -1 1 272.304 2.747 20 0 CFADMM CC(C)[C@H]1CCC[C@H](NC(=O)c2cncc([O-])c2)C1 ZINC000111608980 375858410 /nfs/dbraw/zinc/85/84/10/375858410.db2.gz DXBWXVCBCIDJHE-AAEUAGOBSA-N -1 1 262.353 2.732 20 0 CFADMM CC[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000111643989 375859801 /nfs/dbraw/zinc/85/98/01/375859801.db2.gz FMVAYNWNFMEUSK-ONGXEEELSA-N -1 1 283.755 2.685 20 0 CFADMM CCS[C@@H]1CCCCN(C(=O)c2ncccc2[O-])C1 ZINC000112118236 375885043 /nfs/dbraw/zinc/88/50/43/375885043.db2.gz BXAPPUKMOWLJDM-LLVKDONJSA-N -1 1 280.393 2.535 20 0 CFADMM O=C([N-]c1nncs1)c1cnc(-c2ccsc2)s1 ZINC000112231643 375894141 /nfs/dbraw/zinc/89/41/41/375894141.db2.gz IYYQEBZIXNBHPX-UHFFFAOYSA-N -1 1 294.386 2.975 20 0 CFADMM CC[C@H](NC(=O)c1cncc([O-])c1)c1cccs1 ZINC000111739448 375866867 /nfs/dbraw/zinc/86/68/67/375866867.db2.gz HNQRDTUCKJFTPH-NSHDSACASA-N -1 1 262.334 2.730 20 0 CFADMM O=C(c1cncc([O-])c1)N(Cc1ccccc1)C1CC1 ZINC000111775312 375869104 /nfs/dbraw/zinc/86/91/04/375869104.db2.gz RQHPPOORNIRIEP-UHFFFAOYSA-N -1 1 268.316 2.592 20 0 CFADMM Cc1ccc(NC(=O)c2cncc([O-])c2)c2cccnc12 ZINC000111776400 375869483 /nfs/dbraw/zinc/86/94/83/375869483.db2.gz JDKNPHKYWRJATH-UHFFFAOYSA-N -1 1 279.299 2.896 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCOC[C@@H]1C1CC1 ZINC000091697684 296240657 /nfs/dbraw/zinc/24/06/57/296240657.db2.gz JYVRGLZUDNAYTA-MRXNPFEDSA-N -1 1 297.354 2.796 20 0 CFADMM O=C(NC1CC=CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000678965178 542102248 /nfs/dbraw/zinc/10/22/48/542102248.db2.gz VFOJDKUTPNRICB-UHFFFAOYSA-N -1 1 271.238 2.859 20 0 CFADMM O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000121327570 376806581 /nfs/dbraw/zinc/80/65/81/376806581.db2.gz FNLPRKPWNVKECC-RISCZKNCSA-N -1 1 295.766 2.733 20 0 CFADMM C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C[C@H]1F ZINC000679247889 542145713 /nfs/dbraw/zinc/14/57/13/542145713.db2.gz HWARZMMASZKVTN-LDYMZIIASA-N -1 1 271.719 2.866 20 0 CFADMM CCc1cc(=O)[n-]c(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000121530339 376852306 /nfs/dbraw/zinc/85/23/06/376852306.db2.gz ZKPOMEFWXLFLOU-AAEUAGOBSA-N -1 1 261.369 2.509 20 0 CFADMM CC1(NC(=O)c2ccc(Br)c([O-])c2)CCC1 ZINC000124663701 377075532 /nfs/dbraw/zinc/07/55/32/377075532.db2.gz GCPFYZMEPUOJMT-UHFFFAOYSA-N -1 1 284.153 2.827 20 0 CFADMM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451823740 383718119 /nfs/dbraw/zinc/71/81/19/383718119.db2.gz KMWVRYXQWAOBGS-KOLCDFICSA-N -1 1 297.351 2.896 20 0 CFADMM Cc1ccc2cc(C(=O)Nc3ccncc3[O-])ccc2n1 ZINC000127050401 377262191 /nfs/dbraw/zinc/26/21/91/377262191.db2.gz CBBPXSPVHSKWEC-UHFFFAOYSA-N -1 1 279.299 2.896 20 0 CFADMM O=C(N[C@H]1CC[C@H](CO)CC1)c1ccc2ccccc2c1[O-] ZINC000129360361 377415707 /nfs/dbraw/zinc/41/57/07/377415707.db2.gz KSKJECBQGFVPKP-XBXGTLAGSA-N -1 1 299.370 2.826 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnc2[nH]cnc2c1 ZINC000679643444 542220077 /nfs/dbraw/zinc/22/00/77/542220077.db2.gz IQTGFOHKLVLKGP-UHFFFAOYSA-N -1 1 288.694 2.569 20 0 CFADMM CCCCc1cc(NC(=O)c2ccc([O-])cc2F)n[nH]1 ZINC000162782692 542230897 /nfs/dbraw/zinc/23/08/97/542230897.db2.gz DGUYKINFFQEEKE-UHFFFAOYSA-N -1 1 277.299 2.849 20 0 CFADMM O=C(NCCC[C@H]1CCCC[C@H]1O)c1cc(F)ccc1[O-] ZINC000134428994 378013173 /nfs/dbraw/zinc/01/31/73/378013173.db2.gz DFWKNDGMMJTEJU-BXUZGUMPSA-N -1 1 295.354 2.592 20 0 CFADMM Cc1cnc(C(=O)N(CC2CC2)CC2CCC2)c([O-])c1 ZINC000330106261 378523407 /nfs/dbraw/zinc/52/34/07/378523407.db2.gz KQNFJAYBZSZOSZ-UHFFFAOYSA-N -1 1 274.364 2.748 20 0 CFADMM C[C@H]1CCC[C@H](CC(=O)Nc2n[n-]c(C(F)(F)F)n2)C1 ZINC000153942529 378524388 /nfs/dbraw/zinc/52/43/88/378524388.db2.gz GSYMNIYHRBAHKZ-YUMQZZPRSA-N -1 1 290.289 2.978 20 0 CFADMM O=C(Nc1cncc(Br)c1)c1ccccc1[O-] ZINC000153159132 378478553 /nfs/dbraw/zinc/47/85/53/378478553.db2.gz FCBMVDCUIQASJY-UHFFFAOYSA-N -1 1 293.120 2.802 20 0 CFADMM COc1ccccc1SCC(=O)Nc1ccncc1[O-] ZINC000153829545 378514746 /nfs/dbraw/zinc/51/47/46/378514746.db2.gz NJNJHAXPDBCUQC-UHFFFAOYSA-N -1 1 290.344 2.527 20 0 CFADMM Cc1nc(C(C)(C)NC(=O)c2ncccc2[O-])sc1C ZINC000153858412 378518808 /nfs/dbraw/zinc/51/88/08/378518808.db2.gz MCQOWUUXJXOFNU-UHFFFAOYSA-N -1 1 291.376 2.526 20 0 CFADMM Cc1ccccc1OCCNC(=O)c1ccc([O-])cc1F ZINC000154631142 378586432 /nfs/dbraw/zinc/58/64/32/378586432.db2.gz JGVHFYRIBKINNV-UHFFFAOYSA-N -1 1 289.306 2.649 20 0 CFADMM COC(C)(C)CS(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000331266882 378660659 /nfs/dbraw/zinc/66/06/59/378660659.db2.gz QYBFNNGSFVSEFL-UHFFFAOYSA-N -1 1 295.763 2.646 20 0 CFADMM O=C(Nc1ccc(Cl)cc1[O-])c1c[nH]c(C2CC2)n1 ZINC000334198528 378913129 /nfs/dbraw/zinc/91/31/29/378913129.db2.gz MAHBKKIEGFMTNO-UHFFFAOYSA-N -1 1 277.711 2.898 20 0 CFADMM O=C(c1ncccc1[O-])N1CCC[C@H](Nc2ccccc2)C1 ZINC000164021371 379000661 /nfs/dbraw/zinc/00/06/61/379000661.db2.gz CULSBKQSIZXQSW-AWEZNQCLSA-N -1 1 297.358 2.504 20 0 CFADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)C1CC1 ZINC000289466180 197361365 /nfs/dbraw/zinc/36/13/65/197361365.db2.gz GVGRTKREIOSDOD-RXMQYKEDSA-N -1 1 274.292 2.580 20 0 CFADMM COc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1F ZINC000334325200 379097987 /nfs/dbraw/zinc/09/79/87/379097987.db2.gz AUSVCEUHPVHQSY-UHFFFAOYSA-N -1 1 279.242 2.931 20 0 CFADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCCCS1 ZINC000680000554 542263362 /nfs/dbraw/zinc/26/33/62/542263362.db2.gz KVKIBYFXMPHPDR-JTQLQIEISA-N -1 1 255.314 2.756 20 0 CFADMM COc1ccc(C(=O)N(C)c2ccccc2OC)c([O-])c1 ZINC000048442230 412905775 /nfs/dbraw/zinc/90/57/75/412905775.db2.gz VAJADXAPYPVLMR-UHFFFAOYSA-N -1 1 287.315 2.686 20 0 CFADMM COc1ccsc1C(=O)Nc1ccc(F)cc1[O-] ZINC000334358966 379154133 /nfs/dbraw/zinc/15/41/33/379154133.db2.gz UVSZJZBWJXGQKQ-UHFFFAOYSA-N -1 1 267.281 2.854 20 0 CFADMM O=C(Cc1ccsc1)Nc1ccc(F)cc1[O-] ZINC000334382625 379200616 /nfs/dbraw/zinc/20/06/16/379200616.db2.gz KMCHPHPNWSVGIJ-UHFFFAOYSA-N -1 1 251.282 2.774 20 0 CFADMM C[C@@]1(c2ccccc2)CCN(C(=O)c2cncc([O-])c2)C1 ZINC000334388731 379208189 /nfs/dbraw/zinc/20/81/89/379208189.db2.gz QZQOABGTKHDXIN-QGZVFWFLSA-N -1 1 282.343 2.591 20 0 CFADMM C[C@@H]1CCC[C@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000334401102 379234304 /nfs/dbraw/zinc/23/43/04/379234304.db2.gz FKQJZHAUWCJRQF-VXNVDRBHSA-N -1 1 255.264 2.589 20 0 CFADMM Cc1cnc(C(=O)N(C)C2CCC(C)CC2)c([O-])c1 ZINC000334418967 379264735 /nfs/dbraw/zinc/26/47/35/379264735.db2.gz PPPHEQQDLXYVFU-UHFFFAOYSA-N -1 1 262.353 2.746 20 0 CFADMM Cc1nc(C)c(C(=O)Nc2ccc(F)cc2[O-])s1 ZINC000334430065 379284236 /nfs/dbraw/zinc/28/42/36/379284236.db2.gz ZPTQIXUCUMISCT-UHFFFAOYSA-N -1 1 266.297 2.857 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000335490158 379392506 /nfs/dbraw/zinc/39/25/06/379392506.db2.gz BVVNFCWSQMEBIQ-VIFPVBQESA-N -1 1 288.269 2.592 20 0 CFADMM CCO[C@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C[C@H]1C ZINC000334546320 379499896 /nfs/dbraw/zinc/49/98/96/379499896.db2.gz TVUPKTUNBLZRRY-SKDRFNHKSA-N -1 1 299.317 2.558 20 0 CFADMM CO[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C[C@H]1C ZINC000334534392 379472907 /nfs/dbraw/zinc/47/29/07/379472907.db2.gz PAPCQXGIPXJCBO-RNCFNFMXSA-N -1 1 283.755 2.543 20 0 CFADMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cncc([O-])c1 ZINC000172092246 379490089 /nfs/dbraw/zinc/49/00/89/379490089.db2.gz QSYYSSUIGGLKMR-WFASDCNBSA-N -1 1 282.343 2.805 20 0 CFADMM CCO[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H]1C ZINC000334542131 379492872 /nfs/dbraw/zinc/49/28/72/379492872.db2.gz ASUSIBIMWLNUKC-HZMBPMFUSA-N -1 1 297.782 2.933 20 0 CFADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cccc(F)c1F ZINC000334603953 379608941 /nfs/dbraw/zinc/60/89/41/379608941.db2.gz TVRSDWVQDGVGLG-GXSJLCMTSA-N -1 1 269.291 2.650 20 0 CFADMM C[C@@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)[C@@H]1C ZINC000172855525 379658518 /nfs/dbraw/zinc/65/85/18/379658518.db2.gz ACOQLCGZJMBDHL-NXEZZACHSA-N -1 1 277.393 2.605 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(CF)CCOCC1 ZINC000334653844 379714780 /nfs/dbraw/zinc/71/47/80/379714780.db2.gz WMBQCTXVFUGEAR-UHFFFAOYSA-N -1 1 287.718 2.750 20 0 CFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1C=CCCC1 ZINC000335679245 379709727 /nfs/dbraw/zinc/70/97/27/379709727.db2.gz CVYMUTSYSQEPFC-LLVKDONJSA-N -1 1 289.379 2.627 20 0 CFADMM C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cncc([O-])c1 ZINC000173645022 379760638 /nfs/dbraw/zinc/76/06/38/379760638.db2.gz JXEDILZRRCXVNI-MJVIPROJSA-N -1 1 260.337 2.580 20 0 CFADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccncc1F ZINC000335778078 379873715 /nfs/dbraw/zinc/87/37/15/379873715.db2.gz HXPQBYADXHUDNK-MRVPVSSYSA-N -1 1 278.258 2.556 20 0 CFADMM O=C(c1c(F)ccc([O-])c1F)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000334757387 379894318 /nfs/dbraw/zinc/89/43/18/379894318.db2.gz KNBOTKPGRJSCRL-BONVTDFDSA-N -1 1 293.313 2.931 20 0 CFADMM C[C@H]1CC(C)(C)CN1C(=O)c1c(F)ccc([O-])c1F ZINC000335207743 380009329 /nfs/dbraw/zinc/00/93/29/380009329.db2.gz HBFQLOCKPOAHHO-QMMMGPOBSA-N -1 1 269.291 2.931 20 0 CFADMM C[C@@]1(C(=O)Nc2ccc([O-])c(F)c2F)CC1(F)F ZINC000335208136 380010086 /nfs/dbraw/zinc/01/00/86/380010086.db2.gz GQPNZJARZWSKSC-JTQLQIEISA-N -1 1 263.190 2.654 20 0 CFADMM O=C(Nc1ccc(Cl)cc1[O-])c1occ2c1CCOC2 ZINC000335889100 380056889 /nfs/dbraw/zinc/05/68/89/380056889.db2.gz FWHXFVFVDJCZIJ-UHFFFAOYSA-N -1 1 293.706 2.964 20 0 CFADMM Cc1cccc2c(CCNC(=O)c3ncccc3[O-])c[nH]c21 ZINC000175487287 380073736 /nfs/dbraw/zinc/07/37/36/380073736.db2.gz GZOCXFWYHGJVON-UHFFFAOYSA-N -1 1 295.342 2.549 20 0 CFADMM COc1csc(C(=O)[N-]c2nnc(C(F)F)s2)c1 ZINC000176651878 380260870 /nfs/dbraw/zinc/26/08/70/380260870.db2.gz DJKVHEQWINJSNO-UHFFFAOYSA-N -1 1 291.304 2.798 20 0 CFADMM Cc1cnc(C(=O)N(C)Cc2ccc(F)cc2F)c([O-])c1 ZINC000336502074 380375550 /nfs/dbraw/zinc/37/55/50/380375550.db2.gz FTPVMSBFWLDWNX-UHFFFAOYSA-N -1 1 292.285 2.646 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC2(CCC2(F)F)C1 ZINC000336488791 380355359 /nfs/dbraw/zinc/35/53/59/380355359.db2.gz GQJMMPXHZFSEJJ-UHFFFAOYSA-N -1 1 287.693 2.917 20 0 CFADMM O=C(NCCCc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000179069153 380506438 /nfs/dbraw/zinc/50/64/38/380506438.db2.gz SEMPQMGUFJDGIK-UHFFFAOYSA-N -1 1 290.750 2.803 20 0 CFADMM Cc1cccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c1 ZINC000179330538 380529630 /nfs/dbraw/zinc/52/96/30/380529630.db2.gz BBJMEIOREAGSID-UHFFFAOYSA-N -1 1 281.308 2.641 20 0 CFADMM Cc1ccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)cc1C ZINC000179381278 380537738 /nfs/dbraw/zinc/53/77/38/380537738.db2.gz LVJILTWLHXYWHV-UHFFFAOYSA-N -1 1 296.330 2.543 20 0 CFADMM COc1ccccc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000180020065 380610763 /nfs/dbraw/zinc/61/07/63/380610763.db2.gz LXISLBGMAPPFOL-UHFFFAOYSA-N -1 1 295.335 2.944 20 0 CFADMM CCS[C@H]1CCC[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000181252181 380764718 /nfs/dbraw/zinc/76/47/18/380764718.db2.gz ZWWKTCZQUVIDPH-OLZOCXBDSA-N -1 1 283.368 2.935 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCc2ccccc21 ZINC000181095486 380738142 /nfs/dbraw/zinc/73/81/42/380738142.db2.gz DCVDROFEZGCBCK-UHFFFAOYSA-N -1 1 257.264 2.734 20 0 CFADMM O=C([O-])c1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)cc1 ZINC000346993260 380857905 /nfs/dbraw/zinc/85/79/05/380857905.db2.gz NYDJYKRUERIECJ-UHFFFAOYSA-N -1 1 299.261 2.653 20 0 CFADMM CC(C)O[N-]C(=O)[C@H](C)c1cn(C)c2ccccc12 ZINC000295545051 380929730 /nfs/dbraw/zinc/92/97/30/380929730.db2.gz LCGYDRJGIAELIO-LLVKDONJSA-N -1 1 260.337 2.738 20 0 CFADMM C[C@H]([N-]C(=O)C(F)F)c1c(F)cccc1Cl ZINC000279248063 194350850 /nfs/dbraw/zinc/35/08/50/194350850.db2.gz UDEBXRWNCNCWRZ-YFKPBYRVSA-N -1 1 251.635 2.921 20 0 CFADMM Cc1cnc(C(=O)NCc2cccc3cccnc32)c([O-])c1 ZINC000358602292 380962824 /nfs/dbraw/zinc/96/28/24/380962824.db2.gz OFKYWKNVQANBEB-UHFFFAOYSA-N -1 1 293.326 2.574 20 0 CFADMM CC[C@](C)(NC(=O)c1ncc(C)cc1[O-])c1nccs1 ZINC000358610109 380965959 /nfs/dbraw/zinc/96/59/59/380965959.db2.gz ALCYYJYNJAPUBJ-AWEZNQCLSA-N -1 1 291.376 2.607 20 0 CFADMM O=C(NC1(c2cccc(Cl)c2)CC1)c1ncccc1[O-] ZINC000358614002 380967671 /nfs/dbraw/zinc/96/76/71/380967671.db2.gz HVGIYDWZLQHVOF-UHFFFAOYSA-N -1 1 288.734 2.860 20 0 CFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1C[C@@H](F)[C@@H](F)C1 ZINC000295604979 380969068 /nfs/dbraw/zinc/96/90/68/380969068.db2.gz FVJBHXLLEHTSGY-DTORHVGOSA-N -1 1 295.207 2.543 20 0 CFADMM Cc1cnc(C(=O)NC2(c3cccc(F)c3)CC2)c([O-])c1 ZINC000358615859 380969444 /nfs/dbraw/zinc/96/94/44/380969444.db2.gz LNIVIEBMNLIFDZ-UHFFFAOYSA-N -1 1 286.306 2.654 20 0 CFADMM C[C@@H](CNC(=O)c1ncccc1[O-])Sc1ccccc1 ZINC000358633170 380981940 /nfs/dbraw/zinc/98/19/40/380981940.db2.gz QPZRLONAAFYSQE-NSHDSACASA-N -1 1 288.372 2.698 20 0 CFADMM Cn1cccc1[C@H]1CCCCCN1C(=O)c1cncc([O-])c1 ZINC000279292946 194372297 /nfs/dbraw/zinc/37/22/97/194372297.db2.gz YIJXQBHLGQZGLQ-MRXNPFEDSA-N -1 1 299.374 2.883 20 0 CFADMM O=C(NCc1ccc(Cl)cn1)c1cc(F)ccc1[O-] ZINC000182126596 380997084 /nfs/dbraw/zinc/99/70/84/380997084.db2.gz NINILLUBNWAIRE-UHFFFAOYSA-N -1 1 280.686 2.510 20 0 CFADMM C[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000182332025 381065663 /nfs/dbraw/zinc/06/56/63/381065663.db2.gz PRZFECZAMKKQKG-ZETCQYMHSA-N -1 1 284.241 2.566 20 0 CFADMM COCC[C@H]1CCCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000368492333 381045396 /nfs/dbraw/zinc/04/53/96/381045396.db2.gz NBZIIUDJEFAOIA-GFCCVEGCSA-N -1 1 295.354 2.810 20 0 CFADMM CC[C@@](C)(CCO)NC(=O)c1cc2ccccc2cc1[O-] ZINC000182788453 381158523 /nfs/dbraw/zinc/15/85/23/381158523.db2.gz IKUJWQYFBCJUTF-KRWDZBQOSA-N -1 1 287.359 2.826 20 0 CFADMM CSC(C)(C)CNC(=O)c1c(F)ccc([O-])c1F ZINC000289811607 381171353 /nfs/dbraw/zinc/17/13/53/381171353.db2.gz SUPOIBRYWZWJDW-UHFFFAOYSA-N -1 1 275.320 2.542 20 0 CFADMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccn1 ZINC000358969653 381183924 /nfs/dbraw/zinc/18/39/24/381183924.db2.gz IUEHVIJYGKVJQD-UHFFFAOYSA-N -1 1 298.751 2.544 20 0 CFADMM CC[C@@](C)(OC)c1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000290017995 381263968 /nfs/dbraw/zinc/26/39/68/381263968.db2.gz DXQZUSSQZBQJJO-CQSZACIVSA-N -1 1 288.307 2.991 20 0 CFADMM O=c1[n-]c(CN[C@@H](c2cccc(F)c2)C2CCCC2)n[nH]1 ZINC000342234788 381228271 /nfs/dbraw/zinc/22/82/71/381228271.db2.gz SPPJAKLFFUVVSH-CQSZACIVSA-N -1 1 290.342 2.671 20 0 CFADMM C[C@H](CC(F)F)C(=O)Nc1ccc([O-])c(F)c1F ZINC000412402974 381288253 /nfs/dbraw/zinc/28/82/53/381288253.db2.gz OTMWCHOISHTPCJ-RXMQYKEDSA-N -1 1 265.206 2.900 20 0 CFADMM Cc1ncc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)s1 ZINC000354452772 381277424 /nfs/dbraw/zinc/27/74/24/381277424.db2.gz VUSOOHIPZGIBEU-UHFFFAOYSA-N -1 1 290.373 2.577 20 0 CFADMM COCC[C@H](C)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000412471072 381311411 /nfs/dbraw/zinc/31/14/11/381311411.db2.gz 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/nfs/dbraw/zinc/65/61/98/381656198.db2.gz REJJRRNHDWOAIW-UHFFFAOYSA-N -1 1 294.283 2.574 20 0 CFADMM CCC1(C)CN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000291139749 381680340 /nfs/dbraw/zinc/68/03/40/381680340.db2.gz XHGAICXRYQVQGW-UHFFFAOYSA-N -1 1 255.264 2.543 20 0 CFADMM C[C@@H](CCC(C)(C)C)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000349109698 381825683 /nfs/dbraw/zinc/82/56/83/381825683.db2.gz NORZSXQPINFGII-NSHDSACASA-N -1 1 293.415 2.548 20 0 CFADMM CCN(C(=O)c1cc(F)ccc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000292619500 381811837 /nfs/dbraw/zinc/81/18/37/381811837.db2.gz JCYSFJYVONYWKA-GFCCVEGCSA-N -1 1 295.354 2.951 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)[C@@H]2CCCC[C@H]2CC)[n-]1 ZINC000415635242 381864511 /nfs/dbraw/zinc/86/45/11/381864511.db2.gz CKIBRAWFYXDMAB-GHMZBOCLSA-N -1 1 293.367 2.741 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CCCC[C@H]2CC)n1 ZINC000415635242 381864516 /nfs/dbraw/zinc/86/45/16/381864516.db2.gz CKIBRAWFYXDMAB-GHMZBOCLSA-N -1 1 293.367 2.741 20 0 CFADMM CCc1cc(=O)[n-]c(SCCOCC2CCC2)n1 ZINC000416913682 381968009 /nfs/dbraw/zinc/96/80/09/381968009.db2.gz VXDDTYRBDJRZEO-UHFFFAOYSA-N -1 1 268.382 2.653 20 0 CFADMM Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCCC3(CCC3)C2)n1 ZINC000373431604 382003167 /nfs/dbraw/zinc/00/31/67/382003167.db2.gz MKMXWWAWDRRCBU-GFCCVEGCSA-N -1 1 261.369 2.818 20 0 CFADMM O=C([N-]CCCCOc1ccc(F)cc1)C(F)(F)F ZINC000299643894 382013291 /nfs/dbraw/zinc/01/32/91/382013291.db2.gz KYUYTZXTRWWJSZ-UHFFFAOYSA-N -1 1 279.233 2.663 20 0 CFADMM CCOc1cc(C(=O)N[C@@H](C)CC(C)=O)cc(Cl)c1[O-] ZINC000186912615 382044662 /nfs/dbraw/zinc/04/46/62/382044662.db2.gz NEZRDQNZRYBRNQ-QMMMGPOBSA-N -1 1 299.754 2.542 20 0 CFADMM Oc1cc(F)cc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000351993505 382112295 /nfs/dbraw/zinc/11/22/95/382112295.db2.gz AKYBAZPOZIKPMT-INIZCTEOSA-N -1 1 288.322 2.580 20 0 CFADMM CC(C)Cc1ccc(/C=C/c2cc(=O)n3[n-]cnc3n2)cc1 ZINC000352025288 382137639 /nfs/dbraw/zinc/13/76/39/382137639.db2.gz DYFKFKXIJVFAKK-BQYQJAHWSA-N -1 1 294.358 2.787 20 0 CFADMM O=C(NCC1CC(F)(F)C1)c1ccc(Cl)cc1[O-] ZINC000293549052 382170607 /nfs/dbraw/zinc/17/06/07/382170607.db2.gz BVPMFOQTHPLIII-UHFFFAOYSA-N -1 1 275.682 2.821 20 0 CFADMM C[C@]1(C(=O)[N-]OCC(F)(F)F)[C@@H]2Cc3ccccc3[C@@H]21 ZINC000376950555 382195005 /nfs/dbraw/zinc/19/50/05/382195005.db2.gz VJRKTJCUMUTIFO-MDZLAQPJSA-N -1 1 285.265 2.573 20 0 CFADMM COC(=O)c1cnc(S[C@H](C)C(=O)c2ccccc2)[n-]1 ZINC000187591733 382220093 /nfs/dbraw/zinc/22/00/93/382220093.db2.gz NLKJSMIYODMRQR-SECBINFHSA-N -1 1 290.344 2.560 20 0 CFADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)c2ccccc2)n1 ZINC000187591733 382220102 /nfs/dbraw/zinc/22/01/02/382220102.db2.gz NLKJSMIYODMRQR-SECBINFHSA-N -1 1 290.344 2.560 20 0 CFADMM CCc1nc(C)c(CNC(=O)c2cc(Cl)ccc2[O-])o1 ZINC000293675081 382228752 /nfs/dbraw/zinc/22/87/52/382228752.db2.gz MUYFVQGSCRBOGT-UHFFFAOYSA-N -1 1 294.738 2.834 20 0 CFADMM Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(O)cc(F)c3)C2)no1 ZINC000364219341 382285169 /nfs/dbraw/zinc/28/51/69/382285169.db2.gz DTVCGNJEJMYGJZ-GFCCVEGCSA-N -1 1 291.326 2.602 20 0 CFADMM CCc1ocnc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000352423712 382325002 /nfs/dbraw/zinc/32/50/02/382325002.db2.gz ONDPLSORGPKEGK-UHFFFAOYSA-N -1 1 298.302 2.585 20 0 CFADMM CCc1cc(=O)[n-]c(SCCOc2ccc(F)cc2)n1 ZINC000188086179 382341416 /nfs/dbraw/zinc/34/14/16/382341416.db2.gz KBKIWXAVNTXRMQ-UHFFFAOYSA-N -1 1 294.351 2.643 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N(C)CC3CCCC3)cnc2n1 ZINC000303006798 382349133 /nfs/dbraw/zinc/34/91/33/382349133.db2.gz PQPLFUKKZWCTQL-UHFFFAOYSA-N -1 1 299.374 2.906 20 0 CFADMM Cc1ccc2c(=O)c(C(=O)N(C)CC3CCCC3)c[n-]c2n1 ZINC000303006798 382349139 /nfs/dbraw/zinc/34/91/39/382349139.db2.gz PQPLFUKKZWCTQL-UHFFFAOYSA-N -1 1 299.374 2.906 20 0 CFADMM CC(=O)CCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000188145257 382355367 /nfs/dbraw/zinc/35/53/67/382355367.db2.gz XLIQTKAONMLBPQ-UHFFFAOYSA-N -1 1 252.339 2.521 20 0 CFADMM CCc1cc(=O)[n-]c(SCc2nc3ccccc3o2)n1 ZINC000188110486 382346782 /nfs/dbraw/zinc/34/67/82/382346782.db2.gz AQOVIFYIYIJDGA-UHFFFAOYSA-N -1 1 287.344 2.766 20 0 CFADMM O=C(C[C@@H]1C=CCCC1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000188555150 382435146 /nfs/dbraw/zinc/43/51/46/382435146.db2.gz VXADZLDGRMWWIW-SSDOTTSWSA-N -1 1 274.246 2.508 20 0 CFADMM O=C(Nc1cnccc1CO)c1ccc2ccccc2c1[O-] ZINC000305839125 382448780 /nfs/dbraw/zinc/44/87/80/382448780.db2.gz QSNRFLPWHRUSKO-UHFFFAOYSA-N -1 1 294.310 2.685 20 0 CFADMM FC(F)(F)OCCN=c1[n-]c(C(F)(F)F)cs1 ZINC000352583024 382404688 /nfs/dbraw/zinc/40/46/88/382404688.db2.gz GHVDJRYHFWXBTI-UHFFFAOYSA-N -1 1 280.193 2.532 20 0 CFADMM C(CN1CCCC1)N=c1nc(C2CCCCC2)[n-]s1 ZINC000420579849 382410109 /nfs/dbraw/zinc/41/01/09/382410109.db2.gz FXXWOSMHAXGCCY-UHFFFAOYSA-N -1 1 280.441 2.515 20 0 CFADMM CO[C@H](C)c1nc(=NC[C@H]2CC23CCSCC3)s[n-]1 ZINC000420655064 382447317 /nfs/dbraw/zinc/44/73/17/382447317.db2.gz QXEKKCLHECYPQA-NXEZZACHSA-N -1 1 299.465 2.613 20 0 CFADMM CCCc1cc(=O)[n-]c(SCC[C@@H]2CCCO2)n1 ZINC000188743597 382468664 /nfs/dbraw/zinc/46/86/64/382468664.db2.gz RYFHHQDZPVCLIA-NSHDSACASA-N -1 1 268.382 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CC1(C)CN(C(=O)c2ccc([O-])cc2F)CC(C)(C)O1 ZINC000188982055 382517053 /nfs/dbraw/zinc/51/70/53/382517053.db2.gz ZFABRQWFEWAYQF-UHFFFAOYSA-N -1 1 281.327 2.561 20 0 CFADMM CC/C=C\CNC(=O)c1ccc(Br)c([O-])c1 ZINC000385068673 382565702 /nfs/dbraw/zinc/56/57/02/382565702.db2.gz VMKWZSQKPOGXEZ-ARJAWSKDSA-N -1 1 284.153 2.851 20 0 CFADMM COc1cccc(CN2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000317156640 382530074 /nfs/dbraw/zinc/53/00/74/382530074.db2.gz XQRIYXRKECLIHG-UHFFFAOYSA-N -1 1 297.354 2.952 20 0 CFADMM CC(C)OC(=O)[C@@H](C)N(C)Cc1cccc([O-])c1Cl ZINC000295276808 382605312 /nfs/dbraw/zinc/60/53/12/382605312.db2.gz IBXLWEZQGACZMF-SNVBAGLBSA-N -1 1 285.771 2.818 20 0 CFADMM COC1(CCNC(=O)c2cc(Cl)ccc2[O-])CCC1 ZINC000389442424 382614274 /nfs/dbraw/zinc/61/42/74/382614274.db2.gz UCTXIYWFKQTOTQ-UHFFFAOYSA-N -1 1 283.755 2.735 20 0 CFADMM Cc1nnc(CNC(=O)c2ccc3ccccc3c2[O-])s1 ZINC000392129603 382621884 /nfs/dbraw/zinc/62/18/84/382621884.db2.gz KNHRNQPGRPPHFJ-UHFFFAOYSA-N -1 1 299.355 2.635 20 0 CFADMM 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/nfs/dbraw/zinc/64/93/42/393649342.db2.gz KNZJGCDSWAJUOG-KCJUWKMLSA-N -1 1 291.738 2.678 20 0 CFADMM Cc1nc(CNC(=O)c2cc(F)ccc2[O-])sc1C ZINC000080034068 393722973 /nfs/dbraw/zinc/72/29/73/393722973.db2.gz HDAUDLMWULVYOM-UHFFFAOYSA-N -1 1 280.324 2.535 20 0 CFADMM CN(Cc1ccc(O)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000080002747 393722987 /nfs/dbraw/zinc/72/29/87/393722987.db2.gz SLLNJSPSBQUAMM-UHFFFAOYSA-N -1 1 275.279 2.509 20 0 CFADMM CCc1onc(C)c1[N-]C(=O)c1cc(-c2ccncc2)on1 ZINC000089400150 393766851 /nfs/dbraw/zinc/76/68/51/393766851.db2.gz KUQVHVAWRMYUDW-UHFFFAOYSA-N -1 1 298.302 2.848 20 0 CFADMM O=C(N[C@@H]1CCc2ccccc2C1)c1c([O-])cccc1F ZINC000228838101 393776147 /nfs/dbraw/zinc/77/61/47/393776147.db2.gz KRYGOQMXGQPYJI-CYBMUJFWSA-N -1 1 285.318 2.819 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCc2cccc(F)c2C1 ZINC000092569021 393788307 /nfs/dbraw/zinc/78/83/07/393788307.db2.gz MVRMAQLEABNMMA-UHFFFAOYSA-N -1 1 289.281 2.869 20 0 CFADMM CN(C(=O)c1cc(F)ccc1[O-])c1ccc2c(c1)OCO2 ZINC000093247366 393797612 /nfs/dbraw/zinc/79/76/12/393797612.db2.gz CWRAFCOTFHSKQV-UHFFFAOYSA-N -1 1 289.262 2.537 20 0 CFADMM C[C@H]1CCCN(Cc2scnc2C2CC2)[C@H]1C(=O)[O-] ZINC000424421330 393846240 /nfs/dbraw/zinc/84/62/40/393846240.db2.gz RWJRAEJVOXVTDO-TVQRCGJNSA-N -1 1 280.393 2.706 20 0 CFADMM O=C(NC[C@@H]1CC12CC2)c1cc(Cl)ccc1[O-] ZINC000416062024 393859007 /nfs/dbraw/zinc/85/90/07/393859007.db2.gz NSNKRQRSYYBYCB-QMMMGPOBSA-N -1 1 251.713 2.576 20 0 CFADMM Cc1ccc(CS(=O)(=O)[N-]C(C)(C)C(F)F)c(F)c1 ZINC000684598353 542834357 /nfs/dbraw/zinc/83/43/57/542834357.db2.gz WEGRVZSHAYOMDY-UHFFFAOYSA-N -1 1 295.326 2.597 20 0 CFADMM O=S(=O)([N-][C@H]1CCC[C@@H]2C[C@@H]21)c1sccc1Cl ZINC000416552225 393927007 /nfs/dbraw/zinc/92/70/07/393927007.db2.gz AYMWYCAFJLVHFH-WEDXCCLWSA-N -1 1 291.825 2.868 20 0 CFADMM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000416557466 393927787 /nfs/dbraw/zinc/92/77/87/393927787.db2.gz ZMHOZRUOSXDVSY-IONNQARKSA-N -1 1 279.814 2.724 20 0 CFADMM C[C@@]1([N-]S(=O)(=O)c2cccc(F)c2F)CC=CCC1 ZINC000416562287 393929191 /nfs/dbraw/zinc/92/91/91/393929191.db2.gz WLFWWLDNEIOSCM-CYBMUJFWSA-N -1 1 287.331 2.742 20 0 CFADMM COc1cc(CNC(=O)c2c([O-])cccc2F)ccc1C ZINC000120603826 393936702 /nfs/dbraw/zinc/93/67/02/393936702.db2.gz QEVHCLKPCMEVNE-UHFFFAOYSA-N -1 1 289.306 2.778 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CCCc2n[nH]cc21 ZINC000436795051 394022153 /nfs/dbraw/zinc/02/21/53/394022153.db2.gz PZADTILGZQQABO-UHFFFAOYSA-N -1 1 293.326 2.862 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cn1 ZINC000121304872 393953909 /nfs/dbraw/zinc/95/39/09/393953909.db2.gz XTNUWOZXZXYKNB-UHFFFAOYSA-N -1 1 276.361 2.808 20 0 CFADMM CC(C)[C@@](C)(CO)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436809991 394022946 /nfs/dbraw/zinc/02/29/46/394022946.db2.gz QIBQPZUVIPOEAK-QGZVFWFLSA-N -1 1 287.359 2.682 20 0 CFADMM Cc1ncc(NC(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000486925472 393971634 /nfs/dbraw/zinc/97/16/34/393971634.db2.gz GBWKLAZHLAZZCD-UHFFFAOYSA-N -1 1 278.699 2.788 20 0 CFADMM COC(=O)c1cncnc1/C=C\c1ccc([O-])c(Cl)c1 ZINC000436817991 394023793 /nfs/dbraw/zinc/02/37/93/394023793.db2.gz TWDHOOIUCMTBCN-RQOWECAXSA-N -1 1 290.706 2.793 20 0 CFADMM C[C@](O)(C(=O)Nc1ccc([O-])c(Cl)c1)C1CCC1 ZINC000486984444 393978521 /nfs/dbraw/zinc/97/85/21/393978521.db2.gz FKOWCLQPVOHXTR-CYBMUJFWSA-N -1 1 269.728 2.535 20 0 CFADMM COC[C@H](NCc1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC000417623320 393985823 /nfs/dbraw/zinc/98/58/23/393985823.db2.gz JKMHJWNQEUSOAM-ZDUSSCGKSA-N -1 1 291.372 2.604 20 0 CFADMM CC(C)Oc1ccc(NC(=O)c2ccccc2[O-])cn1 ZINC000436827631 394025373 /nfs/dbraw/zinc/02/53/73/394025373.db2.gz UTWQIRQAKVBFLK-UHFFFAOYSA-N -1 1 272.304 2.827 20 0 CFADMM [O-]c1ccc(-c2noc(/C=C/[C@H]3CCCO3)n2)cc1F ZINC000351328984 393992119 /nfs/dbraw/zinc/99/21/19/393992119.db2.gz RHMBLCQNSLRNBC-DFVUYQKZSA-N -1 1 276.267 2.774 20 0 CFADMM COCC1(CCNC(=O)c2ccc(Cl)cc2[O-])CCC1 ZINC000436971141 394039716 /nfs/dbraw/zinc/03/97/16/394039716.db2.gz HITZCQFXEATPBW-UHFFFAOYSA-N -1 1 297.782 2.982 20 0 CFADMM CC[C@H](CC(F)(F)F)NC(=O)c1ccc([O-])cc1F ZINC000436984589 394040678 /nfs/dbraw/zinc/04/06/78/394040678.db2.gz ZQYNNCGQJQIZDO-SSDOTTSWSA-N -1 1 279.233 2.992 20 0 CFADMM CCCCOc1ccc(C(=O)N2CCCCO2)c([O-])c1 ZINC000436978172 394040697 /nfs/dbraw/zinc/04/06/97/394040697.db2.gz GIKVGCRLPYRHHB-UHFFFAOYSA-N -1 1 279.336 2.739 20 0 CFADMM CC(C)O[C@H]1C[C@H](NC(=O)c2c([O-])cccc2F)C1(C)C ZINC000436990076 394041878 /nfs/dbraw/zinc/04/18/78/394041878.db2.gz QMTMGILIFPXCND-STQMWFEESA-N -1 1 295.354 2.853 20 0 CFADMM O=C(NCCc1cc(F)ccc1F)c1c([O-])cccc1F ZINC000127835990 394057586 /nfs/dbraw/zinc/05/75/86/394057586.db2.gz BQHMTQHPVKDGGL-UHFFFAOYSA-N -1 1 295.260 2.782 20 0 CFADMM CC(C)[C@H](O)Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278086407 394059985 /nfs/dbraw/zinc/05/99/85/394059985.db2.gz GTHVXMFKPHQFBI-LLVKDONJSA-N -1 1 282.727 2.655 20 0 CFADMM CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc([O-])c2F)c1C ZINC000128463261 394071049 /nfs/dbraw/zinc/07/10/49/394071049.db2.gz PJLQXTRSJWYZTP-UHFFFAOYSA-N -1 1 290.294 2.931 20 0 CFADMM COCCc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1 ZINC000438776382 394081176 /nfs/dbraw/zinc/08/11/76/394081176.db2.gz VIJYBWWZAKSLSK-UHFFFAOYSA-N -1 1 297.401 2.738 20 0 CFADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1 ZINC000438803259 394082415 /nfs/dbraw/zinc/08/24/15/394082415.db2.gz FWASHVUBCJQUSF-UHFFFAOYSA-N -1 1 265.309 2.935 20 0 CFADMM O=C(NC1(CCO)CCCC1)c1cc2ccccc2cc1[O-] ZINC000436846141 394028856 /nfs/dbraw/zinc/02/88/56/394028856.db2.gz GEXQUNMTIJJQCT-UHFFFAOYSA-N -1 1 299.370 2.970 20 0 CFADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)C1CCCCC1 ZINC000436905755 394034282 /nfs/dbraw/zinc/03/42/82/394034282.db2.gz ORRYVGUZHBWWML-LLVKDONJSA-N -1 1 275.348 2.660 20 0 CFADMM O=C(N[C@H]1C=CCCC1)c1cc(Br)ccc1[O-] ZINC000436922263 394034760 /nfs/dbraw/zinc/03/47/60/394034760.db2.gz MIBQEQOXKLMZSK-JTQLQIEISA-N -1 1 296.164 2.993 20 0 CFADMM CN(C(=O)c1ccc2ccccc2c1[O-])c1ccn(C)n1 ZINC000436925166 394035222 /nfs/dbraw/zinc/03/52/22/394035222.db2.gz IVGYRFHDAQRVTK-UHFFFAOYSA-N -1 1 281.315 2.556 20 0 CFADMM Cc1cc(O)ccc1-c1nc(=O)c2sccc2[n-]1 ZINC000436924205 394035291 /nfs/dbraw/zinc/03/52/91/394035291.db2.gz WAQIJMIYMHFIET-UHFFFAOYSA-N -1 1 258.302 2.666 20 0 CFADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(F)c1 ZINC000421138897 394176902 /nfs/dbraw/zinc/17/69/02/394176902.db2.gz JCBZADPMZRDYGX-CYBMUJFWSA-N -1 1 289.372 2.629 20 0 CFADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1F ZINC000421141130 394177025 /nfs/dbraw/zinc/17/70/25/394177025.db2.gz ONMJNGACBKBMGI-LLVKDONJSA-N -1 1 289.372 2.629 20 0 CFADMM O=C(Nc1ccncc1[O-])c1ccc(Cl)c(F)c1 ZINC000130243136 394106400 /nfs/dbraw/zinc/10/64/00/394106400.db2.gz LTFPTIKGUZMXLR-UHFFFAOYSA-N -1 1 266.659 2.832 20 0 CFADMM CCCc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)[nH]n1 ZINC000135008592 394208278 /nfs/dbraw/zinc/20/82/78/394208278.db2.gz YIPFFYQIFSADHQ-UHFFFAOYSA-N -1 1 299.783 2.816 20 0 CFADMM COc1cc(C(=O)N2CCC[C@H]2C)cc(Cl)c1[O-] ZINC000135153045 394211959 /nfs/dbraw/zinc/21/19/59/394211959.db2.gz QOLPCZMJCCZUBZ-MRVPVSSYSA-N -1 1 269.728 2.679 20 0 CFADMM O=C(Nc1cccc(OCCF)c1)c1ccccc1[O-] ZINC000150924797 394257063 /nfs/dbraw/zinc/25/70/63/394257063.db2.gz GWAJVIXVJUFEQL-UHFFFAOYSA-N -1 1 275.279 2.993 20 0 CFADMM O=C(N[C@H]1CCCSC1)c1cc(Cl)ccc1[O-] ZINC000135647517 394224447 /nfs/dbraw/zinc/22/44/47/394224447.db2.gz WCRSUAMJNLXRTN-VIFPVBQESA-N -1 1 271.769 2.671 20 0 CFADMM CC(=O)Nc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000148996717 394248237 /nfs/dbraw/zinc/24/82/37/394248237.db2.gz YCQMQNJKADLELX-UHFFFAOYSA-N -1 1 288.278 2.742 20 0 CFADMM Cc1ccc(CNC(=O)c2cc(F)ccc2[O-])cc1 ZINC000149004495 394248270 /nfs/dbraw/zinc/24/82/70/394248270.db2.gz OSDXXPRLQMRDMY-UHFFFAOYSA-N -1 1 259.280 2.770 20 0 CFADMM COc1cc(C(=O)N(C)CC2CC2)cc(Cl)c1[O-] ZINC000153613571 394287069 /nfs/dbraw/zinc/28/70/69/394287069.db2.gz BAUMFGVESDPMNY-UHFFFAOYSA-N -1 1 269.728 2.536 20 0 CFADMM CC[C@H]1CCCC[C@H]1CN=c1nc(COC)[n-]s1 ZINC000450618107 394300409 /nfs/dbraw/zinc/30/04/09/394300409.db2.gz DPIIZRKIFLGCOE-QWRGUYRKSA-N -1 1 269.414 2.735 20 0 CFADMM C[C@@]1(F)CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000295581755 394301116 /nfs/dbraw/zinc/30/11/16/394301116.db2.gz NJSGZNASGMWUJI-CYBMUJFWSA-N -1 1 273.254 2.635 20 0 CFADMM CCCC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450694835 394319200 /nfs/dbraw/zinc/31/92/00/394319200.db2.gz HROJPNBWXHPZFV-UHFFFAOYSA-N -1 1 280.715 2.569 20 0 CFADMM CCCC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450694835 394319201 /nfs/dbraw/zinc/31/92/01/394319201.db2.gz HROJPNBWXHPZFV-UHFFFAOYSA-N -1 1 280.715 2.569 20 0 CFADMM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000451173286 394364518 /nfs/dbraw/zinc/36/45/18/394364518.db2.gz RGFMCGFFYDQPDU-IONNQARKSA-N -1 1 279.814 2.868 20 0 CFADMM CC(C)c1nc(=NC[C@@H]2CCN2C2CCCC2)s[n-]1 ZINC000528205808 394402296 /nfs/dbraw/zinc/40/22/96/394402296.db2.gz AFKHEJJIEPFSQX-LBPRGKRZSA-N -1 1 280.441 2.512 20 0 CFADMM Cc1ccc(CN(C)C(=O)c2c(F)ccc([O-])c2F)nc1 ZINC000685483214 542923329 /nfs/dbraw/zinc/92/33/29/542923329.db2.gz PZHPFPFYBVVEAP-UHFFFAOYSA-N -1 1 292.285 2.646 20 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297.358 2.512 20 0 CFADMM O=C([O-])C[C@@H]1CCCN1Cc1cccnc1C(F)(F)F ZINC000530164955 394465282 /nfs/dbraw/zinc/46/52/82/394465282.db2.gz GAUDABPKFPZQSK-JTQLQIEISA-N -1 1 288.269 2.540 20 0 CFADMM CC(C)COCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530171599 394467166 /nfs/dbraw/zinc/46/71/66/394467166.db2.gz XOBLYRKFKJWPAA-UHFFFAOYSA-N -1 1 295.354 2.555 20 0 CFADMM Cc1oc(CN2CCC(F)(F)C[C@@H]2C)cc1C(=O)[O-] ZINC000530171571 394467230 /nfs/dbraw/zinc/46/72/30/394467230.db2.gz CBLOAIVVSRBPQP-QMMMGPOBSA-N -1 1 273.279 2.906 20 0 CFADMM CCc1oc(C(=O)[O-])cc1CN1CCC(F)(F)CC1 ZINC000530172397 394468445 /nfs/dbraw/zinc/46/84/45/394468445.db2.gz LNMOJVUSSZUZDH-UHFFFAOYSA-N -1 1 273.279 2.771 20 0 CFADMM Cc1cc(CN2CCC(F)(F)C[C@@H]2C)oc1C(=O)[O-] ZINC000530173944 394469838 /nfs/dbraw/zinc/46/98/38/394469838.db2.gz SJJULZOJCUWZMK-VIFPVBQESA-N -1 1 273.279 2.906 20 0 CFADMM Cc1occc1[S@](=O)C=C([O-])c1cc(C)n(C)c1C ZINC000530352272 394507203 /nfs/dbraw/zinc/50/72/03/394507203.db2.gz OBJQCVSOAWYINR-LJQANCHMSA-N -1 1 279.361 2.534 20 0 CFADMM CC(C)c1nn(C)cc1C(=O)Nc1cccc(F)c1[O-] ZINC000530005571 394441917 /nfs/dbraw/zinc/44/19/17/394441917.db2.gz IXRPKPBGFWVNAK-UHFFFAOYSA-N -1 1 277.299 2.641 20 0 CFADMM CC(C)c1nocc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000528047606 394442393 /nfs/dbraw/zinc/44/23/93/394442393.db2.gz OPWFOTQTJFLLEP-UHFFFAOYSA-N -1 1 278.337 2.779 20 0 CFADMM CCC[C@@H](CN=c1nc(C(F)(F)F)[n-]s1)OCC ZINC000528087281 394445657 /nfs/dbraw/zinc/44/56/57/394445657.db2.gz UDVSBXXUCVTPDT-ZETCQYMHSA-N -1 1 283.319 2.596 20 0 CFADMM COc1ccc(N(C)C(=O)c2ccccc2[O-])cc1OC ZINC000537638043 394589586 /nfs/dbraw/zinc/58/95/86/394589586.db2.gz GFSGBXABNXUJRG-UHFFFAOYSA-N -1 1 287.315 2.686 20 0 CFADMM CCO[C@@H](CC)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000540959895 394659209 /nfs/dbraw/zinc/65/92/09/394659209.db2.gz XHGPFKDKFBFRAA-NSHDSACASA-N -1 1 257.717 2.799 20 0 CFADMM CC[N@H+]1CCCN(C(=O)c2cc(O)c3ccccc3c2)CC1 ZINC000280899581 542941681 /nfs/dbraw/zinc/94/16/81/542941681.db2.gz MSVPZYXXWRACDU-UHFFFAOYSA-N -1 1 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270247086 /nfs/dbraw/zinc/24/70/86/270247086.db2.gz AJCGEANRLDVIDV-UHFFFAOYSA-N -1 1 285.307 2.570 20 0 CFADMM [O-]c1ccc(-c2nc(Cc3ccncc3)no2)c(F)c1 ZINC000230228784 270259422 /nfs/dbraw/zinc/25/94/22/270259422.db2.gz MBLJFFMYNBPSQT-UHFFFAOYSA-N -1 1 271.251 2.567 20 0 CFADMM [O-]c1ccc(-c2noc(-c3ccccc3O)n2)cc1F ZINC000236584133 270262301 /nfs/dbraw/zinc/26/23/01/270262301.db2.gz DUTCAGHNWPFMQK-UHFFFAOYSA-N -1 1 272.235 2.954 20 0 CFADMM [O-]c1ccc(-c2noc(Cc3cccc(O)c3)n2)cc1F ZINC000236634112 270262656 /nfs/dbraw/zinc/26/26/56/270262656.db2.gz QPZHHFFXHGBVGM-UHFFFAOYSA-N -1 1 286.262 2.878 20 0 CFADMM C[C@@H](CCCO)CNC(=O)c1ccc2ccccc2c1[O-] ZINC000394999951 270310914 /nfs/dbraw/zinc/31/09/14/270310914.db2.gz GPSNMHQTPCHGQK-LBPRGKRZSA-N -1 1 287.359 2.684 20 0 CFADMM CC(C)[C@]1(C)C[C@H]1NC(=O)c1c([O-])cccc1F ZINC000397114306 270315804 /nfs/dbraw/zinc/31/58/04/270315804.db2.gz FTAWLYQMAZHXAB-RISCZKNCSA-N -1 1 251.301 2.696 20 0 CFADMM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1c([O-])cccc1F 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CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCOC2(CCC2)C1 ZINC000134146907 280199593 /nfs/dbraw/zinc/19/95/93/280199593.db2.gz ZXDCHSZDFAZSKN-UHFFFAOYSA-N -1 1 297.354 2.941 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000109940666 280231496 /nfs/dbraw/zinc/23/14/96/280231496.db2.gz KZLBUUJJJSNHTQ-HNNXBMFYSA-N -1 1 286.306 2.904 20 0 CFADMM CC[C@@H]1CCCCCN1C(=O)c1ncc(C)cc1[O-] ZINC000408371032 280238241 /nfs/dbraw/zinc/23/82/41/280238241.db2.gz TULWEBDPISRNOJ-GFCCVEGCSA-N -1 1 262.353 2.890 20 0 CFADMM C[C@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000068840891 280477864 /nfs/dbraw/zinc/47/78/64/280477864.db2.gz CDJSWGUQRNYPSC-NSHDSACASA-N -1 1 285.347 2.598 20 0 CFADMM Cc1cccnc1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000071345329 280486477 /nfs/dbraw/zinc/48/64/77/280486477.db2.gz ACENNMAAZZKZSB-UHFFFAOYSA-N -1 1 276.723 2.679 20 0 CFADMM Cc1nc(NC(=O)c2cc(F)ccc2[O-])sc1C ZINC000081966072 280546247 /nfs/dbraw/zinc/54/62/47/280546247.db2.gz XLTZRGOWBJPHLM-UHFFFAOYSA-N -1 1 266.297 2.857 20 0 CFADMM O=S(=O)([N-][C@@H]1C=CCCC1)c1cc2ccccc2o1 ZINC000127785900 280667983 /nfs/dbraw/zinc/66/79/83/280667983.db2.gz KVOIPVCHKWIWJW-GFCCVEGCSA-N -1 1 277.345 2.820 20 0 CFADMM CC(C)[C@@H](CCO)NC(=O)c1ccc2ccccc2c1[O-] ZINC000133226834 280741685 /nfs/dbraw/zinc/74/16/85/280741685.db2.gz WTEGCWRLSCWVPI-OAHLLOKOSA-N -1 1 287.359 2.682 20 0 CFADMM O=S(=O)([N-]CCCF)c1cc(Cl)sc1Cl ZINC000134505881 280759791 /nfs/dbraw/zinc/75/97/91/280759791.db2.gz SMWRJABZKQHRDS-UHFFFAOYSA-N -1 1 292.184 2.693 20 0 CFADMM Cc1nsc(NC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000135390748 280772118 /nfs/dbraw/zinc/77/21/18/280772118.db2.gz SDPHFJLNQOWLIN-UHFFFAOYSA-N -1 1 285.328 2.958 20 0 CFADMM O=C(Nc1nc2ccccc2[nH]1)c1cc(F)ccc1[O-] ZINC000148996955 280793435 /nfs/dbraw/zinc/79/34/35/280793435.db2.gz PDKLLLUZSVSRIA-UHFFFAOYSA-N -1 1 271.251 2.660 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCCc2cccc(O)c21 ZINC000182947549 280820561 /nfs/dbraw/zinc/82/05/61/280820561.db2.gz JEJFSDLBXJDPBX-UHFFFAOYSA-N -1 1 287.290 2.830 20 0 CFADMM O=C(Nc1ccsc1Cl)c1cncc([O-])c1 ZINC000190094640 280885158 /nfs/dbraw/zinc/88/51/58/280885158.db2.gz PYTXBXCRQVEMRE-UHFFFAOYSA-N -1 1 254.698 2.754 20 0 CFADMM C[C@H](O)[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000305233266 281152756 /nfs/dbraw/zinc/15/27/56/281152756.db2.gz MRXSNKYRQYUZTD-GXTWGEPZSA-N -1 1 299.370 2.778 20 0 CFADMM CC[C@@H](NC(=O)c1ccc2ccccc2c1[O-])C(C)(C)O ZINC000394010581 281193711 /nfs/dbraw/zinc/19/37/11/281193711.db2.gz ZEOSKKXZCVCHEI-CQSZACIVSA-N -1 1 287.359 2.825 20 0 CFADMM CSC1(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)CCC1 ZINC000429106161 281232191 /nfs/dbraw/zinc/23/21/91/281232191.db2.gz KXENLXNYZBFHKJ-UHFFFAOYSA-N -1 1 293.417 2.784 20 0 CFADMM CCC(CC)(CO)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000519558325 281309114 /nfs/dbraw/zinc/30/91/14/281309114.db2.gz UKHRQEDRISJEBX-UHFFFAOYSA-N -1 1 271.744 2.783 20 0 CFADMM C[C@@H]1COCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000334203887 288333267 /nfs/dbraw/zinc/33/32/67/288333267.db2.gz RLIFEPQTRAGVLG-LBPRGKRZSA-N -1 1 285.343 2.654 20 0 CFADMM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000553898853 281882392 /nfs/dbraw/zinc/88/23/92/281882392.db2.gz ZQOIBVYPNPHQHL-GFCCVEGCSA-N -1 1 279.361 2.900 20 0 CFADMM C[C@@]1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC=CCC1 ZINC000334664769 289152108 /nfs/dbraw/zinc/15/21/08/289152108.db2.gz AVDBZJSVROVIGD-SNVBAGLBSA-N -1 1 274.246 2.508 20 0 CFADMM C[C@@](CO)(NC(=O)c1c([O-])cccc1F)C1CCCCC1 ZINC000157930208 289966182 /nfs/dbraw/zinc/96/61/82/289966182.db2.gz MMSXNLOXVCFXPV-INIZCTEOSA-N -1 1 295.354 2.592 20 0 CFADMM O=C([O-])C[C@H]1CCCN(Cc2ccn(-c3ccccc3)n2)C1 ZINC000314944310 290019229 /nfs/dbraw/zinc/01/92/29/290019229.db2.gz BKXKWXLQGWNKCV-CQSZACIVSA-N -1 1 299.374 2.559 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(CCO)CC1 ZINC000400929493 290025147 /nfs/dbraw/zinc/02/51/47/290025147.db2.gz KBPDBBAGJGGJFX-UHFFFAOYSA-N -1 1 299.370 2.780 20 0 CFADMM O=C([O-])c1sccc1CN1CCC(F)(F)CC1 ZINC000405008694 290028918 /nfs/dbraw/zinc/02/89/18/290028918.db2.gz AMMKAUVOQUOSGX-UHFFFAOYSA-N -1 1 261.293 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Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cccs1 ZINC000336331574 525474294 /nfs/dbraw/zinc/47/42/94/525474294.db2.gz BEZIWSCQXNHAAS-UHFFFAOYSA-N -1 1 293.320 2.518 20 0 CFADMM C[C@@H]1C[C@H]1CNC(=O)c1ccc(Br)cc1[O-] ZINC000049450327 525486721 /nfs/dbraw/zinc/48/67/21/525486721.db2.gz AIUFPXUMMXJGIN-SFYZADRCSA-N -1 1 284.153 2.541 20 0 CFADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC000050920448 525518858 /nfs/dbraw/zinc/51/88/58/525518858.db2.gz CKKMXNLYTVWOKD-LLVKDONJSA-N -1 1 256.305 2.631 20 0 CFADMM Cc1ccncc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000229353421 525765218 /nfs/dbraw/zinc/76/52/18/525765218.db2.gz KSMPMIVVUOYSLT-UHFFFAOYSA-N -1 1 294.351 2.947 20 0 CFADMM Cc1ccoc1CN[C@@](C)(CCC(C)C)C(=O)[O-] ZINC000340671142 525807009 /nfs/dbraw/zinc/80/70/09/525807009.db2.gz JONDOFOATFAXRG-AWEZNQCLSA-N -1 1 253.342 2.957 20 0 CFADMM Cc1ccsc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000050508131 525859343 /nfs/dbraw/zinc/85/93/43/525859343.db2.gz IYOIZUSEYDLEIE-CYBMUJFWSA-N -1 1 261.346 2.972 20 0 CFADMM COc1cccc(CC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000340326442 525874690 /nfs/dbraw/zinc/87/46/90/525874690.db2.gz DJHPFKWEYAYIFH-UHFFFAOYSA-N -1 1 275.279 2.721 20 0 CFADMM C[C@H](O[N-]C(=O)[C@H]1CCCc2[nH]cnc21)c1ccccc1 ZINC000366290618 525923452 /nfs/dbraw/zinc/92/34/52/525923452.db2.gz VATQVRSBQGQGTG-AAEUAGOBSA-N -1 1 285.347 2.639 20 0 CFADMM Cc1ccc([C@]2(C)CCN(C(=O)c3ncccc3[O-])C2)cc1 ZINC000364413884 526051588 /nfs/dbraw/zinc/05/15/88/526051588.db2.gz OCGLEOPQDARKRY-GOSISDBHSA-N -1 1 296.370 2.899 20 0 CFADMM Cc1cnc([C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)s1 ZINC000335152058 526121994 /nfs/dbraw/zinc/12/19/94/526121994.db2.gz LBSHSMORYYUQNU-SSDOTTSWSA-N -1 1 298.314 2.926 20 0 CFADMM COc1cccc(OCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000340331468 526230116 /nfs/dbraw/zinc/23/01/16/526230116.db2.gz TZGCLZBFEQDTGD-UHFFFAOYSA-N -1 1 291.278 2.557 20 0 CFADMM O=C([O-])[C@@H]1CCCN(Cc2ncc(-c3cccs3)o2)C1 ZINC000164643096 526273245 /nfs/dbraw/zinc/27/32/45/526273245.db2.gz RJYNFNAHNFCFDB-SNVBAGLBSA-N -1 1 292.360 2.700 20 0 CFADMM O=C([O-])[C@H]1CCCN1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159377404 526324868 /nfs/dbraw/zinc/32/48/68/526324868.db2.gz QPAHGSKAYDDSNY-LLVKDONJSA-N -1 1 291.244 2.894 20 0 CFADMM [O-]c1ccc(-c2noc([C@@H]3CCSC3)n2)c(F)c1 ZINC000336179522 526340061 /nfs/dbraw/zinc/34/00/61/526340061.db2.gz MRFXAQOIOYOYAM-SSDOTTSWSA-N -1 1 266.297 2.802 20 0 CFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CC[C@@H](C)C1 ZINC000336177528 526659711 /nfs/dbraw/zinc/65/97/11/526659711.db2.gz FXTJTHDJVLBGRI-KOLCDFICSA-N -1 1 291.395 2.707 20 0 CFADMM Cc1nscc1C(=O)Nc1ccc(F)cc1[O-] ZINC000334831868 526721728 /nfs/dbraw/zinc/72/17/28/526721728.db2.gz HUDMWADVLMEMGX-UHFFFAOYSA-N -1 1 252.270 2.549 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H](F)C1 ZINC000334869484 526733000 /nfs/dbraw/zinc/73/30/00/526733000.db2.gz YGGMEJGGDFMJHI-NSHDSACASA-N -1 1 259.280 2.729 20 0 CFADMM Cc1onc(C2CC2)c1C(=O)Nc1ccc(F)cc1[O-] ZINC000336199407 526856747 /nfs/dbraw/zinc/85/67/47/526856747.db2.gz GHRLELNIRPJNOH-UHFFFAOYSA-N -1 1 276.267 2.957 20 0 CFADMM O=C(c1cncc([O-])c1)N(Cc1ccccc1)CC(F)F ZINC000339903880 526881866 /nfs/dbraw/zinc/88/18/66/526881866.db2.gz ZLJUOVRVLOIPCR-UHFFFAOYSA-N -1 1 292.285 2.695 20 0 CFADMM O=C(CNc1cccc(F)c1)Nc1ccc(F)cc1[O-] ZINC000340330712 526898305 /nfs/dbraw/zinc/89/83/05/526898305.db2.gz VLOPCMXIGJIUAP-UHFFFAOYSA-N -1 1 278.258 2.721 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cnc2ccccc2c1O ZINC000340328265 527213414 /nfs/dbraw/zinc/21/34/14/527213414.db2.gz QTBJSSYMIHMZKX-UHFFFAOYSA-N -1 1 298.273 2.625 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCC[C@H](O)C1 ZINC000336159106 527236303 /nfs/dbraw/zinc/23/63/03/527236303.db2.gz HAOZVDQBQOQXFQ-SCZZXKLOSA-N -1 1 269.728 2.535 20 0 CFADMM O=C(Nc1cccc(Br)c1)c1cncc([O-])c1 ZINC000082335943 527324608 /nfs/dbraw/zinc/32/46/08/527324608.db2.gz YIDVGOVGUQZXAC-UHFFFAOYSA-N -1 1 293.120 2.802 20 0 CFADMM O=C(Nc1ccncc1[O-])c1cc(-c2ccc(F)cc2)on1 ZINC000160755836 527458566 /nfs/dbraw/zinc/45/85/66/527458566.db2.gz HLSRCSUSRPXUTH-UHFFFAOYSA-N -1 1 299.261 2.834 20 0 CFADMM O=C(NCC1CCC1)c1ccc(Br)c([O-])c1 ZINC000228316550 527604595 /nfs/dbraw/zinc/60/45/95/527604595.db2.gz NWSHEYULIIDPNU-UHFFFAOYSA-N -1 1 284.153 2.685 20 0 CFADMM O=C([O-])C[C@@H]1CCCCN1Cc1ccc(F)cc1F ZINC000050885397 527627691 /nfs/dbraw/zinc/62/76/91/527627691.db2.gz WTBCSALPNVRSDQ-LBPRGKRZSA-N -1 1 269.291 2.794 20 0 CFADMM CCO[C@H]1C[C@H](NC(=O)c2cncc([O-])c2)C1(CC)CC ZINC000175454205 528139898 /nfs/dbraw/zinc/13/98/98/528139898.db2.gz OTZDJOIVIYXEDI-KBPBESRZSA-N -1 1 292.379 2.501 20 0 CFADMM CCOC(C)(C)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000159488883 528427007 /nfs/dbraw/zinc/42/70/07/528427007.db2.gz UIJVDYJIDRSVQZ-UHFFFAOYSA-N -1 1 271.744 2.591 20 0 CFADMM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000427248451 528970425 /nfs/dbraw/zinc/97/04/25/528970425.db2.gz GHRNFQAUPLMJIO-LBPRGKRZSA-N -1 1 289.347 2.822 20 0 CFADMM CC(C)Oc1cccc(C(=O)Nc2ccc(F)cc2[O-])n1 ZINC000436513689 535031272 /nfs/dbraw/zinc/03/12/72/535031272.db2.gz MGBWKICSDMXWND-UHFFFAOYSA-N -1 1 290.294 2.966 20 0 CFADMM CO[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)ccc2[O-])C12CCC2 ZINC000456670497 536788813 /nfs/dbraw/zinc/78/88/13/536788813.db2.gz YEITUYMRNZDKQM-ZIAGYGMSSA-N -1 1 293.338 2.561 20 0 CFADMM CC(C)[C@H]1C[C@@H](C(=O)Nc2c([O-])cccc2F)CCO1 ZINC000935098939 649875029 /nfs/dbraw/zinc/87/50/29/649875029.db2.gz GBOWMYQEPRJGSL-GXFFZTMASA-N -1 1 281.327 2.921 20 0 CFADMM CCCCCCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736445539 574053351 /nfs/dbraw/zinc/05/33/51/574053351.db2.gz DOVLRAGYMYUPKG-UHFFFAOYSA-N -1 1 297.362 2.762 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C)nc2)c1 ZINC000744634399 574082617 /nfs/dbraw/zinc/08/26/17/574082617.db2.gz AZPYPDSBFXVQBH-UHFFFAOYSA-N -1 1 299.326 2.698 20 0 CFADMM Cc1cccc(Cl)c1CC(=O)[N-]O[C@H]1CCCCO1 ZINC000754208893 574082828 /nfs/dbraw/zinc/08/28/28/574082828.db2.gz SBGJSYYTEJXCAG-AWEZNQCLSA-N -1 1 283.755 2.765 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)C(C)C)c1 ZINC000745025592 574097758 /nfs/dbraw/zinc/09/77/58/574097758.db2.gz JKPMKNIAGRKWQV-LLVKDONJSA-N -1 1 278.348 2.973 20 0 CFADMM CCCN1Cc2cccc(N[C@H](CC)C(=O)[O-])c2C1 ZINC000737029615 574098624 /nfs/dbraw/zinc/09/86/24/574098624.db2.gz CAYGNRRBHXYHOP-CYBMUJFWSA-N -1 1 262.353 2.687 20 0 CFADMM CCN(CCC(=O)[O-])Cn1cc(-c2ccc(C)cc2)cn1 ZINC000737096029 574110908 /nfs/dbraw/zinc/11/09/08/574110908.db2.gz IIKUUMDNAXXZNG-UHFFFAOYSA-N -1 1 287.363 2.613 20 0 CFADMM O=C(OCC[C@H]1CCCCO1)c1c([O-])cc(F)cc1F ZINC000754800194 574121458 /nfs/dbraw/zinc/12/14/58/574121458.db2.gz MVAGUCVIOBEQBL-SNVBAGLBSA-N -1 1 286.274 2.786 20 0 CFADMM CCC(CC)OC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000754799645 574121675 /nfs/dbraw/zinc/12/16/75/574121675.db2.gz JXQYBLXZEIJWPA-UHFFFAOYSA-N -1 1 299.392 2.794 20 0 CFADMM CCc1ccc([C@@H]2CCCCCN2CC(=O)[O-])o1 ZINC000737258533 574121955 /nfs/dbraw/zinc/12/19/55/574121955.db2.gz HFSPPEMNUBQUGC-LBPRGKRZSA-N -1 1 251.326 2.844 20 0 CFADMM Cc1cccc2c1CC[C@@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000737411251 574139075 /nfs/dbraw/zinc/13/90/75/574139075.db2.gz XUHRBZWQFNSZDT-ZDUSSCGKSA-N -1 1 292.346 2.670 20 0 CFADMM Cc1cccc2c1CC[C@@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000737411251 574139078 /nfs/dbraw/zinc/13/90/78/574139078.db2.gz XUHRBZWQFNSZDT-ZDUSSCGKSA-N -1 1 292.346 2.670 20 0 CFADMM Clc1ccc(NC[C@@H]2CC=CCC2)nc1-c1nnn[n-]1 ZINC000737572941 574148118 /nfs/dbraw/zinc/14/81/18/574148118.db2.gz BTGWQFRLMPSOEQ-SECBINFHSA-N -1 1 290.758 2.683 20 0 CFADMM Clc1ccc(NC[C@@H]2CC=CCC2)nc1-c1nn[n-]n1 ZINC000737572941 574148122 /nfs/dbraw/zinc/14/81/22/574148122.db2.gz BTGWQFRLMPSOEQ-SECBINFHSA-N -1 1 290.758 2.683 20 0 CFADMM CC(C)Oc1cccc(CNC(=O)c2cncc([O-])c2)c1 ZINC000732273034 574148875 /nfs/dbraw/zinc/14/88/75/574148875.db2.gz IYJARDBBRSZQDF-UHFFFAOYSA-N -1 1 286.331 2.504 20 0 CFADMM CCc1nnc([C@@H](C)OC(=O)c2c([O-])cc(F)cc2F)o1 ZINC000732332901 574152184 /nfs/dbraw/zinc/15/21/84/574152184.db2.gz YFMCZOFJBKKZMU-ZCFIWIBFSA-N -1 1 298.245 2.534 20 0 CFADMM C[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccn1 ZINC000738225436 574160452 /nfs/dbraw/zinc/16/04/52/574160452.db2.gz YJRJQXZRJPXVCR-IINYFYTJSA-N -1 1 274.295 2.697 20 0 CFADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@@H]1C1CCC1 ZINC000738290728 574162966 /nfs/dbraw/zinc/16/29/66/574162966.db2.gz VRDIUKZGMKMLMG-LLVKDONJSA-N -1 1 297.786 2.765 20 0 CFADMM c1csc([C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)c1 ZINC000738413269 574167988 /nfs/dbraw/zinc/16/79/88/574167988.db2.gz RRQGAVNEBLXLLK-NSHDSACASA-N -1 1 298.375 2.665 20 0 CFADMM c1csc([C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)c1 ZINC000738413269 574167989 /nfs/dbraw/zinc/16/79/89/574167989.db2.gz RRQGAVNEBLXLLK-NSHDSACASA-N -1 1 298.375 2.665 20 0 CFADMM COC(=O)c1ccc(/C=C/c2ccc([O-])c(F)c2)nc1 ZINC000755588005 574169686 /nfs/dbraw/zinc/16/96/86/574169686.db2.gz MSTBUCBUNWHJHK-GORDUTHDSA-N -1 1 273.263 2.883 20 0 CFADMM O=C(NCc1ccc(O)c(F)c1)c1c([O-])cccc1Cl ZINC000738551716 574172573 /nfs/dbraw/zinc/17/25/73/574172573.db2.gz JKSOPHHHJRRPHI-UHFFFAOYSA-N -1 1 295.697 2.820 20 0 CFADMM O=C([O-])CC1CCN(Cn2ccc(-c3ccccc3)n2)CC1 ZINC000738564283 574173355 /nfs/dbraw/zinc/17/33/55/574173355.db2.gz MCGKKBPEKGHIIJ-UHFFFAOYSA-N -1 1 299.374 2.694 20 0 CFADMM Cc1ccc2nc(CNCc3ccc(C(=O)[O-])cc3)cn2c1 ZINC000738677110 574179512 /nfs/dbraw/zinc/17/95/12/574179512.db2.gz KPRHSDDMFUZOHP-UHFFFAOYSA-N -1 1 295.342 2.631 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000747386478 574193917 /nfs/dbraw/zinc/19/39/17/574193917.db2.gz OUKUKLRSDKQKKV-UMSPYCQHSA-N -1 1 291.395 2.923 20 0 CFADMM C[C@@H](c1ccc(F)cc1F)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739054607 574194753 /nfs/dbraw/zinc/19/47/53/574194753.db2.gz APCSSCARXDMHQW-VHSXEESVSA-N -1 1 284.306 2.615 20 0 CFADMM C[C@H](c1ccc(F)c(F)c1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739057032 574195513 /nfs/dbraw/zinc/19/55/13/574195513.db2.gz KSJCCSAZLXTNDN-GHMZBOCLSA-N -1 1 298.333 2.958 20 0 CFADMM COc1ccccc1CC(C)(C)[N-]C(=O)C(F)(F)F ZINC000729421688 574214619 /nfs/dbraw/zinc/21/46/19/574214619.db2.gz ZRWPEYBQXOUMCX-UHFFFAOYSA-N -1 1 275.270 2.695 20 0 CFADMM O=C([O-])[C@H](NCc1cccnc1Cl)c1ccccc1 ZINC000739504656 574215784 /nfs/dbraw/zinc/21/57/84/574215784.db2.gz LMVLNGNDSZJAPB-GFCCVEGCSA-N -1 1 276.723 2.651 20 0 CFADMM C[N@@H+](CCCNC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000739681940 574222750 /nfs/dbraw/zinc/22/27/50/574222750.db2.gz KHHIWNKNJHDINF-UHFFFAOYSA-N -1 1 290.285 2.795 20 0 CFADMM O=C([O-])NCc1ccc(NCc2[nH]nc3ccccc32)cc1 ZINC000740001748 574231800 /nfs/dbraw/zinc/23/18/00/574231800.db2.gz OXYXFURVKHSNEQ-UHFFFAOYSA-N -1 1 296.330 2.943 20 0 CFADMM COCCO[N-]C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000748768545 574264877 /nfs/dbraw/zinc/26/48/77/574264877.db2.gz YKCULQIIYFXTHX-QMMMGPOBSA-N -1 1 292.162 2.791 20 0 CFADMM COCCO[N-]C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000748768543 574264995 /nfs/dbraw/zinc/26/49/95/574264995.db2.gz YKCULQIIYFXTHX-MRVPVSSYSA-N -1 1 292.162 2.791 20 0 CFADMM Cc1oc(CN2CCC[C@@H]2c2cccn2C)cc1C(=O)[O-] ZINC000738978647 574278361 /nfs/dbraw/zinc/27/83/61/574278361.db2.gz ISQLLEFIOSWNPI-OAHLLOKOSA-N -1 1 288.347 2.962 20 0 CFADMM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1F)C(C)(C)C ZINC000734498398 574290038 /nfs/dbraw/zinc/29/00/38/574290038.db2.gz KBHVOJXLMFBQGJ-SECBINFHSA-N -1 1 291.363 2.925 20 0 CFADMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1F)C(C)(C)C ZINC000734498399 574290138 /nfs/dbraw/zinc/29/01/38/574290138.db2.gz KBHVOJXLMFBQGJ-VIFPVBQESA-N -1 1 291.363 2.925 20 0 CFADMM CCO[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)C1(CC)CC ZINC000749469293 574297146 /nfs/dbraw/zinc/29/71/46/574297146.db2.gz NHRVJICECZOVIK-IUCAKERBSA-N -1 1 267.291 2.649 20 0 CFADMM C[C@@H](CNC(=O)c1c([O-])cccc1Cl)c1ccncc1 ZINC000749544748 574299836 /nfs/dbraw/zinc/29/98/36/574299836.db2.gz JDTLNDQHMHKYFW-JTQLQIEISA-N -1 1 290.750 2.974 20 0 CFADMM COCCCCCOC(=O)c1c([O-])cc(F)cc1F ZINC000735137552 574313559 /nfs/dbraw/zinc/31/35/59/574313559.db2.gz XZLJXCMXFMODSW-UHFFFAOYSA-N -1 1 274.263 2.644 20 0 CFADMM CC(C)(C)C[C@H](O)CNC(=O)c1c([O-])cccc1Cl ZINC000735330177 574320877 /nfs/dbraw/zinc/32/08/77/574320877.db2.gz GDMNENYSHOFPBP-VIFPVBQESA-N -1 1 285.771 2.573 20 0 CFADMM C[C@H](c1cc(F)ccc1F)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739053090 574331295 /nfs/dbraw/zinc/33/12/95/574331295.db2.gz JIXAHTPIZCMUMY-GHMZBOCLSA-N -1 1 298.333 2.958 20 0 CFADMM C[C@H](CCC(C)(C)C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000735985166 574345529 /nfs/dbraw/zinc/34/55/29/574345529.db2.gz JMYYXXFEMJXHCJ-SNVBAGLBSA-N -1 1 274.372 2.888 20 0 CFADMM C[C@H](CCC(C)(C)C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000735985166 574345530 /nfs/dbraw/zinc/34/55/30/574345530.db2.gz JMYYXXFEMJXHCJ-SNVBAGLBSA-N -1 1 274.372 2.888 20 0 CFADMM COc1cccc(C(C)(C)C[N-]C(=O)C(F)(F)F)c1 ZINC000750529732 574345975 /nfs/dbraw/zinc/34/59/75/574345975.db2.gz ZADVDVQRXOQFNS-UHFFFAOYSA-N -1 1 275.270 2.651 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2(C)CCC2)c1 ZINC000750532159 574346335 /nfs/dbraw/zinc/34/63/35/574346335.db2.gz BHJVTTUNJPPGHV-UHFFFAOYSA-N -1 1 276.332 2.871 20 0 CFADMM C[C@@H](N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1)C(C)(C)C ZINC000736099662 574351325 /nfs/dbraw/zinc/35/13/25/574351325.db2.gz 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FSIGWKAYLSEERJ-DZGCQCFKSA-N -1 1 291.322 2.720 20 0 CFADMM C[C@H]1CCC[C@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833610012 605367486 /nfs/dbraw/zinc/36/74/86/605367486.db2.gz USWPBBIQXLOVND-DTWKUNHWSA-N -1 1 287.319 2.636 20 0 CFADMM C[C@@H]1CCC[C@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833610014 605368084 /nfs/dbraw/zinc/36/80/84/605368084.db2.gz USWPBBIQXLOVND-RKDXNWHRSA-N -1 1 287.319 2.636 20 0 CFADMM Cc1nc([C@@H](C)NCC[C@H]2CCCN(C(=O)[O-])C2)cs1 ZINC000830709280 605479394 /nfs/dbraw/zinc/47/93/94/605479394.db2.gz HYOPVIGAASRMLR-ZYHUDNBSSA-N -1 1 297.424 2.882 20 0 CFADMM O=C([O-])N[C@H]1CCN(C/C=C\c2ccc(Cl)cc2)C1 ZINC000834188677 605567933 /nfs/dbraw/zinc/56/79/33/605567933.db2.gz ABTSRKOIXGLWIO-FYDYADQUSA-N -1 1 280.755 2.695 20 0 CFADMM CCc1ncc(CN2CCC(CN(C)C(=O)[O-])CC2)s1 ZINC000833866592 605585892 /nfs/dbraw/zinc/58/58/92/605585892.db2.gz MURLEZYLQPBBJC-UHFFFAOYSA-N -1 1 297.424 2.527 20 0 CFADMM CN(Cc1cc(C(=O)[O-])ccc1F)C[C@@H]1CCCCO1 ZINC000062753723 605828583 /nfs/dbraw/zinc/82/85/83/605828583.db2.gz NTHGZCJGRKVOGI-ZDUSSCGKSA-N -1 1 281.327 2.525 20 0 CFADMM COc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821873859 606411479 /nfs/dbraw/zinc/41/14/79/606411479.db2.gz ZCQMEVCZTUTPMH-UHFFFAOYSA-N -1 1 287.348 2.549 20 0 CFADMM CCC[C@H]1C[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000821041080 606419904 /nfs/dbraw/zinc/41/99/04/606419904.db2.gz YUZSHCIHYLWZBE-NTSWFWBYSA-N -1 1 284.776 2.577 20 0 CFADMM CCC[C@H]1C[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000821041080 606419906 /nfs/dbraw/zinc/41/99/06/606419906.db2.gz YUZSHCIHYLWZBE-NTSWFWBYSA-N -1 1 284.776 2.577 20 0 CFADMM CC(C)CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)C1CC1 ZINC000820093374 606449348 /nfs/dbraw/zinc/44/93/48/606449348.db2.gz WWRVYAKZQKHBCT-UHFFFAOYSA-N -1 1 292.774 2.540 20 0 CFADMM CC(C)CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)C1CC1 ZINC000820093374 606449350 /nfs/dbraw/zinc/44/93/50/606449350.db2.gz WWRVYAKZQKHBCT-UHFFFAOYSA-N -1 1 292.774 2.540 20 0 CFADMM C[C@H]1CC[C@H](C)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820684528 606469830 /nfs/dbraw/zinc/46/98/30/606469830.db2.gz QZHGCEQDRQLRPV-IUCAKERBSA-N -1 1 292.774 2.540 20 0 CFADMM C[C@H]1CC[C@H](C)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000820684528 606469831 /nfs/dbraw/zinc/46/98/31/606469831.db2.gz QZHGCEQDRQLRPV-IUCAKERBSA-N -1 1 292.774 2.540 20 0 CFADMM C[C@@H]1CC[C@H](C)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820684526 606469862 /nfs/dbraw/zinc/46/98/62/606469862.db2.gz QZHGCEQDRQLRPV-BDAKNGLRSA-N -1 1 292.774 2.540 20 0 CFADMM C[C@@H]1CC[C@H](C)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000820684526 606469863 /nfs/dbraw/zinc/46/98/63/606469863.db2.gz QZHGCEQDRQLRPV-BDAKNGLRSA-N -1 1 292.774 2.540 20 0 CFADMM Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000822323289 606486076 /nfs/dbraw/zinc/48/60/76/606486076.db2.gz DGHIYDKGIFBEDW-UHFFFAOYSA-N -1 1 299.359 2.797 20 0 CFADMM Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000822323289 606486077 /nfs/dbraw/zinc/48/60/77/606486077.db2.gz DGHIYDKGIFBEDW-UHFFFAOYSA-N -1 1 299.359 2.797 20 0 CFADMM CCCC[C@H](CCC)CNc1nccnc1-c1nnn[n-]1 ZINC000821040766 606633842 /nfs/dbraw/zinc/63/38/42/606633842.db2.gz RAXUBYZBONLOJV-NSHDSACASA-N -1 1 289.387 2.675 20 0 CFADMM CCCC[C@H](CCC)CNc1nccnc1-c1nn[n-]n1 ZINC000821040766 606633843 /nfs/dbraw/zinc/63/38/43/606633843.db2.gz RAXUBYZBONLOJV-NSHDSACASA-N -1 1 289.387 2.675 20 0 CFADMM CCCC1(CNc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000821033499 607117346 /nfs/dbraw/zinc/11/73/46/607117346.db2.gz BWQGTHNKFAHWDS-UHFFFAOYSA-N -1 1 298.803 2.969 20 0 CFADMM CCCC1(CNc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000821033499 607117347 /nfs/dbraw/zinc/11/73/47/607117347.db2.gz BWQGTHNKFAHWDS-UHFFFAOYSA-N -1 1 298.803 2.969 20 0 CFADMM Fc1cccc(OCC2CCCC2)c1-c1nnn[n-]1 ZINC000826377963 607864731 /nfs/dbraw/zinc/86/47/31/607864731.db2.gz OTCLOICKHDFBEW-UHFFFAOYSA-N -1 1 262.288 2.575 20 0 CFADMM Fc1cccc(OCC2CCCC2)c1-c1nn[n-]n1 ZINC000826377963 607864732 /nfs/dbraw/zinc/86/47/32/607864732.db2.gz OTCLOICKHDFBEW-UHFFFAOYSA-N -1 1 262.288 2.575 20 0 CFADMM C[C@H]1Cc2ccccc2[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000825011975 607898939 /nfs/dbraw/zinc/89/89/39/607898939.db2.gz BMSOPJOKDJNOGF-BONVTDFDSA-N -1 1 292.346 2.607 20 0 CFADMM C[C@H]1Cc2ccccc2[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000825011975 607898940 /nfs/dbraw/zinc/89/89/40/607898940.db2.gz BMSOPJOKDJNOGF-BONVTDFDSA-N -1 1 292.346 2.607 20 0 CFADMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@@H]2CCCC[C@@H]12 ZINC000824962497 607901285 /nfs/dbraw/zinc/90/12/85/607901285.db2.gz UOFYVHFEJBRRGB-MBNYWOFBSA-N -1 1 298.394 2.667 20 0 CFADMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@@H]2CCCC[C@@H]12 ZINC000824962497 607901286 /nfs/dbraw/zinc/90/12/86/607901286.db2.gz UOFYVHFEJBRRGB-MBNYWOFBSA-N -1 1 298.394 2.667 20 0 CFADMM Cc1ccc(F)c(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000826289448 608112337 /nfs/dbraw/zinc/11/23/37/608112337.db2.gz AHXGHBRPIFUYRR-UHFFFAOYSA-N -1 1 273.271 2.519 20 0 CFADMM Cc1ccc(F)c(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000826289448 608112338 /nfs/dbraw/zinc/11/23/38/608112338.db2.gz AHXGHBRPIFUYRR-UHFFFAOYSA-N -1 1 273.271 2.519 20 0 CFADMM CC(C)CN(c1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC000824261194 608173471 /nfs/dbraw/zinc/17/34/71/608173471.db2.gz DSYDEEKHDYCRFI-UHFFFAOYSA-N -1 1 298.803 2.601 20 0 CFADMM CC(C)CN(c1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC000824261194 608173474 /nfs/dbraw/zinc/17/34/74/608173474.db2.gz DSYDEEKHDYCRFI-UHFFFAOYSA-N -1 1 298.803 2.601 20 0 CFADMM C[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)[C@H]1C ZINC000824946065 608184779 /nfs/dbraw/zinc/18/47/79/608184779.db2.gz HDXDZORDFVVLIH-BQBZGAKWSA-N -1 1 298.803 2.601 20 0 CFADMM CC[C@H]1CC[C@H](C)N1c1snc(Cl)c1-c1nnn[n-]1 ZINC000825191654 608237232 /nfs/dbraw/zinc/23/72/32/608237232.db2.gz DNWMKNPEMHAISS-BQBZGAKWSA-N -1 1 298.803 2.744 20 0 CFADMM CC[C@H]1CC[C@H](C)N1c1snc(Cl)c1-c1nn[n-]n1 ZINC000825191654 608237233 /nfs/dbraw/zinc/23/72/33/608237233.db2.gz DNWMKNPEMHAISS-BQBZGAKWSA-N -1 1 298.803 2.744 20 0 CFADMM Cc1ccc(CSc2ccc(-c3nnn[n-]3)nn2)cc1C ZINC000826288414 608432114 /nfs/dbraw/zinc/43/21/14/608432114.db2.gz GBMOCAWTLQOXKT-UHFFFAOYSA-N -1 1 298.375 2.566 20 0 CFADMM Cc1ccc(CSc2ccc(-c3nn[n-]n3)nn2)cc1C ZINC000826288414 608432115 /nfs/dbraw/zinc/43/21/15/608432115.db2.gz GBMOCAWTLQOXKT-UHFFFAOYSA-N -1 1 298.375 2.566 20 0 CFADMM C[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)o2)c2ccccc21 ZINC000824956226 609173627 /nfs/dbraw/zinc/17/36/27/609173627.db2.gz RARJDYGXSAJQOK-NSHDSACASA-N -1 1 295.346 2.974 20 0 CFADMM C[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)o2)c2ccccc21 ZINC000824956226 609173629 /nfs/dbraw/zinc/17/36/29/609173629.db2.gz RARJDYGXSAJQOK-NSHDSACASA-N -1 1 295.346 2.974 20 0 CFADMM CC(C)CCCSCc1ccnc(-c2nnn[n-]2)c1 ZINC000824244033 609181599 /nfs/dbraw/zinc/18/15/99/609181599.db2.gz PSCKKOQJKCQYIW-UHFFFAOYSA-N -1 1 277.397 2.931 20 0 CFADMM CC(C)CCCSCc1ccnc(-c2nn[n-]n2)c1 ZINC000824244033 609181601 /nfs/dbraw/zinc/18/16/01/609181601.db2.gz PSCKKOQJKCQYIW-UHFFFAOYSA-N -1 1 277.397 2.931 20 0 CFADMM Cc1noc(C(C)C)c1[N-]C(=O)c1cncc(Cl)n1 ZINC000900676095 620701248 /nfs/dbraw/zinc/70/12/48/620701248.db2.gz XRFFSSZVTLSRIU-UHFFFAOYSA-N -1 1 280.715 2.802 20 0 CFADMM C[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000049082573 618078514 /nfs/dbraw/zinc/07/85/14/618078514.db2.gz YTQXRQJZJJXGMS-SECBINFHSA-N -1 1 253.729 2.918 20 0 CFADMM Cc1noc(C)c1COC(=O)c1c([O-])cc(F)cc1F ZINC000063543310 617611963 /nfs/dbraw/zinc/61/19/63/617611963.db2.gz AMPIWBSIEVJVFG-UHFFFAOYSA-N -1 1 283.230 2.632 20 0 CFADMM CS[C@@H](C)CCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891622204 617689476 /nfs/dbraw/zinc/68/94/76/617689476.db2.gz NTLPEIHKFTWWLP-VIFPVBQESA-N -1 1 295.408 2.531 20 0 CFADMM O=C([N-]CCOc1cccc(Cl)c1)C(F)(F)C(F)F ZINC000176003740 617739721 /nfs/dbraw/zinc/73/97/21/617739721.db2.gz MLGQQDDZYBVVBG-UHFFFAOYSA-N -1 1 299.651 2.735 20 0 CFADMM CC(C)c1cnc(CN2CC[C@@](C)(C(=O)[O-])C2)s1 ZINC000859810535 617746349 /nfs/dbraw/zinc/74/63/49/617746349.db2.gz QQTLYCOKZHAHAY-CYBMUJFWSA-N -1 1 268.382 2.563 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(=O)CC12CCC2 ZINC000891841404 617780559 /nfs/dbraw/zinc/78/05/59/617780559.db2.gz JKNMVUHASFPUID-UHFFFAOYSA-N -1 1 293.750 2.773 20 0 CFADMM O=C(NOC/C=C/Cl)c1cc2ccccc2cc1[O-] ZINC000812404520 617785666 /nfs/dbraw/zinc/78/56/66/617785666.db2.gz FQKVIBUEKGVSSF-ZZXKWVIFSA-N -1 1 277.707 2.959 20 0 CFADMM COCc1nc(NCc2ccc(C)cc2C)cc(=O)[n-]1 ZINC000891896416 617811331 /nfs/dbraw/zinc/81/13/31/617811331.db2.gz NGXPXFYOPGTCDS-UHFFFAOYSA-N -1 1 273.336 2.558 20 0 CFADMM COCc1nc(N2CCC[C@@H]2c2ccccc2C)cc(=O)[n-]1 ZINC000891905621 617816964 /nfs/dbraw/zinc/81/69/64/617816964.db2.gz CCRSOOOHTRPZMV-CQSZACIVSA-N -1 1 299.374 2.979 20 0 CFADMM CCCCC1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000892153756 617975708 /nfs/dbraw/zinc/97/57/08/617975708.db2.gz PZMMYGDNSMQEOB-UHFFFAOYSA-N -1 1 276.262 2.732 20 0 CFADMM Cc1cccc2c1N[C@H](c1cc(F)c([O-])c(F)c1)NC2=O ZINC000175926745 618074042 /nfs/dbraw/zinc/07/40/42/618074042.db2.gz YRBRQUBXTIWSFF-AWEZNQCLSA-N -1 1 290.269 2.833 20 0 CFADMM CC(C)[C@H]1CCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000901332049 620787225 /nfs/dbraw/zinc/78/72/25/620787225.db2.gz UCZNXFDQXUJQRG-GFCCVEGCSA-N -1 1 288.322 2.950 20 0 CFADMM COCc1nc(NC[C@@H]2C[C@H]2c2ccccc2)cc(=O)[n-]1 ZINC000893987068 618264760 /nfs/dbraw/zinc/26/47/60/618264760.db2.gz YZOOOXQGLMHSMW-STQMWFEESA-N -1 1 285.347 2.544 20 0 CFADMM Cc1noc(C)c1[C@H](C)NCc1ccc(C(=O)[O-])s1 ZINC000235519826 618361554 /nfs/dbraw/zinc/36/15/54/618361554.db2.gz LIRUJKXJYDOEIF-ZETCQYMHSA-N -1 1 280.349 2.902 20 0 CFADMM Cc1cscc1CNCc1cc(C)c(C(=O)[O-])o1 ZINC000235816142 618443204 /nfs/dbraw/zinc/44/32/04/618443204.db2.gz XCFVJSDHBADEHE-UHFFFAOYSA-N -1 1 265.334 2.946 20 0 CFADMM Cc1cc(CNCc2ccsc2)oc1C(=O)[O-] ZINC000235837954 618452257 /nfs/dbraw/zinc/45/22/57/618452257.db2.gz DWKPUNZYXYGYHI-UHFFFAOYSA-N -1 1 251.307 2.638 20 0 CFADMM CC(C)[C@@H]1CCN1C(=O)NCCc1c(F)cc([O-])cc1F ZINC000927785272 618473356 /nfs/dbraw/zinc/47/33/56/618473356.db2.gz HWEDMAKFRKSJCS-AWEZNQCLSA-N -1 1 298.333 2.653 20 0 CFADMM CC(C)(NCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC000312728350 618478742 /nfs/dbraw/zinc/47/87/42/618478742.db2.gz HIRFZDUBODFRAJ-UHFFFAOYSA-N -1 1 270.332 2.805 20 0 CFADMM Cc1ccc(NC(=O)[C@H]2CCCN2C(C)C)c(C(=O)[O-])c1 ZINC000909508139 618489761 /nfs/dbraw/zinc/48/97/61/618489761.db2.gz ZDLSCDOGUDOFLH-CQSZACIVSA-N -1 1 290.363 2.505 20 0 CFADMM C[C@H](CC(F)(F)F)NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000901450707 620816771 /nfs/dbraw/zinc/81/67/71/620816771.db2.gz OJOHWZQJFDPVAK-WTSVBCDHSA-N -1 1 277.242 2.808 20 0 CFADMM O=C([O-])/C=C\c1ccc(CN2CCC(C(F)F)CC2)o1 ZINC000901433101 620819185 /nfs/dbraw/zinc/81/91/85/620819185.db2.gz IOAXDMQALGEAHK-ARJAWSKDSA-N -1 1 285.290 2.855 20 0 CFADMM C[C@]1(NCc2cc(C(=O)[O-])no2)CCCc2ccccc21 ZINC000901437408 620820397 /nfs/dbraw/zinc/82/03/97/620820397.db2.gz GGMLCZJVSHAAOE-INIZCTEOSA-N -1 1 286.331 2.714 20 0 CFADMM CC[C@@H](CC(=O)NCc1n[n-]c(=S)n1CC)C(C)C ZINC000066636740 618631455 /nfs/dbraw/zinc/63/14/55/618631455.db2.gz IORVJCQICYHOBT-JTQLQIEISA-N -1 1 284.429 2.649 20 0 CFADMM CCc1nc(C)c(CNCc2ccc(C(=O)[O-])s2)o1 ZINC000311753394 618721566 /nfs/dbraw/zinc/72/15/66/618721566.db2.gz JIPMAIIWQBYSEO-UHFFFAOYSA-N -1 1 280.349 2.595 20 0 CFADMM COCc1nc(N(C)Cc2cc3ccccc3o2)cc(=O)[n-]1 ZINC000892774586 618745172 /nfs/dbraw/zinc/74/51/72/618745172.db2.gz NNWAEDQIXMCOJT-UHFFFAOYSA-N -1 1 299.330 2.711 20 0 CFADMM CCS[C@@H]1CCC[C@H](Nc2cc(=O)[n-]c(COC)n2)C1 ZINC000892813524 618750126 /nfs/dbraw/zinc/75/01/26/618750126.db2.gz SGPOMTJMBLMYPR-WDEREUQCSA-N -1 1 297.424 2.805 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2cccnc2Cl)c(C)o1 ZINC000182767664 618900275 /nfs/dbraw/zinc/90/02/75/618900275.db2.gz TWGOFCJLXYEQQK-UHFFFAOYSA-N -1 1 286.740 2.746 20 0 CFADMM C[C@H](CCOCc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000307737966 619494947 /nfs/dbraw/zinc/49/49/47/619494947.db2.gz VSSYUMNMKPLYNB-SNVBAGLBSA-N -1 1 275.270 2.660 20 0 CFADMM O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1c(F)ccc([O-])c1F ZINC000889604312 619536242 /nfs/dbraw/zinc/53/62/42/619536242.db2.gz COXCPJVDRHTVIM-QXFUBDJGSA-N -1 1 267.275 2.589 20 0 CFADMM CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(O)c(F)c2)C1 ZINC000896001966 619651220 /nfs/dbraw/zinc/65/12/20/619651220.db2.gz CSJYHEYJJAEKLW-GFCCVEGCSA-N -1 1 293.260 2.685 20 0 CFADMM CO[C@@]1(c2nc(-c3ccc([O-])cc3F)no2)CCSC1 ZINC000896219796 619696255 /nfs/dbraw/zinc/69/62/55/619696255.db2.gz ZQIPNDCQFNKSFH-ZDUSSCGKSA-N -1 1 296.323 2.560 20 0 CFADMM O=C(N[C@H](c1ccccn1)C1CC1)c1ccc([O-])c(F)c1 ZINC000928611538 619711431 /nfs/dbraw/zinc/71/14/31/619711431.db2.gz HKJLOKAWFKIYPF-HNNXBMFYSA-N -1 1 286.306 2.807 20 0 CFADMM O=c1nc(N2C[C@H](C3CC3)C[C@@H]2C2CC2)cc(Cl)[n-]1 ZINC000896367690 619724785 /nfs/dbraw/zinc/72/47/85/619724785.db2.gz FOOSITFSNNGJKD-GHMZBOCLSA-N -1 1 279.771 2.851 20 0 CFADMM FC(F)c1nnc([N-][C@H]2CCCc3cccnc32)o1 ZINC000896419014 619733496 /nfs/dbraw/zinc/73/34/96/619733496.db2.gz LHDPXNDRYKHEAL-QMMMGPOBSA-N -1 1 266.251 2.892 20 0 CFADMM CCc1cccc(N(C)C(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000909570511 619904848 /nfs/dbraw/zinc/90/48/48/619904848.db2.gz CAVXLECEYLAZOC-UHFFFAOYSA-N -1 1 297.358 2.899 20 0 CFADMM CCN(C(=O)c1ccc2ccc(O)cc2c1[O-])C1CC1 ZINC000896995519 619910357 /nfs/dbraw/zinc/91/03/57/619910357.db2.gz HDMCEPHOTZMINF-UHFFFAOYSA-N -1 1 271.316 2.876 20 0 CFADMM [O-]c1ccc(F)cc1-c1nc(CCCCF)no1 ZINC000897207921 619950653 /nfs/dbraw/zinc/95/06/53/619950653.db2.gz YALYHYZVAKLXHX-UHFFFAOYSA-N -1 1 254.236 2.874 20 0 CFADMM CC[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(C)=O ZINC000871672459 620046904 /nfs/dbraw/zinc/04/69/04/620046904.db2.gz XITHQUDITMGBDJ-ZETCQYMHSA-N -1 1 262.281 2.580 20 0 CFADMM CC(C)OC(=O)c1cc(NC(=O)/C=C2\CC[C@H](C)C2)n[nH]1 ZINC000888117591 620121336 /nfs/dbraw/zinc/12/13/36/620121336.db2.gz PNTWDYOERIJESR-VUBLIPMDSA-N -1 1 291.351 2.660 20 0 CFADMM CCC(=CC(=O)Nc1cc(C(=O)OC(C)C)[nH]n1)CC ZINC000888117629 620121501 /nfs/dbraw/zinc/12/15/01/620121501.db2.gz QEBHJMNQBSYWOL-UHFFFAOYSA-N -1 1 279.340 2.660 20 0 CFADMM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccnc3cc(F)ccc32)C1 ZINC000263230242 620124333 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CC(C)(C)c1nc(CNC2(CC(=O)[O-])CC2)cs1 ZINC000901477600 620826193 /nfs/dbraw/zinc/82/61/93/620826193.db2.gz PLTIAROKDKMFTD-UHFFFAOYSA-N -1 1 268.382 2.538 20 0 CFADMM O=C([O-])[C@H]1CCN(Cc2cscc2C(F)(F)F)C1 ZINC000901490845 620834286 /nfs/dbraw/zinc/83/42/86/620834286.db2.gz PAOXSEFIMRMHLD-ZETCQYMHSA-N -1 1 279.283 2.673 20 0 CFADMM Cc1occc1CNCc1ccc(CC(=O)[O-])cc1 ZINC000901536624 620849723 /nfs/dbraw/zinc/84/97/23/620849723.db2.gz FPFIRHUUMGRLNV-UHFFFAOYSA-N -1 1 259.305 2.505 20 0 CFADMM CCc1cccc2cc(CN3CC[C@](F)(C(=O)[O-])C3)oc21 ZINC000901516082 620853730 /nfs/dbraw/zinc/85/37/30/620853730.db2.gz CKBAGEZELAKDHF-MRXNPFEDSA-N -1 1 291.322 2.994 20 0 CFADMM CCN(CCC(=O)[O-])Cc1ncc(C(C)C)s1 ZINC000901605037 620871948 /nfs/dbraw/zinc/87/19/48/620871948.db2.gz KJEJLUFDHUTZFN-UHFFFAOYSA-N -1 1 256.371 2.563 20 0 CFADMM C[C@H](O)CCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901616553 620873961 /nfs/dbraw/zinc/87/39/61/620873961.db2.gz OSPICRDUDOKKDP-JTQLQIEISA-N -1 1 276.361 2.712 20 0 CFADMM O=C([O-])c1ccc(CNCc2cccc3c2CCC3)o1 ZINC000901652260 620883283 /nfs/dbraw/zinc/88/32/83/620883283.db2.gz BUNKTXCXTDCBAA-UHFFFAOYSA-N -1 1 271.316 2.756 20 0 CFADMM CCCCC[C@@H](NCc1ccc(COC)o1)C(=O)[O-] ZINC000901728024 620902208 /nfs/dbraw/zinc/90/22/08/620902208.db2.gz XCELCUXPTOUCMI-CYBMUJFWSA-N -1 1 269.341 2.549 20 0 CFADMM Cc1ccoc1CN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000901745047 620907783 /nfs/dbraw/zinc/90/77/83/620907783.db2.gz OQNMTOKFISGRMG-UHFFFAOYSA-N -1 1 271.316 2.845 20 0 CFADMM O=C([O-])[C@]1(F)CN(C/C=C\c2ccccc2)CC12CCC2 ZINC000901916070 620935340 /nfs/dbraw/zinc/93/53/40/620935340.db2.gz SFIWPXCVYWBIJJ-RLXIPRIJSA-N -1 1 289.350 2.979 20 0 CFADMM C[C@H](NC1CC(OC(C)(C)C)C1)c1ncc(C(=O)[O-])s1 ZINC000901907976 620937939 /nfs/dbraw/zinc/93/79/39/620937939.db2.gz LYENOPUXVGKMBL-IDKOKCKLSA-N -1 1 298.408 2.838 20 0 CFADMM C[C@@H]1CN(Cc2csc3ccccc23)C[C@H](C(=O)[O-])O1 ZINC000901910071 620938244 /nfs/dbraw/zinc/93/82/44/620938244.db2.gz BLPYOTPRXXAVSS-ZWNOBZJWSA-N -1 1 291.372 2.575 20 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1 289.331 2.839 20 0 CFADMM Cc1cc(C)c(CNCc2cc(C(=O)[O-])no2)c(C)c1 ZINC000902109344 620975295 /nfs/dbraw/zinc/97/52/95/620975295.db2.gz RKGBWQZPJKLUNL-UHFFFAOYSA-N -1 1 274.320 2.588 20 0 CFADMM CCc1oc(CNCCOC2CCCC2)cc1C(=O)[O-] ZINC000902190956 620995341 /nfs/dbraw/zinc/99/53/41/620995341.db2.gz FULJEDMYZGDTDK-UHFFFAOYSA-N -1 1 281.352 2.589 20 0 CFADMM O=C([O-])c1cccc(CN2CCC(c3ccco3)CC2)n1 ZINC000902259578 621007903 /nfs/dbraw/zinc/00/79/03/621007903.db2.gz KLZAKIQQEZUKJJ-UHFFFAOYSA-N -1 1 286.331 2.752 20 0 CFADMM COc1ccc(CNCc2cc(C(=O)[O-])co2)c(C)c1 ZINC000902271521 621020026 /nfs/dbraw/zinc/02/00/26/621020026.db2.gz YCDQFUMOBZYSJM-UHFFFAOYSA-N -1 1 275.304 2.585 20 0 CFADMM COc1cc(C)ccc1CNCc1ccoc1C(=O)[O-] ZINC000902340251 621031907 /nfs/dbraw/zinc/03/19/07/621031907.db2.gz YXKBCUXDHPJXKH-UHFFFAOYSA-N -1 1 275.304 2.585 20 0 CFADMM CCc1oc(CN2CCC[C@H](OC(C)C)C2)cc1C(=O)[O-] ZINC000902346058 621034172 /nfs/dbraw/zinc/03/41/72/621034172.db2.gz SIFRXTWKESUBKA-LBPRGKRZSA-N -1 1 295.379 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DAZABCYNSMVSEJ-JTEKXYAQSA-N -1 1 293.338 2.691 20 0 CFADMM C[C@@H]1CCN(Cc2occ(C(F)(F)F)c2C(=O)[O-])C1 ZINC000903887998 621460262 /nfs/dbraw/zinc/46/02/62/621460262.db2.gz MCORJXAXNFTYEK-SSDOTTSWSA-N -1 1 277.242 2.838 20 0 CFADMM Cc1cc(C)nc(CN2CCc3cccc(C(=O)[O-])c3C2)c1 ZINC000903901184 621468408 /nfs/dbraw/zinc/46/84/08/621468408.db2.gz CNUABMGJCWRKNP-UHFFFAOYSA-N -1 1 296.370 2.955 20 0 CFADMM Cc1cc(C)nc(CN2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC000903905999 621469354 /nfs/dbraw/zinc/46/93/54/621469354.db2.gz CCDZKQHLCLPVCJ-UHFFFAOYSA-N -1 1 296.370 2.955 20 0 CFADMM CC1(C[N@H+]2CCOc3c(cccc3C(=O)[O-])C2)CCC1 ZINC000903921755 621473830 /nfs/dbraw/zinc/47/38/30/621473830.db2.gz RIPNRGCPYWENAS-UHFFFAOYSA-N -1 1 275.348 2.769 20 0 CFADMM CC(C)SCCN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903957232 621478483 /nfs/dbraw/zinc/47/84/83/621478483.db2.gz OQCSCGQJIYKRJC-UHFFFAOYSA-N -1 1 295.404 2.721 20 0 CFADMM CSCC1CCN([C@H](C(=O)[O-])c2ccsc2)CC1 ZINC000903917784 621478591 /nfs/dbraw/zinc/47/85/91/621478591.db2.gz XQGFSJZRFUYYTF-LBPRGKRZSA-N -1 1 285.434 2.949 20 0 CFADMM O=C([O-])c1csc(CN2CCCSC[C@@H]2C2CC2)n1 ZINC000903947277 621485141 /nfs/dbraw/zinc/48/51/41/621485141.db2.gz WPGKSKFZCVUBIG-LLVKDONJSA-N -1 1 298.433 2.559 20 0 CFADMM COc1cccc([C@@H](CC(=O)[O-])NCc2cc(C)co2)c1 ZINC000903998364 621496947 /nfs/dbraw/zinc/49/69/47/621496947.db2.gz NJAKJWNKMFSKRL-OAHLLOKOSA-N -1 1 289.331 2.902 20 0 CFADMM Cc1n[nH]cc1CN[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000903998565 621497065 /nfs/dbraw/zinc/49/70/65/621497065.db2.gz UKEFKCOXQKVODW-ZDUSSCGKSA-N -1 1 293.754 2.677 20 0 CFADMM CCc1cccc2cc(CNC[C@H](F)C(=O)[O-])oc21 ZINC000904042918 621510739 /nfs/dbraw/zinc/51/07/39/621510739.db2.gz MABMNSHDEKXPQV-LBPRGKRZSA-N -1 1 265.284 2.508 20 0 CFADMM Cc1ncsc1CN[C@@H](CC(=O)[O-])c1ccccc1F ZINC000904045058 621511074 /nfs/dbraw/zinc/51/10/74/621511074.db2.gz FWQMTUSULYDMPQ-LBPRGKRZSA-N -1 1 294.351 2.896 20 0 CFADMM Cc1cccc([C@@H](CC(=O)[O-])NCc2cn(C3CC3)cn2)c1 ZINC000904045397 621511278 /nfs/dbraw/zinc/51/12/78/621511278.db2.gz IWBJPYWEOHDRFO-MRXNPFEDSA-N -1 1 299.374 2.832 20 0 CFADMM CC[C@@H](NCc1ccc(C)c(C)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904065598 621514662 /nfs/dbraw/zinc/51/46/62/621514662.db2.gz UBULWLFJNHAQEW-CYBMUJFWSA-N -1 1 287.363 2.966 20 0 CFADMM CCCc1ccc(CN[C@@H](COCC(C)C)C(=O)[O-])s1 ZINC000904067161 621515148 /nfs/dbraw/zinc/51/51/48/621515148.db2.gz SDSYWVAFCJKADM-AWEZNQCLSA-N -1 1 299.436 2.916 20 0 CFADMM Cc1cnc([C@H](C)N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)s1 ZINC000904223661 621552427 /nfs/dbraw/zinc/55/24/27/621552427.db2.gz KMFWOJPKOWJDMO-AXFHLTTASA-N -1 1 295.408 2.681 20 0 CFADMM COc1cnc(C=Cc2ncc(CSC)s2)[n-]c1=O ZINC000905076656 621699272 /nfs/dbraw/zinc/69/92/72/621699272.db2.gz JYEZAUIWWFQKQH-ARJAWSKDSA-N -1 1 295.389 2.681 20 0 CFADMM COc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])o2)cc1F ZINC000071381141 625509859 /nfs/dbraw/zinc/50/98/59/625509859.db2.gz MUGYJQDQORRDHU-SECBINFHSA-N -1 1 293.294 2.976 20 0 CFADMM O=C([O-])c1ccc(CN[C@H]2CCCOc3ccccc32)nc1 ZINC000905723264 621833605 /nfs/dbraw/zinc/83/36/05/621833605.db2.gz BXULJBKOWMGEBN-HNNXBMFYSA-N -1 1 298.342 2.783 20 0 CFADMM O=C([O-])/C=C\c1ccc(CNC2([C@@H]3CCCCO3)CC2)o1 ZINC000905771217 621860245 /nfs/dbraw/zinc/86/02/45/621860245.db2.gz UYPZQBBBCGSPBM-AFNCTOJWSA-N -1 1 291.347 2.569 20 0 CFADMM CCC[C@@H](NCc1ccc([C@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000905786492 621871465 /nfs/dbraw/zinc/87/14/65/621871465.db2.gz QGWHZTRNFYHXSV-ADEWGFFLSA-N -1 1 251.326 2.746 20 0 CFADMM Cc1cc(COc2cc(C)nc(C)c2)oc1C(=O)[O-] ZINC000832901221 625537466 /nfs/dbraw/zinc/53/74/66/625537466.db2.gz ZVYKEIJWQUELQF-UHFFFAOYSA-N -1 1 261.277 2.877 20 0 CFADMM COc1cccc(C)c1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907769287 622160733 /nfs/dbraw/zinc/16/07/33/622160733.db2.gz QSFRHLMAEBMASM-UHFFFAOYSA-N -1 1 299.330 2.629 20 0 CFADMM O=S(=O)([N-][C@@H]1C[C@H]2CCC[C@@H]21)c1sccc1Cl ZINC000907959314 622177235 /nfs/dbraw/zinc/17/72/35/622177235.db2.gz NUKHFYJSCVZUIF-KHQFGBGNSA-N -1 1 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/nfs/dbraw/zinc/49/40/46/622494046.db2.gz INNLRODOJKTGSE-QMMMGPOBSA-N -1 1 253.248 2.965 20 0 CFADMM O=C(COC1CCCCC1)Nc1cc(F)cc(F)c1[O-] ZINC000910981333 622494064 /nfs/dbraw/zinc/49/40/64/622494064.db2.gz OLGDWGRMYLONFI-UHFFFAOYSA-N -1 1 285.290 2.958 20 0 CFADMM O=C(/C=C\C1CCOCC1)Nc1cc(F)cc(F)c1[O-] ZINC000910983347 622494759 /nfs/dbraw/zinc/49/47/59/622494759.db2.gz HULBNZDPICFYSJ-UPHRSURJSA-N -1 1 283.274 2.592 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])C1SCCCS1 ZINC000910986338 622495257 /nfs/dbraw/zinc/49/52/57/622495257.db2.gz KQOVKRGBHJEPBU-UHFFFAOYSA-N -1 1 291.344 2.805 20 0 CFADMM CC(C)CO[C@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984382 622495422 /nfs/dbraw/zinc/49/54/22/622495422.db2.gz OHSAQJYJCPBDEF-MRVPVSSYSA-N -1 1 273.279 2.670 20 0 CFADMM Cn1cc(C(=O)Nc2cc(F)cc(F)c2[O-])c(C2CC2)n1 ZINC000910986024 622495610 /nfs/dbraw/zinc/49/56/10/622495610.db2.gz FGMRCIHQUGQJGX-UHFFFAOYSA-N -1 1 293.273 2.534 20 0 CFADMM C[C@H](C(=O)Nc1cc(F)cc(F)c1[O-])C(C)(F)F ZINC000910986016 622495613 /nfs/dbraw/zinc/49/56/13/622495613.db2.gz FFHYZXMBGMJMKQ-RXMQYKEDSA-N -1 1 265.206 2.900 20 0 CFADMM CC(C)(C(=O)Nc1cc(F)cc(F)c1[O-])C(F)F ZINC000910991177 622496498 /nfs/dbraw/zinc/49/64/98/622496498.db2.gz KBKWALPKSMUZQO-UHFFFAOYSA-N -1 1 265.206 2.900 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])C1CC2(CC2)C1 ZINC000910994927 622496854 /nfs/dbraw/zinc/49/68/54/622496854.db2.gz WQXWQISTRRYLNT-UHFFFAOYSA-N -1 1 253.248 2.799 20 0 CFADMM COc1cccc(S([O-])=CC(=O)OCCCC(C)C)c1 ZINC000819950426 622581407 /nfs/dbraw/zinc/58/14/07/622581407.db2.gz QJPBLDXQPRZWOH-HXUWFJFHSA-N -1 1 298.404 2.782 20 0 CFADMM CCCCO[C@H](C)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000819952057 622582004 /nfs/dbraw/zinc/58/20/04/622582004.db2.gz YXRNEIVDIXHNGU-SNVBAGLBSA-N -1 1 292.335 2.596 20 0 CFADMM Cc1ccccc1[C@@H](C)C(=O)[N-]OCCOC(C)C ZINC000820014116 622597922 /nfs/dbraw/zinc/59/79/22/622597922.db2.gz NHZWOCCZNSXLNP-CYBMUJFWSA-N -1 1 265.353 2.571 20 0 CFADMM CCCCC[C@@H](NC(=O)CCCc1nn[n-]n1)C(C)(C)C ZINC000820024179 622599848 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/nfs/dbraw/zinc/12/35/31/623123531.db2.gz JQKQNUIBDIRHSE-UHFFFAOYSA-N -1 1 293.273 2.844 20 0 CFADMM O=C(NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1c([O-])cccc1Cl ZINC000834389822 625654565 /nfs/dbraw/zinc/65/45/65/625654565.db2.gz FXAZOGJUUNWHMG-NRUUGDAUSA-N -1 1 295.766 2.733 20 0 CFADMM CC(C)OC1(C(=O)Nc2cccc(F)c2[O-])CCC1 ZINC000824990611 623602019 /nfs/dbraw/zinc/60/20/19/623602019.db2.gz UJAFKQCCFWIRPV-UHFFFAOYSA-N -1 1 267.300 2.818 20 0 CFADMM CCC[C@H](C)CCNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000914365423 623772936 /nfs/dbraw/zinc/77/29/36/623772936.db2.gz SYLOEVWHWWAFSK-VIFPVBQESA-N -1 1 297.424 2.769 20 0 CFADMM COc1cccc([C@H](C)C(=O)[N-]OCC(C)C)c1 ZINC000153416810 623959796 /nfs/dbraw/zinc/95/97/96/623959796.db2.gz SXJXGOMPAHOABT-NSHDSACASA-N -1 1 251.326 2.503 20 0 CFADMM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1cccc(O)c1 ZINC000827929171 624130229 /nfs/dbraw/zinc/13/02/29/624130229.db2.gz WMIFTLZZJHEANB-JTQLQIEISA-N -1 1 275.304 2.876 20 0 CFADMM Cc1[n-]n(-c2ccc(OC(F)(F)F)cc2)c(=O)c1F 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CCON(CC)C(=O)c1ccc2ccccc2c1[O-] ZINC000831491183 625034506 /nfs/dbraw/zinc/03/45/06/625034506.db2.gz ARMQFNIUNUTSRM-UHFFFAOYSA-N -1 1 259.305 2.959 20 0 CFADMM C[C@H]1C[C@H](NC(=O)c2ccc([O-])cc2F)CCS1 ZINC000834660395 625764545 /nfs/dbraw/zinc/76/45/45/625764545.db2.gz KLLYZJCEFKTFPW-DTWKUNHWSA-N -1 1 269.341 2.545 20 0 CFADMM CCn1ncc(C(=O)NCc2ccc([O-])c(Cl)c2)c1C ZINC000834819516 625879825 /nfs/dbraw/zinc/87/98/25/625879825.db2.gz YHCUGRYUZCNBBX-UHFFFAOYSA-N -1 1 293.754 2.500 20 0 CFADMM O=C(NCc1ccc([O-])c(Cl)c1)c1ocnc1C1CC1 ZINC000834823468 625881049 /nfs/dbraw/zinc/88/10/49/625881049.db2.gz XXGOWCZORWJSCZ-UHFFFAOYSA-N -1 1 292.722 2.841 20 0 CFADMM CO[C@H](C(=O)NCc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000834823076 625883269 /nfs/dbraw/zinc/88/32/69/625883269.db2.gz SHDQUZQWAJCWQO-AWEZNQCLSA-N -1 1 297.782 2.867 20 0 CFADMM C[C@@H]1C[C@H](C(=O)NCc2ccc([O-])c(Cl)c2)CCC1=O ZINC000834824953 625885181 /nfs/dbraw/zinc/88/51/81/625885181.db2.gz CVEYNYHYCRJJHA-MWLCHTKSSA-N -1 1 295.766 2.667 20 0 CFADMM CSC[C@@H](C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834829196 625886568 /nfs/dbraw/zinc/88/65/68/625886568.db2.gz OACGYQHGGRSTPA-MRVPVSSYSA-N -1 1 273.785 2.661 20 0 CFADMM O=C(CCC1CCOCC1)NCc1ccc([O-])c(Cl)c1 ZINC000834829571 625890820 /nfs/dbraw/zinc/89/08/20/625890820.db2.gz XEMIHPAWOBAOKN-UHFFFAOYSA-N -1 1 297.782 2.869 20 0 CFADMM O=C(/C=C\C1CC1)NCc1ccc([O-])c(Cl)c1 ZINC000834829391 625891219 /nfs/dbraw/zinc/89/12/19/625891219.db2.gz WCQAAZAONGYNJU-XQRVVYSFSA-N -1 1 251.713 2.628 20 0 CFADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1CC1(Cl)Cl ZINC000834833636 625893840 /nfs/dbraw/zinc/89/38/40/625893840.db2.gz GKOLINSGEXRANU-SSDOTTSWSA-N -1 1 294.565 2.856 20 0 CFADMM CC(C)c1cnc(CN2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)o1 ZINC000851709466 634480907 /nfs/dbraw/zinc/48/09/07/634480907.db2.gz ZAUXVGIANXWUFD-QJPTWQEYSA-N -1 1 280.368 2.872 20 0 CFADMM C[C@@H]1CC[C@H](CO)N1C(=O)c1cc2ccccc2cc1[O-] ZINC000921986268 626191284 /nfs/dbraw/zinc/19/12/84/626191284.db2.gz HISDLZDAMUZZSI-BXUZGUMPSA-N -1 1 285.343 2.531 20 0 CFADMM CC(C)CN(CC(=O)[O-])Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000086778004 626416071 /nfs/dbraw/zinc/41/60/71/626416071.db2.gz NKASBCBIVILAGS-YPMHNXCESA-N -1 1 265.353 2.946 20 0 CFADMM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H]1CCCN1C(C)C ZINC000923093695 626450346 /nfs/dbraw/zinc/45/03/46/626450346.db2.gz VPMPGRQMLPFLKW-NSHDSACASA-N -1 1 296.392 2.566 20 0 CFADMM Cc1ccc(N(C)CCC[N-]C(=O)C(F)(F)F)c(F)c1 ZINC000839648391 626549360 /nfs/dbraw/zinc/54/93/60/626549360.db2.gz NOMZVCMAKAEYBC-UHFFFAOYSA-N -1 1 292.276 2.639 20 0 CFADMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)c1ccncc1 ZINC000757707573 626559742 /nfs/dbraw/zinc/55/97/42/626559742.db2.gz ZIAUQMWNCBNPQS-QMMMGPOBSA-N -1 1 279.242 2.983 20 0 CFADMM Cc1cc(NC(=O)c2c([O-])cccc2Cl)c[nH]c1=O ZINC000757917980 626567660 /nfs/dbraw/zinc/56/76/60/626567660.db2.gz AIOOQEVQGSTLKP-UHFFFAOYSA-N -1 1 278.695 2.707 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)CC(C)(F)F)c1 ZINC000758699884 626603474 /nfs/dbraw/zinc/60/34/74/626603474.db2.gz IGTQIHIXRAKXCC-UHFFFAOYSA-N -1 1 286.274 2.726 20 0 CFADMM Cc1c([N-]S(=O)(=O)c2ccccc2C)[nH]nc1C1CC1 ZINC000760322105 626733964 /nfs/dbraw/zinc/73/39/64/626733964.db2.gz VXXLHVCXHHEIHL-UHFFFAOYSA-N -1 1 291.376 2.705 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CC12CCCC2 ZINC000760591060 626757814 /nfs/dbraw/zinc/75/78/14/626757814.db2.gz WEQDJUFCRFBBMG-NSHDSACASA-N -1 1 289.379 2.677 20 0 CFADMM CC1(CC(=O)Nc2nc(Br)ccc2[O-])CC1 ZINC000760855516 626778299 /nfs/dbraw/zinc/77/82/99/626778299.db2.gz NSYQNNDNPCXRGG-UHFFFAOYSA-N -1 1 285.141 2.678 20 0 CFADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccc[nH]1 ZINC000760954864 626787897 /nfs/dbraw/zinc/78/78/97/626787897.db2.gz UCOGEJYYGHTZQG-QMMMGPOBSA-N -1 1 264.712 2.865 20 0 CFADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccccn1 ZINC000765420313 627136273 /nfs/dbraw/zinc/13/62/73/627136273.db2.gz KCFBLAVZSIDXLV-SECBINFHSA-N -1 1 276.723 2.932 20 0 CFADMM O=C([N-]Cc1ncccc1F)C(F)(F)c1ccccc1F ZINC000765882239 627161892 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C[C@H](COC(=O)c1ccc([O-])cc1F)C(F)(F)F ZINC000773565465 627838391 /nfs/dbraw/zinc/83/83/91/627838391.db2.gz IUYJLEAYGZPSTE-ZCFIWIBFSA-N -1 1 266.190 2.887 20 0 CFADMM CCCCc1nc(COC(=O)c2ccc([O-])cc2F)no1 ZINC000773563535 627837924 /nfs/dbraw/zinc/83/79/24/627837924.db2.gz CMUOZBDNZWLQQI-UHFFFAOYSA-N -1 1 294.282 2.614 20 0 CFADMM COc1ccc(CCOC(=O)c2ccc([O-])cc2F)cc1 ZINC000773573427 627838463 /nfs/dbraw/zinc/83/84/63/627838463.db2.gz MZMFEUMKCXFFFS-UHFFFAOYSA-N -1 1 290.290 2.939 20 0 CFADMM O=C(OCCCCCn1cccn1)c1ccc([O-])cc1F ZINC000773573489 627839307 /nfs/dbraw/zinc/83/93/07/627839307.db2.gz OTXNVIWMWRCIOH-UHFFFAOYSA-N -1 1 292.310 2.755 20 0 CFADMM CC(C)[C@@H](O)C1(CNC(=O)c2c([O-])cccc2Cl)CC1 ZINC000775901674 628081825 /nfs/dbraw/zinc/08/18/25/628081825.db2.gz NQFWNQSURGRYSH-CYBMUJFWSA-N -1 1 297.782 2.573 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@H]1c1ncc[nH]1 ZINC000777456750 628227531 /nfs/dbraw/zinc/22/75/31/628227531.db2.gz DSYPJKMNCAZQEU-JTQLQIEISA-N -1 1 291.738 2.746 20 0 CFADMM 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CCN(CC(C)(C)C)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000794909537 629702448 /nfs/dbraw/zinc/70/24/48/629702448.db2.gz DZUPFPMITGGFJD-UHFFFAOYSA-N -1 1 292.408 2.526 20 0 CFADMM COC(=O)c1ccc(C(=O)OCc2cccc(Cl)c2)[n-]1 ZINC000796343957 629906636 /nfs/dbraw/zinc/90/66/36/629906636.db2.gz JAXKMQGLUFGARU-UHFFFAOYSA-N -1 1 293.706 2.812 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@H](C)c2ccc(F)cc2)[n-]1 ZINC000796345820 629906798 /nfs/dbraw/zinc/90/67/98/629906798.db2.gz QMXSQGBLRAFHCD-SECBINFHSA-N -1 1 291.278 2.858 20 0 CFADMM COC(=O)c1ccc(C(=O)OC[C@H](C)c2ccccc2)[n-]1 ZINC000796369325 629909999 /nfs/dbraw/zinc/90/99/99/629909999.db2.gz LUWHIMSJOBSNSD-NSHDSACASA-N -1 1 287.315 2.762 20 0 CFADMM CC[C@H]1CCCC[C@H]1OC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000796786335 629966692 /nfs/dbraw/zinc/96/66/92/629966692.db2.gz VLOAUMLRPDZYDL-GXFFZTMASA-N -1 1 279.336 2.927 20 0 CFADMM COC(=O)c1ccc(C(=O)OC[C@H]2C[C@]2(C)C(C)C)[n-]1 ZINC000797117074 630021017 /nfs/dbraw/zinc/02/10/17/630021017.db2.gz ANSWHEOVDMHLGF-MEBBXXQBSA-N -1 1 279.336 2.640 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CCC(F)(F)C1 ZINC000797757178 630100683 /nfs/dbraw/zinc/10/06/83/630100683.db2.gz BPMWJSPMNRBRMW-ZCFIWIBFSA-N -1 1 276.670 2.815 20 0 CFADMM O=C(C[C@@H]1CCC(F)(F)C1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000797838305 630111492 /nfs/dbraw/zinc/11/14/92/630111492.db2.gz NPYJEPDFGABARG-YFKPBYRVSA-N -1 1 298.215 2.588 20 0 CFADMM Cc1cc(Cl)nc(CNC(=O)c2ccc([O-])cc2F)c1 ZINC000800575476 630396884 /nfs/dbraw/zinc/39/68/84/630396884.db2.gz WBZTXDBOBAUHMU-UHFFFAOYSA-N -1 1 294.713 2.818 20 0 CFADMM C/C=C/COC(=O)c1nn(-c2ccc(C)cc2)cc1[O-] ZINC000801367536 630442734 /nfs/dbraw/zinc/44/27/34/630442734.db2.gz KEAJWUNYFCAGKL-ONEGZZNKSA-N -1 1 272.304 2.619 20 0 CFADMM CC(C)(C)c1cnc(CCC(=O)[N-]OCC(F)(F)F)o1 ZINC000801634355 630463027 /nfs/dbraw/zinc/46/30/27/630463027.db2.gz LAWKLRXRQVOLRC-UHFFFAOYSA-N -1 1 294.273 2.515 20 0 CFADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]2C[C@H]21 ZINC000804298553 630669671 /nfs/dbraw/zinc/66/96/71/630669671.db2.gz BHRBXAKVGKIUPD-GZMMTYOYSA-N -1 1 296.164 2.779 20 0 CFADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]2C[C@@H]21 ZINC000804298554 630669692 /nfs/dbraw/zinc/66/96/92/630669692.db2.gz BHRBXAKVGKIUPD-KCJUWKMLSA-N -1 1 296.164 2.779 20 0 CFADMM CCC(F)(F)C(=O)[N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000855054201 635451883 /nfs/dbraw/zinc/45/18/83/635451883.db2.gz FPKZXRFFMGAVAA-YUMQZZPRSA-N -1 1 289.244 2.648 20 0 CFADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1C[C@@H](F)[C@@H](F)C1 ZINC000836819596 630891371 /nfs/dbraw/zinc/89/13/71/630891371.db2.gz FVCHLLFAVOBJOY-DTORHVGOSA-N -1 1 295.207 2.543 20 0 CFADMM CC(C)[C@H](CO)O[N-]C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000836897994 630911800 /nfs/dbraw/zinc/91/18/00/630911800.db2.gz YYSYUBMEDMJJTF-GWCFXTLKSA-N -1 1 285.771 2.508 20 0 CFADMM COc1cccc2cc(CN(CC(=O)[O-])C(C)C)oc21 ZINC000840998141 631297453 /nfs/dbraw/zinc/29/74/53/631297453.db2.gz NFUNLLBVZYTQDF-UHFFFAOYSA-N -1 1 277.320 2.736 20 0 CFADMM Cc1nc(SC[C@H](O)c2ccc(F)cc2)[n-]c(=O)c1C ZINC000840204054 631390243 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C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000869482163 639252913 /nfs/dbraw/zinc/25/29/13/639252913.db2.gz KUUJXZVAPFOAFI-KJEVXHAQSA-N -1 1 297.358 2.809 20 0 CFADMM CC1(C)CC[C@H](OC(=O)Cc2ccc([O-])c(Cl)c2)C1=O ZINC000869734147 639373678 /nfs/dbraw/zinc/37/36/78/639373678.db2.gz CUMNCYNJRPIWEZ-LBPRGKRZSA-N -1 1 296.750 2.889 20 0 CFADMM O=C(Cc1ccc([O-])c(Cl)c1)OCCC[C@@H]1CCOC1 ZINC000869734960 639374973 /nfs/dbraw/zinc/37/49/73/639374973.db2.gz NFAPDHQACPWYJW-LLVKDONJSA-N -1 1 298.766 2.948 20 0 CFADMM CO[C@H]1CC[C@H](C)N(C(=O)c2c([O-])cccc2Cl)C1 ZINC000870720185 639791048 /nfs/dbraw/zinc/79/10/48/639791048.db2.gz NAIWGQCUXFDVAQ-UWVGGRQHSA-N -1 1 283.755 2.685 20 0 CFADMM O=C(COCc1ccccc1)Nc1nc(Cl)ccc1[O-] ZINC000193196030 650632047 /nfs/dbraw/zinc/63/20/47/650632047.db2.gz QJUXSEDIYWBBOH-UHFFFAOYSA-N -1 1 292.722 2.596 20 0 CFADMM CN(CCc1ccccc1F)C(=O)c1cc(F)ccc1[O-] ZINC000080027093 650637269 /nfs/dbraw/zinc/63/72/69/650637269.db2.gz CPCQFIIXHVIKCU-UHFFFAOYSA-N 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277.711 2.769 20 0 CFADMM COC(=O)c1cnc(-c2ccc(Cl)c([O-])c2)c(OC)c1 ZINC001243576481 782286644 /nfs/dbraw/zinc/28/66/44/782286644.db2.gz HZPPTRPNVCFKRJ-UHFFFAOYSA-N -1 1 293.706 2.903 20 0 CFADMM O=c1cc2[nH]c(-c3ccc(Cl)c([O-])c3)ccc-2[nH]1 ZINC001243576490 782286693 /nfs/dbraw/zinc/28/66/93/782286693.db2.gz IHLCETXOCJEMCQ-UHFFFAOYSA-N -1 1 260.680 2.602 20 0 CFADMM COc1nc(-c2ccc(Cl)c([O-])c2)ncc1F ZINC001243577026 782287732 /nfs/dbraw/zinc/28/77/32/782287732.db2.gz RAGRKMWSNAANJG-UHFFFAOYSA-N -1 1 254.648 2.650 20 0 CFADMM O=C1Cc2ccc(-c3ccc(Cl)c([O-])c3)nc2N1 ZINC001243576545 782287759 /nfs/dbraw/zinc/28/77/59/782287759.db2.gz KKMNGYPALXCRTF-UHFFFAOYSA-N -1 1 260.680 2.602 20 0 CFADMM COc1ncc(-c2ccc(Cl)c([O-])c2)c(OC)n1 ZINC001243578073 782287889 /nfs/dbraw/zinc/28/78/89/782287889.db2.gz LGKBWMVWNWSKGP-UHFFFAOYSA-N -1 1 266.684 2.520 20 0 CFADMM COc1ncc(F)c(-c2ccc(Cl)c([O-])c2)n1 ZINC001243576860 782287923 /nfs/dbraw/zinc/28/79/23/782287923.db2.gz VUPQQGCYMPVMAK-UHFFFAOYSA-N -1 1 254.648 2.650 20 0 CFADMM COc1cnc(C)nc1-c1ccc(Cl)c([O-])c1 ZINC001243578203 782288433 /nfs/dbraw/zinc/28/84/33/782288433.db2.gz DCTPPWHGRXZPGR-UHFFFAOYSA-N -1 1 250.685 2.820 20 0 CFADMM COC(=O)c1cc(OC)nc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243577088 782288563 /nfs/dbraw/zinc/28/85/63/782288563.db2.gz SMILPECROGCETN-UHFFFAOYSA-N -1 1 293.706 2.903 20 0 CFADMM CO[C@@H]1CC[C@H]1N(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000724211336 770817465 /nfs/dbraw/zinc/81/74/65/770817465.db2.gz KYVJROAJZXPZLS-VXGBXAGGSA-N -1 1 283.755 2.647 20 0 CFADMM CCCC=CNc1cc(S(=O)(=O)CC)ccc1[O-] ZINC001210060371 770204170 /nfs/dbraw/zinc/20/41/70/770204170.db2.gz YHGPFHRGBDJSBP-RMKNXTFCSA-N -1 1 269.366 2.912 20 0 CFADMM Nc1ccc2[nH]c(=S)n(-c3cccc(F)c3[O-])c2c1 ZINC001210202377 770231484 /nfs/dbraw/zinc/23/14/84/770231484.db2.gz QFMXCPQTSFTROK-UHFFFAOYSA-N -1 1 275.308 2.741 20 0 CFADMM CCCn1nccc1[N-]c1nnc(-c2ccco2)o1 ZINC001210913168 770392936 /nfs/dbraw/zinc/39/29/36/770392936.db2.gz SVQAFVKCSUYYDW-UHFFFAOYSA-N -1 1 259.269 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ZINC001228186979 776417441 /nfs/dbraw/zinc/41/74/41/776417441.db2.gz XULVMIOGCXUZDX-GFCCVEGCSA-N -1 1 284.311 2.980 20 0 CFADMM O=C1CC([O-])=NC(O[C@@H](c2ccccc2)C(F)(F)F)=N1 ZINC001228389703 776478910 /nfs/dbraw/zinc/47/89/10/776478910.db2.gz FOOAVVBHYWNXPA-JTQLQIEISA-N -1 1 286.209 2.570 20 0 CFADMM S=c1nncc(O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)[n-]1 ZINC001228642591 776550823 /nfs/dbraw/zinc/55/08/23/776550823.db2.gz RKCLGGSWIJLKRG-GARJFASQSA-N -1 1 265.382 2.898 20 0 CFADMM C[C@H]1C[C@H](Oc2[n-]c(=S)nc3ccccc32)CCO1 ZINC001228764147 776601412 /nfs/dbraw/zinc/60/14/12/776601412.db2.gz GKYBHFYECOOXAQ-VHSXEESVSA-N -1 1 276.361 2.865 20 0 CFADMM CCC(=O)c1ccc([O-])cc1O[C@@H](CC)CC(=O)OC ZINC001229474974 776823953 /nfs/dbraw/zinc/82/39/53/776823953.db2.gz NYCPMYPNDSLTOZ-NSHDSACASA-N -1 1 280.320 2.705 20 0 CFADMM CCC(=O)c1ccc([O-])cc1O[C@@H](CC)COC ZINC001229474145 776824045 /nfs/dbraw/zinc/82/40/45/776824045.db2.gz BEIHCYKWVBKDLQ-NSHDSACASA-N -1 1 252.310 2.789 20 0 CFADMM O=c1cc[nH]cc1OC(=C([O-])c1ccco1)c1ccco1 ZINC001229509073 776834175 /nfs/dbraw/zinc/83/41/75/776834175.db2.gz KCGZUOJYRKXDGE-OAHLLOKOSA-N -1 1 285.255 2.564 20 0 CFADMM CCOc1cc(F)c(F)cc1[N-]c1nnc(C)o1 ZINC001211796905 776909735 /nfs/dbraw/zinc/90/97/35/776909735.db2.gz PVOLIRHTBUNLRR-UHFFFAOYSA-N -1 1 255.224 2.799 20 0 CFADMM COc1c(=O)[n-]c(C)nc1O[C@H]1CCc2cccc(C)c21 ZINC001230019493 776940971 /nfs/dbraw/zinc/94/09/71/776940971.db2.gz JSFWJGXRJZTVIO-LBPRGKRZSA-N -1 1 286.331 2.874 20 0 CFADMM COc1c(O[C@H]2C[C@H](C)C[C@H](C)C2)nc(C)[n-]c1=O ZINC001230021358 776942298 /nfs/dbraw/zinc/94/22/98/776942298.db2.gz MUSJXZDEHYSTSB-JZYVYDRUSA-N -1 1 266.341 2.703 20 0 CFADMM CC[C@@H]1CCCC[C@H]1Oc1nc(C)[n-]c(=O)c1OC ZINC001230021690 776942547 /nfs/dbraw/zinc/94/25/47/776942547.db2.gz OHHNJCLQFAXHFA-GHMZBOCLSA-N -1 1 266.341 2.847 20 0 CFADMM COc1c(=O)[n-]c(C)nc1O[C@H](C)CCc1ccccc1 ZINC001230023038 776942777 /nfs/dbraw/zinc/94/27/77/776942777.db2.gz ZYDNZUGPAZMUMI-LLVKDONJSA-N -1 1 288.347 2.899 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[O-]c1cc(F)c(-c2ccc3c(n2)NCCO3)c(F)c1 ZINC001241121097 780649982 /nfs/dbraw/zinc/64/99/82/780649982.db2.gz BIUYOBOTTVXOQB-UHFFFAOYSA-N -1 1 264.231 2.537 20 0 CFADMM CCOC(=O)Cc1ccc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241122348 780651031 /nfs/dbraw/zinc/65/10/31/780651031.db2.gz MYXAOOZLSLSZDG-UHFFFAOYSA-N -1 1 293.269 2.838 20 0 CFADMM Cc1cn2cc(-c3c(F)cc([O-])cc3F)cnc2n1 ZINC001241122729 780652510 /nfs/dbraw/zinc/65/25/10/780652510.db2.gz XIICXFOXONVTIH-UHFFFAOYSA-N -1 1 261.231 2.689 20 0 CFADMM [O-]c1cc(F)c(-c2cnc3c(c2)CCCN3)c(F)c1 ZINC001241124200 780652591 /nfs/dbraw/zinc/65/25/91/780652591.db2.gz CRVDYVDHUJLZHK-UHFFFAOYSA-N -1 1 262.259 2.733 20 0 CFADMM O=C([O-])c1ccc(-c2cc3[nH]nnc3cc2F)cc1F ZINC001241185167 780689804 /nfs/dbraw/zinc/68/98/04/780689804.db2.gz HBVCKHNFXOQZJP-UHFFFAOYSA-N -1 1 275.214 2.601 20 0 CFADMM COC(=O)c1cc(-c2c(F)ccc([O-])c2F)ncc1C ZINC001241289084 780757664 /nfs/dbraw/zinc/75/76/64/780757664.db2.gz KDHUCQLJISTJTK-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM Cc1cn(-c2ccc(-c3c(F)ccc([O-])c3F)nn2)cn1 ZINC001241289057 780757897 /nfs/dbraw/zinc/75/78/97/780757897.db2.gz ITKSEJZXSRWPDF-UHFFFAOYSA-N -1 1 288.257 2.622 20 0 CFADMM Cn1cnc2ccc(-c3c(F)ccc([O-])c3F)nc21 ZINC001241290765 780759787 /nfs/dbraw/zinc/75/97/87/780759787.db2.gz CVZHHZSDOHALPI-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM CCc1nc(C)cc(-c2c(F)ccc([O-])c2F)n1 ZINC001241289932 780759880 /nfs/dbraw/zinc/75/98/80/780759880.db2.gz GMCMDKXTKGVLQK-UHFFFAOYSA-N -1 1 250.248 2.998 20 0 CFADMM Cc1nc2cccnc2c(-c2c(F)ccc([O-])c2F)n1 ZINC001241289382 780760224 /nfs/dbraw/zinc/76/02/24/780760224.db2.gz UAQNAPUYRUBXHK-UHFFFAOYSA-N -1 1 273.242 2.984 20 0 CFADMM CCOc1ccnc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291680 780760948 /nfs/dbraw/zinc/76/09/48/780760948.db2.gz QYUMOOPLEUIDKL-UHFFFAOYSA-N -1 1 252.220 2.526 20 0 CFADMM CCCOc1ccnc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291263 780761937 /nfs/dbraw/zinc/76/19/37/780761937.db2.gz LEJZRVHJKNVSTG-UHFFFAOYSA-N -1 1 266.247 2.916 20 0 CFADMM O=c1ccc(-c2c(F)ccc([O-])c2F)nn1C1CCC1 ZINC001241294066 780764369 /nfs/dbraw/zinc/76/43/69/780764369.db2.gz JMHLDGBZXRGWKT-UHFFFAOYSA-N -1 1 278.258 2.619 20 0 CFADMM COC(=O)c1nc2ccc(-c3cc(C)cnc3OC)cc2[n-]1 ZINC001241363282 780814033 /nfs/dbraw/zinc/81/40/33/780814033.db2.gz BLNHEMMNPNMPHT-UHFFFAOYSA-N -1 1 297.314 2.729 20 0 CFADMM COC(=O)c1nc2cc(-c3cc(C)cnc3OC)ccc2[n-]1 ZINC001241363282 780814041 /nfs/dbraw/zinc/81/40/41/780814041.db2.gz BLNHEMMNPNMPHT-UHFFFAOYSA-N -1 1 297.314 2.729 20 0 CFADMM COC(=O)c1nc2cc(-c3ccc(CO)cc3)ccc2[n-]1 ZINC001241558203 780978784 /nfs/dbraw/zinc/97/87/84/780978784.db2.gz LBHBCNWEJHPPJB-UHFFFAOYSA-N -1 1 282.299 2.509 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc(CO)cc3)cc2[n-]1 ZINC001241558203 780978787 /nfs/dbraw/zinc/97/87/87/780978787.db2.gz LBHBCNWEJHPPJB-UHFFFAOYSA-N -1 1 282.299 2.509 20 0 CFADMM CCCOc1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001241591336 781001835 /nfs/dbraw/zinc/00/18/35/781001835.db2.gz SEYCMNFPVSTNPE-UHFFFAOYSA-N -1 1 281.319 2.718 20 0 CFADMM CCCOc1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001241591336 781001842 /nfs/dbraw/zinc/00/18/42/781001842.db2.gz SEYCMNFPVSTNPE-UHFFFAOYSA-N -1 1 281.319 2.718 20 0 CFADMM Cc1[nH]nc2cc(-c3cccc(S(=O)(=O)[O-])c3)ccc12 ZINC001241640356 781039452 /nfs/dbraw/zinc/03/94/52/781039452.db2.gz SENIWVHSCLDOHS-UHFFFAOYSA-N -1 1 288.328 2.785 20 0 CFADMM CSc1nc(Nc2cnn(C(C)(C)C)c2)cc(=O)[n-]1 ZINC001212567662 781073204 /nfs/dbraw/zinc/07/32/04/781073204.db2.gz KSTGYLCCQUOMHB-UHFFFAOYSA-N -1 1 279.369 2.599 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3ccc(F)cn3)cc2[n-]1 ZINC001241809565 781138904 /nfs/dbraw/zinc/13/89/04/781138904.db2.gz RWASFXRHTSSFMS-UHFFFAOYSA-N -1 1 285.278 2.941 20 0 CFADMM CCOC(=O)c1nc2cc(-c3ccc(F)cn3)ccc2[n-]1 ZINC001241809565 781138907 /nfs/dbraw/zinc/13/89/07/781138907.db2.gz RWASFXRHTSSFMS-UHFFFAOYSA-N -1 1 285.278 2.941 20 0 CFADMM COc1ccc(-c2nccc3[nH]ccc32)cc1C(=O)[O-] ZINC001241855572 781155044 /nfs/dbraw/zinc/15/50/44/781155044.db2.gz FMGRYXIWPSHDJF-UHFFFAOYSA-N -1 1 268.272 2.937 20 0 CFADMM COc1ccc(-c2cc3[nH]ccc3cn2)cc1C(=O)[O-] ZINC001241856317 781155579 /nfs/dbraw/zinc/15/55/79/781155579.db2.gz SQSXUVYKRDALLF-UHFFFAOYSA-N -1 1 268.272 2.937 20 0 CFADMM COc1cnnc(-c2cc(C(F)(F)F)ccc2[O-])c1 ZINC001242125933 781291092 /nfs/dbraw/zinc/29/10/92/781291092.db2.gz BKWLXYLAMHGBNM-UHFFFAOYSA-N -1 1 270.210 2.877 20 0 CFADMM O=C1NCc2ccnc(-c3ccc([O-])c(C(F)(F)F)c3)c21 ZINC001242151575 781303108 /nfs/dbraw/zinc/30/31/08/781303108.db2.gz QAKKQNZZDAATIR-UHFFFAOYSA-N -1 1 294.232 2.716 20 0 CFADMM [O-]c1cc(F)ccc1-c1cnc(OCc2cccnc2)nc1 ZINC001242219911 781335161 /nfs/dbraw/zinc/33/51/61/781335161.db2.gz WUMUXBXTVBGLTE-UHFFFAOYSA-N -1 1 297.289 2.962 20 0 CFADMM [O-]c1cc(F)ccc1-c1cnc(OCC2CC2)nc1 ZINC001242219848 781335482 /nfs/dbraw/zinc/33/54/82/781335482.db2.gz UCYRSKFOCLBUKF-UHFFFAOYSA-N -1 1 260.268 2.777 20 0 CFADMM O=C([O-])Cc1cccc(-c2cc(-n3ccnc3)ccn2)c1 ZINC001242263167 781348080 /nfs/dbraw/zinc/34/80/80/781348080.db2.gz VGCQHCDFXXOOKH-UHFFFAOYSA-N -1 1 279.299 2.561 20 0 CFADMM Cc1cc2c(c(C3=CCC(C)(C)CC3)n1)C(=O)[N-]C2=O ZINC001242328366 781402296 /nfs/dbraw/zinc/40/22/96/781402296.db2.gz VZWSRVXUBGPUTJ-UHFFFAOYSA-N -1 1 270.332 2.867 20 0 CFADMM CON(C)C(=O)c1c(F)cccc1-c1cccc(F)c1[O-] ZINC001242351374 781422678 /nfs/dbraw/zinc/42/26/78/781422678.db2.gz TVAIXGYUJVGOCE-UHFFFAOYSA-N -1 1 293.269 2.971 20 0 CFADMM O=c1c(-c2cccc(F)c2[O-])cccn1Cc1cccnc1 ZINC001242352980 781426769 /nfs/dbraw/zinc/42/67/69/781426769.db2.gz JFHFSAHXIXPXGQ-UHFFFAOYSA-N -1 1 296.301 2.803 20 0 CFADMM Nc1cn2ccc(-c3cccc(Cl)c3[O-])cc2n1 ZINC001242364368 781437472 /nfs/dbraw/zinc/43/74/72/781437472.db2.gz JPTBLWUAUIHTTG-UHFFFAOYSA-N -1 1 259.696 2.943 20 0 CFADMM Cc1c(C(N)=O)cncc1-c1cccc(Cl)c1[O-] ZINC001242366996 781438928 /nfs/dbraw/zinc/43/89/28/781438928.db2.gz GUCNRTPEQQYOCR-UHFFFAOYSA-N -1 1 262.696 2.515 20 0 CFADMM O=C1Cc2cc(-c3cnc4sccc4c3)ccc2C(=O)[N-]1 ZINC001242681872 781696058 /nfs/dbraw/zinc/69/60/58/781696058.db2.gz RDGVTMKYIDFARM-UHFFFAOYSA-N -1 1 294.335 2.776 20 0 CFADMM COC(=O)c1nc2cc(-c3cc(C)nc(OC)c3)ccc2[n-]1 ZINC001242748854 781742702 /nfs/dbraw/zinc/74/27/02/781742702.db2.gz YDGHXLREXZSUMK-UHFFFAOYSA-N -1 1 297.314 2.729 20 0 CFADMM COC(=O)c1nc2ccc(-c3cc(C)nc(OC)c3)cc2[n-]1 ZINC001242748854 781742705 /nfs/dbraw/zinc/74/27/05/781742705.db2.gz YDGHXLREXZSUMK-UHFFFAOYSA-N -1 1 297.314 2.729 20 0 CFADMM Cn1c(=O)ccc2ccc(-c3cccc([O-])c3Cl)nc21 ZINC001242798333 781764350 /nfs/dbraw/zinc/76/43/50/781764350.db2.gz SKLCIQNBOAIARO-UHFFFAOYSA-N -1 1 286.718 2.960 20 0 CFADMM COC(=O)c1ccnc(-c2cccc([O-])c2Cl)c1 ZINC001242799028 781764503 /nfs/dbraw/zinc/76/45/03/781764503.db2.gz QQCFSASHGOBPBL-UHFFFAOYSA-N -1 1 263.680 2.894 20 0 CFADMM COc1nc(C)cc(-c2cccc([O-])c2Cl)n1 ZINC001242798358 781764804 /nfs/dbraw/zinc/76/48/04/781764804.db2.gz UIOILCSMKNUAIA-UHFFFAOYSA-N -1 1 250.685 2.820 20 0 CFADMM COc1c(C)ncnc1-c1cccc([O-])c1Cl ZINC001242799652 781765066 /nfs/dbraw/zinc/76/50/66/781765066.db2.gz WMQHEAYHMMVXRN-UHFFFAOYSA-N -1 1 250.685 2.820 20 0 CFADMM C[C@@H]1C(=O)Nc2ncnc(-c3cccc([O-])c3Cl)c21 ZINC001242800909 781765160 /nfs/dbraw/zinc/76/51/60/781765160.db2.gz MKNJBGNVKFGLTC-LURJTMIESA-N -1 1 275.695 2.558 20 0 CFADMM O=C1NCCc2c1cccc2-c1cccc([O-])c1Cl ZINC001242800951 781765788 /nfs/dbraw/zinc/76/57/88/781765788.db2.gz QMCISYKQFIWKNH-UHFFFAOYSA-N -1 1 273.719 2.999 20 0 CFADMM Cn1ccc2nc(-c3cccc([O-])c3Cl)ncc21 ZINC001242800595 781765894 /nfs/dbraw/zinc/76/58/94/781765894.db2.gz JVIFKWKGUALCKY-UHFFFAOYSA-N -1 1 259.696 2.994 20 0 CFADMM [O-]c1cccc(-c2ccccc2-c2nn[nH]n2)c1Cl ZINC001242799585 781766058 /nfs/dbraw/zinc/76/60/58/781766058.db2.gz SWHUZTZFWSEJGL-UHFFFAOYSA-N -1 1 272.695 2.893 20 0 CFADMM O=c1ccnc2c(-c3cccc([O-])c3Cl)cccn12 ZINC001242802957 781766741 /nfs/dbraw/zinc/76/67/41/781766741.db2.gz SFJFOQMENMYJIC-UHFFFAOYSA-N -1 1 272.691 2.721 20 0 CFADMM CCNC(=O)c1cccnc1-c1cccc([O-])c1Cl ZINC001242801807 781767695 /nfs/dbraw/zinc/76/76/95/781767695.db2.gz XJVJFASCIBPKMT-UHFFFAOYSA-N -1 1 276.723 2.857 20 0 CFADMM CN(C)C(=O)c1cc(-c2cccc([O-])c2Cl)cnc1F ZINC001242802682 781767794 /nfs/dbraw/zinc/76/77/94/781767794.db2.gz FIOHZMXKHMMHMZ-UHFFFAOYSA-N -1 1 294.713 2.949 20 0 CFADMM Cc1ccc(C(N)=O)c(-c2cccc([O-])c2Cl)n1 ZINC001242801325 781767820 /nfs/dbraw/zinc/76/78/20/781767820.db2.gz OWXULWDSGJJDAL-UHFFFAOYSA-N -1 1 262.696 2.515 20 0 CFADMM COc1nnc(-c2cccc([O-])c2Cl)cc1C ZINC001242801352 781767871 /nfs/dbraw/zinc/76/78/71/781767871.db2.gz QYJSZIAAUFRLOU-UHFFFAOYSA-N -1 1 250.685 2.820 20 0 CFADMM CC(C)Cn1cc(-c2cccc([O-])c2Cl)cnc1=O ZINC001242802105 781767890 /nfs/dbraw/zinc/76/78/90/781767890.db2.gz QWGSTOGUVNNGSC-UHFFFAOYSA-N -1 1 278.739 2.925 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCCS1 ZINC000082879668 178328956 /nfs/dbraw/zinc/32/89/56/178328956.db2.gz CCFBYYKRSOOKKO-SNVBAGLBSA-N -1 1 257.742 2.880 20 0 CFADMM C[C@H]1COC(C)(C)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436733810 300331709 /nfs/dbraw/zinc/33/17/09/300331709.db2.gz XPDSVJTZBAZAPV-VIFPVBQESA-N -1 1 283.755 2.685 20 0 CFADMM CN(CC1(O)CCCC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000269850318 190559626 /nfs/dbraw/zinc/55/96/26/190559626.db2.gz DGNFDUOSBNUNHM-UHFFFAOYSA-N -1 1 299.370 2.923 20 0 CFADMM CCc1ccc(C(=O)Nc2nc(COC)cs2)c([O-])c1 ZINC000191669286 529610853 /nfs/dbraw/zinc/61/08/53/529610853.db2.gz VRQWFDAONPDVFY-UHFFFAOYSA-N -1 1 292.360 2.810 20 0 CFADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cccs2)[nH]n1 ZINC000126785717 187262062 /nfs/dbraw/zinc/26/20/62/187262062.db2.gz XVCMBKQRBNDAEU-UHFFFAOYSA-N -1 1 299.421 2.861 20 0 CFADMM CCCc1cc(C(=O)Nc2ccc(Cl)cc2[O-])n[nH]1 ZINC000153591142 539343493 /nfs/dbraw/zinc/34/34/93/539343493.db2.gz RENORDSJDVOYLK-UHFFFAOYSA-N -1 1 279.727 2.974 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](CCO)C1 ZINC000314747924 539361869 /nfs/dbraw/zinc/36/18/69/539361869.db2.gz MENVIKZDJLHLSL-ZDUSSCGKSA-N -1 1 299.370 2.780 20 0 CFADMM O=c1cc(C(F)(F)F)nc(SC[C@@H]2CCCCO2)[n-]1 ZINC000126990587 187275125 /nfs/dbraw/zinc/27/51/25/187275125.db2.gz MMLXSXBCFHHSBU-ZETCQYMHSA-N -1 1 294.298 2.862 20 0 CFADMM CC(C)Cc1nnc([N-]C(=O)c2ncccc2F)s1 ZINC000169930743 539365510 /nfs/dbraw/zinc/36/55/10/539365510.db2.gz XGEZMSKHPZZEBG-UHFFFAOYSA-N -1 1 280.328 2.523 20 0 CFADMM CO[C@H](C)c1nc(=NCCC2(CSC)CC2)s[n-]1 ZINC000596420731 349898397 /nfs/dbraw/zinc/89/83/97/349898397.db2.gz ZFWCMGZZEGDRJW-SECBINFHSA-N -1 1 287.454 2.613 20 0 CFADMM COC(=O)c1nc2cc(-c3cccc(CO)c3C)ccc2[n-]1 ZINC001243015310 781924741 /nfs/dbraw/zinc/92/47/41/781924741.db2.gz KSCYDNJJKXDULD-UHFFFAOYSA-N -1 1 296.326 2.817 20 0 CFADMM COC(=O)c1nc2ccc(-c3cccc(CO)c3C)cc2[n-]1 ZINC001243015310 781924751 /nfs/dbraw/zinc/92/47/51/781924751.db2.gz KSCYDNJJKXDULD-UHFFFAOYSA-N -1 1 296.326 2.817 20 0 CFADMM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ncccc1[O-] ZINC000127562533 187315600 /nfs/dbraw/zinc/31/56/00/187315600.db2.gz QGROOIFNIMQGJW-CQSZACIVSA-N -1 1 284.359 2.881 20 0 CFADMM C[C@](CCc1ccccc1)(NCc1ccco1)C(=O)[O-] ZINC000041759028 346355074 /nfs/dbraw/zinc/35/50/74/346355074.db2.gz UFZQWGPWUWTZOV-MRXNPFEDSA-N -1 1 273.332 2.845 20 0 CFADMM CN(CCCC(=O)[O-])Cc1ncc(-c2ccc(F)cc2)o1 ZINC000042717772 346370061 /nfs/dbraw/zinc/37/00/61/346370061.db2.gz SOUQUEJRHKWKHJ-UHFFFAOYSA-N -1 1 292.310 2.777 20 0 CFADMM COc1ccc(C(=O)Nc2ccc3[nH]c(C)nc3c2)c([O-])c1 ZINC000055228309 346585068 /nfs/dbraw/zinc/58/50/68/346585068.db2.gz BSQNBQCOZXBKMZ-UHFFFAOYSA-N -1 1 297.314 2.838 20 0 CFADMM C[C@]1(C(=O)[O-])CCN(Cc2csc(-c3ccco3)n2)C1 ZINC000062935922 346694385 /nfs/dbraw/zinc/69/43/85/346694385.db2.gz SQQPHAILRBOPGO-AWEZNQCLSA-N -1 1 292.360 2.700 20 0 CFADMM CCC(CC)c1nnc([N-]C(=O)c2ccon2)s1 ZINC000067289268 346797953 /nfs/dbraw/zinc/79/79/53/346797953.db2.gz YWHXSXQGZFYJAD-UHFFFAOYSA-N -1 1 266.326 2.682 20 0 CFADMM CCC1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000080428587 347358566 /nfs/dbraw/zinc/35/85/66/347358566.db2.gz MKOMISBEPDYFBU-UHFFFAOYSA-N -1 1 299.374 2.906 20 0 CFADMM CCC1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000080428587 347358569 /nfs/dbraw/zinc/35/85/69/347358569.db2.gz MKOMISBEPDYFBU-UHFFFAOYSA-N -1 1 299.374 2.906 20 0 CFADMM CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc(F)ccc1[O-] ZINC000080001715 347336180 /nfs/dbraw/zinc/33/61/80/347336180.db2.gz ULFJNXSHSFPSFQ-UHFFFAOYSA-N -1 1 299.305 2.680 20 0 CFADMM O=C(NCc1cc2ccccc2[nH]1)c1cc(F)ccc1[O-] ZINC000081958086 347440643 /nfs/dbraw/zinc/44/06/43/347440643.db2.gz DCVVRNJPEVXHNB-UHFFFAOYSA-N -1 1 284.290 2.943 20 0 CFADMM O=C([O-])C[C@H]1CSCCN1Cc1ccc(Cl)cc1 ZINC000091130714 347571675 /nfs/dbraw/zinc/57/16/75/347571675.db2.gz HQBNFDYTIDDRCC-LBPRGKRZSA-N -1 1 285.796 2.732 20 0 CFADMM O=C([O-])C[C@H]1CSCCN1Cc1ccccc1Cl ZINC000091131582 347571877 /nfs/dbraw/zinc/57/18/77/347571877.db2.gz DAPUHMJHWCQMBS-NSHDSACASA-N -1 1 285.796 2.732 20 0 CFADMM O=C([O-])C[C@@H]1CSCCN1Cc1cccc(Cl)c1 ZINC000091132068 347572207 /nfs/dbraw/zinc/57/22/07/347572207.db2.gz GJLBUDOIGQWIHG-GFCCVEGCSA-N -1 1 285.796 2.732 20 0 CFADMM c1nn(C[C@H]2CCCO2)cc1[N-]c1nc(C2CC2)ns1 ZINC000092612620 347635337 /nfs/dbraw/zinc/63/53/37/347635337.db2.gz XZMOHDOONDVUAY-LLVKDONJSA-N -1 1 291.380 2.535 20 0 CFADMM CCc1nsc([N-]c2cnn(CC(C)C)c2)n1 ZINC000092658399 347638066 /nfs/dbraw/zinc/63/80/66/347638066.db2.gz JRFKXOCAUNUHRZ-UHFFFAOYSA-N -1 1 251.359 2.697 20 0 CFADMM CCC(CC)n1ccc(CN2CC[C@H](C(=O)[O-])[C@@H]2C)n1 ZINC000092926728 347651739 /nfs/dbraw/zinc/65/17/39/347651739.db2.gz MCWNVQHOUIJGIP-FZMZJTMJSA-N -1 1 279.384 2.539 20 0 CFADMM CC(C)(O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000092929762 347652274 /nfs/dbraw/zinc/65/22/74/347652274.db2.gz ZCWVQPKPADBEAX-OAHLLOKOSA-N -1 1 299.370 2.921 20 0 CFADMM CCN(Cc1cccs1)Cc1ccc(C(=O)[O-])cn1 ZINC000094762382 347696027 /nfs/dbraw/zinc/69/60/27/347696027.db2.gz ZZOPHDJJJBTXJO-UHFFFAOYSA-N -1 1 276.361 2.863 20 0 CFADMM CC(C)(C)c1csc(CN2CCC[C@H]2CC(=O)[O-])n1 ZINC000094969301 347697580 /nfs/dbraw/zinc/69/75/80/347697580.db2.gz OOTMZCOCOOYPHM-JTQLQIEISA-N -1 1 282.409 2.880 20 0 CFADMM Cc1csc(CN2CCC(CCC(=O)[O-])CC2)n1 ZINC000094969355 347697690 /nfs/dbraw/zinc/69/76/90/347697690.db2.gz TYKBELHHTFGBIH-UHFFFAOYSA-N -1 1 268.382 2.528 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1 ZINC000107328492 347734718 /nfs/dbraw/zinc/73/47/18/347734718.db2.gz RQOLCCRLHHCSSL-UHFFFAOYSA-N -1 1 293.392 2.816 20 0 CFADMM O=S(=O)(CCC1CC1)[N-]c1ccccc1OC(F)F ZINC000129946257 347865724 /nfs/dbraw/zinc/86/57/24/347865724.db2.gz WIXLGTOGFQGXRB-UHFFFAOYSA-N -1 1 291.319 2.830 20 0 CFADMM O=C(NCCCC1CC1)c1ccc(Cl)cc1[O-] ZINC000134796936 347901436 /nfs/dbraw/zinc/90/14/36/347901436.db2.gz QUMRDJWBUPKIOB-UHFFFAOYSA-N -1 1 253.729 2.966 20 0 CFADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ncc[nH]1 ZINC000139752113 347922550 /nfs/dbraw/zinc/92/25/50/347922550.db2.gz LNALMZYSNYSMSK-SNVBAGLBSA-N -1 1 281.315 2.760 20 0 CFADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2c(F)cccc2F)C1 ZINC000150077267 347954870 /nfs/dbraw/zinc/95/48/70/347954870.db2.gz OICNSMMNXCAWEA-NXEZZACHSA-N -1 1 269.291 2.507 20 0 CFADMM C[C@@H](c1ccc2ccccc2c1)N1CCO[C@H](C(=O)[O-])C1 ZINC000086806075 179337984 /nfs/dbraw/zinc/33/79/84/179337984.db2.gz OONZMMNYNDKUPL-LRDDRELGSA-N -1 1 285.343 2.686 20 0 CFADMM C[C@@H](c1cccc2ccccc21)N1CCO[C@H](C(=O)[O-])C1 ZINC000086805968 179338179 /nfs/dbraw/zinc/33/81/79/179338179.db2.gz DPLRRLWUEGLQLP-LRDDRELGSA-N -1 1 285.343 2.686 20 0 CFADMM CC[C@H]1CN(Cc2cc(C(=O)[O-])c(C)o2)CCS1 ZINC000157716485 348002390 /nfs/dbraw/zinc/00/23/90/348002390.db2.gz VMFDYZFVJHUTNU-NSHDSACASA-N -1 1 269.366 2.614 20 0 CFADMM CCc1ccc(CN2CCCCC[C@H]2C(=O)[O-])o1 ZINC000086814504 179342694 /nfs/dbraw/zinc/34/26/94/179342694.db2.gz HEHOMYXRQPWTSJ-ZDUSSCGKSA-N -1 1 251.326 2.671 20 0 CFADMM CC[C@H](CSC)[N@@H+](C)Cc1cc(C(=O)[O-])oc1C ZINC000167728251 348045646 /nfs/dbraw/zinc/04/56/46/348045646.db2.gz LELSUMBMLFYFII-LLVKDONJSA-N -1 1 271.382 2.860 20 0 CFADMM Cc1cc(F)ccc1C[C@@H](C)NC(=O)c1cncc([O-])c1 ZINC000617320265 352536989 /nfs/dbraw/zinc/53/69/89/352536989.db2.gz MJLIQBCIUDKYMX-LLVKDONJSA-N -1 1 288.322 2.596 20 0 CFADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)C[C@@H](C)S1 ZINC000235353251 348227330 /nfs/dbraw/zinc/22/73/30/348227330.db2.gz OUKBJGSCRAVTOU-NXEZZACHSA-N -1 1 283.368 2.850 20 0 CFADMM CC1(C)C(CNC(=O)c2c([O-])cccc2F)C1(C)C ZINC000232773907 348213070 /nfs/dbraw/zinc/21/30/70/348213070.db2.gz MVHMKGSYPYKBIM-UHFFFAOYSA-N -1 1 265.328 2.943 20 0 CFADMM C[C@H]1CN(Cc2cc(F)c(F)c(F)c2)CC[C@H]1C(=O)[O-] ZINC000380308518 348523477 /nfs/dbraw/zinc/52/34/77/348523477.db2.gz UKDRXEJAEYQKCM-WCBMZHEXSA-N -1 1 287.281 2.647 20 0 CFADMM CO[C@@H](C)c1nc(=NC[C@H]2CC3CCC2CC3)s[n-]1 ZINC000400110021 348571962 /nfs/dbraw/zinc/57/19/62/348571962.db2.gz JQESUFSCJCOWNH-WNYYMSAVSA-N -1 1 281.425 2.906 20 0 CFADMM Cc1nnc(SCC(=O)c2ccc([O-])cc2)n1C(C)C ZINC000584874745 348724096 /nfs/dbraw/zinc/72/40/96/348724096.db2.gz AZTPAUVCODAMLK-UHFFFAOYSA-N -1 1 291.376 2.848 20 0 CFADMM C[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)C1CC1 ZINC000231328842 539671624 /nfs/dbraw/zinc/67/16/24/539671624.db2.gz OVBJKYDDEZUFEO-QMMMGPOBSA-N -1 1 298.180 2.931 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H](CCO)C1 ZINC000318973555 539672364 /nfs/dbraw/zinc/67/23/64/539672364.db2.gz ZLSQXBGZDIAZAS-CYBMUJFWSA-N -1 1 299.370 2.780 20 0 CFADMM O=C(Nc1c(O)cccc1F)c1cc(F)ccc1[O-] ZINC000092551471 539680253 /nfs/dbraw/zinc/68/02/53/539680253.db2.gz GZODQFLGMPIKBZ-UHFFFAOYSA-N -1 1 265.215 2.628 20 0 CFADMM CC(C)OC(=O)[C@@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000590353916 348896249 /nfs/dbraw/zinc/89/62/49/348896249.db2.gz MVCGAXZBWRKUDL-LBPRGKRZSA-N -1 1 297.782 2.962 20 0 CFADMM COCc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000591727147 349040235 /nfs/dbraw/zinc/04/02/35/349040235.db2.gz ZWLHFZLQMCPOSZ-UHFFFAOYSA-N -1 1 284.290 2.876 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)C2(C)CCCCCC2)n1 ZINC000591302713 349006075 /nfs/dbraw/zinc/00/60/75/349006075.db2.gz URZHENORXIBBRI-UHFFFAOYSA-N -1 1 293.367 2.885 20 0 CFADMM CC(=O)c1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000591726028 349040162 /nfs/dbraw/zinc/04/01/62/349040162.db2.gz CHBVPBQDMQDHEW-UHFFFAOYSA-N -1 1 282.274 2.932 20 0 CFADMM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000104761150 186021315 /nfs/dbraw/zinc/02/13/15/186021315.db2.gz YVHZQGNWIQAMMV-CBAPKCEASA-N -1 1 293.310 2.571 20 0 CFADMM C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])C[C@H]1C ZINC000091438995 180156008 /nfs/dbraw/zinc/15/60/08/180156008.db2.gz PIZOPKVRIZUSEQ-RKDXNWHRSA-N -1 1 298.180 2.883 20 0 CFADMM COc1ccc2nc(-c3cscc3C)[n-]c(=O)c2c1 ZINC000132832504 539795213 /nfs/dbraw/zinc/79/52/13/539795213.db2.gz IBURICKNIKPVNS-UHFFFAOYSA-N -1 1 272.329 2.969 20 0 CFADMM O=C(CSC[C@@H]1CCCCO1)Nc1cccc(F)c1[O-] ZINC000600443597 350556408 /nfs/dbraw/zinc/55/64/08/350556408.db2.gz FKSORKUIFXGJDJ-JTQLQIEISA-N -1 1 299.367 2.772 20 0 CFADMM C[C@@H](c1ccccc1F)N(C)C(=O)c1cncc([O-])c1 ZINC000109041418 186240612 /nfs/dbraw/zinc/24/06/12/186240612.db2.gz KVJIMLXPCAMULP-JTQLQIEISA-N -1 1 274.295 2.760 20 0 CFADMM COc1cccc([C@H]2CCCN2C(=O)c2cncc([O-])c2)c1 ZINC000109042365 186240861 /nfs/dbraw/zinc/24/08/61/186240861.db2.gz DGGXUVUXFAPQIS-MRXNPFEDSA-N -1 1 298.342 2.773 20 0 CFADMM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cncc([O-])c1 ZINC000109042418 186241385 /nfs/dbraw/zinc/24/13/85/186241385.db2.gz YOZFSIWAPBRYAF-VIFPVBQESA-N -1 1 292.285 2.899 20 0 CFADMM CCC(=O)Nc1ccc(C)c(NC(=O)c2cncc([O-])c2)c1 ZINC000109042687 186241522 /nfs/dbraw/zinc/24/15/22/186241522.db2.gz NZWIMAGGCLETQG-UHFFFAOYSA-N -1 1 299.330 2.696 20 0 CFADMM O=C(Nc1ccncc1[O-])c1ccccc1Br ZINC000109891343 186278660 /nfs/dbraw/zinc/27/86/60/186278660.db2.gz OPQCPCVYPIUINL-UHFFFAOYSA-N -1 1 293.120 2.802 20 0 CFADMM Cc1cnc(S[C@@H](C(=O)OC(C)(C)C)C2CC2)[n-]c1=O ZINC000601083801 350663048 /nfs/dbraw/zinc/66/30/48/350663048.db2.gz NPBSMKKUYMYJKC-SNVBAGLBSA-N -1 1 296.392 2.703 20 0 CFADMM CCCCc1cc(=O)n(-c2ccc(C(=O)OC)c(F)c2)[n-]1 ZINC000601950173 350816929 /nfs/dbraw/zinc/81/69/29/350816929.db2.gz WVDURCKZUZRCMS-UHFFFAOYSA-N -1 1 292.310 2.895 20 0 CFADMM O=C(Nc1ccc(-c2cnco2)cc1)c1cncc([O-])c1 ZINC000111775377 186455473 /nfs/dbraw/zinc/45/54/73/186455473.db2.gz UDTBNGLDWGKGIV-UHFFFAOYSA-N -1 1 281.271 2.695 20 0 CFADMM COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)nc1 ZINC000607945358 351379444 /nfs/dbraw/zinc/37/94/44/351379444.db2.gz SGSRWXHHWQNKOH-UHFFFAOYSA-N -1 1 298.302 2.634 20 0 CFADMM O=C(c1cncc([O-])c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000608478399 351440226 /nfs/dbraw/zinc/44/02/26/351440226.db2.gz AZRKDXZDUCAPOB-CQSZACIVSA-N -1 1 272.279 2.514 20 0 CFADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1c(O)cccc1F ZINC000608342138 351422079 /nfs/dbraw/zinc/42/20/79/351422079.db2.gz JMFWQWKKJOPWSE-UHFFFAOYSA-N -1 1 299.298 2.780 20 0 CFADMM Cn1cc(Cl)cc1C(=O)Nc1c([O-])cccc1F ZINC000608366843 351425492 /nfs/dbraw/zinc/42/54/92/351425492.db2.gz ODDFOEHWXRKSJU-UHFFFAOYSA-N -1 1 268.675 2.776 20 0 CFADMM C[C@@H](Oc1ccccc1)C(=O)Nc1c([O-])cccc1F ZINC000608366184 351425536 /nfs/dbraw/zinc/42/55/36/351425536.db2.gz FQAPTEKCGXSZIJ-SNVBAGLBSA-N -1 1 275.279 2.937 20 0 CFADMM O=c1cc(C2CC2)nc(SC[C@@H]2CCC[C@@H](O)C2)[n-]1 ZINC000291582176 198042460 /nfs/dbraw/zinc/04/24/60/198042460.db2.gz GGQDFEDVFNUXIV-MWLCHTKSSA-N -1 1 280.393 2.703 20 0 CFADMM C[C@@H]1CC[C@H](C)N1C(=O)c1ncc2ccccc2c1[O-] ZINC000612311065 351800778 /nfs/dbraw/zinc/80/07/78/351800778.db2.gz POEIOBUTBUDXPK-PHIMTYICSA-N -1 1 270.332 2.953 20 0 CFADMM Cc1ccc([C@@H](C)N(C)C(=O)c2ncccc2[O-])cc1 ZINC000122799303 187051974 /nfs/dbraw/zinc/05/19/74/187051974.db2.gz HIAJVFMBOCTQEE-GFCCVEGCSA-N -1 1 270.332 2.929 20 0 CFADMM O=C(c1ncc2ccccc2c1[O-])N1CC[C@@H](C2CC2)C1 ZINC000613139285 351902755 /nfs/dbraw/zinc/90/27/55/351902755.db2.gz LLIHKHKRLHDDND-CYBMUJFWSA-N -1 1 282.343 2.813 20 0 CFADMM CCSCC[C@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000613510459 351972562 /nfs/dbraw/zinc/97/25/62/351972562.db2.gz FQKJAJJYOOAIPL-VIFPVBQESA-N -1 1 271.357 2.793 20 0 CFADMM C[S@@](=O)c1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000613508172 351972792 /nfs/dbraw/zinc/97/27/92/351972792.db2.gz GOTIKGXOTPOZNC-HXUWFJFHSA-N -1 1 293.319 2.521 20 0 CFADMM CCc1c(C)[n-]n(Cc2ccc(F)c(F)c2)c1=O ZINC000614187131 352058876 /nfs/dbraw/zinc/05/88/76/352058876.db2.gz QOVIKRRHVBTKRT-JTQLQIEISA-N -1 1 252.264 2.709 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccc2c1CCCC2 ZINC000615219625 352168171 /nfs/dbraw/zinc/16/81/71/352168171.db2.gz SMWQUWZVUWEYBM-UHFFFAOYSA-N -1 1 271.320 2.555 20 0 CFADMM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000615222158 352169851 /nfs/dbraw/zinc/16/98/51/352169851.db2.gz QZIPOKFBVARNNZ-QWHCGFSZSA-N -1 1 285.347 2.728 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000615222693 352169915 /nfs/dbraw/zinc/16/99/15/352169915.db2.gz UFOTXUPLEKLHPC-QJPTWQEYSA-N -1 1 277.368 2.969 20 0 CFADMM CSc1ccc([O-])c(C(=O)N(C)c2nnc(C)s2)c1 ZINC000615046938 352148143 /nfs/dbraw/zinc/14/81/43/352148143.db2.gz OUBKCARXEUFEDL-UHFFFAOYSA-N -1 1 295.389 2.551 20 0 CFADMM CC[C@H](Cc1ccc(F)cc1)NC(=O)c1cncc([O-])c1 ZINC000617169496 352503937 /nfs/dbraw/zinc/50/39/37/352503937.db2.gz OJUPLHGZJZRFBY-CQSZACIVSA-N -1 1 288.322 2.677 20 0 CFADMM COc1cc(C(=O)N[C@@]23C[C@@H]2CCC3)cc(Cl)c1[O-] ZINC000617203137 352512511 /nfs/dbraw/zinc/51/25/11/352512511.db2.gz YFECZWCIQZOYIX-XPTSAGLGSA-N -1 1 281.739 2.727 20 0 CFADMM O=C(N[C@]12C[C@H]1CCC2)c1ncc2ccccc2c1[O-] ZINC000617219247 352519881 /nfs/dbraw/zinc/51/98/81/352519881.db2.gz XCZPDRDQERHCJC-BDJLRTHQSA-N -1 1 268.316 2.613 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCCC2(CCCC2)CC1 ZINC000617563521 352586763 /nfs/dbraw/zinc/58/67/63/352586763.db2.gz UKJXCGVYMSNGEW-UHFFFAOYSA-N -1 1 274.364 2.974 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H](C)C1=O ZINC000618093105 352715275 /nfs/dbraw/zinc/71/52/75/352715275.db2.gz OZUDMFIHTKCXSW-VXGBXAGGSA-N -1 1 297.354 2.843 20 0 CFADMM C[C@@H]1COC2(CCC2)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000617951228 352680678 /nfs/dbraw/zinc/68/06/78/352680678.db2.gz WAVRRUMUXCIFEW-SNVBAGLBSA-N -1 1 295.766 2.829 20 0 CFADMM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1c(F)ccc([O-])c1F ZINC000618497904 352788108 /nfs/dbraw/zinc/78/81/08/352788108.db2.gz HKJFFRKPICYBQE-UTLUCORTSA-N -1 1 281.302 2.836 20 0 CFADMM CC1(C)[C@H](CNC(=O)c2ccc([O-])c(F)c2)C1(F)F ZINC000619385876 353011501 /nfs/dbraw/zinc/01/15/01/353011501.db2.gz BAJNEJMMXUKHKX-JTQLQIEISA-N -1 1 273.254 2.552 20 0 CFADMM C[C@@H](c1ccco1)N(C(=O)c1ncccc1[O-])C1CC1 ZINC000153646491 188095326 /nfs/dbraw/zinc/09/53/26/188095326.db2.gz NGIRBLPJVGUSIP-JTQLQIEISA-N -1 1 272.304 2.746 20 0 CFADMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)CCCCF ZINC000292418248 198281233 /nfs/dbraw/zinc/28/12/33/198281233.db2.gz CAQGRUKBQLYBTE-UHFFFAOYSA-N -1 1 280.752 2.535 20 0 CFADMM CC(C)c1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cn1 ZINC000154889154 188168568 /nfs/dbraw/zinc/16/85/68/188168568.db2.gz NDMPVGYUFWNCLE-UHFFFAOYSA-N -1 1 299.256 2.594 20 0 CFADMM CN(C[C@H]1CC1(C)C)C(=O)c1c([O-])cccc1F ZINC000621043858 353266363 /nfs/dbraw/zinc/26/63/63/353266363.db2.gz LYDLWAOYWDYHRD-SECBINFHSA-N -1 1 251.301 2.649 20 0 CFADMM CC(C)CC(=O)Nc1nc(Br)ccc1[O-] ZINC000156351979 188257472 /nfs/dbraw/zinc/25/74/72/188257472.db2.gz DMSJYYHVAKJLNS-UHFFFAOYSA-N -1 1 273.130 2.534 20 0 CFADMM CC1(C)C[C@@H](NC(=O)c2ccc([O-])cc2F)C(C)(C)O1 ZINC000155722351 188223428 /nfs/dbraw/zinc/22/34/28/188223428.db2.gz DMZNAIKPVMVMLZ-GFCCVEGCSA-N -1 1 281.327 2.607 20 0 CFADMM Cc1nc(-c2ccc(NCC3CC(C)C3)nc2)[n-]c(=O)c1C ZINC000621353590 353335267 /nfs/dbraw/zinc/33/52/67/353335267.db2.gz ZBOBTKWHYLVBFL-UHFFFAOYSA-N -1 1 298.390 2.741 20 0 CFADMM O=C(CCCF)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000621957872 353453344 /nfs/dbraw/zinc/45/33/44/353453344.db2.gz JUEQFDDFXJYQGX-UHFFFAOYSA-N -1 1 298.705 2.519 20 0 CFADMM O=C(CCCF)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000621957872 353453348 /nfs/dbraw/zinc/45/33/48/353453348.db2.gz JUEQFDDFXJYQGX-UHFFFAOYSA-N -1 1 298.705 2.519 20 0 CFADMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)CCC1CC1 ZINC000292735225 198392686 /nfs/dbraw/zinc/39/26/86/198392686.db2.gz ZRYWSSBRMVLZGR-UHFFFAOYSA-N -1 1 274.773 2.585 20 0 CFADMM C[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H]1CO ZINC000622233005 353505963 /nfs/dbraw/zinc/50/59/63/353505963.db2.gz CRTITSNETRSHFA-GXTWGEPZSA-N -1 1 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NC(=O)[C@H]1Cc2ccccc2N(C(=O)c2ccccc2[O-])C1 ZINC000335837916 283267732 /nfs/dbraw/zinc/26/77/32/283267732.db2.gz IQCVDPJESJUJBQ-LBPRGKRZSA-N -1 1 296.326 2.747 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](CO)CC1 ZINC000336148216 540285404 /nfs/dbraw/zinc/28/54/04/540285404.db2.gz IFJRLWDRRZWMJA-CYBMUJFWSA-N -1 1 299.370 2.780 20 0 CFADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H]1C ZINC000294357087 199010323 /nfs/dbraw/zinc/01/03/23/199010323.db2.gz WYJFGNOZHMFORS-SFYZADRCSA-N -1 1 273.254 2.891 20 0 CFADMM Cc1c(=O)[n-]c(SC[C@@H](C)CO)nc1-c1ccccc1 ZINC000681022995 540320603 /nfs/dbraw/zinc/32/06/03/540320603.db2.gz DXZNFHFQSQHGLV-JTQLQIEISA-N -1 1 290.388 2.878 20 0 CFADMM O=C(Cc1ccco1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000340556161 540339295 /nfs/dbraw/zinc/33/92/95/540339295.db2.gz GBSHYALWMHRLSD-UHFFFAOYSA-N -1 1 283.287 2.557 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](O)CC1 ZINC000294722670 199152184 /nfs/dbraw/zinc/15/21/84/199152184.db2.gz HMBBPCUXMBLZHO-CYBMUJFWSA-N -1 1 285.343 2.532 20 0 CFADMM O=C([O-])c1coc(NCc2ccc(C3CCC3)cc2)n1 ZINC000572163803 540428905 /nfs/dbraw/zinc/42/89/05/540428905.db2.gz BCJHVSWDAAVOSD-UHFFFAOYSA-N -1 1 272.304 2.674 20 0 CFADMM CCOc1cc(C(=O)NOC(C)C)cc(Cl)c1[O-] ZINC000297180500 200106480 /nfs/dbraw/zinc/10/64/80/200106480.db2.gz LAJMEWLBKCBELG-UHFFFAOYSA-N -1 1 273.716 2.514 20 0 CFADMM CCCN(C)Cc1cc(C(=O)[O-])ccc1Br ZINC000675074281 540672131 /nfs/dbraw/zinc/67/21/31/540672131.db2.gz ZFDNUDOPWLYFBD-UHFFFAOYSA-N -1 1 286.169 2.989 20 0 CFADMM CCC[C@H](NC(=O)c1cccc2ccccc21)c1nn[n-]n1 ZINC000176772786 189008641 /nfs/dbraw/zinc/00/86/41/189008641.db2.gz WDAHAVCJWZMMHC-AWEZNQCLSA-N -1 1 295.346 2.624 20 0 CFADMM CC1(C(=O)[O-])CCN(Cc2nc3ccccc3s2)CC1 ZINC000062844028 540840390 /nfs/dbraw/zinc/84/03/90/540840390.db2.gz NSYXWYXYIIQQPT-UHFFFAOYSA-N -1 1 290.388 2.983 20 0 CFADMM C[C@@H]1C[C@@H]1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871621 540887386 /nfs/dbraw/zinc/88/73/86/540887386.db2.gz ONFFBVOVLKZPDW-VXNVDRBHSA-N -1 1 273.254 2.797 20 0 CFADMM CCCc1nc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)cs1 ZINC000388568699 540923936 /nfs/dbraw/zinc/92/39/36/540923936.db2.gz RIUPCIXKXRTMMG-ZYHUDNBSSA-N -1 1 282.409 2.638 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H](OCC2CC2)C1 ZINC000681747936 541009530 /nfs/dbraw/zinc/00/95/30/541009530.db2.gz HMUDQLAAWDKZFL-ZDUSSCGKSA-N -1 1 293.338 2.563 20 0 CFADMM CC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000180744961 189272766 /nfs/dbraw/zinc/27/27/66/189272766.db2.gz MHWKKQBJVKAWMJ-LBPRGKRZSA-N -1 1 298.770 2.535 20 0 CFADMM Cc1nc(-c2ccc(N3C[C@H](C)[C@H](C)C3)nc2)[n-]c(=O)c1C ZINC000301412899 201000793 /nfs/dbraw/zinc/00/07/93/201000793.db2.gz AVRIUHTYGCGTBR-PHIMTYICSA-N -1 1 298.390 2.953 20 0 CFADMM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cncc([O-])c1 ZINC000267078689 283674551 /nfs/dbraw/zinc/67/45/51/283674551.db2.gz BZICNTDODTXSPX-SMDDNHRTSA-N -1 1 262.353 2.828 20 0 CFADMM CCN(Cc1ccoc1)Cc1cccc(C(=O)[O-])c1 ZINC000666573598 541111427 /nfs/dbraw/zinc/11/14/27/541111427.db2.gz XMYIVMFFHDOWEZ-UHFFFAOYSA-N -1 1 259.305 3.000 20 0 CFADMM Cc1ccc(CN(C)Cc2cccc(C(=O)[O-])c2)nc1 ZINC000666576022 541112476 /nfs/dbraw/zinc/11/24/76/541112476.db2.gz NNBWHGJMYVGEKT-UHFFFAOYSA-N -1 1 270.332 2.720 20 0 CFADMM Cc1ccccc1CN[C@H](C(=O)[O-])c1cccs1 ZINC000426787053 239264976 /nfs/dbraw/zinc/26/49/76/239264976.db2.gz AKHVBLDZQZOBBZ-ZDUSSCGKSA-N -1 1 261.346 2.972 20 0 CFADMM Cc1cc(F)ccc1CNCc1cc(C(=O)[O-])co1 ZINC000426687309 239249276 /nfs/dbraw/zinc/24/92/76/239249276.db2.gz JVILAORVFFJTPB-UHFFFAOYSA-N -1 1 263.268 2.715 20 0 CFADMM CCN(C)c1cc(C)nc(-c2ccc(F)c([O-])c2)n1 ZINC001243049096 781954701 /nfs/dbraw/zinc/95/47/01/781954701.db2.gz HUGWXVBJQUNLPB-UHFFFAOYSA-N -1 1 261.300 2.753 20 0 CFADMM C[C@H]1c2cc(F)cc(F)c2CCN1CCCC(=O)[O-] ZINC000262221242 291314215 /nfs/dbraw/zinc/31/42/15/291314215.db2.gz KLNVYEVKWOISNP-VIFPVBQESA-N -1 1 269.291 2.749 20 0 CFADMM Cc1cnc(-c2ccc(F)c([O-])c2)nc1N1CCCC1 ZINC001243052263 781957663 /nfs/dbraw/zinc/95/76/63/781957663.db2.gz UJUFBVDNLQQSDK-UHFFFAOYSA-N -1 1 273.311 2.897 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCC2(CCOCC2)CC1 ZINC000671914497 541410031 /nfs/dbraw/zinc/41/00/31/541410031.db2.gz CTXIPODODWDSLI-UHFFFAOYSA-N -1 1 293.338 2.564 20 0 CFADMM Cc1cnc(C(=O)N(C)Cc2cc(C)cc(C)c2)c([O-])c1 ZINC000434339729 240223389 /nfs/dbraw/zinc/22/33/89/240223389.db2.gz AXHKHHGZOHULIL-UHFFFAOYSA-N -1 1 284.359 2.985 20 0 CFADMM Clc1ccc(SCc2nn[n-]n2)cc1Cl ZINC000435231898 240297538 /nfs/dbraw/zinc/29/75/38/240297538.db2.gz GXTVNUHUCMPCPE-UHFFFAOYSA-N -1 1 261.137 2.799 20 0 CFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C)sc1C ZINC000434959500 240278913 /nfs/dbraw/zinc/27/89/13/240278913.db2.gz VBOPDFOJAVAZSN-LDYMZIIASA-N -1 1 288.438 2.617 20 0 CFADMM CC(C)(CF)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436920576 240520784 /nfs/dbraw/zinc/52/07/84/240520784.db2.gz HEJJTAFAYCDXBA-UHFFFAOYSA-N -1 1 279.233 2.889 20 0 CFADMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000444212701 241127598 /nfs/dbraw/zinc/12/75/98/241127598.db2.gz AJKXSEDHLLPIQR-RKDXNWHRSA-N -1 1 291.775 2.946 20 0 CFADMM C[C@@H](C(=O)Nc1ccc(F)cc1[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444240111 241130605 /nfs/dbraw/zinc/13/06/05/241130605.db2.gz CEIOYFLOMKFNEZ-AXFHLTTASA-N -1 1 280.343 2.731 20 0 CFADMM CCOc1cccc(NC(=O)c2cc(F)ccc2[O-])n1 ZINC000674326638 541559359 /nfs/dbraw/zinc/55/93/59/541559359.db2.gz PSSVWBCZBWFTGY-UHFFFAOYSA-N -1 1 276.267 2.577 20 0 CFADMM CCN(CC)[C@@H](CN=c1[n-]nc(C(C)C)o1)c1ccco1 ZINC000450288376 242343829 /nfs/dbraw/zinc/34/38/29/242343829.db2.gz TYWGEISYAVBGFN-LBPRGKRZSA-N -1 1 292.383 2.703 20 0 CFADMM CC(C)O[C@]1(C(=O)Nc2ccc([O-])c(Cl)c2)CCOC1 ZINC000450295020 242344924 /nfs/dbraw/zinc/34/49/24/242344924.db2.gz UJFLHVUNEXQLSI-CQSZACIVSA-N -1 1 299.754 2.568 20 0 CFADMM CC1(C)CN(C(=O)c2cncc([O-])c2)c2ccccc21 ZINC000675148195 541619995 /nfs/dbraw/zinc/61/99/95/541619995.db2.gz FAQHCJWUYSCQLR-UHFFFAOYSA-N -1 1 268.316 2.725 20 0 CFADMM CC(=O)c1[n-]c(=NCc2cccs2)sc1C ZINC000450218104 242312388 /nfs/dbraw/zinc/31/23/88/242312388.db2.gz SIWPJDYCYMHQDC-UHFFFAOYSA-N -1 1 252.364 2.750 20 0 CFADMM O=C(NCCCC1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000452210598 243086815 /nfs/dbraw/zinc/08/68/15/243086815.db2.gz WQSUACRWHXJERC-UHFFFAOYSA-N -1 1 297.782 2.982 20 0 CFADMM CCC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)C(C)(C)C ZINC000452668391 243258425 /nfs/dbraw/zinc/25/84/25/243258425.db2.gz IHTPKMNPZZCAQB-ZDUSSCGKSA-N -1 1 277.364 2.906 20 0 CFADMM CCC(C)(C)NC(=O)[C@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000330675809 203105771 /nfs/dbraw/zinc/10/57/71/203105771.db2.gz JNYYHEDCJDEAFE-JTQLQIEISA-N -1 1 297.424 2.584 20 0 CFADMM CC/C=C/CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000456111490 244077957 /nfs/dbraw/zinc/07/79/57/244077957.db2.gz YPFWRDPUPOVLFA-SNAWJCMRSA-N -1 1 269.728 2.750 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1csc(NC2CC2)n1 ZINC000676151595 541730337 /nfs/dbraw/zinc/73/03/37/541730337.db2.gz PGNROHURVPATOK-UHFFFAOYSA-N -1 1 293.323 2.814 20 0 CFADMM CC(C)[C@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)[C@H]1C(C)C ZINC000456318643 244138203 /nfs/dbraw/zinc/13/82/03/244138203.db2.gz FSMIBZHXHDLMNF-CABCVRRESA-N -1 1 289.375 2.714 20 0 CFADMM C[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)C(F)(F)F ZINC000456762109 244281181 /nfs/dbraw/zinc/28/11/81/244281181.db2.gz AIHVALKXWHCBJP-BYPYZUCNSA-N -1 1 269.169 2.807 20 0 CFADMM CC[C@@H]1CC[C@H](C)N(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000456816715 244292721 /nfs/dbraw/zinc/29/27/21/244292721.db2.gz HGFKSDBTLXOZEY-WDEREUQCSA-N -1 1 293.436 2.790 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1cccc2[nH]cnc21 ZINC000676630899 541772825 /nfs/dbraw/zinc/77/28/25/541772825.db2.gz GWMWXDOTAQHHJV-UHFFFAOYSA-N -1 1 271.251 2.660 20 0 CFADMM Cc1[nH]nc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1[O-] ZINC000676631445 541773593 /nfs/dbraw/zinc/77/35/93/541773593.db2.gz VABNUNIXIRQFKJ-UHFFFAOYSA-N -1 1 298.302 2.695 20 0 CFADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ncc(C)cc2[O-])C1 ZINC000330892273 203360507 /nfs/dbraw/zinc/36/05/07/203360507.db2.gz XPGFURCWBPBRQH-NEPJUHHUSA-N -1 1 294.420 2.842 20 0 CFADMM CCCCc1nnc(NC(=O)c2ccccc2[O-])s1 ZINC000003076983 371771071 /nfs/dbraw/zinc/77/10/71/371771071.db2.gz PREQVTWRQGNNGT-UHFFFAOYSA-N -1 1 277.349 2.839 20 0 CFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1Cl ZINC000003311016 371789226 /nfs/dbraw/zinc/78/92/26/371789226.db2.gz QWQYWBAUAPQAQD-UHFFFAOYSA-N -1 1 290.632 2.729 20 0 CFADMM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000016755054 372120057 /nfs/dbraw/zinc/12/00/57/372120057.db2.gz NXQHSIPQYCHZGJ-NSHDSACASA-N -1 1 257.692 2.701 20 0 CFADMM O=C(Nc1nc(C2CC2)cs1)c1ccccc1[O-] ZINC000025559990 372303259 /nfs/dbraw/zinc/30/32/59/372303259.db2.gz VULNPMHYDUPNQM-UHFFFAOYSA-N -1 1 260.318 2.978 20 0 CFADMM C[C@@H]1C[C@@H]1CNC(=O)c1cc(Br)ccc1[O-] ZINC000032746786 372459705 /nfs/dbraw/zinc/45/97/05/372459705.db2.gz XSAPFDQOHUJEPM-HTQZYQBOSA-N -1 1 284.153 2.541 20 0 CFADMM O=C([O-])C[C@H]1CCCN1Cc1csc(-c2ccco2)n1 ZINC000042162935 372878497 /nfs/dbraw/zinc/87/84/97/372878497.db2.gz VCCOZLUBJGLMTE-LLVKDONJSA-N -1 1 292.360 2.842 20 0 CFADMM C[C@H](CN(C)Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000042706144 372948130 /nfs/dbraw/zinc/94/81/30/372948130.db2.gz PIJFTOMGYJCGLY-MRVPVSSYSA-N -1 1 259.708 2.632 20 0 CFADMM CN(CCCC(=O)[O-])Cc1csc(-c2ccco2)n1 ZINC000042716515 372950630 /nfs/dbraw/zinc/95/06/30/372950630.db2.gz NDJNDWDQCRIKML-UHFFFAOYSA-N -1 1 280.349 2.700 20 0 CFADMM CCc1nc(NC(=O)c2ccc(OC)cc2[O-])sc1C ZINC000047424223 373094216 /nfs/dbraw/zinc/09/42/16/373094216.db2.gz PRFJQEBRQOZOHW-UHFFFAOYSA-N -1 1 292.360 2.980 20 0 CFADMM Cc1ccc(CN(C)Cc2cc(C(=O)[O-])co2)cc1 ZINC000051330292 373391631 /nfs/dbraw/zinc/39/16/31/373391631.db2.gz KABVGOJHBHSXES-UHFFFAOYSA-N -1 1 259.305 2.918 20 0 CFADMM COc1ccc(CN(C)Cc2cc(C(=O)[O-])co2)cc1 ZINC000051330534 373391663 /nfs/dbraw/zinc/39/16/63/373391663.db2.gz UBDXSPWHIPLEKO-UHFFFAOYSA-N -1 1 275.304 2.618 20 0 CFADMM C[C@@H]1SCC[C@H]1N=c1[n-]c(C(F)(F)F)cs1 ZINC000645398706 383690607 /nfs/dbraw/zinc/69/06/07/383690607.db2.gz DCTKSUAJXPZDFI-NTSWFWBYSA-N -1 1 268.329 2.890 20 0 CFADMM CCCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000057706209 373608540 /nfs/dbraw/zinc/60/85/40/373608540.db2.gz CCANXQIICKJJNS-UHFFFAOYSA-N -1 1 281.299 2.572 20 0 CFADMM O=C(N[C@@H]1CCCc2sccc21)c1ncccc1[O-] ZINC000061367865 373716310 /nfs/dbraw/zinc/71/63/10/373716310.db2.gz MNEOVNSQSCEGTM-SNVBAGLBSA-N -1 1 274.345 2.656 20 0 CFADMM Cc1cnc(C(=O)N(C)Cc2ccc(F)cc2C)c([O-])c1 ZINC000490348158 246005745 /nfs/dbraw/zinc/00/57/45/246005745.db2.gz YTVRMLZFDHLELH-UHFFFAOYSA-N -1 1 288.322 2.815 20 0 CFADMM O=C(NCC1CCOCC1)c1cc2ccccc2cc1[O-] ZINC000070160833 374132316 /nfs/dbraw/zinc/13/23/16/374132316.db2.gz CZBVQCPHNLAWFM-UHFFFAOYSA-N -1 1 285.343 2.702 20 0 CFADMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cocn1 ZINC000677910320 541922690 /nfs/dbraw/zinc/92/26/90/541922690.db2.gz VSWKIZMGJVZAFP-ARJAWSKDSA-N -1 1 288.288 2.542 20 0 CFADMM O=C([O-])[C@@H](NCc1ccccc1F)c1ccc(F)cc1 ZINC000074404053 374420347 /nfs/dbraw/zinc/42/03/47/374420347.db2.gz RPMYNBFFVAJQHE-AWEZNQCLSA-N -1 1 277.270 2.880 20 0 CFADMM Cc1ccn2ncc(C(=O)Nc3c([O-])cccc3F)c2c1 ZINC000678039654 541939680 /nfs/dbraw/zinc/93/96/80/541939680.db2.gz FKRRSPNIOMZQHY-UHFFFAOYSA-N -1 1 285.278 2.740 20 0 CFADMM C[C@H]1CN(C(=O)c2cc(Br)ccc2[O-])C[C@@H]1C ZINC000075412173 374480223 /nfs/dbraw/zinc/48/02/23/374480223.db2.gz UCXOKILKNJMABO-IUCAKERBSA-N -1 1 298.180 2.883 20 0 CFADMM O=C(/C=C/c1cccc(CO)c1)Nc1ccc(F)cc1[O-] ZINC000492269772 246238581 /nfs/dbraw/zinc/23/85/81/246238581.db2.gz PSKCJANCCABIMF-QPJJXVBHSA-N -1 1 287.290 2.676 20 0 CFADMM CCCCC[C@@H](C)NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000080535823 374660786 /nfs/dbraw/zinc/66/07/86/374660786.db2.gz FMDRHHCBFIIKTF-SECBINFHSA-N -1 1 297.424 2.911 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCCO1 ZINC000085204558 374795956 /nfs/dbraw/zinc/79/59/56/374795956.db2.gz AARZCQKORSDUJO-NSHDSACASA-N -1 1 255.701 2.553 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCCCO1 ZINC000085204560 374796677 /nfs/dbraw/zinc/79/66/77/374796677.db2.gz AARZCQKORSDUJO-LLVKDONJSA-N -1 1 255.701 2.553 20 0 CFADMM O=C(CC[C@H]1CCCO1)Nc1ccc([O-])c(Cl)c1 ZINC000087217557 374810176 /nfs/dbraw/zinc/81/01/76/374810176.db2.gz MLVJVLWHUGMQDA-SNVBAGLBSA-N -1 1 269.728 2.943 20 0 CFADMM O=C(NO[C@H]1CCCCO1)c1ccc2ccccc2c1[O-] ZINC000101669689 375651324 /nfs/dbraw/zinc/65/13/24/375651324.db2.gz FTFRWMONXKUFIZ-AWEZNQCLSA-N -1 1 287.315 2.733 20 0 CFADMM CCc1ccccc1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505753932 247151153 /nfs/dbraw/zinc/15/11/53/247151153.db2.gz APLBVWMHGQNTTC-UHFFFAOYSA-N -1 1 299.326 2.994 20 0 CFADMM CCOCCN(CC)C(=O)c1ccc(Cl)cc1[O-] ZINC000104198014 375773133 /nfs/dbraw/zinc/77/31/33/375773133.db2.gz FRMNKBCLTOFICT-UHFFFAOYSA-N -1 1 271.744 2.544 20 0 CFADMM CC(C)c1ccc(C(C)(C)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000678717155 542060916 /nfs/dbraw/zinc/06/09/16/542060916.db2.gz HHBULICTSXJKCD-UHFFFAOYSA-N -1 1 274.368 2.659 20 0 CFADMM CC(C)N(Cc1cccs1)C(=O)c1cncc([O-])c1 ZINC000111739314 375867688 /nfs/dbraw/zinc/86/76/88/375867688.db2.gz DSNBTIMVXDCLDM-UHFFFAOYSA-N -1 1 276.361 2.900 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1C1CCCCC1 ZINC000111775748 375868814 /nfs/dbraw/zinc/86/88/14/375868814.db2.gz JHOIWTZCMUEIGV-OAHLLOKOSA-N -1 1 274.364 2.972 20 0 CFADMM C[C@H](c1ccccc1)N(C)C(=O)c1cncc([O-])c1 ZINC000111775589 375869510 /nfs/dbraw/zinc/86/95/10/375869510.db2.gz NIJGCJUSSRAYOZ-LLVKDONJSA-N -1 1 256.305 2.620 20 0 CFADMM CCC(CC)CC(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000119360551 376400403 /nfs/dbraw/zinc/40/04/03/376400403.db2.gz YVNWXIQGJWEJIM-UHFFFAOYSA-N -1 1 275.356 2.575 20 0 CFADMM CCc1cc(=O)[n-]c(C[N@H+]2CCC[C@H]2CC(C)C)n1 ZINC000119392378 376407243 /nfs/dbraw/zinc/40/72/43/376407243.db2.gz OQRGBPTXKZVEMU-ZDUSSCGKSA-N -1 1 263.385 2.755 20 0 CFADMM C[C@@H]1CCC[C@@H](C(=O)Nc2cc(-c3nccn3C)n[nH]2)C1 ZINC000119442987 376414304 /nfs/dbraw/zinc/41/43/04/376414304.db2.gz WLFMTLPGSYHNPG-GHMZBOCLSA-N -1 1 287.367 2.575 20 0 CFADMM CCC[C@@H](NC(=O)C=C1CCC(C)(C)CC1)c1nn[n-]n1 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CC[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000130395577 377550320 /nfs/dbraw/zinc/55/03/20/377550320.db2.gz LDMLYBITMBLCRC-VIFPVBQESA-N -1 1 253.729 2.918 20 0 CFADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)cc1O ZINC000679406521 542189236 /nfs/dbraw/zinc/18/92/36/542189236.db2.gz QVDAQUKOVRGJLU-UHFFFAOYSA-N -1 1 261.252 2.798 20 0 CFADMM COCCC[N@@H+](C)Cc1cc(O)ccc1Br ZINC000132721939 377869888 /nfs/dbraw/zinc/86/98/88/377869888.db2.gz WCMAAILRGHSWBC-UHFFFAOYSA-N -1 1 288.185 2.623 20 0 CFADMM O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1cc(F)ccc1[O-] ZINC000134428932 378013628 /nfs/dbraw/zinc/01/36/28/378013628.db2.gz DFWKNDGMMJTEJU-FZMZJTMJSA-N -1 1 295.354 2.592 20 0 CFADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCOC1 ZINC000135039541 378076677 /nfs/dbraw/zinc/07/66/77/378076677.db2.gz SDXBIDGYGRTSGW-DGCLKSJQSA-N -1 1 285.343 2.700 20 0 CFADMM COc1cc(C(=O)NCC2(C)CCC2)cc(Cl)c1[O-] ZINC000135166390 378094440 /nfs/dbraw/zinc/09/44/40/378094440.db2.gz BXWSHERCPFUCQR-UHFFFAOYSA-N -1 1 283.755 2.974 20 0 CFADMM 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C[C@@]1(c2nc(-c3ccc([O-])c(F)c3)no2)C[C@H]1F ZINC000335248324 380077806 /nfs/dbraw/zinc/07/78/06/380077806.db2.gz HLQXPMXWJBIRPI-BXKDBHETSA-N -1 1 252.220 2.581 20 0 CFADMM C[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)CCC1=O ZINC000335971331 380178740 /nfs/dbraw/zinc/17/87/40/380178740.db2.gz JTNSFJDZAZBTQD-RKDXNWHRSA-N -1 1 281.739 2.989 20 0 CFADMM O=C(NCc1cc(F)ccc1F)c1c(F)ccc([O-])c1F ZINC000335953958 380154396 /nfs/dbraw/zinc/15/43/96/380154396.db2.gz PPLDLDSWMVABEZ-UHFFFAOYSA-N -1 1 299.223 2.879 20 0 CFADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccncc1F ZINC000336003233 380223108 /nfs/dbraw/zinc/22/31/08/380223108.db2.gz JMTRHOMPKKHFJV-ZETCQYMHSA-N -1 1 296.248 2.696 20 0 CFADMM CC(C)C[C@@H]1CCCCN1C(=O)c1cncc([O-])c1 ZINC000176850026 380279024 /nfs/dbraw/zinc/27/90/24/380279024.db2.gz BHKDPDFRUGTQBF-ZDUSSCGKSA-N -1 1 262.353 2.828 20 0 CFADMM O=C(NC[C@@H]1CCCC[C@H]1O)c1cc2ccccc2cc1[O-] ZINC000177552861 380353581 /nfs/dbraw/zinc/35/35/81/380353581.db2.gz RFNSHZSDGFJQAG-GOEBONIOSA-N -1 1 299.370 2.826 20 0 CFADMM CS(=O)(=O)[N-]c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC000336521755 380406400 /nfs/dbraw/zinc/40/64/00/380406400.db2.gz NQBFZIPEEUUSFL-UHFFFAOYSA-N -1 1 298.751 2.899 20 0 CFADMM Cc1ccnc([N-]S(=O)(=O)Cc2ccccc2C)c1 ZINC000180806205 380701623 /nfs/dbraw/zinc/70/16/23/380701623.db2.gz QLWREDXJYQHLQQ-UHFFFAOYSA-N -1 1 276.361 2.640 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]2CCC[C@H]21 ZINC000181239134 380761801 /nfs/dbraw/zinc/76/18/01/380761801.db2.gz RZZGCPBRBICVAW-QMTHXVAHSA-N -1 1 263.312 2.936 20 0 CFADMM O=C(NCCc1c(F)cccc1F)c1ccc([O-])cc1F ZINC000181154145 380749066 /nfs/dbraw/zinc/74/90/66/380749066.db2.gz BLRZOVBKTMISKA-UHFFFAOYSA-N -1 1 295.260 2.782 20 0 CFADMM Cc1scc(CNCc2cc(C(=O)[O-])co2)c1C ZINC000399797068 380846119 /nfs/dbraw/zinc/84/61/19/380846119.db2.gz DYVMMBQVHBDLMY-UHFFFAOYSA-N -1 1 265.334 2.946 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCO3)cc1 ZINC000358489836 380878982 /nfs/dbraw/zinc/87/89/82/380878982.db2.gz BDLQMOMNBFJQGL-UHFFFAOYSA-N -1 1 289.356 2.731 20 0 CFADMM C[C@@H]1[C@H](C)OCCN1Cc1cccc([O-])c1Cl ZINC000295479180 380882757 /nfs/dbraw/zinc/88/27/57/380882757.db2.gz XBGCBAGVKGXJEO-ZJUUUORDSA-N -1 1 255.745 2.655 20 0 CFADMM C[C@H](c1ccco1)N(C(=O)c1cncc([O-])c1)C1CC1 ZINC000279248130 194351234 /nfs/dbraw/zinc/35/12/34/194351234.db2.gz RGQOKWVSDROCRG-SNVBAGLBSA-N -1 1 272.304 2.746 20 0 CFADMM Cc1cnc(C(=O)N[C@H](C)c2ccc(F)cc2F)c([O-])c1 ZINC000358713095 381027603 /nfs/dbraw/zinc/02/76/03/381027603.db2.gz FJMFQSUOYARWDN-SECBINFHSA-N -1 1 292.285 2.865 20 0 CFADMM CC[C@H](NC(=O)c1ncccc1[O-])c1ccc(F)cc1F ZINC000358645265 380987865 /nfs/dbraw/zinc/98/78/65/380987865.db2.gz HKQVXOGXUGIVRX-LBPRGKRZSA-N -1 1 292.285 2.947 20 0 CFADMM Cc1cnc(C(=O)NCCc2c[nH]c3ccccc23)c([O-])c1 ZINC000358747686 381051804 /nfs/dbraw/zinc/05/18/04/381051804.db2.gz WOQRGNDQXCWOAI-UHFFFAOYSA-N -1 1 295.342 2.549 20 0 CFADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@H]1Cc2ccccc21 ZINC000354031558 381033956 /nfs/dbraw/zinc/03/39/56/381033956.db2.gz KTGPXJIJHDFSIF-LBPRGKRZSA-N -1 1 295.367 2.839 20 0 CFADMM Cc1cnc(C(=O)NCCCOC2CCCCC2)c([O-])c1 ZINC000358736514 381042786 /nfs/dbraw/zinc/04/27/86/381042786.db2.gz SEXVECOWVFQBHP-UHFFFAOYSA-N -1 1 292.379 2.565 20 0 CFADMM C[C@@H]1c2ccccc2CN1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000341650637 381151177 /nfs/dbraw/zinc/15/11/77/381151177.db2.gz YSHRZIKJRRUWDK-SNVBAGLBSA-N -1 1 299.399 2.856 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2cccc(O)c2F)c(C)o1 ZINC000182827575 381166002 /nfs/dbraw/zinc/16/60/02/381166002.db2.gz MDHPMINGKOZUDX-UHFFFAOYSA-N -1 1 285.296 2.542 20 0 CFADMM Cc1[nH]c(=O)ccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182862505 381175135 /nfs/dbraw/zinc/17/51/35/381175135.db2.gz GSXBUZZMCKVGNN-UHFFFAOYSA-N -1 1 278.695 2.707 20 0 CFADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cn1 ZINC000359010372 381212778 /nfs/dbraw/zinc/21/27/78/381212778.db2.gz OCIKYVAMMAQSIT-UHFFFAOYSA-N -1 1 292.360 2.590 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CCCO[C@@H]2CCC[C@H]21 ZINC000369456443 381262551 /nfs/dbraw/zinc/26/25/51/381262551.db2.gz FUEUENLJVAILRQ-TZMCWYRMSA-N -1 1 295.766 2.829 20 0 CFADMM CC(C)CC[C@](C)(O)CN=c1nc(C(F)(F)F)[n-]s1 ZINC000342346896 381288765 /nfs/dbraw/zinc/28/87/65/381288765.db2.gz JHHUTJWOOPBUGW-JTQLQIEISA-N -1 1 297.346 2.578 20 0 CFADMM O=C(NCCC[C@@H]1CCCCO1)c1c(F)ccc([O-])c1F ZINC000290338253 381390491 /nfs/dbraw/zinc/39/04/91/381390491.db2.gz FFYBGGOZZIRHCP-JTQLQIEISA-N -1 1 299.317 2.750 20 0 CFADMM COc1cccc2c1nc(NC(=O)c1ccccc1[O-])n2C ZINC000184451116 381416676 /nfs/dbraw/zinc/41/66/76/381416676.db2.gz ZWFMJCZHOFPZFW-UHFFFAOYSA-N -1 1 297.314 2.540 20 0 CFADMM CCC[C@]1(CO)CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000290648569 381509416 /nfs/dbraw/zinc/50/94/16/381509416.db2.gz NGINHFXSCOGEGF-HNNXBMFYSA-N -1 1 297.782 2.670 20 0 CFADMM COc1cc(-c2noc(-c3cc(F)ccc3[O-])n2)ccn1 ZINC000184871063 381491964 /nfs/dbraw/zinc/49/19/64/381491964.db2.gz KOFZUGBWXZZKGC-UHFFFAOYSA-N -1 1 287.250 2.652 20 0 CFADMM CCC[C@H](C(=O)[N-]OCCCC(=O)OC)c1ccccc1 ZINC000290818217 381562246 /nfs/dbraw/zinc/56/22/46/381562246.db2.gz ZMUGSBYHNLFDPW-AWEZNQCLSA-N -1 1 293.363 2.571 20 0 CFADMM C[C@@H](CCNC(=O)c1cncc([O-])c1)CC(C)(C)C ZINC000355009705 381564713 /nfs/dbraw/zinc/56/47/13/381564713.db2.gz JNGRVOVPLYYRKY-NSHDSACASA-N -1 1 264.369 2.979 20 0 CFADMM CO[C@]1(C)C[C@@H](N=c2nc(C(F)(F)F)[n-]s2)C1(C)C ZINC000342825160 381570126 /nfs/dbraw/zinc/57/01/26/381570126.db2.gz OEHHNIINMWCQJN-LHLIQPBNSA-N -1 1 295.330 2.594 20 0 CFADMM Cc1cc2[nH]ncc2cc1N=c1nc(C(F)(F)F)[n-]s1 ZINC000343206270 381667162 /nfs/dbraw/zinc/66/71/62/381667162.db2.gz NCHSCEMCKWTKNE-UHFFFAOYSA-N -1 1 299.281 2.907 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)[C@H]3[C@@H](C)C3(F)F)[nH][n-]2)s1 ZINC000359952195 381696036 /nfs/dbraw/zinc/69/60/36/381696036.db2.gz JMJDAXONTQTVNJ-RDDDGLTNSA-N -1 1 297.330 2.708 20 0 CFADMM CC(C)Oc1cc(O)ccc1NC(=O)c1cncc([O-])c1 ZINC000355237252 381696678 /nfs/dbraw/zinc/69/66/78/381696678.db2.gz MIDVVEACLSJSGU-UHFFFAOYSA-N -1 1 288.303 2.532 20 0 CFADMM CCC(=O)[C@@H]1CCCCN1C(=O)c1ccc([O-])cc1F ZINC000185829725 381748187 /nfs/dbraw/zinc/74/81/87/381748187.db2.gz QNRPYUWCGMIEEJ-ZDUSSCGKSA-N -1 1 279.311 2.505 20 0 CFADMM CCCC[C@@H]1CCC[C@H]1NC(=O)c1cncc([O-])c1 ZINC000348829558 381726150 /nfs/dbraw/zinc/72/61/50/381726150.db2.gz WFLGLRJOAGLQJT-BXUZGUMPSA-N -1 1 262.353 2.876 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)CCCCC(C)C)[n-]1 ZINC000415625790 381862931 /nfs/dbraw/zinc/86/29/31/381862931.db2.gz FMXHPUUQUMTQQP-UHFFFAOYSA-N -1 1 281.356 2.741 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)CCCCC(C)C)n1 ZINC000415625790 381862936 /nfs/dbraw/zinc/86/29/36/381862936.db2.gz FMXHPUUQUMTQQP-UHFFFAOYSA-N -1 1 281.356 2.741 20 0 CFADMM CCc1sc(C(=O)Nc2nc(SC)n[nH]2)cc1C ZINC000299485192 381957577 /nfs/dbraw/zinc/95/75/77/381957577.db2.gz DTHKKIKATMQZKV-UHFFFAOYSA-N -1 1 282.394 2.711 20 0 CFADMM O=C([O-])CCCCN1CC[C@H]1c1ccccc1F ZINC000373270283 381965835 /nfs/dbraw/zinc/96/58/35/381965835.db2.gz ZHCUGADEEKVNFK-ZDUSSCGKSA-N -1 1 251.301 2.827 20 0 CFADMM Cc1cc(C)nc([N-]S(=O)(=O)Cc2ccccc2C)c1 ZINC000186616955 381966003 /nfs/dbraw/zinc/96/60/03/381966003.db2.gz ZMBZOIFFYBZRPN-UHFFFAOYSA-N -1 1 290.388 2.949 20 0 CFADMM O=C(NCC1(CO)CCCC1)c1cc2ccccc2cc1[O-] ZINC000187006221 382075197 /nfs/dbraw/zinc/07/51/97/382075197.db2.gz GMZSXEGUONXTCP-UHFFFAOYSA-N -1 1 299.370 2.828 20 0 CFADMM CCc1nn(C)cc1NCc1cccc([O-])c1Cl ZINC000293321060 382079333 /nfs/dbraw/zinc/07/93/33/382079333.db2.gz RBFAIOBHPDVHJF-UHFFFAOYSA-N -1 1 265.744 2.954 20 0 CFADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000187053781 382086578 /nfs/dbraw/zinc/08/65/78/382086578.db2.gz WEKUZYCFPGWEML-UHFFFAOYSA-N -1 1 299.298 2.774 20 0 CFADMM Cc1cc2cc(CNC(=O)c3ncccc3[O-])ccc2[nH]1 ZINC000344043802 382090054 /nfs/dbraw/zinc/09/00/54/382090054.db2.gz DUFJKDPBXSQTJB-UHFFFAOYSA-N -1 1 281.315 2.507 20 0 CFADMM Cc1ccc(-c2cc(-c3nc(-c4ccon4)no3)[nH]n2)o1 ZINC000357394573 382148236 /nfs/dbraw/zinc/14/82/36/382148236.db2.gz LWGSCQJBYVZCNP-UHFFFAOYSA-N -1 1 283.247 2.683 20 0 CFADMM COC(=O)c1c[n-]c(SCc2cc(C(C)(C)C)on2)n1 ZINC000352153010 382197351 /nfs/dbraw/zinc/19/73/51/382197351.db2.gz KQAPOCASKKHLCQ-UHFFFAOYSA-N -1 1 295.364 2.774 20 0 CFADMM COC(=O)c1c[n-]c(SCCOc2cccc(C)c2)n1 ZINC000187596589 382221513 /nfs/dbraw/zinc/22/15/13/382221513.db2.gz OKJVGKCHJGSAJC-UHFFFAOYSA-N -1 1 292.360 2.676 20 0 CFADMM COc1cc(NC(=O)c2ccc([O-])cc2F)ccc1F ZINC000187643692 382233773 /nfs/dbraw/zinc/23/37/73/382233773.db2.gz NHRYHLORBKFLFO-UHFFFAOYSA-N -1 1 279.242 2.931 20 0 CFADMM O=C(NOCC1CC1)c1cc2ccccc2cc1[O-] ZINC000293701959 382240716 /nfs/dbraw/zinc/24/07/16/382240716.db2.gz DLGPURCPYUSBIX-UHFFFAOYSA-N -1 1 257.289 2.617 20 0 CFADMM C[C@@H]1CN(Cc2cccc(F)c2F)CC[C@@H]1C(=O)[O-] ZINC000302483402 382255386 /nfs/dbraw/zinc/25/53/86/382255386.db2.gz HWIAVHJUEHDMSE-KOLCDFICSA-N -1 1 269.291 2.507 20 0 CFADMM CO[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CC[C@H]1C ZINC000187780745 382268164 /nfs/dbraw/zinc/26/81/64/382268164.db2.gz RFPKQIPHTIZCDI-NOZJJQNGSA-N -1 1 283.755 2.543 20 0 CFADMM CCCCn1ncc([N-]c2nc(CCOC)ns2)c1C ZINC000302805621 382323896 /nfs/dbraw/zinc/32/38/96/382323896.db2.gz FPABZGPGIJMXSS-UHFFFAOYSA-N -1 1 295.412 2.776 20 0 CFADMM COCCC1(C(=O)Nc2nc(Cl)ccc2[O-])CCC1 ZINC000188344227 382396655 /nfs/dbraw/zinc/39/66/55/382396655.db2.gz KAWMXOUMALCVKN-UHFFFAOYSA-N -1 1 284.743 2.586 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1OC[C@@H]2CCC[C@H]21 ZINC000377996577 382381607 /nfs/dbraw/zinc/38/16/07/382381607.db2.gz MTKHCZLIUUGRPH-IYYTYJHQSA-N -1 1 281.739 2.799 20 0 CFADMM CCc1c(C)[n-]n(-c2cncc(Br)c2)c1=O ZINC000304276913 382385848 /nfs/dbraw/zinc/38/58/48/382385848.db2.gz WOCFMPOZEOKZTN-JTQLQIEISA-N -1 1 282.141 2.593 20 0 CFADMM CC[C@@H]1CCN1C(=O)c1cc(Br)ccc1[O-] ZINC000293941129 382346553 /nfs/dbraw/zinc/34/65/53/382346553.db2.gz ILEHVLCCVJGHPC-SECBINFHSA-N -1 1 284.153 2.779 20 0 CFADMM CCOc1cc(C(=O)N(C)CC(F)F)cc(Cl)c1[O-] ZINC000358127389 382461081 /nfs/dbraw/zinc/46/10/81/382461081.db2.gz GWADTUISLNMWQO-UHFFFAOYSA-N -1 1 293.697 2.781 20 0 CFADMM CC[C@H](C)[C@H](CNC(=O)c1ccc(Cl)cc1[O-])OC ZINC000381377116 382520131 /nfs/dbraw/zinc/52/01/31/382520131.db2.gz KNDYDGLVTLVNDL-ZANVPECISA-N -1 1 285.771 2.837 20 0 CFADMM O=C(Nc1ccc(=O)[nH]c1)c1cc2ccccc2cc1[O-] ZINC000314291272 382525088 /nfs/dbraw/zinc/52/50/88/382525088.db2.gz VTCMOAOUXACSAQ-UHFFFAOYSA-N -1 1 280.283 2.898 20 0 CFADMM O=C(C(=O)N(C1CCC1)C1CCC1)c1ccc([O-])cc1 ZINC000294468780 382514278 /nfs/dbraw/zinc/51/42/78/382514278.db2.gz ATSJYBKMILLTJC-UHFFFAOYSA-N -1 1 273.332 2.509 20 0 CFADMM CC(C)SCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000383999318 382548538 /nfs/dbraw/zinc/54/85/38/382548538.db2.gz MPUHASVNXIWGPC-UHFFFAOYSA-N -1 1 273.785 2.917 20 0 CFADMM CC(C)c1nc(=NCCc2c[nH]c3ccc(F)cc23)o[n-]1 ZINC000346870197 382553141 /nfs/dbraw/zinc/55/31/41/382553141.db2.gz ZFZYLYVYZBWMLS-UHFFFAOYSA-N -1 1 288.326 2.890 20 0 CFADMM CC(C)N(C(=O)c1cc(F)cc2nn[nH]c21)C1CCC1 ZINC000328665947 382561983 /nfs/dbraw/zinc/56/19/83/382561983.db2.gz ZNWNCFCAIDXLLJ-UHFFFAOYSA-N -1 1 276.315 2.500 20 0 CFADMM Cc1cnccc1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000384995955 382564629 /nfs/dbraw/zinc/56/46/29/382564629.db2.gz UQBULCIEDVHKQA-INIZCTEOSA-N -1 1 282.343 2.574 20 0 CFADMM CC(C)C[C@@H]1C[C@H]1N=c1nc(C(F)(F)F)[n-]s1 ZINC000385469036 382571544 /nfs/dbraw/zinc/57/15/44/382571544.db2.gz MEWCRKUVYJDSHR-RNFRBKRXSA-N -1 1 265.304 2.825 20 0 CFADMM Cc1ncoc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000353599329 382571801 /nfs/dbraw/zinc/57/18/01/382571801.db2.gz CPCDGFZZOGCDOT-UHFFFAOYSA-N -1 1 292.345 2.815 20 0 CFADMM COC[C@H]1CCC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000295232261 382594514 /nfs/dbraw/zinc/59/45/14/382594514.db2.gz CYPFMEGVLPGHFR-NSHDSACASA-N -1 1 269.772 2.904 20 0 CFADMM Cc1cscc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000387072543 382595430 /nfs/dbraw/zinc/59/54/30/382595430.db2.gz YYADHCUNRJGMHJ-UHFFFAOYSA-N -1 1 297.357 2.556 20 0 CFADMM Cc1nc([C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)no1 ZINC000295263740 382602635 /nfs/dbraw/zinc/60/26/35/382602635.db2.gz HDUVIEUAVOFFFO-LURJTMIESA-N -1 1 278.337 2.604 20 0 CFADMM COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)C1CC1 ZINC000189396605 382603034 /nfs/dbraw/zinc/60/30/34/382603034.db2.gz MMBJBGSUHGHAMC-UHFFFAOYSA-N -1 1 296.175 2.906 20 0 CFADMM Cc1nn(C)cc1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000388527681 382607835 /nfs/dbraw/zinc/60/78/35/382607835.db2.gz YLMYSSJZRRVCEY-UHFFFAOYSA-N -1 1 295.342 2.517 20 0 CFADMM CCOCC(C)(C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000393592575 382624146 /nfs/dbraw/zinc/62/41/46/382624146.db2.gz QVQROOMHZKMANS-UHFFFAOYSA-N -1 1 271.744 2.591 20 0 CFADMM CCCCOc1ccc(C(=O)Nc2cnn(C)c2)c([O-])c1 ZINC000190109569 382653770 /nfs/dbraw/zinc/65/37/70/382653770.db2.gz OFKHYRRBDCXFFN-UHFFFAOYSA-N -1 1 289.335 2.557 20 0 CFADMM COc1ccc(-c2nc([C@@H]3CC[C@@H](C)O3)no2)c([O-])c1 ZINC000398392759 382635691 /nfs/dbraw/zinc/63/56/91/382635691.db2.gz XRSXZODGVKJVDX-PELKAZGASA-N -1 1 276.292 2.691 20 0 CFADMM O=C(c1cc(Br)ccc1[O-])N1C2CCC1CC2 ZINC000398830106 382636155 /nfs/dbraw/zinc/63/61/55/382636155.db2.gz DJQWQGYNIBVWFU-UHFFFAOYSA-N -1 1 296.164 2.922 20 0 CFADMM O=C([O-])c1csc(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000191328891 382698506 /nfs/dbraw/zinc/69/85/06/382698506.db2.gz OYXKYOPVSCZIQK-UHFFFAOYSA-N -1 1 287.300 2.575 20 0 CFADMM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000193109252 382715985 /nfs/dbraw/zinc/71/59/85/382715985.db2.gz OUHRETQZPNGZTK-ZETCQYMHSA-N -1 1 298.191 2.770 20 0 CFADMM COc1ccc(OC)c(CSc2ncc(C)c(=O)[n-]2)c1 ZINC000575003668 382722993 /nfs/dbraw/zinc/72/29/93/382722993.db2.gz UCLYGMRDOCKESK-UHFFFAOYSA-N -1 1 292.360 2.800 20 0 CFADMM O=C(CCC(F)(F)F)Nc1nc(Cl)ccc1[O-] ZINC000194585482 382749372 /nfs/dbraw/zinc/74/93/72/382749372.db2.gz FOTVYXXRPSVOKN-UHFFFAOYSA-N -1 1 268.622 2.722 20 0 CFADMM CCc1cc(=O)[n-]c(SCC(=O)C2CCCCC2)n1 ZINC000195071384 382760995 /nfs/dbraw/zinc/76/09/95/382760995.db2.gz LCDFQGKGZQUHAE-UHFFFAOYSA-N -1 1 280.393 2.574 20 0 CFADMM CC(=O)CCCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000195080254 382761056 /nfs/dbraw/zinc/76/10/56/382761056.db2.gz WOQRTMLZPHAORD-UHFFFAOYSA-N -1 1 266.366 2.911 20 0 CFADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccnc1C ZINC000229356522 382851022 /nfs/dbraw/zinc/85/10/22/382851022.db2.gz CHDBNLQLIHVWQO-UHFFFAOYSA-N -1 1 294.351 2.947 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)[C@H]3CC3(C)C)[nH][n-]2)s1 ZINC000337430849 382819714 /nfs/dbraw/zinc/81/97/14/382819714.db2.gz FVLBMLBMNLLVSK-SECBINFHSA-N -1 1 275.377 2.853 20 0 CFADMM Cc1ccccc1[C@H](C)N(C)Cc1oncc1C(=O)[O-] ZINC000576710433 382833196 /nfs/dbraw/zinc/83/31/96/382833196.db2.gz JFCQDZUPFKKWNB-NSHDSACASA-N -1 1 274.320 2.874 20 0 CFADMM CCOc1cccc(CNCc2cc(C(=O)[O-])co2)c1 ZINC000228166560 382845351 /nfs/dbraw/zinc/84/53/51/382845351.db2.gz DDGNZYFEAPJFFG-UHFFFAOYSA-N -1 1 275.304 2.666 20 0 CFADMM Cc1cnc(C(=O)NC[C@@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000337672754 382854240 /nfs/dbraw/zinc/85/42/40/382854240.db2.gz WRSVLAMMIJEFSS-SNVBAGLBSA-N -1 1 284.306 2.651 20 0 CFADMM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000337727905 382859081 /nfs/dbraw/zinc/85/90/81/382859081.db2.gz CLCSSGYHEMXCIV-KOLCDFICSA-N -1 1 289.347 2.822 20 0 CFADMM CCC1(CC)[C@H](N=c2nc([C@@H](C)OC)[n-]s2)C[C@H]1OC ZINC000337786691 382865021 /nfs/dbraw/zinc/86/50/21/382865021.db2.gz BRNHNNOLJBIXQF-GMTAPVOTSA-N -1 1 299.440 2.673 20 0 CFADMM CO[C@@H](C)c1nc(=N[C@H](C)CCC2CC2)s[n-]1 ZINC000337888296 382872650 /nfs/dbraw/zinc/87/26/50/382872650.db2.gz ZKMHEWYJYSJZRB-BDAKNGLRSA-N -1 1 255.387 2.658 20 0 CFADMM CC[C@](C)(OC)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000234134121 382872840 /nfs/dbraw/zinc/87/28/40/382872840.db2.gz AIPICLZVQSRIMP-LBPRGKRZSA-N -1 1 257.717 2.799 20 0 CFADMM CO[C@H](C)c1nc(=N[C@@H]2CC23CCCCC3)s[n-]1 ZINC000337889065 382872954 /nfs/dbraw/zinc/87/29/54/382872954.db2.gz ZYOQVLVTNBZTSE-NXEZZACHSA-N -1 1 267.398 2.802 20 0 CFADMM CO[C@H](C)c1nc(=NC2CCC3(CC3)CC2)s[n-]1 ZINC000337932985 382873936 /nfs/dbraw/zinc/87/39/36/382873936.db2.gz HEHVKMCOYYNBKP-SECBINFHSA-N -1 1 267.398 2.802 20 0 CFADMM COc1ccc([C@@H](NC(=O)c2ncccc2[O-])C2CC2)cc1 ZINC000337991998 382892243 /nfs/dbraw/zinc/89/22/43/382892243.db2.gz CKXPZLGEJJDPEV-HNNXBMFYSA-N -1 1 298.342 2.677 20 0 CFADMM COc1ccc2c(c1)C[N@@H+]([C@H](C(=O)[O-])c1ccccc1)CC2 ZINC000578199146 382899463 /nfs/dbraw/zinc/89/94/63/382899463.db2.gz XEFIRTGTOZRBII-KRWDZBQOSA-N -1 1 297.354 2.879 20 0 CFADMM COc1cc(C(=O)Nc2c(C)noc2C)cc(Cl)c1[O-] ZINC000442641797 382940388 /nfs/dbraw/zinc/94/03/88/382940388.db2.gz AYPXOOSWNNNBNM-UHFFFAOYSA-N -1 1 296.710 2.911 20 0 CFADMM CCN(CC1CC1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442655917 382941516 /nfs/dbraw/zinc/94/15/16/382941516.db2.gz VRWGMEKMDIYWSZ-UHFFFAOYSA-N -1 1 283.755 2.926 20 0 CFADMM O=C(N[C@H]1CC[C@H](c2cccc(Cl)c2)C1)c1cnn[nH]1 ZINC000579081146 382980085 /nfs/dbraw/zinc/98/00/85/382980085.db2.gz KMAIXTGRIAPHDK-JQWIXIFHSA-N -1 1 290.754 2.524 20 0 CFADMM C[C@H](CC(C)(C)C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000457187438 382982867 /nfs/dbraw/zinc/98/28/67/382982867.db2.gz FCFSYKXUCRHXBO-SNVBAGLBSA-N -1 1 263.337 2.516 20 0 CFADMM C[C@@H](CN(Cc1nc(C2CC2)cs1)C1CC1)C(=O)[O-] ZINC000579250827 382997303 /nfs/dbraw/zinc/99/73/03/382997303.db2.gz ZIXFXJPSXOOQBS-VIFPVBQESA-N -1 1 280.393 2.706 20 0 CFADMM O=C(c1csc(=NC2CC2)[n-]1)N1CC[C@H]1c1ccccc1 ZINC000495184539 382969040 /nfs/dbraw/zinc/96/90/40/382969040.db2.gz OUPGEVGQHROVGG-AWEZNQCLSA-N -1 1 299.399 2.727 20 0 CFADMM CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000447893085 383024768 /nfs/dbraw/zinc/02/47/68/383024768.db2.gz YSPPPTGTOUJDMK-VXGBXAGGSA-N -1 1 286.379 2.860 20 0 CFADMM C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1ncccc1[O-] ZINC000458240685 383139317 /nfs/dbraw/zinc/13/93/17/383139317.db2.gz ILZIWWBQHZGCFA-LLVKDONJSA-N -1 1 288.322 2.630 20 0 CFADMM Cc1ccc(C(=O)N(C)c2cccc(C)n2)c([O-])c1 ZINC000552391114 383083718 /nfs/dbraw/zinc/08/37/18/383083718.db2.gz VQOQJRHMUSKXTG-UHFFFAOYSA-N -1 1 256.305 2.681 20 0 CFADMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2sccc2F)[C@@H](C)C1 ZINC000338919147 383086003 /nfs/dbraw/zinc/08/60/03/383086003.db2.gz OGGVHGQZNUWNRS-WCABBAIRSA-N -1 1 291.413 2.990 20 0 CFADMM CCSCC[C@H](C)[N-]S(=O)(=O)c1sccc1F ZINC000338926372 383088602 /nfs/dbraw/zinc/08/86/02/383088602.db2.gz NWVHWEIEKXETQO-QMMMGPOBSA-N -1 1 297.442 2.697 20 0 CFADMM CCCC1(C[N-]S(=O)(=O)c2sccc2F)CC1 ZINC000338931830 383089968 /nfs/dbraw/zinc/08/99/68/383089968.db2.gz UQYXJVKEBLMFSI-UHFFFAOYSA-N -1 1 277.386 2.746 20 0 CFADMM O=S(=O)([N-][C@H]1CCC12CCCC2)c1sccc1F ZINC000338976968 383105495 /nfs/dbraw/zinc/10/54/95/383105495.db2.gz UVQLMNQWHPVVQA-JTQLQIEISA-N -1 1 289.397 2.888 20 0 CFADMM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000584498874 383108555 /nfs/dbraw/zinc/10/85/55/383108555.db2.gz KATRJJSDIQKHBY-QMMMGPOBSA-N -1 1 295.326 2.674 20 0 CFADMM C[C@@H](CC1CCC1)NC(=O)c1ccc([O-])cc1F ZINC000634369101 383178835 /nfs/dbraw/zinc/17/88/35/383178835.db2.gz SOICUBPFABLLMA-VIFPVBQESA-N -1 1 251.301 2.840 20 0 CFADMM COc1cc(C(=O)NC2(CF)CCC2)cc(Cl)c1[O-] ZINC000519406352 383213733 /nfs/dbraw/zinc/21/37/33/383213733.db2.gz SXAFJLZSDLEJTD-UHFFFAOYSA-N -1 1 287.718 2.676 20 0 CFADMM C[C@@]1(CNC(=O)c2cncc([O-])c2)C[C@H]1c1ccccc1 ZINC000518239108 383195282 /nfs/dbraw/zinc/19/52/82/383195282.db2.gz MILPAMUSQUCQDZ-RDJZCZTQSA-N -1 1 282.343 2.711 20 0 CFADMM Cc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)o1 ZINC000339117523 383155531 /nfs/dbraw/zinc/15/55/31/383155531.db2.gz BDCYZNNGGFDMLB-UHFFFAOYSA-N -1 1 283.287 2.936 20 0 CFADMM O=C(CCc1ccco1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339122470 383158445 /nfs/dbraw/zinc/15/84/45/383158445.db2.gz GSYXUFWICXTQBD-UHFFFAOYSA-N -1 1 297.314 2.947 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@@H]2C[C@H]1CS2 ZINC000458311453 383159796 /nfs/dbraw/zinc/15/97/96/383159796.db2.gz AILGCAWPDMWNHO-STQMWFEESA-N -1 1 285.368 2.875 20 0 CFADMM CC1(C)C[C@@H](n2[n-]c3c(c2=O)CCc2ccccc2-3)CCO1 ZINC000634621217 383280791 /nfs/dbraw/zinc/28/07/91/383280791.db2.gz BTLCWFFLQSVROY-ZFWWWQNUSA-N -1 1 298.386 2.753 20 0 CFADMM Cc1[n-]n(-c2nc3ccccc3o2)c(=O)c1C1CC1 ZINC000634585511 383249061 /nfs/dbraw/zinc/24/90/61/383249061.db2.gz JAYBSSAGMGASQO-GFCCVEGCSA-N 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MLAQKADCXJKTBW-WFASDCNBSA-N -1 1 286.375 2.872 20 0 CFADMM CCc1cc(=O)n(-c2ccc(OC)c(Cl)c2)[n-]1 ZINC000634614561 383274383 /nfs/dbraw/zinc/27/43/83/383274383.db2.gz GGPXQRVJENDFJK-UHFFFAOYSA-N -1 1 252.701 2.851 20 0 CFADMM CCCc1[n-]n(CCc2ccccn2)c(=O)c1CC ZINC000634615058 383275523 /nfs/dbraw/zinc/27/55/23/383275523.db2.gz WGUKTQUVWMQNKO-ZDUSSCGKSA-N -1 1 259.353 2.649 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3nc(C(F)(F)F)cs3)c(=O)c21 ZINC000634615520 383275609 /nfs/dbraw/zinc/27/56/09/383275609.db2.gz JGYFODRZABAQID-XRGYYRRGSA-N -1 1 289.282 2.911 20 0 CFADMM CCCc1[n-]n([C@@H]2CCOC(C)(C)C2)c(=O)c1CC ZINC000634621378 383280169 /nfs/dbraw/zinc/28/01/69/383280169.db2.gz GLWINYRKCJRHKK-VXGBXAGGSA-N -1 1 266.385 2.969 20 0 CFADMM CC1(C)C[C@H](n2[n-]c3c(c2=O)CCc2ccccc2-3)CCO1 ZINC000634621216 383280326 /nfs/dbraw/zinc/28/03/26/383280326.db2.gz BTLCWFFLQSVROY-UKRRQHHQSA-N -1 1 298.386 2.753 20 0 CFADMM C[C@@]1(C(=O)[O-])CCCN(Cc2nc(C3CC3)cs2)C1 ZINC000568059175 383349725 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/nfs/dbraw/zinc/29/07/14/383290714.db2.gz ZIHUJBLBGHJZQK-SFYZADRCSA-N -1 1 250.264 2.962 20 0 CFADMM CC1(C)OCC[C@@H]1n1[n-]c2c(c1=O)CCCCCC2 ZINC000634632726 383290902 /nfs/dbraw/zinc/29/09/02/383290902.db2.gz YJKOQAQKHDZIRD-YPMHNXCESA-N -1 1 264.369 2.723 20 0 CFADMM CCCc1[n-]n([C@@H]2CCOC2(C)C)c(=O)c1CC ZINC000634631836 383290956 /nfs/dbraw/zinc/29/09/56/383290956.db2.gz DHQLXWJXAUWALB-ZYHUDNBSSA-N -1 1 252.358 2.578 20 0 CFADMM CCc1c(=O)n(-c2ccc(CC(=O)[O-])cc2)[nH]c1C(C)C ZINC000634633389 383292236 /nfs/dbraw/zinc/29/22/36/383292236.db2.gz UMPFORWNNKZWCN-CYBMUJFWSA-N -1 1 288.347 2.699 20 0 CFADMM C[C@H]1CCc2c(=O)n(CCCOCc3ccccc3)[n-]c21 ZINC000634634696 383293466 /nfs/dbraw/zinc/29/34/66/383293466.db2.gz GYGXMLOKXNWUTF-DZGCQCFKSA-N -1 1 286.375 2.838 20 0 CFADMM CCCS(=O)(=O)[N-]c1n[nH]c(C)c1-c1cccc(F)c1 ZINC000634662781 383298380 /nfs/dbraw/zinc/29/83/80/383298380.db2.gz SFHOQWAEUXMNEO-UHFFFAOYSA-N -1 1 297.355 2.676 20 0 CFADMM C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1ncccc1O ZINC000521894534 383314797 /nfs/dbraw/zinc/31/47/97/383314797.db2.gz SDDGCCVEKXIVRF-AWEZNQCLSA-N -1 1 286.375 2.560 20 0 CFADMM C[C@H](C(=O)[O-])N1CCc2ccc(C(F)(F)F)cc2C1 ZINC000634692838 383324239 /nfs/dbraw/zinc/32/42/39/383324239.db2.gz KUNDIEKNFTVFSN-MRVPVSSYSA-N -1 1 273.254 2.537 20 0 CFADMM CCOC(=O)c1nc(C)[nH]c1NC(=O)C[C@H](CC)C(C)C ZINC000525664013 383403152 /nfs/dbraw/zinc/40/31/52/383403152.db2.gz MVLHLXXTLDHEQL-NSHDSACASA-N -1 1 295.383 2.906 20 0 CFADMM C[C@H]1C[C@H](c2ccccc2)CN1Cc1nc(C(=O)[O-])co1 ZINC000568062906 383352075 /nfs/dbraw/zinc/35/20/75/383352075.db2.gz UVXKGYCTJIYOTC-AAEUAGOBSA-N -1 1 286.331 2.751 20 0 CFADMM CC(C)CO[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1 ZINC000568066984 383353685 /nfs/dbraw/zinc/35/36/85/383353685.db2.gz IZOPTYFOYNXZAI-GJZGRUSLSA-N -1 1 277.364 2.559 20 0 CFADMM CC(=O)c1ccc(CC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340326765 383413312 /nfs/dbraw/zinc/41/33/12/383413312.db2.gz CHUALIXVLLWFSX-UHFFFAOYSA-N -1 1 287.290 2.915 20 0 CFADMM CC(C)N(C)c1ccccc1NC(=O)c1cncc([O-])c1 ZINC000425289864 383360452 /nfs/dbraw/zinc/36/04/52/383360452.db2.gz NRSKDEACJNMPJP-UHFFFAOYSA-N -1 1 285.347 2.884 20 0 CFADMM CC(C)(C)n1cnnc1SCC(=O)c1ccc([O-])cc1 ZINC000524089378 383365561 /nfs/dbraw/zinc/36/55/61/383365561.db2.gz KUGDBAYJRCTNBK-UHFFFAOYSA-N -1 1 291.376 2.714 20 0 CFADMM CO[C@@H](CSc1ncc(C)c(=O)[n-]1)Cc1ccccc1 ZINC000568783298 383438000 /nfs/dbraw/zinc/43/80/00/383438000.db2.gz SMRQYFNNRRXXOR-CYBMUJFWSA-N -1 1 290.388 2.840 20 0 CFADMM CCc1cc(=O)[n-]c(SCCCCCC(C)=O)n1 ZINC000450911494 383546682 /nfs/dbraw/zinc/54/66/82/383546682.db2.gz RJCCATACQVXEJV-UHFFFAOYSA-N -1 1 268.382 2.986 20 0 CFADMM CCC1(CC)CCN(Cc2cc(C(=O)[O-])nn2C)CC1 ZINC000635312350 383528957 /nfs/dbraw/zinc/52/89/57/383528957.db2.gz YRAGRBRLPSGWQO-UHFFFAOYSA-N -1 1 279.384 2.521 20 0 CFADMM Cc1ccc(C2(NCc3cc(C(=O)[O-])nn3C)CCC2)cc1 ZINC000635310901 383529089 /nfs/dbraw/zinc/52/90/89/383529089.db2.gz JOFWMSUQLUTIMW-UHFFFAOYSA-N -1 1 299.374 2.596 20 0 CFADMM COC(=O)c1c[n-]c(SC[C@@H]2CCCC2(F)F)n1 ZINC000450897311 383541093 /nfs/dbraw/zinc/54/10/93/383541093.db2.gz AIXQZRGZZWYGKT-ZETCQYMHSA-N -1 1 276.308 2.724 20 0 CFADMM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)CC(F)F ZINC000645796419 383751101 /nfs/dbraw/zinc/75/11/01/383751101.db2.gz UWUFFYOXDFJLBE-ZETCQYMHSA-N -1 1 299.289 2.534 20 0 CFADMM CC1(C)SC[C@H]1NC(=O)N=c1[n-]sc2ccccc21 ZINC000640338605 383765867 /nfs/dbraw/zinc/76/58/67/383765867.db2.gz FRYCDFJHNZXIKL-SNVBAGLBSA-N -1 1 293.417 2.734 20 0 CFADMM COCC[C@H](C)CNC(=O)N=c1[n-]sc2ccccc21 ZINC000640337635 383765907 /nfs/dbraw/zinc/76/59/07/383765907.db2.gz JJYLSFFWMKSGQG-JTQLQIEISA-N -1 1 293.392 2.512 20 0 CFADMM COCC(C)(C)CNC(=O)N=c1[n-]sc2ccccc21 ZINC000640340560 383767032 /nfs/dbraw/zinc/76/70/32/383767032.db2.gz VZFZLVUHVZQYIJ-UHFFFAOYSA-N -1 1 293.392 2.512 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)Cc2ccccc2C)c1 ZINC000436501617 383825005 /nfs/dbraw/zinc/82/50/05/383825005.db2.gz DMPVBNHZGPEMHQ-UHFFFAOYSA-N -1 1 299.326 2.668 20 0 CFADMM O=C(c1c(F)ccc([O-])c1F)N1C[C@@H]2CCC[C@H]2C1 ZINC000280978630 195054867 /nfs/dbraw/zinc/05/48/67/195054867.db2.gz LCKOLFFCCOUGKD-IUCAKERBSA-N -1 1 267.275 2.543 20 0 CFADMM O=C(N[C@H]1CCCn2nccc21)c1ccc(Cl)cc1[O-] ZINC000636380929 383783894 /nfs/dbraw/zinc/78/38/94/383783894.db2.gz JBNOJJOYDSHYMR-NSHDSACASA-N -1 1 291.738 2.507 20 0 CFADMM CCc1cc(=O)[n-]c(SCC2(OC)CCCC2)n1 ZINC000436211915 383789221 /nfs/dbraw/zinc/78/92/21/383789221.db2.gz SGFIZZKYYUGBHF-UHFFFAOYSA-N -1 1 268.382 2.796 20 0 CFADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCc2cccc(O)c21 ZINC000645926957 383797337 /nfs/dbraw/zinc/79/73/37/383797337.db2.gz YBOVRQRWJAYZNY-SNVBAGLBSA-N -1 1 287.290 2.905 20 0 CFADMM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1c([O-])cccc1F ZINC000645926941 383797647 /nfs/dbraw/zinc/79/76/47/383797647.db2.gz VMQZPSJJLXTQKS-JOYOIKCWSA-N -1 1 267.300 2.675 20 0 CFADMM CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000436563524 383837765 /nfs/dbraw/zinc/83/77/65/383837765.db2.gz HNGZPZAYJIUQCG-UKRRQHHQSA-N -1 1 295.354 2.855 20 0 CFADMM COCCN(C(=O)c1ccc([O-])cc1F)[C@H]1CC[C@@H](C)C1 ZINC000436594150 383850164 /nfs/dbraw/zinc/85/01/64/383850164.db2.gz HWHNXQOHZCILBB-NEPJUHHUSA-N -1 1 295.354 2.809 20 0 CFADMM CO[C@@H](C)[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436603747 383852601 /nfs/dbraw/zinc/85/26/01/383852601.db2.gz BEEWMWULMPQKKY-SFYZADRCSA-N -1 1 291.269 2.564 20 0 CFADMM C[C@H](Cc1cccc(O)c1)NC(=O)c1ccc([O-])cc1F ZINC000436614829 383855361 /nfs/dbraw/zinc/85/53/61/383855361.db2.gz BGLFLDCGLKACKL-SNVBAGLBSA-N -1 1 289.306 2.598 20 0 CFADMM CC(C)c1cccnc1NC(=O)c1ccc(O)cc1[O-] ZINC000436628916 383858045 /nfs/dbraw/zinc/85/80/45/383858045.db2.gz HVITYJAKUAITGY-UHFFFAOYSA-N -1 1 272.304 2.869 20 0 CFADMM Cc1noc([C@H](C)NC(=O)c2ccc3ccccc3c2[O-])n1 ZINC000436631825 383859637 /nfs/dbraw/zinc/85/96/37/383859637.db2.gz XERRGJNJNBHOKQ-VIFPVBQESA-N -1 1 297.314 2.728 20 0 CFADMM COc1cc(C)cc(NC(=O)c2ccc(O)cc2[O-])c1C ZINC000436717505 383880600 /nfs/dbraw/zinc/88/06/00/383880600.db2.gz GMAMONONKCGOLO-UHFFFAOYSA-N -1 1 287.315 2.976 20 0 CFADMM CCC1(CNC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000280995962 195061252 /nfs/dbraw/zinc/06/12/52/195061252.db2.gz MELVQCPGQQAHAY-UHFFFAOYSA-N -1 1 255.264 2.590 20 0 CFADMM O=C(N[C@H](CO)CC1CCC1)c1cc2ccccc2cc1[O-] ZINC000436677910 383871465 /nfs/dbraw/zinc/87/14/65/383871465.db2.gz ZCEKPUYSCXURAQ-HNNXBMFYSA-N -1 1 299.370 2.826 20 0 CFADMM CCOC(=O)Cc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000436536600 383832470 /nfs/dbraw/zinc/83/24/70/383832470.db2.gz NEONHNSXLFSJQS-UHFFFAOYSA-N -1 1 299.326 2.750 20 0 CFADMM CCOc1ccccc1CNC(=O)c1cc(F)ccc1[O-] ZINC000436550238 383834050 /nfs/dbraw/zinc/83/40/50/383834050.db2.gz RQFYAAADOZRBSJ-UHFFFAOYSA-N -1 1 289.306 2.860 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC23CCCC3)c1 ZINC000573460204 383935218 /nfs/dbraw/zinc/93/52/18/383935218.db2.gz FJUFZWMSUDCZLY-NSHDSACASA-N -1 1 289.331 2.698 20 0 CFADMM CSc1nc(CNC(=O)C[C@H](C)CC(C)C)cc(=O)[n-]1 ZINC000640659540 383881923 /nfs/dbraw/zinc/88/19/23/383881923.db2.gz YQQSMJYMROWYTK-SNVBAGLBSA-N -1 1 297.424 2.593 20 0 CFADMM O=C(Nc1cnc2c(c1)CCCC2)c1ccccc1[O-] ZINC000436737813 383885163 /nfs/dbraw/zinc/88/51/63/383885163.db2.gz RLEDFHGMEOVKSL-UHFFFAOYSA-N -1 1 268.316 2.918 20 0 CFADMM Cc1ccc(OCCNC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436748626 383888188 /nfs/dbraw/zinc/88/81/88/383888188.db2.gz UBRUXNDOFMPNMY-UHFFFAOYSA-N -1 1 289.306 2.649 20 0 CFADMM COCCN(C(=O)c1cc(F)ccc1[O-])[C@@H]1CCC[C@H]1C ZINC000436744599 383888230 /nfs/dbraw/zinc/88/82/30/383888230.db2.gz NSIMHLQSBUVTHM-BXUZGUMPSA-N -1 1 295.354 2.809 20 0 CFADMM O=C(N[C@@H]1CC[C@H](F)C1)c1cc(Cl)ccc1[O-] ZINC000436744267 383888301 /nfs/dbraw/zinc/88/83/01/383888301.db2.gz KWVCNUZTLRCVJG-DTWKUNHWSA-N -1 1 257.692 2.666 20 0 CFADMM O=C(NCC1(c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000436757673 383889947 /nfs/dbraw/zinc/88/99/47/383889947.db2.gz WBDBYESFITVLGF-UHFFFAOYSA-N -1 1 285.318 2.993 20 0 CFADMM CC(C)c1ccc(C(=O)Nc2cccc(C(N)=O)c2)c([O-])c1 ZINC000436752648 383890826 /nfs/dbraw/zinc/89/08/26/383890826.db2.gz BVTGDYPDDCIXCR-UHFFFAOYSA-N -1 1 298.342 2.867 20 0 CFADMM O=C(NCC(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000436764140 383893645 /nfs/dbraw/zinc/89/36/45/383893645.db2.gz PHDAMEOEBGRBIO-UHFFFAOYSA-N -1 1 287.159 2.703 20 0 CFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(F)(F)C1 ZINC000436778215 383895298 /nfs/dbraw/zinc/89/52/98/383895298.db2.gz QUFDFVNIWVQPGZ-UHFFFAOYSA-N -1 1 295.207 2.892 20 0 CFADMM CC[C@H](SC)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000438301442 383980206 /nfs/dbraw/zinc/98/02/06/383980206.db2.gz GHETVJFYDFGWMJ-LBPRGKRZSA-N -1 1 291.376 2.862 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccc(OCC(C)C)c1 ZINC000646409252 383988542 /nfs/dbraw/zinc/98/85/42/383988542.db2.gz LKKLSQWFNFVJSH-UHFFFAOYSA-N -1 1 289.335 2.711 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(C2CCC2)cc1 ZINC000646409692 383989594 /nfs/dbraw/zinc/98/95/94/383989594.db2.gz SKWRPUFHUVMNAH-UHFFFAOYSA-N -1 1 271.320 2.944 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000646411717 383991849 /nfs/dbraw/zinc/99/18/49/383991849.db2.gz OYFOLWURFFLJOJ-UHFFFAOYSA-N -1 1 286.118 2.983 20 0 CFADMM CCc1[nH]nc([N-]S(=O)(=O)Cc2ccccc2C)c1C ZINC000438234495 383973209 /nfs/dbraw/zinc/97/32/09/383973209.db2.gz BDFKJLPGEFLAPY-UHFFFAOYSA-N -1 1 293.392 2.531 20 0 CFADMM CCc1occc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000438257457 383975908 /nfs/dbraw/zinc/97/59/08/383975908.db2.gz LUGXUXFWBGFDOY-UHFFFAOYSA-N -1 1 287.344 2.968 20 0 CFADMM CCCc1cc(=O)[n-]c(SC[C@H]2CCCOC2)n1 ZINC000532385890 384021290 /nfs/dbraw/zinc/02/12/90/384021290.db2.gz GBKIBCBFUGWZKU-JTQLQIEISA-N -1 1 268.382 2.653 20 0 CFADMM Cc1cccc(CC(=O)[N-]O[C@@H]2CCCCO2)c1Cl ZINC000277246428 384242996 /nfs/dbraw/zinc/24/29/96/384242996.db2.gz NSDLYDGKKSYRSP-CYBMUJFWSA-N -1 1 283.755 2.765 20 0 CFADMM O=C([N-]N1CCCCC1=O)c1c(Cl)cccc1Cl ZINC000266982284 384272580 /nfs/dbraw/zinc/27/25/80/384272580.db2.gz GDXGRXCEUABPJM-UHFFFAOYSA-N -1 1 287.146 2.651 20 0 CFADMM COc1cccc([C@@H](CC(=O)[O-])NCc2occc2C)c1 ZINC000277460224 384307751 /nfs/dbraw/zinc/30/77/51/384307751.db2.gz VMYHWUBUIJVRGM-CQSZACIVSA-N -1 1 289.331 2.902 20 0 CFADMM CCCN(CC(=O)[O-])Cc1oc(-c2ccccc2)nc1C ZINC000641791664 384354423 /nfs/dbraw/zinc/35/44/23/384354423.db2.gz HOSGJFWPNDCOJF-UHFFFAOYSA-N -1 1 288.347 2.947 20 0 CFADMM CCOc1cc(-c2noc(COC)n2)cc(Cl)c1[O-] ZINC000277810769 384412828 /nfs/dbraw/zinc/41/28/28/384412828.db2.gz GQBPRBIZFKGSHC-UHFFFAOYSA-N -1 1 284.699 2.641 20 0 CFADMM CCO[C@H]1C[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000277898868 384435396 /nfs/dbraw/zinc/43/53/96/384435396.db2.gz DLILYUSAUJABEQ-KOLCDFICSA-N -1 1 280.711 2.988 20 0 CFADMM COC(=O)N[C@@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278080778 384472040 /nfs/dbraw/zinc/47/20/40/384472040.db2.gz GIPKRURCKPIMJW-LURJTMIESA-N -1 1 297.698 2.513 20 0 CFADMM [O-]c1ccc(-c2noc(C3(O)CCCC3)n2)c(Cl)c1 ZINC000278096800 384475422 /nfs/dbraw/zinc/47/54/22/384475422.db2.gz HTTGMPAJLRKLFR-UHFFFAOYSA-N -1 1 280.711 2.857 20 0 CFADMM C[C@](O)(Cc1nc(-c2ccc([O-])cc2Cl)no1)C1CC1 ZINC000278283742 384516451 /nfs/dbraw/zinc/51/64/51/384516451.db2.gz WKLRPAYRALMWIL-AWEZNQCLSA-N -1 1 294.738 2.799 20 0 CFADMM O=C(c1cncc([O-])c1)N(CC1CCC1)CC(F)(F)F ZINC000279371058 384615612 /nfs/dbraw/zinc/61/56/12/384615612.db2.gz HACOFHCHZGGTKR-UHFFFAOYSA-N -1 1 288.269 2.592 20 0 CFADMM O=C(C[C@@H]1CSCCS1)Nc1ccc(F)cc1[O-] ZINC000269870115 384888525 /nfs/dbraw/zinc/88/85/25/384888525.db2.gz UFTSZBULYRKGTK-SECBINFHSA-N -1 1 287.381 2.709 20 0 CFADMM C[C@@H]1OCCC[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000289159750 197249661 /nfs/dbraw/zinc/24/96/61/197249661.db2.gz UMHQOWUVEBQCKF-WPRPVWTQSA-N -1 1 278.283 2.864 20 0 CFADMM CCSCC[C@@H](C)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000280768947 385147159 /nfs/dbraw/zinc/14/71/59/385147159.db2.gz BPQYWAVAMBFXEQ-LLVKDONJSA-N -1 1 295.404 2.565 20 0 CFADMM C[C@H]1C[C@H](C)CN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000280803197 385160148 /nfs/dbraw/zinc/16/01/48/385160148.db2.gz QKMDWCOKGDSVJL-IUCAKERBSA-N -1 1 269.291 2.789 20 0 CFADMM C[C@H]1CCC[C@H](N(C)C(=O)c2cc(F)cc3nn[nH]c32)C1 ZINC000282171878 385235706 /nfs/dbraw/zinc/23/57/06/385235706.db2.gz VEJLUYVAMVAXOT-ONGXEEELSA-N -1 1 290.342 2.748 20 0 CFADMM C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)O1 ZINC000282662603 385365736 /nfs/dbraw/zinc/36/57/36/385365736.db2.gz MCCPSKARXVVIAN-SXMVTHIZSA-N -1 1 269.728 2.798 20 0 CFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCC1 ZINC000271863625 385395892 /nfs/dbraw/zinc/39/58/92/385395892.db2.gz MCZOWSKTVMEGHU-UHFFFAOYSA-N -1 1 259.227 2.647 20 0 CFADMM O=C([O-])c1cccc(CN2CCOC[C@@H]2CC2CCC2)c1 ZINC000263417908 304259844 /nfs/dbraw/zinc/25/98/44/304259844.db2.gz NWPIIBWFWUTMGC-INIZCTEOSA-N -1 1 289.375 2.776 20 0 CFADMM CO[C@H](C)c1nc(=NC[C@@H]2CCC[C@@H]2C2CC2)s[n-]1 ZINC000413477791 533120324 /nfs/dbraw/zinc/12/03/24/533120324.db2.gz HJULTSYXNNNNJW-ADEWGFFLSA-N -1 1 281.425 2.906 20 0 CFADMM COc1ccc(CCNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681014201 542398790 /nfs/dbraw/zinc/39/87/90/542398790.db2.gz DPXCGTLEWDZVFF-UHFFFAOYSA-N -1 1 289.306 2.512 20 0 CFADMM O=C(NCCc1ccc(F)cc1)c1ccc([O-])c(F)c1 ZINC000681014208 542398905 /nfs/dbraw/zinc/39/89/05/542398905.db2.gz FEWAMTDHFXOTMW-UHFFFAOYSA-N -1 1 277.270 2.643 20 0 CFADMM COc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681015958 542399697 /nfs/dbraw/zinc/39/96/97/542399697.db2.gz WEKOZKZOVUVIPR-UHFFFAOYSA-N -1 1 261.252 2.792 20 0 CFADMM COCC[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccco1 ZINC000272777440 385612772 /nfs/dbraw/zinc/61/27/72/385612772.db2.gz FDWRUSSLIPRSEF-LBPRGKRZSA-N -1 1 293.294 2.632 20 0 CFADMM COCC[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccco1 ZINC000272777437 385612935 /nfs/dbraw/zinc/61/29/35/385612935.db2.gz FDWRUSSLIPRSEF-GFCCVEGCSA-N -1 1 293.294 2.632 20 0 CFADMM CCOc1ncccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681018012 542400468 /nfs/dbraw/zinc/40/04/68/542400468.db2.gz HXCQCYKSAQBJDN-UHFFFAOYSA-N -1 1 276.267 2.577 20 0 CFADMM CCCCc1nnc(NC(=O)c2ccc([O-])c(F)c2)s1 ZINC000681020884 542400910 /nfs/dbraw/zinc/40/09/10/542400910.db2.gz FOQSWLRBTSEYIH-UHFFFAOYSA-N -1 1 295.339 2.978 20 0 CFADMM COCCN(C(=O)c1ccc([O-])c(F)c1)C1CCCC1 ZINC000681020885 542400784 /nfs/dbraw/zinc/40/07/84/542400784.db2.gz FPFNGOLDZHPONY-UHFFFAOYSA-N -1 1 281.327 2.563 20 0 CFADMM N=c1[n-]nc([C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)o1 ZINC000639822596 385726048 /nfs/dbraw/zinc/72/60/48/385726048.db2.gz QLSHUOIXNCRBFD-LLVKDONJSA-N -1 1 292.770 2.515 20 0 CFADMM N=c1[n-]nc([C@H]2CCCN(Cc3ccc(Cl)cc3)C2)o1 ZINC000639822597 385726092 /nfs/dbraw/zinc/72/60/92/385726092.db2.gz QLSHUOIXNCRBFD-NSHDSACASA-N -1 1 292.770 2.515 20 0 CFADMM Cc1occc1CN(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681020517 542401080 /nfs/dbraw/zinc/40/10/80/542401080.db2.gz DHNCRVOFULZFHG-UHFFFAOYSA-N -1 1 263.268 2.705 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCCC2(CCOCC2)C1 ZINC000275164922 385949800 /nfs/dbraw/zinc/94/98/00/385949800.db2.gz VLMQEDAZGRSQMP-UHFFFAOYSA-N -1 1 293.338 2.564 20 0 CFADMM C[C@@H](c1cccnc1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681032865 542402311 /nfs/dbraw/zinc/40/23/11/542402311.db2.gz VDPCRGLIKFKFJY-JTQLQIEISA-N -1 1 274.295 2.760 20 0 CFADMM C[C@@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681032873 542402518 /nfs/dbraw/zinc/40/25/18/542402518.db2.gz VLNBKWNKXZCNNV-SNVBAGLBSA-N -1 1 251.301 2.794 20 0 CFADMM C[C@H](CCc1cccn1C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681050416 542404526 /nfs/dbraw/zinc/40/45/26/542404526.db2.gz FUAZLSYWERVIOL-LLVKDONJSA-N -1 1 290.338 2.621 20 0 CFADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([O-])c(F)c2)C1(C)C ZINC000681048552 542404568 /nfs/dbraw/zinc/40/45/68/542404568.db2.gz APHDFXKLGDNPTM-KGLIPLIRSA-N -1 1 295.354 2.807 20 0 CFADMM Cc1nc(C)c(NC(=O)c2ccc([O-])c(F)c2)s1 ZINC000681054925 542405086 /nfs/dbraw/zinc/40/50/86/542405086.db2.gz HVOLPNYYNVKKFE-UHFFFAOYSA-N -1 1 266.297 2.857 20 0 CFADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)sn1 ZINC000681089447 542409215 /nfs/dbraw/zinc/40/92/15/542409215.db2.gz IZFVPLYDMFUUMF-UHFFFAOYSA-N -1 1 252.270 2.549 20 0 CFADMM CCC1(CC)[C@H](NC(=O)c2ccc([O-])c(F)c2)C[C@H]1OC ZINC000681057233 542406049 /nfs/dbraw/zinc/40/60/49/542406049.db2.gz MCBYFUIQEMSAJT-ZIAGYGMSSA-N -1 1 295.354 2.855 20 0 CFADMM O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1ccc([O-])c(F)c1 ZINC000681058391 542406659 /nfs/dbraw/zinc/40/66/59/542406659.db2.gz LMBLCNOXJLNATD-IAOVAPTHSA-N -1 1 297.329 2.990 20 0 CFADMM O=C(Nc1cc(F)ccc1O)c1ccc([O-])c(F)c1 ZINC000681059602 542406666 /nfs/dbraw/zinc/40/66/66/542406666.db2.gz ZGTDJAVOQKHVMR-UHFFFAOYSA-N -1 1 265.215 2.628 20 0 CFADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc([O-])c(F)c1 ZINC000681063578 542406671 /nfs/dbraw/zinc/40/66/71/542406671.db2.gz BTJQXHGKZHGIBW-KOLCDFICSA-N -1 1 251.301 2.934 20 0 CFADMM CCc1cnccc1[C@@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681064049 542406676 /nfs/dbraw/zinc/40/66/76/542406676.db2.gz LZZMKTLEWPKYRD-SNVBAGLBSA-N -1 1 288.322 2.980 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000681062897 542406704 /nfs/dbraw/zinc/40/67/04/542406704.db2.gz ZUEUWVRVEIXZAI-DGCLKSJQSA-N -1 1 291.322 2.505 20 0 CFADMM Cc1cccc2[nH]c(CNC(=O)c3ccc([O-])c(F)c3)nc21 ZINC000681063092 542406773 /nfs/dbraw/zinc/40/67/73/542406773.db2.gz ODPMVFVRHAWTKJ-UHFFFAOYSA-N -1 1 299.305 2.646 20 0 CFADMM Cc1cccc2nc(CNC(=O)c3ccc([O-])c(F)c3)[nH]c21 ZINC000681063092 542406780 /nfs/dbraw/zinc/40/67/80/542406780.db2.gz ODPMVFVRHAWTKJ-UHFFFAOYSA-N -1 1 299.305 2.646 20 0 CFADMM CC1(C)C[C@H](NC(=O)c2ccc([O-])c(F)c2)C(C)(C)O1 ZINC000681065631 542407356 /nfs/dbraw/zinc/40/73/56/542407356.db2.gz WCKNDAYHRDPMPK-LBPRGKRZSA-N -1 1 281.327 2.607 20 0 CFADMM O=C(CCC(=O)c1ccccn1)Nc1c([O-])cccc1F ZINC000681197819 542423360 /nfs/dbraw/zinc/42/33/60/542423360.db2.gz VTTWZYNTODOKTI-UHFFFAOYSA-N -1 1 288.278 2.528 20 0 CFADMM CCC(=O)[C@H]1CCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681330818 542441064 /nfs/dbraw/zinc/44/10/64/542441064.db2.gz CVPPZCCRIMVNSF-GFCCVEGCSA-N -1 1 279.311 2.505 20 0 CFADMM CCC[C@@H](NC(=O)c1ncc(C)cc1[O-])c1ccccn1 ZINC000681724989 542482238 /nfs/dbraw/zinc/48/22/38/542482238.db2.gz GIYCAJGMEHCBKD-CYBMUJFWSA-N -1 1 285.347 2.762 20 0 CFADMM CC1(C)CC(CNC(=O)c2ccc([O-])c(F)c2)C1 ZINC000682025747 542506773 /nfs/dbraw/zinc/50/67/73/542506773.db2.gz PLJNFZOBVKYEHZ-UHFFFAOYSA-N -1 1 251.301 2.697 20 0 CFADMM COCC(C)(C)CC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000824332749 781989271 /nfs/dbraw/zinc/98/92/71/781989271.db2.gz SETPHHSXPUEFIP-UHFFFAOYSA-N -1 1 273.279 2.672 20 0 CFADMM COCc1ncsc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000284026972 195965092 /nfs/dbraw/zinc/96/50/92/195965092.db2.gz RXFHOHRITFRIIE-UHFFFAOYSA-N -1 1 298.393 2.517 20 0 CFADMM COc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000426783714 533517240 /nfs/dbraw/zinc/51/72/40/533517240.db2.gz KGUZFXDGKKTUTF-HNNXBMFYSA-N -1 1 289.306 2.750 20 0 CFADMM COCCN(C(=O)c1ccc([O-])c(F)c1)[C@@H]1CC[C@@H](C)C1 ZINC000682990755 542622590 /nfs/dbraw/zinc/62/25/90/542622590.db2.gz XIFHSUFAOBLQIJ-DGCLKSJQSA-N -1 1 295.354 2.809 20 0 CFADMM Cc1ccc(-c2cnc(CN3CC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC000262606424 131239681 /nfs/dbraw/zinc/23/96/81/131239681.db2.gz AYCDINIFJJTKAB-CYBMUJFWSA-N -1 1 286.331 2.557 20 0 CFADMM O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cnn[nH]1 ZINC000194145604 393679363 /nfs/dbraw/zinc/67/93/63/393679363.db2.gz HPTJIETXPVRWJX-HNNXBMFYSA-N -1 1 292.342 2.519 20 0 CFADMM C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[O-])c2nccn21 ZINC000335174603 393649588 /nfs/dbraw/zinc/64/95/88/393649588.db2.gz KNZJGCDSWAJUOG-GZMMTYOYSA-N -1 1 291.738 2.678 20 0 CFADMM CC(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000074936783 393667285 /nfs/dbraw/zinc/66/72/85/393667285.db2.gz XKSGBEJODMUXPV-UHFFFAOYSA-N -1 1 279.764 2.804 20 0 CFADMM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1 ZINC000075082622 393669982 /nfs/dbraw/zinc/66/99/82/393669982.db2.gz GOXPEPYZQKQJID-UHFFFAOYSA-N -1 1 295.335 2.944 20 0 CFADMM Cc1cnc(C(=O)N2CCS[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000335931142 393708510 /nfs/dbraw/zinc/70/85/10/393708510.db2.gz HMNTXMHFFKSVGM-DGCLKSJQSA-N -1 1 292.404 2.596 20 0 CFADMM O=c1cc(C2CC2)nc(SCCCc2cn[nH]c2)[n-]1 ZINC000195079454 393730552 /nfs/dbraw/zinc/73/05/52/393730552.db2.gz HQHFSHXBIVPCOH-UHFFFAOYSA-N -1 1 276.365 2.508 20 0 CFADMM CCCC[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)OC ZINC000195078793 393730606 /nfs/dbraw/zinc/73/06/06/393730606.db2.gz FDJLTPPBGYJXJJ-NSHDSACASA-N -1 1 296.392 2.884 20 0 CFADMM O=C(Nc1ccncc1[O-])c1cc(Cl)c2ccccc2n1 ZINC000339938991 393833883 /nfs/dbraw/zinc/83/38/83/393833883.db2.gz MIPIFAHBHVOAQN-UHFFFAOYSA-N -1 1 299.717 2.663 20 0 CFADMM O=C(NCCOC1CCCCC1)c1c([O-])cccc1F ZINC000228839803 393776174 /nfs/dbraw/zinc/77/61/74/393776174.db2.gz LYISNEUAPKRSAK-UHFFFAOYSA-N -1 1 281.327 2.610 20 0 CFADMM COc1cc2c(cc1F)nccc2N(C)CCCC(=O)[O-] ZINC000416422970 393917496 /nfs/dbraw/zinc/91/74/96/393917496.db2.gz QKKPJHAVDBSZIK-UHFFFAOYSA-N -1 1 292.310 2.684 20 0 CFADMM C[C@H](CC(=O)Nc1cc(-c2nccn2C)n[nH]1)C(C)(C)C ZINC000119376922 393918378 /nfs/dbraw/zinc/91/83/78/393918378.db2.gz VGIYZZIVQGQRRD-SNVBAGLBSA-N -1 1 289.383 2.821 20 0 CFADMM CC[C@@H](C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684869236 542864262 /nfs/dbraw/zinc/86/42/62/542864262.db2.gz PQUKIYDLKNLZAK-SSDOTTSWSA-N -1 1 261.243 2.939 20 0 CFADMM C[C@@H](c1cccc(O)c1)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000684876953 542865055 /nfs/dbraw/zinc/86/50/55/542865055.db2.gz HSXUJGUMGVIITC-NSHDSACASA-N -1 1 299.326 2.500 20 0 CFADMM O=S(=O)([N-]C1(C2CCC2)CCC1)c1sccc1F ZINC000416564216 393929270 /nfs/dbraw/zinc/92/92/70/393929270.db2.gz ZHPRMCUTBYBMBH-UHFFFAOYSA-N -1 1 289.397 2.888 20 0 CFADMM O=S(=O)([N-]C[C@H]1CC12CC2)c1c(F)cccc1Cl ZINC000416649965 393935928 /nfs/dbraw/zinc/93/59/28/393935928.db2.gz PZFCMZLOAYYPIO-MRVPVSSYSA-N -1 1 289.759 2.558 20 0 CFADMM O=S(=O)([N-]C[C@@H]1CC12CC2)c1c(F)cccc1Cl ZINC000416649968 393936029 /nfs/dbraw/zinc/93/60/29/393936029.db2.gz PZFCMZLOAYYPIO-QMMMGPOBSA-N -1 1 289.759 2.558 20 0 CFADMM C[N@H+]1CCCC(C)(C)[C@H]1CNCc1c(F)ccc(O)c1F ZINC000353253657 394027300 /nfs/dbraw/zinc/02/73/00/394027300.db2.gz LVJFIKCHVHTVRU-CQSZACIVSA-N -1 1 298.377 2.880 20 0 CFADMM O=C([O-])c1cnc(/C=C/c2cc(F)c(O)c(F)c2)s1 ZINC000436773887 394022188 /nfs/dbraw/zinc/02/21/88/394022188.db2.gz RGXHHAAEFHCGCG-OWOJBTEDSA-N -1 1 283.255 2.996 20 0 CFADMM CSCCN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000122893160 393972877 /nfs/dbraw/zinc/97/28/77/393972877.db2.gz VOCLLOJPTYDJNF-UHFFFAOYSA-N -1 1 275.373 2.980 20 0 CFADMM O=C([O-])C[C@H](NCc1ccco1)c1ccsc1 ZINC000417540274 393973449 /nfs/dbraw/zinc/97/34/49/393973449.db2.gz WSJCMBFKNBUKAW-NSHDSACASA-N -1 1 251.307 2.647 20 0 CFADMM COc1cc(CNCc2cc(C(=O)[O-])co2)ccc1C ZINC000417551167 393974093 /nfs/dbraw/zinc/97/40/93/393974093.db2.gz YPLWHERVAAKFCU-UHFFFAOYSA-N -1 1 275.304 2.585 20 0 CFADMM Cc1cc(C)cc(C[C@H](NCc2ccco2)C(=O)[O-])c1 ZINC000417573957 393978364 /nfs/dbraw/zinc/97/83/64/393978364.db2.gz QWTVVOLGMOUXOX-HNNXBMFYSA-N -1 1 273.332 2.682 20 0 CFADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc3c[nH]nc3c2)o1 ZINC000417578634 393978503 /nfs/dbraw/zinc/97/85/03/393978503.db2.gz ZAAYXMNPHIPHCP-CQSZACIVSA-N -1 1 299.330 2.770 20 0 CFADMM COc1ccc(C(=O)Nc2ccnn2CC(C)C)c([O-])c1 ZINC000123397733 393979834 /nfs/dbraw/zinc/97/98/34/393979834.db2.gz JTJYJCCKIYNQNT-UHFFFAOYSA-N -1 1 289.335 2.506 20 0 CFADMM CCOC[C@H](NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000417600137 393982117 /nfs/dbraw/zinc/98/21/17/393982117.db2.gz FPBVSAMSGWFMPO-ZETCQYMHSA-N -1 1 298.191 2.634 20 0 CFADMM CCOC[C@H](NCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000417609819 393982621 /nfs/dbraw/zinc/98/26/21/393982621.db2.gz RMGXDFNYCGBHMC-ZETCQYMHSA-N -1 1 298.191 2.634 20 0 CFADMM Cc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)nc1 ZINC000417636103 393988110 /nfs/dbraw/zinc/98/81/10/393988110.db2.gz XFPSAGCTNATJMS-CVEARBPZSA-N -1 1 282.343 2.793 20 0 CFADMM [O-]c1ccc(-c2noc(/C=C/[C@@H]3CCCO3)n2)cc1F ZINC000351328987 393992095 /nfs/dbraw/zinc/99/20/95/393992095.db2.gz RHMBLCQNSLRNBC-RWCYGVJQSA-N -1 1 276.267 2.774 20 0 CFADMM C[C@@H]1C[C@H]1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000352500839 394015127 /nfs/dbraw/zinc/01/51/27/394015127.db2.gz YLPZBKHCMJERAQ-KOLCDFICSA-N -1 1 271.320 2.767 20 0 CFADMM C[C@H]1c2ccccc2CCN1C(=O)c1ncccc1[O-] ZINC000126832173 394037397 /nfs/dbraw/zinc/03/73/97/394037397.db2.gz NPMYNZPNQPYJMF-NSHDSACASA-N -1 1 268.316 2.547 20 0 CFADMM O=C(NCCSCC(F)(F)F)c1c([O-])cccc1F ZINC000436974938 394039651 /nfs/dbraw/zinc/03/96/51/394039651.db2.gz DMNRPAVKAAITTI-UHFFFAOYSA-N -1 1 297.273 2.557 20 0 CFADMM COC1CCC(CCNC(=O)c2cc(F)ccc2[O-])CC1 ZINC000436986162 394040631 /nfs/dbraw/zinc/04/06/31/394040631.db2.gz GGWGQLKPVVAPIB-UHFFFAOYSA-N -1 1 295.354 2.856 20 0 CFADMM O=C(N[C@H]1CCc2c1cccc2O)c1c([O-])cccc1F ZINC000436980416 394040817 /nfs/dbraw/zinc/04/08/17/394040817.db2.gz PYFUCPJZSUPJBU-LBPRGKRZSA-N -1 1 287.290 2.654 20 0 CFADMM CO[C@@H](C)c1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436990242 394041845 /nfs/dbraw/zinc/04/18/45/394041845.db2.gz UVKAZUCZGQUOCQ-NSHDSACASA-N -1 1 299.326 2.921 20 0 CFADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000437001494 394042721 /nfs/dbraw/zinc/04/27/21/394042721.db2.gz PNANJUAXCVKXRJ-WDEREUQCSA-N -1 1 285.265 2.939 20 0 CFADMM CCCCn1ncc(NC(=O)c2ccccc2[O-])c1C ZINC000127320023 394047378 /nfs/dbraw/zinc/04/73/78/394047378.db2.gz PIZDIXSYNWGZJQ-UHFFFAOYSA-N -1 1 273.336 2.950 20 0 CFADMM O=C(/C=C/c1c(F)cccc1F)[N-]O[C@H]1CCCCO1 ZINC000128131301 394064116 /nfs/dbraw/zinc/06/41/16/394064116.db2.gz KZBIYWICXICGLV-NPQIQWPPSA-N -1 1 283.274 2.552 20 0 CFADMM Cc1cnc([C@@H](C)NC(=O)c2c([O-])cccc2F)s1 ZINC000128473705 394070657 /nfs/dbraw/zinc/07/06/57/394070657.db2.gz MZMZUVKVQVCBNN-MRVPVSSYSA-N -1 1 280.324 2.787 20 0 CFADMM CC(C)[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000128682517 394075311 /nfs/dbraw/zinc/07/53/11/394075311.db2.gz JWFFEJUOXMZFLB-LBPRGKRZSA-N -1 1 251.301 2.792 20 0 CFADMM CC(C)c1noc(=N[C@@H](C)[C@@H](c2ccccc2)N(C)C)[n-]1 ZINC000357657056 394090913 /nfs/dbraw/zinc/09/09/13/394090913.db2.gz FGBFLLMOTDJQDM-JSGCOSHPSA-N -1 1 288.395 2.718 20 0 CFADMM Cc1ccncc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000439074848 394097153 /nfs/dbraw/zinc/09/71/53/394097153.db2.gz XLEKZSUTLAJZJZ-UHFFFAOYSA-N -1 1 294.314 2.738 20 0 CFADMM NC(=O)[C@H]([N-]c1nc2cc(F)ccc2o1)c1ccccc1 ZINC000358207170 394097871 /nfs/dbraw/zinc/09/78/71/394097871.db2.gz CMIFCKLQFIPCCY-CYBMUJFWSA-N -1 1 285.278 2.605 20 0 CFADMM O=C(NCC1(C(F)F)CC1)c1cc(Cl)ccc1[O-] ZINC000436852326 394028785 /nfs/dbraw/zinc/02/87/85/394028785.db2.gz PBHXLLINWRSHEC-UHFFFAOYSA-N -1 1 275.682 2.821 20 0 CFADMM C[C@@H]1CCC[C@@H](CCNC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436898459 394032653 /nfs/dbraw/zinc/03/26/53/394032653.db2.gz XTTJIDDGZXVDHA-OLZOCXBDSA-N -1 1 289.375 2.908 20 0 CFADMM CC[C@@H](C[C@H](C)CO)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436905345 394033709 /nfs/dbraw/zinc/03/37/09/394033709.db2.gz NVMWSFMHTFCXKG-ONGXEEELSA-N -1 1 285.771 2.573 20 0 CFADMM CC(C)(CF)NC(=O)c1cc(Br)ccc1[O-] ZINC000436925406 394034752 /nfs/dbraw/zinc/03/47/52/394034752.db2.gz ZRPURWIIVUQQQB-UHFFFAOYSA-N -1 1 290.132 2.633 20 0 CFADMM CC(C)(C)CC[C@H](CO)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436931149 394036341 /nfs/dbraw/zinc/03/63/41/394036341.db2.gz JONRUMJXLDWTDW-LLVKDONJSA-N -1 1 299.798 2.963 20 0 CFADMM CCc1ccccc1[C@H]([NH3+])CNc1nnc(C(F)F)s1 ZINC000420284766 394115804 /nfs/dbraw/zinc/11/58/04/394115804.db2.gz UZIOSGKMGZJKMD-SNVBAGLBSA-N -1 1 298.362 2.572 20 0 CFADMM CCc1ccccc1[C@H](N)CN=c1[n-]nc(C(F)F)s1 ZINC000420284766 394115807 /nfs/dbraw/zinc/11/58/07/394115807.db2.gz UZIOSGKMGZJKMD-SNVBAGLBSA-N -1 1 298.362 2.572 20 0 CFADMM COc1cc(F)cc(CNC(=O)c2c([O-])cccc2F)c1 ZINC000131202878 394128190 /nfs/dbraw/zinc/12/81/90/394128190.db2.gz IWNZNBAGPFBOFW-UHFFFAOYSA-N -1 1 293.269 2.609 20 0 CFADMM CCCC1(CNC(=O)c2nc3ccccc3c(=O)[n-]2)CCC1 ZINC000133130168 394169428 /nfs/dbraw/zinc/16/94/28/394169428.db2.gz MEWBZSFOTPVYFN-UHFFFAOYSA-N -1 1 299.374 2.623 20 0 CFADMM CCCc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)[nH]n1 ZINC000135009040 394208924 /nfs/dbraw/zinc/20/89/24/394208924.db2.gz YESITCJWVISXPG-UHFFFAOYSA-N -1 1 293.392 2.780 20 0 CFADMM O=C(/C=C\[C@@H]1CCOC1)Nc1ccc([O-])c(Cl)c1 ZINC000493384007 394228060 /nfs/dbraw/zinc/22/80/60/394228060.db2.gz JWCPLZIGRHHHCF-RZXPJHQTSA-N -1 1 267.712 2.577 20 0 CFADMM CC[C@@H](C)C(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000134242096 394191376 /nfs/dbraw/zinc/19/13/76/394191376.db2.gz VZBLBJSFLCQUPL-ZCFIWIBFSA-N -1 1 294.298 2.908 20 0 CFADMM CC(=O)c1[n-]c(=N[C@H]2CCc3c2cccc3O)sc1C ZINC000450362380 394290803 /nfs/dbraw/zinc/29/08/03/394290803.db2.gz QUPFKBBOTPHFFT-LBPRGKRZSA-N -1 1 288.372 2.881 20 0 CFADMM C[C@@H]1CC[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)C[C@@H]1C ZINC000294599400 394293132 /nfs/dbraw/zinc/29/31/32/394293132.db2.gz RCPKHSZALZNPOH-CSMHCCOUSA-N -1 1 290.289 2.834 20 0 CFADMM CC[C@@H]1CCCC[C@H]1CN=c1nc(COC)[n-]s1 ZINC000450618106 394300427 /nfs/dbraw/zinc/30/04/27/394300427.db2.gz DPIIZRKIFLGCOE-MNOVXSKESA-N -1 1 269.414 2.735 20 0 CFADMM CCC[C@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)c1nn[n-]n1 ZINC000155474391 394317592 /nfs/dbraw/zinc/31/75/92/394317592.db2.gz WOZGZKWQRPAUET-RYUDHWBXSA-N -1 1 293.415 2.764 20 0 CFADMM C[C@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C1CC1 ZINC000451008954 394346635 /nfs/dbraw/zinc/34/66/35/394346635.db2.gz OANGVYSDGMMXAB-QMMMGPOBSA-N -1 1 283.324 2.649 20 0 CFADMM Cc1cccc(C)c1CS(=O)(=O)[N-][C@H](C)C(C)(F)F ZINC000451069773 394354310 /nfs/dbraw/zinc/35/43/10/394354310.db2.gz MPMSSYDBGPNIHL-LLVKDONJSA-N -1 1 291.363 2.767 20 0 CFADMM CC[C@H]([N-]S(=O)(=O)CCc1ccc(C)cc1)C(F)F ZINC000451081861 394355699 /nfs/dbraw/zinc/35/56/99/394355699.db2.gz LKJDUOAPOMTPBE-LBPRGKRZSA-N -1 1 291.363 2.501 20 0 CFADMM C[C@@]12CCN(Cc3csc(C(=O)[O-])c3)C[C@@H]1C2(F)F ZINC000519767162 394377820 /nfs/dbraw/zinc/37/78/20/394377820.db2.gz IAIQYTSBJYXAMM-CMPLNLGQSA-N -1 1 287.331 2.923 20 0 CFADMM O=C(NCc1ccc(Cl)o1)c1c(F)ccc([O-])c1F ZINC000685417753 542910121 /nfs/dbraw/zinc/91/01/21/542910121.db2.gz VCPZIPQCGIOXTG-UHFFFAOYSA-N -1 1 287.649 2.847 20 0 CFADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000529982132 394438153 /nfs/dbraw/zinc/43/81/53/394438153.db2.gz 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O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@H]1C(F)(F)F ZINC000648940609 395370041 /nfs/dbraw/zinc/37/00/41/395370041.db2.gz SBHCMWGSRHXFOB-PHDIDXHHSA-N -1 1 263.190 2.668 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000648948152 395372145 /nfs/dbraw/zinc/37/21/45/395372145.db2.gz AHERRRWRWOPNAC-JSGCOSHPSA-N -1 1 293.338 2.563 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000648948154 395372211 /nfs/dbraw/zinc/37/22/11/395372211.db2.gz AHERRRWRWOPNAC-TZMCWYRMSA-N -1 1 293.338 2.563 20 0 CFADMM C[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)CC(F)F ZINC000648960417 395375552 /nfs/dbraw/zinc/37/55/52/395375552.db2.gz DRJZPMSMWWKHPF-ZCFIWIBFSA-N -1 1 279.233 2.692 20 0 CFADMM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccccc1F ZINC000647920019 395458194 /nfs/dbraw/zinc/45/81/94/395458194.db2.gz FHJMDIUSLYOEIE-QWHCGFSZSA-N -1 1 287.356 2.525 20 0 CFADMM C[C@@H]1CC2(CN1C(=O)c1ccc([O-])cc1F)CCOCC2 ZINC000649126611 395433870 /nfs/dbraw/zinc/43/38/70/395433870.db2.gz JLDMBZJXVRMTSC-LLVKDONJSA-N 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BOYVZYSEAYGAEF-UHFFFAOYSA-N -1 1 299.783 2.622 20 0 CFADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C2(CCC2)CO1 ZINC000650735667 397873083 /nfs/dbraw/zinc/87/30/83/397873083.db2.gz UZYCHEJASKTZIC-JTQLQIEISA-N -1 1 295.766 2.829 20 0 CFADMM O=C([O-])C[C@@H]1CCCCN1Cc1csc(C2CC2)n1 ZINC000650507275 397815714 /nfs/dbraw/zinc/81/57/14/397815714.db2.gz PHQIIPGYJCNRKU-LBPRGKRZSA-N -1 1 280.393 2.850 20 0 CFADMM O=C([O-])c1cccc(CN2CCC[C@@H]3OCC[C@@H]32)c1Cl ZINC000656756561 413185662 /nfs/dbraw/zinc/18/56/62/413185662.db2.gz GBSOVSUZHLLUIZ-STQMWFEESA-N -1 1 295.766 2.792 20 0 CFADMM CCCCc1nc(CN2CC3CC2(C(=O)[O-])C3)cs1 ZINC000656761291 413189088 /nfs/dbraw/zinc/18/90/88/413189088.db2.gz RZHOOFIVVYSYBP-UHFFFAOYSA-N -1 1 280.393 2.535 20 0 CFADMM O=C(NCc1ccc2sccc2c1)c1ncccc1[O-] ZINC000356761755 155357466 /nfs/dbraw/zinc/35/74/66/155357466.db2.gz HPKYGGHFNIFXID-UHFFFAOYSA-N -1 1 284.340 2.932 20 0 CFADMM CSCc1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC000343142355 154124077 /nfs/dbraw/zinc/12/40/77/154124077.db2.gz CDHYOKJZMFCWNR-UHFFFAOYSA-N -1 1 288.372 2.580 20 0 CFADMM CCN(CC)c1cc(-c2cc(F)ccc2[O-])ncn1 ZINC001240693790 782010350 /nfs/dbraw/zinc/01/03/50/782010350.db2.gz IBVSXNXLSBTULB-UHFFFAOYSA-N -1 1 261.300 2.835 20 0 CFADMM CC[C@H]([N-]S(=O)(=O)c1sccc1C)C(F)(F)F ZINC000345723417 154250665 /nfs/dbraw/zinc/25/06/65/154250665.db2.gz QEIYIKQGNHSPOI-ZETCQYMHSA-N -1 1 287.328 2.676 20 0 CFADMM FC(F)[C@@H]1C[C@H]1N=c1[n-]c(C(F)(F)F)cs1 ZINC000348232795 154372371 /nfs/dbraw/zinc/37/23/71/154372371.db2.gz TYVVZRQPLXRYIV-QWWZWVQMSA-N -1 1 258.215 2.649 20 0 CFADMM Cc1cccc(CCNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000355494390 155024310 /nfs/dbraw/zinc/02/43/10/155024310.db2.gz FJYPQOKAVIRPGS-UHFFFAOYSA-N -1 1 291.297 2.951 20 0 CFADMM CC[C@@H](C)CN(C)C(=O)c1c(F)ccc([O-])c1F ZINC000355565463 155043220 /nfs/dbraw/zinc/04/32/20/155043220.db2.gz HQGCFHKTZOXBNA-MRVPVSSYSA-N -1 1 257.280 2.789 20 0 CFADMM Cc1cccc([C@H](C)CNC(=O)c2ncccc2[O-])c1 ZINC000355868341 155104158 /nfs/dbraw/zinc/10/41/58/155104158.db2.gz 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ZINC000263574294 279220489 /nfs/dbraw/zinc/22/04/89/279220489.db2.gz NKXNFPZYDXIVSP-HNNXBMFYSA-N -1 1 277.364 2.632 20 0 CFADMM Cc1[nH]nc([N-]S(=O)(=O)Cc2c(C)cccc2C)c1C ZINC000334817794 280191986 /nfs/dbraw/zinc/19/19/86/280191986.db2.gz JQEOYYKTEAYCJN-UHFFFAOYSA-N -1 1 293.392 2.585 20 0 CFADMM Cc1cc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)no1 ZINC000358836844 280288021 /nfs/dbraw/zinc/28/80/21/280288021.db2.gz ZEELAPSZPTXGSN-UHFFFAOYSA-N -1 1 261.668 2.952 20 0 CFADMM COCCCN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000059415904 280457179 /nfs/dbraw/zinc/45/71/79/280457179.db2.gz RWEDZYCIKSLRLF-UHFFFAOYSA-N -1 1 273.332 2.654 20 0 CFADMM O=C(Nc1cnns1)c1ccc2ccccc2c1[O-] ZINC000127627047 280666375 /nfs/dbraw/zinc/66/63/75/280666375.db2.gz XGUXZPNLUXKPMQ-UHFFFAOYSA-N -1 1 271.301 2.649 20 0 CFADMM O=C(NC[C@H]1CCCCS1)c1cc(F)ccc1[O-] ZINC000128688635 280681434 /nfs/dbraw/zinc/68/14/34/280681434.db2.gz ODMXQYJZGHDMCU-SNVBAGLBSA-N -1 1 269.341 2.547 20 0 CFADMM COCc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000132872093 280736615 /nfs/dbraw/zinc/73/66/15/280736615.db2.gz HZZDDANXSZKFMT-UHFFFAOYSA-N -1 1 275.279 2.930 20 0 CFADMM C[C@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000132931656 280737455 /nfs/dbraw/zinc/73/74/55/280737455.db2.gz FIIOAKPAHSQWLS-WPRPVWTQSA-N -1 1 253.729 2.964 20 0 CFADMM CC[C@@H]1CN(C(=O)c2ccc([O-])cc2F)C[C@H](CC)O1 ZINC000398766162 281209328 /nfs/dbraw/zinc/20/93/28/281209328.db2.gz GPTFOSXDVYHLOT-TXEJJXNPSA-N -1 1 281.327 2.561 20 0 CFADMM CC1(C)CN(C(=O)c2ccc([O-])cc2F)[C@@H]1[C@H]1CCCO1 ZINC000291303107 281221802 /nfs/dbraw/zinc/22/18/02/281221802.db2.gz SOGRBZOTDRLUNA-ZIAGYGMSSA-N -1 1 293.338 2.561 20 0 CFADMM CC1(C)CN(Cc2cccc(C(=O)[O-])c2)CC(C)(C)O1 ZINC000226431175 281246576 /nfs/dbraw/zinc/24/65/76/281246576.db2.gz YTJCWZKIUVSFOY-UHFFFAOYSA-N -1 1 277.364 2.774 20 0 CFADMM CC1(C)COCCN1Cc1cccc([O-])c1Cl ZINC000295268341 281287020 /nfs/dbraw/zinc/28/70/20/281287020.db2.gz HNKDSZLCKQAEHM-UHFFFAOYSA-N -1 1 255.745 2.656 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCCC2(CCCC2)C1 ZINC000526127536 281320645 /nfs/dbraw/zinc/32/06/45/281320645.db2.gz OPWOXTSDIPPMJP-UHFFFAOYSA-N -1 1 260.337 2.584 20 0 CFADMM CCC[C@@H](Sc1nc(C)c(C)c(=O)[n-]1)C(=O)OCC ZINC000539616743 281571674 /nfs/dbraw/zinc/57/16/74/281571674.db2.gz VJMJDVBKISDFKM-SNVBAGLBSA-N -1 1 284.381 2.623 20 0 CFADMM O=C(Nc1cccc2cc[nH]c21)c1cncc([O-])c1 ZINC000548189311 281774967 /nfs/dbraw/zinc/77/49/67/281774967.db2.gz DSCWCALNFGJCKS-UHFFFAOYSA-N -1 1 253.261 2.521 20 0 CFADMM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ncccc1[O-] ZINC000548304120 281777710 /nfs/dbraw/zinc/77/77/10/281777710.db2.gz HNWFTSYBITZHEV-SNVBAGLBSA-N -1 1 286.306 2.686 20 0 CFADMM O=C(N[C@@H]1CCc2ccc(F)cc21)C(=O)c1ccc([O-])cc1 ZINC000554496514 281894280 /nfs/dbraw/zinc/89/42/80/281894280.db2.gz KMSFXCCEGHAMBC-OAHLLOKOSA-N -1 1 299.301 2.518 20 0 CFADMM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1cc2cc(F)ccc2o1 ZINC000556294293 281931750 /nfs/dbraw/zinc/93/17/50/281931750.db2.gz AWIRJJKMHIGYGD-NWDGAFQWSA-N -1 1 295.335 2.649 20 0 CFADMM O=C([N-]c1nnc(C2CC2)s1)c1ncoc1C1CC1 ZINC000559104291 282001335 /nfs/dbraw/zinc/00/13/35/282001335.db2.gz UDLSYCSBRDVXPP-UHFFFAOYSA-N -1 1 276.321 2.533 20 0 CFADMM C[C@@H]1CSCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000070222682 288420252 /nfs/dbraw/zinc/42/02/52/288420252.db2.gz QNEQLQHHASFDET-MRVPVSSYSA-N -1 1 271.769 2.623 20 0 CFADMM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ncccc1[O-] ZINC000336100953 288955885 /nfs/dbraw/zinc/95/58/85/288955885.db2.gz PDRYCSBIUTUTLU-BDAKNGLRSA-N -1 1 288.269 2.590 20 0 CFADMM C[C@@H]1c2cccn2CCN1C(=O)c1cc(F)ccc1[O-] ZINC000179386185 289089697 /nfs/dbraw/zinc/08/96/97/289089697.db2.gz QEIUDUOUBXIFJR-SNVBAGLBSA-N -1 1 274.295 2.550 20 0 CFADMM Cc1cc(/C=C\c2cc(=O)n3[n-]cnc3n2)ccc1Cl ZINC000352034690 290021143 /nfs/dbraw/zinc/02/11/43/290021143.db2.gz GGUVJJHXLMWMHS-RQOWECAXSA-N -1 1 286.722 2.550 20 0 CFADMM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1c([O-])cccc1F ZINC000403318142 290026690 /nfs/dbraw/zinc/02/66/90/290026690.db2.gz ANTWSDQGDJKRCK-MXWKQRLJSA-N -1 1 263.312 2.697 20 0 CFADMM COc1cc(C(=O)[N-]c2nc(C3CCC3)cs2)on1 ZINC000562439173 290043326 /nfs/dbraw/zinc/04/33/26/290043326.db2.gz OWXQEOBGCGAQBR-UHFFFAOYSA-N -1 1 279.321 2.660 20 0 CFADMM CCn1c2ccc(C(=O)[O-])cc2nc1CN(C)CC1CC1 ZINC000565101243 290267476 /nfs/dbraw/zinc/26/74/76/290267476.db2.gz CKWGTQDUEDOQCL-UHFFFAOYSA-N -1 1 287.363 2.596 20 0 CFADMM O=C([O-])c1coc(CN(CC2CCCCC2)C2CC2)n1 ZINC000565105420 290268958 /nfs/dbraw/zinc/26/89/58/290268958.db2.gz ZEDZUYYRGBNHAD-UHFFFAOYSA-N -1 1 278.352 2.918 20 0 CFADMM C[C@H]1CCCN(Cc2cc3cccnc3o2)[C@H]1C(=O)[O-] ZINC000565769683 290323345 /nfs/dbraw/zinc/32/33/45/290323345.db2.gz OXUHUGAXRLXIDT-GXFFZTMASA-N -1 1 274.320 2.513 20 0 CFADMM C[C@]1(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)C[C@H]1F ZINC000566127980 290350742 /nfs/dbraw/zinc/35/07/42/290350742.db2.gz JDIFQEZFHURUHM-PELKAZGASA-N -1 1 299.758 2.900 20 0 CFADMM Cc1cccc(C)c1[C@@H](C)N=c1[n-]c(C(=O)O)co1 ZINC000566291893 290367840 /nfs/dbraw/zinc/36/78/40/290367840.db2.gz WVXNFDWGWIWMLB-SNVBAGLBSA-N -1 1 260.293 2.585 20 0 CFADMM CC(=O)c1cc(CSc2nc(C3CC3)cc(=O)[n-]2)on1 ZINC000566470917 290389668 /nfs/dbraw/zinc/38/96/68/290389668.db2.gz QKGKLFFIWQNVHW-UHFFFAOYSA-N -1 1 291.332 2.543 20 0 CFADMM CCc1nc(SCc2cncc(OC)c2)[n-]c(=O)c1C ZINC000566499333 290396175 /nfs/dbraw/zinc/39/61/75/290396175.db2.gz ZVLABJOWFQVRRR-UHFFFAOYSA-N -1 1 291.376 2.749 20 0 CFADMM Cc1noc(C)c1[N-]C(=O)c1noc2c1C[C@H](C)CC2 ZINC000567322065 290454890 /nfs/dbraw/zinc/45/48/90/290454890.db2.gz SZLOZWJHTLPSQW-SSDOTTSWSA-N -1 1 275.308 2.657 20 0 CFADMM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccnc3cc(F)ccc32)C1 ZINC000263230240 297344213 /nfs/dbraw/zinc/34/42/13/297344213.db2.gz QKMGJZKZFHTGCP-MNOVXSKESA-N -1 1 288.322 2.921 20 0 CFADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(F)c(F)c(F)c1 ZINC000263521045 300054242 /nfs/dbraw/zinc/05/42/42/300054242.db2.gz RADSWAOHLNEKTG-WPRPVWTQSA-N -1 1 287.281 2.789 20 0 CFADMM C[C@]1(C(=O)[O-])CCN(c2ccnc3cc(F)ccc32)C1 ZINC000263441970 300785385 /nfs/dbraw/zinc/78/53/85/300785385.db2.gz XILFBILJTZFNAF-HNNXBMFYSA-N -1 1 274.295 2.675 20 0 CFADMM Cc1cc(N2CCC[C@H]2C(=O)[O-])c2cc(F)ccc2n1 ZINC000262171546 301338107 /nfs/dbraw/zinc/33/81/07/301338107.db2.gz VGLLTOANSOCUBC-ZDUSSCGKSA-N -1 1 274.295 2.736 20 0 CFADMM O=C(NC1(C2CC2)CC1)c1ccc2ccc(O)cc2c1[O-] ZINC000828170834 782078456 /nfs/dbraw/zinc/07/84/56/782078456.db2.gz UUCCTTPZVFNPAH-UHFFFAOYSA-N -1 1 283.327 2.923 20 0 CFADMM Cc1cccc(OCCNC(=O)c2c([O-])cccc2F)c1 ZINC000163627199 322377334 /nfs/dbraw/zinc/37/73/34/322377334.db2.gz JIGUYBUGOIZGOC-UHFFFAOYSA-N -1 1 289.306 2.649 20 0 CFADMM Cc1cccc(CN(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000170643541 322391718 /nfs/dbraw/zinc/39/17/18/322391718.db2.gz SCXRETJISUFONY-UHFFFAOYSA-N -1 1 299.399 2.925 20 0 CFADMM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1ccccc1[O-] ZINC000173283674 322432795 /nfs/dbraw/zinc/43/27/95/322432795.db2.gz CBSPWKCBZUFXOJ-UHFFFAOYSA-N -1 1 282.299 2.529 20 0 CFADMM Cc1nccc(N2CCC[C@H](CC(=O)[O-])C2)c1Cl ZINC000571653758 322591234 /nfs/dbraw/zinc/59/12/34/322591234.db2.gz ANRKWURWBDKQBA-SNVBAGLBSA-N -1 1 268.744 2.735 20 0 CFADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccccc1C(=O)OC ZINC000572822417 322633057 /nfs/dbraw/zinc/63/30/57/322633057.db2.gz UKKGVYATSGXISK-LLVKDONJSA-N -1 1 299.392 2.794 20 0 CFADMM C[C@@H](NCc1ncc(-c2cccs2)o1)[C@H](C)C(=O)[O-] ZINC000573212931 322648382 /nfs/dbraw/zinc/64/83/82/322648382.db2.gz OKAOGMRURIHCER-DTWKUNHWSA-N -1 1 280.349 2.602 20 0 CFADMM CC(C)n1c(CCc2ccco2)n[n-]c1=NC(C)(C)C ZINC000575757693 322728365 /nfs/dbraw/zinc/72/83/65/322728365.db2.gz DWLHBEHMHGFKRX-UHFFFAOYSA-N -1 1 276.384 2.870 20 0 CFADMM O=C(NCc1cccc(F)c1)c1ccc([O-])cc1F ZINC000181112667 323799904 /nfs/dbraw/zinc/79/99/04/323799904.db2.gz QXPTUCYENADZIN-UHFFFAOYSA-N -1 1 263.243 2.600 20 0 CFADMM CCN(C(=O)c1cccc2nn[nH]c21)[C@H](C)c1cccnc1 ZINC000188020508 324005865 /nfs/dbraw/zinc/00/58/65/324005865.db2.gz ULBRKAXBALZCMG-LLVKDONJSA-N -1 1 295.346 2.576 20 0 CFADMM CC(C)CCOCCN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000212055350 324111582 /nfs/dbraw/zinc/11/15/82/324111582.db2.gz MUHDPRHWMIGUEP-UHFFFAOYSA-N -1 1 291.391 2.806 20 0 CFADMM [O-]c1ccc(F)cc1-c1nc(CCc2ccco2)no1 ZINC000350563905 324230756 /nfs/dbraw/zinc/23/07/56/324230756.db2.gz CUHJLQIPSVHXBD-UHFFFAOYSA-N -1 1 274.251 2.960 20 0 CFADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccco3)no2)c1 ZINC000350565496 324232214 /nfs/dbraw/zinc/23/22/14/324232214.db2.gz JMZLTLRYKFQFCW-UHFFFAOYSA-N -1 1 285.259 2.661 20 0 CFADMM CO[C@@](C)(c1noc(-c2ccc([O-])cc2F)n1)C1CC1 ZINC000350568247 324232981 /nfs/dbraw/zinc/23/29/81/324232981.db2.gz OWXCTEGURQDFRC-CQSZACIVSA-N -1 1 278.283 2.853 20 0 CFADMM [O-]c1ccc(-c2noc([C@@H]3CC34CCOCC4)n2)c(F)c1 ZINC000350607939 324245117 /nfs/dbraw/zinc/24/51/17/324245117.db2.gz IOXWUJXGYCEDON-NSHDSACASA-N -1 1 290.294 2.865 20 0 CFADMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)ccn1 ZINC000350614669 324246988 /nfs/dbraw/zinc/24/69/88/324246988.db2.gz WDZRDYGNQUGJOF-UHFFFAOYSA-N -1 1 271.251 2.952 20 0 CFADMM C[C@@H]1COCC[C@@H]1c1noc(-c2ccc([O-])cc2F)n1 ZINC000350613366 324247092 /nfs/dbraw/zinc/24/70/92/324247092.db2.gz WSDPNHOVJIDJKL-SCZZXKLOSA-N -1 1 278.283 2.721 20 0 CFADMM C[C@@H]1COCC[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000350614394 324247104 /nfs/dbraw/zinc/24/71/04/324247104.db2.gz SZIVYXOZWOTHGI-PSASIEDQSA-N -1 1 278.283 2.721 20 0 CFADMM C[C@@]1(c2nc(-c3ccc([O-])cc3F)no2)CCCO1 ZINC000350817765 324262471 /nfs/dbraw/zinc/26/24/71/324262471.db2.gz YBJRAPVAKXVWRM-ZDUSSCGKSA-N -1 1 264.256 2.607 20 0 CFADMM Cc1ncncc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350819099 324263396 /nfs/dbraw/zinc/26/33/96/324263396.db2.gz YTWZNUULCBGFCA-UHFFFAOYSA-N -1 1 288.694 2.861 20 0 CFADMM [O-]c1ccc(-c2noc(CCOCC3CC3)n2)cc1F ZINC000350831277 324265290 /nfs/dbraw/zinc/26/52/90/324265290.db2.gz FRJUNDVQURPIOA-UHFFFAOYSA-N -1 1 278.283 2.550 20 0 CFADMM Cc1ocnc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000351063845 324302686 /nfs/dbraw/zinc/30/26/86/324302686.db2.gz OYXGCWBTMAAOIU-UHFFFAOYSA-N -1 1 261.212 2.545 20 0 CFADMM CO[C@H](CNC(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000378833940 324401200 /nfs/dbraw/zinc/40/12/00/324401200.db2.gz UGOSUVJDGMKCAH-MRXNPFEDSA-N -1 1 285.343 2.700 20 0 CFADMM Cc1ncc(NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000384187209 324444115 /nfs/dbraw/zinc/44/41/15/324444115.db2.gz SYFWYQBZWLRQSX-UHFFFAOYSA-N -1 1 279.299 2.896 20 0 CFADMM O=C(Nc1cncc2ccccc21)c1cncc([O-])c1 ZINC000396468782 324544600 /nfs/dbraw/zinc/54/46/00/324544600.db2.gz MYZJEAQEUIEVTQ-UHFFFAOYSA-N -1 1 265.272 2.588 20 0 CFADMM CCc1nc(SCc2cnccc2OC)[n-]c(=O)c1C ZINC000577293526 324720633 /nfs/dbraw/zinc/72/06/33/324720633.db2.gz NMBBPPGQSJSIME-UHFFFAOYSA-N -1 1 291.376 2.749 20 0 CFADMM CCOc1cc(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc(Cl)c1[O-] ZINC000577450765 324737486 /nfs/dbraw/zinc/73/74/86/324737486.db2.gz XTYVLXWHWMYRJR-DDFAGTSDSA-N -1 1 295.766 2.973 20 0 CFADMM C[C@@H]1CC[C@]2(CCN(Cc3nc(C(=O)[O-])cs3)C2)C1 ZINC000580085834 325006368 /nfs/dbraw/zinc/00/63/68/325006368.db2.gz VGCBLZQVBCZJHO-YGRLFVJLSA-N -1 1 280.393 2.853 20 0 CFADMM C[C@H](CC(=O)[O-])N(C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000580096516 325008460 /nfs/dbraw/zinc/00/84/60/325008460.db2.gz HSXYZCSJYOFVBK-SNVBAGLBSA-N -1 1 292.310 2.776 20 0 CFADMM O=c1cc(C(F)F)nc(SC[C@H]2CCCOC2)[n-]1 ZINC000580981122 325079483 /nfs/dbraw/zinc/07/94/83/325079483.db2.gz RROZWFMMPQMYAS-ZETCQYMHSA-N -1 1 276.308 2.639 20 0 CFADMM O=C([O-])CCCCCN1CCO[C@H](c2ccccc2)C1 ZINC000581434718 325121531 /nfs/dbraw/zinc/12/15/31/325121531.db2.gz JKBMXVLBKICZSN-HNNXBMFYSA-N -1 1 277.364 2.705 20 0 CFADMM Cc1cc(CN(C)CC[C@@H](C(=O)[O-])c2ccccc2)no1 ZINC000583209106 325269287 /nfs/dbraw/zinc/26/92/87/325269287.db2.gz CZWQSGQJZKSGGE-OAHLLOKOSA-N -1 1 288.347 2.673 20 0 CFADMM CO[C@@H]1C[C@H](C(=O)[O-])N(C/C=C/c2ccc(Cl)cc2)C1 ZINC000583635942 325300726 /nfs/dbraw/zinc/30/07/26/325300726.db2.gz AUZKMMSZWDCAGM-GWSUEFFPSA-N -1 1 295.766 2.527 20 0 CFADMM Cc1cnc(SCc2nnc(C3CC3)s2)[n-]c1=O ZINC000583641780 325301397 /nfs/dbraw/zinc/30/13/97/325301397.db2.gz CAIBIXUWAGZYFH-UHFFFAOYSA-N -1 1 280.378 2.512 20 0 CFADMM O=S(=O)([N-][C@H]1CCC[C@@H](F)C1)c1cccc(F)c1F ZINC000584229178 325339275 /nfs/dbraw/zinc/33/92/75/325339275.db2.gz JQULWHGGXMHRHO-BDAKNGLRSA-N -1 1 293.310 2.524 20 0 CFADMM CC(C)C1(C(=O)Nc2ccc([O-])c(Cl)c2)COC1 ZINC000935020844 649865898 /nfs/dbraw/zinc/86/58/98/649865898.db2.gz KZZHTGHSSHVALX-UHFFFAOYSA-N -1 1 269.728 2.657 20 0 CFADMM COC(=O)c1ccncc1-c1ccc([O-])c(F)c1F ZINC001243341878 782147829 /nfs/dbraw/zinc/14/78/29/782147829.db2.gz FSXGAGKCIZZGPA-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM COC(=O)c1cc(C)c(-c2ccc([O-])c(F)c2F)cn1 ZINC001243342630 782147452 /nfs/dbraw/zinc/14/74/52/782147452.db2.gz MBYRRVVMHIEITA-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM [O-]c1ccc(-c2cc(F)cc(-c3nn[nH]n3)c2)c(F)c1F ZINC001243344060 782149255 /nfs/dbraw/zinc/14/92/55/782149255.db2.gz WWAKXJHWOYQVKD-UHFFFAOYSA-N -1 1 292.220 2.657 20 0 CFADMM COC(=O)c1cc(F)ncc1-c1ccc([O-])c(F)c1F ZINC001243343201 782149354 /nfs/dbraw/zinc/14/93/54/782149354.db2.gz SIXOCVDELOVHPY-UHFFFAOYSA-N -1 1 283.205 2.658 20 0 CFADMM COC(=O)c1cnc(OC)c(-c2ccc([O-])c(F)c2F)c1 ZINC001243342938 782149463 /nfs/dbraw/zinc/14/94/63/782149463.db2.gz QRRPHVXYHZNKFJ-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000057102558 521822457 /nfs/dbraw/zinc/82/24/57/521822457.db2.gz KITISSCUPAXKAQ-JGVFFNPUSA-N -1 1 295.326 2.817 20 0 CFADMM CCc1ccsc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000050603295 521998570 /nfs/dbraw/zinc/99/85/70/521998570.db2.gz QONMJQSBSUAGHJ-UHFFFAOYSA-N -1 1 290.270 2.700 20 0 CFADMM CC(=O)c1ccc(C(=O)Nc2cccc([O-])c2F)o1 ZINC000336177129 518328489 /nfs/dbraw/zinc/32/84/89/518328489.db2.gz MLGMGDMJUFMEOD-UHFFFAOYSA-N -1 1 263.224 2.579 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@H](C)[C@H]3C)cnc2n1 ZINC000177010557 534398245 /nfs/dbraw/zinc/39/82/45/534398245.db2.gz SOZISKIWAPRBFK-GXSJLCMTSA-N -1 1 285.347 2.514 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@H](C)[C@H]1C)c2=O ZINC000177010557 534398249 /nfs/dbraw/zinc/39/82/49/534398249.db2.gz SOZISKIWAPRBFK-GXSJLCMTSA-N -1 1 285.347 2.514 20 0 CFADMM CC(C)Oc1ccc(C(=O)Nc2ccc(F)cc2[O-])cn1 ZINC000340329558 519778869 /nfs/dbraw/zinc/77/88/69/519778869.db2.gz WXKFYXDGWUDIBJ-UHFFFAOYSA-N -1 1 290.294 2.966 20 0 CFADMM CC(C)[C@@H]1C[C@H]1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000361354821 519806085 /nfs/dbraw/zinc/80/60/85/519806085.db2.gz XZEBILFZDKYPJU-VHSXEESVSA-N -1 1 275.377 2.791 20 0 CFADMM CC(C)[C@H]1CN(C(=O)c2cncc([O-])c2)[C@H]1C(C)C ZINC000335001012 519826455 /nfs/dbraw/zinc/82/64/55/519826455.db2.gz YGRBXQKADCPPJO-KGLIPLIRSA-N -1 1 262.353 2.540 20 0 CFADMM CC(Cl)(Cl)C(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000363729839 520153637 /nfs/dbraw/zinc/15/36/37/520153637.db2.gz NBOCFKDFVMCOOB-SSDOTTSWSA-N -1 1 296.100 2.708 20 0 CFADMM Cc1cnc(C(=O)N2CCc3ccccc3[C@H]2C)c([O-])c1 ZINC000426991322 534526373 /nfs/dbraw/zinc/52/63/73/534526373.db2.gz PSASNVHDPLEQNF-GFCCVEGCSA-N -1 1 282.343 2.855 20 0 CFADMM CCCN(CCC)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000079095429 521642926 /nfs/dbraw/zinc/64/29/26/521642926.db2.gz HSAHATIVIJEYQX-UHFFFAOYSA-N -1 1 273.336 2.598 20 0 CFADMM COc1cc(C(=O)N2CC[C@H](C3CC3)C2)cc(Cl)c1[O-] ZINC000336171522 522091579 /nfs/dbraw/zinc/09/15/79/522091579.db2.gz IEWVWXZHWRVTCE-JTQLQIEISA-N -1 1 295.766 2.926 20 0 CFADMM COC(=O)c1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000340328621 522200669 /nfs/dbraw/zinc/20/06/69/522200669.db2.gz PXSGQTVMOSNJBK-UHFFFAOYSA-N -1 1 289.262 2.570 20 0 CFADMM COC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000335114737 522827609 /nfs/dbraw/zinc/82/76/09/522827609.db2.gz UPSIRCQBPXBACY-NSHDSACASA-N -1 1 297.782 2.934 20 0 CFADMM COC[C@](C)(NCc1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC000340676405 522889095 /nfs/dbraw/zinc/88/90/95/522889095.db2.gz JEOCLZPGJDFWER-AWEZNQCLSA-N -1 1 285.409 2.625 20 0 CFADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1C ZINC000336406137 523675034 /nfs/dbraw/zinc/67/50/34/523675034.db2.gz XJPJCSYRYHRLAG-UHFFFAOYSA-N -1 1 297.355 2.529 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@]12CCOC2 ZINC000422086421 534726615 /nfs/dbraw/zinc/72/66/15/534726615.db2.gz IAGRIIUSVMOXSM-QGZVFWFLSA-N -1 1 283.327 2.550 20 0 CFADMM Cc1cccc(F)c1NC(=O)c1ccc(O)cc1[O-] ZINC000179887611 534737075 /nfs/dbraw/zinc/73/70/75/534737075.db2.gz BEDGNHGBKZQGBT-UHFFFAOYSA-N -1 1 261.252 2.798 20 0 CFADMM C[C@H]1CCC[C@H](N(C)C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000073891064 524201426 /nfs/dbraw/zinc/20/14/26/524201426.db2.gz UTLCHFINXBSUJG-RYUDHWBXSA-N -1 1 299.374 2.986 20 0 CFADMM Cc1cccc(CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000336472891 524425743 /nfs/dbraw/zinc/42/57/43/524425743.db2.gz SEVBIVYHNSQIEM-UHFFFAOYSA-N -1 1 277.270 2.909 20 0 CFADMM Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(F)cc2[O-])n1 ZINC000336360060 524555968 /nfs/dbraw/zinc/55/59/68/524555968.db2.gz FLIKXRMISCDUQS-SNVBAGLBSA-N -1 1 277.299 2.544 20 0 CFADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000050509195 524590240 /nfs/dbraw/zinc/59/02/40/524590240.db2.gz ZHBILMDAYZCRNI-CYBMUJFWSA-N -1 1 261.346 2.972 20 0 CFADMM Cc1ccc(F)c(OCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000340329391 524832108 /nfs/dbraw/zinc/83/21/08/524832108.db2.gz CIFJOSITJZEVDG-UHFFFAOYSA-N -1 1 293.269 2.996 20 0 CFADMM C[C@H]1[C@H](c2nc(-c3ccc([O-])cc3F)no2)C1(F)F ZINC000336157631 525115647 /nfs/dbraw/zinc/11/56/47/525115647.db2.gz SJLFCPBDFKZOLC-SSDLBLMSSA-N -1 1 270.210 2.950 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cn1 ZINC000229357737 525295026 /nfs/dbraw/zinc/29/50/26/525295026.db2.gz PIYLCXZHIVTWLM-UHFFFAOYSA-N -1 1 294.351 2.947 20 0 CFADMM Cc1ccccc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000226510066 525335696 /nfs/dbraw/zinc/33/56/96/525335696.db2.gz VNDUVQWAIQSWQM-UHFFFAOYSA-N -1 1 282.752 2.844 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2F)c(C)o1 ZINC000336123356 525423011 /nfs/dbraw/zinc/42/30/11/525423011.db2.gz CETPPHCJGOZNQB-UHFFFAOYSA-N -1 1 287.287 2.975 20 0 CFADMM Cc1ccoc1CN[C@](C)(CCC(C)C)C(=O)[O-] ZINC000340671143 525809205 /nfs/dbraw/zinc/80/92/05/525809205.db2.gz JONDOFOATFAXRG-CQSZACIVSA-N -1 1 253.342 2.957 20 0 CFADMM Cc1ccoc1CN[C@]1(C(=O)[O-])CCc2ccccc2C1 ZINC000340685889 525809538 /nfs/dbraw/zinc/80/95/38/525809538.db2.gz ULOBLFAXKPIIAK-QGZVFWFLSA-N -1 1 285.343 2.690 20 0 CFADMM C[C@@]1(CNC(=O)c2cncc([O-])c2)CCCc2ccccc21 ZINC000340004660 525845664 /nfs/dbraw/zinc/84/56/64/525845664.db2.gz SLIIXRUIWZSHGB-SFHVURJKSA-N -1 1 296.370 2.811 20 0 CFADMM CSc1ccc(F)cc1CNC(=O)c1cncc([O-])c1 ZINC000339904049 526018484 /nfs/dbraw/zinc/01/84/84/526018484.db2.gz FYKCIMWOIPUWBD-UHFFFAOYSA-N -1 1 292.335 2.578 20 0 CFADMM C[C@@H](c1c(F)cccc1F)N(C)CCCC(=O)[O-] ZINC000083662697 526028426 /nfs/dbraw/zinc/02/84/26/526028426.db2.gz JPBBMGJAJNLUCI-VIFPVBQESA-N -1 1 257.280 2.822 20 0 CFADMM CCCC[C@@H](N=c1nc(CC)[n-]s1)C(=O)OC(C)(C)C ZINC000462696487 534903245 /nfs/dbraw/zinc/90/32/45/534903245.db2.gz AIONLPYHDGDDLV-SNVBAGLBSA-N -1 1 299.440 2.835 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N3CCC4(CCC4)C3)cnc2n1 ZINC000163263136 526133844 /nfs/dbraw/zinc/13/38/44/526133844.db2.gz FXDSZOFLPWJBMR-UHFFFAOYSA-N -1 1 297.358 2.660 20 0 CFADMM Cc1ccc2c(=O)c(C(=O)N3CCC4(CCC4)C3)c[n-]c2n1 ZINC000163263136 526133853 /nfs/dbraw/zinc/13/38/53/526133853.db2.gz FXDSZOFLPWJBMR-UHFFFAOYSA-N -1 1 297.358 2.660 20 0 CFADMM C[C@H]1CCCC[C@@H]1CCNC(=O)c1cncc([O-])c1 ZINC000339954399 526254376 /nfs/dbraw/zinc/25/43/76/526254376.db2.gz DUBYBNDSZGHJGS-NWDGAFQWSA-N -1 1 262.353 2.733 20 0 CFADMM O=C(CC1(O)CCCCC1)Nc1ccc([O-])c(F)c1F ZINC000335017724 526335546 /nfs/dbraw/zinc/33/55/46/526335546.db2.gz KGKMAYPVTKVMDH-UHFFFAOYSA-N -1 1 285.290 2.694 20 0 CFADMM O=C(CC1CC(F)(F)C1)Nc1ccc(F)cc1[O-] ZINC000336197602 526342030 /nfs/dbraw/zinc/34/20/30/526342030.db2.gz XZOPEYDUBRVWFD-UHFFFAOYSA-N -1 1 259.227 2.905 20 0 CFADMM O=C([O-])c1coc(CNCc2cccc3cccnc32)c1 ZINC000228176904 526405716 /nfs/dbraw/zinc/40/57/16/526405716.db2.gz GUGRBZMYHDZHBB-UHFFFAOYSA-N -1 1 282.299 2.816 20 0 CFADMM O=C(NCCc1nccs1)c1cc2ccccc2cc1[O-] ZINC000050451419 526464108 /nfs/dbraw/zinc/46/41/08/526464108.db2.gz QLKPNUKHJVDCLA-UHFFFAOYSA-N -1 1 298.367 2.974 20 0 CFADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H](CC2CC2)C1 ZINC000334177641 526576088 /nfs/dbraw/zinc/57/60/88/526576088.db2.gz BZUNRUHIERYQRL-SNVBAGLBSA-N -1 1 281.302 2.933 20 0 CFADMM O=C(c1c([O-])cnc2ccccc21)N1CCC2(CCC2)C1 ZINC000163237272 526580066 /nfs/dbraw/zinc/58/00/66/526580066.db2.gz OIIZVOXTRZGITF-UHFFFAOYSA-N -1 1 282.343 2.957 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@]2(CCOC2)C1 ZINC000335068129 526679689 /nfs/dbraw/zinc/67/96/89/526679689.db2.gz LKJZJYPMXZODCA-HNNXBMFYSA-N -1 1 295.766 2.688 20 0 CFADMM O=C(N[C@@H]1CC2CCC1CC2)c1c(F)ccc([O-])c1F ZINC000336345266 526880344 /nfs/dbraw/zinc/88/03/44/526880344.db2.gz NDKNRBCNBXULHH-NWGYLPEXSA-N -1 1 281.302 2.979 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC=C(c2ccccc2)C1 ZINC000335093192 526881958 /nfs/dbraw/zinc/88/19/58/526881958.db2.gz MEYMIRWIDULMNW-UHFFFAOYSA-N -1 1 280.327 2.717 20 0 CFADMM O=C(c1ncccc1[O-])N1CC2(CCC2)[C@H]1c1ccco1 ZINC000335064945 526920433 /nfs/dbraw/zinc/92/04/33/526920433.db2.gz YPMZDMABQXEGIW-CQSZACIVSA-N -1 1 284.315 2.748 20 0 CFADMM O=C(COc1ccc(F)cc1)Nc1ccc(F)cc1[O-] ZINC000340331162 526959722 /nfs/dbraw/zinc/95/97/22/526959722.db2.gz YIPPPPIYUIAOBE-UHFFFAOYSA-N -1 1 279.242 2.688 20 0 CFADMM O=C([N-][C@H](c1cccnc1)c1ccc(F)c(F)c1)C(F)F ZINC000366036183 527009409 /nfs/dbraw/zinc/00/94/09/527009409.db2.gz WGUFUAHLSCIVNY-LBPRGKRZSA-N -1 1 298.239 2.831 20 0 CFADMM Cc1nc(SC2C[C@H](C)O[C@@H](C)C2)[n-]c(=O)c1C ZINC000338564858 527016154 /nfs/dbraw/zinc/01/61/54/527016154.db2.gz XSHHVDZBNIYEBS-YUMQZZPRSA-N -1 1 268.382 2.847 20 0 CFADMM O=C(Nc1cccc2cccnc21)c1cncc([O-])c1 ZINC000082336709 527386382 /nfs/dbraw/zinc/38/63/82/527386382.db2.gz HWDNBQIYJNIIKP-UHFFFAOYSA-N -1 1 265.272 2.588 20 0 CFADMM O=C(Nc1scnc1C1CC1)c1ccccc1[O-] ZINC000336407870 527541221 /nfs/dbraw/zinc/54/12/21/527541221.db2.gz ZYSJMHMXXOMUDA-UHFFFAOYSA-N -1 1 260.318 2.978 20 0 CFADMM O=C(NCC1(O)CCCC1)c1ccc2ccccc2c1[O-] ZINC000087039325 527574233 /nfs/dbraw/zinc/57/42/33/527574233.db2.gz KSJFZGZYFUPMKS-UHFFFAOYSA-N -1 1 285.343 2.580 20 0 CFADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(F)cc1[O-] ZINC000336322297 527660912 /nfs/dbraw/zinc/66/09/12/527660912.db2.gz HBIIBRUQVIXHII-QMMMGPOBSA-N -1 1 291.326 2.624 20 0 CFADMM O=C(C(=O)N1CCC[C@@H]1c1ccccc1)c1ccc([O-])cc1 ZINC000336157814 527664697 /nfs/dbraw/zinc/66/46/97/527664697.db2.gz QLWNVPWWLNSAQE-MRXNPFEDSA-N -1 1 295.338 2.939 20 0 CFADMM CCC[C@H](C)C[C@H](NCc1ccc(C)o1)C(=O)[O-] ZINC000426823220 528039696 /nfs/dbraw/zinc/03/96/96/528039696.db2.gz IINOPZFMSPDGPW-GWCFXTLKSA-N -1 1 253.342 2.957 20 0 CFADMM CC(C)(C)OCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000191505551 534979419 /nfs/dbraw/zinc/97/94/19/534979419.db2.gz JXYWODFGJWCPNA-UHFFFAOYSA-N -1 1 268.382 2.967 20 0 CFADMM CCC1(CNC(=O)c2ccc3ccccc3c2[O-])COC1 ZINC000456476930 535293925 /nfs/dbraw/zinc/29/39/25/535293925.db2.gz XFQXYSOHDJRCEW-UHFFFAOYSA-N -1 1 285.343 2.702 20 0 CFADMM CC[C@@H](O)[C@H](CC)NC(=O)c1cc2ccccc2cc1[O-] ZINC000456606596 535816230 /nfs/dbraw/zinc/81/62/30/535816230.db2.gz JANRPMVJSFHUEM-LSDHHAIUSA-N -1 1 287.359 2.825 20 0 CFADMM CCc1cc(=O)[n-]c(SC[C@@H]2CCO[C@@H](C)C2)n1 ZINC000447309795 536154937 /nfs/dbraw/zinc/15/49/37/536154937.db2.gz RFSUFDYUFDZTNE-VHSXEESVSA-N -1 1 268.382 2.652 20 0 CFADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])C1CCC1 ZINC000160222023 545515331 /nfs/dbraw/zinc/51/53/31/545515331.db2.gz IEPHLFGDPPBHKJ-QMMMGPOBSA-N -1 1 253.729 2.964 20 0 CFADMM Cc1cccc(CCN2Cc3ccc(C(=O)[O-])cc3C2)n1 ZINC000399674236 545513699 /nfs/dbraw/zinc/51/36/99/545513699.db2.gz NILVOQFRKYBFEG-UHFFFAOYSA-N -1 1 282.343 2.647 20 0 CFADMM COC(=O)c1nc2cc(-c3cnc(F)c(C)c3)ccc2[n-]1 ZINC001243396604 782180688 /nfs/dbraw/zinc/18/06/88/782180688.db2.gz MMZCDINVQWYZDV-UHFFFAOYSA-N -1 1 285.278 2.859 20 0 CFADMM COC(=O)c1nc2ccc(-c3cnc(F)c(C)c3)cc2[n-]1 ZINC001243396604 782180691 /nfs/dbraw/zinc/18/06/91/782180691.db2.gz MMZCDINVQWYZDV-UHFFFAOYSA-N -1 1 285.278 2.859 20 0 CFADMM CCC[C@@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736422934 574050533 /nfs/dbraw/zinc/05/05/33/574050533.db2.gz LBNPRBNHEDVHAG-SSDOTTSWSA-N -1 1 266.736 2.516 20 0 CFADMM CCC[C@@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736422934 574050534 /nfs/dbraw/zinc/05/05/34/574050534.db2.gz LBNPRBNHEDVHAG-SSDOTTSWSA-N -1 1 266.736 2.516 20 0 CFADMM C[C@H](CN(C)Cc1ncc(-c2ccccc2F)o1)C(=O)[O-] ZINC000736576852 574061161 /nfs/dbraw/zinc/06/11/61/574061161.db2.gz NLSDOGXPHWPLRX-SNVBAGLBSA-N -1 1 292.310 2.633 20 0 CFADMM CC[C@@H](C)c1ccc(NC(=O)CNC(C)(C)C(=O)[O-])cc1 ZINC000736891004 574083871 /nfs/dbraw/zinc/08/38/71/574083871.db2.gz KCUJGMUZPDNUKL-LLVKDONJSA-N -1 1 292.379 2.591 20 0 CFADMM Cc1noc(C)c1CCNC(=O)c1c([O-])cccc1Cl ZINC000730591769 574089565 /nfs/dbraw/zinc/08/95/65/574089565.db2.gz HVLOZIXMXOAEFY-UHFFFAOYSA-N -1 1 294.738 2.623 20 0 CFADMM O=C(/C=C/C1CC1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000745555343 574117179 /nfs/dbraw/zinc/11/71/79/574117179.db2.gz UOZGANIHFWJMCZ-ZZXKWVIFSA-N -1 1 286.283 2.508 20 0 CFADMM C[C@H]1COC(C)(C)CN1C(=O)c1c([O-])cccc1Cl ZINC000754744515 574118101 /nfs/dbraw/zinc/11/81/01/574118101.db2.gz KFPUQYLTAWTPGQ-VIFPVBQESA-N -1 1 283.755 2.685 20 0 CFADMM CCc1ccc([C@H]2CCCCCN2CC(=O)[O-])o1 ZINC000737258532 574121890 /nfs/dbraw/zinc/12/18/90/574121890.db2.gz HFSPPEMNUBQUGC-GFCCVEGCSA-N -1 1 251.326 2.844 20 0 CFADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(C(C)C)c(C)c1 ZINC000732214304 574146753 /nfs/dbraw/zinc/14/67/53/574146753.db2.gz DNPDTKTZSRJRCP-UHFFFAOYSA-N -1 1 294.376 2.918 20 0 CFADMM Cc1n[n-]cc1S(=O)(=O)Oc1cccc(C(C)C)c1 ZINC000732216046 574147396 /nfs/dbraw/zinc/14/73/96/574147396.db2.gz OBULXVNTJXCUGT-UHFFFAOYSA-N -1 1 280.349 2.609 20 0 CFADMM C[C@@H](c1ccccc1F)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737723067 574157300 /nfs/dbraw/zinc/15/73/00/574157300.db2.gz ZUNJXOHZMVDBIT-NSHDSACASA-N -1 1 280.343 2.961 20 0 CFADMM CC(C)(C)OC(=O)CCC(C)(C)[N-]C(=O)C(F)(F)F ZINC000755431109 574161775 /nfs/dbraw/zinc/16/17/75/574161775.db2.gz RUAAVRCZUXNMFV-UHFFFAOYSA-N -1 1 283.290 2.565 20 0 CFADMM Cc1cccc2c1CCN(Cc1occc1C(=O)[O-])C2 ZINC000738748202 574164541 /nfs/dbraw/zinc/16/45/41/574164541.db2.gz PWBGLYGWAMCWGE-UHFFFAOYSA-N -1 1 271.316 2.845 20 0 CFADMM O=C([N-]c1ccon1)c1cc(-c2cccc(F)c2)no1 ZINC000755763355 574185106 /nfs/dbraw/zinc/18/51/06/574185106.db2.gz QALAFADOWDETTE-UHFFFAOYSA-N -1 1 273.223 2.721 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(C)(C)CC1 ZINC000747378156 574193081 /nfs/dbraw/zinc/19/30/81/574193081.db2.gz DOVQCRGHRMXLJG-UHFFFAOYSA-N -1 1 291.395 2.876 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC2(CC2)CC1 ZINC000747386826 574193593 /nfs/dbraw/zinc/19/35/93/574193593.db2.gz SDQHUWBVWAKRPW-UHFFFAOYSA-N -1 1 289.379 2.630 20 0 CFADMM C[C@@H](c1ccccc1Cl)N1CC[C@H](NC(=O)[O-])C1 ZINC000739056402 574195196 /nfs/dbraw/zinc/19/51/96/574195196.db2.gz DWHKEZOWPFICPB-UWVGGRQHSA-N -1 1 268.744 2.743 20 0 CFADMM C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739057035 574195777 /nfs/dbraw/zinc/19/57/77/574195777.db2.gz KSJCCSAZLXTNDN-MNOVXSKESA-N -1 1 298.333 2.958 20 0 CFADMM C[C@@H](c1cccc(Cl)c1)N1CC[C@H](NC(=O)[O-])C1 ZINC000739060740 574196362 /nfs/dbraw/zinc/19/63/62/574196362.db2.gz ZQTDLBLRAMGPEK-CABZTGNLSA-N -1 1 268.744 2.743 20 0 CFADMM C[C@@H]1CN(Cc2cccc(Cl)c2)CC[C@@H]1NC(=O)[O-] ZINC000739191519 574200487 /nfs/dbraw/zinc/20/04/87/574200487.db2.gz PKQJWSJBFBKOCO-MFKMUULPSA-N -1 1 282.771 2.818 20 0 CFADMM C[C@@H]1CN(Cc2cccc3cccnc32)C[C@H](C)N1C(=O)[O-] ZINC000739194260 574200579 /nfs/dbraw/zinc/20/05/79/574200579.db2.gz VQVKYCSVBLKZBQ-BETUJISGSA-N -1 1 299.374 2.807 20 0 CFADMM CC(C)n1cc2cc(NC(=O)C3=C([O-])C(C)N=N3)ccc2n1 ZINC000747659251 574205015 /nfs/dbraw/zinc/20/50/15/574205015.db2.gz NPWWYLKJGQBYDI-UHFFFAOYSA-N -1 1 299.334 2.607 20 0 CFADMM Cc1cc(CNCc2ccc(C(=O)[O-])o2)ccc1F ZINC000756284785 574221507 /nfs/dbraw/zinc/22/15/07/574221507.db2.gz GGHWNPHMEZCLJP-UHFFFAOYSA-N -1 1 263.268 2.715 20 0 CFADMM O=C([O-])CN(C/C=C/Cl)Cc1ccc(F)c(F)c1 ZINC000739783811 574224772 /nfs/dbraw/zinc/22/47/72/574224772.db2.gz LTYVHRAOGDJENJ-DAFODLJHSA-N -1 1 275.682 2.604 20 0 CFADMM Cc1nc(CN[C@]2(CNC(=O)[O-])CCCC[C@H]2C)cs1 ZINC000740224714 574243572 /nfs/dbraw/zinc/24/35/72/574243572.db2.gz RTADBOPPWLYWMH-YGRLFVJLSA-N -1 1 297.424 2.758 20 0 CFADMM O=C(NCC1(O)CCCCCC1)c1c([O-])cccc1Cl ZINC000748365034 574249588 /nfs/dbraw/zinc/24/95/88/574249588.db2.gz OWLFZMMKNDXHHG-UHFFFAOYSA-N -1 1 297.782 2.861 20 0 CFADMM CCOC[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000733807240 574256943 /nfs/dbraw/zinc/25/69/43/574256943.db2.gz UYXCWYJUJPKHIL-NSHDSACASA-N -1 1 297.782 2.934 20 0 CFADMM CCCCO[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)C1(C)C ZINC000748744461 574264455 /nfs/dbraw/zinc/26/44/55/574264455.db2.gz OJSCWDOFUJBWAH-BDAKNGLRSA-N -1 1 267.291 2.649 20 0 CFADMM CC1(C)[C@H](NC(=O)c2c([O-])cccc2Cl)[C@H]2CCO[C@H]21 ZINC000741291507 574285936 /nfs/dbraw/zinc/28/59/36/574285936.db2.gz AFZPNJSPTJPVNS-BZHVJNSISA-N -1 1 295.766 2.589 20 0 CFADMM O=C(CC1(O)CCCCC1)Nc1c([O-])cccc1F ZINC000749576357 574300699 /nfs/dbraw/zinc/30/06/99/574300699.db2.gz OKDDRCIKUCEFSN-UHFFFAOYSA-N -1 1 267.300 2.555 20 0 CFADMM C[C@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000736025859 574348231 /nfs/dbraw/zinc/34/82/31/574348231.db2.gz JFDOAADOVNRLGR-SNVBAGLBSA-N -1 1 298.325 2.616 20 0 CFADMM C[C@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000736025859 574348233 /nfs/dbraw/zinc/34/82/33/574348233.db2.gz JFDOAADOVNRLGR-SNVBAGLBSA-N -1 1 298.325 2.616 20 0 CFADMM COc1ccccc1C(C)(C)C[N-]C(=O)C(F)(F)F ZINC000725892457 574353901 /nfs/dbraw/zinc/35/39/01/574353901.db2.gz BRGGANKHHOZBLV-UHFFFAOYSA-N -1 1 275.270 2.651 20 0 CFADMM C[C@H](C(=O)Nc1ccc(C(=O)[O-])s1)N1CCCCCC1 ZINC000736214519 574355984 /nfs/dbraw/zinc/35/59/84/574355984.db2.gz HSIHQFDVFMMOHM-SNVBAGLBSA-N -1 1 296.392 2.649 20 0 CFADMM C[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000736276511 574359675 /nfs/dbraw/zinc/35/96/75/574359675.db2.gz ILQFGQCIMJEBLP-LLVKDONJSA-N -1 1 294.362 2.651 20 0 CFADMM C[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000736276511 574359676 /nfs/dbraw/zinc/35/96/76/574359676.db2.gz ILQFGQCIMJEBLP-LLVKDONJSA-N -1 1 294.362 2.651 20 0 CFADMM CCC(CC)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736344754 574364232 /nfs/dbraw/zinc/36/42/32/574364232.db2.gz CRCICFNSRQQKHZ-UHFFFAOYSA-N -1 1 297.366 2.658 20 0 CFADMM CCC(CC)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736344754 574364234 /nfs/dbraw/zinc/36/42/34/574364234.db2.gz CRCICFNSRQQKHZ-UHFFFAOYSA-N -1 1 297.366 2.658 20 0 CFADMM Cc1cccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1F ZINC000398492675 574366324 /nfs/dbraw/zinc/36/63/24/574366324.db2.gz WPGPJSDGEGQTQC-JTQLQIEISA-N -1 1 293.310 2.600 20 0 CFADMM CC[C@H](C)[C@@](C)(O)CNC(=O)c1c([O-])cccc1Cl ZINC000743482123 574366638 /nfs/dbraw/zinc/36/66/38/574366638.db2.gz NTBHIJDXXXNEEI-XPTSAGLGSA-N -1 1 285.771 2.573 20 0 CFADMM Cc1noc([C@@H](C)O[N-]C(=O)CCC2CCCCC2)n1 ZINC000751521098 574378140 /nfs/dbraw/zinc/37/81/40/574378140.db2.gz IXPORKDZEWZRNH-SNVBAGLBSA-N -1 1 281.356 2.847 20 0 CFADMM CC1(C)C[C@H]1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000751797423 574383109 /nfs/dbraw/zinc/38/31/09/574383109.db2.gz PVNTVRCDBIGHSB-LBPRGKRZSA-N -1 1 288.299 2.588 20 0 CFADMM CCCCc1nc(CN2C[C@H](C)[C@H](C(=O)[O-])C2)cs1 ZINC000829439707 601526080 /nfs/dbraw/zinc/52/60/80/601526080.db2.gz CUCYDSDLVLMCCQ-CMPLNLGQSA-N -1 1 282.409 2.638 20 0 CFADMM c1cc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)nc(-c2nnn[n-]2)c1 ZINC000823757015 599056195 /nfs/dbraw/zinc/05/61/95/599056195.db2.gz JITXSIBIQPJHRI-QJPTWQEYSA-N -1 1 284.367 2.642 20 0 CFADMM c1cc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)nc(-c2nn[n-]n2)c1 ZINC000823757015 599056197 /nfs/dbraw/zinc/05/61/97/599056197.db2.gz JITXSIBIQPJHRI-QJPTWQEYSA-N -1 1 284.367 2.642 20 0 CFADMM Cc1ccc(-c2nnc([C@H](C)N(C)CCC(=O)[O-])o2)cc1 ZINC000818858772 597002883 /nfs/dbraw/zinc/00/28/83/597002883.db2.gz HAKVQVJQEACPMO-NSHDSACASA-N -1 1 289.335 2.513 20 0 CFADMM CN(CCC(=O)[O-])Cc1ncc(-c2ccccc2)s1 ZINC000820586116 597351647 /nfs/dbraw/zinc/35/16/47/597351647.db2.gz KMTRJZJDFZEYLA-UHFFFAOYSA-N -1 1 276.361 2.717 20 0 CFADMM O=C([O-])[C@@H]1CCN(Cc2ncc(-c3ccccc3)s2)C1 ZINC000821510324 597352875 /nfs/dbraw/zinc/35/28/75/597352875.db2.gz AXBPEVUHHIZBIN-GFCCVEGCSA-N -1 1 288.372 2.717 20 0 CFADMM Cc1ccc(C)c(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000822232219 607310843 /nfs/dbraw/zinc/31/08/43/607310843.db2.gz XOFQDTQDCFWNJS-UHFFFAOYSA-N -1 1 269.308 2.689 20 0 CFADMM Cc1ccc(C)c(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822232219 607310844 /nfs/dbraw/zinc/31/08/44/607310844.db2.gz XOFQDTQDCFWNJS-UHFFFAOYSA-N -1 1 269.308 2.689 20 0 CFADMM O=C([O-])CCCN(Cc1ccco1)Cc1cccnc1 ZINC000821523889 597808026 /nfs/dbraw/zinc/80/80/26/597808026.db2.gz DBBYHSKJVAXGDH-UHFFFAOYSA-N -1 1 274.320 2.542 20 0 CFADMM COc1ccsc1CNCc1cccc(C(=O)[O-])c1 ZINC000820881493 598194235 /nfs/dbraw/zinc/19/42/35/598194235.db2.gz GAMAZBFJPNAWLT-UHFFFAOYSA-N -1 1 277.345 2.745 20 0 CFADMM CC(C)[C@@H](N[C@@H](C)c1nc2c(s1)CCCC2)C(=O)[O-] ZINC000820149535 598197490 /nfs/dbraw/zinc/19/74/90/598197490.db2.gz YRODSNWXZQOQSC-JOYOIKCWSA-N -1 1 282.409 2.782 20 0 CFADMM COC[C@H](NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000223628468 598203549 /nfs/dbraw/zinc/20/35/49/598203549.db2.gz BYUFJIKRTLGETK-INIZCTEOSA-N -1 1 285.343 2.862 20 0 CFADMM COc1cc(C)ccc1CNCc1cccc(C(=O)[O-])c1 ZINC000820763930 598204324 /nfs/dbraw/zinc/20/43/24/598204324.db2.gz MTBLCRIXOPCSFG-UHFFFAOYSA-N -1 1 285.343 2.992 20 0 CFADMM COc1ccccc1[C@H](N[C@@H](C)CC(=O)[O-])c1ccco1 ZINC000820876274 598217229 /nfs/dbraw/zinc/21/72/29/598217229.db2.gz AMYLQEVHAXINPV-ZBEGNZNMSA-N -1 1 289.331 2.830 20 0 CFADMM CC(C)CN(CC(=O)[O-])Cc1c(Cl)cncc1Cl ZINC000901588813 620863798 /nfs/dbraw/zinc/86/37/98/620863798.db2.gz GRYPZUUPNYTONT-UHFFFAOYSA-N -1 1 291.178 2.931 20 0 CFADMM CC(F)(F)CCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047918 629205389 /nfs/dbraw/zinc/20/53/89/629205389.db2.gz MCXSUSYEMWEIOU-UHFFFAOYSA-N -1 1 264.659 2.815 20 0 CFADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000095262576 599419877 /nfs/dbraw/zinc/41/98/77/599419877.db2.gz VONDNGAAZYRNDI-GFCCVEGCSA-N -1 1 280.335 2.825 20 0 CFADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000095262576 599419878 /nfs/dbraw/zinc/41/98/78/599419878.db2.gz VONDNGAAZYRNDI-GFCCVEGCSA-N -1 1 280.335 2.825 20 0 CFADMM CC1(C)C[C@H]1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820589335 599553639 /nfs/dbraw/zinc/55/36/39/599553639.db2.gz BYAFULMUJOUCRJ-JTQLQIEISA-N -1 1 294.362 2.873 20 0 CFADMM CC1(C)C[C@H]1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820589335 599553641 /nfs/dbraw/zinc/55/36/41/599553641.db2.gz BYAFULMUJOUCRJ-JTQLQIEISA-N -1 1 294.362 2.873 20 0 CFADMM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(F)c(F)c1)CC2 ZINC000405422334 600310813 /nfs/dbraw/zinc/31/08/13/600310813.db2.gz FBFSYIWHQNWZKU-NSHDSACASA-N -1 1 281.302 2.652 20 0 CFADMM CCc1cccc(Oc2cccc(-c3nnn[n-]3)n2)c1 ZINC000825722740 607894926 /nfs/dbraw/zinc/89/49/26/607894926.db2.gz LONRYDYEFVZSRF-UHFFFAOYSA-N -1 1 267.292 2.616 20 0 CFADMM CCc1cccc(Oc2cccc(-c3nn[n-]n3)n2)c1 ZINC000825722740 607894927 /nfs/dbraw/zinc/89/49/27/607894927.db2.gz LONRYDYEFVZSRF-UHFFFAOYSA-N -1 1 267.292 2.616 20 0 CFADMM C/C(=C/CSc1nc(-c2ccc(C)cc2)n[nH]1)C(=O)[O-] ZINC000825792228 600726252 /nfs/dbraw/zinc/72/62/52/600726252.db2.gz AINNXODYBASNHB-YFHOEESVSA-N -1 1 289.360 2.903 20 0 CFADMM C[C@@H]1C[C@H]1c1ccc(CN[C@H](C(=O)[O-])C(C)(C)C)o1 ZINC000901574068 620867194 /nfs/dbraw/zinc/86/71/94/620867194.db2.gz FWHOSQPRUMEXES-IRUJWGPZSA-N -1 1 265.353 2.992 20 0 CFADMM C/C(=C/CN(C)[C@H](C)c1ccccc1F)C(=O)[O-] ZINC000088630695 601051664 /nfs/dbraw/zinc/05/16/64/601051664.db2.gz OMVMIFRLVISUCV-HIJJYWJESA-N -1 1 251.301 2.849 20 0 CFADMM C/C(=C/CN1CCC[C@H]1c1nc(C)cs1)C(=O)[O-] ZINC000825741801 601160812 /nfs/dbraw/zinc/16/08/12/601160812.db2.gz SMRMWIYIEFRFTD-GWZUUTHWSA-N -1 1 266.366 2.619 20 0 CFADMM C/C(=C/CN1CCC[C@@H]1c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000825741520 601164154 /nfs/dbraw/zinc/16/41/54/601164154.db2.gz OTXLSOGAMVGRLX-DHHDDZJSSA-N -1 1 297.786 2.550 20 0 CFADMM C/C(=C/CN1CCc2cccc(F)c2[C@H]1C)C(=O)[O-] ZINC000825746238 601170730 /nfs/dbraw/zinc/17/07/30/601170730.db2.gz GZXAPBJUSBZCRS-SDKXAQGSSA-N -1 1 263.312 2.776 20 0 CFADMM O=C([O-])/C(=C\c1cc(F)c(O)c(F)c1)c1ccncc1 ZINC000833161442 601393928 /nfs/dbraw/zinc/39/39/28/601393928.db2.gz CBVOPIXMMWCNCY-YHYXMXQVSA-N -1 1 277.226 2.691 20 0 CFADMM O=C([O-])c1nn(C[N@H+]2CCC3(CCCC3)C2)c2ccccc21 ZINC000833347293 601402086 /nfs/dbraw/zinc/40/20/86/601402086.db2.gz XLDSECFXPBEABD-UHFFFAOYSA-N -1 1 299.374 2.958 20 0 CFADMM CCCc1ccc(CN2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000829566461 601437872 /nfs/dbraw/zinc/43/78/72/601437872.db2.gz NBYIXQXOCAYADH-HNNXBMFYSA-N -1 1 265.328 2.638 20 0 CFADMM CC[C@@H]1CCN([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000829126393 601497994 /nfs/dbraw/zinc/49/79/94/601497994.db2.gz YHYTVFZALANYBY-NWDGAFQWSA-N -1 1 292.379 2.633 20 0 CFADMM C[C@H]1CN(Cc2nc(C(C)(C)C)cs2)C[C@@H]1C(=O)[O-] ZINC000094969470 601514573 /nfs/dbraw/zinc/51/45/73/601514573.db2.gz OQPZICSSKBFJEJ-UWVGGRQHSA-N -1 1 282.409 2.593 20 0 CFADMM C[C@@H]1CN(Cc2ncc(-c3cccs3)o2)C[C@H]1C(=O)[O-] ZINC000828464827 601520089 /nfs/dbraw/zinc/52/00/89/601520089.db2.gz VMPUDPAGXKIOJG-NXEZZACHSA-N -1 1 292.360 2.556 20 0 CFADMM CCCN(CC(=O)[O-])Cc1cc2cc(Cl)cnc2o1 ZINC000901604888 620872073 /nfs/dbraw/zinc/87/20/73/620872073.db2.gz AZPWCOBHIZHTDI-UHFFFAOYSA-N -1 1 282.727 2.778 20 0 CFADMM CC1(C)CN(Cc2ccc(C(=O)[O-])c(F)c2)CCS1 ZINC000232826484 601658259 /nfs/dbraw/zinc/65/82/59/601658259.db2.gz GEKYWIFSGGAPEY-UHFFFAOYSA-N -1 1 283.368 2.851 20 0 CFADMM Cn1cc([C@H]2CCCN2Cc2ccsc2C(=O)[O-])cn1 ZINC000380612022 601822569 /nfs/dbraw/zinc/82/25/69/601822569.db2.gz HHJAWVWVJUTMNO-GFCCVEGCSA-N -1 1 291.376 2.517 20 0 CFADMM C[C@H]1C[C@@H]1c1ccc(CNCc2c[nH]c(C(=O)[O-])c2)o1 ZINC000828199857 601831449 /nfs/dbraw/zinc/83/14/49/601831449.db2.gz AORBFNIOCZVXQN-CABZTGNLSA-N -1 1 274.320 2.719 20 0 CFADMM CC[C@](C)(NCc1c[nH]c(C(=O)[O-])c1)c1nc(C)cs1 ZINC000828692162 601833980 /nfs/dbraw/zinc/83/39/80/601833980.db2.gz GICOXSYUHYAPBL-AWEZNQCLSA-N -1 1 293.392 2.893 20 0 CFADMM CC[C@@](C)(CC(=O)[O-])NCc1ncc(C(C)C)o1 ZINC000828671930 602223793 /nfs/dbraw/zinc/22/37/93/602223793.db2.gz IRFFUOTYPKJJNB-ZDUSSCGKSA-N -1 1 254.330 2.531 20 0 CFADMM C[C@H]1CCCC[C@H]1CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900371619 620666282 /nfs/dbraw/zinc/66/62/82/620666282.db2.gz FOXVGMMSNPCERZ-JQWIXIFHSA-N -1 1 289.379 2.616 20 0 CFADMM CC(C)(NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1 ZINC000900400574 620670136 /nfs/dbraw/zinc/67/01/36/620670136.db2.gz GWEZCLLTYGSMQK-UHFFFAOYSA-N -1 1 297.358 2.725 20 0 CFADMM C[C@H](N[C@@H]1CCCCN(C(=O)[O-])C1)c1cccnc1Cl ZINC000825478170 604320813 /nfs/dbraw/zinc/32/08/13/604320813.db2.gz FKAACKLSTGKGII-WDEREUQCSA-N -1 1 297.786 2.918 20 0 CFADMM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1c(F)cccc1F ZINC000825480081 604328894 /nfs/dbraw/zinc/32/88/94/604328894.db2.gz SOYUVZPZRFCUMJ-NXEZZACHSA-N -1 1 284.306 2.758 20 0 CFADMM CCc1ccc(CN(C)[C@H](COC(C)C)C(=O)[O-])cc1 ZINC000830249195 604399652 /nfs/dbraw/zinc/39/96/52/604399652.db2.gz CIMXYRUFTVEFDV-OAHLLOKOSA-N -1 1 279.380 2.559 20 0 CFADMM CCc1ccc(CN(C)[C@@H](COC(C)C)C(=O)[O-])cc1 ZINC000830249193 604399668 /nfs/dbraw/zinc/39/96/68/604399668.db2.gz CIMXYRUFTVEFDV-HNNXBMFYSA-N -1 1 279.380 2.559 20 0 CFADMM C[C@H]1CN(Cc2cc(Cl)ccc2F)C[C@H]1C(=O)[O-] ZINC000253244902 604668397 /nfs/dbraw/zinc/66/83/97/604668397.db2.gz QFQNRIQSVFZFPE-GZMMTYOYSA-N -1 1 271.719 2.632 20 0 CFADMM C[C@H]1CN(Cc2cccc(Cl)c2F)C[C@H]1C(=O)[O-] ZINC000253246165 604670012 /nfs/dbraw/zinc/67/00/12/604670012.db2.gz GOXFOTCYWVPOAU-WCBMZHEXSA-N -1 1 271.719 2.632 20 0 CFADMM C/C(=C/c1ccccc1)CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000833386047 604681681 /nfs/dbraw/zinc/68/16/81/604681681.db2.gz MGMPTTVDUNFPMN-LMRWQKIVSA-N -1 1 263.312 2.589 20 0 CFADMM Cc1nc([C@@H](C)N[C@@H]2CCCN(C(=O)[O-])C2)c(C)s1 ZINC000832994279 604793183 /nfs/dbraw/zinc/79/31/83/604793183.db2.gz OZOJWIHSPCZSJY-LDYMZIIASA-N -1 1 283.397 2.553 20 0 CFADMM CC(C)c1cnc(CN[C@@]2(C)CCCC[C@@H]2C(=O)[O-])o1 ZINC000833511299 604818588 /nfs/dbraw/zinc/81/85/88/604818588.db2.gz KXQFQNHNRCBXQZ-ABAIWWIYSA-N -1 1 280.368 2.921 20 0 CFADMM CC(C)(C)/C=C/C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833422390 604868608 /nfs/dbraw/zinc/86/86/08/604868608.db2.gz FUVNBJIXDRNGAH-BQYQJAHWSA-N -1 1 287.319 2.802 20 0 CFADMM CC(C)(C)/C=C\C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833422391 604868933 /nfs/dbraw/zinc/86/89/33/604868933.db2.gz FUVNBJIXDRNGAH-FPLPWBNLSA-N -1 1 287.319 2.802 20 0 CFADMM C[C@@H](C(=O)[O-])[C@@H](NCc1nccs1)c1ccccc1 ZINC000833408770 604973596 /nfs/dbraw/zinc/97/35/96/604973596.db2.gz VSGPZSMPOGMIDJ-ZWNOBZJWSA-N -1 1 276.361 2.695 20 0 CFADMM CC(C)C[C@@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824228088 607731282 /nfs/dbraw/zinc/73/12/82/607731282.db2.gz DXUNXSBBTLFUOA-MRVPVSSYSA-N -1 1 280.763 2.762 20 0 CFADMM CC(C)C[C@@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824228088 607731284 /nfs/dbraw/zinc/73/12/84/607731284.db2.gz DXUNXSBBTLFUOA-MRVPVSSYSA-N -1 1 280.763 2.762 20 0 CFADMM C[C@@]1(NCc2ncc(C3CC3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833570924 605071532 /nfs/dbraw/zinc/07/15/32/605071532.db2.gz VSMCIBZUSGZUID-XHDPSFHLSA-N -1 1 278.352 2.675 20 0 CFADMM CCC[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)N(C)C ZINC000833648624 605145962 /nfs/dbraw/zinc/14/59/62/605145962.db2.gz VMLXRSSHIUWJBX-LBPRGKRZSA-N -1 1 298.770 2.707 20 0 CFADMM O=C([O-])N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000834107073 605372346 /nfs/dbraw/zinc/37/23/46/605372346.db2.gz VYNCKSGIISCNBN-LLVKDONJSA-N -1 1 278.356 2.710 20 0 CFADMM CN(Cc1ccccc1)Cc1ccc(NC(=O)[O-])nc1 ZINC000828382554 605477690 /nfs/dbraw/zinc/47/76/90/605477690.db2.gz HPFOOPHDAQCQMQ-UHFFFAOYSA-N -1 1 271.320 2.804 20 0 CFADMM Cc1nc([C@@H](C)NC[C@H](NC(=O)[O-])C(C)C)c(C)s1 ZINC000830709489 605505276 /nfs/dbraw/zinc/50/52/76/605505276.db2.gz JZZGEHPLGPQLDO-KCJUWKMLSA-N -1 1 285.413 2.703 20 0 CFADMM O=C([O-])NC[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000834225985 605577585 /nfs/dbraw/zinc/57/75/85/605577585.db2.gz SAVJRAQRLBHFIE-JTQLQIEISA-N -1 1 286.734 2.569 20 0 CFADMM CCc1ncc(CN2CCC([C@H](C)NC(=O)[O-])CC2)s1 ZINC000833865695 605586052 /nfs/dbraw/zinc/58/60/52/605586052.db2.gz CNKRKIQZEPAVLL-JTQLQIEISA-N -1 1 297.424 2.574 20 0 CFADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(Cl)o2)C1 ZINC000833811992 605595586 /nfs/dbraw/zinc/59/55/86/605595586.db2.gz GJKKJKRSAOHIDV-UWVGGRQHSA-N -1 1 286.759 2.801 20 0 CFADMM O=C([O-])N1CC[C@@H](N(Cc2ccc(Cl)o2)C2CC2)C1 ZINC000834085872 605621368 /nfs/dbraw/zinc/62/13/68/605621368.db2.gz WKZATXDIGVNHNO-SNVBAGLBSA-N -1 1 284.743 2.650 20 0 CFADMM O=C([O-])N[C@@H]1C[C@H](NCc2cccnc2)c2ccccc21 ZINC000834157776 605787696 /nfs/dbraw/zinc/78/76/96/605787696.db2.gz JZMYUMGYZMZUQW-LSDHHAIUSA-N -1 1 283.331 2.625 20 0 CFADMM O=C([O-])Nc1cccc(CN2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000834269098 605788120 /nfs/dbraw/zinc/78/81/20/605788120.db2.gz OTZNMSXJRHDDNE-GJZGRUSLSA-N -1 1 290.363 2.920 20 0 CFADMM O=C([O-])Nc1ccc(NC(=O)c2ccc(F)cc2O)cc1 ZINC000834261093 605830202 /nfs/dbraw/zinc/83/02/02/605830202.db2.gz AHKGMODQKMHPLY-UHFFFAOYSA-N -1 1 290.250 2.874 20 0 CFADMM COC(C)(C)CN(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833718171 605839515 /nfs/dbraw/zinc/83/95/15/605839515.db2.gz FAJLUQLZTGVVAS-UHFFFAOYSA-N -1 1 285.771 2.895 20 0 CFADMM CCc1ncc(CN2CCCCC[C@@H]2C(=O)[O-])s1 ZINC000833677606 605929979 /nfs/dbraw/zinc/92/99/79/605929979.db2.gz WMPULGAHUMWTIC-LLVKDONJSA-N -1 1 268.382 2.535 20 0 CFADMM O=C([O-])N[C@@H]1CCC[C@H]1NCc1c(F)cccc1Cl ZINC000834176038 605982488 /nfs/dbraw/zinc/98/24/88/605982488.db2.gz QYYQNXRUBAHPRV-VXGBXAGGSA-N -1 1 286.734 2.757 20 0 CFADMM O=C([O-])N1CCC[C@H](NCc2cscc2Cl)C1 ZINC000834107378 606010148 /nfs/dbraw/zinc/01/01/48/606010148.db2.gz ONXDVYNPHSVFHU-VIFPVBQESA-N -1 1 274.773 2.634 20 0 CFADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2Cc1cc(F)cc(F)c1 ZINC000834095023 606062066 /nfs/dbraw/zinc/06/20/66/606062066.db2.gz JRZFSVSPWPULMT-KGLIPLIRSA-N -1 1 296.317 2.682 20 0 CFADMM Cc1cc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)ccc1F ZINC000822191892 606431051 /nfs/dbraw/zinc/43/10/51/606431051.db2.gz TXUYLBFJLBQKSK-SNVBAGLBSA-N -1 1 298.325 2.882 20 0 CFADMM Cc1cc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)ccc1F ZINC000822191892 606431053 /nfs/dbraw/zinc/43/10/53/606431053.db2.gz TXUYLBFJLBQKSK-SNVBAGLBSA-N -1 1 298.325 2.882 20 0 CFADMM c1ccc([C@@H](Nc2cccc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC000823771698 606446352 /nfs/dbraw/zinc/44/63/52/606446352.db2.gz CLTHFSLAOLULND-OAHLLOKOSA-N -1 1 292.346 2.825 20 0 CFADMM c1ccc([C@@H](Nc2cccc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC000823771698 606446353 /nfs/dbraw/zinc/44/63/53/606446353.db2.gz CLTHFSLAOLULND-OAHLLOKOSA-N -1 1 292.346 2.825 20 0 CFADMM CCCN(CCC)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821099431 606450203 /nfs/dbraw/zinc/45/02/03/606450203.db2.gz HPTONAVNLNFYMI-UHFFFAOYSA-N -1 1 280.763 2.542 20 0 CFADMM CCCN(CCC)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821099431 606450204 /nfs/dbraw/zinc/45/02/04/606450204.db2.gz HPTONAVNLNFYMI-UHFFFAOYSA-N -1 1 280.763 2.542 20 0 CFADMM CCOCc1cccc(Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000825605599 607898122 /nfs/dbraw/zinc/89/81/22/607898122.db2.gz YPJPOHQSOVPSCF-UHFFFAOYSA-N -1 1 296.334 2.542 20 0 CFADMM CCOCc1cccc(Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000825605599 607898123 /nfs/dbraw/zinc/89/81/23/607898123.db2.gz YPJPOHQSOVPSCF-UHFFFAOYSA-N -1 1 296.334 2.542 20 0 CFADMM CCCN(Cc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC000825323595 607902020 /nfs/dbraw/zinc/90/20/20/607902020.db2.gz ZISKTAKRQMOVOF-UHFFFAOYSA-N -1 1 294.362 2.678 20 0 CFADMM CCCN(Cc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC000825323595 607902021 /nfs/dbraw/zinc/90/20/21/607902021.db2.gz ZISKTAKRQMOVOF-UHFFFAOYSA-N -1 1 294.362 2.678 20 0 CFADMM CC(C)c1cccc(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000824352429 608389260 /nfs/dbraw/zinc/38/92/60/608389260.db2.gz CWLOMSIXEUCPTR-UHFFFAOYSA-N -1 1 282.307 2.572 20 0 CFADMM CC(C)c1cccc(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000824352429 608389262 /nfs/dbraw/zinc/38/92/62/608389262.db2.gz CWLOMSIXEUCPTR-UHFFFAOYSA-N -1 1 282.307 2.572 20 0 CFADMM CC1(C)CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000824803082 608555859 /nfs/dbraw/zinc/55/58/59/608555859.db2.gz SITDQSRXADZFCX-QMMMGPOBSA-N -1 1 292.774 2.906 20 0 CFADMM CC1(C)CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000824803082 608555860 /nfs/dbraw/zinc/55/58/60/608555860.db2.gz SITDQSRXADZFCX-QMMMGPOBSA-N -1 1 292.774 2.906 20 0 CFADMM Cc1ccc2c(c1)CCCN2Cc1ccc(-c2nnn[n-]2)o1 ZINC000826294464 609172097 /nfs/dbraw/zinc/17/20/97/609172097.db2.gz RXAAUCXDUFPDBP-UHFFFAOYSA-N -1 1 295.346 2.721 20 0 CFADMM Cc1ccc2c(c1)CCCN2Cc1ccc(-c2nn[n-]n2)o1 ZINC000826294464 609172099 /nfs/dbraw/zinc/17/20/99/609172099.db2.gz RXAAUCXDUFPDBP-UHFFFAOYSA-N -1 1 295.346 2.721 20 0 CFADMM Cc1cccc2c1CCCN2Cc1ccc(-c2nnn[n-]2)o1 ZINC000826304857 609174745 /nfs/dbraw/zinc/17/47/45/609174745.db2.gz AYDMAFSKNWDDTO-UHFFFAOYSA-N -1 1 295.346 2.721 20 0 CFADMM Cc1cccc2c1CCCN2Cc1ccc(-c2nn[n-]n2)o1 ZINC000826304857 609174748 /nfs/dbraw/zinc/17/47/48/609174748.db2.gz AYDMAFSKNWDDTO-UHFFFAOYSA-N -1 1 295.346 2.721 20 0 CFADMM Clc1ccc(NC23CCC(CC2)C3)nc1-c1nnn[n-]1 ZINC000826352192 609597219 /nfs/dbraw/zinc/59/72/19/609597219.db2.gz RAACPOQMJFBOIB-UHFFFAOYSA-N -1 1 290.758 2.660 20 0 CFADMM Clc1ccc(NC23CCC(CC2)C3)nc1-c1nn[n-]n1 ZINC000826352192 609597223 /nfs/dbraw/zinc/59/72/23/609597223.db2.gz RAACPOQMJFBOIB-UHFFFAOYSA-N -1 1 290.758 2.660 20 0 CFADMM COCc1nc(N2CCC[C@H]2c2ccccc2)cc(=O)[n-]1 ZINC000891660678 617699643 /nfs/dbraw/zinc/69/96/43/617699643.db2.gz QCGOOYCHVLTLSG-ZDUSSCGKSA-N -1 1 285.347 2.670 20 0 CFADMM C[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000049082576 618078662 /nfs/dbraw/zinc/07/86/62/618078662.db2.gz YTQXRQJZJJXGMS-VIFPVBQESA-N -1 1 253.729 2.918 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC(C)(C)C[C@@H]1C ZINC000840531790 617678927 /nfs/dbraw/zinc/67/89/27/617678927.db2.gz REEOSNCQDGFRKA-JTQLQIEISA-N -1 1 291.395 2.875 20 0 CFADMM CC(=Cc1ccco1)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615897 617686436 /nfs/dbraw/zinc/68/64/36/617686436.db2.gz WPRVHMQMQKLHTH-KTKRTIGZSA-N -1 1 299.330 2.696 20 0 CFADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1CCCC12CC2 ZINC000891616520 617686530 /nfs/dbraw/zinc/68/65/30/617686530.db2.gz 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CC1(C(=O)[O-])CC(N[C@H](CF)c2ccc(F)cc2)C1 ZINC000902187949 620991070 /nfs/dbraw/zinc/99/10/70/620991070.db2.gz ZPELPVBTOBIUDH-MBHSVXNSSA-N -1 1 269.291 2.679 20 0 CFADMM Cc1occc1CNCc1cc(C(=O)[O-])cs1 ZINC000902195013 620995973 /nfs/dbraw/zinc/99/59/73/620995973.db2.gz DBRAPOVNWKQVLH-UHFFFAOYSA-N -1 1 251.307 2.638 20 0 CFADMM O=C([O-])c1cccc(CN[C@H]2CCc3ccc(F)cc32)n1 ZINC000902236785 621004255 /nfs/dbraw/zinc/00/42/55/621004255.db2.gz XXWXTYSQCCTRFY-AWEZNQCLSA-N -1 1 286.306 2.696 20 0 CFADMM C[C@H](NCc1ccc(C(=O)[O-])c(Cl)c1)c1cnn(C)c1 ZINC000902240950 621009922 /nfs/dbraw/zinc/00/99/22/621009922.db2.gz ZNATZBFOFSBDMG-VIFPVBQESA-N -1 1 293.754 2.623 20 0 CFADMM COc1ccc(CNCc2cc(C(=O)[O-])oc2C)c(C)c1 ZINC000902270074 621019349 /nfs/dbraw/zinc/01/93/49/621019349.db2.gz RXJRWIKLJPEFKL-UHFFFAOYSA-N -1 1 289.331 2.893 20 0 CFADMM Cn1cc([C@H](NCc2ccc(C(=O)[O-])o2)C(C)(C)C)cn1 ZINC000902395845 621064658 /nfs/dbraw/zinc/06/46/58/621064658.db2.gz NHYJSQJOCQSDLO-ZDUSSCGKSA-N -1 1 291.351 2.588 20 0 CFADMM O=C([O-])/C=C\c1ccc(CN2CC(CC3CC3)C2)o1 ZINC000902463443 621097529 /nfs/dbraw/zinc/09/75/29/621097529.db2.gz RDCTTZGOPVPNBS-WAYWQWQTSA-N -1 1 261.321 2.609 20 0 CFADMM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC000902570715 621127495 /nfs/dbraw/zinc/12/74/95/621127495.db2.gz QENSNORYAUPLFW-SNVBAGLBSA-N -1 1 283.755 2.649 20 0 CFADMM Cc1ccc(F)c(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)c1F ZINC000903406949 621362602 /nfs/dbraw/zinc/36/26/02/621362602.db2.gz BCKFFLPEGZLHOL-KOLCDFICSA-N -1 1 283.318 2.816 20 0 CFADMM Cc1ccc(F)c(CN2CCC[C@H](C(=O)[O-])C2)c1F ZINC000903402560 621369160 /nfs/dbraw/zinc/36/91/60/621369160.db2.gz TWKFGITWPDLMIY-JTQLQIEISA-N -1 1 269.291 2.570 20 0 CFADMM CCC(F)(F)CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000903607044 621401304 /nfs/dbraw/zinc/40/13/04/621401304.db2.gz PZJNXTRBXOPSSF-OUAUKWLOSA-N -1 1 261.312 2.607 20 0 CFADMM CN(CCCF)Cc1cc(C(=O)[O-])ccc1Cl ZINC000903627221 621408947 /nfs/dbraw/zinc/40/89/47/621408947.db2.gz NERSZFKVRJOSBY-UHFFFAOYSA-N -1 1 259.708 2.830 20 0 CFADMM CCS(=O)(=O)[N-]c1c(C)cccc1C(=O)OC(C)(C)C ZINC000903641640 621410881 /nfs/dbraw/zinc/41/08/81/621410881.db2.gz BJSJZEOEPJCMDM-UHFFFAOYSA-N -1 1 299.392 2.712 20 0 CFADMM C[C@H]1COCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000903633062 621412265 /nfs/dbraw/zinc/41/22/65/621412265.db2.gz HJVNRVFDCBEUEG-SNVBAGLBSA-N -1 1 283.755 2.507 20 0 CFADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])s2)CCC1(F)F ZINC000903688837 621415754 /nfs/dbraw/zinc/41/57/54/621415754.db2.gz BNRGJVHAHBKKRB-QMMMGPOBSA-N -1 1 275.320 2.923 20 0 CFADMM CC(C)(C)c1nc(CN2CC[C@]3(C(=O)[O-])CCC[C@H]23)co1 ZINC000903912372 621472135 /nfs/dbraw/zinc/47/21/35/621472135.db2.gz AUAKPCDMHYDVMR-BLLLJJGKSA-N -1 1 292.379 2.801 20 0 CFADMM C[C@@H]1CN(Cc2coc(C(C)(C)C)n2)C[C@H]1CC(=O)[O-] ZINC000903916887 621478785 /nfs/dbraw/zinc/47/87/85/621478785.db2.gz TYWDAWNFASTACI-GHMZBOCLSA-N -1 1 280.368 2.515 20 0 CFADMM CO[C@H]1CC[C@H]1N(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000903946705 621484362 /nfs/dbraw/zinc/48/43/62/621484362.db2.gz LMNGGCMHPHSCRA-OLZOCXBDSA-N -1 1 283.755 2.647 20 0 CFADMM Cc1coc(CNCc2cccc(CCC(=O)[O-])c2)c1 ZINC000904025965 621511927 /nfs/dbraw/zinc/51/19/27/621511927.db2.gz MEWYXJBLJMRNIZ-UHFFFAOYSA-N -1 1 273.332 2.895 20 0 CFADMM CC[C@H](NCC=Cc1ccccc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904065705 621514654 /nfs/dbraw/zinc/51/46/54/621514654.db2.gz UZLHZZPKRGUQCS-XURPKSDJSA-N -1 1 285.347 2.862 20 0 CFADMM CN[C@@H](CC(C)C)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000904077543 621517555 /nfs/dbraw/zinc/51/75/55/621517555.db2.gz CUJROJGIQFRDPO-LBPRGKRZSA-N -1 1 289.335 2.741 20 0 CFADMM O=C([O-])c1cccc(CN[C@@H]2CCCc3cccnc32)c1 ZINC000904259903 621563641 /nfs/dbraw/zinc/56/36/41/621563641.db2.gz LGQVNXAYELKZJM-OAHLLOKOSA-N -1 1 282.343 2.947 20 0 CFADMM O=C([O-])c1cccc(CN[C@H]2CCCc3cccnc32)c1 ZINC000904259902 621563916 /nfs/dbraw/zinc/56/39/16/621563916.db2.gz LGQVNXAYELKZJM-HNNXBMFYSA-N -1 1 282.343 2.947 20 0 CFADMM C[C@@H](NCc1ccc(C(=O)[O-])o1)c1ccc2c(c1)CCO2 ZINC000905769694 621858745 /nfs/dbraw/zinc/85/87/45/621858745.db2.gz IEHKUTPQWVVRFP-SNVBAGLBSA-N -1 1 287.315 2.764 20 0 CFADMM C[C@@H](NCc1csc(C(=O)[O-])c1)c1cncs1 ZINC000905788348 621872215 /nfs/dbraw/zinc/87/22/15/621872215.db2.gz ARZYIOIVJZIVTM-SSDOTTSWSA-N -1 1 268.363 2.754 20 0 CFADMM Cc1[nH]c(C(=O)[C@@H](C)N2C3CCC2CC3)c(C)c1C(=O)[O-] ZINC000832843400 625533896 /nfs/dbraw/zinc/53/38/96/625533896.db2.gz WEIAYTCCAFGQSV-VOMCLLRMSA-N -1 1 290.363 2.528 20 0 CFADMM CCn1nc(C(=O)Nc2ccc(F)cc2[O-])cc1C1CC1 ZINC000907147327 622092981 /nfs/dbraw/zinc/09/29/81/622092981.db2.gz XGRPLDIYPMDPKW-UHFFFAOYSA-N -1 1 289.310 2.877 20 0 CFADMM C[C@@H]1CCC[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC000907630817 622144367 /nfs/dbraw/zinc/14/43/67/622144367.db2.gz PDPUZPLIRANHHS-ZYHUDNBSSA-N -1 1 289.379 2.758 20 0 CFADMM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000907678974 622151146 /nfs/dbraw/zinc/15/11/46/622151146.db2.gz VCWFJZAPIGBPER-VWYCJHECSA-N -1 1 289.379 2.566 20 0 CFADMM CCC(C)(C)C(=O)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000908208256 622204581 /nfs/dbraw/zinc/20/45/81/622204581.db2.gz NMMWUDIYZBQKHS-UHFFFAOYSA-N -1 1 277.320 2.539 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CC(C)(C)CC(F)(F)F ZINC000908370544 622222026 /nfs/dbraw/zinc/22/20/26/622222026.db2.gz KIAOALJPIXNIJO-UHFFFAOYSA-N -1 1 279.262 2.731 20 0 CFADMM O=C(c1c([O-])cnc2c(F)cccc21)N1CC[C@H]1C(F)F ZINC000908506338 622239860 /nfs/dbraw/zinc/23/98/60/622239860.db2.gz RQOUGJHCGSZUGN-VIFPVBQESA-N -1 1 296.248 2.559 20 0 CFADMM O=C([N-]C1(c2ccc(OC(F)(F)F)cc2)CC1)C(F)F ZINC000833226129 625551633 /nfs/dbraw/zinc/55/16/33/625551633.db2.gz LOWJRGNMHMDUOL-UHFFFAOYSA-N -1 1 295.207 2.956 20 0 CFADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CCC=CO1 ZINC000908710918 622267676 /nfs/dbraw/zinc/26/76/76/622267676.db2.gz XAPNOJCWPYZHIS-SNVBAGLBSA-N -1 1 298.136 2.786 20 0 CFADMM COCCCC(=O)Nc1cccc([O-])c1Br ZINC000908714793 622268174 /nfs/dbraw/zinc/26/81/74/622268174.db2.gz NHJQRQFKLBVLPS-UHFFFAOYSA-N -1 1 288.141 2.520 20 0 CFADMM Cc1c(NC(=O)CN2[C@H](C)CC[C@H]2C)cccc1C(=O)[O-] ZINC000908835065 622279365 /nfs/dbraw/zinc/27/93/65/622279365.db2.gz VKROCVXPGPJXOJ-GHMZBOCLSA-N -1 1 290.363 2.505 20 0 CFADMM CC(=O)CCCCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000909084228 622308064 /nfs/dbraw/zinc/30/80/64/622308064.db2.gz CWZIAXUSOGXXDL-UHFFFAOYSA-N -1 1 283.755 2.925 20 0 CFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCCN1C(C)C ZINC000909085962 622308666 /nfs/dbraw/zinc/30/86/66/622308666.db2.gz HUGRFDMQRZKHCA-CQSZACIVSA-N -1 1 290.363 2.505 20 0 CFADMM COCCOC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000909859290 622358884 /nfs/dbraw/zinc/35/88/84/622358884.db2.gz JTEGHRGQBWFKIJ-UHFFFAOYSA-N -1 1 265.092 2.502 20 0 CFADMM O=C(CCC(F)F)Nc1cc([O-])c(F)cc1F ZINC000909986246 622380409 /nfs/dbraw/zinc/38/04/09/622380409.db2.gz DUTBWVFENYXYCG-UHFFFAOYSA-N -1 1 251.179 2.654 20 0 CFADMM CC(C)c1cc(C(=O)Nc2cc([O-])c(F)cc2F)nn1C ZINC000909983271 622381455 /nfs/dbraw/zinc/38/14/55/622381455.db2.gz SSJJVJLKGGEXKZ-UHFFFAOYSA-N -1 1 295.289 2.780 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)C1CC2(CC2)C1 ZINC000909988382 622382319 /nfs/dbraw/zinc/38/23/19/622382319.db2.gz IEMVCJJBHAHOFY-UHFFFAOYSA-N -1 1 253.248 2.799 20 0 CFADMM C[C@H](CC(=O)Nc1cc([O-])c(F)cc1F)[C@H]1CCCO1 ZINC000909988479 622382426 /nfs/dbraw/zinc/38/24/26/622382426.db2.gz MESFIHIODRZVLD-AMIZOPFISA-N -1 1 285.290 2.814 20 0 CFADMM COC[C@]1(C)CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000833543974 625569305 /nfs/dbraw/zinc/56/93/05/625569305.db2.gz RSRDXLRIGPWMPE-CQSZACIVSA-N -1 1 283.755 2.544 20 0 CFADMM CC(=Cc1c(Cl)cccc1Cl)C(=O)Nc1nnn[n-]1 ZINC000184061277 625570905 /nfs/dbraw/zinc/57/09/05/625570905.db2.gz KROGIVDLSJQPIK-AATRIKPKSA-N -1 1 298.133 2.549 20 0 CFADMM CC(=Cc1c(Cl)cccc1Cl)C(=O)Nc1nn[n-]n1 ZINC000184061277 625570911 /nfs/dbraw/zinc/57/09/11/625570911.db2.gz KROGIVDLSJQPIK-AATRIKPKSA-N -1 1 298.133 2.549 20 0 CFADMM CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984269 622494501 /nfs/dbraw/zinc/49/45/01/622494501.db2.gz VTLSWIRKVBPWPR-BDAKNGLRSA-N -1 1 255.264 2.901 20 0 CFADMM C[C@H]1CC[C@@H](CCC(=O)Nc2cc(F)cc(F)c2[O-])O1 ZINC000910983960 622494520 /nfs/dbraw/zinc/49/45/20/622494520.db2.gz ZFMNUPJZORVVFF-WPRPVWTQSA-N -1 1 285.290 2.957 20 0 CFADMM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910981989 622494526 /nfs/dbraw/zinc/49/45/26/622494526.db2.gz HEHKBOCQDLIJSI-OIBJUYFYSA-N -1 1 283.274 2.614 20 0 CFADMM O=C(CCC1CCOCC1)Nc1cc(F)cc(F)c1[O-] ZINC000910982834 622494690 /nfs/dbraw/zinc/49/46/90/622494690.db2.gz RCSGRWKLAAMOOW-UHFFFAOYSA-N -1 1 285.290 2.816 20 0 CFADMM C[C@H](CC(=O)Nc1cc(F)cc(F)c1[O-])[C@@H]1CCCO1 ZINC000910986322 622495101 /nfs/dbraw/zinc/49/51/01/622495101.db2.gz KKZLPZCFJVHSBU-PELKAZGASA-N -1 1 285.290 2.814 20 0 CFADMM COC[C@@H](C)[C@@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910986446 622495283 /nfs/dbraw/zinc/49/52/83/622495283.db2.gz HCRXDDROMHTLAL-HTQZYQBOSA-N -1 1 273.279 2.528 20 0 CFADMM CO[C@@H]1CCC[C@H](C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910985725 622495517 /nfs/dbraw/zinc/49/55/17/622495517.db2.gz BTWKKCXLSUWYIZ-WCBMZHEXSA-N -1 1 285.290 2.814 20 0 CFADMM Cn1ncc(C2CC2)c1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910986088 622495544 /nfs/dbraw/zinc/49/55/44/622495544.db2.gz HUUPASGWLYZIEH-UHFFFAOYSA-N -1 1 293.273 2.534 20 0 CFADMM CCOC1CC2(C[C@H]2C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910991850 622496971 /nfs/dbraw/zinc/49/69/71/622496971.db2.gz UYXWBLXTWKTKFN-VOZQYIJBSA-N -1 1 297.301 2.814 20 0 CFADMM C[C@@H]1CCC[C@H](C)N1NC(=O)c1c(F)ccc([O-])c1F ZINC000819644429 622542132 /nfs/dbraw/zinc/54/21/32/622542132.db2.gz HPWQHTTZGOHLKN-DTORHVGOSA-N -1 1 284.306 2.578 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CC(CC(F)F)C1 ZINC000819731392 622548980 /nfs/dbraw/zinc/54/89/80/622548980.db2.gz OBEWRTVUOVCAJS-UHFFFAOYSA-N -1 1 275.682 2.773 20 0 CFADMM CC[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000912128544 622637677 /nfs/dbraw/zinc/63/76/77/622637677.db2.gz JSDLNMIMWYTOJS-STQMWFEESA-N -1 1 297.782 2.811 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C=Cc1ccc(Cl)cc1 ZINC000820401587 622663994 /nfs/dbraw/zinc/66/39/94/622663994.db2.gz BFSJHLZXFXNROQ-DAXSKMNVSA-N -1 1 277.711 2.729 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C=CSc1ccccc1 ZINC000820402531 622664190 /nfs/dbraw/zinc/66/41/90/622664190.db2.gz LKGODEWOAJJMHP-FPLPWBNLSA-N -1 1 275.333 2.668 20 0 CFADMM CCCc1ccccc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000820408166 622664714 /nfs/dbraw/zinc/66/47/14/622664714.db2.gz WOZVREOBDWFOFX-UHFFFAOYSA-N -1 1 259.309 2.629 20 0 CFADMM CCO[N-]C(=O)Cc1sc(SCC(C)C)nc1C ZINC000820517993 622693438 /nfs/dbraw/zinc/69/34/38/622693438.db2.gz OLACUFBOCJFYBF-UHFFFAOYSA-N -1 1 288.438 2.810 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])C1CC2(CC2)C1 ZINC000834298248 625594130 /nfs/dbraw/zinc/59/41/30/625594130.db2.gz MDZIYGURBBIRKW-UHFFFAOYSA-N -1 1 252.701 2.569 20 0 CFADMM CC1(C)CC[C@@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000834298322 625594440 /nfs/dbraw/zinc/59/44/40/625594440.db2.gz NGQAOHALMAOZEH-SSDOTTSWSA-N -1 1 254.717 2.815 20 0 CFADMM COc1cnc(C=Cc2ccccc2OC(F)F)[n-]c1=O ZINC000821007265 622818962 /nfs/dbraw/zinc/81/89/62/622818962.db2.gz GKTQUQGGSRIMJQ-SREVYHEPSA-N -1 1 294.257 2.963 20 0 CFADMM C[C@H]1c2c[nH]nc2CC[C@@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000913159889 622839796 /nfs/dbraw/zinc/83/97/96/622839796.db2.gz YTWSXOSPOOYZJG-BDAKNGLRSA-N -1 1 289.310 2.559 20 0 CFADMM O=C(C[C@@H]1C=CCC1)Nc1nc(Br)ccc1[O-] ZINC000156366420 622937278 /nfs/dbraw/zinc/93/72/78/622937278.db2.gz VMRXWXFDFSWKGX-MRVPVSSYSA-N -1 1 297.152 2.845 20 0 CFADMM COc1cccc(S([O-])=CC(=O)O[C@H]2CCC2(C)C)c1 ZINC000821828682 622986154 /nfs/dbraw/zinc/98/61/54/622986154.db2.gz NQGIRYIJDLWKLC-RNODOKPDSA-N -1 1 296.388 2.535 20 0 CFADMM C[C@H](NCc1cc(C(=O)[O-])co1)c1ccc2c(c1)OCO2 ZINC000228161048 623133494 /nfs/dbraw/zinc/13/34/94/623133494.db2.gz DAADJHSEODCGHB-VIFPVBQESA-N -1 1 289.287 2.557 20 0 CFADMM O=C(C[C@H]1CC[C@@H](C2CC2)O1)Nc1cc(F)cc(F)c1[O-] ZINC000822971266 623212356 /nfs/dbraw/zinc/21/23/56/623212356.db2.gz BJSMWHQWLQIUPU-MFKMUULPSA-N -1 1 297.301 2.957 20 0 CFADMM O=C(C[C@H]1CC[C@H](C2CC2)O1)Nc1cc(F)cc(F)c1[O-] ZINC000822971267 623212477 /nfs/dbraw/zinc/21/24/77/623212477.db2.gz BJSMWHQWLQIUPU-ZWNOBZJWSA-N -1 1 297.301 2.957 20 0 CFADMM Cc1ccoc1CN1CCc2c(cccc2C(=O)[O-])C1 ZINC000229553675 623212590 /nfs/dbraw/zinc/21/25/90/623212590.db2.gz WVOCWXLOYAPORM-UHFFFAOYSA-N -1 1 271.316 2.845 20 0 CFADMM Cc1ccoc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000229550723 623212615 /nfs/dbraw/zinc/21/26/15/623212615.db2.gz QCJLMQAOPWNSOT-UHFFFAOYSA-N -1 1 259.305 2.918 20 0 CFADMM O=C(CCC1CC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000604600717 623225206 /nfs/dbraw/zinc/22/52/06/623225206.db2.gz ATIBKEREPSHJDK-UHFFFAOYSA-N -1 1 271.320 2.911 20 0 CFADMM CC[C@@H](Cc1cccc(C)c1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000823129347 623242385 /nfs/dbraw/zinc/24/23/85/623242385.db2.gz FDLHZELKKMAVOS-ZDUSSCGKSA-N -1 1 287.363 2.940 20 0 CFADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(C)cc1 ZINC000232443789 623411320 /nfs/dbraw/zinc/41/13/20/623411320.db2.gz JWLZENYJCXJZQN-UHFFFAOYSA-N -1 1 259.305 2.884 20 0 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ZINC000776813232 628180307 /nfs/dbraw/zinc/18/03/07/628180307.db2.gz VMZJQTJMXUYWBR-UHFFFAOYSA-N -1 1 276.296 2.666 20 0 CFADMM Cc1cnc(CSc2nc(C)c(C)c(=O)[n-]2)s1 ZINC000776869979 628183441 /nfs/dbraw/zinc/18/34/41/628183441.db2.gz NUBAHABWAQHIBH-UHFFFAOYSA-N -1 1 267.379 2.856 20 0 CFADMM C[C@H](OC(=O)c1cn[n-]n1)c1cccc2ccccc21 ZINC000805607388 628307297 /nfs/dbraw/zinc/30/72/97/628307297.db2.gz WCYFMIHSWOSBFZ-JTQLQIEISA-N -1 1 267.288 2.876 20 0 CFADMM O=C(OCCc1cccc(Cl)c1Cl)c1cn[n-]n1 ZINC000805608231 628308493 /nfs/dbraw/zinc/30/84/93/628308493.db2.gz BPHHLDQVFDMRFW-UHFFFAOYSA-N -1 1 286.118 2.511 20 0 CFADMM C[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)C[C@H]1F ZINC000778470057 628309473 /nfs/dbraw/zinc/30/94/73/628309473.db2.gz OYHRJVHQJSHUIQ-PSASIEDQSA-N -1 1 271.719 2.866 20 0 CFADMM CCC(CC)[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)CCO1 ZINC000778487513 628310609 /nfs/dbraw/zinc/31/06/09/628310609.db2.gz IKWXXYJAGNJBIO-NXEZZACHSA-N -1 1 267.291 2.649 20 0 CFADMM Cc1ccc([C@H](C)NC(=O)c2ncc(C)cc2[O-])s1 ZINC000778566560 628315853 /nfs/dbraw/zinc/31/58/53/628315853.db2.gz LTKSFKCOVBIDQN-JTQLQIEISA-N -1 1 276.361 2.957 20 0 CFADMM Cc1nc2cc(NC(=O)c3cncc([O-])c3)ccc2s1 ZINC000781433271 628548117 /nfs/dbraw/zinc/54/81/17/628548117.db2.gz FTHXBGNPAFLJAB-UHFFFAOYSA-N -1 1 285.328 2.958 20 0 CFADMM CO[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000783636272 628729340 /nfs/dbraw/zinc/72/93/40/628729340.db2.gz RVQKWBWUJIZHRL-JTQLQIEISA-N -1 1 283.755 2.687 20 0 CFADMM CC(C)[C@@H]1C[C@H]1C(=O)Nc1nc(Br)ccc1[O-] ZINC000783906335 628754451 /nfs/dbraw/zinc/75/44/51/628754451.db2.gz RLPOCXUCKXKONR-JGVFFNPUSA-N -1 1 299.168 2.780 20 0 CFADMM O=C(OCCC1(O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000785674647 628903210 /nfs/dbraw/zinc/90/32/10/628903210.db2.gz ZSLQQTMIPPSUSR-UHFFFAOYSA-N -1 1 291.130 2.771 20 0 CFADMM FC(F)c1nnc([N-]Cc2nc3c(s2)CCC3)o1 ZINC000787239131 629000564 /nfs/dbraw/zinc/00/05/64/629000564.db2.gz JXTFIWMAJNHMDY-UHFFFAOYSA-N -1 1 272.280 2.565 20 0 CFADMM Cc1cccnc1C(F)(F)C(=O)Nc1c([O-])cccc1F ZINC000787473812 629015341 /nfs/dbraw/zinc/01/53/41/629015341.db2.gz PKDSWMIZGGKTPJ-UHFFFAOYSA-N -1 1 296.248 2.965 20 0 CFADMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1c([O-])cccc1Cl ZINC000787718085 629028922 /nfs/dbraw/zinc/02/89/22/629028922.db2.gz GEXBEPPJIXAQCL-JDICNCQASA-N -1 1 251.713 2.574 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1nc(Cl)cs1 ZINC000790005979 629202925 /nfs/dbraw/zinc/20/29/25/629202925.db2.gz CUNNGRSNLCOCNA-UHFFFAOYSA-N -1 1 272.688 2.894 20 0 CFADMM CCOC1CC(CC(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000790047368 629204734 /nfs/dbraw/zinc/20/47/34/629204734.db2.gz FXRVONZHGJQYFE-UHFFFAOYSA-N -1 1 284.743 2.584 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])C12CCC(CC1)C2 ZINC000790047099 629205038 /nfs/dbraw/zinc/20/50/38/629205038.db2.gz DYSKHXDYXXUHRT-UHFFFAOYSA-N -1 1 266.728 2.959 20 0 CFADMM C[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])C(F)(F)F ZINC000790047038 629205042 /nfs/dbraw/zinc/20/50/42/629205042.db2.gz ANMJMEFGCNUSFT-BYPYZUCNSA-N -1 1 268.622 2.578 20 0 CFADMM C[C@H](CC(=O)Nc1nc(Cl)ccc1[O-])c1cccnc1 ZINC000790048282 629205589 /nfs/dbraw/zinc/20/55/89/629205589.db2.gz SAWHLJQGPZGETQ-SECBINFHSA-N -1 1 291.738 2.968 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H](F)Cc1ccccc1 ZINC000790051232 629205693 /nfs/dbraw/zinc/20/56/93/629205693.db2.gz OGQGQBCSZWWOHD-SNVBAGLBSA-N -1 1 294.713 2.960 20 0 CFADMM C[C@@H](CC(=O)Nc1nc(Cl)ccc1[O-])c1cccnc1 ZINC000790048286 629205703 /nfs/dbraw/zinc/20/57/03/629205703.db2.gz SAWHLJQGPZGETQ-VIFPVBQESA-N -1 1 291.738 2.968 20 0 CFADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790056531 629206417 /nfs/dbraw/zinc/20/64/17/629206417.db2.gz NWFHHOAXRWYHQR-ONGXEEELSA-N -1 1 298.770 2.974 20 0 CFADMM O=C(Cc1cccc(C(F)F)c1)[N-]O[C@H]1CCCCO1 ZINC000790619006 629253097 /nfs/dbraw/zinc/25/30/97/629253097.db2.gz YJZMPLAHFBVOGH-ZDUSSCGKSA-N -1 1 285.290 2.741 20 0 CFADMM O=C(Nc1cccc2ocnc21)c1ccccc1[O-] ZINC000791002140 629279551 /nfs/dbraw/zinc/27/95/51/629279551.db2.gz FBJQHQXCZKQCNM-UHFFFAOYSA-N -1 1 254.245 2.786 20 0 CFADMM O=C(NC[C@H]1CCSC1)c1c([O-])cccc1Cl ZINC000791064160 629286036 /nfs/dbraw/zinc/28/60/36/629286036.db2.gz YGTKCIXYHALZGW-MRVPVSSYSA-N -1 1 271.769 2.529 20 0 CFADMM CO[C@]1(C)CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000792505552 629428815 /nfs/dbraw/zinc/42/88/15/629428815.db2.gz UQSOTRCDTZFIKA-CQSZACIVSA-N -1 1 283.755 2.687 20 0 CFADMM COCCC[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000792551346 629433137 /nfs/dbraw/zinc/43/31/37/629433137.db2.gz LCLNIMJVBNSHND-LBPRGKRZSA-N -1 1 289.297 2.703 20 0 CFADMM CC(C)(NC(=O)c1c([O-])cccc1Cl)C(F)F ZINC000792596282 629436949 /nfs/dbraw/zinc/43/69/49/629436949.db2.gz ZQFLESMPMKMCJS-UHFFFAOYSA-N -1 1 263.671 2.819 20 0 CFADMM CCc1cnc(C[N-]C(=O)C(F)(F)c2ccccc2F)o1 ZINC000793834270 629599411 /nfs/dbraw/zinc/59/94/11/629599411.db2.gz LLFAFUXJNMYYQG-UHFFFAOYSA-N -1 1 298.264 2.784 20 0 CFADMM CC[C@@H](C)CO[N-]C(=O)[C@H](C)c1ccc2c(c1)OCO2 ZINC000794844370 629694147 /nfs/dbraw/zinc/69/41/47/629694147.db2.gz ZIRYPKLECSCXTF-GHMZBOCLSA-N -1 1 279.336 2.613 20 0 CFADMM CCc1ccccc1OCCC(=O)[N-]O[C@@H]1CCCCO1 ZINC000795895125 629845794 /nfs/dbraw/zinc/84/57/94/629845794.db2.gz HWQGMIJTSDBMJO-MRXNPFEDSA-N -1 1 293.363 2.592 20 0 CFADMM COC(=O)c1ccc(C(=O)OC/C=C/c2ccccc2)[n-]1 ZINC000796367395 629909094 /nfs/dbraw/zinc/90/90/94/629909094.db2.gz ZHMNUEOHDGRMMD-VMPITWQZSA-N -1 1 285.299 2.672 20 0 CFADMM COC(=O)c1ccc(C(=O)Oc2cc(C)ccc2C)[n-]1 ZINC000796730663 629956907 /nfs/dbraw/zinc/95/69/07/629956907.db2.gz GOJVFEPXBYPRTG-UHFFFAOYSA-N -1 1 273.288 2.637 20 0 CFADMM COC(=O)c1ccc(C(=O)Oc2ccc(Cl)c(C)c2)[n-]1 ZINC000796731403 629956924 /nfs/dbraw/zinc/95/69/24/629956924.db2.gz KKVVIXQVRNAMIK-UHFFFAOYSA-N -1 1 293.706 2.982 20 0 CFADMM CC[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000796786336 629966789 /nfs/dbraw/zinc/96/67/89/629966789.db2.gz VLOAUMLRPDZYDL-MFKMUULPSA-N -1 1 279.336 2.927 20 0 CFADMM CC[C@@H]1CCC[C@@H](OC(=O)c2ccc(C(=O)OC)[n-]2)C1 ZINC000796899516 629986469 /nfs/dbraw/zinc/98/64/69/629986469.db2.gz YRBYPLYQKYOSOQ-GHMZBOCLSA-N -1 1 279.336 2.927 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@H](C)C2CCCCC2)[n-]1 ZINC000797014226 630004111 /nfs/dbraw/zinc/00/41/11/630004111.db2.gz JTGULGZUIUYEGI-SNVBAGLBSA-N -1 1 279.336 2.927 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@@H]2CC[C@@H]3CCC[C@@H]3C2)[n-]1 ZINC000797095994 630016750 /nfs/dbraw/zinc/01/67/50/630016750.db2.gz CDSDDXGDNYPWPV-QJPTWQEYSA-N -1 1 291.347 2.927 20 0 CFADMM COC(=O)c1ccc(C(=O)Oc2cc(F)c(F)cc2C)[n-]1 ZINC000797254002 630048472 /nfs/dbraw/zinc/04/84/72/630048472.db2.gz VGPYTRBYDFRENO-UHFFFAOYSA-N -1 1 295.241 2.607 20 0 CFADMM O=C([O-])c1cc2ccccc2cc1NC(=O)CN1CCCC1 ZINC000797752413 630100054 /nfs/dbraw/zinc/10/00/54/630100054.db2.gz DSQWTLZHIIXVQF-UHFFFAOYSA-N -1 1 298.342 2.572 20 0 CFADMM COCOc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000798133005 630154238 /nfs/dbraw/zinc/15/42/38/630154238.db2.gz OZNPGKKONPOYSD-UHFFFAOYSA-N -1 1 273.288 2.627 20 0 CFADMM COCCO[N-]C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000798974124 630266391 /nfs/dbraw/zinc/26/63/91/630266391.db2.gz XXFZREXOGXFEJS-VIFPVBQESA-N -1 1 291.269 2.503 20 0 CFADMM CC(C)(C)OCCCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000803172586 630588195 /nfs/dbraw/zinc/58/81/95/630588195.db2.gz RLJYEOVPTORHEK-UHFFFAOYSA-N -1 1 286.759 2.974 20 0 CFADMM CCc1nc(C(=O)Nc2nc(Cl)ccc2[O-])c(C)o1 ZINC000803172214 630588205 /nfs/dbraw/zinc/58/82/05/630588205.db2.gz JUTVRTRAGSTTPA-UHFFFAOYSA-N -1 1 281.699 2.552 20 0 CFADMM O=C(OCCCCF)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000803488529 630622982 /nfs/dbraw/zinc/62/29/82/630622982.db2.gz YGWJPFCLLBTCKY-UHFFFAOYSA-N -1 1 296.273 2.624 20 0 CFADMM CC(C)O[N-]C(=O)Cc1scnc1-c1ccccc1 ZINC000836798319 630885550 /nfs/dbraw/zinc/88/55/50/630885550.db2.gz KITQRRPARPHHHJ-UHFFFAOYSA-N -1 1 276.361 2.809 20 0 CFADMM CCO[C@@H]1CCC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000837138007 630962211 /nfs/dbraw/zinc/96/22/11/630962211.db2.gz SIWARPATSLGCSY-ZYHUDNBSSA-N -1 1 283.755 2.733 20 0 CFADMM O=C([N-]c1cccc2nonc21)c1c(F)ccc(F)c1F ZINC000808799070 631050101 /nfs/dbraw/zinc/05/01/01/631050101.db2.gz HLCJLUFDLPRWTB-UHFFFAOYSA-N -1 1 293.204 2.892 20 0 CFADMM O=C(OCCOCC1CCCC1)c1ccc([O-])cc1F ZINC000837611563 631085338 /nfs/dbraw/zinc/08/53/38/631085338.db2.gz KCCBAYNYLDARFX-UHFFFAOYSA-N -1 1 282.311 2.895 20 0 CFADMM O=C(OCC1CC(F)(F)C1)c1ccc([O-])cc1F ZINC000837612350 631085367 /nfs/dbraw/zinc/08/53/67/631085367.db2.gz NYLVEAUXMNBJIZ-UHFFFAOYSA-N -1 1 260.211 2.733 20 0 CFADMM C[C@@H](Cc1ccco1)NC(=O)c1c(F)ccc([O-])c1F ZINC000809603492 631243844 /nfs/dbraw/zinc/24/38/44/631243844.db2.gz QCHMWSAPFFFILN-QMMMGPOBSA-N -1 1 281.258 2.624 20 0 CFADMM Cc1ccc(-c2n[nH]cc2C=C2SC(=O)[N-]C2=O)cc1 ZINC000810191956 631341211 /nfs/dbraw/zinc/34/12/11/631341211.db2.gz AQYXCILANLSUIG-WDZFZDKYSA-N -1 1 285.328 2.709 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)C(C)=CC(C)(C)C)n1 ZINC000841221322 631361635 /nfs/dbraw/zinc/36/16/35/631361635.db2.gz ABMLQSWHHFVZEP-VQHVLOKHSA-N -1 1 279.340 2.517 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1nc2c(s1)CCC2 ZINC000841429564 631402668 /nfs/dbraw/zinc/40/26/68/631402668.db2.gz MGLYPTJMIDROAI-UHFFFAOYSA-N -1 1 295.751 2.638 20 0 CFADMM Cn1cc(OC(=O)c2cc3cc(Cl)sc3[n-]2)cn1 ZINC000810639354 631414218 /nfs/dbraw/zinc/41/42/18/631414218.db2.gz XUMXKKPGLQATKF-UHFFFAOYSA-N -1 1 281.724 2.836 20 0 CFADMM CCc1cc(=O)[n-]c(SC[C@H](O)c2ccc(F)cc2)n1 ZINC000840206016 631427121 /nfs/dbraw/zinc/42/71/21/631427121.db2.gz IUMJRVWOBHGYOU-LBPRGKRZSA-N -1 1 294.351 2.709 20 0 CFADMM O=C([O-])[C@H](F)CNCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000841815285 631474542 /nfs/dbraw/zinc/47/45/42/631474542.db2.gz HJGWUGRYGQOFPW-SECBINFHSA-N -1 1 299.651 2.871 20 0 CFADMM O=C([O-])[C@H](F)CNCc1ccc(SC(F)(F)F)cc1 ZINC000841814759 631474679 /nfs/dbraw/zinc/47/46/79/631474679.db2.gz BMDFROUHIIJEOL-SECBINFHSA-N -1 1 297.273 2.811 20 0 CFADMM Cc1cc2cc(CNC[C@@H](F)C(=O)[O-])oc2cc1C ZINC000841816408 631475582 /nfs/dbraw/zinc/47/55/82/631475582.db2.gz UHNREWPDOLUXAD-GFCCVEGCSA-N -1 1 265.284 2.562 20 0 CFADMM C[C@@H](O[N-]C(=O)CC(C)(C)C)C(=O)N(C)c1ccccc1 ZINC000842061195 631519219 /nfs/dbraw/zinc/51/92/19/631519219.db2.gz VZSKROCHALVTJW-GFCCVEGCSA-N -1 1 292.379 2.522 20 0 CFADMM CC(C)C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC000043431831 650016380 /nfs/dbraw/zinc/01/63/80/650016380.db2.gz KRIWZZVQTPULLI-UHTWSYAYSA-N -1 1 265.353 2.992 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CCCSC1 ZINC000811394320 631559032 /nfs/dbraw/zinc/55/90/32/631559032.db2.gz AUIHUCREEBKTLS-SSDOTTSWSA-N -1 1 272.757 2.522 20 0 CFADMM S=c1[n-]c2ccc(-c3nc([C@H]4CCCN4)no3)cc2o1 ZINC000842640838 631689434 /nfs/dbraw/zinc/68/94/34/631689434.db2.gz RGWUFOXQUMOQRP-SECBINFHSA-N -1 1 288.332 2.591 20 0 CFADMM CC(C)[C@H](N)c1noc(-c2cccc(Cl)c2[O-])n1 ZINC000843147884 631859277 /nfs/dbraw/zinc/85/92/77/631859277.db2.gz ISNHRUBJPUJIBW-VIFPVBQESA-N -1 1 267.716 2.751 20 0 CFADMM CC(F)(F)C[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000815067049 632194285 /nfs/dbraw/zinc/19/42/85/632194285.db2.gz OWCZUUWKUKFSJO-WAYWQWQTSA-N -1 1 295.738 2.885 20 0 CFADMM Cn1[n-]cc2c(=NC(=O)/C=C/C3CCCCCC3)ccnc1-2 ZINC000844502169 632233151 /nfs/dbraw/zinc/23/31/51/632233151.db2.gz HIGGGVRRUONPOF-JMXCSCQSSA-N -1 1 298.390 2.807 20 0 CFADMM COC1(CCOC(=O)c2ccc([O-])cc2F)CCC1 ZINC000815230930 632235727 /nfs/dbraw/zinc/23/57/27/632235727.db2.gz WBYIASVUGUVGLK-UHFFFAOYSA-N -1 1 268.284 2.647 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)C=C(C)C(C)(C)C)n1 ZINC000816536367 632479355 /nfs/dbraw/zinc/47/93/55/632479355.db2.gz UEGQEEBPEHPVKA-VQHVLOKHSA-N -1 1 279.340 2.517 20 0 CFADMM CCC[C@H](NC(=O)C=CC1CCCCCC1)c1nn[n-]n1 ZINC000845730768 632538454 /nfs/dbraw/zinc/53/84/54/632538454.db2.gz PAHNXHZIADSHSU-NHAQELONSA-N -1 1 291.399 2.684 20 0 CFADMM CCC[C@H](NC(=O)/C=C/C1CCCCCC1)c1nn[n-]n1 ZINC000845730768 632538458 /nfs/dbraw/zinc/53/84/58/632538458.db2.gz PAHNXHZIADSHSU-NHAQELONSA-N -1 1 291.399 2.684 20 0 CFADMM CC[C@H](C(=O)[N-]OCC1CC1)c1ccc(OC)cc1 ZINC000817339501 632609274 /nfs/dbraw/zinc/60/92/74/632609274.db2.gz MAUCXVCIOMMERJ-AWEZNQCLSA-N -1 1 263.337 2.647 20 0 CFADMM 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/nfs/dbraw/zinc/52/28/54/779522854.db2.gz ICNWJAKULHVRPO-UHFFFAOYSA-N -1 1 278.258 2.791 20 0 CFADMM O=C([O-])c1c(F)cc(-c2cc3[nH]cnc3cn2)cc1F ZINC001239333580 779523002 /nfs/dbraw/zinc/52/30/02/779523002.db2.gz WAFLYKHZDMDGEC-UHFFFAOYSA-N -1 1 275.214 2.601 20 0 CFADMM Nc1[nH]c2ccc(-c3cc(F)c(C(=O)[O-])c(F)c3)cc2[nH+]1 ZINC001239352554 779531466 /nfs/dbraw/zinc/53/14/66/779531466.db2.gz VHOHSZVIXVCSMC-UHFFFAOYSA-N -1 1 289.241 2.789 20 0 CFADMM Cc1cc(C)cc(-c2nc(C)cc3c2C(=O)[N-]C3=O)c1 ZINC001239522483 779605691 /nfs/dbraw/zinc/60/56/91/779605691.db2.gz ASCFGKBGFIUPID-UHFFFAOYSA-N -1 1 266.300 2.557 20 0 CFADMM Cc1cc(C)c(-c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC001239551331 779621890 /nfs/dbraw/zinc/62/18/90/779621890.db2.gz WVXULVXCSQAPRI-UHFFFAOYSA-N -1 1 265.320 2.854 20 0 CFADMM Cc1cc(C)c(-c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC001239551331 779621893 /nfs/dbraw/zinc/62/18/93/779621893.db2.gz WVXULVXCSQAPRI-UHFFFAOYSA-N -1 1 265.320 2.854 20 0 CFADMM O=C1Cc2cc(-c3ccc4[nH]ccc4c3)ccc2C(=O)[N-]1 ZINC001239697133 779715076 /nfs/dbraw/zinc/71/50/76/779715076.db2.gz PILIOHWLNHFDJF-UHFFFAOYSA-N -1 1 276.295 2.647 20 0 CFADMM Cc1cccc(CONC(=O)c2c([O-])cccc2Cl)n1 ZINC001168634138 780141458 /nfs/dbraw/zinc/14/14/58/780141458.db2.gz KHOFVPQZHFROKD-UHFFFAOYSA-N -1 1 292.722 2.611 20 0 CFADMM O=C([O-])C=Cc1cccc(-c2cc3[nH]cnc3cn2)c1 ZINC001240545708 780239665 /nfs/dbraw/zinc/23/96/65/780239665.db2.gz BHSQPAUFOXVMFI-SNAWJCMRSA-N -1 1 265.272 2.723 20 0 CFADMM O=C([O-])C=Cc1cccc(-c2ccc3[nH]nnc3c2)c1 ZINC001240549802 780243780 /nfs/dbraw/zinc/24/37/80/780243780.db2.gz WYEZORRWEYBEMQ-QPJJXVBHSA-N -1 1 265.272 2.723 20 0 CFADMM O=C([O-])C=Cc1cccc(-c2ccc3nn[nH]c3c2)c1 ZINC001240549802 780243784 /nfs/dbraw/zinc/24/37/84/780243784.db2.gz WYEZORRWEYBEMQ-QPJJXVBHSA-N -1 1 265.272 2.723 20 0 CFADMM COC(=O)c1ccnc(-c2cc(F)ccc2[O-])c1C ZINC001240693148 780363573 /nfs/dbraw/zinc/36/35/73/780363573.db2.gz CZAUKHHSSOFRPC-UHFFFAOYSA-N -1 1 261.252 2.688 20 0 CFADMM COC(=O)c1cnc(-c2cc(F)ccc2[O-])cc1C ZINC001240693460 780364859 /nfs/dbraw/zinc/36/48/59/780364859.db2.gz RXPSBSUVTRDEAG-UHFFFAOYSA-N -1 1 261.252 2.688 20 0 CFADMM CC(C)OC(=O)c1ccc(-c2cc(F)ccc2[O-])nn1 ZINC001240693393 780365378 /nfs/dbraw/zinc/36/53/78/780365378.db2.gz PZOVJUILUKPOKW-UHFFFAOYSA-N -1 1 276.267 2.554 20 0 CFADMM CC1(c2cccc(-c3cc(F)ccc3[O-])n2)OCCO1 ZINC001240697087 780369265 /nfs/dbraw/zinc/36/92/65/780369265.db2.gz FAXNOWZBGLERTJ-UHFFFAOYSA-N -1 1 275.279 2.813 20 0 CFADMM COC(=O)c1nc2cc(-c3ccnc(C)c3)ccc2[n-]1 ZINC001240716854 780386336 /nfs/dbraw/zinc/38/63/36/780386336.db2.gz FHUMAOVIOBDQNG-UHFFFAOYSA-N -1 1 267.288 2.720 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccnc(C)c3)cc2[n-]1 ZINC001240716854 780386345 /nfs/dbraw/zinc/38/63/45/780386345.db2.gz FHUMAOVIOBDQNG-UHFFFAOYSA-N -1 1 267.288 2.720 20 0 CFADMM COC(=O)c1nc2cc(-c3cccnc3C)ccc2[n-]1 ZINC001240723620 780393398 /nfs/dbraw/zinc/39/33/98/780393398.db2.gz IEEDVRNPBVYAHV-UHFFFAOYSA-N -1 1 267.288 2.720 20 0 CFADMM COC(=O)c1nc2ccc(-c3cccnc3C)cc2[n-]1 ZINC001240723620 780393405 /nfs/dbraw/zinc/39/34/05/780393405.db2.gz IEEDVRNPBVYAHV-UHFFFAOYSA-N -1 1 267.288 2.720 20 0 CFADMM COc1cc(C(=O)[O-])ccc1-c1cccn2cncc12 ZINC001240736084 780402993 /nfs/dbraw/zinc/40/29/93/780402993.db2.gz JSEFWLATLGRWJK-UHFFFAOYSA-N -1 1 268.272 2.708 20 0 CFADMM COc1cc2[nH]cnc2cc1-c1ccc(C(=O)[O-])c(OC)c1 ZINC001240744020 780409713 /nfs/dbraw/zinc/40/97/13/780409713.db2.gz XVNUXOLJKRLWRB-UHFFFAOYSA-N -1 1 298.298 2.945 20 0 CFADMM COc1cc(-c2cccc3nc[nH]c32)ccc1C(=O)[O-] ZINC001240744124 780410189 /nfs/dbraw/zinc/41/01/89/780410189.db2.gz YZUIODLCMZDMAJ-UHFFFAOYSA-N -1 1 268.272 2.937 20 0 CFADMM CCOC(=O)c1cnoc1[N-]c1ccc(F)c(OC)c1F ZINC001212494410 780415323 /nfs/dbraw/zinc/41/53/23/780415323.db2.gz IMXVPNBYKCNUQO-UHFFFAOYSA-N -1 1 298.245 2.882 20 0 CFADMM Cc1cnc(-c2ccc([O-])c(F)c2)nc1N1CCCC1 ZINC001240783592 780436333 /nfs/dbraw/zinc/43/63/33/780436333.db2.gz QJEYZFNESWLXPF-UHFFFAOYSA-N -1 1 273.311 2.897 20 0 CFADMM CC[C@H](C)n1c(=O)[nH]c(C)c(-c2ccc([O-])c(F)c2)c1=O ZINC001240786507 780440612 /nfs/dbraw/zinc/44/06/12/780440612.db2.gz KYYXVQKSZFDKIX-QMMMGPOBSA-N -1 1 292.310 2.740 20 0 CFADMM CCOC(=O)c1c(C)c(C)nnc1-c1ccc([O-])c(F)c1 ZINC001240786035 780440966 /nfs/dbraw/zinc/44/09/66/780440966.db2.gz IIYINBIERHPMSI-UHFFFAOYSA-N -1 1 290.294 2.782 20 0 CFADMM O=C([O-])Cc1ccc(-c2cc3[nH]ccc3cn2)cc1 ZINC001240971490 780559648 /nfs/dbraw/zinc/55/96/48/780559648.db2.gz BINVGKZFRVRUJH-UHFFFAOYSA-N -1 1 252.273 2.857 20 0 CFADMM Cc1ccc(C(=O)[O-])cc1-c1cc(N(C)C)ccn1 ZINC001240999370 780582679 /nfs/dbraw/zinc/58/26/79/780582679.db2.gz LTEZFUGYVAGTEO-UHFFFAOYSA-N -1 1 256.305 2.821 20 0 CFADMM C[C@@H](C(=O)[N-]OC/C=C\Cl)c1ccc(F)c(F)c1 ZINC001117691931 780595013 /nfs/dbraw/zinc/59/50/13/780595013.db2.gz UOLMRVWFDSGQTP-ZTHSNPKKSA-N -1 1 275.682 2.869 20 0 CFADMM C[C@H]1CC(=O)Nc2ncnc(-c3c(F)cc([O-])cc3F)c21 ZINC001241119275 780647317 /nfs/dbraw/zinc/64/73/17/780647317.db2.gz ZXEDYUXEDINDNZ-LURJTMIESA-N -1 1 291.257 2.573 20 0 CFADMM CC1(c2ccnc(-c3c(F)cc([O-])cc3F)c2)OCCO1 ZINC001241118995 780647412 /nfs/dbraw/zinc/64/74/12/780647412.db2.gz BNVDOVHESYBJEQ-UHFFFAOYSA-N -1 1 293.269 2.952 20 0 CFADMM COc1cc(OC)nc(-c2c(F)cc([O-])cc2F)c1 ZINC001241119018 780647594 /nfs/dbraw/zinc/64/75/94/780647594.db2.gz VLXXNZYSOYHWGG-UHFFFAOYSA-N -1 1 267.231 2.750 20 0 CFADMM COCc1nc(C)cc(-c2c(F)cc([O-])cc2F)n1 ZINC001241120495 780648720 /nfs/dbraw/zinc/64/87/20/780648720.db2.gz XGKCGLAJCRTGMW-UHFFFAOYSA-N -1 1 266.247 2.582 20 0 CFADMM COC(=O)c1cc(OC)c(-c2c(F)cc([O-])cc2F)cn1 ZINC001241120838 780649428 /nfs/dbraw/zinc/64/94/28/780649428.db2.gz OBWHRUJOJSMIOT-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM O=S1(=O)Cc2ccc(-c3c(F)cc([O-])cc3F)cc2C1 ZINC001241121359 780649675 /nfs/dbraw/zinc/64/96/75/780649675.db2.gz HXQKYWLZYJFVSA-UHFFFAOYSA-N -1 1 296.294 2.766 20 0 CFADMM Cc1nc2c(cncc2-c2c(F)cc([O-])cc2F)[nH]1 ZINC001241121148 780649900 /nfs/dbraw/zinc/64/99/00/780649900.db2.gz CEWFCRGEEMJEPU-UHFFFAOYSA-N -1 1 261.231 2.917 20 0 CFADMM O=C1C[C@H](c2cccc(-c3c(F)cc([O-])cc3F)c2)CN1 ZINC001241122045 780650671 /nfs/dbraw/zinc/65/06/71/780650671.db2.gz KACHFJPFOCQFSQ-NSHDSACASA-N -1 1 289.281 2.941 20 0 CFADMM COc1ncc(-c2c(F)cc([O-])cc2F)cc1F ZINC001241121969 780651012 /nfs/dbraw/zinc/65/10/12/780651012.db2.gz GGZWUTLBNVYEIM-UHFFFAOYSA-N -1 1 255.195 2.880 20 0 CFADMM CN1C(=O)Cc2cc(-c3c(F)cc([O-])cc3F)ccc21 ZINC001241121681 780651075 /nfs/dbraw/zinc/65/10/75/780651075.db2.gz BAJCZAYVTYKLHB-UHFFFAOYSA-N -1 1 275.254 2.856 20 0 CFADMM CCOC(=O)Cc1cc(-c2c(F)cc([O-])cc2F)ccn1 ZINC001241121599 780651303 /nfs/dbraw/zinc/65/13/03/780651303.db2.gz NPAHBEWWFXYJOH-UHFFFAOYSA-N -1 1 293.269 2.838 20 0 CFADMM COc1ccc(F)nc1-c1c(F)cc([O-])cc1F ZINC001241124262 780651786 /nfs/dbraw/zinc/65/17/86/780651786.db2.gz DZHALHHCTXVDFU-UHFFFAOYSA-N -1 1 255.195 2.880 20 0 CFADMM Cc1cc(C(=O)N(C)C)ncc1-c1c(F)cc([O-])cc1F ZINC001241125111 780652133 /nfs/dbraw/zinc/65/21/33/780652133.db2.gz RVKRDEBPHPEMPV-UHFFFAOYSA-N -1 1 292.285 2.743 20 0 CFADMM Nc1cn2ccc(-c3c(F)cc([O-])cc3F)cc2n1 ZINC001241122508 780652382 /nfs/dbraw/zinc/65/23/82/780652382.db2.gz QOBONIBQBGYUHL-UHFFFAOYSA-N -1 1 261.231 2.567 20 0 CFADMM Fc1cc(-c2ccc(-c3nnn[n-]3)nc2)ccc1Cl ZINC001241232042 780720157 /nfs/dbraw/zinc/72/01/57/780720157.db2.gz UIKFTNYJJVNPDW-UHFFFAOYSA-N -1 1 275.674 2.721 20 0 CFADMM Fc1cc(-c2ccc(-c3nn[n-]n3)nc2)ccc1Cl ZINC001241232042 780720162 /nfs/dbraw/zinc/72/01/62/780720162.db2.gz UIKFTNYJJVNPDW-UHFFFAOYSA-N -1 1 275.674 2.721 20 0 CFADMM CCOc1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c(F)c1 ZINC001241277200 780751307 /nfs/dbraw/zinc/75/13/07/780751307.db2.gz LNCMTZJXPURWTQ-UHFFFAOYSA-N -1 1 299.301 2.704 20 0 CFADMM [O-]c1ccc(F)c(-c2ncc(OC(F)F)cn2)c1F ZINC001241289085 780758656 /nfs/dbraw/zinc/75/86/56/780758656.db2.gz KDTPIGBFZARYMZ-UHFFFAOYSA-N -1 1 274.173 2.729 20 0 CFADMM COC(=O)c1cc(OC)nc(-c2c(F)ccc([O-])c2F)c1 ZINC001241290443 780760084 /nfs/dbraw/zinc/76/00/84/780760084.db2.gz NELHKUSZKOUDPW-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM CCOC(=O)c1cc(C)nc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291152 780761096 /nfs/dbraw/zinc/76/10/96/780761096.db2.gz GKRMAQIMTZLXBR-UHFFFAOYSA-N -1 1 294.257 2.613 20 0 CFADMM CC(=O)Nc1ccnc(-c2c(F)ccc([O-])c2F)c1 ZINC001241291719 780761629 /nfs/dbraw/zinc/76/16/29/780761629.db2.gz SUJUQWBRQIJKLH-UHFFFAOYSA-N -1 1 264.231 2.691 20 0 CFADMM CCOC(=O)Cc1cccnc1-c1c(F)ccc([O-])c1F ZINC001241291949 780763512 /nfs/dbraw/zinc/76/35/12/780763512.db2.gz ZPSHVUIXDWAVSJ-UHFFFAOYSA-N -1 1 293.269 2.838 20 0 CFADMM O=c1ccc(-c2c(F)ccc([O-])c2F)nn1CC1CCC1 ZINC001241293815 780764241 /nfs/dbraw/zinc/76/42/41/780764241.db2.gz BWPYDKGRZQQUST-UHFFFAOYSA-N -1 1 292.285 2.694 20 0 CFADMM Cc1ccc(CN2CCC(F)(F)CC2)cc1C(=O)[O-] ZINC000701828519 780843824 /nfs/dbraw/zinc/84/38/24/780843824.db2.gz YDHNTFQHUMFULF-UHFFFAOYSA-N -1 1 269.291 2.924 20 0 CFADMM CCOC(=O)c1nc2cc(-c3ccc(N)cc3)ccc2[n-]1 ZINC001241543121 780966838 /nfs/dbraw/zinc/96/68/38/780966838.db2.gz GWRKYHXPTPHQBC-UHFFFAOYSA-N -1 1 281.315 2.989 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3ccc(N)cc3)cc2[n-]1 ZINC001241543121 780966847 /nfs/dbraw/zinc/96/68/47/780966847.db2.gz GWRKYHXPTPHQBC-UHFFFAOYSA-N -1 1 281.315 2.989 20 0 CFADMM Cc1[nH]nc2ccc(-c3cccc(S(=O)(=O)[O-])c3)cc12 ZINC001241670588 781063847 /nfs/dbraw/zinc/06/38/47/781063847.db2.gz LSXCQVTYCUMIHT-UHFFFAOYSA-N -1 1 288.328 2.785 20 0 CFADMM Cc1nc2cccc(-c3cncc(C(=O)[O-])c3)c2[nH]1 ZINC001241803677 781135123 /nfs/dbraw/zinc/13/51/23/781135123.db2.gz WKNZUXGTKUEKNH-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM COc1ccc(-c2ccc3cncn3c2)cc1C(=O)[O-] ZINC001241868324 781159136 /nfs/dbraw/zinc/15/91/36/781159136.db2.gz DUTOBLRANUPMBV-UHFFFAOYSA-N -1 1 268.272 2.708 20 0 CFADMM COc1ccc(-c2cccc3cncn32)cc1C(=O)[O-] ZINC001241875418 781161891 /nfs/dbraw/zinc/16/18/91/781161891.db2.gz XLECJXFUBXNQRI-UHFFFAOYSA-N -1 1 268.272 2.708 20 0 CFADMM C[C@@]1(C(F)(F)F)CCN(Cc2occc2C(=O)[O-])C1 ZINC000709073534 781289369 /nfs/dbraw/zinc/28/93/69/781289369.db2.gz GTOYSIZIHDTTTG-LLVKDONJSA-N -1 1 277.242 2.752 20 0 CFADMM NC(=O)c1cccnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242126814 781294364 /nfs/dbraw/zinc/29/43/64/781294364.db2.gz RIEQBSPJDFGBKU-UHFFFAOYSA-N -1 1 282.221 2.572 20 0 CFADMM [O-]c1ccc(C(F)(F)F)cc1-c1ccc2nncn2n1 ZINC001242141505 781298033 /nfs/dbraw/zinc/29/80/33/781298033.db2.gz PBELEJQOGUUZNN-UHFFFAOYSA-N -1 1 280.209 2.516 20 0 CFADMM COc1nccnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242147636 781301063 /nfs/dbraw/zinc/30/10/63/781301063.db2.gz CAIOOTPLVUSLEF-UHFFFAOYSA-N -1 1 270.210 2.877 20 0 CFADMM Cn1cnc2ncc(-c3cc(C(F)(F)F)ccc3[O-])nc21 ZINC001242147548 781301357 /nfs/dbraw/zinc/30/13/57/781301357.db2.gz ABMNSWUEMUQYHN-UHFFFAOYSA-N -1 1 294.236 2.755 20 0 CFADMM CNc1ccnc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151204 781302843 /nfs/dbraw/zinc/30/28/43/781302843.db2.gz HMQILOVHGNADDR-UHFFFAOYSA-N -1 1 269.226 2.910 20 0 CFADMM NC(=O)c1cccc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242152559 781303850 /nfs/dbraw/zinc/30/38/50/781303850.db2.gz GHUWFIYAUCVIHT-UHFFFAOYSA-N -1 1 282.221 2.572 20 0 CFADMM O=c1c(-c2ccc(F)cc2[O-])cccn1CC(F)(F)F ZINC001242219285 781334786 /nfs/dbraw/zinc/33/47/86/781334786.db2.gz AUVLSRUEHSWXEZ-UHFFFAOYSA-N -1 1 287.212 2.922 20 0 CFADMM COC(=O)c1nc2ccc(-c3cccc(C)c3F)nc2[n-]1 ZINC001242238991 781340434 /nfs/dbraw/zinc/34/04/34/781340434.db2.gz QTCRPQPBEXTFBU-UHFFFAOYSA-N -1 1 285.278 2.859 20 0 CFADMM CC[C@@H](C)n1c(=O)[nH]c(C)c(-c2cccc(F)c2[O-])c1=O ZINC001242352055 781424946 /nfs/dbraw/zinc/42/49/46/781424946.db2.gz JPTXNZFYDRYDFF-MRVPVSSYSA-N -1 1 292.310 2.740 20 0 CFADMM COC(=O)c1ccc(OC)c(-c2cccc(F)c2[O-])c1 ZINC001242352015 781425501 /nfs/dbraw/zinc/42/55/01/781425501.db2.gz HVDNGOCNOORRDF-UHFFFAOYSA-N -1 1 276.263 2.994 20 0 CFADMM [O-]c1c(Cl)cccc1-c1ccccc1-c1nn[nH]n1 ZINC001242365117 781437240 /nfs/dbraw/zinc/43/72/40/781437240.db2.gz JYTJJUWYIUHEJL-UHFFFAOYSA-N -1 1 272.695 2.893 20 0 CFADMM O=c1occ2[nH]cc(-c3cccc(Cl)c3[O-])cc1-2 ZINC001242368000 781440225 /nfs/dbraw/zinc/44/02/25/781440225.db2.gz SMCNYVDIGZCLRF-UHFFFAOYSA-N -1 1 261.664 2.778 20 0 CFADMM COc1ccc(C(N)=O)c(-c2cccc(Cl)c2[O-])c1 ZINC001242368234 781440466 /nfs/dbraw/zinc/44/04/66/781440466.db2.gz ZPWYQXUGNHQGJU-UHFFFAOYSA-N -1 1 277.707 2.820 20 0 CFADMM O=C([O-])c1cccc(-c2cccc3cncn32)c1F ZINC001242379778 781449471 /nfs/dbraw/zinc/44/94/71/781449471.db2.gz MCSYTKQZKNCQNW-UHFFFAOYSA-N -1 1 256.236 2.839 20 0 CFADMM CCOc1cnc(-c2cccc([O-])c2Cl)nc1 ZINC001242797832 781756446 /nfs/dbraw/zinc/75/64/46/781756446.db2.gz NXAHTQVZTLDBAR-UHFFFAOYSA-N -1 1 250.685 2.901 20 0 CFADMM COC(=O)c1cc(OC)ncc1-c1cccc([O-])c1Cl ZINC001242801134 781765548 /nfs/dbraw/zinc/76/55/48/781765548.db2.gz TUEZYSFAWHEQRV-UHFFFAOYSA-N -1 1 293.706 2.903 20 0 CFADMM NC(=S)c1ccnc(-c2cccc([O-])c2Cl)c1 ZINC001242800602 781765781 /nfs/dbraw/zinc/76/57/81/781765781.db2.gz IQPRCDSPHMGJDU-UHFFFAOYSA-N -1 1 264.737 2.742 20 0 CFADMM [O-]c1cccc(-c2ccc(N3CCOCC3)cn2)c1Cl ZINC001242799964 781765919 /nfs/dbraw/zinc/76/59/19/781765919.db2.gz AOQFKTYXLJUAPH-UHFFFAOYSA-N -1 1 290.750 2.944 20 0 CFADMM COc1ncnc(OC)c1-c1cccc([O-])c1Cl ZINC001242800391 781766254 /nfs/dbraw/zinc/76/62/54/781766254.db2.gz HLROXDZWLQPACQ-UHFFFAOYSA-N -1 1 266.684 2.520 20 0 CFADMM [O-]c1cccc(-c2cc3c(nn2)CCOC3)c1Cl ZINC001242801214 781766292 /nfs/dbraw/zinc/76/62/92/781766292.db2.gz OMTCBSDBIOAODD-UHFFFAOYSA-N -1 1 262.696 2.575 20 0 CFADMM Cc1cc(C(N)=O)cc(-c2cccc([O-])c2Cl)n1 ZINC001242799336 781766320 /nfs/dbraw/zinc/76/63/20/781766320.db2.gz GCBQFXSDQBVBPQ-UHFFFAOYSA-N -1 1 262.696 2.515 20 0 CFADMM C[C@@H]1CCc2[n-]n([C@@H]3CCCSC3)c(=O)c2C1 ZINC001119378918 781780935 /nfs/dbraw/zinc/78/09/35/781780935.db2.gz PORCYAWPMKVRFO-MXWKQRLJSA-N -1 1 252.383 2.516 20 0 CFADMM C[C@@H]1CCc2[n-]n([C@H]3CCCSC3)c(=O)c2C1 ZINC001119378919 781782188 /nfs/dbraw/zinc/78/21/88/781782188.db2.gz PORCYAWPMKVRFO-OUAUKWLOSA-N -1 1 252.383 2.516 20 0 CFADMM CC(C)(C)c1nc(C(=O)[N-]c2c(F)ccnc2F)co1 ZINC001119451501 781806591 /nfs/dbraw/zinc/80/65/91/781806591.db2.gz AALHOFHQSCKSJD-UHFFFAOYSA-N -1 1 281.262 2.898 20 0 CFADMM O=C([O-])c1ccccc1-c1nc[nH]c2nc(=S)sc1-2 ZINC001242879122 781819335 /nfs/dbraw/zinc/81/93/35/781819335.db2.gz OZHINRDXKMHEEK-UHFFFAOYSA-N -1 1 289.341 2.740 20 0 CFADMM CC(C)CONC(=O)c1cc2ccccc2cc1[O-] ZINC000124524541 187141533 /nfs/dbraw/zinc/14/15/33/187141533.db2.gz SSYZISNLNLVSTQ-UHFFFAOYSA-N -1 1 259.305 2.863 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000068074814 346834278 /nfs/dbraw/zinc/83/42/78/346834278.db2.gz XQFWJZGLUGNRRJ-UHFFFAOYSA-N -1 1 289.356 2.826 20 0 CFADMM COc1ccc2nc(-c3ccc(OC)c(C)c3)[n-]c(=O)c2c1 ZINC000069579298 346896721 /nfs/dbraw/zinc/89/67/21/346896721.db2.gz HGFUSGHRWPQQSY-UHFFFAOYSA-N -1 1 296.326 2.916 20 0 CFADMM Cc1oc(C(=O)[O-])cc1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000070383945 346909919 /nfs/dbraw/zinc/90/99/19/346909919.db2.gz APHLILBIDVQTDD-DTORHVGOSA-N -1 1 269.366 2.612 20 0 CFADMM Cc1[nH]ccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129583396 539465284 /nfs/dbraw/zinc/46/52/84/539465284.db2.gz UIRGBDDWXXFOKL-UHFFFAOYSA-N -1 1 250.685 2.934 20 0 CFADMM O=C(CCn1cnc2ccccc21)Nc1c([O-])cccc1F ZINC000089541382 539468881 /nfs/dbraw/zinc/46/88/81/539468881.db2.gz ZDUQWXTUHIXDLM-UHFFFAOYSA-N -1 1 299.305 2.910 20 0 CFADMM C[C@H](CNc1ccccc1)NC(=O)c1c([O-])cccc1F ZINC000164787548 232259789 /nfs/dbraw/zinc/25/97/89/232259789.db2.gz YBYKDKNCOMAOQZ-LLVKDONJSA-N -1 1 288.322 2.762 20 0 CFADMM O=C([N-]c1nnc(C2CC2)s1)c1ccc(Cl)o1 ZINC000021293670 346246618 /nfs/dbraw/zinc/24/66/18/346246618.db2.gz RNURUTJLOWFZEF-UHFFFAOYSA-N -1 1 269.713 2.914 20 0 CFADMM CCc1nc(C)c(CSc2ncc(C)c(=O)[n-]2)o1 ZINC000563438512 290151097 /nfs/dbraw/zinc/15/10/97/290151097.db2.gz HCADIBRVFAVYLP-UHFFFAOYSA-N -1 1 265.338 2.642 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1ccncc1Cl ZINC000080765046 347379247 /nfs/dbraw/zinc/37/92/47/347379247.db2.gz VJOGAXWNYFJQFP-UHFFFAOYSA-N -1 1 266.659 2.832 20 0 CFADMM Cc1ncoc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000083083391 347448118 /nfs/dbraw/zinc/44/81/18/347448118.db2.gz LRSUZCIUMKCXRA-UHFFFAOYSA-N -1 1 292.345 2.815 20 0 CFADMM O=C([O-])C[C@@H]1CSCCN1Cc1ccccc1Cl ZINC000091131583 347572131 /nfs/dbraw/zinc/57/21/31/347572131.db2.gz DAPUHMJHWCQMBS-LLVKDONJSA-N -1 1 285.796 2.732 20 0 CFADMM COc1ccnc2c(NC(=O)c3cncc([O-])c3)cccc12 ZINC000092568604 347632392 /nfs/dbraw/zinc/63/23/92/347632392.db2.gz IARUISUUZBRLEC-UHFFFAOYSA-N -1 1 295.298 2.596 20 0 CFADMM C[C@@]1(CO)CCC[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000092602342 347633890 /nfs/dbraw/zinc/63/38/90/347633890.db2.gz CZVQLWYWYVNUMY-QAPCUYQASA-N -1 1 299.370 2.826 20 0 CFADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1cc(-c2cccs2)on1 ZINC000092925588 347651865 /nfs/dbraw/zinc/65/18/65/347651865.db2.gz KLBJSDLLIVWJPG-ONGXEEELSA-N -1 1 292.360 2.698 20 0 CFADMM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])cn2)cc1 ZINC000094762126 347696179 /nfs/dbraw/zinc/69/61/79/347696179.db2.gz NEWAXBVXMCKLGH-UHFFFAOYSA-N -1 1 270.332 2.720 20 0 CFADMM Cc1cccc(CN(C)Cc2ccc(C(=O)[O-])cn2)c1 ZINC000094762310 347696364 /nfs/dbraw/zinc/69/63/64/347696364.db2.gz BISDQJKSLXTTIL-UHFFFAOYSA-N -1 1 270.332 2.720 20 0 CFADMM Cc1nc(SCC(=O)c2ccccc2F)[n-]c(=O)c1C ZINC000100897899 347714124 /nfs/dbraw/zinc/71/41/24/347714124.db2.gz JOFHQPNRNYPHIB-UHFFFAOYSA-N -1 1 292.335 2.913 20 0 CFADMM O=c1nc(C[N@@H+](C2CC2)C2CCCC2)[n-]c2ccsc21 ZINC000103466460 347723410 /nfs/dbraw/zinc/72/34/10/347723410.db2.gz XTTNBUBTISIZGT-UHFFFAOYSA-N -1 1 289.404 2.892 20 0 CFADMM Cc1ccc(CCNC(=O)c2ccc(Cl)cc2[O-])cn1 ZINC000111645305 347755153 /nfs/dbraw/zinc/75/51/53/347755153.db2.gz IIDDPBZFGNLPIQ-UHFFFAOYSA-N -1 1 290.750 2.722 20 0 CFADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCCC[C@@H]1C ZINC000125778635 347830000 /nfs/dbraw/zinc/83/00/00/347830000.db2.gz LQGYRLSVVCWIJM-RYUDHWBXSA-N -1 1 262.353 2.828 20 0 CFADMM Cc1cccnc1CN1CCc2c(cccc2C(=O)[O-])C1 ZINC000124541747 347825195 /nfs/dbraw/zinc/82/51/95/347825195.db2.gz IDXBESBFKSBWQM-UHFFFAOYSA-N -1 1 282.343 2.647 20 0 CFADMM O=C(Nc1cccc2ccncc21)c1cncc([O-])c1 ZINC000131543595 347879470 /nfs/dbraw/zinc/87/94/70/347879470.db2.gz BOXBZMOMIKRZMO-UHFFFAOYSA-N -1 1 265.272 2.588 20 0 CFADMM O=C([O-])[C@@H]1CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000086789725 179335009 /nfs/dbraw/zinc/33/50/09/179335009.db2.gz WZIDRAXUPWFDQZ-SECBINFHSA-N -1 1 274.147 2.900 20 0 CFADMM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000172665913 348101157 /nfs/dbraw/zinc/10/11/57/348101157.db2.gz SROMJXHMIWAAMI-VIFPVBQESA-N -1 1 277.336 2.535 20 0 CFADMM CC(C)[C@H](C)C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000172665915 348101304 /nfs/dbraw/zinc/10/13/04/348101304.db2.gz SROMJXHMIWAAMI-SECBINFHSA-N -1 1 277.336 2.535 20 0 CFADMM COc1ccc2cc(NC(=O)c3cncc([O-])c3)ccc2n1 ZINC000171869551 348082915 /nfs/dbraw/zinc/08/29/15/348082915.db2.gz VUXHORLLIRUDTB-UHFFFAOYSA-N -1 1 295.298 2.596 20 0 CFADMM C[C@@H]1CN(Cc2cc(F)c(F)c(F)c2)CC[C@@H]1C(=O)[O-] ZINC000380308516 348523443 /nfs/dbraw/zinc/52/34/43/348523443.db2.gz UKDRXEJAEYQKCM-SCZZXKLOSA-N -1 1 287.281 2.647 20 0 CFADMM O=C([O-])C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000385666966 348534539 /nfs/dbraw/zinc/53/45/39/348534539.db2.gz HZQJFVVFOZIQSX-NSHDSACASA-N -1 1 296.298 2.563 20 0 CFADMM CCC[C@@H](NC(=O)C[C@H](C)CC(C)(C)C)c1nn[n-]n1 ZINC000675144121 539652766 /nfs/dbraw/zinc/65/27/66/539652766.db2.gz HIXZHDFKTITAFN-WDEREUQCSA-N -1 1 281.404 2.620 20 0 CFADMM [O-]c1ccc(-c2noc(CCc3cccnc3)n2)c(F)c1 ZINC000584759313 348712557 /nfs/dbraw/zinc/71/25/57/348712557.db2.gz OBSAOUVWQSKTEY-UHFFFAOYSA-N -1 1 285.278 2.762 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](C)SCc1ccccc1 ZINC000590399247 348898958 /nfs/dbraw/zinc/89/89/58/348898958.db2.gz XQRJXPOZMVGHHX-SNVBAGLBSA-N -1 1 291.376 2.684 20 0 CFADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C1CCC1 ZINC000133178884 539715860 /nfs/dbraw/zinc/71/58/60/539715860.db2.gz OUCHEGYQJFTKFE-MRVPVSSYSA-N -1 1 291.775 2.946 20 0 CFADMM Cc1cccc(NC(=O)c2cc(F)ccc2[O-])c1O ZINC000080035913 539752028 /nfs/dbraw/zinc/75/20/28/539752028.db2.gz RZZCYMRHVUOCCY-UHFFFAOYSA-N -1 1 261.252 2.798 20 0 CFADMM CSCC1(CCNC(=O)c2cc(F)ccc2[O-])CC1 ZINC000597986836 350173390 /nfs/dbraw/zinc/17/33/90/350173390.db2.gz PMPQKVLDNCQPHE-UHFFFAOYSA-N -1 1 283.368 2.794 20 0 CFADMM CCC[C@H]1SCCN1C(=O)c1cc(F)ccc1[O-] ZINC000271298650 191058834 /nfs/dbraw/zinc/05/88/34/191058834.db2.gz QJUWLLYLLBWYNS-GFCCVEGCSA-N -1 1 269.341 2.847 20 0 CFADMM Cc1cc(Cl)cc([N-]S(=O)(=O)CCC2CC2)c1O ZINC000271308829 191065409 /nfs/dbraw/zinc/06/54/09/191065409.db2.gz XZDXWQXLSMGWHY-UHFFFAOYSA-N -1 1 289.784 2.896 20 0 CFADMM CN(CC1CCOCC1)C(=O)c1ccc(Cl)cc1[O-] ZINC000107066039 186159183 /nfs/dbraw/zinc/15/91/83/186159183.db2.gz URFILAGWXDLXMS-UHFFFAOYSA-N -1 1 283.755 2.544 20 0 CFADMM O=C(NCc1ccc(F)c(Cl)c1)c1cncc([O-])c1 ZINC000109041339 186240911 /nfs/dbraw/zinc/24/09/11/186240911.db2.gz GTTBGQMVWBBJEF-UHFFFAOYSA-N -1 1 280.686 2.510 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1c1ccccc1 ZINC000109042188 186241494 /nfs/dbraw/zinc/24/14/94/186241494.db2.gz QTJZWFQAYGAJRO-OAHLLOKOSA-N -1 1 268.316 2.765 20 0 CFADMM CCc1cc(C(=O)Nc2ccncc2[O-])sc1C ZINC000109889237 186277288 /nfs/dbraw/zinc/27/72/88/186277288.db2.gz DWQNPONOWYFMJW-UHFFFAOYSA-N -1 1 262.334 2.972 20 0 CFADMM Cc1cc2ccccc2n1CC(=O)Nc1ccncc1[O-] ZINC000109890600 186277790 /nfs/dbraw/zinc/27/77/90/186277790.db2.gz AURXPHPVRLHVTD-UHFFFAOYSA-N -1 1 281.315 2.689 20 0 CFADMM CSC1(CNC(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000601534645 350737360 /nfs/dbraw/zinc/73/73/60/350737360.db2.gz GPWKJKPGKFRXGW-UHFFFAOYSA-N -1 1 285.796 2.600 20 0 CFADMM CCCc1c(C)[n-]n(-c2ccc(C(=O)OC)cc2F)c1=O ZINC000601949093 350816224 /nfs/dbraw/zinc/81/62/24/350816224.db2.gz QCJKWVZWGIYKHG-LLVKDONJSA-N -1 1 292.310 2.751 20 0 CFADMM Cc1ncsc1C(=O)Nc1c([O-])cccc1F ZINC000605440391 351246497 /nfs/dbraw/zinc/24/64/97/351246497.db2.gz QYNHCHRUDAFILC-UHFFFAOYSA-N -1 1 252.270 2.549 20 0 CFADMM O=C(Cc1ccccc1F)Nc1c([O-])cccc1F ZINC000605440106 351246961 /nfs/dbraw/zinc/24/69/61/351246961.db2.gz KMXQNQQRPCKYNN-UHFFFAOYSA-N -1 1 263.243 2.852 20 0 CFADMM CCc1cc([N-]C(=O)c2cc(-c3ccccc3)no2)no1 ZINC000606889877 351299285 /nfs/dbraw/zinc/29/92/85/351299285.db2.gz YTNMOWBSGFGBJU-UHFFFAOYSA-N -1 1 283.287 2.566 20 0 CFADMM COc1cccc(S(=O)(=O)[N-]c2cccc(F)c2C)c1 ZINC000608755439 351468870 /nfs/dbraw/zinc/46/88/70/351468870.db2.gz HBDJRGATXQFRCH-UHFFFAOYSA-N -1 1 295.335 2.944 20 0 CFADMM COC(=O)c1cc(C(=O)[N-]c2ccc(Cl)cc2F)on1 ZINC000611489199 351696390 /nfs/dbraw/zinc/69/63/90/351696390.db2.gz FRHJJTXIIBXIAL-UHFFFAOYSA-N -1 1 298.657 2.506 20 0 CFADMM C[C@H]1CC[C@H](C)N1C(=O)c1ncc2ccccc2c1[O-] ZINC000612311066 351800822 /nfs/dbraw/zinc/80/08/22/351800822.db2.gz POEIOBUTBUDXPK-QWRGUYRKSA-N -1 1 270.332 2.953 20 0 CFADMM C[C@H]1C[C@@H](CO)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000291914956 198104490 /nfs/dbraw/zinc/10/44/90/198104490.db2.gz NEZMONVXHKRNBE-STQMWFEESA-N -1 1 299.370 2.778 20 0 CFADMM CC1=CCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000612996877 351886067 /nfs/dbraw/zinc/88/60/67/351886067.db2.gz LJZFMAXAENVBRO-UHFFFAOYSA-N -1 1 268.316 2.733 20 0 CFADMM CCOc1cc(C(=O)NCCSC)cc(Cl)c1[O-] ZINC000613012868 351888946 /nfs/dbraw/zinc/88/89/46/351888946.db2.gz IVSHTYPEQCRKEK-UHFFFAOYSA-N -1 1 289.784 2.537 20 0 CFADMM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000131020897 187536203 /nfs/dbraw/zinc/53/62/03/187536203.db2.gz WDGAIOSLQTYHFB-UHFFFAOYSA-N -1 1 299.783 2.789 20 0 CFADMM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000613025685 351890840 /nfs/dbraw/zinc/89/08/40/351890840.db2.gz BMSYDKURPZWYEW-LDYMZIIASA-N -1 1 267.300 2.673 20 0 CFADMM CSc1ccc([O-])c(C(=O)N2CCCCCO2)c1 ZINC000613880408 352021142 /nfs/dbraw/zinc/02/11/42/352021142.db2.gz HOAVMQGEKWSLIB-UHFFFAOYSA-N -1 1 267.350 2.672 20 0 CFADMM O=C(C[C@H]1C=CCCC1)Nc1n[nH]c2cc(O)ccc21 ZINC000615133658 352157765 /nfs/dbraw/zinc/15/77/65/352157765.db2.gz LEKTXGXAYWMXFY-JTQLQIEISA-N -1 1 271.320 2.953 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC000615221567 352168756 /nfs/dbraw/zinc/16/87/56/352168756.db2.gz MIGCBTGPMPIURY-VIFPVBQESA-N -1 1 298.346 2.658 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(CC(C)C)cc1 ZINC000615227942 352170543 /nfs/dbraw/zinc/17/05/43/352170543.db2.gz SWDBIDVWHRWGQT-UHFFFAOYSA-N -1 1 273.336 2.875 20 0 CFADMM CC[C@H](NC(=O)c1ncc2ccccc2c1[O-])C(F)F ZINC000615460776 352195605 /nfs/dbraw/zinc/19/56/05/352195605.db2.gz JKZOUSMVYCDEOY-JTQLQIEISA-N -1 1 280.274 2.714 20 0 CFADMM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cncc([O-])c1 ZINC000271477971 191162924 /nfs/dbraw/zinc/16/29/24/191162924.db2.gz ZZWUHTCRYVZFCU-RISCZKNCSA-N -1 1 262.353 2.828 20 0 CFADMM Cc1nnc([C@H](C)NC(=O)c2cc(Cl)ccc2[O-])s1 ZINC000273497005 192174552 /nfs/dbraw/zinc/17/45/52/192174552.db2.gz ACKBOUDYFXDDOH-LURJTMIESA-N -1 1 297.767 2.697 20 0 CFADMM C[C@@H]1CCC(C)(C)N1C(=O)c1cc(F)ccc1[O-] ZINC000616165496 352294540 /nfs/dbraw/zinc/29/45/40/352294540.db2.gz RCWFTNLFWYPXRN-SECBINFHSA-N -1 1 251.301 2.934 20 0 CFADMM O=C(c1cc(Br)ccc1[O-])N1CC=CCC1 ZINC000226561804 539864190 /nfs/dbraw/zinc/86/41/90/539864190.db2.gz LQZSXILCLBDNHX-UHFFFAOYSA-N -1 1 282.137 2.557 20 0 CFADMM O=C(NCCC1CSC1)c1cc(Cl)ccc1[O-] ZINC000616403380 352343184 /nfs/dbraw/zinc/34/31/84/352343184.db2.gz ODRINCBYUNATFO-UHFFFAOYSA-N -1 1 271.769 2.529 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H](CCF)C1 ZINC000618696050 352863405 /nfs/dbraw/zinc/86/34/05/352863405.db2.gz HXVSNYFRXNVXCC-SNVBAGLBSA-N -1 1 269.291 2.743 20 0 CFADMM C[C@@]1(CCNC(=O)c2ccc([O-])cc2F)CC1(F)F ZINC000618634534 352847041 /nfs/dbraw/zinc/84/70/41/352847041.db2.gz QKBABGOOBUDBEH-GFCCVEGCSA-N -1 1 273.254 2.697 20 0 CFADMM O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1cc2ccccc2cc1[O-] ZINC000619088527 352949998 /nfs/dbraw/zinc/94/99/98/352949998.db2.gz IPQYJCLILCQIDU-HZPDHXFCSA-N -1 1 297.354 2.579 20 0 CFADMM CCOc1cc(C(=O)N2CC[C@@H]3C[C@@H]3C2)cc(Cl)c1[O-] ZINC000619344635 352997504 /nfs/dbraw/zinc/99/75/04/352997504.db2.gz NMEDMNURIFRPLY-MWLCHTKSSA-N -1 1 295.766 2.926 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H]2C[C@H]2C1 ZINC000619348367 352998723 /nfs/dbraw/zinc/99/87/23/352998723.db2.gz NDWIOBDPGLNFBO-IUCAKERBSA-N -1 1 251.713 2.528 20 0 CFADMM O=C(C[C@@H](O)c1ccc(Cl)cc1)[N-]OC/C=C/Cl ZINC000292256536 198220140 /nfs/dbraw/zinc/22/01/40/198220140.db2.gz VELSACOHZGXKNC-QNPGQNDZSA-N -1 1 290.146 2.564 20 0 CFADMM CCCc1nnc([N-]C(=O)c2cc(C(C)C)on2)s1 ZINC000152560456 188027839 /nfs/dbraw/zinc/02/78/39/188027839.db2.gz HFPKINRNMKQPEP-UHFFFAOYSA-N -1 1 280.353 2.854 20 0 CFADMM O=C(c1ncccc1[O-])N1CCC[C@H]1c1cccc(F)c1 ZINC000153628416 188093804 /nfs/dbraw/zinc/09/38/04/188093804.db2.gz LRASKPRYCSJCIR-ZDUSSCGKSA-N -1 1 286.306 2.904 20 0 CFADMM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ncccc2[O-])s1 ZINC000153779981 188103326 /nfs/dbraw/zinc/10/33/26/188103326.db2.gz HNKSQRPVAPXCHG-VIFPVBQESA-N -1 1 291.376 2.694 20 0 CFADMM O=C(c1ncccc1[O-])N(Cc1ccc(O)cc1)CC1CC1 ZINC000154010637 188117504 /nfs/dbraw/zinc/11/75/04/188117504.db2.gz CCEZRWIVJWYGLS-UHFFFAOYSA-N -1 1 298.342 2.545 20 0 CFADMM CC(C)(C)C(F)(F)CNC(=O)c1ccc([O-])c(F)c1 ZINC000620614711 353201221 /nfs/dbraw/zinc/20/12/21/353201221.db2.gz YWYYDFTZFGWLKV-UHFFFAOYSA-N -1 1 275.270 2.943 20 0 CFADMM CCSCC[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000154945460 188172170 /nfs/dbraw/zinc/17/21/70/188172170.db2.gz NZASQOIIWFLPND-VIFPVBQESA-N -1 1 271.357 2.793 20 0 CFADMM CCc1noc(CC)c1CNC(=O)c1ccc([O-])cc1F ZINC000154980041 188174665 /nfs/dbraw/zinc/17/46/65/188174665.db2.gz BCKMVYZNMSHKJT-UHFFFAOYSA-N -1 1 292.310 2.574 20 0 CFADMM O=C(Nc1nc(Br)ccc1[O-])C1CCCC1 ZINC000156352242 188257699 /nfs/dbraw/zinc/25/76/99/188257699.db2.gz HNIAOTYARHQLFH-UHFFFAOYSA-N -1 1 285.141 2.678 20 0 CFADMM CO[C@H]1CCC[C@@H]1Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000292739928 198395415 /nfs/dbraw/zinc/39/54/15/198395415.db2.gz UPXGNEQLWMPQSL-YUMQZZPRSA-N -1 1 276.308 2.779 20 0 CFADMM COC(=O)c1cnc(SCOCCC(C)(C)C)[n-]1 ZINC000292742149 198395953 /nfs/dbraw/zinc/39/59/53/198395953.db2.gz UWAQCIQMPJRSMG-UHFFFAOYSA-N -1 1 272.370 2.699 20 0 CFADMM COC(=O)c1c[n-]c(SCOCCC(C)(C)C)n1 ZINC000292742149 198395954 /nfs/dbraw/zinc/39/59/54/198395954.db2.gz UWAQCIQMPJRSMG-UHFFFAOYSA-N -1 1 272.370 2.699 20 0 CFADMM CC(C)[C@H]1CCN1C(=O)c1c(F)ccc([O-])c1F ZINC000622485250 353527174 /nfs/dbraw/zinc/52/71/74/353527174.db2.gz ILXKXSIZDSBQPW-SECBINFHSA-N -1 1 255.264 2.541 20 0 CFADMM CC1(C)CCC[C@H](NC(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000622545304 353529304 /nfs/dbraw/zinc/52/93/04/353529304.db2.gz JEPRFWNQIUONDW-NSHDSACASA-N -1 1 293.436 2.838 20 0 CFADMM CCn1ccc(CNC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000622701918 353534839 /nfs/dbraw/zinc/53/48/39/353534839.db2.gz BFTAWELZKBRQCX-UHFFFAOYSA-N -1 1 295.342 2.692 20 0 CFADMM O=C(N[C@H](CO)CC1CCCCC1)c1cc(F)ccc1[O-] ZINC000622722651 353535714 /nfs/dbraw/zinc/53/57/14/353535714.db2.gz KYPQGWYYMDKEQT-ZDUSSCGKSA-N -1 1 295.354 2.592 20 0 CFADMM O=C(N[C@@H](C(F)F)C1CCCCC1)c1cncc([O-])c1 ZINC000623046052 353580628 /nfs/dbraw/zinc/58/06/28/353580628.db2.gz HYNQILZHDDSOTJ-GFCCVEGCSA-N -1 1 284.306 2.731 20 0 CFADMM C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625261364 354007150 /nfs/dbraw/zinc/00/71/50/354007150.db2.gz JUKRYKAEPKAOKQ-WDEREUQCSA-N -1 1 269.772 2.638 20 0 CFADMM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@H](C(=O)[O-])C1 ZINC000164641810 188625613 /nfs/dbraw/zinc/62/56/13/188625613.db2.gz IIHMQTXAHWZOOG-MNOVXSKESA-N -1 1 280.368 2.830 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])C[C@H](C)C1(F)F ZINC000628396578 354574745 /nfs/dbraw/zinc/57/47/45/354574745.db2.gz LCKVUVOCPVFJTQ-DTORHVGOSA-N -1 1 287.281 2.895 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000628651306 354645053 /nfs/dbraw/zinc/64/50/53/354645053.db2.gz OLPGQPFLOCYFJB-MNOVXSKESA-N -1 1 281.352 2.641 20 0 CFADMM CC1(C)CCC(C)(C)N(C(=O)c2ncccc2[O-])C1 ZINC000628533186 354621328 /nfs/dbraw/zinc/62/13/28/354621328.db2.gz RIYACVGFOCXQBY-UHFFFAOYSA-N -1 1 262.353 2.828 20 0 CFADMM CC1(C)CCC(C)(C)N(C(=O)c2cccc3nn[nH]c32)C1 ZINC000628533311 354621444 /nfs/dbraw/zinc/62/14/44/354621444.db2.gz XGQZJTQEJOFGOF-UHFFFAOYSA-N -1 1 286.379 2.999 20 0 CFADMM C[C@]1(CNC(=O)c2c(F)ccc([O-])c2F)C[C@H]2C[C@H]2C1 ZINC000629046239 354732346 /nfs/dbraw/zinc/73/23/46/354732346.db2.gz HFRUFNHDQZKUEB-ZZCKJEPUSA-N -1 1 281.302 2.836 20 0 CFADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCCCS1 ZINC000628959809 354707006 /nfs/dbraw/zinc/70/70/06/354707006.db2.gz HBECVVQLEQWAJE-JTQLQIEISA-N -1 1 255.314 2.756 20 0 CFADMM C[C@@H](C(=O)Nc1cccc(F)c1[O-])C(F)(F)F ZINC000628960463 354707686 /nfs/dbraw/zinc/70/76/86/354707686.db2.gz IYPXVEVSEZXEAY-YFKPBYRVSA-N -1 1 251.179 2.668 20 0 CFADMM CC1(C)CCC[C@](O)(C(=O)Nc2cccc(F)c2[O-])C1 ZINC000628960710 354707746 /nfs/dbraw/zinc/70/77/46/354707746.db2.gz XDRQDPBKGAAENC-OAHLLOKOSA-N -1 1 281.327 2.801 20 0 CFADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@H]1CC=CCC1 ZINC000629371595 354791085 /nfs/dbraw/zinc/79/10/85/354791085.db2.gz ATLQUHCMEQKWFB-LBPRGKRZSA-N -1 1 283.331 2.873 20 0 CFADMM CCO[C@H](CSc1nc(C)c(C)c(=O)[n-]1)C1CC1 ZINC000629168149 354763322 /nfs/dbraw/zinc/76/33/22/354763322.db2.gz BTXPCQZRSKNMKY-LLVKDONJSA-N -1 1 268.382 2.706 20 0 CFADMM Cc1nc(SCCCc2cnoc2)[n-]c(=O)c1C ZINC000629170197 354764128 /nfs/dbraw/zinc/76/41/28/354764128.db2.gz RMWUGFPPEUYHPK-UHFFFAOYSA-N -1 1 265.338 2.512 20 0 CFADMM CCc1nc(SCCCc2cnoc2)[n-]c(=O)c1C ZINC000629183729 354767225 /nfs/dbraw/zinc/76/72/25/354767225.db2.gz DWGXDJFOKVGDRK-UHFFFAOYSA-N -1 1 279.365 2.766 20 0 CFADMM COc1cccc2c1CN(CCCCCC(=O)[O-])C2 ZINC000629373427 354791897 /nfs/dbraw/zinc/79/18/97/354791897.db2.gz MBAMFNIWFAPZAV-UHFFFAOYSA-N -1 1 263.337 2.656 20 0 CFADMM CCn1nc(C)cc1NC(=O)c1cc(SC)ccc1[O-] ZINC000629253627 354777091 /nfs/dbraw/zinc/77/70/91/354777091.db2.gz ZZLUGYHZRZURQQ-UHFFFAOYSA-N -1 1 291.376 2.891 20 0 CFADMM CC[C@H](C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629373521 354792073 /nfs/dbraw/zinc/79/20/73/354792073.db2.gz JGMILTWOOVTYGW-JTQLQIEISA-N -1 1 259.309 2.563 20 0 CFADMM Cc1oc(CN2CCCC(F)(F)CC2)cc1C(=O)[O-] ZINC000629368769 354790184 /nfs/dbraw/zinc/79/01/84/354790184.db2.gz UEXPBSYMVUIHBJ-UHFFFAOYSA-N -1 1 273.279 2.907 20 0 CFADMM CC(C)CCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629374774 354793040 /nfs/dbraw/zinc/79/30/40/354793040.db2.gz ZOQSDXYULHKNCV-UHFFFAOYSA-N -1 1 273.336 2.953 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000629761805 354924658 /nfs/dbraw/zinc/92/46/58/354924658.db2.gz JSRBHGRSTQYEKB-APHBMKBZSA-N -1 1 297.354 2.531 20 0 CFADMM NC(=O)c1ccc(NCc2cccc([O-])c2Cl)cc1F ZINC000630056743 354993620 /nfs/dbraw/zinc/99/36/20/354993620.db2.gz LYGSXKPYDGPQHW-UHFFFAOYSA-N -1 1 294.713 2.896 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)N1C[C@@H]2CCC[C@H]2C1 ZINC000630352704 355063214 /nfs/dbraw/zinc/06/32/14/355063214.db2.gz ZLYQQGZVNNUHRE-QWRGUYRKSA-N -1 1 287.388 2.982 20 0 CFADMM O=C(C[C@H]1OCCc2ccccc21)[N-]OC1CCCC1 ZINC000271776539 191318321 /nfs/dbraw/zinc/31/83/21/191318321.db2.gz OPFRKYQCHDBHPJ-OAHLLOKOSA-N -1 1 275.348 2.681 20 0 CFADMM O=C([O-])c1cccc(CNCc2ccnn2CC2CCC2)c1 ZINC000630451761 355086990 /nfs/dbraw/zinc/08/69/90/355086990.db2.gz RBGYMNPGVOIXRI-UHFFFAOYSA-N -1 1 299.374 2.671 20 0 CFADMM CC1(C)C[C@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630801952 355181253 /nfs/dbraw/zinc/18/12/53/355181253.db2.gz KHUBUWKQYXQKKD-LLVKDONJSA-N -1 1 253.729 2.503 20 0 CFADMM C[C@H]1CCN(C(=O)c2cncc([O-])c2)[C@H](c2ccco2)C1 ZINC000173355859 188851319 /nfs/dbraw/zinc/85/13/19/188851319.db2.gz UHVFBACDXXDTAH-FZMZJTMJSA-N -1 1 286.331 2.994 20 0 CFADMM CCN(CC)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271815023 191344333 /nfs/dbraw/zinc/34/43/33/191344333.db2.gz BQJXMYJHLHLRPP-UHFFFAOYSA-N -1 1 261.243 2.893 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2nccnc2C)n1 ZINC000630999853 355242298 /nfs/dbraw/zinc/24/22/98/355242298.db2.gz FWCUBZRPXMQCER-UHFFFAOYSA-N -1 1 276.365 2.525 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC2(CC2)C1 ZINC000334649897 540130854 /nfs/dbraw/zinc/13/08/54/540130854.db2.gz AZWOVJMROFIULG-UHFFFAOYSA-N -1 1 253.301 2.781 20 0 CFADMM C[C@H]1OCC[C@H]1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000631018236 355249623 /nfs/dbraw/zinc/24/96/23/355249623.db2.gz HJPQHUJGBJVTQY-SCZZXKLOSA-N -1 1 266.366 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2.844 20 0 CFADMM FC1CCC(CN=c2nc(C(F)(F)F)[n-]s2)CC1 ZINC000645389616 383687499 /nfs/dbraw/zinc/68/74/99/383687499.db2.gz QTUZYDGFSYLJGJ-UHFFFAOYSA-N -1 1 283.294 2.919 20 0 CFADMM Cc1cnc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c([O-])c1 ZINC000333510972 205389407 /nfs/dbraw/zinc/38/94/07/205389407.db2.gz LZPZYQRYSFGZNH-XREXNNHRSA-N -1 1 286.375 2.604 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@H]2CCCC[C@H]21 ZINC000048194656 373152741 /nfs/dbraw/zinc/15/27/41/373152741.db2.gz BSXMYKZBAGLFJA-OCCSQVGLSA-N -1 1 295.766 2.829 20 0 CFADMM Cc1cc2occ(CC(=O)Nc3nnn[n-]3)c2cc1C(C)C ZINC000060850233 373706894 /nfs/dbraw/zinc/70/68/94/373706894.db2.gz JPYDBGTZHZTUES-UHFFFAOYSA-N -1 1 299.334 2.559 20 0 CFADMM Cc1cc2occ(CC(=O)Nc3nn[n-]n3)c2cc1C(C)C ZINC000060850233 373706902 /nfs/dbraw/zinc/70/69/02/373706902.db2.gz JPYDBGTZHZTUES-UHFFFAOYSA-N -1 1 299.334 2.559 20 0 CFADMM CC(C)[C@@H]1C[C@H](NC(=O)c2c(F)ccc([O-])c2F)CCO1 ZINC000289507093 197382344 /nfs/dbraw/zinc/38/23/44/197382344.db2.gz UGZCKGVEXYKUNE-SKDRFNHKSA-N -1 1 299.317 2.604 20 0 CFADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1cnccn1 ZINC000289494955 197375320 /nfs/dbraw/zinc/37/53/20/197375320.db2.gz JYCPJNZJNWMNQO-LURJTMIESA-N -1 1 284.291 2.763 20 0 CFADMM O=c1cc(C(F)F)nc(SC/C=C/Cl)[n-]1 ZINC000289486371 197371635 /nfs/dbraw/zinc/37/16/35/197371635.db2.gz IXGSQAKWOMIOHF-OWOJBTEDSA-N -1 1 252.673 2.964 20 0 CFADMM CC(C)C[C@@H]1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000072929790 374302424 /nfs/dbraw/zinc/30/24/24/374302424.db2.gz MFYNJEKJPLXYLA-LBPRGKRZSA-N -1 1 299.374 2.844 20 0 CFADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000073631100 374360478 /nfs/dbraw/zinc/36/04/78/374360478.db2.gz PCFHTASMLKWXTQ-UHFFFAOYSA-N -1 1 295.335 2.773 20 0 CFADMM O=C(/C=C/c1cscn1)Nc1ccc(F)cc1[O-] ZINC000492286076 246246007 /nfs/dbraw/zinc/24/60/07/246246007.db2.gz DRZOQMIMQLYSDP-DUXPYHPUSA-N -1 1 264.281 2.640 20 0 CFADMM CCOC[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000081467833 374700330 /nfs/dbraw/zinc/70/03/30/374700330.db2.gz 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/nfs/dbraw/zinc/63/57/72/377635772.db2.gz DDVFRMQHMLINPB-UHFFFAOYSA-N -1 1 279.764 2.946 20 0 CFADMM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccncc1[O-] ZINC000131276778 377687027 /nfs/dbraw/zinc/68/70/27/377687027.db2.gz BKYNZVOJRZBVLP-LLVKDONJSA-N -1 1 278.352 2.854 20 0 CFADMM Cc1cccc2c(CC(=O)[N-]O[C@H]3CCCCO3)c[nH]c21 ZINC000132423138 377838215 /nfs/dbraw/zinc/83/82/15/377838215.db2.gz NXQGSYXEMVUNPW-HNNXBMFYSA-N -1 1 288.347 2.593 20 0 CFADMM CC[NH+](CC)Cc1cc(O)ccc1Br ZINC000132456639 377841993 /nfs/dbraw/zinc/84/19/93/377841993.db2.gz HZMSWNQAFJPDPC-UHFFFAOYSA-N -1 1 258.159 2.997 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2ncc(C)o2)n1 ZINC000133342986 377922712 /nfs/dbraw/zinc/92/27/12/377922712.db2.gz UTXZLFUVYXXRAB-UHFFFAOYSA-N -1 1 265.338 2.723 20 0 CFADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])[C@@H]1CCOC1 ZINC000135033354 378076289 /nfs/dbraw/zinc/07/62/89/378076289.db2.gz OUCJOLVDWLUUKR-SMDDNHRTSA-N -1 1 285.343 2.700 20 0 CFADMM CC(C)c1cc([N-]S(=O)(=O)Cc2ccc(F)cc2)n[nH]1 ZINC000135031334 378077058 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O=C(C(=O)N1CC[C@@H](c2ccccc2)C1)c1ccc([O-])cc1 ZINC000334224856 378948715 /nfs/dbraw/zinc/94/87/15/378948715.db2.gz YAZFWRRYVUGNGK-OAHLLOKOSA-N -1 1 295.338 2.591 20 0 CFADMM O=C(CC1(O)CCCCC1)Nc1ccc(F)cc1[O-] ZINC000334255137 378987228 /nfs/dbraw/zinc/98/72/28/378987228.db2.gz FALMRBQEKZQMHC-UHFFFAOYSA-N -1 1 267.300 2.555 20 0 CFADMM O=C([O-])[C@@H]1CCCCN1Cc1cccc(Cl)c1F ZINC000167034539 379066129 /nfs/dbraw/zinc/06/61/29/379066129.db2.gz VQDKLSUHPCKZGW-NSHDSACASA-N -1 1 271.719 2.918 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H]1Cc1ccccc1 ZINC000335351981 379141544 /nfs/dbraw/zinc/14/15/44/379141544.db2.gz YTYDAINWRIGMNM-AWEZNQCLSA-N -1 1 285.318 2.989 20 0 CFADMM CCc1ncsc1C(=O)Nc1ccc(F)cc1[O-] ZINC000334353237 379142935 /nfs/dbraw/zinc/14/29/35/379142935.db2.gz YAAXYQPTHJRVAW-UHFFFAOYSA-N -1 1 266.297 2.803 20 0 CFADMM O=C(NC1(C(F)(F)F)CCC1)c1c([O-])cccc1F ZINC000334376247 379185960 /nfs/dbraw/zinc/18/59/60/379185960.db2.gz VOCCSOWIBJKNQS-UHFFFAOYSA-N -1 1 277.217 2.746 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC(CC(F)F)C1 ZINC000335385411 379200364 /nfs/dbraw/zinc/20/03/64/379200364.db2.gz ZONDTNRIHMZORI-UHFFFAOYSA-N -1 1 275.682 2.773 20 0 CFADMM CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)C1CC1 ZINC000171344476 379286083 /nfs/dbraw/zinc/28/60/83/379286083.db2.gz FIRVVVULOFUQKL-UHFFFAOYSA-N -1 1 273.329 2.517 20 0 CFADMM O=C([N-]c1cnoc1)c1nccnc1Sc1ccccc1 ZINC000680029201 542268084 /nfs/dbraw/zinc/26/80/84/542268084.db2.gz DQKZGWBIZQIRKE-UHFFFAOYSA-N -1 1 298.327 2.868 20 0 CFADMM C[C@H]1CCN(Cc2ccsc2Cl)C[C@@H]1C(=O)[O-] ZINC000335441072 379300660 /nfs/dbraw/zinc/30/06/60/379300660.db2.gz DCFSHQPPVHHQRC-WPRPVWTQSA-N -1 1 273.785 2.944 20 0 CFADMM COc1ccc([C@@H](NC(=O)c2cncc([O-])c2)C2CC2)cc1 ZINC000171910119 379434190 /nfs/dbraw/zinc/43/41/90/379434190.db2.gz VOYDVRQTKXHFQO-INIZCTEOSA-N -1 1 298.342 2.677 20 0 CFADMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cncc([O-])c1 ZINC000172092242 379490299 /nfs/dbraw/zinc/49/02/99/379490299.db2.gz QSYYSSUIGGLKMR-DOMZBBRYSA-N -1 1 282.343 2.805 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@H](CC(F)(F)F)C2)c([O-])c1 ZINC000334556445 379521405 /nfs/dbraw/zinc/52/14/05/379521405.db2.gz UCJROUJCAZSFCW-SECBINFHSA-N -1 1 288.269 2.510 20 0 CFADMM CN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H]1CCC(C)(C)C1 ZINC000334625593 379651958 /nfs/dbraw/zinc/65/19/58/379651958.db2.gz CQKCVNZCHWXQHF-LLVKDONJSA-N -1 1 299.374 2.574 20 0 CFADMM Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc([O-])cc1F ZINC000335704782 379754000 /nfs/dbraw/zinc/75/40/00/379754000.db2.gz SFUWUINFIOUNMD-UHFFFAOYSA-N -1 1 285.225 2.753 20 0 CFADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCCOC1 ZINC000335755770 379837756 /nfs/dbraw/zinc/83/77/56/379837756.db2.gz XCDXKTHFVRHXJH-NXEZZACHSA-N -1 1 283.755 2.591 20 0 CFADMM O=C(c1ncccc1[O-])N1CC[C@H](c2ccccc2F)C1 ZINC000335771902 379862785 /nfs/dbraw/zinc/86/27/85/379862785.db2.gz DULFRJPZWIIODW-NSHDSACASA-N -1 1 286.306 2.556 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@]2(CCSC2)C1 ZINC000334765151 379909486 /nfs/dbraw/zinc/90/94/86/379909486.db2.gz YUOBGTHGXGXKIO-HNNXBMFYSA-N -1 1 295.379 2.891 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000334757018 379892325 /nfs/dbraw/zinc/89/23/25/379892325.db2.gz NBZJNFZVSASVRY-UKRRQHHQSA-N -1 1 275.323 2.792 20 0 CFADMM O=S(=O)([N-]C1(C(F)(F)F)CCCCC1)c1ccoc1 ZINC000334943050 379945839 /nfs/dbraw/zinc/94/58/39/379945839.db2.gz DTGQOUGILRLCPL-UHFFFAOYSA-N -1 1 297.298 2.823 20 0 CFADMM CCc1n[nH]c([N-]S(=O)(=O)c2cccc(F)c2C)c1C ZINC000335828480 379956497 /nfs/dbraw/zinc/95/64/97/379956497.db2.gz AHUPMXNKXBLNNQ-UHFFFAOYSA-N -1 1 297.355 2.529 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c([O-])c1 ZINC000335222978 380033115 /nfs/dbraw/zinc/03/31/15/380033115.db2.gz JXFPZJAPTRNEDD-BZNIZROVSA-N -1 1 274.364 2.748 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1C[C@@H]1C1CC1 ZINC000335214406 380019538 /nfs/dbraw/zinc/01/95/38/380019538.db2.gz GAEOWCLWDOEFJP-SFYZADRCSA-N -1 1 253.248 2.655 20 0 CFADMM C[C@H](C(=O)Nc1ccc([O-])c(F)c1F)C(C)(F)F ZINC000335214397 380020500 /nfs/dbraw/zinc/02/05/00/380020500.db2.gz FZOBLNBEOCIDGI-RXMQYKEDSA-N -1 1 265.206 2.900 20 0 CFADMM COC1(C(=O)Nc2ccc([O-])c(F)c2F)CCCCC1 ZINC000335216920 380023244 /nfs/dbraw/zinc/02/32/44/380023244.db2.gz NJLDRZCMZJDPGI-UHFFFAOYSA-N -1 1 285.290 2.958 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H](O)C1CCCCC1 ZINC000335218325 380025236 /nfs/dbraw/zinc/02/52/36/380025236.db2.gz QOZAXZJDRLQRKO-CYBMUJFWSA-N -1 1 285.290 2.550 20 0 CFADMM C[C@]1(c2nc(-c3ccc([O-])cc3F)no2)C[C@@H]1F ZINC000335247839 380077777 /nfs/dbraw/zinc/07/77/77/380077777.db2.gz DZNGFAZSKXFNBE-CABZTGNLSA-N -1 1 252.220 2.581 20 0 CFADMM C[C@]1(c2nc(-c3ccc([O-])cc3F)no2)C[C@H]1F ZINC000335247843 380077861 /nfs/dbraw/zinc/07/78/61/380077861.db2.gz DZNGFAZSKXFNBE-SKDRFNHKSA-N -1 1 252.220 2.581 20 0 CFADMM Cc1[nH]nc(C(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC000335911230 380095105 /nfs/dbraw/zinc/09/51/05/380095105.db2.gz OEDWTOYEPABJHS-UHFFFAOYSA-N -1 1 265.700 2.638 20 0 CFADMM Cc1cnc(C(=O)N(C)[C@H](C)c2ccccc2)c([O-])c1 ZINC000336020149 380246869 /nfs/dbraw/zinc/24/68/69/380246869.db2.gz HXXBXFVZADRBPM-GFCCVEGCSA-N -1 1 270.332 2.929 20 0 CFADMM CC(C)C[C@H]1CCCCN1C(=O)c1cncc([O-])c1 ZINC000176850042 380279019 /nfs/dbraw/zinc/27/90/19/380279019.db2.gz BHKDPDFRUGTQBF-CYBMUJFWSA-N -1 1 262.353 2.828 20 0 CFADMM Cc1cccc(CN(C)C(=O)c2cncc([O-])c2)c1C ZINC000336614527 380551352 /nfs/dbraw/zinc/55/13/52/380551352.db2.gz PHKNURXKEQEBPF-UHFFFAOYSA-N -1 1 270.332 2.676 20 0 CFADMM CCOC1(CN=c2nc(C(F)(F)F)[n-]s2)CCCC1 ZINC000336818535 380682247 /nfs/dbraw/zinc/68/22/47/380682247.db2.gz VXVVEMDLGSJYAD-UHFFFAOYSA-N -1 1 295.330 2.740 20 0 CFADMM O=C(Nc1cccc2ccc(O)cc21)c1cncc([O-])c1 ZINC000180838228 380704304 /nfs/dbraw/zinc/70/43/04/380704304.db2.gz XTXNGMBIGYJPLL-UHFFFAOYSA-N -1 1 280.283 2.898 20 0 CFADMM C[C@H](c1ccccn1)N(C)C(=O)c1ccc([O-])cc1F ZINC000181188099 380753832 /nfs/dbraw/zinc/75/38/32/380753832.db2.gz PNGYNCVZUOQRKV-SNVBAGLBSA-N -1 1 274.295 2.760 20 0 CFADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc([O-])cc2F)C1 ZINC000181051475 380730159 /nfs/dbraw/zinc/73/01/59/380730159.db2.gz HQNUGZJEHZOPAE-NXEZZACHSA-N -1 1 251.301 2.649 20 0 CFADMM CCOc1cccc(CNC(=O)c2ccc([O-])cc2F)c1 ZINC000181143677 380746310 /nfs/dbraw/zinc/74/63/10/380746310.db2.gz VEURBLAETWQLOP-UHFFFAOYSA-N -1 1 289.306 2.860 20 0 CFADMM CSc1nsc([N-]C(=O)c2oc(C(C)C)nc2C)n1 ZINC000295399934 380829402 /nfs/dbraw/zinc/82/94/02/380829402.db2.gz MAAMJFDRZPNMNL-UHFFFAOYSA-N -1 1 298.393 2.932 20 0 CFADMM C[C@H]1CCCC[C@H]1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000287596985 380880869 /nfs/dbraw/zinc/88/08/69/380880869.db2.gz RWUXJAFMHZDHMD-AAEUAGOBSA-N -1 1 275.348 2.517 20 0 CFADMM C[C@@H]1CCCC[C@H]1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000287596995 380881481 /nfs/dbraw/zinc/88/14/81/380881481.db2.gz RWUXJAFMHZDHMD-YPMHNXCESA-N -1 1 275.348 2.517 20 0 CFADMM O=C(N[C@H](Cc1ccccc1)C1CC1)c1ncccc1[O-] ZINC000347131181 380961775 /nfs/dbraw/zinc/96/17/75/380961775.db2.gz DEONAQFLAIZVPZ-CQSZACIVSA-N -1 1 282.343 2.538 20 0 CFADMM COCC(C)(C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182029991 380968835 /nfs/dbraw/zinc/96/88/35/380968835.db2.gz PMJHPTMXYCXBHF-UHFFFAOYSA-N -1 1 291.269 2.566 20 0 CFADMM CC(C)=CCC[C@H](C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000295678461 381011324 /nfs/dbraw/zinc/01/13/24/381011324.db2.gz SNMALWKLZYLHQF-LBPRGKRZSA-N -1 1 275.348 2.826 20 0 CFADMM O=C(NCCC1CCCCC1)c1csc(=NC2CC2)[n-]1 ZINC000354015682 381020520 /nfs/dbraw/zinc/02/05/20/381020520.db2.gz UVNWINVCJWZYGF-UHFFFAOYSA-N -1 1 293.436 2.840 20 0 CFADMM C[C@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)[C@H]1C ZINC000289176988 381025105 /nfs/dbraw/zinc/02/51/05/381025105.db2.gz ACFAMPDGSSAFKO-YUMQZZPRSA-N -1 1 255.264 2.541 20 0 CFADMM COc1cccc(CSc2nc(C(F)F)cc(=O)[n-]2)n1 ZINC000289584950 381055406 /nfs/dbraw/zinc/05/54/06/381055406.db2.gz RRBCEOUWAGHTMC-UHFFFAOYSA-N -1 1 299.302 2.816 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N(C1CC1)C1COC1 ZINC000295735808 381043344 /nfs/dbraw/zinc/04/33/44/381043344.db2.gz LYJOGEVOEWNKCB-UHFFFAOYSA-N -1 1 283.327 2.549 20 0 CFADMM CCC(CC)[C@H](NCc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000341591721 381109248 /nfs/dbraw/zinc/10/92/48/381109248.db2.gz JKELEPHHPRQUJF-AWEZNQCLSA-N -1 1 274.368 2.777 20 0 CFADMM Cc1ccc2sc(C(=O)Nc3ccncc3[O-])cc2c1 ZINC000354253986 381167633 /nfs/dbraw/zinc/16/76/33/381167633.db2.gz JATXOVVROAEMDQ-UHFFFAOYSA-N -1 1 284.340 2.985 20 0 CFADMM Cc1cc([C@@H]2CCN(C(=O)c3cncc([O-])c3)C2)cs1 ZINC000368888634 381156507 /nfs/dbraw/zinc/15/65/07/381156507.db2.gz MAPZQCHKLZRIPS-LLVKDONJSA-N -1 1 288.372 2.787 20 0 CFADMM O=C(NCC[C@H]1CCCCO1)c1ccc(Cl)cc1[O-] ZINC000182840261 381168405 /nfs/dbraw/zinc/16/84/05/381168405.db2.gz DUELSMPBHYKCAB-LLVKDONJSA-N -1 1 283.755 2.735 20 0 CFADMM COCCC1(C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000182861159 381172820 /nfs/dbraw/zinc/17/28/20/381172820.db2.gz PNAWMBYNXBGWPN-UHFFFAOYSA-N -1 1 269.728 2.801 20 0 CFADMM Cc1cc(C)c(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)[nH]1 ZINC000359005136 381208393 /nfs/dbraw/zinc/20/83/93/381208393.db2.gz VLCROXWYAAUNKT-UHFFFAOYSA-N -1 1 285.307 2.570 20 0 CFADMM COc1cc(C(=O)[N-]c2cc(Cl)ccc2F)on1 ZINC000183367264 381261762 /nfs/dbraw/zinc/26/17/62/381261762.db2.gz CZHBEGCWWFXGNR-UHFFFAOYSA-N -1 1 270.647 2.728 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCCO[C@H]2CCC[C@@H]21 ZINC000369467041 381266969 /nfs/dbraw/zinc/26/69/69/381266969.db2.gz HGKZVDLZOUAGNZ-JSGCOSHPSA-N -1 1 295.766 2.829 20 0 CFADMM CCC[C@@H](NC(=O)CCCCC(C)(C)C)c1nn[n-]n1 ZINC000342236301 381228303 /nfs/dbraw/zinc/22/83/03/381228303.db2.gz UIICIOLIGMSFPV-LLVKDONJSA-N -1 1 281.404 2.764 20 0 CFADMM O=C(c1cccc2nn[nH]c21)N1CCC[C@]2(CC=CCC2)C1 ZINC000183622935 381295786 /nfs/dbraw/zinc/29/57/86/381295786.db2.gz GGWXCGSSUOZGGI-QGZVFWFLSA-N -1 1 296.374 2.920 20 0 CFADMM COCC[C@H](C)CNC(=O)c1ccc2ccccc2c1[O-] ZINC000412464103 381309106 /nfs/dbraw/zinc/30/91/06/381309106.db2.gz AHYDMHSUVUENQX-LBPRGKRZSA-N -1 1 287.359 2.948 20 0 CFADMM O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(F)cc1F)C2 ZINC000296237989 381314167 /nfs/dbraw/zinc/31/41/67/381314167.db2.gz CNILJSRYDHEKNZ-NHYWBVRUSA-N -1 1 281.302 2.652 20 0 CFADMM CC(C)C[C@@]1(C)CCCN1C(=O)c1ncccc1[O-] ZINC000296415934 381384871 /nfs/dbraw/zinc/38/48/71/381384871.db2.gz XREURSBCQVNSID-OAHLLOKOSA-N -1 1 262.353 2.828 20 0 CFADMM O=C(N[C@@H]1CCCC[C@H]1F)c1cc(F)ccc1[O-] ZINC000412675409 381396926 /nfs/dbraw/zinc/39/69/26/381396926.db2.gz SMLMSRGSRKVRMZ-GHMZBOCLSA-N -1 1 255.264 2.542 20 0 CFADMM C[C@@H]1CCCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000290370430 381402397 /nfs/dbraw/zinc/40/23/97/381402397.db2.gz HJRKPMDFGJHQHL-SECBINFHSA-N -1 1 269.291 2.933 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N3CC(C)(C)C[C@H]3C)cnc2n1 ZINC000412777534 381438962 /nfs/dbraw/zinc/43/89/62/381438962.db2.gz HVXPWQYBZVAWNT-LLVKDONJSA-N -1 1 299.374 2.904 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC(C)(C)C[C@H]1C)c2=O ZINC000412777534 381438971 /nfs/dbraw/zinc/43/89/71/381438971.db2.gz HVXPWQYBZVAWNT-LLVKDONJSA-N -1 1 299.374 2.904 20 0 CFADMM CC[C@H](C)c1cc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)on1 ZINC000184628018 381448847 /nfs/dbraw/zinc/44/88/47/381448847.db2.gz JFGFBIRAEALNHM-QMMMGPOBSA-N -1 1 289.339 2.826 20 0 CFADMM CCN(Cc1occc1C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000412804963 381453829 /nfs/dbraw/zinc/45/38/29/381453829.db2.gz PZOGKLFXFWEJFA-UHFFFAOYSA-N -1 1 287.315 2.525 20 0 CFADMM COCC(C)(C)CCCNC(=O)c1c([O-])cccc1F ZINC000290513144 381459930 /nfs/dbraw/zinc/45/99/30/381459930.db2.gz NLOOMLHYHJHZND-UHFFFAOYSA-N -1 1 283.343 2.714 20 0 CFADMM Cc1ccc(O)c(C[N@H+](Cc2ccccn2)C2CC2)n1 ZINC000290630804 381503943 /nfs/dbraw/zinc/50/39/43/381503943.db2.gz XYMGRXUADGZPIX-UHFFFAOYSA-N -1 1 269.348 2.655 20 0 CFADMM CCC[C@@H](C)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000354864652 381495547 /nfs/dbraw/zinc/49/55/47/381495547.db2.gz XBMSKZHNAVTDPS-SECBINFHSA-N -1 1 263.366 2.935 20 0 CFADMM O=C(NCc1cc(F)cc(F)c1)c1c([O-])cccc1F ZINC000184969391 381502819 /nfs/dbraw/zinc/50/28/19/381502819.db2.gz KIODGRYVCJTIIA-UHFFFAOYSA-N -1 1 281.233 2.740 20 0 CFADMM O=C(Nc1cc2c(cn1)CCC2)c1cc(-c2ccco2)n[nH]1 ZINC000359752067 381595017 /nfs/dbraw/zinc/59/50/17/381595017.db2.gz PRHZSDJMKOHDIP-UHFFFAOYSA-N -1 1 294.314 2.806 20 0 CFADMM CO[C@](C)(c1nc(-c2ccc([O-])c(F)c2)no1)C1CC1 ZINC000291110009 381670319 /nfs/dbraw/zinc/67/03/19/381670319.db2.gz SQIGBNLHVHNNLL-AWEZNQCLSA-N -1 1 278.283 2.853 20 0 CFADMM CCOc1cc(Cl)ccc1[N-]S(=O)(=O)C1CC1 ZINC000185624542 381685407 /nfs/dbraw/zinc/68/54/07/381685407.db2.gz JBCQGGYCBFWEKE-UHFFFAOYSA-N -1 1 275.757 2.643 20 0 CFADMM O=S(=O)([N-][C@H]1CC=CCC1)c1c(F)cccc1Cl ZINC000185660850 381697375 /nfs/dbraw/zinc/69/73/75/381697375.db2.gz JJSZWRZATFQEAB-VIFPVBQESA-N -1 1 289.759 2.866 20 0 CFADMM C[C@@H](N=c1[n-]c(C(F)(F)F)cs1)[C@H]1CCCOC1 ZINC000355565081 381783854 /nfs/dbraw/zinc/78/38/54/381783854.db2.gz LDRKWWMHHBUBCR-SFYZADRCSA-N -1 1 280.315 2.811 20 0 CFADMM Cc1sc(CNC(=O)c2ncccc2[O-])nc1C(C)C ZINC000349097974 381822685 /nfs/dbraw/zinc/82/26/85/381822685.db2.gz LYWNNJXVOOHTAT-UHFFFAOYSA-N -1 1 291.376 2.606 20 0 CFADMM CCc1ccc(CCC(=O)Nc2nc(SC)n[nH]2)cc1 ZINC000299487630 381958442 /nfs/dbraw/zinc/95/84/42/381958442.db2.gz FEDHOFKEQNRLKK-UHFFFAOYSA-N -1 1 290.392 2.660 20 0 CFADMM CCOc1cc(C(=O)NCc2ccoc2)cc(Cl)c1[O-] ZINC000186695974 381987600 /nfs/dbraw/zinc/98/76/00/381987600.db2.gz ZRIDOZNCPLGFGV-UHFFFAOYSA-N -1 1 295.722 2.967 20 0 CFADMM CCN(Cc1cccc(F)c1)C(=O)c1ncccc1[O-] ZINC000357116377 382015260 /nfs/dbraw/zinc/01/52/60/382015260.db2.gz LUOJMFGZVSDNAD-UHFFFAOYSA-N -1 1 274.295 2.589 20 0 CFADMM [O-]c1ccc(-c2nc(CCC3CCOCC3)no2)c(F)c1 ZINC000293098090 381988085 /nfs/dbraw/zinc/98/80/85/381988085.db2.gz FNXPTLHKRVWBNC-UHFFFAOYSA-N -1 1 292.310 2.941 20 0 CFADMM CN(C)c1cccc(CNCc2cccc([O-])c2Cl)n1 ZINC000293268326 382056037 /nfs/dbraw/zinc/05/60/37/382056037.db2.gz NHZFDJWOIVBUST-UHFFFAOYSA-N -1 1 291.782 2.796 20 0 CFADMM C/C=C/C[C@H](CO)NC(=O)c1cc2ccccc2cc1[O-] ZINC000187180596 382121494 /nfs/dbraw/zinc/12/14/94/382121494.db2.gz PEKNXPXUXJYBIP-BAABZTOOSA-N -1 1 285.343 2.602 20 0 CFADMM COc1cc(C)c([N-]S(=O)(=O)c2ccccc2)cc1F ZINC000187066692 382091204 /nfs/dbraw/zinc/09/12/04/382091204.db2.gz GEKBFNYMRWFIEL-UHFFFAOYSA-N -1 1 295.335 2.944 20 0 CFADMM CCCc1cccc(/C=C/c2cc(=O)n3[n-]cnc3n2)c1 ZINC000352025224 382137843 /nfs/dbraw/zinc/13/78/43/382137843.db2.gz DDBISPJALBPUOD-BQYQJAHWSA-N -1 1 280.331 2.541 20 0 CFADMM CC(C)CSCCNC(=O)c1c(F)ccc([O-])c1F ZINC000289468989 197361691 /nfs/dbraw/zinc/36/16/91/197361691.db2.gz PFGYRDAHYRKYLM-UHFFFAOYSA-N -1 1 289.347 2.789 20 0 CFADMM CC[C@H](N=c1nc([C@H](C)OC)[n-]s1)[C@@H]1CC1(C)C ZINC000419006398 382214553 /nfs/dbraw/zinc/21/45/53/382214553.db2.gz WESHPKAVOBCIGA-GUBZILKMSA-N -1 1 269.414 2.904 20 0 CFADMM COC(=O)c1c[n-]c(SCc2cccc(F)c2)n1 ZINC000187587641 382217438 /nfs/dbraw/zinc/21/74/38/382217438.db2.gz LTWXNTVVSUZNIM-UHFFFAOYSA-N -1 1 266.297 2.628 20 0 CFADMM C[C@H]1CCC[C@H]1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000187601266 382222436 /nfs/dbraw/zinc/22/24/36/382222436.db2.gz DBLVEIDEFKTXLP-BQBZGAKWSA-N -1 1 276.262 2.588 20 0 CFADMM COC(=O)c1c[n-]c(SCc2ccccc2F)n1 ZINC000187597299 382222536 /nfs/dbraw/zinc/22/25/36/382222536.db2.gz CJSGCJOAIPQWIT-UHFFFAOYSA-N -1 1 266.297 2.628 20 0 CFADMM Cc1cnc(C(=O)NC[C@H]2C[C@H]2c2ccccc2)c([O-])c1 ZINC000357639506 382262074 /nfs/dbraw/zinc/26/20/74/382262074.db2.gz MNGZIYICJDSBQZ-KGLIPLIRSA-N -1 1 282.343 2.629 20 0 CFADMM CC1([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCCC1 ZINC000357664316 382270169 /nfs/dbraw/zinc/27/01/69/382270169.db2.gz OBTRBWPLLJOBJV-UHFFFAOYSA-N -1 1 293.310 2.715 20 0 CFADMM CC(C)SCC[NH2+]Cc1c(F)ccc(O)c1F ZINC000293914591 382335404 /nfs/dbraw/zinc/33/54/04/382335404.db2.gz MCRWDLWIRKVJBS-UHFFFAOYSA-N -1 1 261.337 2.902 20 0 CFADMM O=c1cc(C2CC2)nc(SCc2nccn2C(F)F)[n-]1 ZINC000188131310 382352385 /nfs/dbraw/zinc/35/23/85/382352385.db2.gz SCUOSMQQFDWLIS-UHFFFAOYSA-N -1 1 298.318 2.944 20 0 CFADMM [O-]c1cccc(CN2CCOC[C@H]2CC(F)F)c1Cl ZINC000293970431 382360529 /nfs/dbraw/zinc/36/05/29/382360529.db2.gz QMTKAOCMJBMUPZ-SNVBAGLBSA-N -1 1 291.725 2.902 20 0 CFADMM Cc1ccc2nc(-c3ccc(OCCO)cc3)[n-]c(=O)c2c1 ZINC000304073667 382375241 /nfs/dbraw/zinc/37/52/41/382375241.db2.gz WHANTTYMHCYHSI-UHFFFAOYSA-N -1 1 296.326 2.682 20 0 CFADMM O=C(Nc1cnns1)c1ccc(C(F)(F)F)cc1[O-] ZINC000188239587 382375542 /nfs/dbraw/zinc/37/55/42/382375542.db2.gz OBGGVQKWFLWXIZ-UHFFFAOYSA-N -1 1 289.238 2.515 20 0 CFADMM Cc1ccc(-n2cccn2)cc1NC(=O)c1cncc([O-])c1 ZINC000188268497 382381599 /nfs/dbraw/zinc/38/15/99/382381599.db2.gz IBULMNGTEGFKDY-UHFFFAOYSA-N -1 1 294.314 2.534 20 0 CFADMM Cc1[nH+]ccn1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000346629145 382444001 /nfs/dbraw/zinc/44/40/01/382444001.db2.gz RBLNHNKRHOCODT-UHFFFAOYSA-N -1 1 280.287 2.635 20 0 CFADMM Cc1ccc(-c2n[nH]c(NC(=O)C(C)(C)C(F)F)n2)o1 ZINC000352594667 382408996 /nfs/dbraw/zinc/40/89/96/382408996.db2.gz KORHASBAAAZGDZ-UHFFFAOYSA-N -1 1 284.266 2.603 20 0 CFADMM Cc1nc([C@H]2CCCN2CC(=O)[O-])[nH]c1-c1ccccc1 ZINC000378201431 382417011 /nfs/dbraw/zinc/41/70/11/382417011.db2.gz JZOOPKJWSCBDID-CYBMUJFWSA-N -1 1 285.347 2.607 20 0 CFADMM C[C@H]1CN(C2CC2)C[C@H]1N=c1nc(C2CCCC2)[n-]s1 ZINC000420596273 382417138 /nfs/dbraw/zinc/41/71/38/382417138.db2.gz HGSXHGMTACNQJO-GXFFZTMASA-N -1 1 292.452 2.512 20 0 CFADMM C[C@@H]1C[C@@H](N=c2nc(C3CCCC3)[n-]s2)CN1C1CC1 ZINC000420599340 382419290 /nfs/dbraw/zinc/41/92/90/382419290.db2.gz LETBIOGGGJGHCB-ZYHUDNBSSA-N -1 1 292.452 2.655 20 0 CFADMM COCCS(=O)(=O)[N-]c1ccccc1-c1cccs1 ZINC000346645598 382453567 /nfs/dbraw/zinc/45/35/67/382453567.db2.gz BGFBVDSFWSZTSQ-UHFFFAOYSA-N -1 1 297.401 2.803 20 0 CFADMM CC(C)[N@H+](C)Cc1cccc(O)c1Br ZINC000306354050 382455584 /nfs/dbraw/zinc/45/55/84/382455584.db2.gz QBJRYJGYDRZDHM-UHFFFAOYSA-N -1 1 258.159 2.995 20 0 CFADMM COC[C@]1(C)CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000294197272 382456009 /nfs/dbraw/zinc/45/60/09/382456009.db2.gz LPDQZLZWXXQUPR-CQSZACIVSA-N -1 1 283.755 2.544 20 0 CFADMM COc1cc(C(=O)N[C@H](C)C2CC2)cc(Cl)c1[O-] ZINC000358156739 382474941 /nfs/dbraw/zinc/47/49/41/382474941.db2.gz QCBWYKCWRBRLDG-SSDOTTSWSA-N -1 1 269.728 2.583 20 0 CFADMM CC(F)(F)CCNC(=O)c1cc(Cl)ccc1[O-] ZINC000294241912 382475028 /nfs/dbraw/zinc/47/50/28/382475028.db2.gz PHTBDPNDBRFIOP-UHFFFAOYSA-N -1 1 263.671 2.821 20 0 CFADMM CO[C@](C)(CNC(=O)c1cc(Cl)ccc1[O-])C1CC1 ZINC000381925663 382526095 /nfs/dbraw/zinc/52/60/95/382526095.db2.gz VXRNRRWZQVBVOX-CQSZACIVSA-N -1 1 283.755 2.591 20 0 CFADMM O=C(N[C@@H]1CC2CCC1CC2)c1c([O-])cccc1F ZINC000311598881 382506255 /nfs/dbraw/zinc/50/62/55/382506255.db2.gz CCLHSVTZMAVABV-RTYFJBAXSA-N -1 1 263.312 2.840 20 0 CFADMM CN(CCc1ccccc1)Cc1nc(C(=O)[O-])cs1 ZINC000381160481 382518351 /nfs/dbraw/zinc/51/83/51/382518351.db2.gz VRMSFHWQTNAHHL-UHFFFAOYSA-N -1 1 276.361 2.516 20 0 CFADMM CCCC[C@@H](CC)CC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000366707100 382542124 /nfs/dbraw/zinc/54/21/24/382542124.db2.gz CCIPERXLJZOZNM-OLZOCXBDSA-N -1 1 293.415 2.512 20 0 CFADMM CN(CCOCc1ccccc1)Cc1occc1C(=O)[O-] ZINC000383595786 382545962 /nfs/dbraw/zinc/54/59/62/382545962.db2.gz GCLCQCZEOYUSTF-UHFFFAOYSA-N -1 1 289.331 2.626 20 0 CFADMM CCN(CCC1CC1)C(=O)c1ccc([O-])cc1F ZINC000385766268 382576985 /nfs/dbraw/zinc/57/69/85/382576985.db2.gz AQZCUMAFEPINQS-UHFFFAOYSA-N -1 1 251.301 2.794 20 0 CFADMM CC(C)n1cnnc1CN(C)Cc1cccc([O-])c1Cl ZINC000353610614 382577004 /nfs/dbraw/zinc/57/70/04/382577004.db2.gz XDVYNCBXEPEKBF-UHFFFAOYSA-N -1 1 294.786 2.850 20 0 CFADMM Cn1cnnc1[C@@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000295214181 382588447 /nfs/dbraw/zinc/58/84/47/382588447.db2.gz AYUIOIIZXWCXKB-NSHDSACASA-N -1 1 292.770 2.511 20 0 CFADMM O=C([O-])[C@@H]1CN(C(c2ccccc2)c2ccccc2)CCO1 ZINC000387983346 382602601 /nfs/dbraw/zinc/60/26/01/382602601.db2.gz QQVUWPCAUVQETC-INIZCTEOSA-N -1 1 297.354 2.561 20 0 CFADMM C[N@H+](CCC1CCOCC1)Cc1c(F)ccc(O)c1F ZINC000295291576 382609074 /nfs/dbraw/zinc/60/90/74/382609074.db2.gz JEYPZOWEFVIQOJ-UHFFFAOYSA-N -1 1 285.334 2.919 20 0 CFADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])C(C)(F)F ZINC000389524345 382615269 /nfs/dbraw/zinc/61/52/69/382615269.db2.gz KLTUYKUPKWKRAE-LURJTMIESA-N -1 1 263.671 2.819 20 0 CFADMM CC[C@@]1(CO)CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000189268554 382578738 /nfs/dbraw/zinc/57/87/38/382578738.db2.gz YEUUECNNXMIFJJ-SFHVURJKSA-N -1 1 299.370 2.923 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)NC[C@@H]3CC=CCC3)cnc2n1 ZINC000195708385 382770632 /nfs/dbraw/zinc/77/06/32/382770632.db2.gz ITKOOVSNCOGFRD-GFCCVEGCSA-N -1 1 297.358 2.730 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)NC[C@@H]1CC=CCC1)c2=O ZINC000195708385 382770634 /nfs/dbraw/zinc/77/06/34/382770634.db2.gz ITKOOVSNCOGFRD-GFCCVEGCSA-N -1 1 297.358 2.730 20 0 CFADMM C[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000220156601 382795381 /nfs/dbraw/zinc/79/53/81/382795381.db2.gz AQPUIOUMFWTYHR-RISCZKNCSA-N -1 1 285.343 2.843 20 0 CFADMM CCN(c1ccc(C(=O)Nc2ccncc2[O-])cc1)C(C)C ZINC000336892924 382738309 /nfs/dbraw/zinc/73/83/09/382738309.db2.gz KGQNXTULBWRCNH-UHFFFAOYSA-N -1 1 299.374 2.696 20 0 CFADMM CCC[C@@H]1CCCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000575929008 382804499 /nfs/dbraw/zinc/80/44/99/382804499.db2.gz JXUFHWKDMSVPAT-SNVBAGLBSA-N -1 1 268.382 2.853 20 0 CFADMM COC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000226654067 382830614 /nfs/dbraw/zinc/83/06/14/382830614.db2.gz UEXWJYFWQWLTEW-SNVBAGLBSA-N -1 1 283.755 2.544 20 0 CFADMM Cc1ccsc1C[N-]C(=O)C(F)(F)C(F)F ZINC000226617255 382830727 /nfs/dbraw/zinc/83/07/27/382830727.db2.gz YLKGQXUDYSKHAN-UHFFFAOYSA-N -1 1 255.236 2.573 20 0 CFADMM Cc1ccccc1[C@@H](C)N(C)Cc1oncc1C(=O)[O-] ZINC000576710427 382833200 /nfs/dbraw/zinc/83/32/00/382833200.db2.gz JFCQDZUPFKKWNB-LLVKDONJSA-N -1 1 274.320 2.874 20 0 CFADMM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000337691934 382855587 /nfs/dbraw/zinc/85/55/87/382855587.db2.gz VISRAOASOKKBFE-VHSXEESVSA-N -1 1 289.347 2.822 20 0 CFADMM CCCn1c(C)nnc1SCC(=O)c1ccc([O-])cc1 ZINC000534795845 382936241 /nfs/dbraw/zinc/93/62/41/382936241.db2.gz PYVFDHJQNXRUQJ-UHFFFAOYSA-N -1 1 291.376 2.677 20 0 CFADMM O=C(N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1)c1cnn[nH]1 ZINC000579081147 382980020 /nfs/dbraw/zinc/98/00/20/382980020.db2.gz KMAIXTGRIAPHDK-PWSUYJOCSA-N -1 1 290.754 2.524 20 0 CFADMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000447767496 383003336 /nfs/dbraw/zinc/00/33/36/383003336.db2.gz QORRXPMPSDFODL-GXTWGEPZSA-N -1 1 289.281 2.956 20 0 CFADMM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000579814146 383054882 /nfs/dbraw/zinc/05/48/82/383054882.db2.gz HNDHSZPMENEMIN-NWDGAFQWSA-N -1 1 279.361 2.756 20 0 CFADMM C[C@@H](Cc1cnn(C)c1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000457670065 383067659 /nfs/dbraw/zinc/06/76/59/383067659.db2.gz SYFBJUAFONDWMA-VIFPVBQESA-N -1 1 293.754 2.596 20 0 CFADMM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sccc1F ZINC000338849501 383067884 /nfs/dbraw/zinc/06/78/84/383067884.db2.gz MDVGNRYUQOZJAY-WCBMZHEXSA-N -1 1 277.386 2.744 20 0 CFADMM O=C(Nc1csc(-c2ccncc2)n1)c1cncc([O-])c1 ZINC000338869348 383072863 /nfs/dbraw/zinc/07/28/63/383072863.db2.gz KHSHFJMLHLZUNJ-UHFFFAOYSA-N -1 1 298.327 2.558 20 0 CFADMM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1sccc1F ZINC000338872165 383072885 /nfs/dbraw/zinc/07/28/85/383072885.db2.gz LISZNBHNYNLNMY-YUMQZZPRSA-N -1 1 265.375 2.600 20 0 CFADMM CO[C@H](CSc1ncc(C)c(=O)[n-]1)CC(C)C ZINC000579979087 383073251 /nfs/dbraw/zinc/07/32/51/383073251.db2.gz OZXVTBYMCIBISD-JTQLQIEISA-N -1 1 256.371 2.644 20 0 CFADMM CCC[C@H](CC)[N-]S(=O)(=O)c1sccc1F ZINC000338877397 383074743 /nfs/dbraw/zinc/07/47/43/383074743.db2.gz MKXNAQSFGGGPSU-QMMMGPOBSA-N -1 1 265.375 2.744 20 0 CFADMM CC(C)C1([N-]S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000339037599 383127715 /nfs/dbraw/zinc/12/77/15/383127715.db2.gz MBBVDZFAOZGYTG-UHFFFAOYSA-N -1 1 291.775 2.946 20 0 CFADMM O=S(=O)([N-]C/C=C\c1ccccc1)c1sccc1F ZINC000338913071 383083592 /nfs/dbraw/zinc/08/35/92/383083592.db2.gz YDMKEHGNAWLIET-DAXSKMNVSA-N -1 1 297.376 2.879 20 0 CFADMM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1sccc1F ZINC000338930630 383089029 /nfs/dbraw/zinc/08/90/29/383089029.db2.gz BAWXMUIOOHFUOC-WCBMZHEXSA-N -1 1 277.386 2.744 20 0 CFADMM CC(C)C(C)(C)C[N-]S(=O)(=O)c1sccc1F ZINC000338961589 383101537 /nfs/dbraw/zinc/10/15/37/383101537.db2.gz GRDLSYAHSKIAHB-UHFFFAOYSA-N -1 1 279.402 2.848 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(C)c(C)s2)n1 ZINC000339162881 383172243 /nfs/dbraw/zinc/17/22/43/383172243.db2.gz ALAOFUBVWJVSMX-UHFFFAOYSA-N -1 1 293.348 2.517 20 0 CFADMM CC[C@H](CC(C)C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000449263650 383189810 /nfs/dbraw/zinc/18/98/10/383189810.db2.gz LUXCVSWSBTYJBA-SSDOTTSWSA-N -1 1 278.278 2.834 20 0 CFADMM O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1ccc([O-])cc1F ZINC000634431721 383194530 /nfs/dbraw/zinc/19/45/30/383194530.db2.gz LLPNJTXKZVQEJE-LSDHHAIUSA-N -1 1 293.338 2.609 20 0 CFADMM CC[C@]1(C)CCCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000566684258 383201333 /nfs/dbraw/zinc/20/13/33/383201333.db2.gz PCJZMDMTZRNAJN-CYBMUJFWSA-N -1 1 268.382 2.853 20 0 CFADMM CCOCCCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339132844 383160677 /nfs/dbraw/zinc/16/06/77/383160677.db2.gz KJRPLQSWMWPCFR-UHFFFAOYSA-N -1 1 289.335 2.538 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3nc4ccccc4o3)c(=O)c21 ZINC000634586543 383249001 /nfs/dbraw/zinc/24/90/01/383249001.db2.gz OCUWCOMXGAQOHM-PRHODGIISA-N -1 1 255.277 2.577 20 0 CFADMM COc1ccc(-c2[n-]n([C@H](C)C3CC3)c(=O)c2C)cc1 ZINC000634597326 383259586 /nfs/dbraw/zinc/25/95/86/383259586.db2.gz HHKPBVZAOBAEKG-WDEREUQCSA-N -1 1 272.348 2.676 20 0 CFADMM CCc1c(C)[n-]n(-c2cccc(C(F)(F)F)n2)c1=O ZINC000634612048 383272785 /nfs/dbraw/zinc/27/27/85/383272785.db2.gz LYBJIWIBJPUZFC-QMMMGPOBSA-N -1 1 271.242 2.849 20 0 CFADMM COc1ccc(CCn2[n-]c3c(c2=O)CCCC3)cc1 ZINC000634613134 383274513 /nfs/dbraw/zinc/27/45/13/383274513.db2.gz QHTQIKPHMQNAIQ-AWEZNQCLSA-N -1 1 272.348 2.626 20 0 CFADMM CC(C)[C@@H]1CCc2[n-]n(CCc3ccccn3)c(=O)c2C1 ZINC000634614969 383275394 /nfs/dbraw/zinc/27/53/94/383275394.db2.gz UDHVSMKHISKKPR-HIFRSBDPSA-N -1 1 285.391 2.895 20 0 CFADMM C[C@@H](CN(C)Cc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000519609014 383230874 /nfs/dbraw/zinc/23/08/74/383230874.db2.gz UYTGLNXDDQXXOI-NSHDSACASA-N -1 1 290.388 2.963 20 0 CFADMM 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383404037 /nfs/dbraw/zinc/40/40/37/383404037.db2.gz AUINKCHCKCQFFT-UHFFFAOYSA-N -1 1 280.315 2.812 20 0 CFADMM C[C@@H](CN(Cc1nccn1-c1ccccc1)C1CC1)C(=O)[O-] ZINC000568523270 383412729 /nfs/dbraw/zinc/41/27/29/383412729.db2.gz YXNHNPWPXDQLBP-ZDUSSCGKSA-N -1 1 299.374 2.557 20 0 CFADMM C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1nc(C(=O)[O-])co1 ZINC000568062907 383352416 /nfs/dbraw/zinc/35/24/16/383352416.db2.gz UVXKGYCTJIYOTC-DGCLKSJQSA-N -1 1 286.331 2.751 20 0 CFADMM CCCC[C@H](CC)CC(=O)N[C@H](CCC)c1nn[n-]n1 ZINC000467651930 383354852 /nfs/dbraw/zinc/35/48/52/383354852.db2.gz YEJLAUIJMFQXHJ-NWDGAFQWSA-N -1 1 281.404 2.764 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])C1=Cc2ccccc2OC1 ZINC000340330019 383413097 /nfs/dbraw/zinc/41/30/97/383413097.db2.gz XVMRACWUZBWHTE-UHFFFAOYSA-N -1 1 285.274 2.946 20 0 CFADMM O=S(=O)([N-]C1CCCC1)c1nc2ccccc2s1 ZINC000568082365 383356278 /nfs/dbraw/zinc/35/62/78/383356278.db2.gz CEWTUTMOEOWGJQ-UHFFFAOYSA-N -1 1 282.390 2.517 20 0 CFADMM CCc1nc(S[C@@H](C)c2noc(C)n2)[n-]c(=O)c1C 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CC1=CCN(C(=O)N=c2[n-]sc3ccccc32)CC1 ZINC000640343040 383766814 /nfs/dbraw/zinc/76/68/14/383766814.db2.gz SFNZDYARAXYJGY-UHFFFAOYSA-N -1 1 273.361 2.902 20 0 CFADMM C[C@@H]1CCN(C(=O)N=c2[n-]sc3ccccc32)C[C@@H]1F ZINC000640340861 383766821 /nfs/dbraw/zinc/76/68/21/383766821.db2.gz APVRWELCAYUTIQ-KOLCDFICSA-N -1 1 293.367 2.930 20 0 CFADMM C[C@H]1CCCN1C(=O)N=c1[n-]sc2ccccc21 ZINC000640341515 383766951 /nfs/dbraw/zinc/76/69/51/383766951.db2.gz UTMMRDFKGDWNNI-VIFPVBQESA-N -1 1 261.350 2.734 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)N[C@H]1CC=CCC1 ZINC000640341658 383767196 /nfs/dbraw/zinc/76/71/96/383767196.db2.gz WIKWQGVOYAEDFO-JTQLQIEISA-N -1 1 273.361 2.948 20 0 CFADMM CC(C)(C)c1ncc(CNCc2ccc(C(=O)[O-])cc2)cn1 ZINC000263447636 383667712 /nfs/dbraw/zinc/66/77/12/383667712.db2.gz YHJKFWNJZKCBIB-UHFFFAOYSA-N -1 1 299.374 2.762 20 0 CFADMM C[C@@H](CN=c1nc(C(F)(F)F)[n-]s1)CC(F)F ZINC000645307404 383668076 /nfs/dbraw/zinc/66/80/76/383668076.db2.gz PSCJRPSWPYCCFR-SCSAIBSYSA-N -1 1 275.246 2.682 20 0 CFADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1c([O-])cccc1F ZINC000528900620 383672931 /nfs/dbraw/zinc/67/29/31/383672931.db2.gz IEXQQQZEABVPGP-SREGZZRCSA-N -1 1 267.300 2.529 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)o2)c1 ZINC000436503708 383824202 /nfs/dbraw/zinc/82/42/02/383824202.db2.gz IQLZFGOUIGJXJS-UHFFFAOYSA-N -1 1 295.678 2.678 20 0 CFADMM CCc1cc(=O)[n-]c(SC[C@H]2CCC(C)(C)O2)n1 ZINC000436212242 383789134 /nfs/dbraw/zinc/78/91/34/383789134.db2.gz UFKIAHKLLPWKHK-SNVBAGLBSA-N -1 1 268.382 2.794 20 0 CFADMM CSc1ccc([O-])c(C(=O)N2OC3CCC2CC3)c1 ZINC000636403811 383797177 /nfs/dbraw/zinc/79/71/77/383797177.db2.gz LZSYNZVJRIBJLJ-UHFFFAOYSA-N -1 1 279.361 2.813 20 0 CFADMM O=C(c1cncc([O-])c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000264922199 383801862 /nfs/dbraw/zinc/80/18/62/383801862.db2.gz KILWZWSFCZLNOZ-LLVKDONJSA-N -1 1 286.306 2.556 20 0 CFADMM O=C(NC[C@H](O)C1CCCCC1)c1ccc(Cl)cc1[O-] ZINC000436568282 383839522 /nfs/dbraw/zinc/83/95/22/383839522.db2.gz WORARLWPCVIIQF-AWEZNQCLSA-N -1 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267.373 2.621 20 0 CFADMM CC1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCC1 ZINC000334315122 520230806 /nfs/dbraw/zinc/23/08/06/520230806.db2.gz NDMPSVJLDQCVRX-UHFFFAOYSA-N -1 1 271.320 2.911 20 0 CFADMM CC1CC([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000361978731 520907674 /nfs/dbraw/zinc/90/76/74/520907674.db2.gz MQUKUHVEQQTJED-UHFFFAOYSA-N -1 1 277.748 2.556 20 0 CFADMM CCCCc1noc(CN2CCCC[C@H]2CCC(=O)[O-])n1 ZINC000050924329 521332042 /nfs/dbraw/zinc/33/20/42/521332042.db2.gz VJWXCRPPLWUYIZ-LBPRGKRZSA-N -1 1 295.383 2.632 20 0 CFADMM CCOc1ccccc1CS(=O)(=O)c1ccc([O-])cc1 ZINC000049489095 521506993 /nfs/dbraw/zinc/50/69/93/521506993.db2.gz KJHMSNGKFMKKQS-UHFFFAOYSA-N -1 1 292.356 2.765 20 0 CFADMM COc1cc(OC)cc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000340328527 522856673 /nfs/dbraw/zinc/85/66/73/522856673.db2.gz HQTLGJBPWVJFHH-UHFFFAOYSA-N -1 1 291.278 2.801 20 0 CFADMM CN(Cc1cc(Cl)ccc1F)C(=O)c1cncc([O-])c1 ZINC000335084856 523175823 /nfs/dbraw/zinc/17/58/23/523175823.db2.gz LFZVZIDEXYYMTE-UHFFFAOYSA-N -1 1 294.713 2.852 20 0 CFADMM CO[C@@H](C)CCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000360841591 523382355 /nfs/dbraw/zinc/38/23/55/523382355.db2.gz IFQUETBAYWRULR-JTQLQIEISA-N -1 1 289.335 2.536 20 0 CFADMM Cc1cccc(C)c1CS(=O)(=O)c1ccc([O-])cc1 ZINC000163962230 524264524 /nfs/dbraw/zinc/26/45/24/524264524.db2.gz MTWIGAVJDYYESE-UHFFFAOYSA-N -1 1 276.357 2.983 20 0 CFADMM C[C@H]1COCC[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000314520147 524729944 /nfs/dbraw/zinc/72/99/44/524729944.db2.gz GIFDUJXBJUEKKF-NHYWBVRUSA-N -1 1 285.343 2.700 20 0 CFADMM C[C@H]1N(C(=O)c2cc(F)ccc2[O-])CCC12CCOCC2 ZINC000336462345 525001466 /nfs/dbraw/zinc/00/14/66/525001466.db2.gz YSWUQWBCSIXPFH-LLVKDONJSA-N -1 1 293.338 2.563 20 0 CFADMM C[C@@H]1C[C@@H](C)N1C(=O)c1ccc(Br)cc1[O-] ZINC000336157925 525218035 /nfs/dbraw/zinc/21/80/35/525218035.db2.gz LYBHSSDFMQLSJT-HTQZYQBOSA-N -1 1 284.153 2.778 20 0 CFADMM Cc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000078776062 525227547 /nfs/dbraw/zinc/22/75/47/525227547.db2.gz NUIGCRJLFLCWEN-UHFFFAOYSA-N -1 1 299.374 2.937 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cn1 ZINC000335840513 525607668 /nfs/dbraw/zinc/60/76/68/525607668.db2.gz MFPJEOGDIRNCLL-UHFFFAOYSA-N -1 1 280.324 2.638 20 0 CFADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccccc1 ZINC000340673709 525633448 /nfs/dbraw/zinc/63/34/48/525633448.db2.gz KDKOXYVHLVPPMI-UHFFFAOYSA-N -1 1 287.344 2.672 20 0 CFADMM Cc1cnc(C(=O)N2CCC[C@H]2C(C)(C)C)c([O-])c1 ZINC000336106433 525969416 /nfs/dbraw/zinc/96/94/16/525969416.db2.gz LPUXSIHOUCJWRU-LBPRGKRZSA-N -1 1 262.353 2.746 20 0 CFADMM C[C@H](C(=O)[O-])N(Cc1cc2ccccc2o1)C1CC1 ZINC000263357436 526182384 /nfs/dbraw/zinc/18/23/84/526182384.db2.gz SFBKIIIKTGPSLW-SNVBAGLBSA-N -1 1 259.305 2.870 20 0 CFADMM O=C(NCCCn1ccc2ccccc21)c1cncc([O-])c1 ZINC000171909956 526284658 /nfs/dbraw/zinc/28/46/58/526284658.db2.gz AZNAPIZPJQOIIS-UHFFFAOYSA-N -1 1 295.342 2.562 20 0 CFADMM Cc1csc(C(C)(C)NC(=O)c2ccc([O-])cc2F)n1 ZINC000181981636 526321333 /nfs/dbraw/zinc/32/13/33/526321333.db2.gz IPOLYDNBYVSORX-UHFFFAOYSA-N -1 1 294.351 2.961 20 0 CFADMM O=C(CCCOc1cccnc1)Nc1ccc(F)cc1[O-] ZINC000340331038 526452057 /nfs/dbraw/zinc/45/20/57/526452057.db2.gz RXOPMHIOMCLXTH-UHFFFAOYSA-N -1 1 290.294 2.724 20 0 CFADMM Cc1noc(C)c1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000048818468 526474950 /nfs/dbraw/zinc/47/49/50/526474950.db2.gz JLCBGJNEVRKHTH-UHFFFAOYSA-N -1 1 290.304 2.655 20 0 CFADMM O=C(NCc1c(F)cccc1Cl)c1cncc([O-])c1 ZINC000339879194 526634950 /nfs/dbraw/zinc/63/49/50/526634950.db2.gz LPXIFMXSPFNFPN-UHFFFAOYSA-N -1 1 280.686 2.510 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@@H](F)[C@@H](F)C1 ZINC000334896805 526733074 /nfs/dbraw/zinc/73/30/74/526733074.db2.gz LRICLNFAMVGNKK-BETUJISGSA-N -1 1 277.270 2.677 20 0 CFADMM Cc1nc(CN(C)C(=O)c2ccc([O-])cc2F)cs1 ZINC000226269437 526837873 /nfs/dbraw/zinc/83/78/73/526837873.db2.gz YJEZLVIZVMLEKC-UHFFFAOYSA-N -1 1 280.324 2.568 20 0 CFADMM O=C(C[C@H]1CCCCO1)Nc1ccc([O-])c(F)c1F ZINC000335019171 527163043 /nfs/dbraw/zinc/16/30/43/527163043.db2.gz VRUASXUOYDRZJM-MRVPVSSYSA-N -1 1 271.263 2.568 20 0 CFADMM O=S(=O)([N-]CCC1CCCC1)c1cccc(F)c1F ZINC000337812764 527212823 /nfs/dbraw/zinc/21/28/23/527212823.db2.gz OXVVZVLSENTYDY-UHFFFAOYSA-N -1 1 289.347 2.823 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1occ2c1CCOC2 ZINC000336164831 527235052 /nfs/dbraw/zinc/23/50/52/527235052.db2.gz KSAQTUGURHKQAQ-UHFFFAOYSA-N -1 1 293.706 2.964 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H](O)C1CCCCC1 ZINC000335218326 527235083 /nfs/dbraw/zinc/23/50/83/527235083.db2.gz QOZAXZJDRLQRKO-ZDUSSCGKSA-N -1 1 285.290 2.550 20 0 CFADMM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1cc2ccccc2o1 ZINC000336117053 527239504 /nfs/dbraw/zinc/23/95/04/527239504.db2.gz CIIKGPJEDJBCJK-NWDGAFQWSA-N -1 1 277.345 2.510 20 0 CFADMM O=C(NC1(c2ccccc2)CCCC1)c1cncc([O-])c1 ZINC000339953710 527477413 /nfs/dbraw/zinc/47/74/13/527477413.db2.gz XPLLIHGLTHFQPM-UHFFFAOYSA-N -1 1 282.343 2.987 20 0 CFADMM [O-]c1cccc(CN[C@H](CO)c2ccsc2)c1Cl ZINC000339357863 527583683 /nfs/dbraw/zinc/58/36/83/527583683.db2.gz VXZCOSHJYNUYES-LLVKDONJSA-N -1 1 283.780 2.930 20 0 CFADMM O=C([O-])C[C@H]1CCCN(Cc2ccncc2Cl)CC1 ZINC000299742731 527635441 /nfs/dbraw/zinc/63/54/41/527635441.db2.gz ITEHNFBGDONSIH-NSHDSACASA-N -1 1 282.771 2.812 20 0 CFADMM Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000069497835 527699241 /nfs/dbraw/zinc/69/92/41/527699241.db2.gz VNTKRBFOOAXIJL-QMMMGPOBSA-N -1 1 293.754 2.579 20 0 CFADMM CC(C)[C@](C)(O)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000174443542 527964830 /nfs/dbraw/zinc/96/48/30/527964830.db2.gz IROVMIQNOUIMTE-QGZVFWFLSA-N -1 1 287.359 2.682 20 0 CFADMM CC(C)[C@@](C)(O)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000174443555 528876939 /nfs/dbraw/zinc/87/69/39/528876939.db2.gz IROVMIQNOUIMTE-KRWDZBQOSA-N -1 1 287.359 2.682 20 0 CFADMM CCC[C@@H](NC(=O)[C@H](CC)CC1CCCC1)c1nn[n-]n1 ZINC000413598738 528988547 /nfs/dbraw/zinc/98/85/47/528988547.db2.gz YYTPWSCAOYFSFC-CHWSQXEVSA-N -1 1 293.415 2.764 20 0 CFADMM CC(C)(CNC(=O)c1ccc([O-])cc1F)C1(O)CCCC1 ZINC000456841409 535141096 /nfs/dbraw/zinc/14/10/96/535141096.db2.gz LEAIOIDVSJADPO-UHFFFAOYSA-N -1 1 295.354 2.592 20 0 CFADMM CC(C)[C@H]1C[C@H](CNC(=O)c2ccc([O-])cc2F)CCO1 ZINC000452845047 535259519 /nfs/dbraw/zinc/25/95/19/535259519.db2.gz RQVAVLYDXQUEBI-IAQYHMDHSA-N -1 1 295.354 2.712 20 0 CFADMM CC[C@H]1CCCC[C@@H]1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000452426481 536065398 /nfs/dbraw/zinc/06/53/98/536065398.db2.gz UAACXEGVKJQGOV-GXTWGEPZSA-N -1 1 289.375 2.908 20 0 CFADMM COc1cc(C(=O)NCc2ccco2)cc(Cl)c1[O-] ZINC000357681478 536496260 /nfs/dbraw/zinc/49/62/60/536496260.db2.gz LRRKQHIIJJIMGJ-UHFFFAOYSA-N -1 1 281.695 2.577 20 0 CFADMM O=C(C[C@H]1CC[C@@H](C2CC2)O1)Nc1c([O-])cccc1F ZINC000935100615 649875470 /nfs/dbraw/zinc/87/54/70/649875470.db2.gz QHZXOEIFPHSZJL-MFKMUULPSA-N -1 1 279.311 2.818 20 0 CFADMM CN(CCc1nccs1)C(=O)c1c([O-])cccc1Cl ZINC000753848551 574051341 /nfs/dbraw/zinc/05/13/41/574051341.db2.gz HABWJVHPHHJSSR-UHFFFAOYSA-N -1 1 296.779 2.817 20 0 CFADMM O=C(N[C@@H]1CC=CCC1)c1c([O-])cccc1Cl ZINC000736711006 574068097 /nfs/dbraw/zinc/06/80/97/574068097.db2.gz QYKUMUYEKNYLTC-SECBINFHSA-N -1 1 251.713 2.884 20 0 CFADMM Cc1nn(C)cc1[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000727858476 574068700 /nfs/dbraw/zinc/06/87/00/574068700.db2.gz AIJGPNWBORIMJI-QMMMGPOBSA-N -1 1 293.754 2.579 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000750540407 574069770 /nfs/dbraw/zinc/06/97/70/574069770.db2.gz ZNKNBNFITGUMFY-WDEREUQCSA-N -1 1 295.766 2.544 20 0 CFADMM COc1c(C)cc(CNCc2ccc(C(=O)[O-])o2)cc1C ZINC000737840260 574073481 /nfs/dbraw/zinc/07/34/81/574073481.db2.gz WIKPCAKQSZDYGW-UHFFFAOYSA-N -1 1 289.331 2.893 20 0 CFADMM CCC(CC)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000744770416 574087269 /nfs/dbraw/zinc/08/72/69/574087269.db2.gz YPCMGRYJHCGCIH-UHFFFAOYSA-N -1 1 290.315 2.978 20 0 CFADMM O=C(OCCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000744976164 574095804 /nfs/dbraw/zinc/09/58/04/574095804.db2.gz HOMZNJHRFHLBBE-UHFFFAOYSA-N -1 1 253.056 2.825 20 0 CFADMM CN(C[C@@H]1CCCOC1)C(=O)c1c([O-])cccc1Cl ZINC000730843308 574099911 /nfs/dbraw/zinc/09/99/11/574099911.db2.gz TUCBYNVQUKDMMI-JTQLQIEISA-N -1 1 283.755 2.544 20 0 CFADMM CCCc1nnc([N-]C(=O)c2ncoc2C(C)C)s1 ZINC000731875846 574131846 /nfs/dbraw/zinc/13/18/46/574131846.db2.gz HQDBZZKLJXUGQR-UHFFFAOYSA-N -1 1 280.353 2.854 20 0 CFADMM Cc1cc([N-]C(=O)c2c(C)noc2C(F)(F)F)no1 ZINC000746102209 574133982 /nfs/dbraw/zinc/13/39/82/574133982.db2.gz QOCOXMSYQFLTAA-UHFFFAOYSA-N -1 1 275.186 2.551 20 0 CFADMM Cc1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC000737366648 574137641 /nfs/dbraw/zinc/13/76/41/574137641.db2.gz VEBFWHPMJXWMEE-UHFFFAOYSA-N -1 1 271.255 2.502 20 0 CFADMM Cc1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC000737366648 574137645 /nfs/dbraw/zinc/13/76/45/574137645.db2.gz VEBFWHPMJXWMEE-UHFFFAOYSA-N -1 1 271.255 2.502 20 0 CFADMM O=C([N-]c1cnoc1)c1csc(-c2ccc(O)cc2)n1 ZINC000746190094 574139532 /nfs/dbraw/zinc/13/95/32/574139532.db2.gz FVKVAJBTUHNAMM-UHFFFAOYSA-N -1 1 287.300 2.756 20 0 CFADMM O=C([O-])c1cc(NC(=O)c2cccc3cn[nH]c32)ccc1F ZINC000746355808 574146548 /nfs/dbraw/zinc/14/65/48/574146548.db2.gz HCRHXHMAWKSVCT-UHFFFAOYSA-N -1 1 299.261 2.653 20 0 CFADMM O=C(NCC1CCCCCCC1)c1cncc([O-])c1 ZINC000732274991 574148632 /nfs/dbraw/zinc/14/86/32/574148632.db2.gz PNAPTIWIZXVLRI-UHFFFAOYSA-N -1 1 262.353 2.878 20 0 CFADMM c1c2ccccc2oc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000738420166 574167802 /nfs/dbraw/zinc/16/78/02/574167802.db2.gz XIXCBAVQCHLAJY-UHFFFAOYSA-N -1 1 292.302 2.620 20 0 CFADMM c1c2ccccc2oc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000738420166 574167805 /nfs/dbraw/zinc/16/78/05/574167805.db2.gz XIXCBAVQCHLAJY-UHFFFAOYSA-N -1 1 292.302 2.620 20 0 CFADMM O=C([O-])CCCN[C@H](c1nccs1)c1ccccc1 ZINC000738582231 574184263 /nfs/dbraw/zinc/18/42/63/574184263.db2.gz MSZHNUQBTPBJQU-ZDUSSCGKSA-N -1 1 276.361 2.687 20 0 CFADMM Cc1nc(CN2CCCC[C@@H]2CC(=O)[O-])nc2ccccc12 ZINC000738858436 574187845 /nfs/dbraw/zinc/18/78/45/574187845.db2.gz RTZRZSSSLBVVDB-CYBMUJFWSA-N -1 1 299.374 2.767 20 0 CFADMM C[C@H](CCNc1ccnc2cc(F)ccc21)NC(=O)[O-] ZINC000738909200 574190319 /nfs/dbraw/zinc/19/03/19/574190319.db2.gz RMNNBYQLUYZBSA-SECBINFHSA-N -1 1 277.299 2.832 20 0 CFADMM C[C@@H](c1ccc(F)c(F)c1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739057043 574195634 /nfs/dbraw/zinc/19/56/34/574195634.db2.gz KSJCCSAZLXTNDN-WDEREUQCSA-N -1 1 298.333 2.958 20 0 CFADMM C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739059753 574195652 /nfs/dbraw/zinc/19/56/52/574195652.db2.gz VXPWOYKJCLWVAD-ZJUUUORDSA-N -1 1 284.306 2.615 20 0 CFADMM C[C@H](c1cccc(Cl)c1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739060738 574196253 /nfs/dbraw/zinc/19/62/53/574196253.db2.gz ZQTDLBLRAMGPEK-BXKDBHETSA-N -1 1 268.744 2.743 20 0 CFADMM O=C([O-])[C@H](NCc1ccc(Cl)nc1)c1ccc(F)cc1 ZINC000739500565 574215797 /nfs/dbraw/zinc/21/57/97/574215797.db2.gz PJIXICXQWCFLGF-CYBMUJFWSA-N -1 1 294.713 2.790 20 0 CFADMM CN(C(=O)[O-])[C@H]1CCCN(Cc2ccc3ccccc3n2)C1 ZINC000739585292 574220508 /nfs/dbraw/zinc/22/05/08/574220508.db2.gz PAZKTQPHUOXADZ-HNNXBMFYSA-N -1 1 299.374 2.809 20 0 CFADMM CN(CCNCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000739699677 574223100 /nfs/dbraw/zinc/22/31/00/574223100.db2.gz VDGIXOVANWZPDK-UHFFFAOYSA-N -1 1 277.151 2.693 20 0 CFADMM CN(C(=O)[O-])[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000739587200 574222539 /nfs/dbraw/zinc/22/25/39/574222539.db2.gz UXZZFHDHZJUOHH-BOSPYUDASA-N -1 1 274.364 2.774 20 0 CFADMM CN(C(=O)[O-])[C@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000739587200 574222540 /nfs/dbraw/zinc/22/25/40/574222540.db2.gz UXZZFHDHZJUOHH-BOSPYUDASA-N -1 1 274.364 2.774 20 0 CFADMM CN(C[C@@H]1CCN(Cc2ccc(Cl)s2)C1)C(=O)[O-] ZINC000739666740 574222983 /nfs/dbraw/zinc/22/29/83/574222983.db2.gz UMZJNGNTWZCYBN-VIFPVBQESA-N -1 1 288.800 2.833 20 0 CFADMM Cc1ccsc1CCCC(=O)[N-]OCC(F)(F)F ZINC000747975727 574223870 /nfs/dbraw/zinc/22/38/70/574223870.db2.gz PLMOEIITGHBMCX-UHFFFAOYSA-N -1 1 281.299 2.989 20 0 CFADMM O=C([O-])[C@@H](NCc1ccc(Cl)nc1)c1ccccc1F ZINC000756332658 574225403 /nfs/dbraw/zinc/22/54/03/574225403.db2.gz LEKOQUCTGHDTNS-ZDUSSCGKSA-N -1 1 294.713 2.790 20 0 CFADMM O=C([O-])N1CC[C@@H](CN2CCCC[C@@H]2c2nccs2)C1 ZINC000740500769 574251645 /nfs/dbraw/zinc/25/16/45/574251645.db2.gz RGDNPHJWLOHDNH-NWDGAFQWSA-N -1 1 295.408 2.670 20 0 CFADMM Cc1nsc([N-]C(=O)c2sc(Cl)nc2C)n1 ZINC000748553607 574257788 /nfs/dbraw/zinc/25/77/88/574257788.db2.gz ZRNOWBWIYCNCLH-UHFFFAOYSA-N -1 1 274.758 2.517 20 0 CFADMM CCCCO[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)C1(C)C ZINC000748744464 574264336 /nfs/dbraw/zinc/26/43/36/574264336.db2.gz OJSCWDOFUJBWAH-RKDXNWHRSA-N -1 1 267.291 2.649 20 0 CFADMM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)C(C)(C)C ZINC000734498724 574289957 /nfs/dbraw/zinc/28/99/57/574289957.db2.gz UUAFXNBGEZCNDB-VIFPVBQESA-N -1 1 291.363 2.925 20 0 CFADMM C[C@@H]1C[C@@H]1c1ccc(C[N-]C(=O)C(F)(F)C(F)F)o1 ZINC000749354857 574290987 /nfs/dbraw/zinc/29/09/87/574290987.db2.gz ZZMKFOVGNNXSON-SVRRBLITSA-N -1 1 279.233 2.920 20 0 CFADMM O=C([N-]C1(c2ccccc2)CC1)C(F)(F)C(F)F ZINC000749371629 574291744 /nfs/dbraw/zinc/29/17/44/574291744.db2.gz NFWQRPMLXIFWIU-UHFFFAOYSA-N -1 1 261.218 2.692 20 0 CFADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000735397522 574323294 /nfs/dbraw/zinc/32/32/94/574323294.db2.gz CKQUVNWIZJDHIM-MRXNPFEDSA-N -1 1 296.378 2.588 20 0 CFADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000735397522 574323296 /nfs/dbraw/zinc/32/32/96/574323296.db2.gz CKQUVNWIZJDHIM-MRXNPFEDSA-N -1 1 296.378 2.588 20 0 CFADMM CCS[C@H]1CCCC[C@H]1[N-]C(=O)C(F)(F)F ZINC000750145094 574327738 /nfs/dbraw/zinc/32/77/38/574327738.db2.gz SRQZWRQVFFOERT-SFYZADRCSA-N -1 1 255.305 2.729 20 0 CFADMM O=C(NCCNc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000735930607 574343217 /nfs/dbraw/zinc/34/32/17/574343217.db2.gz JRACHNQCICTKMK-UHFFFAOYSA-N -1 1 290.750 2.888 20 0 CFADMM CC(C)c1ccc(Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000735928627 574343309 /nfs/dbraw/zinc/34/33/09/574343309.db2.gz NHFUMDQYSFXPJQ-UHFFFAOYSA-N -1 1 281.323 2.524 20 0 CFADMM CC(C)c1ccc(Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000735928627 574343311 /nfs/dbraw/zinc/34/33/11/574343311.db2.gz NHFUMDQYSFXPJQ-UHFFFAOYSA-N -1 1 281.323 2.524 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ncccc2C)c1 ZINC000750517859 574344754 /nfs/dbraw/zinc/34/47/54/574344754.db2.gz SNFUJFZZRNFOBV-UHFFFAOYSA-N -1 1 299.326 2.698 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc[nH]c2C)c1 ZINC000750526199 574345638 /nfs/dbraw/zinc/34/56/38/574345638.db2.gz LBNFOVILLQPUMS-UHFFFAOYSA-N -1 1 287.315 2.631 20 0 CFADMM CC1(C)CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000736211251 574355026 /nfs/dbraw/zinc/35/50/26/574355026.db2.gz NOTGVZFRIUPKIZ-UHFFFAOYSA-N -1 1 298.803 2.603 20 0 CFADMM CC1(C)CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000736211251 574355029 /nfs/dbraw/zinc/35/50/29/574355029.db2.gz NOTGVZFRIUPKIZ-UHFFFAOYSA-N -1 1 298.803 2.603 20 0 CFADMM C[C@@H]1CCC[C@H](CCNc2cccc(-c3nnn[n-]3)n2)C1 ZINC000736247138 574357432 /nfs/dbraw/zinc/35/74/32/574357432.db2.gz AIFIKSDVKRZAMW-VXGBXAGGSA-N -1 1 286.383 2.890 20 0 CFADMM C[C@@H]1CCC[C@H](CCNc2cccc(-c3nn[n-]n3)n2)C1 ZINC000736247138 574357434 /nfs/dbraw/zinc/35/74/34/574357434.db2.gz AIFIKSDVKRZAMW-VXGBXAGGSA-N -1 1 286.383 2.890 20 0 CFADMM O=C(NCCNc1ccccc1)c1c([O-])cccc1Cl ZINC000743461299 574365756 /nfs/dbraw/zinc/36/57/56/574365756.db2.gz RWBJHQLHEHERRF-UHFFFAOYSA-N -1 1 290.750 2.888 20 0 CFADMM Cc1cnc(CNC(=O)c2c([O-])cccc2Cl)s1 ZINC000743712193 574371079 /nfs/dbraw/zinc/37/10/79/574371079.db2.gz MZEJRMBDHPYSCS-UHFFFAOYSA-N -1 1 282.752 2.741 20 0 CFADMM O=C(NCCOC1CCC1)c1ccc2ccccc2c1[O-] ZINC000743748161 574371517 /nfs/dbraw/zinc/37/15/17/574371517.db2.gz WAIRWIYZGWKOFJ-UHFFFAOYSA-N -1 1 285.343 2.844 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)CC(C)C ZINC000752224144 574389032 /nfs/dbraw/zinc/38/90/32/574389032.db2.gz FQHKVUBKWULIDG-JTQLQIEISA-N -1 1 279.384 2.778 20 0 CFADMM CSc1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821990811 607310750 /nfs/dbraw/zinc/31/07/50/607310750.db2.gz WNHBLTKUKWUDJA-UHFFFAOYSA-N -1 1 287.348 2.794 20 0 CFADMM CSc1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000821990811 607310751 /nfs/dbraw/zinc/31/07/51/607310751.db2.gz WNHBLTKUKWUDJA-UHFFFAOYSA-N -1 1 287.348 2.794 20 0 CFADMM CC[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1 ZINC000900123080 620639598 /nfs/dbraw/zinc/63/95/98/620639598.db2.gz HDJNNHXJJBTFBK-CQSZACIVSA-N -1 1 297.358 2.941 20 0 CFADMM O=C([O-])C[C@@H]1CCCN(Cc2cc(F)c(F)c(F)c2)C1 ZINC000086757410 598151239 /nfs/dbraw/zinc/15/12/39/598151239.db2.gz AZKXXMKLNMMYTP-VIFPVBQESA-N -1 1 287.281 2.791 20 0 CFADMM O=C([O-])c1cccc(CNCc2ccc(Cl)cn2)c1 ZINC000821552282 598205417 /nfs/dbraw/zinc/20/54/17/598205417.db2.gz FPHRVGOBVCLOGT-UHFFFAOYSA-N -1 1 276.723 2.723 20 0 CFADMM O=C([O-])C[C@H]1CCCCN1Cc1cccc(Cl)n1 ZINC000833207819 600822936 /nfs/dbraw/zinc/82/29/36/600822936.db2.gz QZJWCIXAHRAZDW-LLVKDONJSA-N -1 1 268.744 2.564 20 0 CFADMM C[C@@H]1CCC[C@H](C)N1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000020342890 599711988 /nfs/dbraw/zinc/71/19/88/599711988.db2.gz SGWKBYXBMGRDPF-TXEJJXNPSA-N -1 1 290.363 2.586 20 0 CFADMM Fc1ccc(Sc2cccc(-c3nnn[n-]3)n2)cc1F ZINC000095163599 607895275 /nfs/dbraw/zinc/89/52/75/607895275.db2.gz RAZPGGKZZSJAFQ-UHFFFAOYSA-N -1 1 291.286 2.691 20 0 CFADMM Fc1ccc(Sc2cccc(-c3nn[n-]n3)n2)cc1F ZINC000095163599 607895276 /nfs/dbraw/zinc/89/52/76/607895276.db2.gz RAZPGGKZZSJAFQ-UHFFFAOYSA-N -1 1 291.286 2.691 20 0 CFADMM Cc1ccsc1CNCc1ccc(C(=O)[O-])o1 ZINC000094875272 600523647 /nfs/dbraw/zinc/52/36/47/600523647.db2.gz RLPYLCHGUUGIIJ-UHFFFAOYSA-N -1 1 251.307 2.638 20 0 CFADMM CC(C)C[C@H](CNC(=O)c1ccc(O)c(Cl)c1)C(=O)[O-] ZINC000094701752 600774300 /nfs/dbraw/zinc/77/43/00/600774300.db2.gz XXVNMGIKQUBXOF-SNVBAGLBSA-N -1 1 299.754 2.522 20 0 CFADMM CC(C)CN(CCC(=O)[O-])C/C(Cl)=C/Cl ZINC000826875653 601054425 /nfs/dbraw/zinc/05/44/25/601054425.db2.gz GOXFVRUHJXJOEO-UITAMQMPSA-N -1 1 254.157 2.738 20 0 CFADMM Cc1cc(C)cc(OCCCN2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000832879214 601440482 /nfs/dbraw/zinc/44/04/82/601440482.db2.gz ZPVRPTLXOCQUKA-MRXNPFEDSA-N -1 1 295.354 2.571 20 0 CFADMM CC[C@@H](C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1)N(CC)CC ZINC000828603557 601466622 /nfs/dbraw/zinc/46/66/22/601466622.db2.gz MBWKSEUIYRZUSE-MNOVXSKESA-N -1 1 297.351 2.702 20 0 CFADMM CC(C)CCc1nc(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)cs1 ZINC000826860768 601521293 /nfs/dbraw/zinc/52/12/93/601521293.db2.gz GQCRADDRNWOKIP-AAEUAGOBSA-N -1 1 296.436 2.884 20 0 CFADMM C[C@H]1CN(Cc2csc(-c3ccco3)n2)C[C@H]1C(=O)[O-] ZINC000251876015 601533074 /nfs/dbraw/zinc/53/30/74/601533074.db2.gz UJZCVRFMTALLEV-GXSJLCMTSA-N -1 1 292.360 2.556 20 0 CFADMM C[C@H]1CN(Cc2coc(-c3cccs3)n2)C[C@H]1C(=O)[O-] ZINC000251766576 601537985 /nfs/dbraw/zinc/53/79/85/601537985.db2.gz MCXISRAHPDSUAV-GXSJLCMTSA-N -1 1 292.360 2.556 20 0 CFADMM Cc1ccc(SCCN2CC[C@@](F)(C(=O)[O-])C2)cc1C ZINC000832958297 601550811 /nfs/dbraw/zinc/55/08/11/601550811.db2.gz YYXMWOQWUZOHLG-HNNXBMFYSA-N -1 1 297.395 2.894 20 0 CFADMM C[C@@H](NCC(C)(C)C(=O)[O-])c1ncc(C(C)(C)C)o1 ZINC000827735012 601645946 /nfs/dbraw/zinc/64/59/46/601645946.db2.gz OIALTUXDVUBNQG-SECBINFHSA-N -1 1 268.357 2.734 20 0 CFADMM c1ccc(CSCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000095168664 607531656 /nfs/dbraw/zinc/53/16/56/607531656.db2.gz JBKCFYBLNPTOJP-UHFFFAOYSA-N -1 1 283.360 2.695 20 0 CFADMM c1ccc(CSCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000095168664 607531657 /nfs/dbraw/zinc/53/16/57/607531657.db2.gz JBKCFYBLNPTOJP-UHFFFAOYSA-N -1 1 283.360 2.695 20 0 CFADMM C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739057742 601966685 /nfs/dbraw/zinc/96/66/85/601966685.db2.gz NVPOOHVXSOHDNT-SMDDNHRTSA-N -1 1 280.343 2.961 20 0 CFADMM CCC[C@@H](CN1Cc2ccc(C(=O)[O-])cc2C1)OC ZINC000901647284 620880830 /nfs/dbraw/zinc/88/08/30/620880830.db2.gz DYSMYCFWXJJCSB-AWEZNQCLSA-N -1 1 263.337 2.516 20 0 CFADMM O=C([O-])N1CCc2cccc(CNCc3cccc(O)c3)c21 ZINC000832086184 603858155 /nfs/dbraw/zinc/85/81/55/603858155.db2.gz BTHJWYWRIIURFD-UHFFFAOYSA-N -1 1 298.342 2.723 20 0 CFADMM C[C@@H]1CCCC[C@@H]1CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900371621 620666266 /nfs/dbraw/zinc/66/62/66/620666266.db2.gz FOXVGMMSNPCERZ-ZYHUDNBSSA-N -1 1 289.379 2.616 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1 ZINC000825264458 604233662 /nfs/dbraw/zinc/23/36/62/604233662.db2.gz KIXXLGRDGMBRIQ-ZYHUDNBSSA-N -1 1 297.786 2.603 20 0 CFADMM O=C([O-])c1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1F ZINC000833156815 604297298 /nfs/dbraw/zinc/29/72/98/604297298.db2.gz FFIDKUZLWNJCJN-UHFFFAOYSA-N -1 1 299.261 2.653 20 0 CFADMM C[C@@H](NCc1ccc(C(=O)[O-])o1)c1ccc2c(c1)OCO2 ZINC000071380911 604330872 /nfs/dbraw/zinc/33/08/72/604330872.db2.gz TXXODMPXKJCCQX-SECBINFHSA-N -1 1 289.287 2.557 20 0 CFADMM CCc1oc(C(=O)[O-])cc1CN(CC)Cc1ccncc1 ZINC000833678120 604479593 /nfs/dbraw/zinc/47/95/93/604479593.db2.gz ITAIVROVTLCHOU-UHFFFAOYSA-N -1 1 288.347 2.957 20 0 CFADMM CC(C)N(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccco1 ZINC000833496264 604530683 /nfs/dbraw/zinc/53/06/83/604530683.db2.gz CPRCRCBPPBMXPM-UHFFFAOYSA-N -1 1 262.309 2.717 20 0 CFADMM CCc1nc(S[C@H](C)c2cc(C)c(C(=O)[O-])o2)n[nH]1 ZINC000830335450 604709643 /nfs/dbraw/zinc/70/96/43/604709643.db2.gz QJSSTBYOYNJJJM-SSDOTTSWSA-N -1 1 281.337 2.820 20 0 CFADMM CCc1n[nH]c(S[C@H](C)c2cc(C)c(C(=O)[O-])o2)n1 ZINC000830335450 604709644 /nfs/dbraw/zinc/70/96/44/604709644.db2.gz QJSSTBYOYNJJJM-SSDOTTSWSA-N -1 1 281.337 2.820 20 0 CFADMM C[C@@H](NC[C@H]1CCCCN1C(=O)[O-])c1cccnc1Cl ZINC000825486129 604797165 /nfs/dbraw/zinc/79/71/65/604797165.db2.gz VEWZOONSKAHGQF-GHMZBOCLSA-N -1 1 297.786 2.918 20 0 CFADMM CC(C)(C)CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833422590 604866304 /nfs/dbraw/zinc/86/63/04/604866304.db2.gz JDHTYWIRCQWZAC-UHFFFAOYSA-N -1 1 275.308 2.636 20 0 CFADMM Cc1cc(N2CC[C@@H](NC(=O)[O-])C2)c2cc(F)ccc2n1 ZINC000830078847 604907109 /nfs/dbraw/zinc/90/71/09/604907109.db2.gz PLAGNLYIIVYPGN-LLVKDONJSA-N -1 1 289.310 2.529 20 0 CFADMM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(F)c(F)c1 ZINC000827718530 604986062 /nfs/dbraw/zinc/98/60/62/604986062.db2.gz UYRQTOFULUTLMJ-XPTSAGLGSA-N -1 1 292.285 2.836 20 0 CFADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833605691 605117090 /nfs/dbraw/zinc/11/70/90/605117090.db2.gz KRAZMAKGURYWSR-DTWKUNHWSA-N -1 1 290.285 2.876 20 0 CFADMM O=C([O-])N[C@@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC000832364556 605274963 /nfs/dbraw/zinc/27/49/63/605274963.db2.gz AYYSGICFTPBWJG-GFCCVEGCSA-N -1 1 274.320 2.665 20 0 CFADMM O=C([O-])N1CCCN(Cc2cc3ccccc3o2)CC1 ZINC000832015771 605275391 /nfs/dbraw/zinc/27/53/91/605275391.db2.gz YZZIQUIHJRUGQG-UHFFFAOYSA-N -1 1 274.320 2.619 20 0 CFADMM O=C([O-])Nc1cccc(CN2CCOC3(CCC3)C2)c1 ZINC000834268532 605335082 /nfs/dbraw/zinc/33/50/82/605335082.db2.gz HVYPDUTVHIDTQP-UHFFFAOYSA-N -1 1 276.336 2.531 20 0 CFADMM C[C@H]1CCC[C@@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833610013 605367598 /nfs/dbraw/zinc/36/75/98/605367598.db2.gz USWPBBIQXLOVND-IUCAKERBSA-N -1 1 287.319 2.636 20 0 CFADMM O=C([O-])N1CCCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000834110500 605477870 /nfs/dbraw/zinc/47/78/70/605477870.db2.gz RFWCBHOHXLMSBF-IWQZZHSRSA-N -1 1 278.327 2.525 20 0 CFADMM Cc1nc([C@H](C)N[C@H](CNC(=O)[O-])CC(C)C)cs1 ZINC000830708766 605479007 /nfs/dbraw/zinc/47/90/07/605479007.db2.gz CSKDZCJTJOEMLK-ONGXEEELSA-N -1 1 285.413 2.784 20 0 CFADMM O=C([O-])N1CCC[C@@H]1C1CCN(Cc2ccoc2)CC1 ZINC000834110769 605496107 /nfs/dbraw/zinc/49/61/07/605496107.db2.gz YAPYBXQTWIVRGC-CQSZACIVSA-N -1 1 278.352 2.634 20 0 CFADMM Cc1nc([C@H](C)NCCN(C(=O)[O-])C2CC2)c(C)s1 ZINC000830709515 605498319 /nfs/dbraw/zinc/49/83/19/605498319.db2.gz KRPSCLBNGUYIOT-QMMMGPOBSA-N -1 1 283.397 2.553 20 0 CFADMM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1Cc1cncs1 ZINC000834107276 605558034 /nfs/dbraw/zinc/55/80/34/605558034.db2.gz LZXKXNXQYZFAPK-QWHCGFSZSA-N -1 1 295.408 2.640 20 0 CFADMM O=C([O-])NC[C@H]1CCCCN1Cc1cnc2ccccc2c1 ZINC000834222091 605559827 /nfs/dbraw/zinc/55/98/27/605559827.db2.gz YEELKLIOHQBRJX-OAHLLOKOSA-N -1 1 299.374 2.857 20 0 CFADMM O=C([O-])N1CC[C@H](CN2CCc3ccc(Cl)cc3C2)C1 ZINC000834079045 605659082 /nfs/dbraw/zinc/65/90/82/605659082.db2.gz KGPTTZPKNSHLMH-LLVKDONJSA-N -1 1 294.782 2.698 20 0 CFADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833603534 605731019 /nfs/dbraw/zinc/73/10/19/605731019.db2.gz BNMCEZSMLWGPJL-WCBMZHEXSA-N -1 1 290.285 2.876 20 0 CFADMM CC1(C)CN(Cc2cc(C(=O)[O-])ccc2F)CCCO1 ZINC000380542511 605834118 /nfs/dbraw/zinc/83/41/18/605834118.db2.gz WEUIQMOWAHRWQL-UHFFFAOYSA-N -1 1 281.327 2.525 20 0 CFADMM CCOCCN(CC)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833662049 605835599 /nfs/dbraw/zinc/83/55/99/605835599.db2.gz ORSFDTJCZRYODC-UHFFFAOYSA-N -1 1 285.771 2.897 20 0 CFADMM O=C([O-])N[C@@H]1CCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000834182894 605873106 /nfs/dbraw/zinc/87/31/06/605873106.db2.gz LEIXVYWAAGBRDX-RNCFNFMXSA-N -1 1 280.755 2.669 20 0 CFADMM O=C([O-])N1CC[C@@H](N[C@H](c2ccccc2)c2cccnc2)C1 ZINC000834085508 605981673 /nfs/dbraw/zinc/98/16/73/605981673.db2.gz SMXOJALWEWBAKB-HZPDHXFCSA-N -1 1 297.358 2.513 20 0 CFADMM O=C([O-])N[C@@H]1CCC[C@@H]1NCc1c(F)cccc1Cl ZINC000834176033 605982637 /nfs/dbraw/zinc/98/26/37/605982637.db2.gz QYYQNXRUBAHPRV-NWDGAFQWSA-N -1 1 286.734 2.757 20 0 CFADMM CCCCN(CCCC)c1cccc(-c2nnn[n-]2)n1 ZINC000821064916 606425387 /nfs/dbraw/zinc/42/53/87/606425387.db2.gz BRRFUIWBGXYOFX-UHFFFAOYSA-N -1 1 274.372 2.668 20 0 CFADMM CCCCN(CCCC)c1cccc(-c2nn[n-]n2)n1 ZINC000821064916 606425388 /nfs/dbraw/zinc/42/53/88/606425388.db2.gz BRRFUIWBGXYOFX-UHFFFAOYSA-N -1 1 274.372 2.668 20 0 CFADMM CC[C@@H]1CCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820981033 606438505 /nfs/dbraw/zinc/43/85/05/606438505.db2.gz OBCQWKDOUVPQNT-SECBINFHSA-N -1 1 292.774 2.684 20 0 CFADMM CC[C@@H]1CCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820981033 606438507 /nfs/dbraw/zinc/43/85/07/606438507.db2.gz OBCQWKDOUVPQNT-SECBINFHSA-N -1 1 292.774 2.684 20 0 CFADMM CC1(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCCC1 ZINC000820623311 606460232 /nfs/dbraw/zinc/46/02/32/606460232.db2.gz LWIPOPZRPIMJMF-UHFFFAOYSA-N -1 1 278.747 2.660 20 0 CFADMM CC1(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCCC1 ZINC000820623311 606460234 /nfs/dbraw/zinc/46/02/34/606460234.db2.gz LWIPOPZRPIMJMF-UHFFFAOYSA-N -1 1 278.747 2.660 20 0 CFADMM C[C@H]1CCC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820696560 606488630 /nfs/dbraw/zinc/48/86/30/606488630.db2.gz AUEGSRAIRKIDRT-IUCAKERBSA-N -1 1 292.364 2.664 20 0 CFADMM C[C@H]1CCC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820696560 606488631 /nfs/dbraw/zinc/48/86/31/606488631.db2.gz AUEGSRAIRKIDRT-IUCAKERBSA-N -1 1 292.364 2.664 20 0 CFADMM CCC[C@@H](C)[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000821016632 607129535 /nfs/dbraw/zinc/12/95/35/607129535.db2.gz YCRZLHVSADBNIC-YPMHNXCESA-N -1 1 286.383 2.667 20 0 CFADMM CCC[C@@H](C)[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000821016632 607129536 /nfs/dbraw/zinc/12/95/36/607129536.db2.gz YCRZLHVSADBNIC-YPMHNXCESA-N -1 1 286.383 2.667 20 0 CFADMM Fc1cccc(Oc2nc3ccccc3o2)c1-c1nnn[n-]1 ZINC000826378067 607867238 /nfs/dbraw/zinc/86/72/38/607867238.db2.gz SWTLEMBKCNIPMH-UHFFFAOYSA-N -1 1 297.249 2.939 20 0 CFADMM Fc1cccc(Oc2nc3ccccc3o2)c1-c1nn[n-]n1 ZINC000826378067 607867239 /nfs/dbraw/zinc/86/72/39/607867239.db2.gz SWTLEMBKCNIPMH-UHFFFAOYSA-N -1 1 297.249 2.939 20 0 CFADMM Fc1ccccc1Sc1cccc(-c2nnn[n-]2)n1 ZINC000095167257 607894461 /nfs/dbraw/zinc/89/44/61/607894461.db2.gz DRPBXJMQXGQCEG-UHFFFAOYSA-N -1 1 273.296 2.552 20 0 CFADMM Fc1ccccc1Sc1cccc(-c2nn[n-]n2)n1 ZINC000095167257 607894462 /nfs/dbraw/zinc/89/44/62/607894462.db2.gz DRPBXJMQXGQCEG-UHFFFAOYSA-N -1 1 273.296 2.552 20 0 CFADMM CN(c1cccc(-c2nnn[n-]2)n1)C1CCCCCCC1 ZINC000826004371 607897906 /nfs/dbraw/zinc/89/79/06/607897906.db2.gz UUGOEMNVAYGTIP-UHFFFAOYSA-N -1 1 286.383 2.811 20 0 CFADMM CN(c1cccc(-c2nn[n-]n2)n1)C1CCCCCCC1 ZINC000826004371 607897907 /nfs/dbraw/zinc/89/79/07/607897907.db2.gz UUGOEMNVAYGTIP-UHFFFAOYSA-N -1 1 286.383 2.811 20 0 CFADMM Clc1cccc2[nH]c(-c3ccc(-c4nnn[n-]4)o3)nc21 ZINC000826353340 607974407 /nfs/dbraw/zinc/97/44/07/607974407.db2.gz LJTODUWLHPIZGT-UHFFFAOYSA-N -1 1 286.682 2.656 20 0 CFADMM Clc1cccc2[nH]c(-c3ccc(-c4nn[n-]n4)o3)nc21 ZINC000826353340 607974408 /nfs/dbraw/zinc/97/44/08/607974408.db2.gz LJTODUWLHPIZGT-UHFFFAOYSA-N -1 1 286.682 2.656 20 0 CFADMM CC(C)c1cccc(Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000824347753 607987465 /nfs/dbraw/zinc/98/74/65/607987465.db2.gz MQRZRGKWWDHQAU-UHFFFAOYSA-N -1 1 281.323 2.524 20 0 CFADMM CC(C)c1cccc(Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000824347753 607987466 /nfs/dbraw/zinc/98/74/66/607987466.db2.gz MQRZRGKWWDHQAU-UHFFFAOYSA-N -1 1 281.323 2.524 20 0 CFADMM Cc1cc(NCc2ccc(-c3nn[n-]n3)s2)ccc1F ZINC000826271087 608027403 /nfs/dbraw/zinc/02/74/03/608027403.db2.gz BQGRPCQBOPDPLP-UHFFFAOYSA-N -1 1 289.339 2.988 20 0 CFADMM Fc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1Cl ZINC000095143428 608052944 /nfs/dbraw/zinc/05/29/44/608052944.db2.gz IFDOQNKBXOSZBA-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM CC1(Nc2snc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC000824837160 608178647 /nfs/dbraw/zinc/17/86/47/608178647.db2.gz FPDSHHLTNYEMHP-UHFFFAOYSA-N -1 1 284.776 2.721 20 0 CFADMM CC1(Nc2snc(Cl)c2-c2nn[n-]n2)CCCC1 ZINC000824837160 608178648 /nfs/dbraw/zinc/17/86/48/608178648.db2.gz FPDSHHLTNYEMHP-UHFFFAOYSA-N -1 1 284.776 2.721 20 0 CFADMM c1cc(-c2nn[n-]n2)sc1CNc1ccc2c(c1)COC2 ZINC000826518480 608571266 /nfs/dbraw/zinc/57/12/66/608571266.db2.gz OZTMKJGPQPKNAW-UHFFFAOYSA-N -1 1 299.359 2.571 20 0 CFADMM Cc1ccc2c(c1)CCN2Cc1ccc(-c2nn[n-]n2)s1 ZINC000826293805 609173931 /nfs/dbraw/zinc/17/39/31/609173931.db2.gz BTGJJWCYVOWYAF-UHFFFAOYSA-N -1 1 297.387 2.799 20 0 CFADMM O=C(Cc1ccc(Br)s1)[N-]OC1CCC1 ZINC000836799661 630886175 /nfs/dbraw/zinc/88/61/75/630886175.db2.gz LKEPFBVVZWHBEX-UHFFFAOYSA-N -1 1 290.182 2.653 20 0 CFADMM CC[C@H]1CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC000900743339 620709305 /nfs/dbraw/zinc/70/93/05/620709305.db2.gz RAGHHKNGCNYYKY-NSHDSACASA-N -1 1 289.379 2.712 20 0 CFADMM CC(C)[C@@H]1CCCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900745244 620709467 /nfs/dbraw/zinc/70/94/67/620709467.db2.gz KGLPNVSUESDLTM-ZDUSSCGKSA-N -1 1 289.379 2.710 20 0 CFADMM C[C@H](Cc1ccco1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000042373377 620722690 /nfs/dbraw/zinc/72/26/90/620722690.db2.gz HNRAHOAZDPECQR-SECBINFHSA-N -1 1 279.723 3.000 20 0 CFADMM CC(C)(C)[C@H]1CCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858481336 617623404 /nfs/dbraw/zinc/62/34/04/617623404.db2.gz FRCGIHZRNGJLAT-QMMMGPOBSA-N -1 1 255.749 2.708 20 0 CFADMM CC(C)c1nn(C)cc1-c1cc2nc[nH]c2c(C(=O)[O-])c1 ZINC000901001183 620740136 /nfs/dbraw/zinc/74/01/36/620740136.db2.gz PHNGIGREPGKWIK-UHFFFAOYSA-N -1 1 284.319 2.785 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC(Cc2ccoc2)C1 ZINC000890568438 617660159 /nfs/dbraw/zinc/66/01/59/617660159.db2.gz IOEDXNRRMZHUDW-UHFFFAOYSA-N -1 1 291.734 2.953 20 0 CFADMM O=C(c1c(F)ccc([O-])c1F)N1CC(Cc2ccoc2)C1 ZINC000890574105 617665526 /nfs/dbraw/zinc/66/55/26/617665526.db2.gz VPDABMVGJRPCKL-UHFFFAOYSA-N -1 1 293.269 2.578 20 0 CFADMM Cc1cccc(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000891621186 617688987 /nfs/dbraw/zinc/68/89/87/617688987.db2.gz FOPNJEHLCIDDEM-UHFFFAOYSA-N -1 1 297.358 2.551 20 0 CFADMM O=C([N-]OCc1ccc(C(F)(F)F)cc1)C1CSC1 ZINC000866863019 617919875 /nfs/dbraw/zinc/91/98/75/617919875.db2.gz NDUHYCJVQQMODE-UHFFFAOYSA-N -1 1 291.294 2.616 20 0 CFADMM COc1ccc(C(=O)Nc2ccc(O)cc2C)c([O-])c1 ZINC000080357132 618002133 /nfs/dbraw/zinc/00/21/33/618002133.db2.gz WJQFSUVZENNVMU-UHFFFAOYSA-N -1 1 273.288 2.667 20 0 CFADMM CO[C@H]1CC[C@@H]1N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000889358399 618169445 /nfs/dbraw/zinc/16/94/45/618169445.db2.gz IAQVWOGFFUJKGY-GJZGRUSLSA-N -1 1 285.343 2.795 20 0 CFADMM Cc1ccc([C@@H](C)NCc2cccc(C(=O)[O-])n2)cc1 ZINC000235216748 618211699 /nfs/dbraw/zinc/21/16/99/618211699.db2.gz ZGQQWNZPYHKGLM-GFCCVEGCSA-N -1 1 270.332 2.939 20 0 CFADMM COCc1nc(N2CCC[C@@H](c3ccccc3)C2)cc(=O)[n-]1 ZINC000893970842 618256357 /nfs/dbraw/zinc/25/63/57/618256357.db2.gz NXBPLSZVSRTVCO-CQSZACIVSA-N -1 1 299.374 2.713 20 0 CFADMM Cc1c(NCc2c([O-])ccc(Cl)c2F)cnn1C ZINC000191552741 618271337 /nfs/dbraw/zinc/27/13/37/618271337.db2.gz ZPFWWLDIBCCIEJ-UHFFFAOYSA-N -1 1 269.707 2.839 20 0 CFADMM COc1ccccc1CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000188341993 618301510 /nfs/dbraw/zinc/30/15/10/618301510.db2.gz TXOXUZZJBNLLHU-UHFFFAOYSA-N -1 1 292.722 2.630 20 0 CFADMM O=C([N-]CCCSc1cccs1)C(F)(F)F ZINC000151773946 618373973 /nfs/dbraw/zinc/37/39/73/618373973.db2.gz MXXCZYHCNJIDHI-UHFFFAOYSA-N -1 1 269.313 2.909 20 0 CFADMM CCN(CC(=O)[O-])Cc1ccc(-c2ccccc2)o1 ZINC000901426246 620814971 /nfs/dbraw/zinc/81/49/71/620814971.db2.gz FLIJUVDYHIORGR-UHFFFAOYSA-N -1 1 259.305 2.853 20 0 CFADMM C[C@@H]1CN(Cc2ccc(/C=C/C(=O)[O-])o2)C[C@H](C)S1 ZINC000901429043 620818079 /nfs/dbraw/zinc/81/80/79/620818079.db2.gz QOBLLBGKZHHTMI-SKUMGHAQSA-N -1 1 281.377 2.703 20 0 CFADMM CCc1oc(CN2CCS[C@@H](C)[C@@H]2C)cc1C(=O)[O-] ZINC000901434053 620819211 /nfs/dbraw/zinc/81/92/11/620819211.db2.gz QABKOWWPPXEJGQ-UWVGGRQHSA-N -1 1 283.393 2.866 20 0 CFADMM CCS[C@@H]1CCC[C@@H](Nc2cc(=O)[n-]c(COC)n2)C1 ZINC000892813521 618750328 /nfs/dbraw/zinc/75/03/28/618750328.db2.gz SGPOMTJMBLMYPR-GHMZBOCLSA-N -1 1 297.424 2.805 20 0 CFADMM O=C(Nc1nc(Br)ccc1[O-])C1=CCCCC1 ZINC000194573021 618937783 /nfs/dbraw/zinc/93/77/83/618937783.db2.gz ZRIOGBNGOVCQFJ-UHFFFAOYSA-N -1 1 297.152 2.989 20 0 CFADMM O=C([N-]O[C@@H]1CCCCO1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000162747692 618939956 /nfs/dbraw/zinc/93/99/56/618939956.db2.gz SMFJUADBQRHGGU-SCDSUCTJSA-N -1 1 297.301 2.643 20 0 CFADMM O=C([N-]O[C@@H]1CCCCO1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000162747557 618940071 /nfs/dbraw/zinc/94/00/71/618940071.db2.gz SMFJUADBQRHGGU-VHRBIJSZSA-N -1 1 297.301 2.643 20 0 CFADMM CCCC[C@@H](CC)C(=O)NCc1n[n-]c(=S)n1CC ZINC000067050496 619194268 /nfs/dbraw/zinc/19/42/68/619194268.db2.gz XDLLKIAUCVITCC-SNVBAGLBSA-N -1 1 284.429 2.793 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H]([C@H]2CCCO2)C1 ZINC000894730772 619451868 /nfs/dbraw/zinc/45/18/68/619451868.db2.gz DMYNWLKJWPDBNH-IINYFYTJSA-N -1 1 295.766 2.687 20 0 CFADMM CCCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC ZINC000007154894 619480351 /nfs/dbraw/zinc/48/03/51/619480351.db2.gz DMAOYETXRWNAHQ-WQLSENKSSA-N -1 1 293.344 2.808 20 0 CFADMM C[C@@H]1C[C@@H](Nc2cc(Cl)[n-]c(=O)n2)CCS1 ZINC000896247560 619700613 /nfs/dbraw/zinc/70/06/13/619700613.db2.gz REHLQFVKXSBABR-RQJHMYQMSA-N -1 1 259.762 2.532 20 0 CFADMM Cc1ccc(F)c(OS(=O)(=O)c2cnc(C(C)C)[n-]2)c1 ZINC000080761326 625366263 /nfs/dbraw/zinc/36/62/63/625366263.db2.gz SGUMSJVGNNSWPY-UHFFFAOYSA-N -1 1 298.339 2.748 20 0 CFADMM Cc1ccc(F)c(OS(=O)(=O)c2c[n-]c(C(C)C)n2)c1 ZINC000080761326 625366267 /nfs/dbraw/zinc/36/62/67/625366267.db2.gz SGUMSJVGNNSWPY-UHFFFAOYSA-N -1 1 298.339 2.748 20 0 CFADMM CC(C)c1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cn1 ZINC000928623239 619779870 /nfs/dbraw/zinc/77/98/70/619779870.db2.gz IDDKKHQWYKHHDD-UHFFFAOYSA-N -1 1 298.346 2.830 20 0 CFADMM COC(=O)c1ccc(C(=O)OCc2cc(C)cc(C)c2)[n-]1 ZINC000796343354 619876970 /nfs/dbraw/zinc/87/69/70/619876970.db2.gz AHRMDQYBFWUUJK-UHFFFAOYSA-N -1 1 287.315 2.775 20 0 CFADMM O=C(C[C@H]1CCC2(CCC2)O1)Nc1ccc(F)cc1[O-] ZINC000897014510 619913193 /nfs/dbraw/zinc/91/31/93/619913193.db2.gz LPRGMIMKTSBNGM-LLVKDONJSA-N -1 1 279.311 2.962 20 0 CFADMM C[C@H](OC(=O)c1ccc([O-])cc1F)C(=O)C(C)(C)C ZINC000869464865 619929776 /nfs/dbraw/zinc/92/97/76/619929776.db2.gz ITZOFVXJSFMPCM-QMMMGPOBSA-N -1 1 268.284 2.692 20 0 CFADMM [O-]c1ccc(-c2nc(CCCCF)no2)c(F)c1 ZINC000897207497 619950191 /nfs/dbraw/zinc/95/01/91/619950191.db2.gz HSIUXALBHFKJQT-UHFFFAOYSA-N -1 1 254.236 2.874 20 0 CFADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)CCS1 ZINC000728983878 620048035 /nfs/dbraw/zinc/04/80/35/620048035.db2.gz VUXLYSRIAWTEMG-MRVPVSSYSA-N -1 1 271.769 2.623 20 0 CFADMM CC(C)OC(=O)c1cc(NC(=O)/C=C\C(C)(C)C)n[nH]1 ZINC000888117488 620121408 /nfs/dbraw/zinc/12/14/08/620121408.db2.gz MAXXQNOAJLQCJD-SREVYHEPSA-N -1 1 279.340 2.516 20 0 CFADMM C[C@@H](C(=O)[O-])N(Cc1cc2ccccc2o1)C1CC1 ZINC000263357435 620135372 /nfs/dbraw/zinc/13/53/72/620135372.db2.gz SFBKIIIKTGPSLW-JTQLQIEISA-N -1 1 259.305 2.870 20 0 CFADMM CCCc1nc(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)cs1 ZINC000263344693 620135972 /nfs/dbraw/zinc/13/59/72/620135972.db2.gz OGPSUSYJSOAJFX-MNOVXSKESA-N -1 1 282.409 2.638 20 0 CFADMM Cc1cc2cc(CN(C)[C@H](C)C(=O)[O-])oc2cc1C ZINC000263408595 620141232 /nfs/dbraw/zinc/14/12/32/620141232.db2.gz KQMUCBAHYQTWGW-LLVKDONJSA-N -1 1 261.321 2.955 20 0 CFADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC[C@@H]1C1CC1 ZINC000897885102 620297560 /nfs/dbraw/zinc/29/75/60/620297560.db2.gz RKPXGZIEVMJLTR-OAHLLOKOSA-N -1 1 283.327 2.876 20 0 CFADMM O=C([N-]Oc1ccc(F)cc1)C1CC2(CC2(F)F)C1 ZINC000898576360 620479479 /nfs/dbraw/zinc/47/94/79/620479479.db2.gz MSOJKXMBNJUYGB-UHFFFAOYSA-N -1 1 271.238 2.671 20 0 CFADMM O=C([N-]Oc1ccccc1F)C1C[C@H]2CC[C@@H](C1)S2 ZINC000899197855 620530242 /nfs/dbraw/zinc/53/02/42/620530242.db2.gz UBSIRKYRECJJSE-FGWVZKOKSA-N -1 1 281.352 2.910 20 0 CFADMM Cc1[n-]n(-c2nc3ccccc3o2)c(=O)c1C(C)C ZINC000899346882 620547342 /nfs/dbraw/zinc/54/73/42/620547342.db2.gz ZHBXTNXPWUOPRB-LBPRGKRZSA-N -1 1 257.293 2.823 20 0 CFADMM Cc1[n-]n(-c2cccc(Cl)n2)c(=O)c1C(C)C ZINC000899351067 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620997158 /nfs/dbraw/zinc/99/71/58/620997158.db2.gz BRDXGICQLZPMAB-ZDUSSCGKSA-N -1 1 287.315 2.981 20 0 CFADMM COc1cccc2c1CC[C@H]2NCc1cc(C(=O)[O-])co1 ZINC000902222092 621000611 /nfs/dbraw/zinc/00/06/11/621000611.db2.gz LIMDCOPMUPLOPO-CQSZACIVSA-N -1 1 287.315 2.764 20 0 CFADMM COCc1csc(CNCc2cc(C(=O)[O-])c(C)o2)c1 ZINC000902261591 621009134 /nfs/dbraw/zinc/00/91/34/621009134.db2.gz LBIUBWOWALHMPO-UHFFFAOYSA-N -1 1 295.360 2.784 20 0 CFADMM COc1cc(C)cc(CNCc2ccoc2C(=O)[O-])c1 ZINC000902295515 621024231 /nfs/dbraw/zinc/02/42/31/621024231.db2.gz AQRPKRVECOIJPU-UHFFFAOYSA-N -1 1 275.304 2.585 20 0 CFADMM CCc1noc(CC)c1CNCc1csc(C(=O)[O-])c1 ZINC000902401131 621067541 /nfs/dbraw/zinc/06/75/41/621067541.db2.gz GHTIZMNFPCDJMJ-UHFFFAOYSA-N -1 1 294.376 2.849 20 0 CFADMM Cc1ccc(F)c(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1F ZINC000903603663 621400516 /nfs/dbraw/zinc/40/05/16/621400516.db2.gz YLJFXGMKCOBALI-LBPRGKRZSA-N -1 1 295.329 2.960 20 0 CFADMM COc1ccc(C(=O)[O-])cc1CN1CCS[C@@H](C)[C@H]1C 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CC[C@H](CN[C@@H](CCc1ccccc1)C(F)F)C(=O)[O-] ZINC000903705523 621422714 /nfs/dbraw/zinc/42/27/14/621422714.db2.gz NPJKCUPUFVVTIA-OLZOCXBDSA-N -1 1 285.334 2.953 20 0 CFADMM O=C([O-])C1(CCN2CCOc3cccc(F)c3C2)CCC1 ZINC000903707579 621423607 /nfs/dbraw/zinc/42/36/07/621423607.db2.gz ZJFWRBZYSJPRIC-UHFFFAOYSA-N -1 1 293.338 2.665 20 0 CFADMM CCc1ncc(CNC2(C(=O)[O-])CCCCCC2)o1 ZINC000903883311 621464095 /nfs/dbraw/zinc/46/40/95/621464095.db2.gz VOMIMOHKQQDFLG-UHFFFAOYSA-N -1 1 266.341 2.504 20 0 CFADMM C[C@H]1CN(Cc2cncc(C(=O)[O-])c2)Cc2ccccc21 ZINC000903913047 621472021 /nfs/dbraw/zinc/47/20/21/621472021.db2.gz NBGJJDGXGZZDMD-LBPRGKRZSA-N -1 1 282.343 2.899 20 0 CFADMM CC(C)(C)c1nc(CN2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)co1 ZINC000903912568 621472329 /nfs/dbraw/zinc/47/23/29/621472329.db2.gz DINLGTALCLWFHO-ZBEGNZNMSA-N -1 1 292.379 2.659 20 0 CFADMM CCC[C@@H](C)[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903921155 621473528 /nfs/dbraw/zinc/47/35/28/621473528.db2.gz JZOYFRLDHIMXLY-LLVKDONJSA-N -1 1 263.337 2.768 20 0 CFADMM O=C([O-])c1cccc2c1OCC[N@@H+](CCc1ccccc1)C2 ZINC000903921689 621473942 /nfs/dbraw/zinc/47/39/42/621473942.db2.gz PRIVRIQRJRDDME-UHFFFAOYSA-N -1 1 297.354 2.822 20 0 CFADMM O=C([O-])[C@]12C[C@H]1CCCN2Cc1coc(-c2ccccc2)n1 ZINC000903938199 621478057 /nfs/dbraw/zinc/47/80/57/621478057.db2.gz DYCQWYOFRKPQEC-DYVFJYSZSA-N -1 1 298.342 2.781 20 0 CFADMM CCC[C@H](C(=O)[O-])N1Cc2cccc(Cl)c2C1 ZINC000903958137 621479318 /nfs/dbraw/zinc/47/93/18/621479318.db2.gz XKPALUOJECMFJH-GFCCVEGCSA-N -1 1 253.729 2.909 20 0 CFADMM O=C([O-])c1ccc2c(c1)OCCN(CC1=CCCC1)C2 ZINC000903959009 621479790 /nfs/dbraw/zinc/47/97/90/621479790.db2.gz UUAOLYWTPOVWDU-UHFFFAOYSA-N -1 1 273.332 2.690 20 0 CFADMM C[C@@H]1C[C@H](C)N(Cc2ncc(C3CC3)o2)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903953275 621489034 /nfs/dbraw/zinc/48/90/34/621489034.db2.gz QEPVHMHHVHUDPQ-LMCGPQHNSA-N -1 1 292.379 2.872 20 0 CFADMM C[C@H]1CCC[C@@](NCc2cnc(C3CC3)o2)(C(=O)[O-])C1 ZINC000904007263 621505192 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CC(C)=C[C@H]1[C@H](C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1(C)C ZINC000801699780 630466388 /nfs/dbraw/zinc/46/63/88/630466388.db2.gz CCXYKQYISFBEFW-GXTWGEPZSA-N -1 1 298.390 2.519 20 0 CFADMM Cc1ccc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(Cl)n1 ZINC000852729223 634817345 /nfs/dbraw/zinc/81/73/45/634817345.db2.gz ANTOYMCEGCNXSN-SKDRFNHKSA-N -1 1 282.771 2.586 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CCCCC[C@H]1CCO ZINC000803622811 630631713 /nfs/dbraw/zinc/63/17/13/630631713.db2.gz ZVNSVGPWPKLACL-NSHDSACASA-N -1 1 297.782 2.813 20 0 CFADMM O=C([N-]O[C@@H]1CCCCO1)C1(C2CCC2)CCC1 ZINC000836552437 630846519 /nfs/dbraw/zinc/84/65/19/630846519.db2.gz IGFAHTRTYAVBHD-GFCCVEGCSA-N -1 1 253.342 2.531 20 0 CFADMM O=C(N[C@@H]1CCCC1(F)F)c1c([O-])cccc1Cl ZINC000807853502 630913826 /nfs/dbraw/zinc/91/38/26/630913826.db2.gz KLCVSOQHDORDDU-SECBINFHSA-N -1 1 275.682 2.963 20 0 CFADMM CC1(C)C[C@@H]1C(=O)Nc1nc(Br)ccc1[O-] ZINC000121473985 630915899 /nfs/dbraw/zinc/91/58/99/630915899.db2.gz ZFGZIVXXFHNSFT-ZCFIWIBFSA-N -1 1 285.141 2.534 20 0 CFADMM COc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1O ZINC000809802163 631293637 /nfs/dbraw/zinc/29/36/37/631293637.db2.gz QYMJHWLWMQHIBF-UHFFFAOYSA-N -1 1 295.241 2.637 20 0 CFADMM O=C(Nc1c([O-])cccc1F)C1SCCCS1 ZINC000841411442 631401205 /nfs/dbraw/zinc/40/12/05/631401205.db2.gz VALOMNWEOROGGA-UHFFFAOYSA-N -1 1 273.354 2.666 20 0 CFADMM CCN(C(=O)CO[N-]C(=O)CC(C)(C)C)C1CCCCC1 ZINC000842060556 631519394 /nfs/dbraw/zinc/51/93/94/631519394.db2.gz NIBGCHABANYGAC-UHFFFAOYSA-N -1 1 298.427 2.652 20 0 CFADMM Cc1cccc(C)c1NC(=O)CO[N-]C(=O)CC(C)(C)C ZINC000842060318 631519455 /nfs/dbraw/zinc/51/94/55/631519455.db2.gz HGPBSBGXOVTKLV-UHFFFAOYSA-N -1 1 292.379 2.726 20 0 CFADMM CC(C)(C)CC(=O)[N-]OCC(=O)Nc1ccc(Cl)cc1 ZINC000842061546 631519955 /nfs/dbraw/zinc/51/99/55/631519955.db2.gz ZPFDTKKMWIWIOS-UHFFFAOYSA-N -1 1 298.770 2.763 20 0 CFADMM CC(C)C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000043431826 650016292 /nfs/dbraw/zinc/01/62/92/650016292.db2.gz KRIWZZVQTPULLI-WXHSDQCUSA-N -1 1 265.353 2.992 20 0 CFADMM CCN(C[C@@H](C)OC)C(=O)c1c([O-])cccc1Cl ZINC000812778631 631772036 /nfs/dbraw/zinc/77/20/36/631772036.db2.gz MOCXCLNQRNDCKX-SECBINFHSA-N -1 1 271.744 2.543 20 0 CFADMM CC[C@H](C(=O)[N-]OCCOC(C)C)c1ccc(F)cc1 ZINC000812810055 631787723 /nfs/dbraw/zinc/78/77/23/631787723.db2.gz QBPGWXHGZRICRB-AWEZNQCLSA-N -1 1 283.343 2.792 20 0 CFADMM CC(F)(F)C(=O)[N-][C@H](C1CCCC1)C(F)(F)F ZINC000815769005 632319324 /nfs/dbraw/zinc/31/93/24/632319324.db2.gz UEAQTGRPRJRIDC-SSDOTTSWSA-N -1 1 259.218 2.879 20 0 CFADMM CC(C)c1ccc(C(=O)N(C)c2nccn2C)c([O-])c1 ZINC000816347229 632421865 /nfs/dbraw/zinc/42/18/65/632421865.db2.gz RNHQFKCRSCIDEQ-UHFFFAOYSA-N -1 1 273.336 2.526 20 0 CFADMM [O-]c1cccc(CN2CCCC[C@H]2C2OCCO2)c1Cl ZINC000816501672 632472859 /nfs/dbraw/zinc/47/28/59/632472859.db2.gz XBBYFONCRXSCEQ-LBPRGKRZSA-N -1 1 297.782 2.773 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCSC(C)(C)C ZINC000816740523 632518431 /nfs/dbraw/zinc/51/84/31/632518431.db2.gz GKGCHTFPPKLHOY-UHFFFAOYSA-N -1 1 271.386 2.674 20 0 CFADMM CC[C@@H](C)CONC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000816976436 632541036 /nfs/dbraw/zinc/54/10/36/632541036.db2.gz CNMVTHDLZWXZHL-MRVPVSSYSA-N -1 1 287.743 2.762 20 0 CFADMM C[C@@H](CN(C)Cc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000846225712 632668728 /nfs/dbraw/zinc/66/87/28/632668728.db2.gz QWKOXHPPYULZQR-NSHDSACASA-N -1 1 290.388 2.963 20 0 CFADMM O=C([O-])[C@H]1CCCCN1Cc1cncc(C(F)(F)F)c1 ZINC000846224495 632668830 /nfs/dbraw/zinc/66/88/30/632668830.db2.gz OVHDICVFAVBIRJ-LLVKDONJSA-N -1 1 288.269 2.540 20 0 CFADMM CCc1cc(NCc2cccc([O-])c2Cl)nn1C ZINC000817710448 632689544 /nfs/dbraw/zinc/68/95/44/632689544.db2.gz OAUDANCOCIFSFS-UHFFFAOYSA-N -1 1 265.744 2.954 20 0 CFADMM C[C@@H](COCC1CC1)NC(=O)c1c([O-])cccc1Cl ZINC000846527467 632722527 /nfs/dbraw/zinc/72/25/27/632722527.db2.gz KCWNVPICYZTUSN-VIFPVBQESA-N -1 1 283.755 2.591 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@]2(CC2(F)F)C1 ZINC000846575926 632747260 /nfs/dbraw/zinc/74/72/60/632747260.db2.gz BBUPXWLWKPVLEI-CYBMUJFWSA-N -1 1 285.265 2.793 20 0 CFADMM C[C@@H]1CCCN(Cc2ccnc(Cl)c2F)[C@H]1C(=O)[O-] ZINC000818631617 632884658 /nfs/dbraw/zinc/88/46/58/632884658.db2.gz LFZYKDINYIUPLU-LDYMZIIASA-N -1 1 286.734 2.559 20 0 CFADMM O=C(/C=C\[C@H]1CCCO1)Nc1ccc([O-])c(Cl)c1 ZINC000819411422 633152840 /nfs/dbraw/zinc/15/28/40/633152840.db2.gz MXZRPSSQGITOEE-AYYIZTPMSA-N -1 1 267.712 2.719 20 0 CFADMM CC(C)(CO)[C@H](NC(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000848247253 633223618 /nfs/dbraw/zinc/22/36/18/633223618.db2.gz GTWYQZKAQLYPHU-CYBMUJFWSA-N -1 1 297.782 2.573 20 0 CFADMM CCOCc1nnc([N-]Cc2nc(C(C)(C)C)cs2)o1 ZINC000849164951 633575084 /nfs/dbraw/zinc/57/50/84/633575084.db2.gz YEYNMTKIYWGTGX-UHFFFAOYSA-N -1 1 296.396 2.972 20 0 CFADMM CCc1nc(SCc2cnc(Cl)cn2)[n-]c(=O)c1C ZINC000849922153 633765245 /nfs/dbraw/zinc/76/52/45/633765245.db2.gz YWCZUQZRRVYJKY-UHFFFAOYSA-N -1 1 296.783 2.789 20 0 CFADMM C[C@@]1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCCO1 ZINC000885675925 635280148 /nfs/dbraw/zinc/28/01/48/635280148.db2.gz FPXSWIFNYSVFTG-LBPRGKRZSA-N -1 1 273.691 2.692 20 0 CFADMM CC(C)(O)C1CCC(C(=O)[N-]Oc2ccccc2)CC1 ZINC000854536838 635331343 /nfs/dbraw/zinc/33/13/43/635331343.db2.gz WRMZIDFRHKERIG-UHFFFAOYSA-N -1 1 277.364 2.674 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C(F)=CC1CCCCC1 ZINC000854634985 635352355 /nfs/dbraw/zinc/35/23/55/635352355.db2.gz LCXDZVGIQTVFPH-JXMROGBWSA-N -1 1 267.304 2.796 20 0 CFADMM CC1(C)C[C@]1(C)NC(=O)c1c([O-])cccc1Cl ZINC000856136667 635736420 /nfs/dbraw/zinc/73/64/20/635736420.db2.gz NSXLXQOROXSRPI-ZDUSSCGKSA-N -1 1 253.729 2.964 20 0 CFADMM CC(C)(C)OC(=O)CC1(C(=O)[N-]OCC2CCC2)CCC1 ZINC000856341604 635785774 /nfs/dbraw/zinc/78/57/74/635785774.db2.gz GUCSETBJEORSLL-UHFFFAOYSA-N -1 1 297.395 2.736 20 0 CFADMM CC1CCC(O)(CNC(=O)c2c([O-])cccc2Cl)CC1 ZINC000856474523 635820136 /nfs/dbraw/zinc/82/01/36/635820136.db2.gz UKBOMHSYTBHZFK-UHFFFAOYSA-N -1 1 297.782 2.717 20 0 CFADMM CCCO[C@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858403064 636222935 /nfs/dbraw/zinc/22/29/35/636222935.db2.gz SPJOTQCDJABXDY-JTQLQIEISA-N -1 1 285.775 2.621 20 0 CFADMM C[C@H](CCc1cccn1C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858425324 636233108 /nfs/dbraw/zinc/23/31/08/636233108.db2.gz FVLNFWZQRMNFDT-SECBINFHSA-N -1 1 280.759 2.607 20 0 CFADMM O=c1nc(N2C3CCCC2CCC3)cc(Cl)[n-]1 ZINC000858425050 636233204 /nfs/dbraw/zinc/23/32/04/636233204.db2.gz CDWIPVRHIKAKKP-UHFFFAOYSA-N -1 1 253.733 2.747 20 0 CFADMM CCS[C@H]1CC[C@H](N(C)c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858429987 636236817 /nfs/dbraw/zinc/23/68/17/636236817.db2.gz VAHLEUJXVSJIPM-IUCAKERBSA-N -1 1 287.816 2.946 20 0 CFADMM O=c1nc(NCCC[C@H]2CCCC[C@@H]2O)cc(Cl)[n-]1 ZINC000858452364 636247733 /nfs/dbraw/zinc/24/77/33/636247733.db2.gz IAVWFCDPWWGPGZ-ZJUUUORDSA-N -1 1 285.775 2.579 20 0 CFADMM C[C@@H](C[C@H](O)c1cccs1)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858455292 636249140 /nfs/dbraw/zinc/24/91/40/636249140.db2.gz LPMQIZYVGPASLG-YUMQZZPRSA-N -1 1 299.783 2.821 20 0 CFADMM CC(C)[C@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858502922 636273337 /nfs/dbraw/zinc/27/33/37/636273337.db2.gz RWFQSAIGSWVJNS-VIFPVBQESA-N -1 1 255.749 2.708 20 0 CFADMM CC1(C)CCC[C@@](O)(CNc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858506404 636276341 /nfs/dbraw/zinc/27/63/41/636276341.db2.gz UCHQIZZOOVLFEJ-ZDUSSCGKSA-N -1 1 285.775 2.579 20 0 CFADMM CC(C)[C@H]1C[C@@H](CNc2cc(Cl)[n-]c(=O)n2)CCO1 ZINC000858560379 636292270 /nfs/dbraw/zinc/29/22/70/636292270.db2.gz URSVERQXRWTFRR-VHSXEESVSA-N -1 1 285.775 2.699 20 0 CFADMM C[C@]1(CCNc2cc(Cl)[n-]c(=O)n2)C[C@@]1(F)Cl ZINC000858604274 636306510 /nfs/dbraw/zinc/30/65/10/636306510.db2.gz FMVAVVWQCOAZJC-UWVGGRQHSA-N -1 1 280.130 2.952 20 0 CFADMM Cc1ccccc1SC[C@@H](C)COC(=O)c1cn[n-]n1 ZINC000859693349 636654470 /nfs/dbraw/zinc/65/44/70/636654470.db2.gz YRCAJCILBLDCDR-JTQLQIEISA-N -1 1 291.376 2.698 20 0 CFADMM CC(C)(CCN1CCO[C@@H](c2ccsc2)C1)C(=O)[O-] ZINC000859790574 636693332 /nfs/dbraw/zinc/69/33/32/636693332.db2.gz RSJYWJAOWJLXRU-GFCCVEGCSA-N -1 1 283.393 2.622 20 0 CFADMM C[C@H](CN1CC[C@@](F)(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000859811352 636702325 /nfs/dbraw/zinc/70/23/25/636702325.db2.gz NHTKPCBBYZHEME-YGRLFVJLSA-N -1 1 285.746 2.942 20 0 CFADMM C[C@@H](CN1CC[C@@](F)(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000859811349 636703142 /nfs/dbraw/zinc/70/31/42/636703142.db2.gz NHTKPCBBYZHEME-HZMBPMFUSA-N -1 1 285.746 2.942 20 0 CFADMM Cc1ccc2occ(CC(=O)[N-]OCC(F)(F)F)c2c1 ZINC000860202024 636825306 /nfs/dbraw/zinc/82/53/06/636825306.db2.gz REARFYKTEXLCBY-UHFFFAOYSA-N -1 1 287.237 2.894 20 0 CFADMM CCc1cc(Cl)cnc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000861610231 637218100 /nfs/dbraw/zinc/21/81/00/637218100.db2.gz YRSJGUCNYNWLEP-LLVKDONJSA-N -1 1 299.758 2.877 20 0 CFADMM CCc1cc(Cl)cnc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000861610231 637218104 /nfs/dbraw/zinc/21/81/04/637218104.db2.gz YRSJGUCNYNWLEP-LLVKDONJSA-N -1 1 299.758 2.877 20 0 CFADMM CC(=O)CCCCCCNC(=O)c1c([O-])cccc1F ZINC000862079143 637272967 /nfs/dbraw/zinc/27/29/67/637272967.db2.gz URZNTJIWYYWPKL-UHFFFAOYSA-N -1 1 281.327 2.801 20 0 CFADMM CO[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC000188351517 650324214 /nfs/dbraw/zinc/32/42/14/650324214.db2.gz GVRHCKKMMLONGR-GFCCVEGCSA-N -1 1 292.722 2.767 20 0 CFADMM COC(=O)c1c[n-]c(SC[C@H]2C[C@H]3C=C[C@@H]2C3)n1 ZINC000863323766 637626193 /nfs/dbraw/zinc/62/61/93/637626193.db2.gz SSHXLYVEJNNKKG-IVZWLZJFSA-N -1 1 264.350 2.501 20 0 CFADMM Cc1cnc(SCCC(F)(F)Cl)[n-]c1=O ZINC000863340541 637631038 /nfs/dbraw/zinc/63/10/38/637631038.db2.gz LSYYEJCDTPBSIK-UHFFFAOYSA-N -1 1 254.689 2.804 20 0 CFADMM C[C@]1(C(=O)[O-])CCCN1Cc1cc(Cl)nc(Cl)c1 ZINC000863532003 637686378 /nfs/dbraw/zinc/68/63/78/637686378.db2.gz CTPKXVMUITWQSH-GFCCVEGCSA-N -1 1 289.162 2.828 20 0 CFADMM COC[C@H](C)Cc1nc(=O)c2c(C)sc(C)c2[n-]1 ZINC000864355495 637951133 /nfs/dbraw/zinc/95/11/33/637951133.db2.gz MYVIQNKAPOCHIL-SSDOTTSWSA-N -1 1 266.366 2.839 20 0 CFADMM O=C([N-][C@H](Cc1cccnc1)C1CCCC1)C(F)(F)F ZINC000864491563 638001392 /nfs/dbraw/zinc/00/13/92/638001392.db2.gz AIPIBHHUZMVVHM-GFCCVEGCSA-N -1 1 286.297 2.861 20 0 CFADMM CC(C)COCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000865369021 638289151 /nfs/dbraw/zinc/28/91/51/638289151.db2.gz ZPNUCLVJRXKJNT-UHFFFAOYSA-N -1 1 264.297 2.842 20 0 CFADMM CCCCOC(=O)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000865372987 638291164 /nfs/dbraw/zinc/29/11/64/638291164.db2.gz AYEGAGVAGLUVJV-UHFFFAOYSA-N -1 1 296.392 2.803 20 0 CFADMM CO[N-]C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000120639023 638425186 /nfs/dbraw/zinc/42/51/86/638425186.db2.gz VZXYVJYWSMMUPK-LBPRGKRZSA-N -1 1 283.327 2.699 20 0 CFADMM CS[C@H]1C[C@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000867673371 638891449 /nfs/dbraw/zinc/89/14/49/638891449.db2.gz NMKMIZQQKRXSNS-LJGSYFOKSA-N -1 1 297.854 2.574 20 0 CFADMM CCOC1CC2(C[C@@H]2C(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000867712797 638893624 /nfs/dbraw/zinc/89/36/24/638893624.db2.gz HRLDGTIJJPZKOJ-ZYTOWTHASA-N -1 1 296.754 2.584 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](C)CCc1ccc(F)cc1 ZINC000868546315 638954956 /nfs/dbraw/zinc/95/49/56/638954956.db2.gz UMWSFQHUVLLHQR-SECBINFHSA-N -1 1 291.326 2.770 20 0 CFADMM CC(C)n1cnc([N-]C(=O)c2nc(C(C)(C)C)cs2)n1 ZINC000869129968 639036432 /nfs/dbraw/zinc/03/64/32/639036432.db2.gz QOTGLIODANORDX-UHFFFAOYSA-N -1 1 293.396 2.865 20 0 CFADMM CC1(C)CO[C@@H](COC(=O)c2ccc([O-])cc2F)C1 ZINC000869466515 639243901 /nfs/dbraw/zinc/24/39/01/639243901.db2.gz YGHFEAYDHIKBML-SNVBAGLBSA-N -1 1 268.284 2.503 20 0 CFADMM O=C(Cc1ccc([O-])c(Cl)c1)OCC1CCC1 ZINC000869734039 639373909 /nfs/dbraw/zinc/37/39/09/639373909.db2.gz ATGNISZDQZECHH-UHFFFAOYSA-N -1 1 254.713 2.931 20 0 CFADMM C[C@@H]1C[C@@H](COC(=O)Cc2ccc([O-])c(Cl)c2)CCO1 ZINC000869736758 639375748 /nfs/dbraw/zinc/37/57/48/639375748.db2.gz PCSGQTDIJQLKDK-PWSUYJOCSA-N -1 1 298.766 2.946 20 0 CFADMM O=C(N[C@@H]1CCCC[C@@H]1F)c1c(F)ccc([O-])c1F ZINC000870489685 639687037 /nfs/dbraw/zinc/68/70/37/639687037.db2.gz LSUBLECTARRKRQ-IONNQARKSA-N -1 1 273.254 2.681 20 0 CFADMM CO[C@H]1CC[C@H](C)N(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000870730394 639795994 /nfs/dbraw/zinc/79/59/94/639795994.db2.gz 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O=C([O-])c1cccc(Nc2ccc3nccn3c2)c1F ZINC001210240079 770248956 /nfs/dbraw/zinc/24/89/56/770248956.db2.gz UAJRQRGDGPKRMC-UHFFFAOYSA-N -1 1 271.251 2.915 20 0 CFADMM COc1ncc(Cl)cc1Nc1ncc(F)cc1[O-] ZINC001210450852 770287130 /nfs/dbraw/zinc/28/71/30/770287130.db2.gz STUFSLHGWNBJEZ-UHFFFAOYSA-N -1 1 269.663 2.727 20 0 CFADMM O=C(c1ccc([O-])cc1F)N(Cc1ccoc1)C1CC1 ZINC000723735486 770655991 /nfs/dbraw/zinc/65/59/91/770655991.db2.gz KNSZBMMLXNHISD-UHFFFAOYSA-N -1 1 275.279 2.929 20 0 CFADMM CC[C@H](NC(=O)c1cc(Cl)ccc1[O-])[C@@H]1CCCOC1 ZINC000723839361 770675788 /nfs/dbraw/zinc/67/57/88/770675788.db2.gz HVPDVDOSMRGXJE-MFKMUULPSA-N -1 1 297.782 2.981 20 0 CFADMM COc1cc(Nc2c([O-])cc(F)cc2F)ccc1CO ZINC001216113532 770725830 /nfs/dbraw/zinc/72/58/30/770725830.db2.gz FSOMKAFQCDPOQJ-UHFFFAOYSA-N -1 1 281.258 2.915 20 0 CFADMM COC(=O)c1c(O)cccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213384424 775109748 /nfs/dbraw/zinc/10/97/48/775109748.db2.gz LTWABBIABDCKFA-UHFFFAOYSA-N -1 1 295.241 2.906 20 0 CFADMM Cc1cccnc1-c1noc(-c2cc([O-])cnc2Cl)n1 ZINC001213697844 775115862 /nfs/dbraw/zinc/11/58/62/775115862.db2.gz GOLWWWDGIYTLTJ-UHFFFAOYSA-N -1 1 288.694 2.861 20 0 CFADMM Cc1ccc(-n2c(N)nc3ccccc32)cc1C(=O)[O-] ZINC001211594156 775152859 /nfs/dbraw/zinc/15/28/59/775152859.db2.gz NQMXIYLGRHZFCO-UHFFFAOYSA-N -1 1 267.288 2.614 20 0 CFADMM CCC[C@@H](OCC[P@](=O)([O-])O)c1ccccc1 ZINC001224601134 775224460 /nfs/dbraw/zinc/22/44/60/775224460.db2.gz DQZOTWFKJPTDME-GFCCVEGCSA-N -1 1 258.254 2.722 20 0 CFADMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1CCCC[C@H]1F ZINC001225675471 775553710 /nfs/dbraw/zinc/55/37/10/775553710.db2.gz WCNZULOIIGNODR-PWSUYJOCSA-N -1 1 268.284 2.960 20 0 CFADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCCC[C@@H]1F ZINC001225675468 775553763 /nfs/dbraw/zinc/55/37/63/775553763.db2.gz WCNZULOIIGNODR-CMPLNLGQSA-N -1 1 268.284 2.960 20 0 CFADMM CC(=O)c1c(O)cc([O-])cc1O[C@H](C)Cc1ccco1 ZINC001225678310 775554525 /nfs/dbraw/zinc/55/45/25/775554525.db2.gz GOXKYWOHEXQGRM-SECBINFHSA-N -1 1 276.288 2.903 20 0 CFADMM C[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1cccnc1Cl ZINC001225764660 775586304 /nfs/dbraw/zinc/58/63/04/775586304.db2.gz GTUXGLNVUVZQJF-LURJTMIESA-N -1 1 283.740 2.659 20 0 CFADMM C[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1cccc(N(C)C)c1 ZINC001225765994 775586937 /nfs/dbraw/zinc/58/69/37/775586937.db2.gz PODWBLLFVFALPR-VIFPVBQESA-N -1 1 291.376 2.677 20 0 CFADMM CCC[C@H](C)[C@@H](CC)Oc1nc(=O)[n-]cc1C(=O)OCC ZINC001225901126 775627829 /nfs/dbraw/zinc/62/78/29/775627829.db2.gz LTSUTNKWGOGBGZ-CMPLNLGQSA-N -1 1 296.367 2.953 20 0 CFADMM CCOC(=O)c1c[n-]c(=O)nc1O[C@@H]1CCCC(C)(C)C1 ZINC001225899607 775628119 /nfs/dbraw/zinc/62/81/19/775628119.db2.gz OXCJMZYXTXZDOG-SNVBAGLBSA-N -1 1 294.351 2.707 20 0 CFADMM CCOC(=O)c1c[n-]c(=O)nc1O[C@H]1CCCC(C)(C)C1 ZINC001225899605 775628133 /nfs/dbraw/zinc/62/81/33/775628133.db2.gz OXCJMZYXTXZDOG-JTQLQIEISA-N -1 1 294.351 2.707 20 0 CFADMM CCCC[C@H](CC)Oc1nc(=O)[n-]cc1C(=O)OCC ZINC001225899274 775628309 /nfs/dbraw/zinc/62/83/09/775628309.db2.gz KNLUHTBPGCMIBV-JTQLQIEISA-N -1 1 282.340 2.707 20 0 CFADMM CCC[C@H](Oc1nc(=O)[n-]cc1C(=O)OCC)C(C)C ZINC001225899838 775628531 /nfs/dbraw/zinc/62/85/31/775628531.db2.gz RUGCYCDLUTVAJJ-NSHDSACASA-N -1 1 282.340 2.562 20 0 CFADMM O=c1cc(O[C@@H]2CCCCC2=O)nc(-c2ccccc2)[n-]1 ZINC001226184770 775729804 /nfs/dbraw/zinc/72/98/04/775729804.db2.gz KIJLAGYINPRZGR-CYBMUJFWSA-N -1 1 284.315 2.740 20 0 CFADMM CC(=O)c1c[n-]c(=O)nc1O[C@H]1CCC=CCCC1 ZINC001226238860 775749767 /nfs/dbraw/zinc/74/97/67/775749767.db2.gz ZYPQGCVJFLVMNS-NSHDSACASA-N -1 1 262.309 2.653 20 0 CFADMM COc1cnc(=S)[n-]c1O[C@@H](C)Cc1ccccc1 ZINC001226242335 775750567 /nfs/dbraw/zinc/75/05/67/775750567.db2.gz LZNRQULXLMWJQB-JTQLQIEISA-N -1 1 276.361 2.784 20 0 CFADMM COc1cnc(=S)[n-]c1O[C@H]1CCCc2cccnc21 ZINC001226243194 775752689 /nfs/dbraw/zinc/75/26/89/775752689.db2.gz YOUIDZQXODEBBK-JTQLQIEISA-N -1 1 289.360 2.625 20 0 CFADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H](C)c3cnccn3)c12 ZINC001226485378 775843440 /nfs/dbraw/zinc/84/34/40/775843440.db2.gz KULGMKZBEQPJPI-JTQLQIEISA-N -1 1 298.298 2.737 20 0 CFADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H](C)c3cncnc3)c12 ZINC001226484825 775843738 /nfs/dbraw/zinc/84/37/38/775843738.db2.gz HSCULBJNRCMPLI-JTQLQIEISA-N -1 1 298.298 2.737 20 0 CFADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H](C)C3CC3)c12 ZINC001226490161 775845151 /nfs/dbraw/zinc/84/51/51/775845151.db2.gz NQGXJKXXVOXZRD-SECBINFHSA-N -1 1 260.289 2.984 20 0 CFADMM Cc1cn2c(n1)[C@@H](Oc1[n-]c(=O)nc(C)c1Cl)CCC2 ZINC001227111499 776102255 /nfs/dbraw/zinc/10/22/55/776102255.db2.gz MKSQTPJLAABNRA-VIFPVBQESA-N -1 1 294.742 2.563 20 0 CFADMM Cc1nc(=O)[n-]c(O[C@@H]2COCc3ccccc32)c1Cl ZINC001227112319 776103033 /nfs/dbraw/zinc/10/30/33/776103033.db2.gz ZEVQLZDYPUSDAJ-LLVKDONJSA-N -1 1 292.722 2.794 20 0 CFADMM COCC(=O)c1ccc([O-])cc1OCCOC1CCCC1 ZINC001227172129 776123057 /nfs/dbraw/zinc/12/30/57/776123057.db2.gz LYWZRVVUMMHRIA-UHFFFAOYSA-N -1 1 294.347 2.559 20 0 CFADMM C[C@H](COCc1ccccc1)Oc1[n-]c(=S)ncc1F ZINC001227382881 776188845 /nfs/dbraw/zinc/18/88/45/776188845.db2.gz HDKZQHWCOFAEOR-SNVBAGLBSA-N -1 1 294.351 2.889 20 0 CFADMM Fc1cnc(=S)[n-]c1O[C@@H]1CCc2ccccc21 ZINC001227385952 776190362 /nfs/dbraw/zinc/19/03/62/776190362.db2.gz PMLKHJJKZITFPS-LLVKDONJSA-N -1 1 262.309 2.971 20 0 CFADMM CCC[C@@H](C)[C@@H](Oc1nc2c([n-]1)[nH]c(=O)[nH]c2=O)C(C)C ZINC001227432569 776201776 /nfs/dbraw/zinc/20/17/76/776201776.db2.gz OUEIWYNBFSLHGJ-SCZZXKLOSA-N -1 1 294.355 2.604 20 0 CFADMM CCCCCC[C@@H](CC)Oc1nc2c([n-]1)[nH]c(=O)[nH]c2=O ZINC001227430634 776202296 /nfs/dbraw/zinc/20/22/96/776202296.db2.gz NDDVRDLJBHWQJY-SECBINFHSA-N -1 1 294.355 2.892 20 0 CFADMM CCCC[C@H](Oc1nc(=O)[nH]c(=O)[n-]1)c1ccccc1 ZINC001227570415 776232635 /nfs/dbraw/zinc/23/26/35/776232635.db2.gz JYVNLRXVJQRRNN-NSHDSACASA-N -1 1 275.308 2.593 20 0 CFADMM Cc1ccccc1[C@@H](C)Oc1[n-]c(=O)nc2c1COC2 ZINC001227689434 776257408 /nfs/dbraw/zinc/25/74/08/776257408.db2.gz FUMKTBIUPBLWPY-SNVBAGLBSA-N -1 1 272.304 2.661 20 0 CFADMM C[C@H]1OCc2c1nc(=O)[n-]c2O[C@H]1CCc2ccccc21 ZINC001227710454 776265694 /nfs/dbraw/zinc/26/56/94/776265694.db2.gz LENGGRWPICRGBH-RNCFNFMXSA-N -1 1 284.315 2.840 20 0 CFADMM C[C@H](Oc1[n-]c(=S)nc2cnccc21)c1ncccn1 ZINC001227881861 776316533 /nfs/dbraw/zinc/31/65/33/776316533.db2.gz QOMGFZLZLVFFEF-QMMMGPOBSA-N -1 1 285.332 2.617 20 0 CFADMM CSc1nc(O[C@H]2CCOc3ccccc32)cc(=O)[n-]1 ZINC001228090869 776393212 /nfs/dbraw/zinc/39/32/12/776393212.db2.gz PGPCDJFUWUZIIC-NSHDSACASA-N -1 1 290.344 2.807 20 0 CFADMM CSc1nc(O[C@H](C)Cc2ccco2)cc(=O)[n-]1 ZINC001228093741 776394665 /nfs/dbraw/zinc/39/46/65/776394665.db2.gz CUSVHLLZDUSDCU-MRVPVSSYSA-N -1 1 266.322 2.507 20 0 CFADMM CSc1nc(O[C@H](C)c2ccco2)cc(=O)[n-]1 ZINC001228094034 776394689 /nfs/dbraw/zinc/39/46/89/776394689.db2.gz GQRDCEUQFNDVRA-SSDOTTSWSA-N -1 1 252.295 2.637 20 0 CFADMM CCCCCC[C@H](CC)Oc1nc(C(=O)OC)n[n-]1 ZINC001228312278 776454028 /nfs/dbraw/zinc/45/40/28/776454028.db2.gz RKIBIYRCJMASTD-JTQLQIEISA-N -1 1 269.345 2.719 20 0 CFADMM CCCCCC[C@H](CC)Oc1n[n-]c(C(=O)OC)n1 ZINC001228312278 776454034 /nfs/dbraw/zinc/45/40/34/776454034.db2.gz RKIBIYRCJMASTD-JTQLQIEISA-N -1 1 269.345 2.719 20 0 CFADMM CCCC[C@H](Oc1nc(C(=O)OC)n[n-]1)c1ccccc1 ZINC001228313086 776455294 /nfs/dbraw/zinc/45/52/94/776455294.db2.gz YRVXPENEWOXIGP-LBPRGKRZSA-N -1 1 289.335 2.902 20 0 CFADMM CCCC[C@H](Oc1n[n-]c(C(=O)OC)n1)c1ccccc1 ZINC001228313086 776455301 /nfs/dbraw/zinc/45/53/01/776455301.db2.gz YRVXPENEWOXIGP-LBPRGKRZSA-N -1 1 289.335 2.902 20 0 CFADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CCO[C@@H](C)C1 ZINC001228557535 776520613 /nfs/dbraw/zinc/52/06/13/776520613.db2.gz WVUKYWGMQLRELA-ONGXEEELSA-N -1 1 280.320 2.637 20 0 CFADMM C[C@@H](Oc1cnnc(=S)[n-]1)c1ccccc1Cl ZINC001228638325 776547515 /nfs/dbraw/zinc/54/75/15/776547515.db2.gz DNRHMHDWQJJGOV-SSDOTTSWSA-N -1 1 267.741 2.954 20 0 CFADMM CCCCC(=O)[C@H](CCCC)Oc1cnnc(=S)[n-]1 ZINC001228637456 776548049 /nfs/dbraw/zinc/54/80/49/776548049.db2.gz WLRIJRGDEXPKFQ-NSHDSACASA-N -1 1 283.397 2.857 20 0 CFADMM O=C1CC[C@@H](COc2cc([O-])c(Cl)cc2Cl)O1 ZINC001229411544 776804791 /nfs/dbraw/zinc/80/47/91/776804791.db2.gz RXIYGHWHRGVSHF-LURJTMIESA-N -1 1 277.103 2.783 20 0 CFADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)c1cncnc1 ZINC001229475653 776822589 /nfs/dbraw/zinc/82/25/89/776822589.db2.gz COSKTJQYAWRBSS-SNVBAGLBSA-N -1 1 272.304 2.915 20 0 CFADMM CCC(=O)c1ccc([O-])cc1OC[C@@H]1CCCCO1 ZINC001229474877 776822780 /nfs/dbraw/zinc/82/27/80/776822780.db2.gz LXFPXHINEKNRDX-LBPRGKRZSA-N -1 1 264.321 2.933 20 0 CFADMM O=C1[N-]C(=O)[C@@H](Cc2ccc(OC3CCC3)cc2)S1 ZINC001229619214 776858161 /nfs/dbraw/zinc/85/81/61/776858161.db2.gz VMHARGZOFBQNMN-GFCCVEGCSA-N -1 1 277.345 2.512 20 0 CFADMM COc1c(=O)[n-]c(C)nc1O[C@H]1CCc2ccc(C)cc21 ZINC001230018244 776941452 /nfs/dbraw/zinc/94/14/52/776941452.db2.gz FFXIHIGQDGPSMF-ZDUSSCGKSA-N -1 1 286.331 2.874 20 0 CFADMM COc1c(=O)[n-]c(C)nc1O[C@@H](C)c1ccc(F)cc1 ZINC001230022235 776942186 /nfs/dbraw/zinc/94/21/86/776942186.db2.gz SYIURYZSFUIFTC-QMMMGPOBSA-N -1 1 278.283 2.778 20 0 CFADMM COc1ccccc1[C@@H](C)Oc1nc(C)[n-]c(=O)c1OC ZINC001230022393 776942251 /nfs/dbraw/zinc/94/22/51/776942251.db2.gz TYPLYPBNSOKFNR-SECBINFHSA-N -1 1 290.319 2.648 20 0 CFADMM COc1c(O[C@@H]2CCC[C@@H](C)[C@@H]2C)nc(C)[n-]c1=O ZINC001230026018 776943800 /nfs/dbraw/zinc/94/38/00/776943800.db2.gz NHUGAFWRIQZWKI-WCABBAIRSA-N -1 1 266.341 2.703 20 0 CFADMM O=C1CCCC[C@H]1Oc1cccnc1-c1ncccc1[O-] ZINC001231204789 777170587 /nfs/dbraw/zinc/17/05/87/777170587.db2.gz UEDFSPMZRGNMDF-CYBMUJFWSA-N -1 1 284.315 2.740 20 0 CFADMM [O-]c1cc(CN2CC(Oc3cccnc3)C2)ccc1Cl ZINC001231733851 777317675 /nfs/dbraw/zinc/31/76/75/777317675.db2.gz JDRQPKQNMDIHPG-UHFFFAOYSA-N -1 1 290.750 2.704 20 0 CFADMM CC[C@@H]1CCCC[C@H]1Oc1nc(=O)[n-]cc1C(C)=O ZINC001226241363 777486084 /nfs/dbraw/zinc/48/60/84/777486084.db2.gz ZSYIDFCMEGFKAA-ZYHUDNBSSA-N -1 1 264.325 2.732 20 0 CFADMM Cc1nc2c(o1)CCN(Cc1cccc([O-])c1Cl)C2 ZINC001232790700 777670769 /nfs/dbraw/zinc/67/07/69/777670769.db2.gz WFWOOUUQJBJNDT-UHFFFAOYSA-N -1 1 278.739 2.900 20 0 CFADMM CC(=O)[C@@H]1CCCN1Cc1cccc([O-])c1Cl ZINC001232789328 777671514 /nfs/dbraw/zinc/67/15/14/777671514.db2.gz BJCCVJBLFHYLSF-NSHDSACASA-N -1 1 253.729 2.599 20 0 CFADMM [O-]c1c(F)ccc(CN2CCC[C@H]2c2cnccn2)c1F ZINC001232934473 777723244 /nfs/dbraw/zinc/72/32/44/777723244.db2.gz GIYPDEWZDPKJPQ-ZDUSSCGKSA-N -1 1 291.301 2.798 20 0 CFADMM C[C@@H]1CCN(Cc2ccc(F)c([O-])c2F)C[C@H]1F ZINC001232930611 777723983 /nfs/dbraw/zinc/72/39/83/777723983.db2.gz CKUVSYZORDKMOQ-LDYMZIIASA-N -1 1 259.271 2.850 20 0 CFADMM [O-]c1c(F)ccc(CN2C[C@@H](F)C[C@H]2CF)c1F ZINC001232931287 777724031 /nfs/dbraw/zinc/72/40/31/777724031.db2.gz LXMQKKCZLRRIRP-IUCAKERBSA-N -1 1 263.234 2.552 20 0 CFADMM [S-]c1ccc(CN2CCc3ncccc3C2)cc1 ZINC001233261409 777851747 /nfs/dbraw/zinc/85/17/47/777851747.db2.gz OIUPPFPUEMIDDB-UHFFFAOYSA-N -1 1 256.374 2.929 20 0 CFADMM CCCC(=O)c1ccc([O-])cc1OCC(=O)OC(C)C ZINC001233650081 778024736 /nfs/dbraw/zinc/02/47/36/778024736.db2.gz GQGPEFBKISBDPJ-UHFFFAOYSA-N -1 1 280.320 2.705 20 0 CFADMM CCCC(=O)c1ccc([O-])cc1O[C@@H]1C=C(C)OC(=O)C1 ZINC001233650532 778025651 /nfs/dbraw/zinc/02/56/51/778025651.db2.gz MICIVMLPEYRNQC-GFCCVEGCSA-N -1 1 290.315 2.973 20 0 CFADMM CCCC(=O)c1ccc([O-])cc1OC[C@@H]1CCO1 ZINC001233650131 778025843 /nfs/dbraw/zinc/02/58/43/778025843.db2.gz IHJPJWSVSMJMPE-NSHDSACASA-N -1 1 250.294 2.543 20 0 CFADMM COC(=O)c1nc[n-]c(=O)c1OC(CC(C)C)CC(C)C ZINC001233755654 778064360 /nfs/dbraw/zinc/06/43/60/778064360.db2.gz DFYIMBMCYXYANL-UHFFFAOYSA-N -1 1 296.367 2.808 20 0 CFADMM CCCC1CCC(Oc2c(=O)[n-]cnc2C(=O)OC)CC1 ZINC001233756204 778065523 /nfs/dbraw/zinc/06/55/23/778065523.db2.gz ILSONVXGBJCULI-UHFFFAOYSA-N -1 1 294.351 2.707 20 0 CFADMM CCC[C@H](C)[C@H](CC)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233763408 778069357 /nfs/dbraw/zinc/06/93/57/778069357.db2.gz XMWFUTRINOKRPF-UWVGGRQHSA-N -1 1 282.340 2.562 20 0 CFADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](C)C1CC1 ZINC001228560642 778155837 /nfs/dbraw/zinc/15/58/37/778155837.db2.gz RFHASKKJKWLKST-QMMMGPOBSA-N -1 1 250.294 2.868 20 0 CFADMM C[C@H](NC(=O)c1ccc([O-])cn1)[C@@H]1CCC[C@@H](C)C1 ZINC001142301416 778160872 /nfs/dbraw/zinc/16/08/72/778160872.db2.gz NEPLVNLHHVYYCB-GRYCIOLGSA-N -1 1 262.353 2.732 20 0 CFADMM CC[C@@H](Oc1cnnc(=S)[n-]1)c1ccccc1F ZINC001228635790 778177476 /nfs/dbraw/zinc/17/74/76/778177476.db2.gz DOQUVCYKTZVFGR-SNVBAGLBSA-N -1 1 265.313 2.830 20 0 CFADMM CCC[C@H](C)Oc1c(=O)[n-]c(C(C)C)nc1C(=O)OC ZINC001234559309 778252347 /nfs/dbraw/zinc/25/23/47/778252347.db2.gz DRIHYRZQCBEHIW-VIFPVBQESA-N -1 1 282.340 2.660 20 0 CFADMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@H]1C=CCCC1 ZINC001234561099 778252626 /nfs/dbraw/zinc/25/26/26/778252626.db2.gz QEQDCIPUQJEYTC-JTQLQIEISA-N -1 1 292.335 2.580 20 0 CFADMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@H]1CC2CCC1CC2 ZINC001234608176 778263470 /nfs/dbraw/zinc/26/34/70/778263470.db2.gz JQMGZZHULCYYRU-KWPJZBAWSA-N -1 1 295.310 2.670 20 0 CFADMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@@H]1CCCC[C@H]1C ZINC001234608220 778264345 /nfs/dbraw/zinc/26/43/45/778264345.db2.gz JZPKCKDPIIBQPZ-LDYMZIIASA-N -1 1 283.299 2.670 20 0 CFADMM N=c1ccc2c(N)cccc2n1-c1ccc([O-])c(F)c1F ZINC001212016301 778327809 /nfs/dbraw/zinc/32/78/09/778327809.db2.gz JJGVLKMACRBOKW-UHFFFAOYSA-N -1 1 287.269 2.676 20 0 CFADMM O=C(Cc1ccccc1F)Nc1cc(F)cc(F)c1[O-] ZINC001142537930 778405116 /nfs/dbraw/zinc/40/51/16/778405116.db2.gz WWACMRMHDCRVOP-UHFFFAOYSA-N -1 1 281.233 2.991 20 0 CFADMM Nc1ccc(Nc2[nH]c(=S)[n-]c(=O)c2N=O)cc1Cl ZINC001212109016 778412871 /nfs/dbraw/zinc/41/28/71/778412871.db2.gz RRLDWJCNBQBFSO-UHFFFAOYSA-N -1 1 297.727 2.848 20 0 CFADMM CC(C)C=CC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001142656218 778556862 /nfs/dbraw/zinc/55/68/62/778556862.db2.gz LBLKGCYOQSAHGF-CMDGGOBGSA-N -1 1 271.320 2.729 20 0 CFADMM Cc1ccc([C@H](C)OCC[P@](=O)([O-])O)c(C)c1 ZINC001224602879 778597847 /nfs/dbraw/zinc/59/78/47/778597847.db2.gz UAINAMIUPILPNO-NSHDSACASA-N -1 1 258.254 2.559 20 0 CFADMM CN1CCN(c2ccc(-c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC001236062071 778675093 /nfs/dbraw/zinc/67/50/93/778675093.db2.gz YLXSDQIULOLMHE-UHFFFAOYSA-N -1 1 296.370 2.804 20 0 CFADMM COC(=O)c1cc(F)cnc1-c1c(F)ccc(C)c1[O-] ZINC001236388917 778798483 /nfs/dbraw/zinc/79/84/83/778798483.db2.gz ARIJDYALJHIOBM-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM Cc1ccc(F)c(-c2ccc(N3CCCC3)nn2)c1[O-] ZINC001236393281 778800724 /nfs/dbraw/zinc/80/07/24/778800724.db2.gz UAPZLTLPXKBIBF-UHFFFAOYSA-N -1 1 273.311 2.897 20 0 CFADMM C[C@@H]1CC[C@@H](OCCCC[P@](=O)([O-])O)C[C@H]1C ZINC001225021408 778816351 /nfs/dbraw/zinc/81/63/51/778816351.db2.gz HCPBLZBPIICZMY-IJLUTSLNSA-N -1 1 264.302 2.786 20 0 CFADMM [O-]c1cccc(CN2C[C@@H](F)C[C@H]2CF)c1Cl ZINC001232784480 778977406 /nfs/dbraw/zinc/97/74/06/778977406.db2.gz MTMRUHIKBDBFPF-UWVGGRQHSA-N -1 1 261.699 2.928 20 0 CFADMM CCCCCC[C@H](C)CC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001168428963 779014674 /nfs/dbraw/zinc/01/46/74/779014674.db2.gz AOJKTOOUEMXASJ-NSHDSACASA-N -1 1 295.383 2.501 20 0 CFADMM [O-]c1cc(F)c(CN2C[C@H]3[C@H](CF)[C@H]3C2)cc1Cl ZINC001238150451 779263732 /nfs/dbraw/zinc/26/37/32/779263732.db2.gz UYSGYIBLNHCAQS-OWUUHHOZSA-N -1 1 273.710 2.832 20 0 CFADMM [O-]c1ccc(Br)c(CN2CC(F)(F)C2)c1F ZINC001238304564 779291734 /nfs/dbraw/zinc/29/17/34/779291734.db2.gz FYSAVYFYDNEMKJ-UHFFFAOYSA-N -1 1 296.086 2.745 20 0 CFADMM O=C([O-])c1ccc(-c2cccn3cncc23)c(F)c1 ZINC001239266267 779493471 /nfs/dbraw/zinc/49/34/71/779493471.db2.gz ABHMRMSPJHIOBE-UHFFFAOYSA-N -1 1 256.236 2.839 20 0 CFADMM Cc1ccc(O)cc1Nc1[nH]c(=S)[n-]c(=O)c1N=O ZINC001214340748 779605969 /nfs/dbraw/zinc/60/59/69/779605969.db2.gz CKKGBTKYXQCVIG-UHFFFAOYSA-N -1 1 278.293 2.626 20 0 CFADMM Cc1ccc(-c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC001239812206 779792315 /nfs/dbraw/zinc/79/23/15/779792315.db2.gz UNDVYAOELDVBQO-UHFFFAOYSA-N -1 1 251.293 2.546 20 0 CFADMM Cc1ccc(-c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC001239812206 779792319 /nfs/dbraw/zinc/79/23/19/779792319.db2.gz UNDVYAOELDVBQO-UHFFFAOYSA-N -1 1 251.293 2.546 20 0 CFADMM CCOc1cccc(-c2noc(-c3cc(C(C)=O)n[nH]3)n2)c1 ZINC001212429198 780173504 /nfs/dbraw/zinc/17/35/04/780173504.db2.gz DSPVNRHHIMUAOI-UHFFFAOYSA-N -1 1 298.302 2.728 20 0 CFADMM CCOc1cccc(-c2noc(-c3cc(C(C)=O)[n-]n3)n2)c1 ZINC001212429198 780173508 /nfs/dbraw/zinc/17/35/08/780173508.db2.gz DSPVNRHHIMUAOI-UHFFFAOYSA-N -1 1 298.302 2.728 20 0 CFADMM CCOc1cccc(-c2noc(-c3cc(C(C)=O)n[n-]3)n2)c1 ZINC001212429198 780173512 /nfs/dbraw/zinc/17/35/12/780173512.db2.gz DSPVNRHHIMUAOI-UHFFFAOYSA-N -1 1 298.302 2.728 20 0 CFADMM COc1cncc(Nc2cc(F)c([O-])c(Cl)c2)n1 ZINC001214482722 780328390 /nfs/dbraw/zinc/32/83/90/780328390.db2.gz KJKWJTJMPCZIJJ-UHFFFAOYSA-N -1 1 269.663 2.727 20 0 CFADMM COC(=O)c1ncc(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214482862 780337925 /nfs/dbraw/zinc/33/79/25/780337925.db2.gz SAZCQGZDDYKDDN-UHFFFAOYSA-N -1 1 297.673 2.505 20 0 CFADMM COC(=O)c1cc(-c2cc(F)ccc2[O-])ncc1C ZINC001240694551 780363698 /nfs/dbraw/zinc/36/36/98/780363698.db2.gz XSXTYWTZUDKCIQ-UHFFFAOYSA-N -1 1 261.252 2.688 20 0 CFADMM Cc1nc2ncc(-c3cc(F)ccc3[O-])nc2s1 ZINC001240694028 780365041 /nfs/dbraw/zinc/36/50/41/780365041.db2.gz MTYQAROIDCIWAH-UHFFFAOYSA-N -1 1 261.281 2.906 20 0 CFADMM [O-]c1ccc(F)cc1-c1ccc(N2CCCCC2)nn1 ZINC001240694495 780365162 /nfs/dbraw/zinc/36/51/62/780365162.db2.gz VGEVVKCYHVLIFW-UHFFFAOYSA-N -1 1 273.311 2.979 20 0 CFADMM COc1cc(C(=O)[O-])ccc1-c1ccc2[nH]cnc2c1 ZINC001240735118 780402108 /nfs/dbraw/zinc/40/21/08/780402108.db2.gz KKXWUNHXITXSHZ-UHFFFAOYSA-N -1 1 268.272 2.937 20 0 CFADMM [O-]c1ccc(-c2ncc(OC(F)F)cn2)cc1F ZINC001240781571 780435147 /nfs/dbraw/zinc/43/51/47/780435147.db2.gz AVQYHTVIFKKLPJ-UHFFFAOYSA-N -1 1 256.183 2.590 20 0 CFADMM Cc1noc(-c2cccnc2-c2ccc([O-])c(F)c2)n1 ZINC001240782461 780436983 /nfs/dbraw/zinc/43/69/83/780436983.db2.gz CKQHRHWOWMSGQR-UHFFFAOYSA-N -1 1 271.251 2.952 20 0 CFADMM COC(=O)c1ccc2c(c1)ncnc2-c1ccc([O-])c(F)c1 ZINC001240783773 780438309 /nfs/dbraw/zinc/43/83/09/780438309.db2.gz WYISVOSVZRJSFZ-UHFFFAOYSA-N -1 1 298.273 2.928 20 0 CFADMM Cc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)o1 ZINC001168705838 780439979 /nfs/dbraw/zinc/43/99/79/780439979.db2.gz BESCCVFHVCJEHE-UHFFFAOYSA-N -1 1 267.231 2.502 20 0 CFADMM O=C(CCC(F)(F)F)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001143148553 780534186 /nfs/dbraw/zinc/53/41/86/780534186.db2.gz RQNWIOXFCMYSSQ-UHFFFAOYSA-N -1 1 299.252 2.859 20 0 CFADMM [O-]c1cc(F)c(-c2ncnc3ncccc32)c(F)c1 ZINC001241116663 780645390 /nfs/dbraw/zinc/64/53/90/780645390.db2.gz FGKUXXRPGHUYLO-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM COC(=O)c1nc(-c2c(F)cc([O-])cc2F)ccc1C ZINC001241116677 780645425 /nfs/dbraw/zinc/64/54/25/780645425.db2.gz FXOQTFPUQRMWFB-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM COC(=O)c1cc(C)nc(-c2c(F)cc([O-])cc2F)c1 ZINC001241117275 780645463 /nfs/dbraw/zinc/64/54/63/780645463.db2.gz LJFQOELWLGYBSE-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM Cc1nc2c(ccn2C)c(-c2c(F)cc([O-])cc2F)n1 ZINC001241118147 780646163 /nfs/dbraw/zinc/64/61/63/780646163.db2.gz JKNIHMGONVAHFT-UHFFFAOYSA-N -1 1 275.258 2.928 20 0 CFADMM COCc1cc(-c2c(F)cc([O-])cc2F)nc(SC)n1 ZINC001241118128 780646323 /nfs/dbraw/zinc/64/63/23/780646323.db2.gz ISLYEDRPAFHNCK-UHFFFAOYSA-N -1 1 298.314 2.996 20 0 CFADMM COc1cc(-c2c(F)cc([O-])cc2F)ncc1F ZINC001241120539 780648394 /nfs/dbraw/zinc/64/83/94/780648394.db2.gz ZLOSDJKXALZBAM-UHFFFAOYSA-N -1 1 255.195 2.880 20 0 CFADMM CS(=O)(=O)Nc1cccc(-c2c(F)cc([O-])cc2F)c1 ZINC001241120666 780650089 /nfs/dbraw/zinc/65/00/89/780650089.db2.gz FTYYEQRYEADRNI-UHFFFAOYSA-N -1 1 299.298 2.709 20 0 CFADMM COC(=O)COc1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241122260 780650685 /nfs/dbraw/zinc/65/06/85/780650685.db2.gz ZLOZKRAEVZYBMD-UHFFFAOYSA-N -1 1 294.253 2.889 20 0 CFADMM CCn1ccc(-c2c(F)cc([O-])cc2F)cc1=O ZINC001241121619 780651236 /nfs/dbraw/zinc/65/12/36/780651236.db2.gz OGUIKIIDASDYSA-UHFFFAOYSA-N -1 1 251.232 2.519 20 0 CFADMM CNC(=O)Cc1ccccc1-c1c(F)cc([O-])cc1F ZINC001241122274 780651272 /nfs/dbraw/zinc/65/12/72/780651272.db2.gz KRKANTWXSZQPQW-UHFFFAOYSA-N -1 1 277.270 2.626 20 0 CFADMM O=C1COc2ccc(-c3c(F)cc([O-])cc3F)cc2N1 ZINC001241122024 780651279 /nfs/dbraw/zinc/65/12/79/780651279.db2.gz IWQSOXUNYOPGDV-UHFFFAOYSA-N -1 1 277.226 2.668 20 0 CFADMM Cc1nc2cc(-c3c(F)cc([O-])cc3F)ccn2n1 ZINC001241123259 780652648 /nfs/dbraw/zinc/65/26/48/780652648.db2.gz XZAPVGWJJCLNOX-UHFFFAOYSA-N -1 1 261.231 2.689 20 0 CFADMM [O-]c1cc(F)c(-c2cc(F)cn3ncnc23)c(F)c1 ZINC001241125473 780653354 /nfs/dbraw/zinc/65/33/54/780653354.db2.gz YFEZHXWMQCFMMD-UHFFFAOYSA-N -1 1 265.194 2.519 20 0 CFADMM CCOc1cc(C)c(-c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC001241203008 780703562 /nfs/dbraw/zinc/70/35/62/780703562.db2.gz XIAIKKWUEKVYBK-UHFFFAOYSA-N -1 1 295.346 2.944 20 0 CFADMM CCOc1cc(C)c(-c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC001241203008 780703566 /nfs/dbraw/zinc/70/35/66/780703566.db2.gz XIAIKKWUEKVYBK-UHFFFAOYSA-N -1 1 295.346 2.944 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccccc3C(C)=O)nc2[n-]1 ZINC001241207565 780706414 /nfs/dbraw/zinc/70/64/14/780706414.db2.gz OTKZOPLCTLESCO-UHFFFAOYSA-N -1 1 295.298 2.614 20 0 CFADMM O=C([O-])c1cc(-c2cc3[nH]nnc3cc2F)ccc1F ZINC001241245241 780730046 /nfs/dbraw/zinc/73/00/46/780730046.db2.gz ATRDHPVWUWRWHW-UHFFFAOYSA-N -1 1 275.214 2.601 20 0 CFADMM Cc1cc(-c2ccc3c(c2)CC(=O)[N-]C3=O)ccc1F ZINC001241283312 780756953 /nfs/dbraw/zinc/75/69/53/780756953.db2.gz WNWHHUJUNDMSPA-UHFFFAOYSA-N -1 1 269.275 2.614 20 0 CFADMM CCOc1nc(-c2c(F)ccc([O-])c2F)ncc1OC ZINC001241288955 780758325 /nfs/dbraw/zinc/75/83/25/780758325.db2.gz CUNSDHZBMUVIPL-UHFFFAOYSA-N -1 1 282.246 2.535 20 0 CFADMM CCS(=O)(=O)c1ccc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241289383 780759628 /nfs/dbraw/zinc/75/96/28/780759628.db2.gz UBEPECXNPLTIBN-UHFFFAOYSA-N -1 1 299.298 2.526 20 0 CFADMM COc1ccc(-c2c(F)ccc([O-])c2F)nc1OC ZINC001241289563 780760117 /nfs/dbraw/zinc/76/01/17/780760117.db2.gz VSCZDBOKULEMIT-UHFFFAOYSA-N -1 1 267.231 2.750 20 0 CFADMM COC(=O)c1cc(-c2c(F)ccc([O-])c2F)ncc1F ZINC001241291729 780762087 /nfs/dbraw/zinc/76/20/87/780762087.db2.gz TVOGLVWOUHVTIR-UHFFFAOYSA-N -1 1 283.205 2.658 20 0 CFADMM CCOC(=O)c1cnc(-c2c(F)ccc([O-])c2F)nc1C ZINC001241291470 780762108 /nfs/dbraw/zinc/76/21/08/780762108.db2.gz MCCORRJNGOIQRQ-UHFFFAOYSA-N -1 1 294.257 2.613 20 0 CFADMM COC(=O)c1nc(-c2c(F)ccc([O-])c2F)ccc1C ZINC001241291874 780762623 /nfs/dbraw/zinc/76/26/23/780762623.db2.gz VLAKNDQMDWMZMH-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM CC1(c2cccc(-c3c(F)ccc([O-])c3F)n2)OCCO1 ZINC001241292817 780763228 /nfs/dbraw/zinc/76/32/28/780763228.db2.gz JCVXXLMKFNUYIA-UHFFFAOYSA-N -1 1 293.269 2.952 20 0 CFADMM CC1(C)C[C@]1(C)CNC(=O)c1ccc([O-])cc1F ZINC000702373647 780918577 /nfs/dbraw/zinc/91/85/77/780918577.db2.gz PZKMLLLXOXAOTP-CQSZACIVSA-N -1 1 251.301 2.697 20 0 CFADMM Cc1nonc1[N-]c1ccc(Br)nc1C ZINC001212562248 781065052 /nfs/dbraw/zinc/06/50/52/781065052.db2.gz IXARBMINBZBTMY-UHFFFAOYSA-N -1 1 269.102 2.588 20 0 CFADMM Cc1nc2ccc(-c3cncc(C(=O)[O-])c3)cc2[nH]1 ZINC001241802094 781133496 /nfs/dbraw/zinc/13/34/96/781133496.db2.gz GNWYJXNYOPBATF-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM O=C1Cc2cc(-c3cc(C(F)(F)F)ccc3[O-])ncc2N1 ZINC001242126181 781293688 /nfs/dbraw/zinc/29/36/88/781293688.db2.gz JBOSPLNDKICMTR-UHFFFAOYSA-N -1 1 294.232 2.968 20 0 CFADMM CC(=O)Nc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nn1 ZINC001242151577 781303258 /nfs/dbraw/zinc/30/32/58/781303258.db2.gz QCMHFCQTQNPIQH-UHFFFAOYSA-N -1 1 297.236 2.826 20 0 CFADMM Cc1nnc(-c2ccc([O-])c(C(F)(F)F)c2)nc1C ZINC001242158039 781307971 /nfs/dbraw/zinc/30/79/71/781307971.db2.gz RIIAYFHHNKMFMF-UHFFFAOYSA-N -1 1 269.226 2.880 20 0 CFADMM COc1ncncc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242163142 781309494 /nfs/dbraw/zinc/30/94/94/781309494.db2.gz ZYEWLLLRCQHTSR-UHFFFAOYSA-N -1 1 270.210 2.877 20 0 CFADMM CC(=O)Nc1ncc(C)cc1-c1ccc(F)cc1[O-] ZINC001242219508 781334055 /nfs/dbraw/zinc/33/40/55/781334055.db2.gz ITCHEJPYZSNUPM-UHFFFAOYSA-N -1 1 260.268 2.860 20 0 CFADMM CCOC(=O)c1ncccc1-c1ccc(F)cc1[O-] ZINC001242219198 781334646 /nfs/dbraw/zinc/33/46/46/781334646.db2.gz MPZKFXBLKWGGHU-UHFFFAOYSA-N -1 1 261.252 2.770 20 0 CFADMM O=c1ccc(-c2ccc(F)cc2[O-])nn1-c1ccccc1 ZINC001242219636 781334769 /nfs/dbraw/zinc/33/47/69/781334769.db2.gz YTHLIHYBBROIFI-UHFFFAOYSA-N -1 1 282.274 2.744 20 0 CFADMM COC(=O)c1cc2nc[nH]c2c(-c2cccc(F)c2[O-])c1 ZINC001242350776 781422665 /nfs/dbraw/zinc/42/26/65/781422665.db2.gz KPMDYTPKLZBBLW-UHFFFAOYSA-N -1 1 286.262 2.861 20 0 CFADMM COC(=O)c1ccc(OC)cc1-c1cccc(F)c1[O-] ZINC001242350832 781423314 /nfs/dbraw/zinc/42/33/14/781423314.db2.gz NAKRLUDMNNRPDW-UHFFFAOYSA-N -1 1 276.263 2.994 20 0 CFADMM COCOc1cnc(F)cc1-c1cccc(F)c1[O-] ZINC001242350739 781423377 /nfs/dbraw/zinc/42/33/77/781423377.db2.gz JTEAHRYIVNHQRL-UHFFFAOYSA-N -1 1 267.231 2.715 20 0 CFADMM CCOC(=O)c1c(F)cncc1-c1cccc(F)c1[O-] ZINC001242352171 781424862 /nfs/dbraw/zinc/42/48/62/781424862.db2.gz PHQZBPQVHZHLHZ-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM O=c1cc(-c2cccc(F)c2[O-])cnn1CC1CCC1 ZINC001242353376 781426742 /nfs/dbraw/zinc/42/67/42/781426742.db2.gz NMQAEMUNJJNKSR-UHFFFAOYSA-N -1 1 274.295 2.555 20 0 CFADMM [O-]c1c(Cl)cccc1-c1cnc2c(c1)OCCO2 ZINC001242365155 781437260 /nfs/dbraw/zinc/43/72/60/781437260.db2.gz YEQAAVQPTFKMGN-UHFFFAOYSA-N -1 1 263.680 2.879 20 0 CFADMM COC(=O)c1ccc(-c2cccc(Cl)c2[O-])cn1 ZINC001242364819 781437642 /nfs/dbraw/zinc/43/76/42/781437642.db2.gz QOKXRMHELOTRST-UHFFFAOYSA-N -1 1 263.680 2.894 20 0 CFADMM O=C1Cc2c(nccc2-c2cccc(Cl)c2[O-])N1 ZINC001242366074 781438780 /nfs/dbraw/zinc/43/87/80/781438780.db2.gz FXYHGDDFVVBPHM-UHFFFAOYSA-N -1 1 260.680 2.602 20 0 CFADMM Cc1ccc(CN(C)Cc2cc(C(=O)[O-])cs2)o1 ZINC000711486207 781445248 /nfs/dbraw/zinc/44/52/48/781445248.db2.gz FAKZRXVCSHPOIC-UHFFFAOYSA-N -1 1 265.334 2.980 20 0 CFADMM CCOC(=O)c1nc2cc(-c3cnoc3C)ccc2[n-]1 ZINC001242602955 781633065 /nfs/dbraw/zinc/63/30/65/781633065.db2.gz PZVPYLXJEORJAT-UHFFFAOYSA-N -1 1 271.276 2.703 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3cnoc3C)cc2[n-]1 ZINC001242602955 781633072 /nfs/dbraw/zinc/63/30/72/781633072.db2.gz PZVPYLXJEORJAT-UHFFFAOYSA-N -1 1 271.276 2.703 20 0 CFADMM Fc1cc(-c2ccc(-c3nnn[n-]3)nc2)cc(F)c1Cl ZINC001242796169 781763191 /nfs/dbraw/zinc/76/31/91/781763191.db2.gz ANDNBAQDIJJFLZ-UHFFFAOYSA-N -1 1 293.664 2.860 20 0 CFADMM Fc1cc(-c2ccc(-c3nn[n-]n3)nc2)cc(F)c1Cl ZINC001242796169 781763193 /nfs/dbraw/zinc/76/31/93/781763193.db2.gz ANDNBAQDIJJFLZ-UHFFFAOYSA-N -1 1 293.664 2.860 20 0 CFADMM COC(=O)c1cnc(-c2cccc([O-])c2Cl)c(C)n1 ZINC001242797375 781763881 /nfs/dbraw/zinc/76/38/81/781763881.db2.gz HFBCKUSIRYUPLO-UHFFFAOYSA-N -1 1 278.695 2.598 20 0 CFADMM [O-]c1cccc(-c2cc(-n3ccnc3)ncn2)c1Cl ZINC001242797775 781763904 /nfs/dbraw/zinc/76/39/04/781763904.db2.gz LNHNAQIKBOPXOE-UHFFFAOYSA-N -1 1 272.695 2.688 20 0 CFADMM CON(C)C(=O)c1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242799151 781764200 /nfs/dbraw/zinc/76/42/00/781764200.db2.gz WPRQOQKOAVWEOM-UHFFFAOYSA-N -1 1 292.722 2.741 20 0 CFADMM [O-]c1cccc(-c2cnc(N3CCC3)nc2)c1Cl ZINC001242800281 781765082 /nfs/dbraw/zinc/76/50/82/781765082.db2.gz MCNWMOIHARHURV-UHFFFAOYSA-N -1 1 261.712 2.713 20 0 CFADMM O=C1NCc2cccc(-c3cccc([O-])c3Cl)c21 ZINC001242799451 781766085 /nfs/dbraw/zinc/76/60/85/781766085.db2.gz LNCQAGGKNYQIFN-UHFFFAOYSA-N -1 1 259.692 2.956 20 0 CFADMM CON(C)C(=O)c1ncccc1-c1cccc([O-])c1Cl ZINC001242802294 781767058 /nfs/dbraw/zinc/76/70/58/781767058.db2.gz VSTBAFKXQUTXPS-UHFFFAOYSA-N -1 1 292.722 2.741 20 0 CFADMM O=c1cnc(-c2cccc([O-])c2Cl)cn1C1CCC1 ZINC001242801926 781767549 /nfs/dbraw/zinc/76/75/49/781767549.db2.gz HAZOZJPRRUYERE-UHFFFAOYSA-N -1 1 276.723 2.994 20 0 CFADMM CC(C)Cn1cc(-c2cccc([O-])c2Cl)ncc1=O ZINC001242802085 781767840 /nfs/dbraw/zinc/76/78/40/781767840.db2.gz QBRHHKZHBFONMO-UHFFFAOYSA-N -1 1 278.739 2.925 20 0 CFADMM CN(C)C(=O)c1ccc(-c2cccc([O-])c2Cl)cn1 ZINC001242803672 781768662 /nfs/dbraw/zinc/76/86/62/781768662.db2.gz XEORDOZXZGFFBG-UHFFFAOYSA-N -1 1 276.723 2.809 20 0 CFADMM C[C@@H]1CCc2[n-]n([C@@H]3CCCSC3)c(=O)c2C1 ZINC001119378917 781782361 /nfs/dbraw/zinc/78/23/61/781782361.db2.gz PORCYAWPMKVRFO-GMTAPVOTSA-N -1 1 252.383 2.516 20 0 CFADMM CC(C)(C)c1nc2nc[nH]c2c(-c2ccccc2C(=O)[O-])n1 ZINC001242879635 781818685 /nfs/dbraw/zinc/81/86/85/781818685.db2.gz YHXKUGYCFMZOLG-UHFFFAOYSA-N -1 1 296.330 2.967 20 0 CFADMM CC(C)(C)c1cnc(CN[C@H]2C=CC[C@H](C(=O)[O-])C2)s1 ZINC001119550110 781827252 /nfs/dbraw/zinc/82/72/52/781827252.db2.gz QZQGEQGVIAJXAT-QWRGUYRKSA-N -1 1 294.420 2.950 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc(C)cc3OC)nc2[n-]1 ZINC001242980461 781898603 /nfs/dbraw/zinc/89/86/03/781898603.db2.gz HMHVNJAOPSJUDS-UHFFFAOYSA-N -1 1 297.314 2.680 20 0 CFADMM CC[C@H](CSC)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000124341738 187133483 /nfs/dbraw/zinc/13/34/83/187133483.db2.gz XDWWMLZLZYWYKB-SNVBAGLBSA-N -1 1 271.357 2.745 20 0 CFADMM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cncc([O-])c1 ZINC000296269888 297220392 /nfs/dbraw/zinc/22/03/92/297220392.db2.gz XRZZBDWSBFKZOT-SCZZXKLOSA-N -1 1 288.269 2.590 20 0 CFADMM C[C@H]1CC[C@H](C)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000128681285 290628179 /nfs/dbraw/zinc/62/81/79/290628179.db2.gz HQTUYNBOCMGSIT-UWVGGRQHSA-N -1 1 251.301 2.792 20 0 CFADMM O=C([O-])[C@H]1CCC[N@@H+](Cc2sccc2Cl)C1 ZINC000309227549 290013986 /nfs/dbraw/zinc/01/39/86/290013986.db2.gz CINGOXHOHBNEEG-QMMMGPOBSA-N -1 1 259.758 2.698 20 0 CFADMM Cc1nn(-c2ccccc2)cc1NC(=O)c1cncc([O-])c1 ZINC000183358565 282247415 /nfs/dbraw/zinc/24/74/15/282247415.db2.gz RMPOWCOJOFSPMS-UHFFFAOYSA-N -1 1 294.314 2.534 20 0 CFADMM O=C(N[C@@H]1CCCC12CCOCC2)c1cc(F)ccc1[O-] ZINC000282523664 295717559 /nfs/dbraw/zinc/71/75/59/295717559.db2.gz OWUZTDZXXDWSEJ-CQSZACIVSA-N -1 1 293.338 2.610 20 0 CFADMM CN(Cc1cccc2[nH]ccc21)C(=O)c1ncccc1[O-] ZINC000427967101 529996342 /nfs/dbraw/zinc/99/63/42/529996342.db2.gz FPGZFYBOBGYIBT-UHFFFAOYSA-N -1 1 281.315 2.541 20 0 CFADMM O=C(Nc1ccc(N2CCCC2)cn1)c1ccccc1[O-] ZINC000075430953 347076991 /nfs/dbraw/zinc/07/69/91/347076991.db2.gz HZQPNAVIKRUXBY-UHFFFAOYSA-N -1 1 283.331 2.640 20 0 CFADMM Cc1cc(C)c(CNC(=O)c2cncc([O-])c2)c(C)c1 ZINC000111560624 232192908 /nfs/dbraw/zinc/19/29/08/232192908.db2.gz BFOCIHLPDFPBAL-UHFFFAOYSA-N -1 1 270.332 2.642 20 0 CFADMM COc1cc(F)c(NC(=O)c2ccccc2[O-])cc1F ZINC000163275882 232257113 /nfs/dbraw/zinc/25/71/13/232257113.db2.gz OOUWAGWCPQCMEG-UHFFFAOYSA-N -1 1 279.242 2.931 20 0 CFADMM C[C@@]1(CNC(=O)c2cc(F)ccc2[O-])CCCS1 ZINC000163129196 232257153 /nfs/dbraw/zinc/25/71/53/232257153.db2.gz GYUQUFWQJHWQTA-ZDUSSCGKSA-N -1 1 269.341 2.547 20 0 CFADMM CCOc1ncccc1NC(=O)c1cc(F)ccc1[O-] ZINC000179419509 232396646 /nfs/dbraw/zinc/39/66/46/232396646.db2.gz VNXIGMPSENDCCF-UHFFFAOYSA-N -1 1 276.267 2.577 20 0 CFADMM CCNc1nnc(SCC(=O)c2ccc([O-])cc2)s1 ZINC000008250857 346223327 /nfs/dbraw/zinc/22/33/27/346223327.db2.gz JXGFTJWWBIDVNI-UHFFFAOYSA-N -1 1 295.389 2.651 20 0 CFADMM CCCc1cc(=O)[n-]c(SCCOc2ccccc2)n1 ZINC000041627530 346354382 /nfs/dbraw/zinc/35/43/82/346354382.db2.gz DCLURYJYAMLDHI-UHFFFAOYSA-N -1 1 290.388 2.894 20 0 CFADMM CCc1nnsc1C(=O)[N-]c1c(F)cccc1F ZINC000061039116 346674888 /nfs/dbraw/zinc/67/48/88/346674888.db2.gz UBMALQRLMYKQPP-UHFFFAOYSA-N -1 1 269.276 2.631 20 0 CFADMM CC(C)(C)c1cnc(CN2CCC[C@@](C)(C(=O)[O-])C2)o1 ZINC000062876423 346692497 /nfs/dbraw/zinc/69/24/97/346692497.db2.gz IZUKEFWRSWRGDT-OAHLLOKOSA-N -1 1 280.368 2.659 20 0 CFADMM O=S(=O)([N-]CCCC1CC1)c1cc(F)c(F)cc1F ZINC000076297726 347132984 /nfs/dbraw/zinc/13/29/84/347132984.db2.gz DXBSVANBDOWEDW-UHFFFAOYSA-N -1 1 293.310 2.572 20 0 CFADMM COc1ccccc1C=CC=C1SC(=O)[N-]C1=O ZINC000078371780 347247590 /nfs/dbraw/zinc/24/75/90/347247590.db2.gz XFHFASLCHKCETQ-JRRWEWNMSA-N -1 1 261.302 2.575 20 0 CFADMM O=C([O-])C[C@H]1CCCCN1Cc1ccn(C2CCCC2)n1 ZINC000069996957 539557797 /nfs/dbraw/zinc/55/77/97/539557797.db2.gz DDEWJPSLHRQTTH-OAHLLOKOSA-N -1 1 291.395 2.827 20 0 CFADMM CN(Cc1ccc[nH]1)C(=O)c1ccc(Cl)cc1[O-] ZINC000080976659 347392347 /nfs/dbraw/zinc/39/23/47/347392347.db2.gz WOZYPRDLJHEONK-UHFFFAOYSA-N -1 1 264.712 2.646 20 0 CFADMM COCCCCC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084937250 347477376 /nfs/dbraw/zinc/47/73/76/347477376.db2.gz IPTOBFUAUKKNBQ-UHFFFAOYSA-N -1 1 297.376 2.528 20 0 CFADMM Cc1cccc([C@@H]2CCCCCN2Cc2n[nH]c(=O)[n-]2)c1 ZINC000091579087 347593041 /nfs/dbraw/zinc/59/30/41/347593041.db2.gz OAVBLICDQMEYLB-AWEZNQCLSA-N -1 1 286.379 2.524 20 0 CFADMM CCCC(=CC(=O)NCc1n[n-]c(=S)n1C)CCC ZINC000092411942 347623472 /nfs/dbraw/zinc/62/34/72/347623472.db2.gz GFBKIZYZAOBBOB-UHFFFAOYSA-N -1 1 282.413 2.620 20 0 CFADMM CCCN(CC1CC1)C(=O)c1cc(F)ccc1[O-] ZINC000128622631 187380288 /nfs/dbraw/zinc/38/02/88/187380288.db2.gz BRVWZOUPNVGWRB-UHFFFAOYSA-N -1 1 251.301 2.794 20 0 CFADMM C[C@H](O)C1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000094157251 347693469 /nfs/dbraw/zinc/69/34/69/347693469.db2.gz COEYDMANRNJLDJ-LBPRGKRZSA-N -1 1 299.370 2.778 20 0 CFADMM CN(C(=O)c1cncc([O-])c1)[C@@H]1CCCc2ccccc21 ZINC000111775479 347756125 /nfs/dbraw/zinc/75/61/25/347756125.db2.gz RGRFVEAXAQNYGT-MRXNPFEDSA-N -1 1 282.343 2.937 20 0 CFADMM COCc1cccc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000171328946 348075075 /nfs/dbraw/zinc/07/50/75/348075075.db2.gz GZEMUUOJKMWBQF-UHFFFAOYSA-N -1 1 291.372 2.942 20 0 CFADMM O=c1cc(C(F)F)nc(SC[C@@H]2CCCC[C@@H]2O)[n-]1 ZINC000413006009 233000067 /nfs/dbraw/zinc/00/00/67/233000067.db2.gz XUOLBBKHRGLLQJ-CBAPKCEASA-N -1 1 290.335 2.763 20 0 CFADMM O=c1cc(C(F)F)nc(SC[C@H]2CCCC[C@@H]2O)[n-]1 ZINC000413006007 233000393 /nfs/dbraw/zinc/00/03/93/233000393.db2.gz XUOLBBKHRGLLQJ-APPZFPTMSA-N -1 1 290.335 2.763 20 0 CFADMM C[C@]1(CCCO)CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000273355523 192124305 /nfs/dbraw/zinc/12/43/05/192124305.db2.gz UWQUWZRZNBKEPD-OAHLLOKOSA-N -1 1 297.782 2.813 20 0 CFADMM Cc1cnc(SCC(=O)C2CCCCC2)[n-]c1=O ZINC000381444201 348526854 /nfs/dbraw/zinc/52/68/54/348526854.db2.gz NAHMDIOWTAGZJA-UHFFFAOYSA-N -1 1 266.366 2.732 20 0 CFADMM CCOc1ccc([C@H](C)NC(=O)c2ncccc2[O-])cc1 ZINC000586740220 348747887 /nfs/dbraw/zinc/74/78/87/348747887.db2.gz OGYRTMBLCRFSCI-NSHDSACASA-N -1 1 286.331 2.677 20 0 CFADMM COC1([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])CCC1 ZINC000413971355 233144902 /nfs/dbraw/zinc/14/49/02/233144902.db2.gz IBEIBQBIRUKWHT-SECBINFHSA-N -1 1 283.755 2.733 20 0 CFADMM CCC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000591813688 349046111 /nfs/dbraw/zinc/04/61/11/349046111.db2.gz UZYJYSVBEMTUSO-ZETCQYMHSA-N -1 1 281.299 2.571 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)[C@H]2CCC(C)=C(C)C2)[n-]1 ZINC000592630158 349144225 /nfs/dbraw/zinc/14/42/25/349144225.db2.gz GTWVROCIJBCVPN-NSHDSACASA-N -1 1 291.351 2.661 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2CCC(C)=C(C)C2)n1 ZINC000592630158 349144228 /nfs/dbraw/zinc/14/42/28/349144228.db2.gz GTWVROCIJBCVPN-NSHDSACASA-N -1 1 291.351 2.661 20 0 CFADMM CSCCCN(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000597618555 350117925 /nfs/dbraw/zinc/11/79/25/350117925.db2.gz QZGYJLNKGJWDPQ-UHFFFAOYSA-N -1 1 290.388 2.766 20 0 CFADMM CC(C)N(C)CC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000271264641 191038043 /nfs/dbraw/zinc/03/80/43/191038043.db2.gz HJEXIWSALDEIQJ-UHFFFAOYSA-N -1 1 291.178 2.978 20 0 CFADMM COc1ccc(C2(C[N-]C(=O)C(F)(F)F)CCC2)cc1 ZINC000091362353 180141789 /nfs/dbraw/zinc/14/17/89/180141789.db2.gz XPNNNWAESRLSSV-UHFFFAOYSA-N -1 1 287.281 2.795 20 0 CFADMM O=C(Nc1cc(F)c(F)cc1F)c1ccc(O)cc1[O-] ZINC000105377256 186054639 /nfs/dbraw/zinc/05/46/39/186054639.db2.gz HKRQMSZFDRZJBK-UHFFFAOYSA-N -1 1 283.205 2.767 20 0 CFADMM CCC(C)(C)[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000132779994 539789407 /nfs/dbraw/zinc/78/94/07/539789407.db2.gz HHUHJBPKTOFMFS-LBPRGKRZSA-N -1 1 262.353 2.828 20 0 CFADMM CCOc1ccc(NC(=O)c2cncc([O-])c2)c(C)c1 ZINC000109042263 186240572 /nfs/dbraw/zinc/24/05/72/186240572.db2.gz NRDUQWOBMCSSIM-UHFFFAOYSA-N -1 1 272.304 2.747 20 0 CFADMM COC(=O)CCCCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000601088252 350665170 /nfs/dbraw/zinc/66/51/70/350665170.db2.gz OCMYUVNBTCAYSU-UHFFFAOYSA-N -1 1 296.392 2.803 20 0 CFADMM COC(=O)c1cc(-n2[n-]c3c(c2=O)[C@H](C)CC3)ccc1C ZINC000601949899 350817151 /nfs/dbraw/zinc/81/71/51/350817151.db2.gz LQWWGDKWWGSFGY-YGRLFVJLSA-N -1 1 286.331 2.530 20 0 CFADMM CS[C@@H](C)CNC(=O)N=c1[n-]sc2ccccc21 ZINC000603050599 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ZINC000676055762 541722586 /nfs/dbraw/zinc/72/25/86/541722586.db2.gz NGGXAKUUAXMWSJ-UHFFFAOYSA-N -1 1 275.279 2.857 20 0 CFADMM Cc1nc(S[C@H](C)C(=O)OC(C)(C)C)[n-]c(=O)c1C ZINC000330680449 203109550 /nfs/dbraw/zinc/10/95/50/203109550.db2.gz NXHQIBQERYBOQH-SECBINFHSA-N -1 1 284.381 2.621 20 0 CFADMM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc([O-])c(F)c2F)O1 ZINC000456781885 244284802 /nfs/dbraw/zinc/28/48/02/244284802.db2.gz JZFFCHRVBUPNIV-BDAKNGLRSA-N -1 1 285.290 2.957 20 0 CFADMM COCC1(CNC(=O)c2c(F)ccc([O-])c2F)CCCC1 ZINC000456865497 244310968 /nfs/dbraw/zinc/31/09/68/244310968.db2.gz GJCOAXJDIXQNOZ-UHFFFAOYSA-N -1 1 299.317 2.607 20 0 CFADMM C[C@](Cc1ccccc1)(NC(=O)c1cncc([O-])c1)C1CC1 ZINC000457058827 244374879 /nfs/dbraw/zinc/37/48/79/244374879.db2.gz YVFISWWWIZDKTJ-GOSISDBHSA-N -1 1 296.370 2.928 20 0 CFADMM Cc1cnc(C(=O)N([C@@H](C)C(C)C)C2CC2)c([O-])c1 ZINC000332015981 204393505 /nfs/dbraw/zinc/39/35/05/204393505.db2.gz UWDCXIUPIGJCRN-NSHDSACASA-N -1 1 262.353 2.745 20 0 CFADMM COc1ccc(C(=O)Nc2ccccc2OC)c([O-])c1 ZINC000019838014 372193962 /nfs/dbraw/zinc/19/39/62/372193962.db2.gz TWSCPCATKBOMSI-UHFFFAOYSA-N -1 1 273.288 2.662 20 0 CFADMM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000333170309 205088754 /nfs/dbraw/zinc/08/87/54/205088754.db2.gz PPEUMHPXSGLUPN-MNOVXSKESA-N -1 1 288.438 2.617 20 0 CFADMM CC(C)c1nccn1CC(=O)Nc1ccc([O-])c(F)c1F ZINC000636006224 383685332 /nfs/dbraw/zinc/68/53/32/383685332.db2.gz XJLOWTLWKIYHOV-UHFFFAOYSA-N -1 1 295.289 2.629 20 0 CFADMM CN(CCCC(=O)[O-])Cc1ccccc1Br ZINC000042307842 372903930 /nfs/dbraw/zinc/90/39/30/372903930.db2.gz JBNRYVLFPGMMAI-UHFFFAOYSA-N -1 1 286.169 2.746 20 0 CFADMM CSc1ccccc1[N-]C(=O)c1cnns1 ZINC000047410762 373091836 /nfs/dbraw/zinc/09/18/36/373091836.db2.gz LZFWZNDKMXSVIU-UHFFFAOYSA-N -1 1 251.336 2.512 20 0 CFADMM Cc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000047556992 373101944 /nfs/dbraw/zinc/10/19/44/373101944.db2.gz FWXUWRALFPAMON-UHFFFAOYSA-N -1 1 276.723 2.679 20 0 CFADMM CN(C[C@H]1CCCO1)C(=O)c1ccc2ccccc2c1[O-] ZINC000048950410 373235515 /nfs/dbraw/zinc/23/55/15/373235515.db2.gz HTIIDMPUSYKPQC-CYBMUJFWSA-N -1 1 285.343 2.796 20 0 CFADMM C[C@H]1SCC[C@@H]1N=c1[n-]c(C(F)(F)F)cs1 ZINC000645398711 383690219 /nfs/dbraw/zinc/69/02/19/383690219.db2.gz DCTKSUAJXPZDFI-RITPCOANSA-N -1 1 268.329 2.890 20 0 CFADMM COc1ccc(NC(=O)c2ccc(OC)cc2[O-])c(C)c1 ZINC000061568545 373720252 /nfs/dbraw/zinc/72/02/52/373720252.db2.gz LXTFYHYROPJEMS-UHFFFAOYSA-N -1 1 287.315 2.970 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@@H]2CCCC[C@@H]21 ZINC000048194654 296209954 /nfs/dbraw/zinc/20/99/54/296209954.db2.gz BSXMYKZBAGLFJA-GXTWGEPZSA-N -1 1 295.766 2.829 20 0 CFADMM CCc1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1 ZINC000491559447 541916023 /nfs/dbraw/zinc/91/60/23/541916023.db2.gz KVVMMNGJCBEUKL-UHFFFAOYSA-N -1 1 251.289 2.548 20 0 CFADMM C[C@@H]1CC[C@H](CSc2nc(C3CC3)cc(=O)[n-]2)O1 ZINC000277835434 193773459 /nfs/dbraw/zinc/77/34/59/193773459.db2.gz YYQYNFZJYDIOPH-PSASIEDQSA-N -1 1 266.366 2.719 20 0 CFADMM CC(C)(C[N-]C(=O)C(F)(F)F)c1cccs1 ZINC000083601534 374753214 /nfs/dbraw/zinc/75/32/14/374753214.db2.gz VUGPZEODBIWNOQ-UHFFFAOYSA-N -1 1 251.273 2.704 20 0 CFADMM CC[C@H](C)[C@@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000081589518 374707975 /nfs/dbraw/zinc/70/79/75/374707975.db2.gz INJTXXUPFYNSKJ-VHSXEESVSA-N -1 1 293.411 2.540 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1C[C@H]2CCCC[C@@H]2C1 ZINC000181254321 296222523 /nfs/dbraw/zinc/22/25/23/296222523.db2.gz PTYIFHKPNYQPSH-GHMZBOCLSA-N -1 1 263.312 2.794 20 0 CFADMM C[C@H]1C[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C[C@@H](C)C1 ZINC000253543947 189994357 /nfs/dbraw/zinc/99/43/57/189994357.db2.gz KCHWMCJEYWLJLV-GDNZZTSVSA-N -1 1 299.374 2.890 20 0 CFADMM C[C@@]1(C(=O)Nc2ccc([O-])c(Cl)c2)CCCO1 ZINC000094789734 375379765 /nfs/dbraw/zinc/37/97/65/375379765.db2.gz QUATZLNPFYLGKR-LBPRGKRZSA-N -1 1 255.701 2.553 20 0 CFADMM CCCC[C@@H](Sc1nc(CCC)cc(=O)[n-]1)C(=O)OC ZINC000097599807 375571743 /nfs/dbraw/zinc/57/17/43/375571743.db2.gz YMMPUSUOOUOMGQ-LLVKDONJSA-N -1 1 298.408 2.959 20 0 CFADMM CN(CC(F)F)C(=O)c1cc2ccccc2cc1[O-] ZINC000103398331 375741440 /nfs/dbraw/zinc/74/14/40/375741440.db2.gz XYUSYERXSAJDHL-UHFFFAOYSA-N -1 1 265.259 2.883 20 0 CFADMM C[C@H](NC(=O)c1cncc([O-])c1)c1cccc(Cl)c1 ZINC000104419368 375782799 /nfs/dbraw/zinc/78/27/99/375782799.db2.gz RFEMLVBPSLJOPM-VIFPVBQESA-N -1 1 276.723 2.932 20 0 CFADMM O=C(NCCCCCc1ccccc1)c1cncc([O-])c1 ZINC000111599034 375856264 /nfs/dbraw/zinc/85/62/64/375856264.db2.gz VIDQKDOTLGVUMI-UHFFFAOYSA-N -1 1 284.359 2.930 20 0 CFADMM CC(C)OCc1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000111579891 375856316 /nfs/dbraw/zinc/85/63/16/375856316.db2.gz AFMCDPRNXUTXDU-UHFFFAOYSA-N -1 1 286.331 2.965 20 0 CFADMM CC(C)OCc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000111581465 375856674 /nfs/dbraw/zinc/85/66/74/375856674.db2.gz TUTHMPPHAJMWRU-UHFFFAOYSA-N -1 1 286.331 2.965 20 0 CFADMM COc1ccccc1[C@@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000111599875 375856742 /nfs/dbraw/zinc/85/67/42/375856742.db2.gz GZTXRGMDYDCPDD-HNNXBMFYSA-N -1 1 298.342 2.773 20 0 CFADMM CN(C(=O)c1cncc([O-])c1)[C@H]1CCc2ccccc21 ZINC000111775309 375868729 /nfs/dbraw/zinc/86/87/29/375868729.db2.gz VNWUDNXTAORYLY-HNNXBMFYSA-N -1 1 268.316 2.547 20 0 CFADMM CCc1ccc(CN(C)C(=O)c2cncc([O-])c2)cc1 ZINC000111775326 375869051 /nfs/dbraw/zinc/86/90/51/375869051.db2.gz LKDGVPOXLACRAN-UHFFFAOYSA-N -1 1 270.332 2.622 20 0 CFADMM C[C@H](CCNC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000111772394 375869125 /nfs/dbraw/zinc/86/91/25/375869125.db2.gz VWNJIYPIURCFHC-GFCCVEGCSA-N -1 1 270.332 2.711 20 0 CFADMM O=C(NCc1ccccc1C(F)(F)F)c1cncc([O-])c1 ZINC000111772349 375869703 /nfs/dbraw/zinc/86/97/03/375869703.db2.gz PXXIDOBIPQTZKB-UHFFFAOYSA-N -1 1 296.248 2.736 20 0 CFADMM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000112707872 375950201 /nfs/dbraw/zinc/95/02/01/375950201.db2.gz SWCJCURAGKMIFL-ZETCQYMHSA-N -1 1 293.310 2.571 20 0 CFADMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ncccc1[O-] ZINC000115721317 376148478 /nfs/dbraw/zinc/14/84/78/376148478.db2.gz DYZLLRVEAICIMN-OCCSQVGLSA-N -1 1 282.343 2.805 20 0 CFADMM Cc1cc(Cl)cc(NC(=O)c2cncc([O-])c2)c1O ZINC000116978826 376219767 /nfs/dbraw/zinc/21/97/67/376219767.db2.gz RDXVRFRXODCHEC-UHFFFAOYSA-N -1 1 278.695 2.707 20 0 CFADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)c1c([O-])cccc1F ZINC000119806683 376477142 /nfs/dbraw/zinc/47/71/42/376477142.db2.gz BBZJBLYBOFPNRN-FZMZJTMJSA-N -1 1 295.354 2.856 20 0 CFADMM Cc1ccc(CSc2nc(C)c(C)c(=O)[n-]2)nc1 ZINC000679009583 542108760 /nfs/dbraw/zinc/10/87/60/542108760.db2.gz NWTRKJYQOWCAMH-UHFFFAOYSA-N -1 1 261.350 2.795 20 0 CFADMM CCCc1cnc(NC([O-])=NO[C@@H]2CCCCO2)s1 ZINC000121291652 376799078 /nfs/dbraw/zinc/79/90/78/376799078.db2.gz AIQSUVFUVQLLRR-SNVBAGLBSA-N -1 1 285.369 2.675 20 0 CFADMM CCCc1cnc(NC(=O)[N-]O[C@@H]2CCCCO2)s1 ZINC000121291652 376799089 /nfs/dbraw/zinc/79/90/89/376799089.db2.gz AIQSUVFUVQLLRR-SNVBAGLBSA-N -1 1 285.369 2.675 20 0 CFADMM O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000121327732 376806049 /nfs/dbraw/zinc/80/60/49/376806049.db2.gz FNLPRKPWNVKECC-FZMZJTMJSA-N -1 1 295.766 2.733 20 0 CFADMM Cc1nscc1C(=O)Nc1c([O-])cccc1F ZINC000679173528 542130555 /nfs/dbraw/zinc/13/05/55/542130555.db2.gz KWYIXKMRFMCYDD-UHFFFAOYSA-N -1 1 252.270 2.549 20 0 CFADMM C[C@@H]1CCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000124308991 377034663 /nfs/dbraw/zinc/03/46/63/377034663.db2.gz KOQZWXIIYDMKAG-MRVPVSSYSA-N -1 1 284.153 2.779 20 0 CFADMM NC(=O)[C@H]([N-]c1nc2ccccc2o1)c1ccc(F)cc1 ZINC000129659488 377456623 /nfs/dbraw/zinc/45/66/23/377456623.db2.gz SUJIQNPANDHURZ-CYBMUJFWSA-N -1 1 285.278 2.605 20 0 CFADMM Cc1ccc(C[S@](=O)C=C([O-])c2ccc[nH]2)cc1C ZINC000129701790 377462242 /nfs/dbraw/zinc/46/22/42/377462242.db2.gz MZUVAHOPLPMVKN-LJQANCHMSA-N -1 1 275.373 2.763 20 0 CFADMM O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1cncc([O-])c1 ZINC000131613085 377738464 /nfs/dbraw/zinc/73/84/64/377738464.db2.gz MNXCFMMEVYGSKQ-ZIAGYGMSSA-N -1 1 288.734 2.727 20 0 CFADMM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000132284426 377823072 /nfs/dbraw/zinc/82/30/72/377823072.db2.gz XXGCCMJKJAETMO-NEPJUHHUSA-N -1 1 262.353 2.828 20 0 CFADMM C[C@@H]1C[C@H](C)N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000134989058 378072681 /nfs/dbraw/zinc/07/26/81/378072681.db2.gz ZBRPGRBUOUMSLE-BDAKNGLRSA-N -1 1 253.729 2.916 20 0 CFADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@H]1CCOC1 ZINC000135039585 378076993 /nfs/dbraw/zinc/07/69/93/378076993.db2.gz SDXBIDGYGRTSGW-YPMHNXCESA-N -1 1 285.343 2.700 20 0 CFADMM O=C(Nc1cccc(OCCF)c1)c1ccc(O)cc1[O-] ZINC000151511264 378333342 /nfs/dbraw/zinc/33/33/42/378333342.db2.gz YYIQPHYLZOLHSR-UHFFFAOYSA-N -1 1 291.278 2.698 20 0 CFADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ncccc1[O-] ZINC000153516015 378495683 /nfs/dbraw/zinc/49/56/83/378495683.db2.gz AMXRVZXJRNUIQH-JTQLQIEISA-N -1 1 274.295 2.760 20 0 CFADMM CCc1cc(C(=O)Nc2ccc(Cl)cc2[O-])n[nH]1 ZINC000153648365 378502702 /nfs/dbraw/zinc/50/27/02/378502702.db2.gz GFYHBUKUKSIZRM-UHFFFAOYSA-N -1 1 265.700 2.583 20 0 CFADMM COc1cc(C(=O)N[C@@H]2CCC[C@@H]2C)cc(Cl)c1[O-] ZINC000153767782 378509736 /nfs/dbraw/zinc/50/97/36/378509736.db2.gz BAYSMAKTARHQRA-GZMMTYOYSA-N -1 1 283.755 2.973 20 0 CFADMM C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ncccc1[O-] ZINC000153839966 378516990 /nfs/dbraw/zinc/51/69/90/378516990.db2.gz AFKCUFJDAPLHDI-SRVKXCTJSA-N -1 1 260.337 2.580 20 0 CFADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C)cc(C)n2)c1 ZINC000153874056 378518651 /nfs/dbraw/zinc/51/86/51/378518651.db2.gz TWSFQVOBMINJMF-UHFFFAOYSA-N -1 1 299.330 2.615 20 0 CFADMM COc1cc(C(=O)N[C@@H]2C=CCCC2)cc(Cl)c1[O-] ZINC000153978880 378529506 /nfs/dbraw/zinc/52/95/06/378529506.db2.gz WGMHSXHXOARVMX-SNVBAGLBSA-N -1 1 281.739 2.893 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@H](C)C3(CCC3)C2)c([O-])c1 ZINC000330295200 378532582 /nfs/dbraw/zinc/53/25/82/378532582.db2.gz FNVJFSSTMIQCJQ-LBPRGKRZSA-N -1 1 274.364 2.748 20 0 CFADMM O=C(N[C@H](CCO)C1CCCCC1)c1ccc([O-])cc1F ZINC000154989301 378606799 /nfs/dbraw/zinc/60/67/99/378606799.db2.gz ILMJDGRSSWSRRD-OAHLLOKOSA-N -1 1 295.354 2.592 20 0 CFADMM CC(C)(C)[C@H](O)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000331354013 378676845 /nfs/dbraw/zinc/67/68/45/378676845.db2.gz PIEVRSHVPKXVTI-SSDOTTSWSA-N -1 1 296.314 2.700 20 0 CFADMM C[C@@H]1CC(C)(C)CN1C(=O)c1ccc([O-])cc1F ZINC000335203210 296284197 /nfs/dbraw/zinc/28/41/97/296284197.db2.gz WHYFQQZWHLBKPS-SECBINFHSA-N -1 1 251.301 2.792 20 0 CFADMM COc1cc(C(=O)N2C[C@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000334312313 379075044 /nfs/dbraw/zinc/07/50/44/379075044.db2.gz KRWHIQLHXKSKFM-YUMQZZPRSA-N -1 1 269.728 2.535 20 0 CFADMM CCCCCCC(=O)CSc1nc(C(=O)OC)c[n-]1 ZINC000278726668 194124806 /nfs/dbraw/zinc/12/48/06/194124806.db2.gz UBYVXRYDZCQUEG-UHFFFAOYSA-N -1 1 284.381 2.828 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H]1Cc1ccccc1 ZINC000335351982 379140638 /nfs/dbraw/zinc/14/06/38/379140638.db2.gz YTYDAINWRIGMNM-CQSZACIVSA-N -1 1 285.318 2.989 20 0 CFADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CC2(CCC2)O1 ZINC000335358916 379155329 /nfs/dbraw/zinc/15/53/29/379155329.db2.gz JJMBPWRVLZYPGZ-JTQLQIEISA-N -1 1 295.766 2.829 20 0 CFADMM O=C(Cc1ccccc1F)Nc1ccc(F)cc1[O-] ZINC000334376862 379188227 /nfs/dbraw/zinc/18/82/27/379188227.db2.gz WFQMGANOBOETHB-UHFFFAOYSA-N -1 1 263.243 2.852 20 0 CFADMM CN(C[C@@H]1CCCCO1)C(=O)c1ccc(Cl)cc1[O-] ZINC000048482291 412906965 /nfs/dbraw/zinc/90/69/65/412906965.db2.gz JTFNCSQDPSNGAQ-NSHDSACASA-N -1 1 283.755 2.687 20 0 CFADMM CCS(=O)(=O)[N-]c1ccc(-c2ccccc2)c(C)n1 ZINC000334383722 379200472 /nfs/dbraw/zinc/20/04/72/379200472.db2.gz LEYKGINPAQVSOV-UHFFFAOYSA-N -1 1 276.361 2.819 20 0 CFADMM C[C@@H]1CCN(Cc2cccc(F)c2F)C[C@H]1C(=O)[O-] ZINC000335421587 379266043 /nfs/dbraw/zinc/26/60/43/379266043.db2.gz DKRKRHUBBVKFGY-MWLCHTKSSA-N -1 1 269.291 2.507 20 0 CFADMM [O-]c1cccc(CN2CCO[C@@]3(CCSC3)C2)c1Cl ZINC000335424964 379272207 /nfs/dbraw/zinc/27/22/07/379272207.db2.gz UXDSSHVWQOMOAW-AWEZNQCLSA-N -1 1 299.823 2.754 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@H](CC(F)(F)F)C1 ZINC000335490157 379392016 /nfs/dbraw/zinc/39/20/16/379392016.db2.gz BVVNFCWSQMEBIQ-SECBINFHSA-N -1 1 288.269 2.592 20 0 CFADMM CO[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H]1C ZINC000335474969 379365302 /nfs/dbraw/zinc/36/53/02/379365302.db2.gz OOLOLAACEYMAGO-TVQRCGJNSA-N -1 1 283.755 2.543 20 0 CFADMM O=C(NCCc1ccc2ccccc2c1)c1cncc([O-])c1 ZINC000171863204 379423710 /nfs/dbraw/zinc/42/37/10/379423710.db2.gz NROPYTGHMMLNAE-UHFFFAOYSA-N -1 1 292.338 2.913 20 0 CFADMM CCO[C@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C[C@@H]1C ZINC000334546318 379499325 /nfs/dbraw/zinc/49/93/25/379499325.db2.gz TVUPKTUNBLZRRY-CABZTGNLSA-N -1 1 299.317 2.558 20 0 CFADMM Cc1cccc(-c2nc3ccc(F)cc3c(=O)[n-]2)n1 ZINC000048623188 412913956 /nfs/dbraw/zinc/91/39/56/412913956.db2.gz CKATXGYCXAWPQD-UHFFFAOYSA-N -1 1 255.252 2.845 20 0 CFADMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccccc3)cc21 ZINC000172515173 379586241 /nfs/dbraw/zinc/58/62/41/379586241.db2.gz HLCDFICYYJQFHM-UHFFFAOYSA-N -1 1 286.356 2.979 20 0 CFADMM C[C@H]1CCCN(Cc2cc(F)c(F)cc2F)[C@H]1C(=O)[O-] ZINC000334578350 379566214 /nfs/dbraw/zinc/56/62/14/379566214.db2.gz JERXWAWXEHLULD-ISVAXAHUSA-N -1 1 287.281 2.789 20 0 CFADMM C[C@@H]1[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1(F)F ZINC000335660442 379676129 /nfs/dbraw/zinc/67/61/29/379676129.db2.gz SCTYIOFWRNGERW-MLUIRONXSA-N -1 1 261.655 2.885 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000335661244 379677813 /nfs/dbraw/zinc/67/78/13/379677813.db2.gz FRSMTMBHGZTPFZ-XHDPSFHLSA-N -1 1 293.338 2.563 20 0 CFADMM O=S(=O)(C[C@H]1CCC(F)(F)C1)c1ccc([O-])cc1 ZINC000334667140 379735682 /nfs/dbraw/zinc/73/56/82/379735682.db2.gz UZGJHQLAVZZCMP-VIFPVBQESA-N -1 1 276.304 2.601 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC(OC(F)F)C1 ZINC000335676684 379705011 /nfs/dbraw/zinc/70/50/11/379705011.db2.gz PYCCYHPCEMZHKE-UHFFFAOYSA-N -1 1 293.269 2.609 20 0 CFADMM O=C(NC1Cc2ccccc2C1)c1c(F)ccc([O-])c1F ZINC000335728959 379794444 /nfs/dbraw/zinc/79/44/44/379794444.db2.gz CUAXXQBCRGDYNY-UHFFFAOYSA-N -1 1 289.281 2.568 20 0 CFADMM C[C@H](CN(Cc1cc(-c2ccco2)on1)C1CC1)C(=O)[O-] ZINC000571928721 383739978 /nfs/dbraw/zinc/73/99/78/383739978.db2.gz DUHRYAUGDRGGMY-SNVBAGLBSA-N -1 1 290.319 2.620 20 0 CFADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1c(F)cncc1F ZINC000335799183 379908700 /nfs/dbraw/zinc/90/87/00/379908700.db2.gz HRBSVSXYUXGVAE-SSDOTTSWSA-N -1 1 296.248 2.696 20 0 CFADMM CC1=C[C@H](C)CN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000335783056 379880630 /nfs/dbraw/zinc/88/06/30/379880630.db2.gz RYSJNGOIVLLPNB-NSHDSACASA-N -1 1 282.343 2.566 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@]2(CCSC2)C1 ZINC000334763545 379904539 /nfs/dbraw/zinc/90/45/39/379904539.db2.gz PDZVUFHZYIGDQA-HNNXBMFYSA-N -1 1 295.379 2.891 20 0 CFADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccncc1F ZINC000335842424 379979220 /nfs/dbraw/zinc/97/92/20/379979220.db2.gz ZSCODLSJGSRPHZ-MRVPVSSYSA-N -1 1 278.258 2.556 20 0 CFADMM Cc1cnc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000334852542 379931867 /nfs/dbraw/zinc/93/18/67/379931867.db2.gz GINNMHOJSNNMJO-QWHCGFSZSA-N -1 1 274.364 2.890 20 0 CFADMM CO[C@@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335215697 380021456 /nfs/dbraw/zinc/02/14/56/380021456.db2.gz JXVWGLSHKXJKID-LDYMZIIASA-N -1 1 285.290 2.814 20 0 CFADMM C[C@H]1[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)C1(F)F ZINC000335217458 380024670 /nfs/dbraw/zinc/02/46/70/380024670.db2.gz NVGAHQWNUANQDH-FFWSUHOLSA-N -1 1 263.190 2.510 20 0 CFADMM Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C)cc1O ZINC000335870116 380025300 /nfs/dbraw/zinc/02/53/00/380025300.db2.gz GNIWTKCTHHTBPD-UHFFFAOYSA-N -1 1 281.262 2.922 20 0 CFADMM CN1CCN(C(=O)c2ccccc2[O-])c2ccc(F)cc21 ZINC000175395610 380057155 /nfs/dbraw/zinc/05/71/55/380057155.db2.gz SNQRIZKMRCHXJJ-UHFFFAOYSA-N -1 1 286.306 2.628 20 0 CFADMM Cc1cc(C)nc([N-]S(=O)(=O)Cc2cccc(F)c2)c1 ZINC000335245771 380073606 /nfs/dbraw/zinc/07/36/06/380073606.db2.gz KBCBWKZHPKSYSX-UHFFFAOYSA-N -1 1 294.351 2.779 20 0 CFADMM Cc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1F ZINC000335913289 380098013 /nfs/dbraw/zinc/09/80/13/380098013.db2.gz VHLBDVGYOSVWMF-UHFFFAOYSA-N -1 1 273.263 2.661 20 0 CFADMM Cc1ncsc1NC(=O)c1c(F)ccc([O-])c1F ZINC000335998361 380215299 /nfs/dbraw/zinc/21/52/99/380215299.db2.gz YRSBHTRZKFCIBM-UHFFFAOYSA-N -1 1 270.260 2.688 20 0 CFADMM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1c(F)ccc([O-])c1F ZINC000335999702 380217396 /nfs/dbraw/zinc/21/73/96/380217396.db2.gz ZKTFXHWBQSNKHD-ZYHUDNBSSA-N -1 1 289.281 2.956 20 0 CFADMM O=C(N[C@H]1CC2CCC1CC2)c1c(F)ccc([O-])c1F ZINC000336345265 380325919 /nfs/dbraw/zinc/32/59/19/380325919.db2.gz NDKNRBCNBXULHH-AMUVOQDHSA-N -1 1 281.302 2.979 20 0 CFADMM COc1ccc(C(=O)N2CCc3cc(F)ccc32)c([O-])c1 ZINC000336545746 380447432 /nfs/dbraw/zinc/44/74/32/380447432.db2.gz RJTYSONINSNBRZ-UHFFFAOYSA-N -1 1 287.290 2.743 20 0 CFADMM Cc1ccc(NC(=O)c2c(F)ccc([O-])c2F)nc1 ZINC000336576790 380492628 /nfs/dbraw/zinc/49/26/28/380492628.db2.gz YUGULOZAMKRKKP-UHFFFAOYSA-N -1 1 264.231 2.626 20 0 CFADMM O=C(Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179640692 380566311 /nfs/dbraw/zinc/56/63/11/380566311.db2.gz GTYFHXYGXMUHTQ-UHFFFAOYSA-N -1 1 290.706 2.623 20 0 CFADMM CC(C)=CCCN=c1nc(C(F)(F)F)[n-]s1 ZINC000336684493 380590394 /nfs/dbraw/zinc/59/03/94/380590394.db2.gz STFKSMMSELZUIZ-UHFFFAOYSA-N -1 1 251.277 2.747 20 0 CFADMM CO[C@@H](C)c1nc(=N[C@@H]2CCC(C)(C)C2)s[n-]1 ZINC000336688725 380592682 /nfs/dbraw/zinc/59/26/82/380592682.db2.gz GHDOOBKYRGUYPN-DTWKUNHWSA-N -1 1 255.387 2.658 20 0 CFADMM CS[C@H]1CCC[C@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000181225238 380761055 /nfs/dbraw/zinc/76/10/55/380761055.db2.gz PFEZABIBXNVNBC-ONGXEEELSA-N -1 1 283.368 2.935 20 0 CFADMM C[C@@H](CCc1cccn1C)NC(=O)c1ccc([O-])cc1F ZINC000181239635 380762026 /nfs/dbraw/zinc/76/20/26/380762026.db2.gz BDWANHTZYRPGTP-NSHDSACASA-N -1 1 290.338 2.621 20 0 CFADMM CCO[C@H]1C[C@@H](NC(=O)c2ccc([O-])cc2F)C12CCC2 ZINC000181236106 380762158 /nfs/dbraw/zinc/76/21/58/380762158.db2.gz UMLFUJUGQCDZOY-KGLIPLIRSA-N -1 1 293.338 2.609 20 0 CFADMM O=C(NCCCc1ccccc1)c1ccc([O-])cc1F ZINC000181036982 380727300 /nfs/dbraw/zinc/72/73/00/380727300.db2.gz WDZOREHUZWPEIS-UHFFFAOYSA-N -1 1 273.307 2.894 20 0 CFADMM C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000181049651 380730193 /nfs/dbraw/zinc/73/01/93/380730193.db2.gz ALHSGGOWHWZZMC-ZANVPECISA-N -1 1 251.301 2.840 20 0 CFADMM COc1ccc(CN(C)C(=O)c2ccc([O-])cc2F)cc1 ZINC000181056824 380732463 /nfs/dbraw/zinc/73/24/63/380732463.db2.gz GFBPQKNTKBDUIU-UHFFFAOYSA-N -1 1 289.306 2.812 20 0 CFADMM Cc1n[nH]c(C(C)C)c1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000572038335 383749465 /nfs/dbraw/zinc/74/94/65/383749465.db2.gz DNQPPTWQGJAESZ-UHFFFAOYSA-N -1 1 287.319 2.792 20 0 CFADMM Cc1cnc(NC(=O)c2ccc([O-])cc2F)s1 ZINC000181080506 380735655 /nfs/dbraw/zinc/73/56/55/380735655.db2.gz LSVWDGHUULELFY-UHFFFAOYSA-N -1 1 252.270 2.549 20 0 CFADMM O=C(Nc1ccc(-n2cccn2)cc1)c1ccc([O-])cc1F ZINC000181122176 380744340 /nfs/dbraw/zinc/74/43/40/380744340.db2.gz FPRZWPQVORCMBQ-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCCC(=O)[O-] ZINC000181553662 380825904 /nfs/dbraw/zinc/82/59/04/380825904.db2.gz RZKMXXCEYRBNOO-ZFWWWQNUSA-N -1 1 277.364 2.703 20 0 CFADMM C[C@H]1CO[C@H](c2ccccc2)CN1CCCCC(=O)[O-] ZINC000181553662 380825907 /nfs/dbraw/zinc/82/59/07/380825907.db2.gz RZKMXXCEYRBNOO-ZFWWWQNUSA-N -1 1 277.364 2.703 20 0 CFADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000358531672 380905048 /nfs/dbraw/zinc/90/50/48/380905048.db2.gz FLTAFLMKXQSMDY-CMPLNLGQSA-N -1 1 280.393 2.581 20 0 CFADMM CCS[C@H]1CCCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000358531673 380905183 /nfs/dbraw/zinc/90/51/83/380905183.db2.gz FLTAFLMKXQSMDY-JQWIXIFHSA-N -1 1 280.393 2.581 20 0 CFADMM CC(C)(CNC(=O)c1ccc([O-])cc1F)c1ccccn1 ZINC000295515737 380908913 /nfs/dbraw/zinc/90/89/13/380908913.db2.gz QHEQGTREANSSCX-UHFFFAOYSA-N -1 1 288.322 2.634 20 0 CFADMM O=C(NCCCC1CCCC1)c1csc(=NC2CC2)[n-]1 ZINC000354014843 381020258 /nfs/dbraw/zinc/02/02/58/381020258.db2.gz OIXXERDVCVMGNA-UHFFFAOYSA-N -1 1 293.436 2.840 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC([C@@H]2CCOC2)C1 ZINC000368440546 381025441 /nfs/dbraw/zinc/02/54/41/381025441.db2.gz FDHCJJHFNASABV-CYBMUJFWSA-N -1 1 297.354 2.654 20 0 CFADMM Cc1cnc(C(=O)N[C@H](C)Cc2ccccc2F)c([O-])c1 ZINC000358655062 380993267 /nfs/dbraw/zinc/99/32/67/380993267.db2.gz XRIVMCGBOFESHB-LLVKDONJSA-N -1 1 288.322 2.596 20 0 CFADMM CC(C)(C)[C@@H]1CCCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000288048080 380998934 /nfs/dbraw/zinc/99/89/34/380998934.db2.gz FDGRVABLUZRDAH-CYBMUJFWSA-N -1 1 289.375 2.860 20 0 CFADMM Cc1cnc(C(=O)N(C)Cc2cccc(C)c2C)c([O-])c1 ZINC000358739925 381047097 /nfs/dbraw/zinc/04/70/97/381047097.db2.gz CACHSVRVTFHPLD-UHFFFAOYSA-N -1 1 284.359 2.985 20 0 CFADMM [O-]c1ccc(-c2noc(C3(CCF)CC3)n2)cc1F ZINC000289627036 381074435 /nfs/dbraw/zinc/07/44/35/381074435.db2.gz BUHYQAACWNUGFC-UHFFFAOYSA-N -1 1 266.247 2.973 20 0 CFADMM O=c1cc(C(F)F)nc(SCOC2CCC2)[n-]1 ZINC000289601442 381062151 /nfs/dbraw/zinc/06/21/51/381062151.db2.gz SXTHOVXRQSRUBH-UHFFFAOYSA-N -1 1 262.281 2.739 20 0 CFADMM CC(C)(C)C(C)(C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000341532763 381070655 /nfs/dbraw/zinc/07/06/55/381070655.db2.gz MQNZFBLJBMFUSY-UHFFFAOYSA-N -1 1 278.278 2.834 20 0 CFADMM O=C(NC[C@H]1CCCCC(F)(F)C1)c1ncccc1[O-] ZINC000358784342 381081620 /nfs/dbraw/zinc/08/16/20/381081620.db2.gz YBZLKRCCXVUOGR-JTQLQIEISA-N -1 1 284.306 2.733 20 0 CFADMM CCOC(=O)C1(C(=O)Nc2ccc([O-])c(Cl)c2)CCC1 ZINC000182866607 381174356 /nfs/dbraw/zinc/17/43/56/381174356.db2.gz SYKQBFIWZKYBDY-UHFFFAOYSA-N -1 1 297.738 2.718 20 0 CFADMM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182875780 381177535 /nfs/dbraw/zinc/17/75/35/381177535.db2.gz QGGKPXWPLGNMOL-GZMMTYOYSA-N -1 1 281.739 2.989 20 0 CFADMM C[C@@H]1[C@H](O)CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000295962139 381184744 /nfs/dbraw/zinc/18/47/44/381184744.db2.gz HKBPJTAESJSJMS-IAQYHMDHSA-N -1 1 285.343 2.531 20 0 CFADMM COc1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)ccn1 ZINC000358986256 381196183 /nfs/dbraw/zinc/19/61/83/381196183.db2.gz VOHMOVTUEWMRGS-UHFFFAOYSA-N 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AHYDMHSUVUENQX-GFCCVEGCSA-N -1 1 287.359 2.948 20 0 CFADMM COC(=O)c1c[n-]c(SC[C@H](C)CC(C)C)n1 ZINC000347773202 381341773 /nfs/dbraw/zinc/34/17/73/381341773.db2.gz GSDMTJRULWKKDX-SECBINFHSA-N -1 1 256.371 2.971 20 0 CFADMM O=C(NCCC[C@H]1CCCCO1)c1c(F)ccc([O-])c1F ZINC000290338255 381390273 /nfs/dbraw/zinc/39/02/73/381390273.db2.gz FFYBGGOZZIRHCP-SNVBAGLBSA-N -1 1 299.317 2.750 20 0 CFADMM Cc1cccc(C)c1[C@@H](C)NC(=O)c1cncc([O-])c1 ZINC000354769900 381445471 /nfs/dbraw/zinc/44/54/71/381445471.db2.gz IDGCKSHKYPWDDU-GFCCVEGCSA-N -1 1 270.332 2.895 20 0 CFADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1ccc2ncsc2c1 ZINC000354840449 381482321 /nfs/dbraw/zinc/48/23/21/381482321.db2.gz MHZJSVZYNMKXMS-SECBINFHSA-N -1 1 299.355 2.888 20 0 CFADMM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000412822247 381462010 /nfs/dbraw/zinc/46/20/10/381462010.db2.gz LKDIIRWQOGHYJQ-STQMWFEESA-N -1 1 262.353 2.732 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)c3cccc(C)n3)[nH][n-]2)s1 ZINC000354805940 381462962 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/nfs/dbraw/zinc/08/65/97/386086597.db2.gz COPJAMNWAGYSRW-UHFFFAOYSA-N -1 1 259.305 2.884 20 0 CFADMM O=C(Nc1ccc(-c2ncon2)cc1)c1ccc([O-])c(F)c1 ZINC000681039445 542403060 /nfs/dbraw/zinc/40/30/60/542403060.db2.gz STSOOFBWAZKMGI-UHFFFAOYSA-N -1 1 299.261 2.834 20 0 CFADMM Cc1cccc(CCNC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681038135 542403155 /nfs/dbraw/zinc/40/31/55/542403155.db2.gz ZTDKQGUUOCWQHH-UHFFFAOYSA-N -1 1 273.307 2.812 20 0 CFADMM CN(C(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCC[C@H]1O ZINC000288413720 197071965 /nfs/dbraw/zinc/07/19/65/197071965.db2.gz LWAIVSUSFCGNQC-HUUCEWRRSA-N -1 1 285.343 2.531 20 0 CFADMM O=C(N[C@@H]1CCc2c1cccc2O)c1ccc([O-])c(F)c1 ZINC000681046127 542403863 /nfs/dbraw/zinc/40/38/63/542403863.db2.gz CXEFYWVDGWDZNG-CYBMUJFWSA-N -1 1 287.290 2.654 20 0 CFADMM CCC[C@@H]1SCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681046769 542403954 /nfs/dbraw/zinc/40/39/54/542403954.db2.gz OMCTTXKWQXVSCR-LBPRGKRZSA-N -1 1 269.341 2.847 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H](c2ccco2)C1 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O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H]1C1CCOCC1 ZINC000681064959 542407488 /nfs/dbraw/zinc/40/74/88/542407488.db2.gz YSPHQZPYADDNBW-CQSZACIVSA-N -1 1 293.338 2.563 20 0 CFADMM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000681234275 542429148 /nfs/dbraw/zinc/42/91/48/542429148.db2.gz PXGWRNZQWXALNA-WMLDXEAASA-N -1 1 285.318 2.991 20 0 CFADMM O=C(NCc1ccc(Cl)o1)c1c([O-])cccc1F ZINC000681236309 542429733 /nfs/dbraw/zinc/42/97/33/542429733.db2.gz JYVPQEMHABYTFO-UHFFFAOYSA-N -1 1 269.659 2.708 20 0 CFADMM CC(C)C(NC(=O)c1c([O-])cccc1F)C(C)C ZINC000681321970 542440651 /nfs/dbraw/zinc/44/06/51/542440651.db2.gz BPNGDZVRQXRXNM-UHFFFAOYSA-N -1 1 253.317 2.942 20 0 CFADMM O=C(NCc1cccc2cc[nH]c21)c1ccc([O-])c(F)c1 ZINC000682549391 542567128 /nfs/dbraw/zinc/56/71/28/542567128.db2.gz VKORDNPZXBNUKD-UHFFFAOYSA-N -1 1 284.290 2.943 20 0 CFADMM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C)o2)cc1 ZINC000683171649 542649784 /nfs/dbraw/zinc/64/97/84/542649784.db2.gz OCOKGEJDBCCZSD-OAHLLOKOSA-N -1 1 289.331 2.902 20 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CFADMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc([O-])c(F)c1 ZINC000684075250 542760989 /nfs/dbraw/zinc/76/09/89/542760989.db2.gz YXSYZVOEEJEYLQ-GXTWGEPZSA-N -1 1 289.281 2.956 20 0 CFADMM C[C@@H]1SCC[C@@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000379836536 393554796 /nfs/dbraw/zinc/55/47/96/393554796.db2.gz DZICVSPRSIFNQE-XVKPBYJWSA-N -1 1 271.769 2.669 20 0 CFADMM CC[C@H](C)[C@@H](OC)C(=O)Nc1c([O-])cccc1F ZINC000684470879 542815407 /nfs/dbraw/zinc/81/54/07/542815407.db2.gz ONZXUIDGOPRFBG-QPUJVOFHSA-N -1 1 255.289 2.531 20 0 CFADMM COc1cccc(CN(C)Cc2cc(C)c(C(=O)[O-])o2)c1 ZINC000048894547 393608012 /nfs/dbraw/zinc/60/80/12/393608012.db2.gz UCKTTXDDFFBNIS-UHFFFAOYSA-N -1 1 289.331 2.927 20 0 CFADMM C[C@@]1(F)CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000334837363 393624569 /nfs/dbraw/zinc/62/45/69/393624569.db2.gz TYZYYGCQUDVUJV-GFCCVEGCSA-N -1 1 257.692 2.620 20 0 CFADMM Cc1cnc(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)c([O-])c1 ZINC000335302944 393659437 /nfs/dbraw/zinc/65/94/37/393659437.db2.gz CWRLHOSFZVROEZ-RYUDHWBXSA-N -1 1 274.364 2.746 20 0 CFADMM O=C(CCC(F)F)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000684563768 542827294 /nfs/dbraw/zinc/82/72/94/542827294.db2.gz ZSIPNOLVWKVCSS-UHFFFAOYSA-N -1 1 281.262 2.766 20 0 CFADMM COC[C@@H](NC(=O)c1ccc2ccccc2c1[O-])C(C)C ZINC000086702419 393755014 /nfs/dbraw/zinc/75/50/14/393755014.db2.gz PTQUOQDULCDPGK-OAHLLOKOSA-N -1 1 287.359 2.946 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCc2ccccc2CC1 ZINC000080028538 393722936 /nfs/dbraw/zinc/72/29/36/393722936.db2.gz YCTNIZJTYBKLBQ-UHFFFAOYSA-N -1 1 285.318 2.772 20 0 CFADMM CO[C@H](CNC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000080001660 393723122 /nfs/dbraw/zinc/72/31/22/393723122.db2.gz RIHKCIQLPPWSNJ-OAHLLOKOSA-N -1 1 289.306 2.649 20 0 CFADMM Cc1ccc(NC(=O)c2ccc([O-])cc2F)c(C)n1 ZINC000194945264 393724363 /nfs/dbraw/zinc/72/43/63/393724363.db2.gz FLNATLRUMUKNIC-UHFFFAOYSA-N -1 1 260.268 2.795 20 0 CFADMM C[C@@H](CC(F)F)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000411574461 393727448 /nfs/dbraw/zinc/72/74/48/393727448.db2.gz VHKOWJBXUPCXEZ-ZETCQYMHSA-N -1 1 285.319 2.790 20 0 CFADMM CCOC(=O)[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(C)C ZINC000195084047 393730844 /nfs/dbraw/zinc/73/08/44/393730844.db2.gz QCLCBAVJULSJRP-GFCCVEGCSA-N -1 1 296.392 2.739 20 0 CFADMM O=c1[n-]c(CN2CCCCC[C@@H]2/C=C/c2ccccc2)n[nH]1 ZINC000092619073 393789858 /nfs/dbraw/zinc/78/98/58/393789858.db2.gz FBEBFRHJWXTENC-AUECHBEKSA-N -1 1 298.390 2.556 20 0 CFADMM C[C@H](CC(=O)c1ccco1)NC(=O)c1cc(F)ccc1[O-] ZINC000092600883 393790242 /nfs/dbraw/zinc/79/02/42/393790242.db2.gz ZBBIVZJRDAOSHU-SECBINFHSA-N -1 1 291.278 2.516 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccoc2C(C)C)n1 ZINC000415645208 393814696 /nfs/dbraw/zinc/81/46/96/393814696.db2.gz HGEXOBNAHFRPPG-UHFFFAOYSA-N -1 1 291.307 2.555 20 0 CFADMM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC000415653367 393814897 /nfs/dbraw/zinc/81/48/97/393814897.db2.gz WVNCUSOOEYNLGY-MNOVXSKESA-N -1 1 293.367 2.741 20 0 CFADMM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC000415653367 393814898 /nfs/dbraw/zinc/81/48/98/393814898.db2.gz WVNCUSOOEYNLGY-MNOVXSKESA-N -1 1 293.367 2.741 20 0 CFADMM COC1CCC(NC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000458033361 393831274 /nfs/dbraw/zinc/83/12/74/393831274.db2.gz BJKRRQQOEOANDQ-UHFFFAOYSA-N -1 1 283.755 2.733 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@@H](C(=O)OCC)C(C)C)n1 ZINC000470900772 393901861 /nfs/dbraw/zinc/90/18/61/393901861.db2.gz DXANJDGTUFIFPA-GFCCVEGCSA-N -1 1 298.408 2.815 20 0 CFADMM O=C(N[C@H](CO)CC1CCCCC1)c1ccc([O-])cc1F ZINC000416323613 393904198 /nfs/dbraw/zinc/90/41/98/393904198.db2.gz GOFABDZXXRCOMI-LBPRGKRZSA-N -1 1 295.354 2.592 20 0 CFADMM C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1sccc1F ZINC000416507101 393923385 /nfs/dbraw/zinc/92/33/85/393923385.db2.gz JBQPTMWXGLLOON-MRVPVSSYSA-N -1 1 279.402 2.990 20 0 CFADMM Cc1cnc(C(=O)N2Cc3ccccc3O[C@@H](C)C2)c([O-])c1 ZINC000346648804 393932092 /nfs/dbraw/zinc/93/20/92/393932092.db2.gz FGQPHXBMFXWBLC-LBPRGKRZSA-N -1 1 298.342 2.519 20 0 CFADMM CC[C@@H](C[N-]S(=O)(=O)c1ccco1)CC(F)(F)F ZINC000416603002 393932447 /nfs/dbraw/zinc/93/24/47/393932447.db2.gz VGDSPJMVVKQLKD-MRVPVSSYSA-N -1 1 285.287 2.537 20 0 CFADMM CCc1cnccc1[C@H](C)NC(=O)c1cc(F)ccc1[O-] ZINC000436794250 394022234 /nfs/dbraw/zinc/02/22/34/394022234.db2.gz UPIKHYZYDVPUFC-JTQLQIEISA-N -1 1 288.322 2.980 20 0 CFADMM O=C([O-])C1(NCc2cc(Cl)sc2Cl)CC1 ZINC000417534992 393972521 /nfs/dbraw/zinc/97/25/21/393972521.db2.gz OVUDUTDGMRSXSO-UHFFFAOYSA-N -1 1 266.149 2.762 20 0 CFADMM O=C(Nc1nc2cc(F)ccc2[nH]1)c1cc(F)ccc1[O-] ZINC000436819108 394023841 /nfs/dbraw/zinc/02/38/41/394023841.db2.gz CHCDJZWFEUGWTA-UHFFFAOYSA-N -1 1 289.241 2.799 20 0 CFADMM O=C(Nc1nc2ccc(F)cc2[nH]1)c1ccc(F)cc1[O-] ZINC000436818921 394023926 /nfs/dbraw/zinc/02/39/26/394023926.db2.gz GMKNEQGFQRAYIR-UHFFFAOYSA-N -1 1 289.241 2.799 20 0 CFADMM CCc1ccc(C(=O)Nc2ccc(N(C)C)cn2)c([O-])c1 ZINC000436816631 394024049 /nfs/dbraw/zinc/02/40/49/394024049.db2.gz SWZBCCGJVZHULG-UHFFFAOYSA-N -1 1 285.347 2.668 20 0 CFADMM O=C(Nc1nc2cc(F)ccc2[nH]1)c1c(O)cccc1F ZINC000436820629 394024168 /nfs/dbraw/zinc/02/41/68/394024168.db2.gz HWAXXOJXRZRWSE-UHFFFAOYSA-N -1 1 289.241 2.799 20 0 CFADMM COCC[C@@H](NCc1cc2cc(C)c(C)cc2o1)C(=O)[O-] ZINC000417598359 393981080 /nfs/dbraw/zinc/98/10/80/393981080.db2.gz YVYWRWPMLBGUPZ-CQSZACIVSA-N -1 1 291.347 2.629 20 0 CFADMM CCOC[C@H](NCc1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC000417601316 393982201 /nfs/dbraw/zinc/98/22/01/393982201.db2.gz IBMMVBUZFPSMGW-NSHDSACASA-N -1 1 285.409 2.625 20 0 CFADMM COC[C@H](NCc1cc(-c2ccccc2)cs1)C(=O)[O-] ZINC000417616614 393984366 /nfs/dbraw/zinc/98/43/66/393984366.db2.gz BERNQIRDWHRWQT-AWEZNQCLSA-N -1 1 291.372 2.604 20 0 CFADMM CCCCn1nccc1NC(=O)c1ccccc1[O-] ZINC000124647782 393997617 /nfs/dbraw/zinc/99/76/17/393997617.db2.gz WOGSOSKPVGYXMV-UHFFFAOYSA-N -1 1 259.309 2.641 20 0 CFADMM Cc1oc(-c2ccccc2)nc1CN(C)CCCC(=O)[O-] ZINC000430671887 394003401 /nfs/dbraw/zinc/00/34/01/394003401.db2.gz RVLCELKAFMIUAC-UHFFFAOYSA-N -1 1 288.347 2.947 20 0 CFADMM CN(CCCC(=O)[O-])Cc1ncc(-c2ccccc2F)o1 ZINC000430675269 394003834 /nfs/dbraw/zinc/00/38/34/394003834.db2.gz FCIBRNOJOAJHKV-UHFFFAOYSA-N -1 1 292.310 2.777 20 0 CFADMM Cc1c(NC(=O)c2ccccc2[O-])cnn1CC(C)C ZINC000436960629 394038672 /nfs/dbraw/zinc/03/86/72/394038672.db2.gz HOVCXIBOHGMXOK-UHFFFAOYSA-N -1 1 273.336 2.805 20 0 CFADMM O=C(Nc1ccc2scnc2c1)C(=O)c1ccc([O-])cc1 ZINC000436960382 394038971 /nfs/dbraw/zinc/03/89/71/394038971.db2.gz DAEWSUKXBQZVBI-UHFFFAOYSA-N -1 1 298.323 2.823 20 0 CFADMM CC(C)(C)C(C)(C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000437001220 394042911 /nfs/dbraw/zinc/04/29/11/394042911.db2.gz KIQIFURNBTXMIU-UHFFFAOYSA-N -1 1 263.337 2.516 20 0 CFADMM Cc1nc(CNC(=O)c2c([O-])cccc2F)sc1C ZINC000127359832 394048490 /nfs/dbraw/zinc/04/84/90/394048490.db2.gz RPRJJUMABSQNSO-UHFFFAOYSA-N -1 1 280.324 2.535 20 0 CFADMM CCC1(C[N-]S(=O)(=O)c2cccc(F)c2F)CCC1 ZINC000437322416 394053156 /nfs/dbraw/zinc/05/31/56/394053156.db2.gz KGPZEVNKTLIBQK-UHFFFAOYSA-N -1 1 289.347 2.823 20 0 CFADMM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC000127878589 394058766 /nfs/dbraw/zinc/05/87/66/394058766.db2.gz VMAAZLJXFXSFMF-NEPJUHHUSA-N -1 1 262.353 2.828 20 0 CFADMM CC(C)C1(CNC(=O)c2c([O-])cccc2F)CC1 ZINC000128888952 394078448 /nfs/dbraw/zinc/07/84/48/394078448.db2.gz VGQOYZVYQRTJRF-UHFFFAOYSA-N -1 1 251.301 2.697 20 0 CFADMM Cc1cnc(C(=O)N[C@H]2CCOc3c(C)cccc32)c([O-])c1 ZINC000356692552 394079232 /nfs/dbraw/zinc/07/92/32/394079232.db2.gz IYVPWAMZSHEBCO-ZDUSSCGKSA-N -1 1 298.342 2.658 20 0 CFADMM Cc1cc(F)ccc1CCNC(=O)c1cc(F)ccc1[O-] ZINC000130178034 394104299 /nfs/dbraw/zinc/10/42/99/394104299.db2.gz LFHXZNQSOHXVAT-UHFFFAOYSA-N -1 1 291.297 2.951 20 0 CFADMM C[C@@H]1C[C@H](CCNC(=O)c2ccc(Cl)cc2[O-])CCO1 ZINC000436845146 394028416 /nfs/dbraw/zinc/02/84/16/394028416.db2.gz RHTZAWSHCPYMDG-GHMZBOCLSA-N -1 1 297.782 2.981 20 0 CFADMM C[C@H]1C[C@H](CCNC(=O)c2ccc(Cl)cc2[O-])CCO1 ZINC000436845149 394028978 /nfs/dbraw/zinc/02/89/78/394028978.db2.gz RHTZAWSHCPYMDG-WDEREUQCSA-N -1 1 297.782 2.981 20 0 CFADMM Cc1ccc(CNC(=O)C(=O)c2ccc([O-])cc2)c(C)c1 ZINC000436868700 394031016 /nfs/dbraw/zinc/03/10/16/394031016.db2.gz ICKXIORVSMMUFU-UHFFFAOYSA-N -1 1 283.327 2.508 20 0 CFADMM O=C(Nc1cccc(C2CC2)n1)c1ccc(O)cc1[O-] ZINC000436888827 394031527 /nfs/dbraw/zinc/03/15/27/394031527.db2.gz UKJINXQPPPPFMU-UHFFFAOYSA-N -1 1 270.288 2.623 20 0 CFADMM C[C@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000436891432 394031647 /nfs/dbraw/zinc/03/16/47/394031647.db2.gz IOZVUCNBBQDPPU-NSHDSACASA-N -1 1 281.311 2.725 20 0 CFADMM O=C(Nc1cccc2c1CCO2)c1cc(F)ccc1[O-] ZINC000436902596 394032950 /nfs/dbraw/zinc/03/29/50/394032950.db2.gz QNAVDBGHBXIBLO-UHFFFAOYSA-N -1 1 273.263 2.719 20 0 CFADMM COc1cc(NC(=O)c2ccc(O)cc2[O-])c(C)cc1C ZINC000436926565 394035191 /nfs/dbraw/zinc/03/51/91/394035191.db2.gz KKACACIITVGRMO-UHFFFAOYSA-N -1 1 287.315 2.976 20 0 CFADMM CC[C@H](CS(=O)(=O)[N-]c1ccccc1SC)OC ZINC000421138526 394176700 /nfs/dbraw/zinc/17/67/00/394176700.db2.gz IHGJWXPMJQYALA-SNVBAGLBSA-N -1 1 289.422 2.575 20 0 CFADMM Cc1cc(O)ccc1NC(=O)c1cn[nH]c1-c1ccncc1 ZINC000439259795 394107126 /nfs/dbraw/zinc/10/71/26/394107126.db2.gz OBFRZEFOGOYUEN-UHFFFAOYSA-N -1 1 294.314 2.738 20 0 CFADMM CC(=O)Nc1cc(NC(=O)c2ccccc2[O-])ccc1C ZINC000131030172 394124374 /nfs/dbraw/zinc/12/43/74/394124374.db2.gz VRSLOTHZPJMDDS-UHFFFAOYSA-N -1 1 284.315 2.911 20 0 CFADMM CC1(NC(=O)c2c([O-])cccc2F)Cc2ccccc2C1 ZINC000131179154 394127105 /nfs/dbraw/zinc/12/71/05/394127105.db2.gz PATLNQWGICDJED-UHFFFAOYSA-N -1 1 285.318 2.819 20 0 CFADMM CC1(C)CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000283255623 394130578 /nfs/dbraw/zinc/13/05/78/394130578.db2.gz MELDEQRZVSOICU-UHFFFAOYSA-N -1 1 269.291 2.933 20 0 CFADMM C[C@@H]1C[C@@H]1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000131781685 394140970 /nfs/dbraw/zinc/14/09/70/394140970.db2.gz AXMQDQOAYOBMFB-ZYHUDNBSSA-N -1 1 255.317 2.931 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC2(CCOCC2)CC1 ZINC000285843724 394155195 /nfs/dbraw/zinc/15/51/95/394155195.db2.gz ZVAJGCVNUBMABO-UHFFFAOYSA-N -1 1 293.338 2.564 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@H](CO)C1 ZINC000367535473 394257672 /nfs/dbraw/zinc/25/76/72/394257672.db2.gz IFMNNADEIXGTRJ-ZDUSSCGKSA-N -1 1 299.370 2.780 20 0 CFADMM O=C(/C=C/[C@H]1CCOC1)Nc1ccc([O-])c(Cl)c1 ZINC000493384006 394227746 /nfs/dbraw/zinc/22/77/46/394227746.db2.gz JWCPLZIGRHHHCF-PWTMJPFMSA-N -1 1 267.712 2.577 20 0 CFADMM O=C(NCc1ccccc1F)c1cc(F)ccc1[O-] ZINC000149008742 394248430 /nfs/dbraw/zinc/24/84/30/394248430.db2.gz SGQGJAISWXUKHH-UHFFFAOYSA-N -1 1 263.243 2.600 20 0 CFADMM COc1cc(C(=O)Nc2c(C)n[nH]c2C)cc(Cl)c1[O-] ZINC000153596517 394286512 /nfs/dbraw/zinc/28/65/12/394286512.db2.gz AONVLCSWHSEFME-UHFFFAOYSA-N -1 1 295.726 2.646 20 0 CFADMM CCCc1cc(=O)[n-]c(SCC2(OC)CCC2)n1 ZINC000450628961 394302972 /nfs/dbraw/zinc/30/29/72/394302972.db2.gz MQBBPHMNQKHLBN-UHFFFAOYSA-N -1 1 268.382 2.796 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@H]2C[C@H](C)CCC2=O)n1 ZINC000450629735 394303496 /nfs/dbraw/zinc/30/34/96/394303496.db2.gz POZPZXSGJHASQR-SKDRFNHKSA-N -1 1 280.393 2.985 20 0 CFADMM CC[C@@H]1CCC[C@@H]1CN=c1nc([C@H](C)OC)[n-]s1 ZINC000450667359 394314302 /nfs/dbraw/zinc/31/43/02/394314302.db2.gz ZZDXDXHVPNPUTG-HBNTYKKESA-N -1 1 269.414 2.906 20 0 CFADMM O=S(=O)([N-]CC1CCCC1)c1sccc1Cl ZINC000451041691 394350009 /nfs/dbraw/zinc/35/00/09/394350009.db2.gz OLWSYKGJNYMJNH-UHFFFAOYSA-N -1 1 279.814 2.870 20 0 CFADMM Cc1ccc(CS(=O)(=O)[N-][C@@H](C)C(C)(F)F)cc1F ZINC000451071086 394354710 /nfs/dbraw/zinc/35/47/10/394354710.db2.gz KOBWMEGKGQOYAI-VIFPVBQESA-N -1 1 295.326 2.597 20 0 CFADMM C[C@@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)C(C)(F)F ZINC000451074187 394355428 /nfs/dbraw/zinc/35/54/28/394355428.db2.gz VHUHNOOPZLTTLS-GHMZBOCLSA-N -1 1 291.363 2.753 20 0 CFADMM CC[C@@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)C(F)F ZINC000451082805 394356248 /nfs/dbraw/zinc/35/62/48/394356248.db2.gz NFDHSYQQDTZEGV-GFCCVEGCSA-N -1 1 291.363 2.767 20 0 CFADMM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1sccc1Cl ZINC000451180464 394365360 /nfs/dbraw/zinc/36/53/60/394365360.db2.gz BSZAKYUGFNNURY-ZETCQYMHSA-N -1 1 279.814 2.868 20 0 CFADMM Cc1nc(-c2ccc(NCC3CC=CC3)nc2)[n-]c(=O)c1C ZINC000528112074 394392826 /nfs/dbraw/zinc/39/28/26/394392826.db2.gz CJXQPGQCEONAIH-UHFFFAOYSA-N -1 1 296.374 2.661 20 0 CFADMM O=C(c1nc[n-]c1-c1nc(C2CCC2)no1)c1ccccc1 ZINC000685241421 542897541 /nfs/dbraw/zinc/89/75/41/542897541.db2.gz IGWFWZGHMHHKLY-UHFFFAOYSA-N -1 1 294.314 2.958 20 0 CFADMM C[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)c1ccncc1 ZINC000685445481 542914917 /nfs/dbraw/zinc/91/49/17/542914917.db2.gz UCBHFPRWNLRWFX-VIFPVBQESA-N -1 1 292.285 2.599 20 0 CFADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)C1CCC1 ZINC000685455199 542916717 /nfs/dbraw/zinc/91/67/17/542916717.db2.gz GXWFPPPUANCDRH-SSDOTTSWSA-N -1 1 255.264 2.589 20 0 CFADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000529982130 394438288 /nfs/dbraw/zinc/43/82/88/394438288.db2.gz GRNBPRIDQZOIHR-LOKDSWTASA-N -1 1 283.755 2.587 20 0 CFADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cccc(F)c1O ZINC000530144740 394460681 /nfs/dbraw/zinc/46/06/81/394460681.db2.gz KCHYAYRQMPGRLN-SECBINFHSA-N -1 1 275.345 2.852 20 0 CFADMM O=C([O-])C[C@H]1CCCN1Cc1cccnc1C(F)(F)F ZINC000530164963 394465307 /nfs/dbraw/zinc/46/53/07/394465307.db2.gz GAUDABPKFPZQSK-SNVBAGLBSA-N -1 1 288.269 2.540 20 0 CFADMM CO[C@H](CC(C)C)C(=O)Nc1cccc(F)c1[O-] ZINC000530003666 394441227 /nfs/dbraw/zinc/44/12/27/394441227.db2.gz CXCMODUOORJGFL-LLVKDONJSA-N -1 1 255.289 2.531 20 0 CFADMM CC(=O)[C@@H]1C[C@H](C(=O)Nc2cccc(F)c2[O-])C1(C)C ZINC000530006349 394441644 /nfs/dbraw/zinc/44/16/44/394441644.db2.gz ROIUQJPGIMDKGC-VHSXEESVSA-N -1 1 279.311 2.721 20 0 CFADMM CCOC1(C(=O)Nc2cccc(F)c2[O-])CCCC1 ZINC000530006804 394441647 /nfs/dbraw/zinc/44/16/47/394441647.db2.gz VFPVREVIQPUYPZ-UHFFFAOYSA-N -1 1 267.300 2.819 20 0 CFADMM Cc1cc(C)n([C@@H](C)C(=O)Nc2cccc(F)c2[O-])n1 ZINC000530005573 394441933 /nfs/dbraw/zinc/44/19/33/394441933.db2.gz JAUJJXRNHNLECE-JTQLQIEISA-N -1 1 277.299 2.544 20 0 CFADMM CCn1nc(C)c(C(=O)Nc2cccc(F)c2[O-])c1C ZINC000530007431 394442131 /nfs/dbraw/zinc/44/21/31/394442131.db2.gz UVSNKAYRFWNMOW-UHFFFAOYSA-N -1 1 277.299 2.617 20 0 CFADMM C[C@@H]1CC(F)(F)CCN1C(=O)c1ccc([O-])cc1F ZINC000530012106 394443273 /nfs/dbraw/zinc/44/32/73/394443273.db2.gz ORJSIPKLIMGAAC-MRVPVSSYSA-N -1 1 273.254 2.791 20 0 CFADMM Cc1ccccc1-c1cnc(CN(C)CCCC(=O)[O-])o1 ZINC000535263492 394533103 /nfs/dbraw/zinc/53/31/03/394533103.db2.gz AMTNSMOOWDJYFI-UHFFFAOYSA-N -1 1 288.347 2.947 20 0 CFADMM Cc1cccc2c1CC[C@@H]2NC(=O)c1ncccc1[O-] ZINC000547651744 394879058 /nfs/dbraw/zinc/87/90/58/394879058.db2.gz DVIRWZGVWLHUDY-ZDUSSCGKSA-N -1 1 268.316 2.513 20 0 CFADMM O=S(=O)(CCC1CC1)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000547272168 394856444 /nfs/dbraw/zinc/85/64/44/394856444.db2.gz VQJSZVUALNUBGL-UHFFFAOYSA-N -1 1 297.424 2.999 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC=CCC1 ZINC000166020069 542943365 /nfs/dbraw/zinc/94/33/65/542943365.db2.gz KKBDHZNIWLAZSV-UHFFFAOYSA-N -1 1 253.301 2.948 20 0 CFADMM Cc1nc(-c2ccc(N3CCC4(CC4)C3)nc2)[n-]c(=O)c1C ZINC000685918388 542957961 /nfs/dbraw/zinc/95/79/61/542957961.db2.gz DDCHAPWFDKKCFQ-UHFFFAOYSA-N -1 1 296.374 2.851 20 0 CFADMM CCc1nnc(C[N-]c2nc(-c3ccccc3)no2)s1 ZINC000685930283 542960089 /nfs/dbraw/zinc/96/00/89/542960089.db2.gz GTHVKHPYVMJGNX-UHFFFAOYSA-N -1 1 287.348 2.763 20 0 CFADMM CC(C)C(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000556503387 395002508 /nfs/dbraw/zinc/00/25/08/395002508.db2.gz VYLYDVCJXNFRNP-UHFFFAOYSA-N -1 1 277.336 2.678 20 0 CFADMM Cc1nc(S[C@H]2C[C@@H](C)O[C@@H](C)C2)[n-]c(=O)c1C ZINC000558847686 395077134 /nfs/dbraw/zinc/07/71/34/395077134.db2.gz XSHHVDZBNIYEBS-VROVMSAKSA-N -1 1 268.382 2.847 20 0 CFADMM CCc1cc(=O)[n-]c(SCCC[C@@H]2CCOC2)n1 ZINC000647120210 395164818 /nfs/dbraw/zinc/16/48/18/395164818.db2.gz TTWACCATZOJGRE-SNVBAGLBSA-N -1 1 268.382 2.653 20 0 CFADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)nn1C(C)C ZINC000648940578 395369876 /nfs/dbraw/zinc/36/98/76/395369876.db2.gz MULWLUHZFPNZCL-UHFFFAOYSA-N -1 1 277.299 2.869 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2cnoc2C)n1 ZINC000181715004 543024497 /nfs/dbraw/zinc/02/44/97/543024497.db2.gz BUHMGZYFEAKASJ-UHFFFAOYSA-N -1 1 265.338 2.723 20 0 CFADMM C[C@@H]1CCN(c2ccnc3cc(F)ccc32)C[C@H]1C(=O)[O-] ZINC000647457217 395340889 /nfs/dbraw/zinc/34/08/89/395340889.db2.gz ZAGSUDVJFBGJSY-ZWNOBZJWSA-N -1 1 288.322 2.921 20 0 CFADMM C[C@H]1CCN(Cc2nc3c(s2)CCCC3)C[C@H]1C(=O)[O-] ZINC000647461352 395342613 /nfs/dbraw/zinc/34/26/13/395342613.db2.gz MVIOHSZXFSVPEU-WDEREUQCSA-N -1 1 294.420 2.565 20 0 CFADMM O=C(c1ncccc1[O-])N1CCCC[C@H]1C1CCC1 ZINC000649195956 395450302 /nfs/dbraw/zinc/45/03/02/395450302.db2.gz AEUIHBHCEFRKDN-LBPRGKRZSA-N -1 1 260.337 2.582 20 0 CFADMM O=C(C(=O)N1CCCC[C@@H]1C1CCC1)c1ccc([O-])cc1 ZINC000649196287 395450460 /nfs/dbraw/zinc/45/04/60/395450460.db2.gz JKSYGDKZPSGKTE-OAHLLOKOSA-N -1 1 287.359 2.756 20 0 CFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)CCC(C)(C)C ZINC000649027130 395405920 /nfs/dbraw/zinc/40/59/20/395405920.db2.gz VBUFBVGLHPJKSQ-UHFFFAOYSA-N -1 1 297.424 2.721 20 0 CFADMM CCc1cccc2c(CC(=O)Nc3c(C)[n-][nH]c3=O)c[nH]c21 ZINC000647815655 395438614 /nfs/dbraw/zinc/43/86/14/395438614.db2.gz GGCPMLVYVIBQHU-UHFFFAOYSA-N -1 1 298.346 2.649 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(OC2CCC2)cc1 ZINC000647815872 395438633 /nfs/dbraw/zinc/43/86/33/395438633.db2.gz OYKOBFBHAYCONQ-UHFFFAOYSA-N -1 1 287.319 2.607 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(F)c(F)cc1Cl ZINC000647815645 395438967 /nfs/dbraw/zinc/43/89/67/395438967.db2.gz FYISTYGXTDDKBZ-UHFFFAOYSA-N -1 1 287.653 2.608 20 0 CFADMM O=C(NC/C=C\c1cccnc1)c1c(F)ccc([O-])c1F ZINC000647813051 395439025 /nfs/dbraw/zinc/43/90/25/395439025.db2.gz RVMAYDRDOKDLFX-RQOWECAXSA-N -1 1 290.269 2.509 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccc(C(F)F)c1 ZINC000647816814 395440115 /nfs/dbraw/zinc/44/01/15/395440115.db2.gz WLYMEGDEFDOCBL-UHFFFAOYSA-N -1 1 267.235 2.614 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CSc1ccc(Cl)cc1 ZINC000647816638 395440173 /nfs/dbraw/zinc/44/01/73/395440173.db2.gz ODWGQSJJWKMABM-UHFFFAOYSA-N -1 1 297.767 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NIWPUBUUNHELJH-GJZGRUSLSA-N -1 1 277.364 2.774 20 0 CFADMM CC[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@H](C)CO1 ZINC000403842567 413181915 /nfs/dbraw/zinc/18/19/15/413181915.db2.gz DFDNNPTXMXIWOM-KOLCDFICSA-N -1 1 283.755 2.685 20 0 CFADMM CC[C@@H](C(=O)[O-])N(C)Cc1cc2cc(F)ccc2o1 ZINC000650807348 413183671 /nfs/dbraw/zinc/18/36/71/413183671.db2.gz WPKCXZPCWCWCDB-LBPRGKRZSA-N -1 1 265.284 2.867 20 0 CFADMM CSc1ccc(Oc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000356493103 155282552 /nfs/dbraw/zinc/28/25/52/155282552.db2.gz XBJOFHBXCCQIOE-UHFFFAOYSA-N -1 1 288.332 2.583 20 0 CFADMM O=C(N[C@H]1CCc2sc(Cl)cc21)c1ncccc1[O-] ZINC000356716710 155337375 /nfs/dbraw/zinc/33/73/75/155337375.db2.gz YOIIRVZZYQCINP-QMMMGPOBSA-N -1 1 294.763 2.919 20 0 CFADMM CC[C@H]([N-]S(=O)(=O)c1cc(C)cc(F)c1)C(F)(F)F ZINC000345639160 154226699 /nfs/dbraw/zinc/22/66/99/154226699.db2.gz MUFUFQCISVEILA-JTQLQIEISA-N -1 1 299.289 2.753 20 0 CFADMM Cc1cnc(C(=O)N(C)[C@@H](C)c2cccc(O)c2)c([O-])c1 ZINC000358549629 155795567 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CFADMM CCN(Cc1occc1C)C(=O)c1ncc(C)cc1[O-] ZINC000413981296 528916247 /nfs/dbraw/zinc/91/62/47/528916247.db2.gz QHNJYKZYDAXIFI-UHFFFAOYSA-N -1 1 274.320 2.659 20 0 CFADMM CCCCc1cc([N-]S(=O)(=O)c2cccc(C)c2)[nH]n1 ZINC000177776705 529017493 /nfs/dbraw/zinc/01/74/93/529017493.db2.gz JTEUZMXAKLSSNU-UHFFFAOYSA-N -1 1 293.392 2.862 20 0 CFADMM CCC1(CC)CCN(C(=O)c2ncc(C)cc2[O-])C1 ZINC000427159808 529057078 /nfs/dbraw/zinc/05/70/78/529057078.db2.gz JSKDXOVLNWFPEI-UHFFFAOYSA-N -1 1 262.353 2.748 20 0 CFADMM CC[C@@H](C)CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000421925881 529326024 /nfs/dbraw/zinc/32/60/24/529326024.db2.gz YFHBALJTDKUHPI-SECBINFHSA-N -1 1 279.384 2.564 20 0 CFADMM COC[C@@H](C)[C@@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456789659 536575995 /nfs/dbraw/zinc/57/59/95/536575995.db2.gz VAVCUPVVQNWPCZ-HTQZYQBOSA-N -1 1 273.279 2.528 20 0 CFADMM COC[C@H](C)[C@@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456789661 536841988 /nfs/dbraw/zinc/84/19/88/536841988.db2.gz VAVCUPVVQNWPCZ-JGVFFNPUSA-N -1 1 273.279 2.528 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1ccnn1C1CCC1 ZINC000935098539 649875177 /nfs/dbraw/zinc/87/51/77/649875177.db2.gz CNPUGBZJFKTLRB-UHFFFAOYSA-N -1 1 275.283 2.705 20 0 CFADMM CCCCCC[C@H](C)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000736445651 574054125 /nfs/dbraw/zinc/05/41/25/574054125.db2.gz LUGMVLMKDQEPJB-LBPRGKRZSA-N -1 1 293.415 2.692 20 0 CFADMM CC(C)n1ccn(CN2CCCC[C@@H]2CC(=O)[O-])c1=S ZINC000736532642 574058782 /nfs/dbraw/zinc/05/87/82/574058782.db2.gz VGOUKSNOAXXXQG-GFCCVEGCSA-N -1 1 297.424 2.887 20 0 CFADMM CCCC[C@@H](COC)NC(=O)c1c([O-])cccc1Cl ZINC000736695195 574067067 /nfs/dbraw/zinc/06/70/67/574067067.db2.gz YLWAZVCRFWXLHR-JTQLQIEISA-N -1 1 285.771 2.981 20 0 CFADMM C[C@H]1CCCCCN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000736785336 574074092 /nfs/dbraw/zinc/07/40/92/574074092.db2.gz RVRWGYDUCYCJIF-LBPRGKRZSA-N -1 1 290.363 2.588 20 0 CFADMM Cc1cccc(COC(=O)c2c([O-])cc(F)cc2F)n1 ZINC000736802214 574076606 /nfs/dbraw/zinc/07/66/06/574076606.db2.gz DZSMNIWLGGXSOQ-UHFFFAOYSA-N -1 1 279.242 2.731 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc(C)n2)c1 ZINC000744550071 574080324 /nfs/dbraw/zinc/08/03/24/574080324.db2.gz XHNVFEGRIMQCHS-UHFFFAOYSA-N -1 1 299.326 2.698 20 0 CFADMM COc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000754501277 574098848 /nfs/dbraw/zinc/09/88/48/574098848.db2.gz ZKAWEFUPZSPQFY-UHFFFAOYSA-N -1 1 278.695 2.702 20 0 CFADMM C[C@H]1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000737196259 574117921 /nfs/dbraw/zinc/11/79/21/574117921.db2.gz BNGHWFGBKYNIFR-KYZUINATSA-N -1 1 292.774 2.906 20 0 CFADMM C[C@H]1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737196259 574117924 /nfs/dbraw/zinc/11/79/24/574117924.db2.gz BNGHWFGBKYNIFR-KYZUINATSA-N -1 1 292.774 2.906 20 0 CFADMM CC1(O)CCC(NC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000754905412 574127636 /nfs/dbraw/zinc/12/76/36/574127636.db2.gz DGEXAIQFCYJPSD-UHFFFAOYSA-N -1 1 299.370 2.969 20 0 CFADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc2ccccc2c1 ZINC000732214233 574146698 /nfs/dbraw/zinc/14/66/98/574146698.db2.gz BWGOZBXNAUUBRX-UHFFFAOYSA-N -1 1 288.328 2.639 20 0 CFADMM O=C([N-]c1cnoc1)c1cnc(Cc2ccccc2)s1 ZINC000755253625 574150228 /nfs/dbraw/zinc/15/02/28/574150228.db2.gz NXOSZOXUADUGIL-UHFFFAOYSA-N -1 1 285.328 2.974 20 0 CFADMM Cc1[nH]c(C(=O)CN2CCCCC[C@@H]2C)c(C)c1C(=O)[O-] ZINC000738153508 574158338 /nfs/dbraw/zinc/15/83/38/574158338.db2.gz MWUDHCJVXKFTQN-JTQLQIEISA-N -1 1 292.379 2.777 20 0 CFADMM O=C([O-])N1CCN(CCCc2ccc(Cl)cc2)CC1 ZINC000738644722 574178241 /nfs/dbraw/zinc/17/82/41/574178241.db2.gz LGCFHGPTLFLTLW-UHFFFAOYSA-N -1 1 282.771 2.568 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCC1CCCC1 ZINC000747355702 574192458 /nfs/dbraw/zinc/19/24/58/574192458.db2.gz WQJROHQKYHIMLH-UHFFFAOYSA-N -1 1 291.395 2.924 20 0 CFADMM C[C@H](NC(=O)[O-])C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000739016897 574193242 /nfs/dbraw/zinc/19/32/42/574193242.db2.gz WRGOMNXQWRTHTD-JTQLQIEISA-N -1 1 298.333 2.833 20 0 CFADMM C[C@H]1CN(Cc2cccc(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000739191516 574200431 /nfs/dbraw/zinc/20/04/31/574200431.db2.gz PKQJWSJBFBKOCO-GXFFZTMASA-N -1 1 282.771 2.818 20 0 CFADMM O=C(Nc1ccncc1[O-])c1ccc2nc(Cl)ccc2c1 ZINC000747975061 574223942 /nfs/dbraw/zinc/22/39/42/574223942.db2.gz RGMBSZCKAKFLFO-UHFFFAOYSA-N -1 1 299.717 2.663 20 0 CFADMM CCc1ccc(CN[C@H](CC(C)(C)C)C(=O)[O-])o1 ZINC000756367630 574229989 /nfs/dbraw/zinc/22/99/89/574229989.db2.gz VEJFXYOQPACPRS-GFCCVEGCSA-N -1 1 253.342 2.821 20 0 CFADMM Cc1[nH]c(S[C@H](C)C(=O)[O-])nc1Cc1ccccc1 ZINC000740028708 574232522 /nfs/dbraw/zinc/23/25/22/574232522.db2.gz VQHHLKDDICGEFW-SNVBAGLBSA-N -1 1 276.361 2.874 20 0 CFADMM Cc1cc([C@@H]2CCCN2C[C@H]2CCCN(C(=O)[O-])C2)no1 ZINC000740079650 574234874 /nfs/dbraw/zinc/23/48/74/574234874.db2.gz ISVHYNRMJCGFDS-OCCSQVGLSA-N -1 1 293.367 2.510 20 0 CFADMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)c1cccnc1 ZINC000733469985 574240918 /nfs/dbraw/zinc/24/09/18/574240918.db2.gz FHDSQKZFNFFUMQ-MRVPVSSYSA-N -1 1 279.242 2.983 20 0 CFADMM CCO[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)C12CCCCC2 ZINC000748338377 574247826 /nfs/dbraw/zinc/24/78/26/574247826.db2.gz HXRFEZSMODESQI-ZJUUUORDSA-N -1 1 279.302 2.793 20 0 CFADMM O=C([O-])N1CC(Sc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000740490215 574251199 /nfs/dbraw/zinc/25/11/99/574251199.db2.gz ULSQLCWAONIXGU-UHFFFAOYSA-N -1 1 283.740 2.671 20 0 CFADMM CCCCO[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)C1(C)C ZINC000748744463 574264463 /nfs/dbraw/zinc/26/44/63/574264463.db2.gz OJSCWDOFUJBWAH-IUCAKERBSA-N -1 1 267.291 2.649 20 0 CFADMM COCCO[N-]C(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000748766555 574265254 /nfs/dbraw/zinc/26/52/54/574265254.db2.gz GBDMJMMHYQGUTL-VIFPVBQESA-N -1 1 291.269 2.503 20 0 CFADMM O=C([O-])CCN(C/C=C\Cl)Cc1ccc(F)c(F)c1 ZINC000739724031 574276694 /nfs/dbraw/zinc/27/66/94/574276694.db2.gz DBWMHVYCFXAWHM-KTAJNNJTSA-N -1 1 289.709 2.994 20 0 CFADMM CC1(O)CCC(NC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000749592356 574301007 /nfs/dbraw/zinc/30/10/07/574301007.db2.gz VDOJLMQZDDRZOE-UHFFFAOYSA-N -1 1 299.370 2.969 20 0 CFADMM O=C([N-]c1nc(C2CC2)no1)c1csc(C2CC2)n1 ZINC000734878597 574306026 /nfs/dbraw/zinc/30/60/26/574306026.db2.gz LYLCLRSOORHKAX-UHFFFAOYSA-N -1 1 276.321 2.533 20 0 CFADMM CCN(Cc1c(F)cccc1F)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739440072 574314322 /nfs/dbraw/zinc/31/43/22/574314322.db2.gz UJBUPTRPOWTMDX-NSHDSACASA-N -1 1 298.333 2.787 20 0 CFADMM CC(C)[C@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000735752293 574334749 /nfs/dbraw/zinc/33/47/49/574334749.db2.gz ZPLWFXFLUOAAGD-SNVBAGLBSA-N -1 1 292.774 2.540 20 0 CFADMM CC(C)[C@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000735752293 574334750 /nfs/dbraw/zinc/33/47/50/574334750.db2.gz ZPLWFXFLUOAAGD-SNVBAGLBSA-N -1 1 292.774 2.540 20 0 CFADMM Cc1[nH]c2ccc(C[N-]C(=O)C(F)(F)F)cc2c1C ZINC000725891779 574353646 /nfs/dbraw/zinc/35/36/46/574353646.db2.gz SPXJKNQJHCFTER-UHFFFAOYSA-N -1 1 270.254 2.963 20 0 CFADMM CC[C@@H](C)[C@H](C)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736329642 574363009 /nfs/dbraw/zinc/36/30/09/574363009.db2.gz KALVWUXCDVKBKD-ZJUUUORDSA-N -1 1 297.366 2.656 20 0 CFADMM CC[C@@H](C)[C@H](C)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736329642 574363011 /nfs/dbraw/zinc/36/30/11/574363011.db2.gz KALVWUXCDVKBKD-ZJUUUORDSA-N -1 1 297.366 2.656 20 0 CFADMM CCC(CC)CNc1[nH+]c(C)cc(C)c1-c1nn[nH]n1 ZINC000736345276 574364248 /nfs/dbraw/zinc/36/42/48/574364248.db2.gz HCAQGWGVXAFWDF-UHFFFAOYSA-N -1 1 274.372 2.727 20 0 CFADMM O=C(N[C@H]1CCCC1(F)F)c1cc(Cl)ccc1[O-] ZINC000398355914 574364915 /nfs/dbraw/zinc/36/49/15/574364915.db2.gz ZONCLHBLBOORAS-JTQLQIEISA-N -1 1 275.682 2.963 20 0 CFADMM Cc1ccc(OCc2ccccc2)c([N-]S(C)(=O)=O)c1 ZINC000197108926 574366853 /nfs/dbraw/zinc/36/68/53/574366853.db2.gz NEJNMDJKRFDGLL-UHFFFAOYSA-N -1 1 291.372 2.946 20 0 CFADMM CC[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736400808 574367547 /nfs/dbraw/zinc/36/75/47/574367547.db2.gz CQEOEHQXBBZPTO-SECBINFHSA-N -1 1 292.774 2.542 20 0 CFADMM CC[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736400808 574367548 /nfs/dbraw/zinc/36/75/48/574367548.db2.gz CQEOEHQXBBZPTO-SECBINFHSA-N -1 1 292.774 2.542 20 0 CFADMM CCOc1cccc(COC(=O)c2ccc([O-])cc2F)n1 ZINC000751566623 574379210 /nfs/dbraw/zinc/37/92/10/574379210.db2.gz FTPRKSJECAVOIO-UHFFFAOYSA-N -1 1 291.278 2.682 20 0 CFADMM Cc1ccncc1/C=C\C(=O)Nc1c([O-])cccc1F ZINC000752681419 574393616 /nfs/dbraw/zinc/39/36/16/574393616.db2.gz WSRIOGSCQROYAL-WAYWQWQTSA-N -1 1 272.279 2.887 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1(C)CCC1 ZINC000752751569 574394611 /nfs/dbraw/zinc/39/46/11/574394611.db2.gz DEWCSGJCIALNNS-UHFFFAOYSA-N -1 1 277.368 2.534 20 0 CFADMM Cc1ccc(CC[C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)o1 ZINC000822236142 599065380 /nfs/dbraw/zinc/06/53/80/599065380.db2.gz LLNXZIHPGRAVOX-SNVBAGLBSA-N -1 1 298.350 2.596 20 0 CFADMM Cc1ccc(CC[C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC000822236142 599065383 /nfs/dbraw/zinc/06/53/83/599065383.db2.gz LLNXZIHPGRAVOX-SNVBAGLBSA-N -1 1 298.350 2.596 20 0 CFADMM O=C([O-])c1ccc(CNCc2ccc(Cl)o2)cc1 ZINC000698129328 597135919 /nfs/dbraw/zinc/13/59/19/597135919.db2.gz PHBRFECKEPFWBV-UHFFFAOYSA-N -1 1 265.696 2.921 20 0 CFADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900118394 620638553 /nfs/dbraw/zinc/63/85/53/620638553.db2.gz GFWYPABHHOISMV-MFKMUULPSA-N -1 1 289.379 2.710 20 0 CFADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900118393 620638619 /nfs/dbraw/zinc/63/86/19/620638619.db2.gz GFWYPABHHOISMV-GXFFZTMASA-N -1 1 289.379 2.710 20 0 CFADMM C[C@@H](N(C)C(=O)c1cnc(C2CC2)[n-]c1=O)C(C)(C)C ZINC000900120332 620638889 /nfs/dbraw/zinc/63/88/89/620638889.db2.gz XYAIRQQREOZREE-SECBINFHSA-N -1 1 277.368 2.566 20 0 CFADMM CCOCc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821384143 607315907 /nfs/dbraw/zinc/31/59/07/607315907.db2.gz QYMADMFGHQEVNN-UHFFFAOYSA-N -1 1 299.334 2.608 20 0 CFADMM CCOCc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821384143 607315908 /nfs/dbraw/zinc/31/59/08/607315908.db2.gz QYMADMFGHQEVNN-UHFFFAOYSA-N -1 1 299.334 2.608 20 0 CFADMM Cc1[nH]nc2cc(NC(=O)c3cccc(C(=O)[O-])c3)ccc12 ZINC000821153326 598149904 /nfs/dbraw/zinc/14/99/04/598149904.db2.gz RPAKRKMSPAFTCC-UHFFFAOYSA-N -1 1 295.298 2.822 20 0 CFADMM C[C@H](NCc1cccc(C(=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000820148258 598192762 /nfs/dbraw/zinc/19/27/62/598192762.db2.gz MOVQYMWCPDZZSN-LBPRGKRZSA-N -1 1 298.342 2.502 20 0 CFADMM COc1ccc(CNCc2cccc(C(=O)[O-])c2)c(F)c1 ZINC000820836662 598204600 /nfs/dbraw/zinc/20/46/00/598204600.db2.gz BRUKTVGJFAWKHD-UHFFFAOYSA-N -1 1 289.306 2.822 20 0 CFADMM O=C([O-])CCN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000821524481 598216196 /nfs/dbraw/zinc/21/61/96/598216196.db2.gz CNCLYNPALCTPRZ-QGZVFWFLSA-N -1 1 296.326 2.982 20 0 CFADMM Fc1ccc2c(c1)[C@H](Nc1cccc(-c3nnn[n-]3)n1)CC2 ZINC000737664149 599432534 /nfs/dbraw/zinc/43/25/34/599432534.db2.gz CCSHXIRNGLMUSG-GFCCVEGCSA-N -1 1 296.309 2.500 20 0 CFADMM Fc1ccc2c(c1)[C@H](Nc1cccc(-c3nn[n-]n3)n1)CC2 ZINC000737664149 599432536 /nfs/dbraw/zinc/43/25/36/599432536.db2.gz CCSHXIRNGLMUSG-GFCCVEGCSA-N -1 1 296.309 2.500 20 0 CFADMM O=C([O-])c1ccc(CNC2(c3ccccc3)CC2)o1 ZINC000740130861 599875881 /nfs/dbraw/zinc/87/58/81/599875881.db2.gz VWXGBXMEJKWPQS-UHFFFAOYSA-N -1 1 257.289 2.757 20 0 CFADMM CN(CCOC(C)(C)C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000689999387 600215629 /nfs/dbraw/zinc/21/56/29/600215629.db2.gz PBYKXGNIIXAGKE-CYBMUJFWSA-N -1 1 265.353 2.559 20 0 CFADMM CC[C@H](C(=O)[O-])N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000828604076 600998598 /nfs/dbraw/zinc/99/85/98/600998598.db2.gz UKCIVONNEXCDIP-CQSZACIVSA-N -1 1 276.311 2.528 20 0 CFADMM O=C([O-])c1ccc(CNCc2ccncc2Cl)cc1 ZINC000704332916 601112426 /nfs/dbraw/zinc/11/24/26/601112426.db2.gz GBHJVFMEOKXJGI-UHFFFAOYSA-N -1 1 276.723 2.723 20 0 CFADMM O=C([O-])c1ccc(CNCc2cnc(Cl)s2)cc1 ZINC000718185758 601144374 /nfs/dbraw/zinc/14/43/74/601144374.db2.gz HCZLWCUZNKLPBG-UHFFFAOYSA-N -1 1 282.752 2.785 20 0 CFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H]1C ZINC000832916641 601429367 /nfs/dbraw/zinc/42/93/67/601429367.db2.gz MOENYALOPKJRHP-RYUDHWBXSA-N -1 1 290.363 2.505 20 0 CFADMM C[C@H]1CN(Cc2c(F)cccc2Cl)C[C@@H]1C(=O)[O-] ZINC000104220395 601520929 /nfs/dbraw/zinc/52/09/29/601520929.db2.gz KGDDHFBNMFWIEO-IUCAKERBSA-N -1 1 271.719 2.632 20 0 CFADMM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@@H](C)[C@@H]2C)c(C)c1C(=O)[O-] ZINC000832843684 601567159 /nfs/dbraw/zinc/56/71/59/601567159.db2.gz ZJKHWDWSGMHVFI-ZHAHWJHGSA-N -1 1 292.379 2.631 20 0 CFADMM C[C@@H](N(C)CC(=O)Nc1ccsc1C(=O)[O-])C1(C)CC1 ZINC000827603282 601612456 /nfs/dbraw/zinc/61/24/56/601612456.db2.gz LLJISBWCJSILCQ-SECBINFHSA-N -1 1 296.392 2.505 20 0 CFADMM Cc1cc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])on1 ZINC000832883564 601655028 /nfs/dbraw/zinc/65/50/28/601655028.db2.gz XSKJNCSNYFHVRG-SMDDNHRTSA-N -1 1 274.320 2.535 20 0 CFADMM Fc1ccccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000826378496 607523343 /nfs/dbraw/zinc/52/33/43/607523343.db2.gz NCBMAEJXMLIURL-UHFFFAOYSA-N -1 1 275.312 2.679 20 0 CFADMM O=C([O-])c1cc(CN[C@@H]2COc3c2cccc3Cl)c[nH]1 ZINC000833296590 601880603 /nfs/dbraw/zinc/88/06/03/601880603.db2.gz KCISFXKHXUPXGS-GFCCVEGCSA-N -1 1 292.722 2.590 20 0 CFADMM CC1(C)CN(Cc2ccc(C(=O)[O-])s2)C(C)(C)CO1 ZINC000828074292 601957146 /nfs/dbraw/zinc/95/71/46/601957146.db2.gz FCFUUPROSABONH-UHFFFAOYSA-N -1 1 283.393 2.836 20 0 CFADMM O=C([O-])CN(C/C(Cl)=C\Cl)C1CCCC1 ZINC000211365420 602050172 /nfs/dbraw/zinc/05/01/72/602050172.db2.gz IFAOWQSAPHSIFZ-VMPITWQZSA-N -1 1 252.141 2.635 20 0 CFADMM CC(C)[C@H](C)SCc1ccnc(-c2nnn[n-]2)c1 ZINC000824192837 607550118 /nfs/dbraw/zinc/55/01/18/607550118.db2.gz MSLPVAPQPBAPMV-VIFPVBQESA-N -1 1 263.370 2.539 20 0 CFADMM CC(C)[C@H](C)SCc1ccnc(-c2nn[n-]n2)c1 ZINC000824192837 607550120 /nfs/dbraw/zinc/55/01/20/607550120.db2.gz MSLPVAPQPBAPMV-VIFPVBQESA-N -1 1 263.370 2.539 20 0 CFADMM CC(C)c1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000824352986 607546697 /nfs/dbraw/zinc/54/66/97/607546697.db2.gz SJYBSEVNVRAQGJ-UHFFFAOYSA-N -1 1 294.362 2.997 20 0 CFADMM CC(C)c1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000824352986 607546699 /nfs/dbraw/zinc/54/66/99/607546699.db2.gz SJYBSEVNVRAQGJ-UHFFFAOYSA-N -1 1 294.362 2.997 20 0 CFADMM CC[C@@]1(C)CCN(CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000829049932 602240983 /nfs/dbraw/zinc/24/09/83/602240983.db2.gz ICPZSBYECYKOOV-INIZCTEOSA-N -1 1 292.379 2.634 20 0 CFADMM O=C([O-])N1CC[C@H](NCc2ccc(Cl)cc2Cl)C1 ZINC000142955449 602879400 /nfs/dbraw/zinc/87/94/00/602879400.db2.gz PCYMIFNNYWOFTC-JTQLQIEISA-N -1 1 289.162 2.835 20 0 CFADMM O=C([O-])Nc1ccc(CNCc2ccc(Cl)nc2)cn1 ZINC000832842178 603540468 /nfs/dbraw/zinc/54/04/68/603540468.db2.gz PPOZZXYBDXBHHR-UHFFFAOYSA-N -1 1 292.726 2.510 20 0 CFADMM O=C([O-])N[C@@H]1CCCN([C@H]2CCc3ccc(F)cc32)C1 ZINC000832366867 604093257 /nfs/dbraw/zinc/09/32/57/604093257.db2.gz ZGAIEAYAEOPTQW-OCCSQVGLSA-N -1 1 278.327 2.545 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000825262683 604182086 /nfs/dbraw/zinc/18/20/86/604182086.db2.gz CDVXOFDSKUDLBE-GHMZBOCLSA-N -1 1 298.333 2.833 20 0 CFADMM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cccnc1Cl ZINC000825478179 604327401 /nfs/dbraw/zinc/32/74/01/604327401.db2.gz FLDLRCOCKPELPC-VHSXEESVSA-N -1 1 283.759 2.528 20 0 CFADMM C[C@@H](N[C@@H](CNC(=O)[O-])C1CC1)c1c(F)cccc1F ZINC000825473358 604361287 /nfs/dbraw/zinc/36/12/87/604361287.db2.gz PVUDQRYNDNRTNA-PELKAZGASA-N -1 1 284.306 2.662 20 0 CFADMM Cc1cc(C)c(CN(C)[C@H](COC(C)C)C(=O)[O-])c(C)c1 ZINC000832876466 604401013 /nfs/dbraw/zinc/40/10/13/604401013.db2.gz DKFMBMHYXUZBCZ-MRXNPFEDSA-N -1 1 293.407 2.922 20 0 CFADMM CC(C)(CC(=O)[O-])NCc1ncc(-c2cccs2)o1 ZINC000826542169 604442420 /nfs/dbraw/zinc/44/24/20/604442420.db2.gz KZQXJFGVUWXEIP-UHFFFAOYSA-N -1 1 280.349 2.746 20 0 CFADMM CC1=C(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)CCC1 ZINC000833575647 604503272 /nfs/dbraw/zinc/50/32/72/604503272.db2.gz IOMHFBPFLKKGFW-UHFFFAOYSA-N -1 1 285.303 2.700 20 0 CFADMM CCc1ccc(CN(CC(=O)[O-])C2CCCC2)o1 ZINC000086749106 604662823 /nfs/dbraw/zinc/66/28/23/604662823.db2.gz FZBBQORKUFEJQE-UHFFFAOYSA-N -1 1 251.326 2.671 20 0 CFADMM C[C@@H]1CN(Cc2cc(Cl)ccc2F)C[C@@H]1C(=O)[O-] ZINC000165670799 604666771 /nfs/dbraw/zinc/66/67/71/604666771.db2.gz QFQNRIQSVFZFPE-KCJUWKMLSA-N -1 1 271.719 2.632 20 0 CFADMM Cc1cnc(CN(CCCC(=O)[O-])Cc2ccccc2)cn1 ZINC000832985988 604785745 /nfs/dbraw/zinc/78/57/45/604785745.db2.gz SQBNNNUSVSKYCM-UHFFFAOYSA-N -1 1 299.374 2.652 20 0 CFADMM Cc1nc([C@@H](C)N[C@H]2CCCN(C(=O)[O-])C2)c(C)s1 ZINC000832994277 604793067 /nfs/dbraw/zinc/79/30/67/604793067.db2.gz OZOJWIHSPCZSJY-KCJUWKMLSA-N -1 1 283.397 2.553 20 0 CFADMM C[C@H](NC[C@@H]1CCCCN1C(=O)[O-])c1cccnc1Cl ZINC000825486131 604797083 /nfs/dbraw/zinc/79/70/83/604797083.db2.gz VEWZOONSKAHGQF-QWRGUYRKSA-N -1 1 297.786 2.918 20 0 CFADMM CC(C)C[C@@H]1CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900460849 620679040 /nfs/dbraw/zinc/67/90/40/620679040.db2.gz WAAWTORRIOKILC-LBPRGKRZSA-N -1 1 289.379 2.710 20 0 CFADMM O=C([O-])[C@H](NCc1ccccc1Cl)c1cccnc1 ZINC000833168895 604986826 /nfs/dbraw/zinc/98/68/26/604986826.db2.gz AMIWHBDJBUQMKP-CYBMUJFWSA-N -1 1 276.723 2.651 20 0 CFADMM O=C([O-])[C@@H](NCc1ccc(F)c(Cl)c1)c1cccnc1 ZINC000833165891 604999886 /nfs/dbraw/zinc/99/98/86/604999886.db2.gz MJEDWYJDZMZFLB-ZDUSSCGKSA-N -1 1 294.713 2.790 20 0 CFADMM C[C@@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)C(C)(C)C ZINC000833410563 605057492 /nfs/dbraw/zinc/05/74/92/605057492.db2.gz CXHJYQKDVBGKHG-QMMMGPOBSA-N -1 1 289.335 2.882 20 0 CFADMM C[C@@H]1CC/C(=C\C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)C1 ZINC000833601847 605058898 /nfs/dbraw/zinc/05/88/98/605058898.db2.gz NQFNMXZYIAOIRF-NCXKZPMSSA-N -1 1 299.330 2.946 20 0 CFADMM CCC1(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)CCC1 ZINC000833646253 605059081 /nfs/dbraw/zinc/05/90/81/605059081.db2.gz MHCPUNCRGUKXRP-UHFFFAOYSA-N -1 1 287.319 2.780 20 0 CFADMM COc1ccc2nc(S[C@@H](C(=O)[O-])C3CC3)[nH]c2c1 ZINC000088794201 605069765 /nfs/dbraw/zinc/06/97/65/605069765.db2.gz USWPNGYLVHUMHG-LLVKDONJSA-N -1 1 278.333 2.527 20 0 CFADMM C[C@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833632042 605110865 /nfs/dbraw/zinc/11/08/65/605110865.db2.gz IUBHZIWXRXRIDE-NSHDSACASA-N -1 1 270.332 2.660 20 0 CFADMM C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(C(=O)[O-])[nH]2)o1 ZINC000833602787 605115143 /nfs/dbraw/zinc/11/51/43/605115143.db2.gz BPFWJSITYMBASX-SKDRFNHKSA-N -1 1 274.320 2.719 20 0 CFADMM CCc1ccc(CN(CCc2ccccc2)CC(=O)[O-])o1 ZINC000833669351 605236539 /nfs/dbraw/zinc/23/65/39/605236539.db2.gz FNEYFEBRLKFTBN-UHFFFAOYSA-N -1 1 287.359 2.971 20 0 CFADMM O=C([O-])NCc1cccc(NCc2ccc3nc[nH]c3c2)c1 ZINC000832729292 605249222 /nfs/dbraw/zinc/24/92/22/605249222.db2.gz FCBUNMMKHNHXIT-UHFFFAOYSA-N -1 1 296.330 2.943 20 0 CFADMM O=C([O-])NC[C@@H]1CCCN1c1ccnc2cc(F)ccc21 ZINC000832577447 605342495 /nfs/dbraw/zinc/34/24/95/605342495.db2.gz IALPYXFKXADLOD-NSHDSACASA-N -1 1 289.310 2.610 20 0 CFADMM CC(C)CCn1cccc1CN1CCC(NC(=O)[O-])CC1 ZINC000833795629 605485859 /nfs/dbraw/zinc/48/58/59/605485859.db2.gz YRLCSCXIWDRWGY-UHFFFAOYSA-N -1 1 293.411 2.766 20 0 CFADMM Cc1nc([C@@H](C)NC[C@@H](NC(=O)[O-])C(C)C)c(C)s1 ZINC000830709491 605505013 /nfs/dbraw/zinc/50/50/13/605505013.db2.gz JZZGEHPLGPQLDO-LDYMZIIASA-N -1 1 285.413 2.703 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000833816561 605598266 /nfs/dbraw/zinc/59/82/66/605598266.db2.gz ZTUUVAZETCWSJO-PWSUYJOCSA-N -1 1 298.333 2.833 20 0 CFADMM O=C([O-])N[C@H]1C[C@@H](NCc2ccco2)c2ccccc21 ZINC000834158374 605787365 /nfs/dbraw/zinc/78/73/65/605787365.db2.gz NHSXUSOKMFKUOP-KGLIPLIRSA-N -1 1 272.304 2.823 20 0 CFADMM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2F)C[C@H](C)S1 ZINC000231028279 605834024 /nfs/dbraw/zinc/83/40/24/605834024.db2.gz MLQUGBYFPYTNGS-AOOOYVTPSA-N -1 1 283.368 2.850 20 0 CFADMM O=C([O-])N1CC[C@H](N[C@H](c2ccccc2)c2cccnc2)C1 ZINC000834085509 605981748 /nfs/dbraw/zinc/98/17/48/605981748.db2.gz SMXOJALWEWBAKB-JKSUJKDBSA-N -1 1 297.358 2.513 20 0 CFADMM Clc1ccc(SCc2ccco2)nc1-c1nnn[n-]1 ZINC000822578649 606438815 /nfs/dbraw/zinc/43/88/15/606438815.db2.gz MXBUVKFUSADOCZ-UHFFFAOYSA-N -1 1 293.739 2.800 20 0 CFADMM Clc1ccc(SCc2ccco2)nc1-c1nn[n-]n1 ZINC000822578649 606438816 /nfs/dbraw/zinc/43/88/16/606438816.db2.gz MXBUVKFUSADOCZ-UHFFFAOYSA-N -1 1 293.739 2.800 20 0 CFADMM CC(C)CC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000820067561 606724093 /nfs/dbraw/zinc/72/40/93/606724093.db2.gz KCLJSEHVQAWEST-UHFFFAOYSA-N -1 1 286.383 2.524 20 0 CFADMM CC(C)CC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000820067561 606724095 /nfs/dbraw/zinc/72/40/95/606724095.db2.gz KCLJSEHVQAWEST-UHFFFAOYSA-N -1 1 286.383 2.524 20 0 CFADMM CCCC[C@@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000821039836 606924847 /nfs/dbraw/zinc/92/48/47/606924847.db2.gz HNFBJESOZNPLNS-MRVPVSSYSA-N -1 1 280.353 2.664 20 0 CFADMM Cc1cccc(COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826298161 607864383 /nfs/dbraw/zinc/86/43/83/607864383.db2.gz GQOUNCSAXNHJLW-UHFFFAOYSA-N -1 1 284.294 2.893 20 0 CFADMM Cc1cccc(COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826298161 607864384 /nfs/dbraw/zinc/86/43/84/607864384.db2.gz GQOUNCSAXNHJLW-UHFFFAOYSA-N -1 1 284.294 2.893 20 0 CFADMM CCCCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000825276423 607864951 /nfs/dbraw/zinc/86/49/51/607864951.db2.gz XJEDNZSPMPKUJV-UHFFFAOYSA-N -1 1 250.277 2.575 20 0 CFADMM CCCCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000825276423 607864952 /nfs/dbraw/zinc/86/49/52/607864952.db2.gz XJEDNZSPMPKUJV-UHFFFAOYSA-N -1 1 250.277 2.575 20 0 CFADMM Clc1cccc(Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826353196 607895219 /nfs/dbraw/zinc/89/52/19/607895219.db2.gz FSZWPGRZKKVFOK-UHFFFAOYSA-N -1 1 272.699 2.659 20 0 CFADMM Clc1cccc(Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826353196 607895220 /nfs/dbraw/zinc/89/52/20/607895220.db2.gz FSZWPGRZKKVFOK-UHFFFAOYSA-N -1 1 272.699 2.659 20 0 CFADMM CC(C)(C)c1cccc(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000824136282 608387928 /nfs/dbraw/zinc/38/79/28/608387928.db2.gz OODZOKHZBGMPNS-UHFFFAOYSA-N -1 1 296.334 2.747 20 0 CFADMM CC(C)(C)c1cccc(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000824136282 608387930 /nfs/dbraw/zinc/38/79/30/608387930.db2.gz OODZOKHZBGMPNS-UHFFFAOYSA-N -1 1 296.334 2.747 20 0 CFADMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(C)cc1 ZINC000825149304 608389465 /nfs/dbraw/zinc/38/94/65/608389465.db2.gz XEGBBLKDEHXJOK-GFCCVEGCSA-N -1 1 295.350 2.528 20 0 CFADMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(C)cc1 ZINC000825149304 608389467 /nfs/dbraw/zinc/38/94/67/608389467.db2.gz XEGBBLKDEHXJOK-GFCCVEGCSA-N -1 1 295.350 2.528 20 0 CFADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@H]1CCCC[C@@H]1C ZINC000826280701 608541326 /nfs/dbraw/zinc/54/13/26/608541326.db2.gz MLWLOENHARPSOV-ONGXEEELSA-N -1 1 272.356 2.561 20 0 CFADMM CC1(C)CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000824803080 608555974 /nfs/dbraw/zinc/55/59/74/608555974.db2.gz SITDQSRXADZFCX-MRVPVSSYSA-N -1 1 292.774 2.906 20 0 CFADMM CC1(C)CC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000824803080 608555976 /nfs/dbraw/zinc/55/59/76/608555976.db2.gz SITDQSRXADZFCX-MRVPVSSYSA-N -1 1 292.774 2.906 20 0 CFADMM O=C(CCC(F)F)Nc1cc(F)cc(F)c1[O-] ZINC000910993013 622496490 /nfs/dbraw/zinc/49/64/90/622496490.db2.gz PXECAJZXWJUYCQ-UHFFFAOYSA-N -1 1 251.179 2.654 20 0 CFADMM C[C@@H]1Cc2ccccc2N(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000825012427 609173143 /nfs/dbraw/zinc/17/31/43/609173143.db2.gz ISFGWBPTBSRXSF-LLVKDONJSA-N -1 1 295.346 2.659 20 0 CFADMM C[C@@H]1Cc2ccccc2N(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000825012427 609173145 /nfs/dbraw/zinc/17/31/45/609173145.db2.gz ISFGWBPTBSRXSF-LLVKDONJSA-N -1 1 295.346 2.659 20 0 CFADMM CC(C)c1cc(NCc2ccc(-c3nn[n-]n3)s2)no1 ZINC000824347856 609265949 /nfs/dbraw/zinc/26/59/49/609265949.db2.gz PRPYTJWOWRDSSW-UHFFFAOYSA-N -1 1 290.352 2.652 20 0 CFADMM CCc1cc(NCc2ccnc(-c3nnn[n-]3)c2)ccc1C ZINC000825700852 609313243 /nfs/dbraw/zinc/31/32/43/609313243.db2.gz WHNQRDYFZSYXLF-UHFFFAOYSA-N -1 1 294.362 2.745 20 0 CFADMM CCc1cc(NCc2ccnc(-c3nn[n-]n3)c2)ccc1C ZINC000825700852 609313245 /nfs/dbraw/zinc/31/32/45/609313245.db2.gz WHNQRDYFZSYXLF-UHFFFAOYSA-N -1 1 294.362 2.745 20 0 CFADMM Cc1ccccc1[C@@H](C)C(=O)[N-]OC/C=C/Cl ZINC000936058541 649981343 /nfs/dbraw/zinc/98/13/43/649981343.db2.gz IZPKBJNVVBSFDN-AYLMVEPYSA-N -1 1 253.729 2.899 20 0 CFADMM c1sc2ccccc2c1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826523084 609437002 /nfs/dbraw/zinc/43/70/02/609437002.db2.gz ABEDSQPHHMYRNQ-UHFFFAOYSA-N -1 1 295.331 2.615 20 0 CFADMM c1sc2ccccc2c1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826523084 609437003 /nfs/dbraw/zinc/43/70/03/609437003.db2.gz ABEDSQPHHMYRNQ-UHFFFAOYSA-N -1 1 295.331 2.615 20 0 CFADMM CC(C)CN(CC(C)C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900684139 620702277 /nfs/dbraw/zinc/70/22/77/620702277.db2.gz YHRLORSTDCEWAR-UHFFFAOYSA-N -1 1 291.395 2.814 20 0 CFADMM CC[C@@H]1CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC000900743338 620709606 /nfs/dbraw/zinc/70/96/06/620709606.db2.gz RAGHHKNGCNYYKY-LLVKDONJSA-N -1 1 289.379 2.712 20 0 CFADMM C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)C1CCCCC1 ZINC000900820929 620717446 /nfs/dbraw/zinc/71/74/46/620717446.db2.gz BFBPMWSYTIXCST-SNVBAGLBSA-N -1 1 289.379 2.758 20 0 CFADMM C[C@@H]1c2ccccc2CN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900923041 620727674 /nfs/dbraw/zinc/72/76/74/620727674.db2.gz RJKLMIYXGQKJIP-SNVBAGLBSA-N -1 1 295.342 2.777 20 0 CFADMM CC(C)C[C@@H]1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900907035 620728792 /nfs/dbraw/zinc/72/87/92/620728792.db2.gz CZHLKICZXBJUFV-NSHDSACASA-N -1 1 289.379 2.568 20 0 CFADMM CN(CCc1cccs1)c1cc(Cl)[n-]c(=O)n1 ZINC000858428492 617617080 /nfs/dbraw/zinc/61/70/80/617617080.db2.gz VHLXTQQNNBBLSL-UHFFFAOYSA-N -1 1 269.757 2.576 20 0 CFADMM O=C(NC[C@H](O)c1ccco1)c1ccc2ccccc2c1[O-] ZINC000121463087 617646883 /nfs/dbraw/zinc/64/68/83/617646883.db2.gz ZJGACTCHAWRSAQ-AWEZNQCLSA-N -1 1 297.310 2.602 20 0 CFADMM C[C@]1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CC=CCC1 ZINC000891613064 617686498 /nfs/dbraw/zinc/68/64/98/617686498.db2.gz DTAGGZCIZMXRLI-INIZCTEOSA-N -1 1 287.363 2.746 20 0 CFADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccoc1Cl ZINC000891618208 617688998 /nfs/dbraw/zinc/68/89/98/617688998.db2.gz NDXPVBLNBJUHNK-UHFFFAOYSA-N -1 1 293.710 2.560 20 0 CFADMM CC1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CCCC1 ZINC000891625044 617690218 /nfs/dbraw/zinc/69/02/18/617690218.db2.gz DSCSKQOKVIANKA-UHFFFAOYSA-N -1 1 275.352 2.580 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(=O)C[C@@H]1C1CC1 ZINC000891772952 617744932 /nfs/dbraw/zinc/74/49/32/617744932.db2.gz QYWWHBWPQSYVRA-CYBMUJFWSA-N -1 1 293.750 2.629 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(=O)CC12CCC2 ZINC000891844861 617782284 /nfs/dbraw/zinc/78/22/84/617782284.db2.gz QBAWXCPCUQOCKB-UHFFFAOYSA-N -1 1 293.750 2.773 20 0 CFADMM CCCCC1(NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000889528192 618057203 /nfs/dbraw/zinc/05/72/03/618057203.db2.gz ARRCCWUACXQBMB-UHFFFAOYSA-N -1 1 251.301 2.984 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@]12C[C@H]1COC21CCC1 ZINC000935021262 618170288 /nfs/dbraw/zinc/17/02/88/618170288.db2.gz UOXVMVBSVSAONV-VFZGTOFNSA-N -1 1 293.750 2.943 20 0 CFADMM COc1ccc2c(c1)CCC[C@@H]2C[N-]C(=O)C(F)(F)F ZINC000136985357 618213264 /nfs/dbraw/zinc/21/32/64/618213264.db2.gz NLDFXHHUPIWAID-SNVBAGLBSA-N -1 1 287.281 2.794 20 0 CFADMM CC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1c(C)nn(C)c1C ZINC000749406714 618301809 /nfs/dbraw/zinc/30/18/09/618301809.db2.gz ROVWNCHRSYZQEK-QMMMGPOBSA-N -1 1 295.280 2.505 20 0 CFADMM CCC[C@H](C)C(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067119410 618333508 /nfs/dbraw/zinc/33/35/08/618333508.db2.gz WCTVXMBQKMGGQN-JTQLQIEISA-N -1 1 284.429 2.616 20 0 CFADMM CC[C@H](C)CC(=O)Nc1nc(Br)ccc1[O-] ZINC000190846207 618385600 /nfs/dbraw/zinc/38/56/00/618385600.db2.gz VROBNZUNEMIKPS-ZETCQYMHSA-N -1 1 287.157 2.924 20 0 CFADMM CO[C@H](COC(=O)c1ccc([O-])cc1F)CC(C)C ZINC000842088420 618455005 /nfs/dbraw/zinc/45/50/05/618455005.db2.gz NYVARFIZQSRDAR-NSHDSACASA-N -1 1 270.300 2.749 20 0 CFADMM CCc1[nH]ncc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000909514343 618527874 /nfs/dbraw/zinc/52/78/74/618527874.db2.gz ZGWGPQQIKLYSEY-UHFFFAOYSA-N -1 1 287.319 2.539 20 0 CFADMM CC(C)CCC(=O)Nc1nc(Br)ccc1[O-] ZINC000156390307 618606209 /nfs/dbraw/zinc/60/62/09/618606209.db2.gz ZMRVQUNVTLZXDW-UHFFFAOYSA-N -1 1 287.157 2.924 20 0 CFADMM CO[C@H](C)COC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000924080557 618614467 /nfs/dbraw/zinc/61/44/67/618614467.db2.gz ZSNWINACIQNJOB-SSDOTTSWSA-N -1 1 284.262 2.692 20 0 CFADMM CCOCCOC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000924080524 618614576 /nfs/dbraw/zinc/61/45/76/618614576.db2.gz XZPDYSCLLCAFRL-UHFFFAOYSA-N -1 1 284.262 2.694 20 0 CFADMM CCc1oc(CN2C[C@@H](C)S[C@@H](C)C2)cc1C(=O)[O-] ZINC000901428292 620815710 /nfs/dbraw/zinc/81/57/10/620815710.db2.gz JQJFSMFKUAZEJQ-AOOOYVTPSA-N -1 1 283.393 2.866 20 0 CFADMM C[C@@H](CNC(=O)c1ccc([O-])cc1F)C(C)(C)C ZINC000229787814 618643581 /nfs/dbraw/zinc/64/35/81/618643581.db2.gz HNOVRLMRJMUUQA-VIFPVBQESA-N -1 1 253.317 2.943 20 0 CFADMM COCc1nc(NCCCSCC(C)C)cc(=O)[n-]1 ZINC000892985451 618790936 /nfs/dbraw/zinc/79/09/36/618790936.db2.gz JSVCDFJIJPXSSR-UHFFFAOYSA-N -1 1 285.413 2.520 20 0 CFADMM COCc1nc(NCCCCCCSC)cc(=O)[n-]1 ZINC000893129251 618841671 /nfs/dbraw/zinc/84/16/71/618841671.db2.gz ZIQSCQURACJCRV-UHFFFAOYSA-N -1 1 285.413 2.664 20 0 CFADMM C[C@@]1(CC[N-]S(=O)(=O)c2ccco2)CC1(Cl)Cl ZINC000832365316 625299102 /nfs/dbraw/zinc/29/91/02/625299102.db2.gz RMAMZFWZLYCJQX-SECBINFHSA-N -1 1 298.191 2.532 20 0 CFADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000162747936 618939971 /nfs/dbraw/zinc/93/99/71/618939971.db2.gz SMFJUADBQRHGGU-MPKXVKKWSA-N -1 1 297.301 2.643 20 0 CFADMM O=C([N-]c1c(F)cc(F)cc1F)c1cncc(Cl)n1 ZINC000236152765 619195665 /nfs/dbraw/zinc/19/56/65/619195665.db2.gz KCDJHMWHZWGFMS-UHFFFAOYSA-N -1 1 287.628 2.800 20 0 CFADMM O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1c([O-])cccc1Cl ZINC000889601417 619294425 /nfs/dbraw/zinc/29/44/25/619294425.db2.gz ZRLKFOXDYJUNBY-FXPVBKGRSA-N -1 1 265.740 2.964 20 0 CFADMM O=C1[N-]C(=S)SC1=Cc1cccc2c1OCCO2 ZINC000048625081 619363197 /nfs/dbraw/zinc/36/31/97/619363197.db2.gz NHFVZSTVNJXUGE-TWGQIWQCSA-N -1 1 279.342 2.787 20 0 CFADMM C[C@H]1CNc2c([N-]c3nc4cccc(F)c4o3)cnn2C1 ZINC000894949407 619517085 /nfs/dbraw/zinc/51/70/85/619517085.db2.gz QKGYHDPYUPVZBE-QMMMGPOBSA-N -1 1 287.298 2.969 20 0 CFADMM CN(C[C@H]1CCCCO1)C(=O)c1c([O-])cccc1Cl ZINC000049094076 619524865 /nfs/dbraw/zinc/52/48/65/619524865.db2.gz QRSSKPKEZUOZHZ-SNVBAGLBSA-N -1 1 283.755 2.687 20 0 CFADMM C[C@@H](CC(=O)[N-]OCc1ccccn1)c1cccc(F)c1 ZINC000909530667 619648502 /nfs/dbraw/zinc/64/85/02/619648502.db2.gz DFTTVCFWCRUTOW-LBPRGKRZSA-N -1 1 288.322 2.962 20 0 CFADMM CC(C)(O)[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000832472466 625363697 /nfs/dbraw/zinc/36/36/97/625363697.db2.gz ORZMJGFZLMRYEJ-JTQLQIEISA-N -1 1 297.782 2.669 20 0 CFADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCOC2(CCC2)C1 ZINC000896403766 619730355 /nfs/dbraw/zinc/73/03/55/619730355.db2.gz WPKDNRSGJXGJKN-SNVBAGLBSA-N -1 1 279.311 2.819 20 0 CFADMM CSC[C@@H](C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896454990 619738236 /nfs/dbraw/zinc/73/82/36/619738236.db2.gz GTTLLKBCDMTHJV-SECBINFHSA-N -1 1 291.372 2.732 20 0 CFADMM CSC1(c2noc(-c3cc(F)ccc3[O-])n2)CC1 ZINC000896782076 619813536 /nfs/dbraw/zinc/81/35/36/619813536.db2.gz NTDYSFMORFRYDA-UHFFFAOYSA-N -1 1 266.297 2.933 20 0 CFADMM C[C@@H]1CCCC[C@]1(C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000909565606 619880938 /nfs/dbraw/zinc/88/09/38/619880938.db2.gz CZUCZFMPNZKPEH-HWPZZCPQSA-N -1 1 289.379 2.758 20 0 CFADMM O=c1nc(N[C@@H]2CCOC23CCCCC3)cc(Cl)[n-]1 ZINC000896990150 619908833 /nfs/dbraw/zinc/90/88/33/619908833.db2.gz HUGYIBKFRBTBEW-SECBINFHSA-N -1 1 283.759 2.739 20 0 CFADMM O=c1nc(N[C@H]2CCCC3(CC3)C2)cc(Cl)[n-]1 ZINC000897041720 619920199 /nfs/dbraw/zinc/92/01/99/619920199.db2.gz LJYUJHFUNXGGLV-QMMMGPOBSA-N -1 1 253.733 2.970 20 0 CFADMM Cc1cn2nc([N-]c3cnn(C4CCC4)c3)sc2n1 ZINC000897103510 619933004 /nfs/dbraw/zinc/93/30/04/619933004.db2.gz YPTWLUVQPXHIJE-UHFFFAOYSA-N -1 1 274.353 2.764 20 0 CFADMM CC1(C)CCC[C@@H](CNc2cc(Cl)[n-]c(=O)n2)O1 ZINC000897254618 619960240 /nfs/dbraw/zinc/96/02/40/619960240.db2.gz TWYJAPOPVVEVHY-QMMMGPOBSA-N -1 1 271.748 2.595 20 0 CFADMM C[C@H](COCC1CCCCC1)NC(=O)c1cncc([O-])c1 ZINC000928704785 619995169 /nfs/dbraw/zinc/99/51/69/619995169.db2.gz LVZYUKZIRDMTBK-GFCCVEGCSA-N -1 1 292.379 2.502 20 0 CFADMM CC(C)(C)[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)CCO1 ZINC000263378734 620137408 /nfs/dbraw/zinc/13/74/08/620137408.db2.gz BCKISGIMFMRHDU-CQSZACIVSA-N -1 1 277.364 2.632 20 0 CFADMM CC(C)(C)[C@H]1CN(Cc2cccc(C(=O)[O-])c2)CCO1 ZINC000263378734 620137410 /nfs/dbraw/zinc/13/74/10/620137410.db2.gz BCKISGIMFMRHDU-CQSZACIVSA-N -1 1 277.364 2.632 20 0 CFADMM C[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccccc2)o1 ZINC000263406905 620141084 /nfs/dbraw/zinc/14/10/84/620141084.db2.gz KEFHAJVTVUSPOB-LLVKDONJSA-N -1 1 259.305 2.852 20 0 CFADMM O=C([O-])c1cccc(CN(Cc2cccnc2)C2CC2)c1 ZINC000263413744 620141784 /nfs/dbraw/zinc/14/17/84/620141784.db2.gz MJPMLFKQOJAYEO-UHFFFAOYSA-N -1 1 282.343 2.944 20 0 CFADMM O=C([O-])C1CCC(Nc2cc3c(cn2)CCC3)CC1 ZINC000263429752 620143873 /nfs/dbraw/zinc/14/38/73/620143873.db2.gz RSRZKJBIPIOIOX-UHFFFAOYSA-N -1 1 260.337 2.626 20 0 CFADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(F)ccc1F ZINC000263535759 620155518 /nfs/dbraw/zinc/15/55/18/620155518.db2.gz ZBINRRDPSDIXHX-VHSXEESVSA-N -1 1 269.291 2.650 20 0 CFADMM O=C(NOCCC1CC1)c1ccc2ccc(O)cc2c1[O-] ZINC000897840232 620292094 /nfs/dbraw/zinc/29/20/94/620292094.db2.gz CTEGVNBVIFRWNH-UHFFFAOYSA-N -1 1 287.315 2.713 20 0 CFADMM CCCC1(C(=O)Nc2cc(C(=O)OC(C)(C)C)[nH]n2)CC1 ZINC000898095918 620337620 /nfs/dbraw/zinc/33/76/20/620337620.db2.gz IQAKORCPMAYEPY-UHFFFAOYSA-N -1 1 293.367 2.884 20 0 CFADMM O=C([O-])c1ccc(CNCc2ccc(Cl)cc2)o1 ZINC000041582489 620446643 /nfs/dbraw/zinc/44/66/43/620446643.db2.gz MKIDZYGASSAJPX-UHFFFAOYSA-N -1 1 265.696 2.921 20 0 CFADMM O=C(c1cncc([O-])c1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000898412068 620459662 /nfs/dbraw/zinc/45/96/62/620459662.db2.gz ZYSOJXMHMNAIOM-HNNXBMFYSA-N -1 1 295.342 2.550 20 0 CFADMM O=C(NCc1ccc([O-])c(Cl)c1)C1(C2CC2)CC1 ZINC000899192929 620529077 /nfs/dbraw/zinc/52/90/77/620529077.db2.gz OBLPASOFTRSNGI-UHFFFAOYSA-N -1 1 265.740 2.852 20 0 CFADMM Cc1[n-]n(-c2cccc(Br)n2)c(=O)c1C(C)C ZINC000899350897 620550186 /nfs/dbraw/zinc/55/01/86/620550186.db2.gz SRMFZJSYFOEJBX-NSHDSACASA-N -1 1 296.168 2.839 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3cc(F)ccc3F)c(=O)c21 ZINC000899362414 620553207 /nfs/dbraw/zinc/55/32/07/620553207.db2.gz SPELBHRRFYINAL-JVXZTZIISA-N -1 1 250.248 2.714 20 0 CFADMM O=C(NC[C@H]1CCC2(CCC2)CO1)c1ccc([O-])cc1F ZINC000899467756 620573349 /nfs/dbraw/zinc/57/33/49/620573349.db2.gz VJDMVJMRCQBLIQ-GFCCVEGCSA-N -1 1 293.338 2.610 20 0 CFADMM COc1ccc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])o1 ZINC000900030748 620625056 /nfs/dbraw/zinc/62/50/56/620625056.db2.gz HLSAZXWFJHYASE-IAQYHMDHSA-N -1 1 289.331 2.840 20 0 CFADMM COc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)o1 ZINC000900038338 620627113 /nfs/dbraw/zinc/62/71/13/620627113.db2.gz QEZFDFGWIREIQJ-CQSZACIVSA-N -1 1 289.331 2.984 20 0 CFADMM CO[C@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC[C@H]1C ZINC000901460035 620829925 /nfs/dbraw/zinc/82/99/25/620829925.db2.gz PVGSVYNURQZDDV-YGRLFVJLSA-N -1 1 297.782 2.895 20 0 CFADMM 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/nfs/dbraw/zinc/17/84/71/626178471.db2.gz SJAHQFMYKGSBMB-PELKAZGASA-N -1 1 291.319 2.686 20 0 CFADMM O=C(N[C@@H]1CCC[C@]12CCCO2)c1c([O-])cccc1Cl ZINC000922309382 626264973 /nfs/dbraw/zinc/26/49/73/626264973.db2.gz QZNQHQXGRHGDAA-DOMZBBRYSA-N -1 1 295.766 2.877 20 0 CFADMM O=C(OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc([O-])cc1F ZINC000922582148 626317239 /nfs/dbraw/zinc/31/72/39/626317239.db2.gz GATOEBRBWSYEHE-FJPPDTINSA-N -1 1 286.249 2.979 20 0 CFADMM Cn1c(NCc2cccc([O-])c2Cl)nnc1C1CC1 ZINC000922662274 626335006 /nfs/dbraw/zinc/33/50/06/626335006.db2.gz IDOVNPCYUPDABK-UHFFFAOYSA-N -1 1 278.743 2.664 20 0 CFADMM Cc1nc(CN2CC[C@H](C(=O)[O-])C2)sc1C(C)(C)C ZINC000923225705 626458013 /nfs/dbraw/zinc/45/80/13/626458013.db2.gz ZEXWIDKCALJMJR-JTQLQIEISA-N -1 1 282.409 2.656 20 0 CFADMM CC[C@]1(C(=O)[O-])CCCN(Cc2cnc(Cl)s2)C1 ZINC000923471547 626475040 /nfs/dbraw/zinc/47/50/40/626475040.db2.gz QUNHSPXGGKATMF-LBPRGKRZSA-N -1 1 288.800 2.873 20 0 CFADMM Cc1cccc2[nH]cc(CC(=O)[N-]O[C@H]3CCCCO3)c21 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ZINC000762587737 626924924 /nfs/dbraw/zinc/92/49/24/626924924.db2.gz YAXYVGORSLROTL-UHFFFAOYSA-N -1 1 291.376 2.537 20 0 CFADMM CCCCCN(CCO)C(=O)c1c([O-])cccc1Cl ZINC000765233856 627125995 /nfs/dbraw/zinc/12/59/95/627125995.db2.gz STCCNPXPCOQPPI-UHFFFAOYSA-N -1 1 285.771 2.670 20 0 CFADMM O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1c([O-])cccc1Cl ZINC000765797276 627158411 /nfs/dbraw/zinc/15/84/11/627158411.db2.gz AEEHDUMBQPOGTA-MFKMUULPSA-N -1 1 295.766 2.733 20 0 CFADMM CC1(C)CC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000805323238 627191209 /nfs/dbraw/zinc/19/12/09/627191209.db2.gz MGGOGXNNAAIBMV-SNVBAGLBSA-N -1 1 253.729 2.964 20 0 CFADMM Cc1cccc2[nH]cc(CC(=O)[N-]OCC(F)(F)F)c21 ZINC000766764140 627219518 /nfs/dbraw/zinc/21/95/18/627219518.db2.gz JNVXHFUSFVNGGY-UHFFFAOYSA-N -1 1 286.253 2.629 20 0 CFADMM COc1ccccc1[C@H](C)CC(=O)[N-]OCC(F)(F)F ZINC000766769513 627219746 /nfs/dbraw/zinc/21/97/46/627219746.db2.gz WOCWMBXHMIIAHE-SECBINFHSA-N -1 1 291.269 2.799 20 0 CFADMM Cc1oc2ccccc2c1CC[N-]C(=O)C(F)(F)F ZINC000768574334 627354792 /nfs/dbraw/zinc/35/47/92/627354792.db2.gz CAAVORYODQGWST-UHFFFAOYSA-N -1 1 271.238 2.962 20 0 CFADMM C[C@H]1C[C@H](C)N(C(=O)c2c([O-])cccc2Cl)C1 ZINC000769911524 627487020 /nfs/dbraw/zinc/48/70/20/627487020.db2.gz PNEOVBJESPGDNP-IUCAKERBSA-N -1 1 253.729 2.916 20 0 CFADMM O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1c([O-])cccc1Cl ZINC000769994850 627495199 /nfs/dbraw/zinc/49/51/99/627495199.db2.gz XPNNWIVKEJYCDI-UFGOTCBOSA-N -1 1 295.766 2.733 20 0 CFADMM Cc1cncc(/C=C\C(=O)Nc2c([O-])cccc2F)c1 ZINC000770862256 627552233 /nfs/dbraw/zinc/55/22/33/627552233.db2.gz LXABNEBQSQHCJK-WAYWQWQTSA-N -1 1 272.279 2.887 20 0 CFADMM C[C@H]1C[C@H](CNC(=O)c2c([O-])cccc2Cl)CCO1 ZINC000771326135 627593451 /nfs/dbraw/zinc/59/34/51/627593451.db2.gz OEXACLPFSNFZKW-VHSXEESVSA-N -1 1 283.755 2.591 20 0 CFADMM O=C(COC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1 ZINC000773569070 627837999 /nfs/dbraw/zinc/83/79/99/627837999.db2.gz UGBYXDZCPTWMMU-UHFFFAOYSA-N -1 1 292.237 2.710 20 0 CFADMM Cc1nc(C)c(COC(=O)c2ccc([O-])cc2F)s1 ZINC000773574148 627838896 /nfs/dbraw/zinc/83/88/96/627838896.db2.gz AOFTWDVSTDAPNY-UHFFFAOYSA-N -1 1 281.308 2.962 20 0 CFADMM O=C(OCc1ccc(Cl)nc1)c1ccc([O-])cc1F ZINC000773582235 627839046 /nfs/dbraw/zinc/83/90/46/627839046.db2.gz ONWLRTFLFHEFKZ-UHFFFAOYSA-N -1 1 281.670 2.937 20 0 CFADMM CN(C)c1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000773754313 627855086 /nfs/dbraw/zinc/85/50/86/627855086.db2.gz SEEKXYNOPWYWAZ-UHFFFAOYSA-N -1 1 292.285 2.989 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)C2CCCCCCC2)[n-]1 ZINC000774295062 627912880 /nfs/dbraw/zinc/91/28/80/627912880.db2.gz ZWKYUUYXZHBADV-UHFFFAOYSA-N -1 1 293.367 2.885 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)C2CCCCCCC2)n1 ZINC000774295062 627912881 /nfs/dbraw/zinc/91/28/81/627912881.db2.gz ZWKYUUYXZHBADV-UHFFFAOYSA-N -1 1 293.367 2.885 20 0 CFADMM C[C@H]1CCN(Cc2cc(=O)oc3cc([O-])ccc23)C[C@H]1F ZINC000778231110 628290052 /nfs/dbraw/zinc/29/00/52/628290052.db2.gz CZDVTOPSFLTORH-IINYFYTJSA-N -1 1 291.322 2.679 20 0 CFADMM COc1ccc2cc([C@H](C)OC(=O)c3cn[n-]n3)ccc2c1 ZINC000805604081 628294380 /nfs/dbraw/zinc/29/43/80/628294380.db2.gz VBSXHVIGWWHJNG-JTQLQIEISA-N -1 1 297.314 2.885 20 0 CFADMM O=C(OCCCOc1ccc2ccccc2c1)c1cn[n-]n1 ZINC000805604918 628297688 /nfs/dbraw/zinc/29/76/88/628297688.db2.gz RNQDWUWLFHHPPJ-UHFFFAOYSA-N -1 1 297.314 2.584 20 0 CFADMM Cc1cccn2cc(CC(=O)[N-]OC3CCCCC3)nc12 ZINC000779323479 628373807 /nfs/dbraw/zinc/37/38/07/628373807.db2.gz QCINEYQISXSJET-UHFFFAOYSA-N -1 1 287.363 2.566 20 0 CFADMM Cc1noc(Cl)c1CC(=O)[N-]OC1CCCCC1 ZINC000779323685 628374163 /nfs/dbraw/zinc/37/41/63/628374163.db2.gz SKEIASDZYKMDBK-UHFFFAOYSA-N -1 1 272.732 2.559 20 0 CFADMM C[C@](O)(CC(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC000780994252 628511873 /nfs/dbraw/zinc/51/18/73/628511873.db2.gz RMQXHGAFGABNRF-INIZCTEOSA-N -1 1 289.306 2.768 20 0 CFADMM O=C(/C=C\c1cccc(O)c1)Nc1c([O-])cccc1F ZINC000781096363 628521230 /nfs/dbraw/zinc/52/12/30/628521230.db2.gz FHSPYSDQVICLPK-FPLPWBNLSA-N -1 1 273.263 2.889 20 0 CFADMM Cc1nnc([C@H](C)OC(=O)c2ccc([O-])cc2F)s1 ZINC000784515681 628823582 /nfs/dbraw/zinc/82/35/82/628823582.db2.gz DKAUWNLVRJUDMX-LURJTMIESA-N -1 1 282.296 2.609 20 0 CFADMM CN(C)c1cccc(COC(=O)c2ccc([O-])cc2F)c1 ZINC000784519480 628823660 /nfs/dbraw/zinc/82/36/60/628823660.db2.gz VMFFVQMXDIXXFH-UHFFFAOYSA-N -1 1 289.306 2.954 20 0 CFADMM C[C@@H]1C[C@@H](COC(=O)c2ccc([O-])cc2F)CCO1 ZINC000784519450 628823948 /nfs/dbraw/zinc/82/39/48/628823948.db2.gz UVZKBORUHUFWBY-ZJUUUORDSA-N -1 1 268.284 2.503 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)/C=C/C(C)C)c1 ZINC000785059574 628862993 /nfs/dbraw/zinc/86/29/93/628862993.db2.gz OLHPKNFAJIXEIC-QPJJXVBHSA-N -1 1 276.332 2.893 20 0 CFADMM CCc1ccc(C(=O)Nc2ccnn2CC2CC2)c([O-])c1 ZINC000787126633 628994893 /nfs/dbraw/zinc/99/48/93/628994893.db2.gz NCXYJNHGOHHMLJ-UHFFFAOYSA-N -1 1 285.347 2.813 20 0 CFADMM C[C@H](C(=O)[N-]OCC(C)(C)O)c1ccc2ccccc2c1 ZINC000788224777 629051967 /nfs/dbraw/zinc/05/19/67/629051967.db2.gz SIMAPVSGNILBDW-LBPRGKRZSA-N -1 1 287.359 2.762 20 0 CFADMM COC(=O)c1c[n-]c(SCc2ccc(CF)cc2)n1 ZINC000788509232 629076209 /nfs/dbraw/zinc/07/62/09/629076209.db2.gz NYESZXZRBDYFFO-UHFFFAOYSA-N -1 1 280.324 2.958 20 0 CFADMM C[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccco1 ZINC000790051700 629205290 /nfs/dbraw/zinc/20/52/90/629205290.db2.gz RBMXPCQMEHCZMF-SSDOTTSWSA-N -1 1 266.684 2.776 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1scnc1Cl ZINC000790049366 629205652 /nfs/dbraw/zinc/20/56/52/629205652.db2.gz ZMNYJXBCYWPMKD-UHFFFAOYSA-N -1 1 290.131 2.803 20 0 CFADMM COCCC[C@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000792551344 629432796 /nfs/dbraw/zinc/43/27/96/629432796.db2.gz LCLNIMJVBNSHND-GFCCVEGCSA-N -1 1 289.297 2.703 20 0 CFADMM COCCC1(NC(=O)c2c([O-])cccc2Cl)CCC1 ZINC000794164522 629618050 /nfs/dbraw/zinc/61/80/50/629618050.db2.gz VGEBEBPYWCFDTI-UHFFFAOYSA-N -1 1 283.755 2.735 20 0 CFADMM CCc1ccc([C@@H](C)C(=O)[N-]OCCSC)cc1 ZINC000794180075 629618771 /nfs/dbraw/zinc/61/87/71/629618771.db2.gz FSJYLSIZTLENQK-LLVKDONJSA-N -1 1 267.394 2.763 20 0 CFADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)c1ccc2c(c1)OCO2 ZINC000794844372 629693642 /nfs/dbraw/zinc/69/36/42/629693642.db2.gz ZIRYPKLECSCXTF-MNOVXSKESA-N -1 1 279.336 2.613 20 0 CFADMM CC[C@H](C)CO[N-]C(=O)[C@H](C)c1ccc2c(c1)OCO2 ZINC000794844376 629693909 /nfs/dbraw/zinc/69/39/09/629693909.db2.gz ZIRYPKLECSCXTF-WDEREUQCSA-N -1 1 279.336 2.613 20 0 CFADMM COC(=O)c1ccc(C(=O)OCc2c(C)cccc2C)[n-]1 ZINC000796347812 629907042 /nfs/dbraw/zinc/90/70/42/629907042.db2.gz WXSANZROTKIDIK-UHFFFAOYSA-N -1 1 287.315 2.775 20 0 CFADMM COC(=O)c1ccc(C(=O)OCC2CCCCC2)[n-]1 ZINC000796350868 629907792 /nfs/dbraw/zinc/90/77/92/629907792.db2.gz OSLBDEDIIYGTTR-UHFFFAOYSA-N -1 1 265.309 2.538 20 0 CFADMM COC(=O)c1ccc(C(=O)OCC2CCCCCC2)[n-]1 ZINC000796370046 629909678 /nfs/dbraw/zinc/90/96/78/629909678.db2.gz USVYSHCNIQMNRP-UHFFFAOYSA-N -1 1 279.336 2.929 20 0 CFADMM COCCO[N-]C(=O)[C@@H](C)c1cccc(CC(C)C)c1 ZINC000796964969 629996965 /nfs/dbraw/zinc/99/69/65/629996965.db2.gz LENKQDCMLDAULT-ZDUSSCGKSA-N -1 1 279.380 2.683 20 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KAOHTZWZSGBSAU-UHFFFAOYSA-N -1 1 283.262 2.727 20 0 CFADMM COc1cc(C(=O)N2CCC[C@@H]3C[C@@H]32)cc(Cl)c1[O-] ZINC000804294253 630668511 /nfs/dbraw/zinc/66/85/11/630668511.db2.gz SCIAGBUATRLLQL-KCJUWKMLSA-N -1 1 281.739 2.679 20 0 CFADMM CC(C)Cc1cccc([C@@H](C)C(=O)[N-]OC(C)(C)CO)c1 ZINC000836806654 630887691 /nfs/dbraw/zinc/88/76/91/630887691.db2.gz RIEYSHCGRFCRDX-CYBMUJFWSA-N -1 1 293.407 2.807 20 0 CFADMM C[C@H](Cc1ccco1)NC(=O)c1c(F)ccc([O-])c1F ZINC000809603489 631244182 /nfs/dbraw/zinc/24/41/82/631244182.db2.gz QCHMWSAPFFFILN-MRVPVSSYSA-N -1 1 281.258 2.624 20 0 CFADMM Cc1noc(C)c1CN(C)C(=O)c1c(F)ccc([O-])c1F ZINC000809603625 631245106 /nfs/dbraw/zinc/24/51/06/631245106.db2.gz SDBKEYIBZWYLDB-UHFFFAOYSA-N -1 1 296.273 2.547 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000841459429 631408646 /nfs/dbraw/zinc/40/86/46/631408646.db2.gz CPVDPMALJDAGGM-UMNHJUIQSA-N -1 1 291.395 2.731 20 0 CFADMM Cc1cc(C)cc(NC(=O)CO[N-]C(=O)CC(C)(C)C)c1 ZINC000842060790 631519479 /nfs/dbraw/zinc/51/94/79/631519479.db2.gz PNRTZZOSHCIDIH-UHFFFAOYSA-N -1 1 292.379 2.726 20 0 CFADMM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1cncc([O-])c1 ZINC000812417147 631711958 /nfs/dbraw/zinc/71/19/58/631711958.db2.gz DEIHQFHCOJMDHN-VXGBXAGGSA-N -1 1 278.352 2.617 20 0 CFADMM O=C(Cc1c(F)cccc1Cl)[N-]OC1CCC1 ZINC000812788090 631775713 /nfs/dbraw/zinc/77/57/13/631775713.db2.gz OEMFHPQUXYZDCF-UHFFFAOYSA-N -1 1 257.692 2.622 20 0 CFADMM O=C(Nc1c([O-])cccc1F)[C@@H](O)c1ccc(Cl)cc1 ZINC000813501052 631927060 /nfs/dbraw/zinc/92/70/60/631927060.db2.gz PAVGIKQIKUYPPB-ZDUSSCGKSA-N -1 1 295.697 2.857 20 0 CFADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)C(F)(F)F ZINC000813812519 631961241 /nfs/dbraw/zinc/96/12/41/631961241.db2.gz UBQJCMBVRKBFDB-RXMQYKEDSA-N -1 1 267.634 2.726 20 0 CFADMM CC[C@@H](C)C[C@H](CO)NC(=O)c1c([O-])cccc1Cl ZINC000844037031 632100922 /nfs/dbraw/zinc/10/09/22/632100922.db2.gz SCMHKUANLHKRBM-NXEZZACHSA-N -1 1 285.771 2.573 20 0 CFADMM CCCONC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000844079883 632109691 /nfs/dbraw/zinc/10/96/91/632109691.db2.gz CLTQMRZICWWJNU-UHFFFAOYSA-N -1 1 273.716 2.516 20 0 CFADMM CCCO[N-]C(=O)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000844087566 632115424 /nfs/dbraw/zinc/11/54/24/632115424.db2.gz BFIKPZPCBRORCH-UHFFFAOYSA-N -1 1 295.354 2.623 20 0 CFADMM C[C@@]1(CC[N-]C(=O)C(F)(F)C(F)F)C[C@@]1(F)Cl ZINC000844808143 632313542 /nfs/dbraw/zinc/31/35/42/632313542.db2.gz HRQPOKYBJGESMS-SFYZADRCSA-N -1 1 279.636 2.708 20 0 CFADMM O=C([N-]CCC[C@H]1CC1(Cl)Cl)C(F)(F)C(F)F ZINC000844965508 632347776 /nfs/dbraw/zinc/34/77/76/632347776.db2.gz RXRXJPXJPYXWHT-YFKPBYRVSA-N -1 1 296.091 2.977 20 0 CFADMM COCC(C)(C)N(C)C(=O)c1c([O-])cccc1Cl ZINC000817030450 632547260 /nfs/dbraw/zinc/54/72/60/632547260.db2.gz RJVJCQJCXXLWKD-UHFFFAOYSA-N -1 1 271.744 2.543 20 0 CFADMM CCN(C)[C@@H](C(=O)[N-]OCCC1CC1)c1ccccc1 ZINC000817437538 632634287 /nfs/dbraw/zinc/63/42/87/632634287.db2.gz NXXYQSUZLLIQOM-OAHLLOKOSA-N -1 1 276.380 2.527 20 0 CFADMM O=C([O-])CN(C/C=C\Cl)Cc1ccc(Cl)cc1 ZINC000846263837 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ZINC001239599226 779650374 /nfs/dbraw/zinc/65/03/74/779650374.db2.gz JFLBVLGIFKOXKN-UHFFFAOYSA-N -1 1 262.245 2.773 20 0 CFADMM [O-]c1cc(F)c(CN2CC[C@H]3OCC[C@@H]3C2)cc1Cl ZINC001238150692 779754254 /nfs/dbraw/zinc/75/42/54/779754254.db2.gz XQAYAHGLESLBMI-YMTOWFKASA-N -1 1 285.746 2.796 20 0 CFADMM CC(C)Oc1cccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1 ZINC001239972805 779890262 /nfs/dbraw/zinc/89/02/62/779890262.db2.gz ZSENBUNHFJFJKP-UHFFFAOYSA-N -1 1 295.338 2.953 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccc(C)cc3)no2)n[n-]1 ZINC001212429923 780175071 /nfs/dbraw/zinc/17/50/71/780175071.db2.gz QQOJBGFXZURBSW-UHFFFAOYSA-N -1 1 268.276 2.638 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccc(C)cc3)no2)[n-]n1 ZINC001212429923 780175078 /nfs/dbraw/zinc/17/50/78/780175078.db2.gz QQOJBGFXZURBSW-UHFFFAOYSA-N -1 1 268.276 2.638 20 0 CFADMM COc1cc(C)cc(-c2noc(-c3cc(C(C)=O)[n-]n3)n2)c1 ZINC001212430091 780175728 /nfs/dbraw/zinc/17/57/28/780175728.db2.gz ZPIZSHUAIPMMDS-UHFFFAOYSA-N -1 1 298.302 2.646 20 0 CFADMM COc1cc(C)cc(-c2noc(-c3cc(C(C)=O)n[n-]3)n2)c1 ZINC001212430091 780175731 /nfs/dbraw/zinc/17/57/31/780175731.db2.gz ZPIZSHUAIPMMDS-UHFFFAOYSA-N -1 1 298.302 2.646 20 0 CFADMM CSc1ncc(F)c(-c2cc(F)ccc2[O-])n1 ZINC001240693160 780364564 /nfs/dbraw/zinc/36/45/64/780364564.db2.gz DPFAIFMBRCEXRT-UHFFFAOYSA-N -1 1 254.261 2.849 20 0 CFADMM NC(=O)c1cnc(-c2cc(F)ccc2[O-])c2sccc21 ZINC001240696572 780368507 /nfs/dbraw/zinc/36/85/07/780368507.db2.gz SDWFQDRHFJZFPO-UHFFFAOYSA-N -1 1 288.303 2.907 20 0 CFADMM [O-]c1ccc(F)cc1-c1cnc(N2CCCC2)cn1 ZINC001240698564 780370485 /nfs/dbraw/zinc/37/04/85/780370485.db2.gz OBFZTNSHCBZLEQ-UHFFFAOYSA-N -1 1 259.284 2.589 20 0 CFADMM [O-]c1ccc(F)cc1-c1cnc(OC2CCC2)cn1 ZINC001240698517 780370751 /nfs/dbraw/zinc/37/07/51/780370751.db2.gz NTRNIGCRGLURSM-UHFFFAOYSA-N -1 1 260.268 2.920 20 0 CFADMM Cc1cc2c(c(-c3ccc(C)c(C)c3)n1)C(=O)[N-]C2=O ZINC001240700150 780371314 /nfs/dbraw/zinc/37/13/14/780371314.db2.gz LEINWHGTSQXKLC-UHFFFAOYSA-N -1 1 266.300 2.557 20 0 CFADMM O=[P@@]([O-])(O)c1ccc(-c2cccc3[nH]ccc32)cc1 ZINC001240714297 780384654 /nfs/dbraw/zinc/38/46/54/780384654.db2.gz RFZWMKZDNHODNV-UHFFFAOYSA-N -1 1 273.228 2.638 20 0 CFADMM O=[P@]([O-])(O)c1ccc(-c2cccc3[nH]ccc32)cc1 ZINC001240714297 780384663 /nfs/dbraw/zinc/38/46/63/780384663.db2.gz RFZWMKZDNHODNV-UHFFFAOYSA-N -1 1 273.228 2.638 20 0 CFADMM COc1cc(-c2noc(-c3ncccc3[O-])n2)ccc1C ZINC001212480847 780396204 /nfs/dbraw/zinc/39/62/04/780396204.db2.gz MGAQLPZEVCVNQF-UHFFFAOYSA-N -1 1 283.287 2.821 20 0 CFADMM CC(C)n1cnc2cnc(-c3ccc([O-])c(F)c3)nc21 ZINC001240782511 780436499 /nfs/dbraw/zinc/43/64/99/780436499.db2.gz FUKQXFRSZASJMP-UHFFFAOYSA-N -1 1 272.283 2.919 20 0 CFADMM Cc1nc2nc[nH]c2cc1-c1ccc(C(=O)[O-])s1 ZINC001240846934 780473109 /nfs/dbraw/zinc/47/31/09/780473109.db2.gz DFKVPJGQAKPJAS-UHFFFAOYSA-N -1 1 259.290 2.693 20 0 CFADMM Cc1nc2c[nH]cc(-c3ccc(CC(=O)[O-])cc3)c-2n1 ZINC001240976633 780565575 /nfs/dbraw/zinc/56/55/75/780565575.db2.gz UMFQVVPMWJJJII-UHFFFAOYSA-N -1 1 267.288 2.560 20 0 CFADMM Cc1nc2c(cncc2-c2ccc(CC(=O)[O-])cc2)[nH]1 ZINC001240976633 780565582 /nfs/dbraw/zinc/56/55/82/780565582.db2.gz UMFQVVPMWJJJII-UHFFFAOYSA-N -1 1 267.288 2.560 20 0 CFADMM Cn1ccc2ncnc(-c3c(F)cc([O-])cc3F)c21 ZINC001241116634 780645154 /nfs/dbraw/zinc/64/51/54/780645154.db2.gz CYLMZRPICXTNQN-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM COc1nccc2c1ncnc2-c1c(F)cc([O-])cc1F ZINC001241116932 780645197 /nfs/dbraw/zinc/64/51/97/780645197.db2.gz IDFNVJWXEVTEEO-UHFFFAOYSA-N -1 1 289.241 2.684 20 0 CFADMM COC(=O)c1cc(OC)cc(-c2c(F)cc([O-])cc2F)n1 ZINC001241117912 780646191 /nfs/dbraw/zinc/64/61/91/780646191.db2.gz XJXMVQGUPVSWDX-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM COC(=O)c1cnc(-c2c(F)cc([O-])cc2F)c(OC)c1 ZINC001241117457 780646247 /nfs/dbraw/zinc/64/62/47/780646247.db2.gz PGAHZUWFHXXQIU-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM [O-]c1cc(F)c(-c2cc(N3CCCC3)ncn2)c(F)c1 ZINC001241118241 780647712 /nfs/dbraw/zinc/64/77/12/780647712.db2.gz PDNFZTNOOUUQMX-UHFFFAOYSA-N -1 1 277.274 2.728 20 0 CFADMM CCCNC(=O)c1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241120526 780648336 /nfs/dbraw/zinc/64/83/36/780648336.db2.gz YTNALQFAVGCFEV-UHFFFAOYSA-N -1 1 292.285 2.872 20 0 CFADMM [O-]c1cc(F)c(-c2cccc(N3CCOCC3)n2)c(F)c1 ZINC001241120245 780648483 /nfs/dbraw/zinc/64/84/83/780648483.db2.gz NXURFXIUYGLVIE-UHFFFAOYSA-N -1 1 292.285 2.569 20 0 CFADMM O=C1NCc2cccc(-c3c(F)cc([O-])cc3F)c2N1 ZINC001241121174 780649646 /nfs/dbraw/zinc/64/96/46/780649646.db2.gz CYSMFAFJSYYWES-UHFFFAOYSA-N -1 1 276.242 2.973 20 0 CFADMM CN1Cc2cc(-c3c(F)cc([O-])cc3F)ccc2C1=O ZINC001241121024 780649907 /nfs/dbraw/zinc/64/99/07/780649907.db2.gz YPIQMQROLYTZFO-UHFFFAOYSA-N -1 1 275.254 2.923 20 0 CFADMM CNC(=O)c1ccc(-c2c(F)cc([O-])cc2F)cc1F ZINC001241122634 780652146 /nfs/dbraw/zinc/65/21/46/780652146.db2.gz IZSSFNWWZCIDDT-UHFFFAOYSA-N -1 1 281.233 2.836 20 0 CFADMM CC(C)Oc1cc(F)cc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001241166995 780677912 /nfs/dbraw/zinc/67/79/12/780677912.db2.gz PJCWKQCPEZWKBE-UHFFFAOYSA-N -1 1 299.309 2.855 20 0 CFADMM CC(C)Oc1cc(F)cc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001241166995 780677915 /nfs/dbraw/zinc/67/79/15/780677915.db2.gz PJCWKQCPEZWKBE-UHFFFAOYSA-N -1 1 299.309 2.855 20 0 CFADMM CCOc1cccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1F ZINC001241265275 780743480 /nfs/dbraw/zinc/74/34/80/780743480.db2.gz FSRAMHCAFSMWDS-UHFFFAOYSA-N -1 1 299.301 2.704 20 0 CFADMM [O-]c1ccc(F)c(-c2ncnc3sncc32)c1F ZINC001241288898 780757876 /nfs/dbraw/zinc/75/78/76/780757876.db2.gz AIXSDYSEMZXXAA-UHFFFAOYSA-N -1 1 265.244 2.737 20 0 CFADMM Cc1cc2ncnc(-c3c(F)ccc([O-])c3F)c2[nH]1 ZINC001241288919 780758352 /nfs/dbraw/zinc/75/83/52/780758352.db2.gz BIKIFNSECGQGIM-UHFFFAOYSA-N -1 1 261.231 2.917 20 0 CFADMM CSc1cnc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241289089 780758633 /nfs/dbraw/zinc/75/86/33/780758633.db2.gz KEXVINSTHAMLFZ-UHFFFAOYSA-N -1 1 254.261 2.849 20 0 CFADMM COc1cnc2c(c1)ncnc2-c1c(F)ccc([O-])c1F ZINC001241288940 780758674 /nfs/dbraw/zinc/75/86/74/780758674.db2.gz CHCYSJCYSSJLIS-UHFFFAOYSA-N -1 1 289.241 2.684 20 0 CFADMM CCOc1cc(C)nc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290869 780759336 /nfs/dbraw/zinc/75/93/36/780759336.db2.gz PPZKROZTWXEJAX-UHFFFAOYSA-N -1 1 266.247 2.835 20 0 CFADMM CC1(c2ccnc(-c3c(F)ccc([O-])c3F)c2)OCCO1 ZINC001241289797 780759427 /nfs/dbraw/zinc/75/94/27/780759427.db2.gz ZOTHNBISSSDNBQ-UHFFFAOYSA-N -1 1 293.269 2.952 20 0 CFADMM CN(C)c1cccc(-c2c(F)ccc([O-])c2F)n1 ZINC001241289958 780759835 /nfs/dbraw/zinc/75/98/35/780759835.db2.gz GFZMYUWLQYONTJ-UHFFFAOYSA-N -1 1 250.248 2.798 20 0 CFADMM COc1cnc(-c2c(F)ccc([O-])c2F)nc1NC(C)C ZINC001241290982 780760011 /nfs/dbraw/zinc/76/00/11/780760011.db2.gz SOYZTIFDHZXHLA-UHFFFAOYSA-N -1 1 295.289 2.956 20 0 CFADMM [O-]c1ccc(F)c(-c2cnc3ncccc3n2)c1F ZINC001241291702 780761182 /nfs/dbraw/zinc/76/11/82/780761182.db2.gz SFNFGEPPBPKIQB-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM Cn1cnc2cnc(-c3c(F)ccc([O-])c3F)cc21 ZINC001241291229 780761385 /nfs/dbraw/zinc/76/13/85/780761385.db2.gz KGIVJQURNOWAPJ-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM [O-]c1ccc(F)c(-c2ccc3nccnc3n2)c1F ZINC001241291195 780761659 /nfs/dbraw/zinc/76/16/59/780761659.db2.gz IULGXPOWSFPHED-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM [O-]c1ccc(F)c(-c2cc(O[C@H]3CCOC3)ccn2)c1F ZINC001241295291 780766395 /nfs/dbraw/zinc/76/63/95/780766395.db2.gz MUTAQNNXAZGIMN-JTQLQIEISA-N -1 1 293.269 2.900 20 0 CFADMM COc1ccc(-c2cc(C(=O)[N-]c3nocc3C)no2)cc1 ZINC001128731613 780774642 /nfs/dbraw/zinc/77/46/42/780774642.db2.gz PVAFRLGAKYWPPS-UHFFFAOYSA-N -1 1 299.286 2.899 20 0 CFADMM CC(C)(C)c1nc2nc[nH]c2c(-c2cccc(C(=O)[O-])c2)n1 ZINC001241358286 780807293 /nfs/dbraw/zinc/80/72/93/780807293.db2.gz MATULWNNAPLIDJ-UHFFFAOYSA-N -1 1 296.330 2.967 20 0 CFADMM O=C([O-])c1cccc(-c2cc(-n3ccnc3)ccn2)c1 ZINC001241358167 780808087 /nfs/dbraw/zinc/80/80/87/780808087.db2.gz QTAQZLQKFRHNPP-UHFFFAOYSA-N -1 1 265.272 2.633 20 0 CFADMM Cc1nc2c[nH]cc(-c3cccc(C(=O)[O-])c3)c-2n1 ZINC001241361054 780811807 /nfs/dbraw/zinc/81/18/07/780811807.db2.gz XVKTVZMXJYPAIL-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM Cc1nc2c(cncc2-c2cccc(C(=O)[O-])c2)[nH]1 ZINC001241361054 780811809 /nfs/dbraw/zinc/81/18/09/780811809.db2.gz XVKTVZMXJYPAIL-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM COC(=O)c1nc2cc(-c3ccc(N)cc3)ccc2[n-]1 ZINC001241542377 780965942 /nfs/dbraw/zinc/96/59/42/780965942.db2.gz AGPCORIDPYFQHW-UHFFFAOYSA-N -1 1 267.288 2.599 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc(N)cc3)cc2[n-]1 ZINC001241542377 780965945 /nfs/dbraw/zinc/96/59/45/780965945.db2.gz AGPCORIDPYFQHW-UHFFFAOYSA-N -1 1 267.288 2.599 20 0 CFADMM CCc1cccc(-c2nc(C)cc3c2C(=O)[N-]C3=O)c1 ZINC001241544830 780968475 /nfs/dbraw/zinc/96/84/75/780968475.db2.gz LFWXHFICRUEJLU-UHFFFAOYSA-N -1 1 266.300 2.503 20 0 CFADMM O=C([O-])[C@H]1CCN(Cc2csc(C(F)(F)F)c2)C1 ZINC000703283687 781002719 /nfs/dbraw/zinc/00/27/19/781002719.db2.gz JWCZZAGDMVFEAK-QMMMGPOBSA-N -1 1 279.283 2.673 20 0 CFADMM COC(=O)c1nc2ccc(-c3cccc4c[nH]nc43)cc2[n-]1 ZINC001241623599 781025859 /nfs/dbraw/zinc/02/58/59/781025859.db2.gz ZALREVUVQMHDOT-UHFFFAOYSA-N -1 1 292.298 2.893 20 0 CFADMM COC(=O)c1nc2cc(-c3cccc4c[nH]nc43)ccc2[n-]1 ZINC001241623599 781025866 /nfs/dbraw/zinc/02/58/66/781025866.db2.gz ZALREVUVQMHDOT-UHFFFAOYSA-N -1 1 292.298 2.893 20 0 CFADMM COc1ccc(-c2cc3nc[nH]c3cc2OC)cc1C(=O)[O-] ZINC001241874537 781161630 /nfs/dbraw/zinc/16/16/30/781161630.db2.gz KCCCUPGKPJXBLI-UHFFFAOYSA-N -1 1 298.298 2.945 20 0 CFADMM COc1cc(-c2ccc([O-])c(C(F)(F)F)c2)ncn1 ZINC001242147932 781300932 /nfs/dbraw/zinc/30/09/32/781300932.db2.gz JSYKDUFXECUAJA-UHFFFAOYSA-N -1 1 270.210 2.877 20 0 CFADMM COC(=O)c1cncc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242147875 781301395 /nfs/dbraw/zinc/30/13/95/781301395.db2.gz HKHFIDJKIQUHJF-UHFFFAOYSA-N -1 1 298.220 2.655 20 0 CFADMM CN(C)c1ccnc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151394 781302917 /nfs/dbraw/zinc/30/29/17/781302917.db2.gz LYAMJUFBNGRKNY-UHFFFAOYSA-N -1 1 283.253 2.934 20 0 CFADMM O=C1Cc2cc(-c3ccc4cnccc4c3)ccc2C(=O)[N-]1 ZINC001242246014 781343652 /nfs/dbraw/zinc/34/36/52/781343652.db2.gz UZPNRINEBUTNLK-UHFFFAOYSA-N -1 1 288.306 2.714 20 0 CFADMM O=C([O-])Cc1cccc(-c2ccc3nc[nH]c3c2)c1 ZINC001242263575 781348558 /nfs/dbraw/zinc/34/85/58/781348558.db2.gz IOTHICQEUQDROT-UHFFFAOYSA-N -1 1 252.273 2.857 20 0 CFADMM COc1nccc(-c2cccc(Cl)c2[O-])c1N ZINC001242364827 781437322 /nfs/dbraw/zinc/43/73/22/781437322.db2.gz QUDWRVSUEWIORP-UHFFFAOYSA-N -1 1 250.685 2.698 20 0 CFADMM COC(=O)c1cncc(-c2cccc(Cl)c2[O-])c1 ZINC001242364850 781437368 /nfs/dbraw/zinc/43/73/68/781437368.db2.gz SEISLWMXQQQQLU-UHFFFAOYSA-N -1 1 263.680 2.894 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](CF)C1 ZINC000711472779 781437722 /nfs/dbraw/zinc/43/77/22/781437722.db2.gz WJQGXVWMWAOAQG-NSHDSACASA-N -1 1 273.307 2.977 20 0 CFADMM NC(=O)c1ccc(-c2cccc(Cl)c2[O-])cc1F ZINC001242366767 781439062 /nfs/dbraw/zinc/43/90/62/781439062.db2.gz DSBYFUCMZJGHBV-UHFFFAOYSA-N -1 1 265.671 2.951 20 0 CFADMM COC(=O)c1nc2ccc(-c3cnn(C(C)C)c3)cc2[n-]1 ZINC001242435490 781501133 /nfs/dbraw/zinc/50/11/33/781501133.db2.gz HOMQUEWOHLOHTF-UHFFFAOYSA-N -1 1 284.319 2.794 20 0 CFADMM COC(=O)c1nc2cc(-c3cnn(C(C)C)c3)ccc2[n-]1 ZINC001242435490 781501139 /nfs/dbraw/zinc/50/11/39/781501139.db2.gz HOMQUEWOHLOHTF-UHFFFAOYSA-N -1 1 284.319 2.794 20 0 CFADMM NC(=O)c1cc2c(nc1-c1cccc([O-])c1Cl)CCC2 ZINC001242800036 781765757 /nfs/dbraw/zinc/76/57/57/781765757.db2.gz CBYMNQATBRYUNL-UHFFFAOYSA-N -1 1 288.734 2.695 20 0 CFADMM COc1ccc(-c2cccc([O-])c2Cl)c(C(N)=O)c1 ZINC001242801987 781767506 /nfs/dbraw/zinc/76/75/06/781767506.db2.gz KVVADIHTWOZTAN-UHFFFAOYSA-N -1 1 277.707 2.820 20 0 CFADMM CCNC(=O)c1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242801863 781767631 /nfs/dbraw/zinc/76/76/31/781767631.db2.gz ZPRVYJHCVSFMHC-UHFFFAOYSA-N -1 1 276.723 2.857 20 0 CFADMM CCC(CC)(CCO)NC(=O)c1cc(Cl)ccc1[O-] ZINC000436677294 534924275 /nfs/dbraw/zinc/92/42/75/534924275.db2.gz WQMIKKOEQDDWCY-UHFFFAOYSA-N -1 1 285.771 2.717 20 0 CFADMM O=C([O-])c1cccc(-n2[nH]c3c(c2=O)CCCCC3)c1 ZINC000070136315 346906715 /nfs/dbraw/zinc/90/67/15/346906715.db2.gz GXJHPUXHSTZEDD-LBPRGKRZSA-N -1 1 272.304 2.668 20 0 CFADMM CN(Cc1cn[nH]c1)C(=O)c1cc2ccccc2cc1[O-] ZINC000070230262 346909222 /nfs/dbraw/zinc/90/92/22/346909222.db2.gz FZHAIWUHRAECGE-UHFFFAOYSA-N -1 1 281.315 2.541 20 0 CFADMM O=C([N-]O[C@@H]1CCCCO1)Nc1nc2ccsc2s1 ZINC000274762028 295703124 /nfs/dbraw/zinc/70/31/24/295703124.db2.gz DWBSAFGQDXRBMQ-MRVPVSSYSA-N -1 1 299.377 2.938 20 0 CFADMM CCc1nc(CNCc2ccccc2)ccc1C(=O)[O-] ZINC000426639522 529740266 /nfs/dbraw/zinc/74/02/66/529740266.db2.gz XAZFXODLATWUSR-UHFFFAOYSA-N -1 1 270.332 2.632 20 0 CFADMM CCc1ncsc1NC(=O)c1ccc(OC)cc1[O-] ZINC000157194681 529764398 /nfs/dbraw/zinc/76/43/98/529764398.db2.gz JSLVQGBZQDCDPX-UHFFFAOYSA-N -1 1 278.333 2.672 20 0 CFADMM O=C([N-][C@H]1CCOC2(CCCCC2)C1)C(F)(F)F ZINC000366401333 303975253 /nfs/dbraw/zinc/97/52/53/303975253.db2.gz JFBXQNIVSUXCLX-VIFPVBQESA-N -1 1 265.275 2.547 20 0 CFADMM O=C(Cc1ccc(F)c(F)c1)Nc1c([O-])cccc1F ZINC000088378501 539378307 /nfs/dbraw/zinc/37/83/07/539378307.db2.gz YVFDGBUGMRGUCD-UHFFFAOYSA-N -1 1 281.233 2.991 20 0 CFADMM O=S(=O)([N-]CC(F)F)c1cccc(Cl)c1Cl ZINC000074969730 347045638 /nfs/dbraw/zinc/04/56/38/347045638.db2.gz GBDKWODTLDVQDE-UHFFFAOYSA-N -1 1 290.118 2.537 20 0 CFADMM C[C@]1(C(=O)[O-])CCCN1Cc1cc(-c2ccccc2)no1 ZINC000079489995 539425768 /nfs/dbraw/zinc/42/57/68/539425768.db2.gz RUFOMHMKNJYBTE-MRXNPFEDSA-N -1 1 286.331 2.781 20 0 CFADMM C[C@@H]1CCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000016484645 232172946 /nfs/dbraw/zinc/17/29/46/232172946.db2.gz JPTCQHIAXBEHHW-SECBINFHSA-N -1 1 263.366 2.771 20 0 CFADMM COCCN(CC(C)C)C(=O)c1ccc(Cl)cc1[O-] ZINC000055468438 232176329 /nfs/dbraw/zinc/17/63/29/232176329.db2.gz HFXHXVBJMZHBRP-UHFFFAOYSA-N -1 1 285.771 2.790 20 0 CFADMM COC1(c2noc(-c3cc(F)ccc3[O-])n2)CCC1 ZINC000169243620 232262803 /nfs/dbraw/zinc/26/28/03/232262803.db2.gz ZYMNCDBFQDKSOO-UHFFFAOYSA-N -1 1 264.256 2.607 20 0 CFADMM O=C(c1ccc([O-])cc1F)N(Cc1ccncc1)C1CC1 ZINC000181168695 232402563 /nfs/dbraw/zinc/40/25/63/232402563.db2.gz LUYRBNMFEBXSAA-UHFFFAOYSA-N -1 1 286.306 2.731 20 0 CFADMM Cc1nnc([N-]C(=O)c2cc(F)c(F)c(F)c2F)s1 ZINC000028701313 346276843 /nfs/dbraw/zinc/27/68/43/346276843.db2.gz KLUIRUCTPIGFMH-UHFFFAOYSA-N -1 1 291.229 2.655 20 0 CFADMM CC(C)OCCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000036618314 346323633 /nfs/dbraw/zinc/32/36/33/346323633.db2.gz HJMGAAACNQHZPY-UHFFFAOYSA-N -1 1 271.744 2.591 20 0 CFADMM O=C(Nc1cnoc1)c1ccc2ccccc2c1[O-] ZINC000060393498 346664423 /nfs/dbraw/zinc/66/44/23/346664423.db2.gz KEEUPAIQSVNUTR-UHFFFAOYSA-N -1 1 254.245 2.786 20 0 CFADMM O=C(NCCc1cccc(O)c1)c1cc(Cl)ccc1[O-] ZINC000063866184 346712818 /nfs/dbraw/zinc/71/28/18/346712818.db2.gz RPGZUSOUQRVEJI-UHFFFAOYSA-N -1 1 291.734 2.724 20 0 CFADMM C[C@]1(C(=O)[O-])CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000062876978 346692261 /nfs/dbraw/zinc/69/22/61/346692261.db2.gz QSQIJMLXLCQWNE-HNNXBMFYSA-N -1 1 290.319 2.621 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N(CCCO)C1CC1 ZINC000404321770 539556248 /nfs/dbraw/zinc/55/62/48/539556248.db2.gz NEBDSTXGRWZVSP-UHFFFAOYSA-N -1 1 285.343 2.532 20 0 CFADMM C[S@](=O)c1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000080031463 347338043 /nfs/dbraw/zinc/33/80/43/347338043.db2.gz PEYKQIMUBROOIX-HXUWFJFHSA-N -1 1 293.319 2.521 20 0 CFADMM COc1ccc(C(=O)Nc2sc(C)nc2C)c([O-])c1 ZINC000081564926 347427128 /nfs/dbraw/zinc/42/71/28/347427128.db2.gz YMSJKZIEVFUDRD-UHFFFAOYSA-N -1 1 278.333 2.726 20 0 CFADMM CC(C)[C@H](O)CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000081796036 347436693 /nfs/dbraw/zinc/43/66/93/347436693.db2.gz DAVZNWIECHBBTB-OAHLLOKOSA-N -1 1 287.359 2.682 20 0 CFADMM CN(C)c1cccc(CNC(=O)c2cc(F)ccc2[O-])c1 ZINC000081958306 347440368 /nfs/dbraw/zinc/44/03/68/347440368.db2.gz CKZYLMSOAXAIAR-UHFFFAOYSA-N -1 1 288.322 2.527 20 0 CFADMM O=C([O-])c1ccoc1CN1CCC(C(F)(F)F)CC1 ZINC000088422857 347502968 /nfs/dbraw/zinc/50/29/68/347502968.db2.gz KMXQLFPLTLDSES-UHFFFAOYSA-N -1 1 277.242 2.752 20 0 CFADMM Cc1cccc([C@H]2CCCCCN2Cc2n[nH]c(=O)[n-]2)c1 ZINC000091579089 347593021 /nfs/dbraw/zinc/59/30/21/347593021.db2.gz OAVBLICDQMEYLB-CQSZACIVSA-N -1 1 286.379 2.524 20 0 CFADMM C[C@@]1(CO)CCC[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000092602340 347633847 /nfs/dbraw/zinc/63/38/47/347633847.db2.gz CZVQLWYWYVNUMY-YJBOKZPZSA-N -1 1 299.370 2.826 20 0 CFADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1coc(-c2cccs2)n1 ZINC000092925895 347652246 /nfs/dbraw/zinc/65/22/46/347652246.db2.gz LDRZTUJGKSVBQX-MWLCHTKSSA-N -1 1 292.360 2.698 20 0 CFADMM CC1(C)CCN1C(=O)c1ccc(Br)cc1[O-] ZINC000094167441 347693931 /nfs/dbraw/zinc/69/39/31/347693931.db2.gz FVOCQPYYSHRVDX-UHFFFAOYSA-N -1 1 284.153 2.779 20 0 CFADMM C[C@@H](CN(C)Cc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000094969307 347697619 /nfs/dbraw/zinc/69/76/19/347697619.db2.gz ZPASLYRLSQLCOU-VIFPVBQESA-N -1 1 270.398 2.593 20 0 CFADMM C[C@H](c1ccccn1)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000124645999 347825745 /nfs/dbraw/zinc/82/57/45/347825745.db2.gz TVTDOACULJMAHQ-GFCCVEGCSA-N -1 1 282.343 2.899 20 0 CFADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2c(F)cccc2F)C1 ZINC000150077076 347955019 /nfs/dbraw/zinc/95/50/19/347955019.db2.gz OICNSMMNXCAWEA-UWVGGRQHSA-N -1 1 269.291 2.507 20 0 CFADMM C[C@H](c1ccc2ccccc2c1)N1CCO[C@H](C(=O)[O-])C1 ZINC000086806078 179338268 /nfs/dbraw/zinc/33/82/68/179338268.db2.gz OONZMMNYNDKUPL-WBMJQRKESA-N -1 1 285.343 2.686 20 0 CFADMM CC[C@H](CSC)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000167733013 348046172 /nfs/dbraw/zinc/04/61/72/348046172.db2.gz BGJVNVISNBPCEU-SECBINFHSA-N -1 1 257.355 2.551 20 0 CFADMM CC[C@H](CSC)[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000167731117 348046387 /nfs/dbraw/zinc/04/63/87/348046387.db2.gz NRVDURKZSSNYGO-SNVBAGLBSA-N -1 1 271.382 2.860 20 0 CFADMM CCOC(=O)CC(C)(C)CC(=O)Nc1c([O-])cccc1F ZINC000588369121 348787226 /nfs/dbraw/zinc/78/72/26/348787226.db2.gz JPUZTYJWBWWBDJ-UHFFFAOYSA-N -1 1 297.326 2.839 20 0 CFADMM CCCC[C@@H](Sc1nc(CC)c(C)c(=O)[n-]1)C(=O)OC ZINC000564739588 290229024 /nfs/dbraw/zinc/22/90/24/290229024.db2.gz KEHGPBDRNXKPIL-LLVKDONJSA-N -1 1 298.408 2.877 20 0 CFADMM CCOC(=O)c1nc(C)[nH]c1NC(=O)CCCC(C)C ZINC000590983410 348976332 /nfs/dbraw/zinc/97/63/32/348976332.db2.gz SAKXGHWWALMXFE-UHFFFAOYSA-N -1 1 281.356 2.660 20 0 CFADMM COC1([C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])CCC1 ZINC000413968916 233144472 /nfs/dbraw/zinc/14/44/72/233144472.db2.gz CQFVCHHBEBCYLW-SECBINFHSA-N -1 1 283.755 2.733 20 0 CFADMM Cc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cn1 ZINC000591727132 349040521 /nfs/dbraw/zinc/04/05/21/349040521.db2.gz ZFYWBIXKYOLYDH-UHFFFAOYSA-N -1 1 255.252 2.845 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)C[C@H]2CCCC[C@@H]2C)[n-]1 ZINC000591303329 349007051 /nfs/dbraw/zinc/00/70/51/349007051.db2.gz UGENRTCLJQTNSD-WDEREUQCSA-N -1 1 293.367 2.741 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)C[C@H]2CCCC[C@@H]2C)n1 ZINC000591303329 349007055 /nfs/dbraw/zinc/00/70/55/349007055.db2.gz UGENRTCLJQTNSD-WDEREUQCSA-N -1 1 293.367 2.741 20 0 CFADMM CCn1nccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000131883374 539770379 /nfs/dbraw/zinc/77/03/79/539770379.db2.gz FRVUKFJEZYBZOZ-UHFFFAOYSA-N -1 1 265.700 2.514 20 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20 0 CFADMM Cc1csc(N(C)C(=O)c2cc(-c3ccco3)n[nH]2)n1 ZINC000109287809 186247173 /nfs/dbraw/zinc/24/71/73/186247173.db2.gz JXTSIBYLWLYXHD-UHFFFAOYSA-N -1 1 288.332 2.711 20 0 CFADMM CCOC(=O)c1cc(-c2nc(C3CC3)cs2)[n-]n1 ZINC000600793602 350613457 /nfs/dbraw/zinc/61/34/57/350613457.db2.gz QEYQZKPFVFCDPY-UHFFFAOYSA-N -1 1 263.322 2.587 20 0 CFADMM Cc1ccc2cc(C(=O)Nc3ccncc3[O-])[nH]c2c1 ZINC000109889547 186277870 /nfs/dbraw/zinc/27/78/70/186277870.db2.gz DGLQNXVAVWIEKK-UHFFFAOYSA-N -1 1 267.288 2.829 20 0 CFADMM CCOc1ccc(NC(=O)c2cncc([O-])c2)cc1F ZINC000109955098 186280819 /nfs/dbraw/zinc/28/08/19/186280819.db2.gz FGSIQWJHKOYOSS-UHFFFAOYSA-N -1 1 276.267 2.577 20 0 CFADMM CC(C)(CNC(=O)c1cncc([O-])c1)c1ccccc1F ZINC000109961508 186281076 /nfs/dbraw/zinc/28/10/76/186281076.db2.gz TWOGARYDGFBAIS-UHFFFAOYSA-N -1 1 288.322 2.634 20 0 CFADMM CCOC(=O)[C@@H](CC)Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000601086713 350664558 /nfs/dbraw/zinc/66/45/58/350664558.db2.gz BFPXMWWNSZENIN-SNVBAGLBSA-N -1 1 296.392 2.802 20 0 CFADMM CCOC(=O)c1ccc(-n2[n-]c(C)c(CC)c2=O)cc1C ZINC000601948923 350816187 /nfs/dbraw/zinc/81/61/87/350816187.db2.gz GAVPXGYJRBZGAJ-ZDUSSCGKSA-N -1 1 288.347 2.920 20 0 CFADMM CCCc1cc(=O)n(-c2cccc(C(=O)OC)c2C)[n-]1 ZINC000601950563 350817170 /nfs/dbraw/zinc/81/71/70/350817170.db2.gz SRXDXBOJXHLOIG-UHFFFAOYSA-N -1 1 274.320 2.674 20 0 CFADMM O=C(Nc1cccc(N2CCCC2)c1)c1cncc([O-])c1 ZINC000111775375 186456617 /nfs/dbraw/zinc/45/66/17/186456617.db2.gz QGUIKVUZRYYHNN-UHFFFAOYSA-N -1 1 283.331 2.640 20 0 CFADMM CC(C)c1cc(C(=O)Nc2c([O-])cccc2F)n[nH]1 ZINC000605436058 351246080 /nfs/dbraw/zinc/24/60/80/351246080.db2.gz JVLULEQSMYJYOU-UHFFFAOYSA-N -1 1 263.272 2.630 20 0 CFADMM C[C@@H](C(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1ccco1 ZINC000608354441 351423798 /nfs/dbraw/zinc/42/37/98/351423798.db2.gz IPBHKOIQTUYDPI-SECBINFHSA-N -1 1 287.344 2.895 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1cc(Br)c[nH]1 ZINC000608365780 351426061 /nfs/dbraw/zinc/42/60/61/351426061.db2.gz BHVDEWZDCDDBDD-UHFFFAOYSA-N -1 1 299.099 2.874 20 0 CFADMM COc1ccc(C(=O)Nc2c([O-])cccc2F)c(F)c1 ZINC000608365954 351426194 /nfs/dbraw/zinc/42/61/94/351426194.db2.gz MDWVJIOQHCJGCP-UHFFFAOYSA-N -1 1 279.242 2.931 20 0 CFADMM COC(=O)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000609851112 351523212 /nfs/dbraw/zinc/52/32/12/351523212.db2.gz BPRIGDBTBFDNDK-UHFFFAOYSA-N -1 1 289.262 2.570 20 0 CFADMM O=C(CSC[C@@H]1CCCCO1)Nc1c([O-])cccc1F ZINC000610339781 351554795 /nfs/dbraw/zinc/55/47/95/351554795.db2.gz OORNWXKXCZNDNY-JTQLQIEISA-N -1 1 299.367 2.772 20 0 CFADMM CC(C)c1nnc(CSc2nc(C3CC3)cc(=O)[n-]2)[nH]1 ZINC000291721980 198070377 /nfs/dbraw/zinc/07/03/77/198070377.db2.gz WURIBAPNHMKERO-UHFFFAOYSA-N -1 1 291.380 2.593 20 0 CFADMM C[C@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C[C@H]1F ZINC000613309585 351937555 /nfs/dbraw/zinc/93/75/55/351937555.db2.gz DBTIUVPDQKYUEC-GXFFZTMASA-N -1 1 288.322 2.761 20 0 CFADMM CSCC[C@H](C)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000613509628 351972991 /nfs/dbraw/zinc/97/29/91/351972991.db2.gz YEAVATDDKFVBRT-VIFPVBQESA-N -1 1 271.357 2.745 20 0 CFADMM CCc1c(C)[n-]n(-c2cccc3ncccc32)c1=O ZINC000614187149 352058767 /nfs/dbraw/zinc/05/87/67/352058767.db2.gz RHJBAXGAZXIWCP-LLVKDONJSA-N -1 1 253.305 2.984 20 0 CFADMM CCc1c(C)[n-]n(-c2ncccc2C(F)(F)F)c1=O ZINC000614187217 352058807 /nfs/dbraw/zinc/05/88/07/352058807.db2.gz XBNGTACNVNLGPH-MRVPVSSYSA-N -1 1 271.242 2.849 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C1CC(c2ccc(F)cc2)C1 ZINC000615216752 352167738 /nfs/dbraw/zinc/16/77/38/352167738.db2.gz DOECGJLSEMTWQR-UHFFFAOYSA-N -1 1 289.310 2.695 20 0 CFADMM CCC(CC)n1nc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1C ZINC000615219725 352168262 /nfs/dbraw/zinc/16/82/62/352168262.db2.gz BQIMTVQZMZHVLZ-UHFFFAOYSA-N -1 1 291.355 2.542 20 0 CFADMM CCC[C@H]1CCC[C@@H]1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000615219084 352168308 /nfs/dbraw/zinc/16/83/08/352168308.db2.gz PJTNRHHQNULMFF-UWVGGRQHSA-N -1 1 251.330 2.579 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000615223135 352169520 /nfs/dbraw/zinc/16/95/20/352169520.db2.gz ZRTPMKZARYISEN-RNFRBKRXSA-N -1 1 297.767 2.881 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@]1(c2ccccc2)CC1(C)C ZINC000615225765 352170085 /nfs/dbraw/zinc/17/00/85/352170085.db2.gz GDBHUGWZIASIIC-MRXNPFEDSA-N -1 1 285.347 2.730 20 0 CFADMM CCC1(C(=O)Nc2c(C)[n-][nH]c2=O)CCC(F)(F)CC1 ZINC000615229789 352170598 /nfs/dbraw/zinc/17/05/98/352170598.db2.gz WYPLIBCMCUOCSY-UHFFFAOYSA-N -1 1 287.310 2.968 20 0 CFADMM CC(C)=C[C@H]1[C@H](C(=O)Nc2c(C)[n-][nH]c2=O)C1(C)C ZINC000615227908 352170906 /nfs/dbraw/zinc/17/09/06/352170906.db2.gz SMMMWUNFFLQAEP-VHSXEESVSA-N -1 1 263.341 2.601 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000615227290 352171057 /nfs/dbraw/zinc/17/10/57/352171057.db2.gz GFDLHFNZLLIMCE-HAQNSBGRSA-N -1 1 277.368 2.969 20 0 CFADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1 ZINC000134611329 539839528 /nfs/dbraw/zinc/83/95/28/539839528.db2.gz JXRAIQKQMGVUAT-UHFFFAOYSA-N -1 1 295.385 2.915 20 0 CFADMM C[C@H]1CCC(C)(C)N1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000616165461 352294054 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ZINC000049002783 373248929 /nfs/dbraw/zinc/24/89/29/373248929.db2.gz DXWVBWFDACVZCC-UHFFFAOYSA-N -1 1 296.120 2.678 20 0 CFADMM O=C(N[C@H]1CCCC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000051990728 373422268 /nfs/dbraw/zinc/42/22/68/373422268.db2.gz YWPXWYGMQPXEFT-LSDHHAIUSA-N -1 1 285.343 2.579 20 0 CFADMM COCCCN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000059415775 373680657 /nfs/dbraw/zinc/68/06/57/373680657.db2.gz SAMUBAMBNGVTOQ-UHFFFAOYSA-N -1 1 273.332 2.654 20 0 CFADMM Cc1oc(-c2cccs2)nc1CN1CC[C@@H](C(=O)[O-])C1 ZINC000062134039 373753064 /nfs/dbraw/zinc/75/30/64/373753064.db2.gz ASLFHYWOJCVFMJ-SNVBAGLBSA-N -1 1 292.360 2.618 20 0 CFADMM O=C(NCCC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000063101317 373786373 /nfs/dbraw/zinc/78/63/73/373786373.db2.gz FCBRSCCJNBRPGT-UHFFFAOYSA-N -1 1 267.634 2.728 20 0 CFADMM O=C(NCCOC1CCCC1)c1ccc(Cl)cc1[O-] ZINC000070167673 374134046 /nfs/dbraw/zinc/13/40/46/374134046.db2.gz MEDPJOPAWFWATD-UHFFFAOYSA-N -1 1 283.755 2.735 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCCSCC1 ZINC000042444818 296209624 /nfs/dbraw/zinc/20/96/24/296209624.db2.gz MYIWXYVWHBPMKJ-UHFFFAOYSA-N -1 1 271.769 2.625 20 0 CFADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H]1C ZINC000075412088 374480336 /nfs/dbraw/zinc/48/03/36/374480336.db2.gz QFOHZVXGAUNREQ-RKDXNWHRSA-N -1 1 253.729 2.774 20 0 CFADMM O=C(/C=C\C1CCOCC1)Nc1ccc([O-])c(Cl)c1 ZINC000492409420 246283176 /nfs/dbraw/zinc/28/31/76/246283176.db2.gz VJBBOOCZGWFZCP-RJRFIUFISA-N -1 1 281.739 2.967 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CC2(CCC2)[C@H]1C1CC1 ZINC000291228397 296221979 /nfs/dbraw/zinc/22/19/79/296221979.db2.gz WQXZQGZEFQEXSD-CQSZACIVSA-N -1 1 275.323 2.936 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCCC[C@H]1c1ncc[nH]1 ZINC000181194876 296222055 /nfs/dbraw/zinc/22/20/55/296222055.db2.gz VKZGELQCBGKKJZ-ZDUSSCGKSA-N -1 1 289.310 2.622 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000181194859 296222092 /nfs/dbraw/zinc/22/20/92/296222092.db2.gz VKZGELQCBGKKJZ-CYBMUJFWSA-N -1 1 289.310 2.622 20 0 CFADMM C[C@H](c1c(F)cccc1F)N1CCC[C@H](C(=O)[O-])C1 ZINC000086728866 374806421 /nfs/dbraw/zinc/80/64/21/374806421.db2.gz DADLXFJGADKHNX-ZJUUUORDSA-N -1 1 269.291 2.822 20 0 CFADMM CSCCCN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000302317409 270286264 /nfs/dbraw/zinc/28/62/64/270286264.db2.gz HHSTVNXDRRNBQG-UHFFFAOYSA-N -1 1 273.785 2.871 20 0 CFADMM CCS[C@H]1CCC[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000092226735 375097208 /nfs/dbraw/zinc/09/72/08/375097208.db2.gz JMBQTYCQPXNTNA-YPMHNXCESA-N -1 1 283.368 2.935 20 0 CFADMM CCO[C@H]1C[C@H](N(C)C(=O)c2cc(F)ccc2[O-])C1(C)C ZINC000091730988 375060109 /nfs/dbraw/zinc/06/01/09/375060109.db2.gz HSCXFIBHFQKWSN-KBPBESRZSA-N -1 1 295.354 2.807 20 0 CFADMM CN(CCCC(=O)[O-])Cc1nc(C(C)(C)C)cs1 ZINC000094969309 375400312 /nfs/dbraw/zinc/40/03/12/375400312.db2.gz UVRUTMXBJJFZBZ-UHFFFAOYSA-N -1 1 270.398 2.737 20 0 CFADMM CCC1(O)CCC(NC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000678576194 542043749 /nfs/dbraw/zinc/04/37/49/542043749.db2.gz NWSWLRCYGBSVBH-UHFFFAOYSA-N -1 1 297.782 2.859 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1c1cccs1 ZINC000104422421 375783108 /nfs/dbraw/zinc/78/31/08/375783108.db2.gz CRDFBMJROZDYSG-GFCCVEGCSA-N -1 1 274.345 2.826 20 0 CFADMM O=C(Nc1ccc(Cl)cc1F)c1cncc([O-])c1 ZINC000104413944 375783354 /nfs/dbraw/zinc/78/33/54/375783354.db2.gz AOXVXAOOBXSHPD-UHFFFAOYSA-N -1 1 266.659 2.832 20 0 CFADMM O=C([N-]c1cnoc1)c1cnc(Oc2ccccc2)cn1 ZINC000678618640 542055653 /nfs/dbraw/zinc/05/56/53/542055653.db2.gz YUTQUEDRUGSLQZ-UHFFFAOYSA-N -1 1 282.259 2.509 20 0 CFADMM O=C(Nc1nnn[n-]1)c1cc(-c2ccccc2)ccc1Cl ZINC000111569242 375854460 /nfs/dbraw/zinc/85/44/60/375854460.db2.gz KUCZARDBCWMZLN-UHFFFAOYSA-N -1 1 299.721 2.772 20 0 CFADMM O=C(Nc1nn[n-]n1)c1cc(-c2ccccc2)ccc1Cl ZINC000111569242 375854466 /nfs/dbraw/zinc/85/44/66/375854466.db2.gz KUCZARDBCWMZLN-UHFFFAOYSA-N -1 1 299.721 2.772 20 0 CFADMM Cc1cc(C)cc([C@@H](C)NC(=O)c2cncc([O-])c2)c1 ZINC000111616126 375857799 /nfs/dbraw/zinc/85/77/99/375857799.db2.gz KIPKIYOQACAMDH-GFCCVEGCSA-N -1 1 270.332 2.895 20 0 CFADMM COCc1ccccc1[N-]S(=O)(=O)c1ccccc1C ZINC000112334821 375905026 /nfs/dbraw/zinc/90/50/26/375905026.db2.gz MUCRIZHUKJPWDD-UHFFFAOYSA-N -1 1 291.372 2.942 20 0 CFADMM O=C(Nc1ccc(OC(F)F)cc1)c1cncc([O-])c1 ZINC000111771641 375868833 /nfs/dbraw/zinc/86/88/33/375868833.db2.gz JXUMSZIUWJOUSV-UHFFFAOYSA-N -1 1 280.230 2.641 20 0 CFADMM C[C@H](NC(=O)c1cncc([O-])c1)c1ccc(F)c(F)c1 ZINC000111776190 375869066 /nfs/dbraw/zinc/86/90/66/375869066.db2.gz JFDPRDXJKIJSDQ-QMMMGPOBSA-N -1 1 278.258 2.556 20 0 CFADMM CC(C)(CNC(=O)c1cncc([O-])c1)c1cccc(F)c1 ZINC000118522858 376301395 /nfs/dbraw/zinc/30/13/95/376301395.db2.gz ZOCLLISSABIUSJ-UHFFFAOYSA-N -1 1 288.322 2.634 20 0 CFADMM COCCC[C@H](C)C(=O)Nc1c([O-])cccc1F ZINC000679239356 542143183 /nfs/dbraw/zinc/14/31/83/542143183.db2.gz IYWUWXIELPCRCU-VIFPVBQESA-N -1 1 255.289 2.533 20 0 CFADMM C[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H]1F ZINC000679247887 542145537 /nfs/dbraw/zinc/14/55/37/542145537.db2.gz HWARZMMASZKVTN-KWQFWETISA-N -1 1 271.719 2.866 20 0 CFADMM Cc1cccnc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000122444125 376930367 /nfs/dbraw/zinc/93/03/67/376930367.db2.gz VVZHVDPEKUZAHC-UHFFFAOYSA-N -1 1 270.332 2.720 20 0 CFADMM O=C(NC1(C2CC2)CC1)c1ccc(Br)c([O-])c1 ZINC000679409359 542189205 /nfs/dbraw/zinc/18/92/05/542189205.db2.gz BUBPKVYMQWWRHO-UHFFFAOYSA-N -1 1 296.164 2.827 20 0 CFADMM CC[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000130777280 377610250 /nfs/dbraw/zinc/61/02/50/377610250.db2.gz ICZYRLJSOMHQLF-VIFPVBQESA-N -1 1 253.729 2.918 20 0 CFADMM O=C(NCCC[C@H]1CCCCO1)c1c([O-])cccc1F ZINC000131979913 377788061 /nfs/dbraw/zinc/78/80/61/377788061.db2.gz NRYKGAKEZOWQHZ-LLVKDONJSA-N -1 1 281.327 2.610 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000132851254 377881864 /nfs/dbraw/zinc/88/18/64/377881864.db2.gz HZUMIYPHDYXCFK-WCQYABFASA-N -1 1 291.322 2.505 20 0 CFADMM O=C(NCCC[C@@H]1CCCC[C@H]1O)c1cc(F)ccc1[O-] ZINC000134428972 378012752 /nfs/dbraw/zinc/01/27/52/378012752.db2.gz DFWKNDGMMJTEJU-SMDDNHRTSA-N -1 1 295.354 2.592 20 0 CFADMM CCOCCC1(CNC(=O)c2cc(F)ccc2[O-])CCC1 ZINC000150984716 378284978 /nfs/dbraw/zinc/28/49/78/378284978.db2.gz ZJOGKOJMSGJIIG-UHFFFAOYSA-N -1 1 295.354 2.858 20 0 CFADMM CC1(C)C[C@H](NC(=O)c2ccc(Cl)cc2[O-])CCO1 ZINC000148576721 378258242 /nfs/dbraw/zinc/25/82/42/378258242.db2.gz QRIGBVKAWMUPIU-SNVBAGLBSA-N -1 1 283.755 2.733 20 0 CFADMM C[C@H]1C[C@@H]1c1cc(NC(=O)c2ccc([O-])cc2F)n[nH]1 ZINC000162825715 542238035 /nfs/dbraw/zinc/23/80/35/542238035.db2.gz LHINTVUXCAXTEB-XVKPBYJWSA-N -1 1 275.283 2.630 20 0 CFADMM COC(C)(C)CS(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000331258771 378659587 /nfs/dbraw/zinc/65/95/87/378659587.db2.gz GGBZIJIYYFXGBJ-UHFFFAOYSA-N -1 1 295.763 2.646 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@@](C)(c3ccccc3)C2)c([O-])c1 ZINC000331198602 378648910 /nfs/dbraw/zinc/64/89/10/378648910.db2.gz MHPLALBRLWUTFS-GOSISDBHSA-N -1 1 296.370 2.899 20 0 CFADMM Cc1cc(NC(=O)c2ccc(C(C)C)cc2[O-])n(C)n1 ZINC000331226736 378651637 /nfs/dbraw/zinc/65/16/37/378651637.db2.gz CWRLUFKSBKOSDT-UHFFFAOYSA-N -1 1 273.336 2.810 20 0 CFADMM O=C(Cc1c(F)cccc1F)[N-]OCCC(F)(F)F ZINC000162887501 378940822 /nfs/dbraw/zinc/94/08/22/378940822.db2.gz PROCNKASPWEHGD-UHFFFAOYSA-N -1 1 283.196 2.508 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@](O)(C2CC2)C1 ZINC000334199449 378914344 /nfs/dbraw/zinc/91/43/44/378914344.db2.gz MKQXBBIIZJLJMR-GOSISDBHSA-N -1 1 297.354 2.532 20 0 CFADMM CSCC[C@H](C)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000162933759 378944696 /nfs/dbraw/zinc/94/46/96/378944696.db2.gz JBDZRBHJYSOQBG-VIFPVBQESA-N -1 1 271.357 2.745 20 0 CFADMM CC(C)[C@@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)N(C)C ZINC000163635409 378984235 /nfs/dbraw/zinc/98/42/35/378984235.db2.gz CAYFGBSDJNESFG-LBPRGKRZSA-N -1 1 293.392 2.641 20 0 CFADMM COc1cc(C(=O)N(C)[C@H]2CC2(C)C)cc(Cl)c1[O-] ZINC000335289870 379032161 /nfs/dbraw/zinc/03/21/61/379032161.db2.gz NPYCOTUNSQMROX-NSHDSACASA-N -1 1 283.755 2.925 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](C2CC2)C1 ZINC000334297536 379051770 /nfs/dbraw/zinc/05/17/70/379051770.db2.gz MXZZYJMRNUFQNH-JTQLQIEISA-N -1 1 265.740 2.918 20 0 CFADMM CCC1(CC)CN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000334323426 379093896 /nfs/dbraw/zinc/09/38/96/379093896.db2.gz JNZCKBIUGAFTPU-UHFFFAOYSA-N -1 1 284.359 2.790 20 0 CFADMM C[C@@H]1[C@H](CO)CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000335378756 379190680 /nfs/dbraw/zinc/19/06/80/379190680.db2.gz NOUCRDGYCWDKPD-OCCSQVGLSA-N -1 1 299.370 2.778 20 0 CFADMM Cc1cccc(CNC(=O)c2cc(Cl)ccc2[O-])n1 ZINC000048481855 412908664 /nfs/dbraw/zinc/90/86/64/412908664.db2.gz AHDBLUVWEGBEKT-UHFFFAOYSA-N -1 1 276.723 2.679 20 0 CFADMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000171080157 379225704 /nfs/dbraw/zinc/22/57/04/379225704.db2.gz NQNXJTDJCDPNSI-RKDXNWHRSA-N -1 1 277.336 2.678 20 0 CFADMM CCc1nnc(CSc2nc(C)c(C)c(=O)[n-]2)s1 ZINC000680025889 542267399 /nfs/dbraw/zinc/26/73/99/542267399.db2.gz UPGRJWVIGLJJLK-UHFFFAOYSA-N -1 1 282.394 2.505 20 0 CFADMM O=C(NC[C@H]1CCCC1(F)F)c1ccc([O-])cc1F ZINC000335416550 379254531 /nfs/dbraw/zinc/25/45/31/379254531.db2.gz VZFSZZLCWBDRLB-MRVPVSSYSA-N -1 1 273.254 2.697 20 0 CFADMM C[C@H]1CCN(Cc2ccc(F)cc2F)C[C@@H]1C(=O)[O-] ZINC000335422695 379268507 /nfs/dbraw/zinc/26/85/07/379268507.db2.gz HZAVGXBZMFLOMZ-CABZTGNLSA-N -1 1 269.291 2.507 20 0 CFADMM O=C(c1csc(=NC2CC2)[n-]1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000335517489 379438202 /nfs/dbraw/zinc/43/82/02/379438202.db2.gz JZENCTOZCWRBAR-GWCFXTLKSA-N -1 1 291.420 2.544 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(C2CC2)[nH]n1 ZINC000171881499 379427995 /nfs/dbraw/zinc/42/79/95/379427995.db2.gz RBLSYFTULWCNFU-UHFFFAOYSA-N -1 1 277.711 2.898 20 0 CFADMM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1ccc(F)cc1F ZINC000334595873 379597166 /nfs/dbraw/zinc/59/71/66/379597166.db2.gz GSSMXZYNAQKDIL-BXKDBHETSA-N -1 1 269.291 2.650 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCOCC2(CCC2)C1 ZINC000334603729 379607270 /nfs/dbraw/zinc/60/72/70/379607270.db2.gz VNJXXSAMJIWGHN-UHFFFAOYSA-N -1 1 295.766 2.688 20 0 CFADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(C)sc2C)c1C ZINC000335726360 379791650 /nfs/dbraw/zinc/79/16/50/379791650.db2.gz XUPNDMBOWWKQPG-UHFFFAOYSA-N -1 1 299.421 2.760 20 0 CFADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cncc([O-])c1 ZINC000173645010 379760410 /nfs/dbraw/zinc/76/04/10/379760410.db2.gz JXEDILZRRCXVNI-SUNKGSAMSA-N -1 1 260.337 2.580 20 0 CFADMM O=S(=O)([N-]C1(C(F)(F)F)CCC1)c1cccc(F)c1 ZINC000335710084 379763406 /nfs/dbraw/zinc/76/34/06/379763406.db2.gz CCMCOUPFUYJFDF-UHFFFAOYSA-N -1 1 297.273 2.589 20 0 CFADMM Cc1cnc(C(=O)N(C)Cc2ccc(F)cc2)c([O-])c1 ZINC000335723113 379784895 /nfs/dbraw/zinc/78/48/95/379784895.db2.gz DFVOHPFEFPZSIF-UHFFFAOYSA-N -1 1 274.295 2.507 20 0 CFADMM C[C@@H]1CC[C@@]2(CCN(C(=O)C(=O)c3ccc([O-])cc3)C2)C1 ZINC000335791723 379895368 /nfs/dbraw/zinc/89/53/68/379895368.db2.gz BSVTVYDCIYLEGR-SJKOYZFVSA-N -1 1 287.359 2.614 20 0 CFADMM COc1cc(C(=O)N2CC[C@@](C)(F)C2)cc(Cl)c1[O-] ZINC000335834404 379966324 /nfs/dbraw/zinc/96/63/24/379966324.db2.gz NWFDFGDPXCOWJR-CYBMUJFWSA-N -1 1 287.718 2.628 20 0 CFADMM C[C@H]([N-]S(=O)(=O)c1ccccc1Cl)C(F)(F)F ZINC000288260125 197038077 /nfs/dbraw/zinc/03/80/77/197038077.db2.gz CIOCGWZDLKWLAN-LURJTMIESA-N -1 1 287.690 2.569 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@@H](CC(C)C)C2)c([O-])c1 ZINC000335912661 380096893 /nfs/dbraw/zinc/09/68/93/380096893.db2.gz MDOUTSRVASKKRC-LBPRGKRZSA-N -1 1 262.353 2.604 20 0 CFADMM CC(=O)c1cc(F)c([N-]C(=O)c2cncs2)c(F)c1 ZINC000335914932 380099492 /nfs/dbraw/zinc/09/94/92/380099492.db2.gz YNDDAQSLCVBYIU-UHFFFAOYSA-N -1 1 282.271 2.876 20 0 CFADMM O=C([O-])C1CCN(Cc2sccc2Cl)CC1 ZINC000335916953 380102789 /nfs/dbraw/zinc/10/27/89/380102789.db2.gz UJBHSGKMPNONMZ-UHFFFAOYSA-N -1 1 259.758 2.698 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@H](c2ccccc2)C1 ZINC000335961617 380164820 /nfs/dbraw/zinc/16/48/20/380164820.db2.gz GFPMEQYQKCEEMF-AWEZNQCLSA-N -1 1 282.343 2.807 20 0 CFADMM C[C@H]1C[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)CCC1=O ZINC000335971327 380178391 /nfs/dbraw/zinc/17/83/91/380178391.db2.gz JTNSFJDZAZBTQD-IUCAKERBSA-N -1 1 281.739 2.989 20 0 CFADMM CCS[C@H]1CCCC[C@H]1NC(=O)c1cncc([O-])c1 ZINC000176218875 380197189 /nfs/dbraw/zinc/19/71/89/380197189.db2.gz MMLZLMIGPMJVEG-OLZOCXBDSA-N -1 1 280.393 2.581 20 0 CFADMM CCS[C@@H]1CCCC[C@H]1NC(=O)c1cncc([O-])c1 ZINC000176218859 380197333 /nfs/dbraw/zinc/19/73/33/380197333.db2.gz MMLZLMIGPMJVEG-CHWSQXEVSA-N -1 1 280.393 2.581 20 0 CFADMM O=C([N-][C@H]1C[C@@H]1c1cccc(F)c1)C(F)(F)C(F)F ZINC000176229235 380199986 /nfs/dbraw/zinc/19/99/86/380199986.db2.gz ZSAFFYYJIKDAAK-BDAKNGLRSA-N -1 1 279.208 2.698 20 0 CFADMM C[C@H]1CC[C@H](CNC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000336003057 380222435 /nfs/dbraw/zinc/22/24/35/380222435.db2.gz ZRYHBRODVSAHBV-IUCAKERBSA-N -1 1 269.291 2.836 20 0 CFADMM O=C(Nc1nc(C2CC2)c[nH]1)c1c(F)ccc([O-])c1F ZINC000336010420 380232918 /nfs/dbraw/zinc/23/29/18/380232918.db2.gz URIGCUXDVWFQLD-UHFFFAOYSA-N -1 1 279.246 2.523 20 0 CFADMM FC(F)(F)c1csc(=N[C@H]2CC23CCOCC3)[n-]1 ZINC000336263886 380300134 /nfs/dbraw/zinc/30/01/34/380300134.db2.gz GPTGYUQXVOPRKP-ZETCQYMHSA-N 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CCc1nocc1CN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000294219117 382464909 /nfs/dbraw/zinc/46/49/09/382464909.db2.gz UGRWKMYFRSFGFW-UHFFFAOYSA-N -1 1 294.738 2.868 20 0 CFADMM Cc1nc(SCC(=O)C2CCCC2)[n-]c(=O)c1C ZINC000346718277 382488898 /nfs/dbraw/zinc/48/88/98/382488898.db2.gz USBVYVUXZHNHPF-UHFFFAOYSA-N -1 1 266.366 2.650 20 0 CFADMM CN(Cc1cccc(C(=O)[O-])c1Cl)[C@H]1CCSC1 ZINC000382130622 382529361 /nfs/dbraw/zinc/52/93/61/382529361.db2.gz MQUBGRXXRYHLRN-JTQLQIEISA-N -1 1 285.796 2.976 20 0 CFADMM Cc1nc(SCC(=O)CCC(C)C)[n-]c(=O)c1C ZINC000346749220 382498229 /nfs/dbraw/zinc/49/82/29/382498229.db2.gz VKUUBNRTTHWMMV-UHFFFAOYSA-N -1 1 268.382 2.896 20 0 CFADMM COCCCN(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000382049473 382527969 /nfs/dbraw/zinc/52/79/69/382527969.db2.gz FLSAXWMSRALJRT-UHFFFAOYSA-N -1 1 271.744 2.507 20 0 CFADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCCCO1 ZINC000379286247 382504971 /nfs/dbraw/zinc/50/49/71/382504971.db2.gz HBGPXRFMHQPWSW-RNCFNFMXSA-N -1 1 283.755 2.733 20 0 CFADMM 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O=c1[n-]c([C@H]2CCCCN2CC2=CCCCC2)n[nH]1 ZINC000450991381 383578839 /nfs/dbraw/zinc/57/88/39/383578839.db2.gz KGFKDOVJJOTRMU-GFCCVEGCSA-N -1 1 262.357 2.538 20 0 CFADMM O=S(=O)([N-][C@@H]1C=CCCC1)c1sccc1Cl ZINC000451324244 383590682 /nfs/dbraw/zinc/59/06/82/383590682.db2.gz XHXAMJRJHBIOSC-MRVPVSSYSA-N -1 1 277.798 2.789 20 0 CFADMM C[C@H](F)CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451577460 383651051 /nfs/dbraw/zinc/65/10/51/383651051.db2.gz AXNPEPKUOZUQTE-QMMMGPOBSA-N -1 1 289.303 2.598 20 0 CFADMM Cc1cc2ccccc2c(NC(=O)CCCc2nn[n-]n2)c1 ZINC000635977582 383676084 /nfs/dbraw/zinc/67/60/84/383676084.db2.gz CQAOMORUASKABL-UHFFFAOYSA-N -1 1 295.346 2.623 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)N1CCCC(F)(F)C1 ZINC000640336826 383765431 /nfs/dbraw/zinc/76/54/31/383765431.db2.gz AVPNYMYIRUUHBS-UHFFFAOYSA-N -1 1 297.330 2.981 20 0 CFADMM C[C@H]1C[C@@H](NC(=O)N=c2[n-]sc3ccccc32)CS1 ZINC000640337154 383765486 /nfs/dbraw/zinc/76/54/86/383765486.db2.gz GMPOUDDZPIYEAD-DTWKUNHWSA-N -1 1 293.417 2.734 20 0 CFADMM C[C@H]1SCC[C@H]1NC(=O)N=c1[n-]sc2ccccc21 ZINC000640338441 383765951 /nfs/dbraw/zinc/76/59/51/383765951.db2.gz XMFVMIRIWRNUOD-PSASIEDQSA-N -1 1 293.417 2.734 20 0 CFADMM CCN(C[C@@H](C)OC)C(=O)N=c1[n-]sc2ccccc21 ZINC000640340065 383765972 /nfs/dbraw/zinc/76/59/72/383765972.db2.gz NDTUQHXFGJGXIH-SNVBAGLBSA-N -1 1 293.392 2.607 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000640338219 383766042 /nfs/dbraw/zinc/76/60/42/383766042.db2.gz SQAXSVRBPQIKFZ-ILWJIGKKSA-N -1 1 273.361 2.638 20 0 CFADMM CC[C@](C)(CNC(=O)N=c1[n-]sc2ccccc21)OC ZINC000640340351 383767080 /nfs/dbraw/zinc/76/70/80/383767080.db2.gz SGBCBFVUJWGXFO-CQSZACIVSA-N -1 1 293.392 2.655 20 0 CFADMM O=S(=O)([N-][C@@H]1CC[C@H]2C[C@H]2C1)c1sccc1Cl ZINC000645872044 383775111 /nfs/dbraw/zinc/77/51/11/383775111.db2.gz FUDZMPGJVGAMHL-XHNCKOQMSA-N -1 1 291.825 2.868 20 0 CFADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2csc(C(C)(C)C)n2)C1 ZINC000263356744 383660009 /nfs/dbraw/zinc/66/00/09/383660009.db2.gz QZYDQUFKEFBWKI-GHMZBOCLSA-N -1 1 296.436 2.983 20 0 CFADMM COCCN(Cc1ccco1)Cc1cccc(C(=O)[O-])c1 ZINC000263502478 383672305 /nfs/dbraw/zinc/67/23/05/383672305.db2.gz VYWKQHDYUFUYNP-UHFFFAOYSA-N -1 1 289.331 2.626 20 0 CFADMM O=S(=O)([N-]CC1=CCCCC1)c1sccc1F ZINC000451635106 383672677 /nfs/dbraw/zinc/67/26/77/383672677.db2.gz UYEQVUKXKPADLF-UHFFFAOYSA-N -1 1 275.370 2.666 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccoc2Cl)c1 ZINC000436501390 383824243 /nfs/dbraw/zinc/82/42/43/383824243.db2.gz CVQWCPPXUUTSSC-UHFFFAOYSA-N -1 1 295.678 2.678 20 0 CFADMM CCN(C(=O)c1csc(=NC2CC2)[n-]1)[C@@H](C)C(C)C ZINC000572445015 383782030 /nfs/dbraw/zinc/78/20/30/383782030.db2.gz PJFNQSULCRBSSA-JTQLQIEISA-N -1 1 281.425 2.646 20 0 CFADMM CCc1cc(=O)[n-]c(SCCc2csc(C)n2)n1 ZINC000436204892 383788017 /nfs/dbraw/zinc/78/80/17/383788017.db2.gz NKBCWDATWFEDNO-UHFFFAOYSA-N -1 1 281.406 2.844 20 0 CFADMM C[C@@]1(C2CCCCC2)CCN1C(=O)c1ncccc1[O-] ZINC000636385986 383788079 /nfs/dbraw/zinc/78/80/79/383788079.db2.gz UOMFHAMIIZFDIK-INIZCTEOSA-N -1 1 274.364 2.972 20 0 CFADMM O=C(NC[C@@H]1CCc2ccccc21)c1cc(F)ccc1[O-] ZINC000436556159 383837047 /nfs/dbraw/zinc/83/70/47/383837047.db2.gz PMUFTYDOZVRZPI-LBPRGKRZSA-N -1 1 285.318 2.991 20 0 CFADMM C[C@]1(CNC(=O)c2cc(Cl)ccc2[O-])CCCC[C@@H]1O ZINC000436569511 383839814 /nfs/dbraw/zinc/83/98/14/383839814.db2.gz FLKIYKBZWTVIIW-DZGCQCFKSA-N -1 1 297.782 2.717 20 0 CFADMM CC(C)CC[C@](C)(O)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000436575633 383841507 /nfs/dbraw/zinc/84/15/07/383841507.db2.gz OOPGVXXBCLWNAO-HNNXBMFYSA-N -1 1 299.798 2.963 20 0 CFADMM CC[C@H](C)[C@@](C)(O)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000436588889 383847433 /nfs/dbraw/zinc/84/74/33/383847433.db2.gz JAAHPYKVWCLKLD-XPTSAGLGSA-N -1 1 285.771 2.573 20 0 CFADMM CO[C@H](C)[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436603427 383852095 /nfs/dbraw/zinc/85/20/95/383852095.db2.gz BEEWMWULMPQKKY-HTQZYQBOSA-N -1 1 291.269 2.564 20 0 CFADMM Cc1c2ccc(NC(=O)c3cc(F)ccc3[O-])cc2nn1C ZINC000436645735 383861791 /nfs/dbraw/zinc/86/17/91/383861791.db2.gz DYPIVWILOULLTI-UHFFFAOYSA-N -1 1 299.305 2.979 20 0 CFADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc2n[nH]cc2c1 ZINC000436695328 383873002 /nfs/dbraw/zinc/87/30/02/383873002.db2.gz DFTRVIZEYUSJNM-SECBINFHSA-N -1 1 299.305 2.899 20 0 CFADMM CCC[C@H](C(=O)NCc1cc(=O)[n-]c(SC)n1)C(C)C ZINC000640656158 383882172 /nfs/dbraw/zinc/88/21/72/383882172.db2.gz NPUJCAWYDMLDOY-NSHDSACASA-N -1 1 297.424 2.593 20 0 CFADMM O=C(Nc1ccc(Cn2cccn2)cc1)c1ccccc1[O-] ZINC000436724526 383882227 /nfs/dbraw/zinc/88/22/27/383882227.db2.gz ZLONFNCTIVAKMY-UHFFFAOYSA-N -1 1 293.326 2.889 20 0 CFADMM Cc1nc2cc(NC(=O)C(=O)c3ccc([O-])cc3)ccc2o1 ZINC000436733228 383885759 /nfs/dbraw/zinc/88/57/59/383885759.db2.gz UPYLLSJZXBGMEJ-UHFFFAOYSA-N -1 1 296.282 2.663 20 0 CFADMM O=C(N[C@H]1CC[C@@H](F)C1)c1ccc(Cl)cc1[O-] ZINC000436742612 383888343 /nfs/dbraw/zinc/88/83/43/383888343.db2.gz FOGPMCQYUXEXAH-BDAKNGLRSA-N -1 1 257.692 2.666 20 0 CFADMM C[C@@H]1C[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436763697 383893560 /nfs/dbraw/zinc/89/35/60/383893560.db2.gz MDLYREJVOFTRDG-HTQZYQBOSA-N -1 1 273.254 2.797 20 0 CFADMM CN(CC[C@@H]1CCCO1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436790534 383894511 /nfs/dbraw/zinc/89/45/11/383894511.db2.gz GRDXZAXEVZTNLB-NSHDSACASA-N -1 1 283.755 2.687 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000646410594 383989022 /nfs/dbraw/zinc/98/90/22/383989022.db2.gz NUTBFNOPKRAKQI-ZJUUUORDSA-N -1 1 291.738 2.819 20 0 CFADMM CC[C@@H](Oc1ccccc1C)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000646409578 383989151 /nfs/dbraw/zinc/98/91/51/383989151.db2.gz MVBJSENZLGKETF-LLVKDONJSA-N -1 1 289.335 2.528 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000646413043 383991040 /nfs/dbraw/zinc/99/10/40/383991040.db2.gz PHVILNLGWQAXSG-UHFFFAOYSA-N -1 1 284.319 2.774 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](c1ccccc1)C(C)C ZINC000646412916 383991815 /nfs/dbraw/zinc/99/18/15/383991815.db2.gz HWIUWRVVLBUBCV-LBPRGKRZSA-N -1 1 273.336 2.802 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])[C@H](C)[C@H](C)O1 ZINC000438384053 383998615 /nfs/dbraw/zinc/99/86/15/383998615.db2.gz GRMOJBQCZLTQMW-BBBLOLIVSA-N -1 1 283.755 2.684 20 0 CFADMM C[C@@H](NC(=O)Nc1ccc([O-])c(Cl)c1)C(F)F ZINC000641006775 383999927 /nfs/dbraw/zinc/99/99/27/383999927.db2.gz DEDCVSWESJEYDX-RXMQYKEDSA-N -1 1 264.659 2.821 20 0 CFADMM CCc1n[nH]c([N-]S(=O)(=O)c2cccc(CC)c2)c1C ZINC000438244012 383975722 /nfs/dbraw/zinc/97/57/22/383975722.db2.gz CKPYNLZWMWFRGX-UHFFFAOYSA-N -1 1 293.392 2.644 20 0 CFADMM Cc1cnc(C(=O)N[C@@H](CC(F)(F)F)C(C)C)c([O-])c1 ZINC000438603907 384026531 /nfs/dbraw/zinc/02/65/31/384026531.db2.gz TZXRJRQXWPNYCJ-VIFPVBQESA-N -1 1 290.285 2.802 20 0 CFADMM O=C([O-])CN(Cc1ccccc1)C[C@H](O)C1CCCCC1 ZINC000574046888 384037023 /nfs/dbraw/zinc/03/70/23/384037023.db2.gz OMFVHXLTNUPADS-INIZCTEOSA-N -1 1 291.391 2.514 20 0 CFADMM O=C([O-])C[C@@H]1CCC[N@H+]1Cc1csc(-c2ccoc2)n1 ZINC000574331424 384079507 /nfs/dbraw/zinc/07/95/07/384079507.db2.gz BRZKILGIWJLMRG-LBPRGKRZSA-N -1 1 292.360 2.842 20 0 CFADMM O=C([O-])C[C@@H]1CCCN1Cc1csc(-c2ccoc2)n1 ZINC000574331424 384079516 /nfs/dbraw/zinc/07/95/16/384079516.db2.gz BRZKILGIWJLMRG-LBPRGKRZSA-N -1 1 292.360 2.842 20 0 CFADMM C[C@@H](C[N-]C(=O)C(F)(F)F)Cc1cccs1 ZINC000266158868 384098969 /nfs/dbraw/zinc/09/89/69/384098969.db2.gz NSZLKZPSJMWQFK-SSDOTTSWSA-N -1 1 251.273 2.605 20 0 CFADMM CC(C)c1coc([N-]C(=O)c2ocnc2C(F)F)n1 ZINC000637630902 384148151 /nfs/dbraw/zinc/14/81/51/384148151.db2.gz SRMUDVMQYASDSY-UHFFFAOYSA-N -1 1 271.223 2.976 20 0 CFADMM Cc1nsc([N-]C(=O)c2oc3c(c2C)C(=O)CCC3)n1 ZINC000266323702 384149123 /nfs/dbraw/zinc/14/91/23/384149123.db2.gz IMQIDADJBOYJAK-UHFFFAOYSA-N -1 1 291.332 2.519 20 0 CFADMM CO[C@@H]1C[C@@H](C(=O)[O-])N(Cc2ccc(C3CCC3)cc2)C1 ZINC000574995804 384174270 /nfs/dbraw/zinc/17/42/70/384174270.db2.gz KCLYWLDMHPVBQQ-CVEARBPZSA-N -1 1 289.375 2.628 20 0 CFADMM Cc1nc(SCc2cccnc2N)[n-]c(=O)c1C1CC1 ZINC000641542680 384221822 /nfs/dbraw/zinc/22/18/22/384221822.db2.gz JZYNGPSPXBZREZ-UHFFFAOYSA-N -1 1 288.376 2.638 20 0 CFADMM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ncccc1[O-] ZINC000266956179 384269779 /nfs/dbraw/zinc/26/97/79/384269779.db2.gz WBZJSJLAJFIXAS-DZGCQCFKSA-N -1 1 296.370 2.881 20 0 CFADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(F)cc(F)c1O ZINC000641692489 384272179 /nfs/dbraw/zinc/27/21/79/384272179.db2.gz NXTSJAKCSPVATD-VIFPVBQESA-N -1 1 293.335 2.991 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCCCC[C@H]1c1ccncc1 ZINC000267064496 384291167 /nfs/dbraw/zinc/29/11/67/384291167.db2.gz AJJUURTUBYGMFH-INIZCTEOSA-N -1 1 297.358 2.940 20 0 CFADMM C[C@@H](O)C[C@H](C)CNC(=O)c1ccc2ccccc2c1[O-] ZINC000267215436 384325257 /nfs/dbraw/zinc/32/52/57/384325257.db2.gz NLLNAKQKYMCXEW-NWDGAFQWSA-N -1 1 287.359 2.682 20 0 CFADMM Cc1cc(NC(=O)CC(F)(F)F)c2ccccc2n1 ZINC000642083634 384401587 /nfs/dbraw/zinc/40/15/87/384401587.db2.gz VXBATDMVNZSNGD-UHFFFAOYSA-N -1 1 268.238 2.856 20 0 CFADMM CCC[C@H](NC(=O)c1cc2cc(C)ccc2o1)c1nn[n-]n1 ZINC000267560341 384415324 /nfs/dbraw/zinc/41/53/24/384415324.db2.gz GZWCJIAGZSTSQM-NSHDSACASA-N -1 1 299.334 2.526 20 0 CFADMM COC1(c2nc(-c3ccc([O-])c(F)c3)no2)CCC1 ZINC000277842757 384420910 /nfs/dbraw/zinc/42/09/10/384420910.db2.gz AAOYKYXNHBTDEN-UHFFFAOYSA-N -1 1 264.256 2.607 20 0 CFADMM Cc1nnc(CSc2nc(C3CC3)cc(=O)[n-]2)s1 ZINC000277694752 384376664 /nfs/dbraw/zinc/37/66/64/384376664.db2.gz MBMOQYFIUMSDKI-UHFFFAOYSA-N -1 1 280.378 2.512 20 0 CFADMM Cc1oc(C(C)C)cc1C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000289384891 197322663 /nfs/dbraw/zinc/32/26/63/197322663.db2.gz JKXCLPGYCSAROC-UYRXBGFRSA-N -1 1 298.346 2.619 20 0 CFADMM CO[C@@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278272076 384513403 /nfs/dbraw/zinc/51/34/03/384513403.db2.gz VRSJYMPGFBXMLE-LURJTMIESA-N -1 1 254.673 2.803 20 0 CFADMM C[C@@](O)(Cc1nc(-c2ccc([O-])cc2Cl)no1)C1CC1 ZINC000278283747 384516935 /nfs/dbraw/zinc/51/69/35/384516935.db2.gz WKLRPAYRALMWIL-CQSZACIVSA-N -1 1 294.738 2.799 20 0 CFADMM CCCC[C@@H](COC)NC(=O)c1c(F)ccc([O-])c1F ZINC000289311486 197292790 /nfs/dbraw/zinc/29/27/90/197292790.db2.gz DRSGHEUIDUULQW-VIFPVBQESA-N -1 1 287.306 2.605 20 0 CFADMM CC1(C)Cc2cc(NC(=O)c3cncc([O-])c3)ccc2O1 ZINC000268362786 384614160 /nfs/dbraw/zinc/61/41/60/384614160.db2.gz HPMUJSOWFPEXRS-UHFFFAOYSA-N -1 1 284.315 2.753 20 0 CFADMM C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)C1CC1 ZINC000680974461 542393483 /nfs/dbraw/zinc/39/34/83/542393483.db2.gz VUEQMLCLRJJDMQ-QMMMGPOBSA-N -1 1 291.775 2.804 20 0 CFADMM CCOCc1nnc([N-]Cc2ncc(C(C)(C)C)s2)o1 ZINC000279627098 384698907 /nfs/dbraw/zinc/69/89/07/384698907.db2.gz UGWXRHNKESQCMF-UHFFFAOYSA-N -1 1 296.396 2.972 20 0 CFADMM CC[C@@H](C(=O)[N-]OCCSC)c1ccc(OC)cc1 ZINC000279898787 384804291 /nfs/dbraw/zinc/80/42/91/384804291.db2.gz GCYJXKNMCSKXAZ-CYBMUJFWSA-N -1 1 283.393 2.600 20 0 CFADMM CSc1ccc(C(=O)[N-]c2nc(SC)ns2)o1 ZINC000175533078 533095019 /nfs/dbraw/zinc/09/50/19/533095019.db2.gz UYGGYAHUTRIZFR-UHFFFAOYSA-N -1 1 287.391 2.827 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCc2n[nH]cc2C1 ZINC000270541078 385141615 /nfs/dbraw/zinc/14/16/15/385141615.db2.gz XGFXKVRVSUALKT-QMMMGPOBSA-N -1 1 291.738 2.512 20 0 CFADMM CC[C@H]1CN(C(=O)c2c(F)ccc([O-])c2F)CCS1 ZINC000289199587 197260541 /nfs/dbraw/zinc/26/05/41/197260541.db2.gz BINNFABOEUOLMB-QMMMGPOBSA-N -1 1 287.331 2.638 20 0 CFADMM C[C@H]1OCCC[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000289159741 197249581 /nfs/dbraw/zinc/24/95/81/197249581.db2.gz UMHQOWUVEBQCKF-PSASIEDQSA-N -1 1 278.283 2.864 20 0 CFADMM CO[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)C1CC1 ZINC000289110842 197237342 /nfs/dbraw/zinc/23/73/42/197237342.db2.gz PJWJWFODVMFVCW-LLVKDONJSA-N -1 1 264.256 2.679 20 0 CFADMM O=C(N[C@H]1CCCC12CCOCC2)c1c([O-])cccc1F ZINC000282601946 385350358 /nfs/dbraw/zinc/35/03/58/385350358.db2.gz UONIQPTVJNHICE-ZDUSSCGKSA-N -1 1 293.338 2.610 20 0 CFADMM O=C([O-])c1cccc(CN2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000263488968 304259589 /nfs/dbraw/zinc/25/95/89/304259589.db2.gz QKTJCQYYHDWHGZ-HNNXBMFYSA-N -1 1 285.347 2.835 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)C(C2CC2)C2CC2)c1 ZINC000282927578 385412354 /nfs/dbraw/zinc/41/23/54/385412354.db2.gz YYPQLOAMAUKBHL-UHFFFAOYSA-N -1 1 289.331 2.554 20 0 CFADMM C[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)C(F)(F)F ZINC000571365461 322580519 /nfs/dbraw/zinc/58/05/19/322580519.db2.gz MZHAFMFSBLZGNI-YFKPBYRVSA-N -1 1 283.196 2.599 20 0 CFADMM Cc1cccnc1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000122447472 413003739 /nfs/dbraw/zinc/00/37/39/413003739.db2.gz PUCBBEOCOLTORW-OAHLLOKOSA-N -1 1 282.343 2.574 20 0 CFADMM CC(C)Cc1nnc([N-]C(=O)c2cnc(C3CC3)o2)s1 ZINC000639477751 385553369 /nfs/dbraw/zinc/55/33/69/385553369.db2.gz BPGWLWCOFNCZBT-UHFFFAOYSA-N -1 1 292.364 2.854 20 0 CFADMM C[C@@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000288775555 197163829 /nfs/dbraw/zinc/16/38/29/197163829.db2.gz XZRWGRRSXFPZKM-UGFHNGPFSA-N -1 1 287.359 2.612 20 0 CFADMM COCc1cccc(CNC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681019955 542400279 /nfs/dbraw/zinc/40/02/79/542400279.db2.gz QBPJKQVJPAMPAV-UHFFFAOYSA-N -1 1 289.306 2.608 20 0 CFADMM O=C(Nc1ccn(-c2ccccc2)n1)c1ccc([O-])c(F)c1 ZINC000681017134 542400429 /nfs/dbraw/zinc/40/04/29/542400429.db2.gz VLBUDVRPJUURPT-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM CCOC1CC2(C1)CCN(C(=O)c1ccc([O-])cc1F)C2 ZINC000286583480 385657450 /nfs/dbraw/zinc/65/74/50/385657450.db2.gz HCDNXYUAGUFLBF-UHFFFAOYSA-N -1 1 293.338 2.563 20 0 CFADMM CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ncon1 ZINC000286942318 385746551 /nfs/dbraw/zinc/74/65/51/385746551.db2.gz FDQRFEUYQWYKSA-LLVKDONJSA-N -1 1 295.726 2.556 20 0 CFADMM C[C@H]1COCC[C@@H]1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000287014595 385762280 /nfs/dbraw/zinc/76/22/80/385762280.db2.gz VFRSECOKOZYQNA-SWLSCSKDSA-N -1 1 299.370 2.948 20 0 CFADMM O=C(N[C@H]1C[C@H]1c1cccc(F)c1)c1ccc([O-])c(F)c1 ZINC000681032806 542402404 /nfs/dbraw/zinc/40/24/04/542402404.db2.gz QVEMFWKYNSAJHY-JSGCOSHPSA-N -1 1 289.281 2.956 20 0 CFADMM CC(C)OC1CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681043601 542404071 /nfs/dbraw/zinc/40/40/71/542404071.db2.gz PFGICFKFCLCZRN-UHFFFAOYSA-N -1 1 281.327 2.561 20 0 CFADMM CSc1ccncc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681054778 542405278 /nfs/dbraw/zinc/40/52/78/542405278.db2.gz BUMJIBNSFDCMFS-UHFFFAOYSA-N -1 1 278.308 2.901 20 0 CFADMM CC1(C)CCC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681054998 542405293 /nfs/dbraw/zinc/40/52/93/542405293.db2.gz MONUYTVGIOURAI-GFCCVEGCSA-N -1 1 251.301 2.840 20 0 CFADMM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681052469 542405536 /nfs/dbraw/zinc/40/55/36/542405536.db2.gz QDQGQHCMSYDRIN-ZJUUUORDSA-N -1 1 251.301 2.792 20 0 CFADMM O=C(N[C@@H]1CCCC(F)(F)C1)c1ccc([O-])c(F)c1 ZINC000681057026 542406203 /nfs/dbraw/zinc/40/62/03/542406203.db2.gz IKIKCYKPYOZJEL-SECBINFHSA-N -1 1 273.254 2.839 20 0 CFADMM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc([O-])c(F)c1 ZINC000681063580 542406553 /nfs/dbraw/zinc/40/65/53/542406553.db2.gz BTJQXHGKZHGIBW-ONGXEEELSA-N -1 1 251.301 2.934 20 0 CFADMM CCc1noc(C)c1NC(=O)c1ccc([O-])c(F)c1 ZINC000681059410 542406861 /nfs/dbraw/zinc/40/68/61/542406861.db2.gz QJAPKNXBHOFYNO-UHFFFAOYSA-N -1 1 264.256 2.642 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCc2c1cccc2F ZINC000681069958 542407445 /nfs/dbraw/zinc/40/74/45/542407445.db2.gz SDUBVOIBNZRHTB-UHFFFAOYSA-N -1 1 275.254 2.873 20 0 CFADMM CC(C)(CNC(=O)c1c([O-])cccc1F)[C@@H]1CCCCO1 ZINC000681237750 542429898 /nfs/dbraw/zinc/42/98/98/542429898.db2.gz HTGGVBALXRYXLP-ZDUSSCGKSA-N -1 1 295.354 2.856 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCOCC2(CCCC2)C1 ZINC000681376928 542446317 /nfs/dbraw/zinc/44/63/17/542446317.db2.gz QUBBYTUXERDJHU-UHFFFAOYSA-N -1 1 293.338 2.564 20 0 CFADMM CC(C)(C)c1nsc([N-]C(=O)c2coc(C3CC3)n2)n1 ZINC000681598437 542467797 /nfs/dbraw/zinc/46/77/97/542467797.db2.gz RWGOCTDNKPIAAA-UHFFFAOYSA-N -1 1 292.364 2.953 20 0 CFADMM CCCC[C@@H](C(=O)[O-])N(C)Cc1scnc1C ZINC000132664160 413038025 /nfs/dbraw/zinc/03/80/25/413038025.db2.gz JRDMSXAOJPYSTC-JTQLQIEISA-N -1 1 256.371 2.527 20 0 CFADMM COc1cc(C(=O)NCc2ccoc2C)cc(Cl)c1[O-] ZINC000682358827 542540294 /nfs/dbraw/zinc/54/02/94/542540294.db2.gz OEAUZZDBBPEODD-UHFFFAOYSA-N -1 1 295.722 2.886 20 0 CFADMM Cc1cncc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000682466865 542557809 /nfs/dbraw/zinc/55/78/09/542557809.db2.gz XCEXGQWKHCXZTQ-UHFFFAOYSA-N -1 1 297.358 2.590 20 0 CFADMM O=C(NC[C@@H]1CCC(F)(F)C1)c1ccc([O-])cc1F ZINC000281790060 195382482 /nfs/dbraw/zinc/38/24/82/195382482.db2.gz MBNHGLGWQTXLMV-MRVPVSSYSA-N -1 1 273.254 2.697 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000335519092 292876637 /nfs/dbraw/zinc/87/66/37/292876637.db2.gz VXGDOBCLCHPTPR-RYUDHWBXSA-N -1 1 260.337 2.500 20 0 CFADMM COC(=O)c1[n-]c(=N[C@@H](C)c2cccc(O)c2)sc1C ZINC000427992754 533646530 /nfs/dbraw/zinc/64/65/30/533646530.db2.gz MUZWTIHOBHHGSV-QMMMGPOBSA-N -1 1 292.360 2.539 20 0 CFADMM O=C(Nc1c([O-])cccc1F)[C@H]1CC(=O)c2ccccc21 ZINC000682810011 542594426 /nfs/dbraw/zinc/59/44/26/542594426.db2.gz LKDIHJPAAIKMJJ-NSHDSACASA-N -1 1 285.274 2.840 20 0 CFADMM CC(C)C[C@@]1(CO)CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000682818399 542595434 /nfs/dbraw/zinc/59/54/34/542595434.db2.gz FUQAEWACHSUHAW-MRXNPFEDSA-N -1 1 295.354 2.545 20 0 CFADMM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cncc([O-])c1 ZINC000355526127 130310850 /nfs/dbraw/zinc/31/08/50/130310850.db2.gz XAEVJBOLIVZYPE-CYBMUJFWSA-N -1 1 284.359 2.799 20 0 CFADMM CC1([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CCCC1 ZINC000357348848 130447119 /nfs/dbraw/zinc/44/71/19/130447119.db2.gz YHZIAMMKJALVAK-UHFFFAOYSA-N -1 1 293.310 2.715 20 0 CFADMM COc1ccc([C@H](CC(=O)[O-])NCc2occc2C)cc1 ZINC000683171039 542648824 /nfs/dbraw/zinc/64/88/24/542648824.db2.gz FGRPCOMQOOKWRE-AWEZNQCLSA-N -1 1 289.331 2.902 20 0 CFADMM C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])[C@@H]1C ZINC000177068247 413052375 /nfs/dbraw/zinc/05/23/75/413052375.db2.gz FWLYJFSOJXBTDO-RKDXNWHRSA-N -1 1 253.729 2.916 20 0 CFADMM CCc1nnc(CSc2nc(C3CC3)cc(=O)[n-]2)s1 ZINC000683455134 542681943 /nfs/dbraw/zinc/68/19/43/542681943.db2.gz QWGXWKOMQJALFI-UHFFFAOYSA-N -1 1 294.405 2.766 20 0 CFADMM CC(C)COc1cccc(C[N-]C(=O)C(F)(F)F)c1 ZINC000263685223 131308698 /nfs/dbraw/zinc/30/86/98/131308698.db2.gz OIJYTNXSHIJFDT-UHFFFAOYSA-N -1 1 275.270 2.900 20 0 CFADMM Cc1ccc(C)n1C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000263698544 131311420 /nfs/dbraw/zinc/31/14/20/131311420.db2.gz OBFPWPYOCLCONT-UHFFFAOYSA-N -1 1 299.374 2.683 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)ccc1F ZINC000268466694 132013957 /nfs/dbraw/zinc/01/39/57/132013957.db2.gz GVZIAYZBDVJJDW-UHFFFAOYSA-N -1 1 295.339 2.535 20 0 CFADMM O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)c1cnn[nH]1 ZINC000165079589 542771759 /nfs/dbraw/zinc/77/17/59/542771759.db2.gz ALDOFTVPJMOSAU-CQSZACIVSA-N -1 1 288.326 2.605 20 0 CFADMM CCOc1cc(C(=O)N[C@H](C)CC)cc(Cl)c1[O-] ZINC000192957502 393637475 /nfs/dbraw/zinc/63/74/75/393637475.db2.gz SFCQHGKCTQBVPZ-MRVPVSSYSA-N -1 1 271.744 2.973 20 0 CFADMM CC[C@@]1(C)CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000075537639 393675652 /nfs/dbraw/zinc/67/56/52/393675652.db2.gz MVJQJDUAYGWIQO-KRWDZBQOSA-N -1 1 299.374 2.988 20 0 CFADMM CC(C)(C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084935621 393750316 /nfs/dbraw/zinc/75/03/16/393750316.db2.gz ZMGNXTFPAIQLFG-UHFFFAOYSA-N -1 1 253.323 2.510 20 0 CFADMM CCC(CC)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084935698 393751297 /nfs/dbraw/zinc/75/12/97/393751297.db2.gz PBEHOTVZEAUZIM-UHFFFAOYSA-N -1 1 267.350 2.900 20 0 CFADMM COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000211386040 393753544 /nfs/dbraw/zinc/75/35/44/393753544.db2.gz PHTLPKUDIIXASK-HNNXBMFYSA-N -1 1 289.306 2.750 20 0 CFADMM O=C(N[C@H]1CC=CCC1)c1cc(Cl)ccc1[O-] ZINC000080110884 393724348 /nfs/dbraw/zinc/72/43/48/393724348.db2.gz VETSICYKTYTNNF-JTQLQIEISA-N -1 1 251.713 2.884 20 0 CFADMM CC[C@@]1(C)CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000336311180 393728763 /nfs/dbraw/zinc/72/87/63/393728763.db2.gz MCNCEQLFGVUWGI-AWEZNQCLSA-N -1 1 251.301 2.794 20 0 CFADMM O=C(NC[C@H]1CCSC1)c1ccc(Cl)cc1[O-] ZINC000228578259 393774985 /nfs/dbraw/zinc/77/49/85/393774985.db2.gz MGFKYQQKTACHNU-MRVPVSSYSA-N -1 1 271.769 2.529 20 0 CFADMM O=C(NC[C@@H]1CC12CC2)c1cc(Br)ccc1[O-] ZINC000416066083 393860653 /nfs/dbraw/zinc/86/06/53/393860653.db2.gz SXHKLYNNSIIISN-QMMMGPOBSA-N -1 1 296.164 2.685 20 0 CFADMM Cc1ccc(CNC(=O)c2c([O-])cccc2F)cc1F ZINC000119160489 393916141 /nfs/dbraw/zinc/91/61/41/393916141.db2.gz JHBNVWKNCWQBQA-UHFFFAOYSA-N -1 1 277.270 2.909 20 0 CFADMM CN(CCCC(=O)[O-])c1ccnc2cc(F)ccc21 ZINC000416422751 393917595 /nfs/dbraw/zinc/91/75/95/393917595.db2.gz OHRWLRZYDQPBJB-UHFFFAOYSA-N -1 1 262.284 2.675 20 0 CFADMM Cc1nccc(NCCCCCC(=O)[O-])c1Cl ZINC000416425475 393918222 /nfs/dbraw/zinc/91/82/22/393918222.db2.gz IOFJNMLXEPNBNT-UHFFFAOYSA-N -1 1 256.733 2.522 20 0 CFADMM O=c1cc(C(F)(F)F)nc(SCCCF)[n-]1 ZINC000119340729 393918565 /nfs/dbraw/zinc/91/85/65/393918565.db2.gz WZVOFQMUMUAVDR-UHFFFAOYSA-N -1 1 256.224 2.653 20 0 CFADMM CC(C)(C)CCc1nc2cc(F)c([O-])cc2c(=O)[nH]1 ZINC000416411215 393916566 /nfs/dbraw/zinc/91/65/66/393916566.db2.gz IVZJKTLPSLVMRT-UHFFFAOYSA-N -1 1 264.300 2.747 20 0 CFADMM O=C(NCC1CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870666 542864441 /nfs/dbraw/zinc/86/44/41/542864441.db2.gz ILJSAWGKPTXZQO-UHFFFAOYSA-N -1 1 259.227 2.551 20 0 CFADMM C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000684875888 542864938 /nfs/dbraw/zinc/86/49/38/542864938.db2.gz QURZONVKBFEEPF-MRVPVSSYSA-N -1 1 273.254 2.893 20 0 CFADMM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1c([O-])cccc1F ZINC000120818687 393941966 /nfs/dbraw/zinc/94/19/66/393941966.db2.gz CHTBWLAALBTKGZ-YPMHNXCESA-N -1 1 271.291 2.817 20 0 CFADMM CCC[C@H](NC(=O)CC1CCC(C)(C)CC1)c1nn[n-]n1 ZINC000119620954 393921655 /nfs/dbraw/zinc/92/16/55/393921655.db2.gz GTXHFSVTJQRPKL-LBPRGKRZSA-N -1 1 293.415 2.764 20 0 CFADMM CC(C)[C@](C)(CO)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436809990 394023207 /nfs/dbraw/zinc/02/32/07/394023207.db2.gz QIBQPZUVIPOEAK-KRWDZBQOSA-N -1 1 287.359 2.682 20 0 CFADMM Cc1cccc(CN(C)C(=O)C(=O)c2ccc([O-])cc2)c1C ZINC000436803443 394023316 /nfs/dbraw/zinc/02/33/16/394023316.db2.gz PCDCKUDNNSDAQV-UHFFFAOYSA-N -1 1 297.354 2.850 20 0 CFADMM COCc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)o1 ZINC000417525370 393971168 /nfs/dbraw/zinc/97/11/68/393971168.db2.gz AOIPTFGPINZEPO-CYBMUJFWSA-N -1 1 295.360 2.793 20 0 CFADMM Cc1cc(CNCc2ccc(C(=O)[O-])c(C)n2)cs1 ZINC000417554395 393974081 /nfs/dbraw/zinc/97/40/81/393974081.db2.gz CIFAEVSHTJXMJI-UHFFFAOYSA-N -1 1 276.361 2.748 20 0 CFADMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1c([O-])cccc1F ZINC000436820023 394024160 /nfs/dbraw/zinc/02/41/60/394024160.db2.gz FTLOHJURVHEJQS-WCQYABFASA-N -1 1 289.281 2.956 20 0 CFADMM CSc1cc(C(=O)Nc2ccc(F)cc2[O-])ccn1 ZINC000436815725 394024651 /nfs/dbraw/zinc/02/46/51/394024651.db2.gz XJWGOHYRPOZEFH-UHFFFAOYSA-N -1 1 278.308 2.901 20 0 CFADMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc(Br)ccc1[O-] ZINC000436821835 394024971 /nfs/dbraw/zinc/02/49/71/394024971.db2.gz MKZJXRGIFCNKAP-BZBKMWRSSA-N -1 1 296.164 2.683 20 0 CFADMM Cc1cc(CNCc2cnc(C3CC3)nc2)ccc1C(=O)[O-] ZINC000417668903 393991907 /nfs/dbraw/zinc/99/19/07/393991907.db2.gz LFDFRVMZLRZNTF-UHFFFAOYSA-N -1 1 297.358 2.650 20 0 CFADMM Cc1noc(C)c1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC000417672699 393992238 /nfs/dbraw/zinc/99/22/38/393992238.db2.gz UCNJOMOMMURMJI-UHFFFAOYSA-N -1 1 274.320 2.588 20 0 CFADMM O=C(Nc1ccccc1-n1ccnc1)c1ccccc1[O-] ZINC000124432945 393995360 /nfs/dbraw/zinc/99/53/60/393995360.db2.gz UIFSWYWDYOUXIY-UHFFFAOYSA-N -1 1 279.299 2.830 20 0 CFADMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccc(Cl)cc1[O-] ZINC000436822237 394025830 /nfs/dbraw/zinc/02/58/30/394025830.db2.gz OAJOBNSGQJGWSG-BZBKMWRSSA-N -1 1 251.713 2.574 20 0 CFADMM C[C@@H](c1nc(-c2cccs2)no1)N(C)CCCC(=O)[O-] ZINC000430653065 394001637 /nfs/dbraw/zinc/00/16/37/394001637.db2.gz JZDVKWYXAHYDOF-VIFPVBQESA-N -1 1 295.364 2.656 20 0 CFADMM CN(CCCC(=O)[O-])Cc1nc2cc(Cl)ccc2n1C ZINC000430668278 394003363 /nfs/dbraw/zinc/00/33/63/394003363.db2.gz PMVRZHFLEYKCPJ-UHFFFAOYSA-N -1 1 295.770 2.523 20 0 CFADMM Cc1cnc(C(=O)N[C@@H](C)c2ccc(Cl)cn2)c([O-])c1 ZINC000352038932 394010164 /nfs/dbraw/zinc/01/01/64/394010164.db2.gz NQCKDNWESYPVSZ-VIFPVBQESA-N -1 1 291.738 2.635 20 0 CFADMM C[C@H](CCNC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436962545 394038375 /nfs/dbraw/zinc/03/83/75/394038375.db2.gz MAOHRWDYBGQPKE-CYBMUJFWSA-N -1 1 297.354 2.885 20 0 CFADMM O=C(Nc1ccc2nc[nH]c2c1)c1c([O-])cccc1F ZINC000436964605 394038540 /nfs/dbraw/zinc/03/85/40/394038540.db2.gz MMOGOFBILIIYPE-UHFFFAOYSA-N -1 1 271.251 2.660 20 0 CFADMM O=C(N[C@@H]1CCc2c1cccc2O)c1c([O-])cccc1F ZINC000436980414 394040330 /nfs/dbraw/zinc/04/03/30/394040330.db2.gz PYFUCPJZSUPJBU-GFCCVEGCSA-N -1 1 287.290 2.654 20 0 CFADMM CC[C@H](CC(F)(F)F)NC(=O)c1c([O-])cccc1F ZINC000436986987 394040420 /nfs/dbraw/zinc/04/04/20/394040420.db2.gz IESUGZBVBZSLEY-SSDOTTSWSA-N -1 1 279.233 2.992 20 0 CFADMM CCc1cnccc1[C@H](C)NC(=O)c1c([O-])cccc1F ZINC000436986560 394040702 /nfs/dbraw/zinc/04/07/02/394040702.db2.gz GPCRONPIMYQRKA-JTQLQIEISA-N -1 1 288.322 2.980 20 0 CFADMM CC(C)[C@H]1CCC[C@H](NC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436984688 394040867 /nfs/dbraw/zinc/04/08/67/394040867.db2.gz ZKVOHSRQAHXHRY-KBPBESRZSA-N -1 1 289.375 2.906 20 0 CFADMM Cc1cc2n[nH]cc2cc1NC(=O)c1ccc([O-])cc1F ZINC000436997921 394041507 /nfs/dbraw/zinc/04/15/07/394041507.db2.gz BDCPBOOZSOBFPY-UHFFFAOYSA-N -1 1 285.278 2.968 20 0 CFADMM Cc1c[nH]c(NC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000436988158 394041697 /nfs/dbraw/zinc/04/16/97/394041697.db2.gz VYTSFBADZOMIFO-UHFFFAOYSA-N -1 1 259.309 2.799 20 0 CFADMM CC(C)O[C@@H]1C[C@@H](NC(=O)c2c([O-])cccc2F)C1(C)C ZINC000436990071 394041872 /nfs/dbraw/zinc/04/18/72/394041872.db2.gz QMTMGILIFPXCND-CHWSQXEVSA-N -1 1 295.354 2.853 20 0 CFADMM CCC1(C[N-]S(=O)(=O)c2cc(F)ccc2F)CCC1 ZINC000437319339 394053165 /nfs/dbraw/zinc/05/31/65/394053165.db2.gz BTYUCHYWCLRGCT-UHFFFAOYSA-N -1 1 289.347 2.823 20 0 CFADMM CCS[C@H]1CCC[C@H]1NC(=O)c1c([O-])cccc1F ZINC000128089184 394063066 /nfs/dbraw/zinc/06/30/66/394063066.db2.gz FDGPUXCNCHOEQG-PWSUYJOCSA-N -1 1 283.368 2.935 20 0 CFADMM CCC1(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)CC1 ZINC000419913425 394068761 /nfs/dbraw/zinc/06/87/61/394068761.db2.gz PAVRSTOJZQAQCQ-UHFFFAOYSA-N -1 1 291.301 2.906 20 0 CFADMM CCc1ccnc(CNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000437708064 394070202 /nfs/dbraw/zinc/07/02/02/394070202.db2.gz WOSNMZRRGDEEIV-UHFFFAOYSA-N -1 1 290.750 2.933 20 0 CFADMM CCc1ccnc(CNC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000437717812 394070880 /nfs/dbraw/zinc/07/08/80/394070880.db2.gz JOOVNFDMUNJIFM-UHFFFAOYSA-N -1 1 290.750 2.933 20 0 CFADMM COc1cc(C)ccc1CNC(=O)c1c([O-])cccc1F ZINC000129315892 394085889 /nfs/dbraw/zinc/08/58/89/394085889.db2.gz SMFVCDHBMNZCFZ-UHFFFAOYSA-N -1 1 289.306 2.778 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCc2c(F)cccc2C1 ZINC000129724757 394093450 /nfs/dbraw/zinc/09/34/50/394093450.db2.gz ISRCGYDOUHGHAQ-UHFFFAOYSA-N -1 1 289.281 2.869 20 0 CFADMM C[C@H]1C[C@H](CCNC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000436846461 394028313 /nfs/dbraw/zinc/02/83/13/394028313.db2.gz XGIOPUYWVUEENK-WDEREUQCSA-N -1 1 297.782 2.981 20 0 CFADMM CCc1cc(NC(=O)C(=O)c2ccc([O-])cc2)ccc1F ZINC000436844892 394028817 /nfs/dbraw/zinc/02/88/17/394028817.db2.gz PYJVBNGQZHTRFZ-UHFFFAOYSA-N -1 1 287.290 2.915 20 0 CFADMM CC(C)COC1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000436874104 394030731 /nfs/dbraw/zinc/03/07/31/394030731.db2.gz YXCZDVLJAVZBRH-UHFFFAOYSA-N -1 1 295.354 2.809 20 0 CFADMM Cc1nc(CCNC(=O)c2ccc(Cl)cc2[O-])c(C)o1 ZINC000436900288 394032632 /nfs/dbraw/zinc/03/26/32/394032632.db2.gz BNHIODWTBHLLBM-UHFFFAOYSA-N -1 1 294.738 2.623 20 0 CFADMM C[C@@H]1CCC[C@H](CCNC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436898458 394033218 /nfs/dbraw/zinc/03/32/18/394033218.db2.gz XTTJIDDGZXVDHA-CHWSQXEVSA-N -1 1 289.375 2.908 20 0 CFADMM Cc1cccc([C@H](C)CNC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436909164 394033834 /nfs/dbraw/zinc/03/38/34/394033834.db2.gz LIHIQCAIKHIDOO-CYBMUJFWSA-N -1 1 297.354 2.803 20 0 CFADMM CC(C)(C)CC[C@H](CO)NC(=O)c1cc(Cl)ccc1[O-] ZINC000436929635 394035237 /nfs/dbraw/zinc/03/52/37/394035237.db2.gz FSSUXHDRSICWCX-LLVKDONJSA-N -1 1 299.798 2.963 20 0 CFADMM CC[C@H](CS(=O)(=O)[N-]c1cccc(Cl)c1F)OC ZINC000421140059 394177152 /nfs/dbraw/zinc/17/71/52/394177152.db2.gz MGZPEKITFBHNNI-MRVPVSSYSA-N -1 1 295.763 2.646 20 0 CFADMM CCc1ccccc1[C@H](N)CN=c1[n-]nc(C2CC2)s1 ZINC000420285349 394116668 /nfs/dbraw/zinc/11/66/68/394116668.db2.gz VKJZNWMFWDRMRV-CYBMUJFWSA-N -1 1 288.420 2.512 20 0 CFADMM O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1ccccc1[O-] ZINC000131393943 394132011 /nfs/dbraw/zinc/13/20/11/394132011.db2.gz IROSPMYLAXSKSX-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM CCc1noc(C)c1[N-]C(=O)c1cc(-c2ccncc2)on1 ZINC000132682468 394161189 /nfs/dbraw/zinc/16/11/89/394161189.db2.gz XNZBWWANOKVOEN-UHFFFAOYSA-N -1 1 298.302 2.848 20 0 CFADMM COC(=O)c1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000132950819 394166408 /nfs/dbraw/zinc/16/64/08/394166408.db2.gz WVWKKAOHLZRVKF-UHFFFAOYSA-N -1 1 289.262 2.570 20 0 CFADMM CCc1noc(C)c1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC000132950495 394166599 /nfs/dbraw/zinc/16/65/99/394166599.db2.gz KLCJTSFEOGZYBH-UHFFFAOYSA-N -1 1 298.302 2.848 20 0 CFADMM O=C([N-]c1nncs1)c1cc(F)c(Cl)cc1F ZINC000133087918 394168427 /nfs/dbraw/zinc/16/84/27/394168427.db2.gz BJSREDLLDKNNRO-UHFFFAOYSA-N -1 1 275.667 2.722 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]1[C@H]1CCCO1 ZINC000285936951 394169115 /nfs/dbraw/zinc/16/91/15/394169115.db2.gz VUOGJLUHCYLHGR-TZMCWYRMSA-N -1 1 295.766 2.829 20 0 CFADMM CCC[C@H](NC(=O)CC1(C)CCCCC1)c1nn[n-]n1 ZINC000133425167 394175925 /nfs/dbraw/zinc/17/59/25/394175925.db2.gz GCGYASZBBWMNPK-NSHDSACASA-N -1 1 279.388 2.518 20 0 CFADMM COCC[C@@H]1CCCC[N@@H+]([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000364436401 394212483 /nfs/dbraw/zinc/21/24/83/394212483.db2.gz XSKXNYDCHQGTAG-KBPBESRZSA-N -1 1 293.411 2.690 20 0 CFADMM CC[C@H]1C[C@H](NCc2c(F)ccc(O)c2F)CCO1 ZINC000421389898 394216754 /nfs/dbraw/zinc/21/67/54/394216754.db2.gz RSZMRYSKQMVCIP-ZJUUUORDSA-N -1 1 271.307 2.718 20 0 CFADMM Cc1noc(C2CC2)c1NC(=O)c1ccc([O-])cc1F ZINC000135597140 394223242 /nfs/dbraw/zinc/22/32/42/394223242.db2.gz VFKMSZIAXGOEPI-UHFFFAOYSA-N -1 1 276.267 2.957 20 0 CFADMM Cc1nc(C)c([N-]S(=O)(=O)CCC(C)(C)C)s1 ZINC000290605462 394231775 /nfs/dbraw/zinc/23/17/75/394231775.db2.gz ZONIDMNCUIZSBD-UHFFFAOYSA-N -1 1 276.427 2.938 20 0 CFADMM O=C(Nc1cccc(CCCO)c1)c1ccccc1[O-] ZINC000136269491 394231929 /nfs/dbraw/zinc/23/19/29/394231929.db2.gz NBTKGRMDGBVCEC-UHFFFAOYSA-N -1 1 271.316 2.569 20 0 CFADMM CC(=O)c1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000148198336 394248155 /nfs/dbraw/zinc/24/81/55/394248155.db2.gz UVENVBUPXBWJSA-UHFFFAOYSA-N -1 1 271.272 2.553 20 0 CFADMM O=C(NCCc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000149003051 394248311 /nfs/dbraw/zinc/24/83/11/394248311.db2.gz AQGLPIMFRNAISQ-UHFFFAOYSA-N -1 1 277.270 2.643 20 0 CFADMM CC1(/C=C/C(=O)Nc2ccc([O-])c(F)c2F)CCOCC1 ZINC000493598326 394287268 /nfs/dbraw/zinc/28/72/68/394287268.db2.gz XYFDCFIYBMZONL-SNAWJCMRSA-N -1 1 297.301 2.982 20 0 CFADMM CCCS(=O)(=O)[N-]c1ccc(-c2ccc(C)nc2)cn1 ZINC000451045892 394350425 /nfs/dbraw/zinc/35/04/25/394350425.db2.gz SKCUYLMFEOUAJF-UHFFFAOYSA-N -1 1 291.376 2.604 20 0 CFADMM Cc1cccc(C)c1CS(=O)(=O)[N-][C@@H](C)C(C)(F)F ZINC000451069775 394354305 /nfs/dbraw/zinc/35/43/05/394354305.db2.gz MPMSSYDBGPNIHL-NSHDSACASA-N -1 1 291.363 2.767 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1F ZINC000158860906 394361873 /nfs/dbraw/zinc/36/18/73/394361873.db2.gz LNJKBYDTUKKCHB-UHFFFAOYSA-N -1 1 299.298 2.780 20 0 CFADMM O=S(=O)([N-]CCC1=CCCC1)c1cccc(F)c1F ZINC000159119541 394363905 /nfs/dbraw/zinc/36/39/05/394363905.db2.gz YHLVIQAGCNAJAK-UHFFFAOYSA-N -1 1 287.331 2.744 20 0 CFADMM CCC[C@@]1(CO)CC[N@@H+](Cc2cc(C(=O)[O-])sc2C)C1 ZINC000519657204 394374305 /nfs/dbraw/zinc/37/43/05/394374305.db2.gz WFCFPEIZTGYORX-OAHLLOKOSA-N -1 1 297.420 2.739 20 0 CFADMM CO[C@@H](C)c1nc(=NCC[C@H]2CC=CCC2)s[n-]1 ZINC000528183803 394399960 /nfs/dbraw/zinc/39/99/60/394399960.db2.gz ULGWJRIUXRLSQG-QWRGUYRKSA-N -1 1 267.398 2.826 20 0 CFADMM CCOc1cccc(NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC000685443518 542914946 /nfs/dbraw/zinc/91/49/46/542914946.db2.gz IOWUFTDVVPMJOJ-UHFFFAOYSA-N -1 1 294.257 2.716 20 0 CFADMM CC(C)(C)CCCS(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000685512033 542924872 /nfs/dbraw/zinc/92/48/72/542924872.db2.gz BHZQFQYGWLMSKZ-JTQLQIEISA-N -1 1 283.384 2.920 20 0 CFADMM O=S(=O)(CCC1CCC1)[N-]C1(C(F)F)CCCC1 ZINC000685512257 542924887 /nfs/dbraw/zinc/92/48/87/542924887.db2.gz PIEUOSFHCMORAA-UHFFFAOYSA-N -1 1 281.368 2.674 20 0 CFADMM COc1cc(C(=O)NCC2CC=CC2)cc(Cl)c1[O-] ZINC000529713792 394422298 /nfs/dbraw/zinc/42/22/98/394422298.db2.gz ZMGRSIOUJNHVGZ-UHFFFAOYSA-N -1 1 281.739 2.750 20 0 CFADMM Cc1noc(C)c1CCC(=O)Nc1cccc(F)c1[O-] ZINC000530006066 394441652 /nfs/dbraw/zinc/44/16/52/394441652.db2.gz NHLUWRSEABALCC-UHFFFAOYSA-N -1 1 278.283 2.707 20 0 CFADMM Cc1n[nH]c(C(C)C)c1C(=O)Nc1cccc(F)c1O ZINC000530005953 394441762 /nfs/dbraw/zinc/44/17/62/394441762.db2.gz POFJJUDNUIMLNX-UHFFFAOYSA-N -1 1 277.299 2.939 20 0 CFADMM Cc1[nH]nc(C(C)C)c1C(=O)Nc1cccc(F)c1[O-] ZINC000530005953 394441764 /nfs/dbraw/zinc/44/17/64/394441764.db2.gz POFJJUDNUIMLNX-UHFFFAOYSA-N -1 1 277.299 2.939 20 0 CFADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000530005911 394442046 /nfs/dbraw/zinc/44/20/46/394442046.db2.gz NXDSYBABJXGHHH-CQSZACIVSA-N -1 1 292.354 2.877 20 0 CFADMM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530007068 394442070 /nfs/dbraw/zinc/44/20/70/394442070.db2.gz ZJRHOOPYJKYTAL-JOYOIKCWSA-N -1 1 267.300 2.675 20 0 CFADMM CO[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530007064 394442236 /nfs/dbraw/zinc/44/22/36/394442236.db2.gz ZJRHOOPYJKYTAL-BXKDBHETSA-N -1 1 267.300 2.675 20 0 CFADMM Cc1cc(C)n([C@H](C)CC(=O)Nc2cccc(F)c2[O-])n1 ZINC000530007222 394442338 /nfs/dbraw/zinc/44/23/38/394442338.db2.gz RQWCOIFYPOMBDA-LLVKDONJSA-N -1 1 291.326 2.934 20 0 CFADMM C[C@@H]1CC(F)(F)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000530010127 394442948 /nfs/dbraw/zinc/44/29/48/394442948.db2.gz HJRXPAGUQBQSNP-MRVPVSSYSA-N -1 1 273.254 2.791 20 0 CFADMM O=C(c1csc(=NC2CC2)[n-]1)N(C1CC1)C1CCCC1 ZINC000539784088 394632870 /nfs/dbraw/zinc/63/28/70/394632870.db2.gz LTRDXOXBGHXOPC-UHFFFAOYSA-N -1 1 291.420 2.687 20 0 CFADMM Cc1cnc(C(=O)NCCCc2cccs2)c([O-])c1 ZINC000547656542 394880857 /nfs/dbraw/zinc/88/08/57/394880857.db2.gz XWLHWKGSKLQMPF-UHFFFAOYSA-N -1 1 276.361 2.520 20 0 CFADMM CC1(C)CC(CNC(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000548080084 394908570 /nfs/dbraw/zinc/90/85/70/394908570.db2.gz OXCBGVJBSAKGCN-UHFFFAOYSA-N -1 1 284.359 2.694 20 0 CFADMM CCc1ccc(CN=c2[n-]ncn2Cc2ccccc2)s1 ZINC000548288948 394921088 /nfs/dbraw/zinc/92/10/88/394921088.db2.gz QSHLGBUPIFHTNC-UHFFFAOYSA-N -1 1 298.415 2.984 20 0 CFADMM O=C([N-]c1nnc(C2CC2)s1)c1conc1C1CC1 ZINC000554958091 394963854 /nfs/dbraw/zinc/96/38/54/394963854.db2.gz PHDJWLKKQPYOMZ-UHFFFAOYSA-N -1 1 276.321 2.533 20 0 CFADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C)cc1F)C(C)C ZINC000647122614 395166178 /nfs/dbraw/zinc/16/61/78/395166178.db2.gz OFXIGRYFBHRIMS-ZDUSSCGKSA-N -1 1 289.372 2.547 20 0 CFADMM C[C@@H]1CCn2ncc(C(=O)Nc3c([O-])cccc3F)c2C1 ZINC000648841411 395335438 /nfs/dbraw/zinc/33/54/38/395335438.db2.gz 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UUFYMDQBQFUVAE-BDAKNGLRSA-N -1 1 295.364 2.512 20 0 CFADMM C[C@@H]1CCC[C@@H](C)N1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000736774109 574071844 /nfs/dbraw/zinc/07/18/44/574071844.db2.gz GIYGFGYJFIUXBE-VXGBXAGGSA-N -1 1 290.363 2.586 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2CCCC2)c1 ZINC000744476125 574076550 /nfs/dbraw/zinc/07/65/50/574076550.db2.gz RXYAHMUWHILKPP-UHFFFAOYSA-N -1 1 276.332 2.871 20 0 CFADMM O=C(OC[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000730362090 574077235 /nfs/dbraw/zinc/07/72/35/574077235.db2.gz KKDHSXXQAJWBDI-SSDOTTSWSA-N -1 1 291.130 2.892 20 0 CFADMM O=C([N-]c1cnoc1)c1sc(N2CCCC2)nc1Cl ZINC000728167963 574083473 /nfs/dbraw/zinc/08/34/73/574083473.db2.gz ZQBWRHVNXJGSIW-UHFFFAOYSA-N -1 1 298.755 2.637 20 0 CFADMM CC[C@@H]1CCCN1CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736937431 574086902 /nfs/dbraw/zinc/08/69/02/574086902.db2.gz GSKXVUFVYPCARI-CYBMUJFWSA-N -1 1 290.363 2.506 20 0 CFADMM CCCCCC[C@@](C)(NC(=O)c1[nH]nc(C)c1C)C(=O)[O-] ZINC000737815848 574124428 /nfs/dbraw/zinc/12/44/28/574124428.db2.gz CRMXEGDSXRZEAN-OAHLLOKOSA-N -1 1 295.383 2.570 20 0 CFADMM Cc1ccc([C@H](C)CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000737322639 574135158 /nfs/dbraw/zinc/13/51/58/574135158.db2.gz ZURYIXFSYCDDBM-GFCCVEGCSA-N -1 1 294.362 2.786 20 0 CFADMM Cc1ccc([C@H](C)CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000737322639 574135163 /nfs/dbraw/zinc/13/51/63/574135163.db2.gz ZURYIXFSYCDDBM-GFCCVEGCSA-N -1 1 294.362 2.786 20 0 CFADMM Cc1ccc(C)c(CSc2nccnc2-c2nn[n-]n2)c1 ZINC000737323670 574135403 /nfs/dbraw/zinc/13/54/03/574135403.db2.gz UVEGRIUJLMGGBV-UHFFFAOYSA-N -1 1 298.375 2.566 20 0 CFADMM CN(CCN(C)c1ccccc1)Cc1cc(C(=O)[O-])co1 ZINC000737441933 574141478 /nfs/dbraw/zinc/14/14/78/574141478.db2.gz REQRERVWBQEXCU-UHFFFAOYSA-N -1 1 288.347 2.546 20 0 CFADMM Cc1ccc(CCNC(=O)c2c([O-])cccc2Cl)cn1 ZINC000732302748 574149320 /nfs/dbraw/zinc/14/93/20/574149320.db2.gz STUTYHCIMGGGFH-UHFFFAOYSA-N -1 1 290.750 2.722 20 0 CFADMM CN(C(=O)[O-])C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000737938035 574154914 /nfs/dbraw/zinc/15/49/14/574154914.db2.gz RSIWEAGLAQSMHH-UHFFFAOYSA-N -1 1 282.771 2.914 20 0 CFADMM Cc1[nH]c(C(=O)[C@H](C)N(C)CC(C)(C)C)c(C)c1C(=O)[O-] ZINC000738228839 574160840 /nfs/dbraw/zinc/16/08/40/574160840.db2.gz CINAKGRXSJVXMX-NSHDSACASA-N -1 1 294.395 2.879 20 0 CFADMM Cc1ccc(CCN(CC(=O)[O-])Cc2ccco2)cc1 ZINC000738282078 574162626 /nfs/dbraw/zinc/16/26/26/574162626.db2.gz JUAQFSOKWRFYCA-UHFFFAOYSA-N -1 1 273.332 2.717 20 0 CFADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@H]1C1CCC1 ZINC000738290732 574163079 /nfs/dbraw/zinc/16/30/79/574163079.db2.gz VRDIUKZGMKMLMG-NSHDSACASA-N -1 1 297.786 2.765 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](C(C)C)C1 ZINC000755624976 574172661 /nfs/dbraw/zinc/17/26/61/574172661.db2.gz YUAOIIUZOPVZAB-LBPRGKRZSA-N -1 1 291.395 2.732 20 0 CFADMM CC[C@H]1CCCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000747206254 574187428 /nfs/dbraw/zinc/18/74/28/574187428.db2.gz LUHNVAHZGVFDOX-LBPRGKRZSA-N -1 1 291.395 2.876 20 0 CFADMM Cn1cc([C@@H](NCc2occc2C(=O)[O-])C(C)(C)C)cn1 ZINC000739025310 574193545 /nfs/dbraw/zinc/19/35/45/574193545.db2.gz CXMJMJRYTDJXGO-CYBMUJFWSA-N -1 1 291.351 2.588 20 0 CFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H](C)C(C)(C)C ZINC000747394991 574193812 /nfs/dbraw/zinc/19/38/12/574193812.db2.gz CTIALWSEOCJPKO-QMMMGPOBSA-N -1 1 297.424 2.625 20 0 CFADMM C[C@H](NCCNC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000739034357 574194078 /nfs/dbraw/zinc/19/40/78/574194078.db2.gz MAJHUNLNQGGDHQ-JTQLQIEISA-N -1 1 291.376 2.728 20 0 CFADMM C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739054606 574194621 /nfs/dbraw/zinc/19/46/21/574194621.db2.gz APCSSCARXDMHQW-UWVGGRQHSA-N -1 1 284.306 2.615 20 0 CFADMM C[C@H](c1ccc(F)cc1F)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739054605 574194696 /nfs/dbraw/zinc/19/46/96/574194696.db2.gz APCSSCARXDMHQW-NXEZZACHSA-N -1 1 284.306 2.615 20 0 CFADMM C[C@H](c1ccccc1Cl)N1CC[C@H](NC(=O)[O-])C1 ZINC000739056407 574195505 /nfs/dbraw/zinc/19/55/05/574195505.db2.gz DWHKEZOWPFICPB-ZJUUUORDSA-N -1 1 268.744 2.743 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2cscn2)n1 ZINC000747984929 574223774 /nfs/dbraw/zinc/22/37/74/574223774.db2.gz VTHRIVRQSYAFCR-UHFFFAOYSA-N -1 1 267.379 2.884 20 0 CFADMM O=C(NCC1CCSCC1)c1c([O-])cccc1Cl ZINC000733366232 574224001 /nfs/dbraw/zinc/22/40/01/574224001.db2.gz OYNQFCKGZDNXNR-UHFFFAOYSA-N -1 1 285.796 2.919 20 0 CFADMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2)nc1 ZINC000756333626 574225916 /nfs/dbraw/zinc/22/59/16/574225916.db2.gz ROYSSLVTQSOAOW-AWEZNQCLSA-N -1 1 290.750 2.959 20 0 CFADMM O=C([O-])c1ccc(CNCc2cccc(OC(F)F)c2)o1 ZINC000740132977 574238903 /nfs/dbraw/zinc/23/89/03/574238903.db2.gz PVTQFQMVSZDOGA-UHFFFAOYSA-N -1 1 297.257 2.869 20 0 CFADMM CN(C(=O)c1ccc2ccccc2c1[O-])c1cn[nH]c1 ZINC000748388719 574250638 /nfs/dbraw/zinc/25/06/38/574250638.db2.gz WTRCEHUWHYILMT-UHFFFAOYSA-N -1 1 267.288 2.545 20 0 CFADMM O=C([O-])N(CCNCc1ccccc1Cl)C1CC1 ZINC000740488389 574250655 /nfs/dbraw/zinc/25/06/55/574250655.db2.gz AYINMSOMMXODDA-UHFFFAOYSA-N -1 1 268.744 2.572 20 0 CFADMM C[C@@H]1Cc2ccccc2[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000749388080 574292254 /nfs/dbraw/zinc/29/22/54/574292254.db2.gz PRQLINRDCBBKRN-XCBNKYQSSA-N -1 1 275.245 2.937 20 0 CFADMM C[C@H](Cc1ccncc1)NC(=O)c1c([O-])cccc1Cl ZINC000749543159 574299661 /nfs/dbraw/zinc/29/96/61/574299661.db2.gz AWMOPCMITGHVLS-SNVBAGLBSA-N -1 1 290.750 2.802 20 0 CFADMM C[C@@H](Cc1ccncc1)NC(=O)c1c([O-])cccc1Cl ZINC000749543158 574299956 /nfs/dbraw/zinc/29/99/56/574299956.db2.gz AWMOPCMITGHVLS-JTQLQIEISA-N -1 1 290.750 2.802 20 0 CFADMM Cc1oc(-c2cccs2)nc1C(=O)[N-]c1cnoc1 ZINC000749556164 574300460 /nfs/dbraw/zinc/30/04/60/574300460.db2.gz JZCSQLLNRSUBCY-UHFFFAOYSA-N -1 1 275.289 2.952 20 0 CFADMM CCSc1ccccc1OS(=O)(=O)c1c[n-]nc1C ZINC000734849165 574304003 /nfs/dbraw/zinc/30/40/03/574304003.db2.gz XTFBRHAAWGSJSE-UHFFFAOYSA-N -1 1 298.389 2.598 20 0 CFADMM CCO[N-]C(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000742041762 574313936 /nfs/dbraw/zinc/31/39/36/574313936.db2.gz APRLKBKXJVHHBQ-QMMMGPOBSA-N -1 1 261.243 2.877 20 0 CFADMM C[C@@H](c1c(F)cccc1F)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739050591 574324651 /nfs/dbraw/zinc/32/46/51/574324651.db2.gz AZOSOSHGDLDPMW-WDEREUQCSA-N -1 1 298.333 2.958 20 0 CFADMM CC(C)[C@@H]1CCC[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000735747741 574334740 /nfs/dbraw/zinc/33/47/40/574334740.db2.gz GTWIAVXRDAFRMP-NEPJUHHUSA-N -1 1 286.383 2.888 20 0 CFADMM CC(C)[C@@H]1CCC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000735747741 574334741 /nfs/dbraw/zinc/33/47/41/574334741.db2.gz GTWIAVXRDAFRMP-NEPJUHHUSA-N -1 1 286.383 2.888 20 0 CFADMM C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739060291 574339808 /nfs/dbraw/zinc/33/98/08/574339808.db2.gz YAUCSQKNLIJOHB-QWRGUYRKSA-N -1 1 298.333 2.958 20 0 CFADMM Cc1nn(CC(=O)Nc2c([O-])cccc2F)c(C)c1Cl ZINC000735924984 574343354 /nfs/dbraw/zinc/34/33/54/574343354.db2.gz JQKLSHQJCUIUCQ-UHFFFAOYSA-N -1 1 297.717 2.637 20 0 CFADMM C[C@H](N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1)C(C)(C)C ZINC000736099669 574351058 /nfs/dbraw/zinc/35/10/58/574351058.db2.gz VUZJBNMRLADARU-QMMMGPOBSA-N -1 1 294.790 2.786 20 0 CFADMM C[C@H](N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1)C(C)(C)C ZINC000736099669 574351060 /nfs/dbraw/zinc/35/10/60/574351060.db2.gz VUZJBNMRLADARU-QMMMGPOBSA-N -1 1 294.790 2.786 20 0 CFADMM CCC(CC)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000736344737 574364102 /nfs/dbraw/zinc/36/41/02/574364102.db2.gz CKHMLDOBUIDKSB-UHFFFAOYSA-N -1 1 286.792 2.825 20 0 CFADMM CCC(CC)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000736344737 574364104 /nfs/dbraw/zinc/36/41/04/574364104.db2.gz CKHMLDOBUIDKSB-UHFFFAOYSA-N -1 1 286.792 2.825 20 0 CFADMM CC[C@@H](C)[C@](C)(O)CNC(=O)c1c([O-])cccc1Cl ZINC000743482125 574366415 /nfs/dbraw/zinc/36/64/15/574366415.db2.gz NTBHIJDXXXNEEI-YMTOWFKASA-N -1 1 285.771 2.573 20 0 CFADMM C[C@@H](O)CC(C)(C)CNC(=O)c1c([O-])cccc1Cl ZINC000743575598 574368945 /nfs/dbraw/zinc/36/89/45/574368945.db2.gz VIFJCAYQBCUEEQ-SECBINFHSA-N -1 1 285.771 2.573 20 0 CFADMM C[C@H]1COCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000398870624 574377071 /nfs/dbraw/zinc/37/70/71/574377071.db2.gz CBRFDYNVQYZDEK-LBPRGKRZSA-N -1 1 285.343 2.796 20 0 CFADMM O=C(C[C@H]1CSCCS1)Nc1c([O-])cccc1F ZINC000752621426 574393221 /nfs/dbraw/zinc/39/32/21/574393221.db2.gz FVGLFITXINSFPJ-QMMMGPOBSA-N -1 1 287.381 2.709 20 0 CFADMM CCOCCC1(CNC(=O)c2c([O-])cccc2Cl)CC1 ZINC000752627918 574393281 /nfs/dbraw/zinc/39/32/81/574393281.db2.gz SYPYIYYPQFOPJH-UHFFFAOYSA-N -1 1 297.782 2.982 20 0 CFADMM CC[C@@H](C[N-]C(=O)C(F)(F)F)Oc1cccc(C)c1 ZINC000752747858 574394533 /nfs/dbraw/zinc/39/45/33/574394533.db2.gz UXNJXZQPKCPWIF-JTQLQIEISA-N -1 1 275.270 2.831 20 0 CFADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H]1C ZINC000752806807 574395385 /nfs/dbraw/zinc/39/53/85/574395385.db2.gz CZUXXAILBLLUDO-RKDXNWHRSA-N -1 1 253.729 2.774 20 0 CFADMM COCCO[N-]C(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000753319880 574401376 /nfs/dbraw/zinc/40/13/76/574401376.db2.gz MULQOKYENQVJBW-LBPRGKRZSA-N -1 1 273.332 2.638 20 0 CFADMM c1ccc2c(c1)CCC[C@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000095169522 599392631 /nfs/dbraw/zinc/39/26/31/599392631.db2.gz ODWYRTYTXBJXIT-CYBMUJFWSA-N -1 1 292.346 2.751 20 0 CFADMM c1ccc2c(c1)CCC[C@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000095169522 599392634 /nfs/dbraw/zinc/39/26/34/599392634.db2.gz ODWYRTYTXBJXIT-CYBMUJFWSA-N -1 1 292.346 2.751 20 0 CFADMM c1cc(-c2nnn[n-]2)nc(N2CCC(C3CCCC3)CC2)c1 ZINC000823743145 599082604 /nfs/dbraw/zinc/08/26/04/599082604.db2.gz UZKWLUSLRCMXDG-UHFFFAOYSA-N -1 1 298.394 2.668 20 0 CFADMM c1cc(-c2nn[n-]n2)nc(N2CCC(C3CCCC3)CC2)c1 ZINC000823743145 599082606 /nfs/dbraw/zinc/08/26/06/599082606.db2.gz UZKWLUSLRCMXDG-UHFFFAOYSA-N -1 1 298.394 2.668 20 0 CFADMM C[N@@H+](CCNC(=O)[O-])Cc1csc2ccccc12 ZINC000828329619 603451950 /nfs/dbraw/zinc/45/19/50/603451950.db2.gz JLWYTMSOVYSWRL-UHFFFAOYSA-N -1 1 264.350 2.601 20 0 CFADMM CC[C@@H](NCc1ccc(CSC(F)F)o1)C(=O)[O-] ZINC000818317543 597153873 /nfs/dbraw/zinc/15/38/73/597153873.db2.gz XWQAIUUOFRSBMQ-SECBINFHSA-N -1 1 279.308 2.688 20 0 CFADMM CN(CCC(=O)[O-])Cc1coc(-c2c(F)cccc2F)n1 ZINC000820586325 597376148 /nfs/dbraw/zinc/37/61/48/597376148.db2.gz TYCABPNYBPVZBJ-UHFFFAOYSA-N -1 1 296.273 2.526 20 0 CFADMM COc1ccccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000821903066 607308172 /nfs/dbraw/zinc/30/81/72/607308172.db2.gz AHDANDCOIHTFPD-UHFFFAOYSA-N -1 1 287.348 2.549 20 0 CFADMM Cc1cc(F)cc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000822203387 607311690 /nfs/dbraw/zinc/31/16/90/607311690.db2.gz QXBPSELZNKJDCP-UHFFFAOYSA-N -1 1 273.271 2.519 20 0 CFADMM Cc1cc(F)cc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822203387 607311691 /nfs/dbraw/zinc/31/16/91/607311691.db2.gz QXBPSELZNKJDCP-UHFFFAOYSA-N -1 1 273.271 2.519 20 0 CFADMM CCOc1cc(NCc2ccc(-c3nnn[n-]3)o2)ccc1C ZINC000821400789 607316022 /nfs/dbraw/zinc/31/60/22/607316022.db2.gz OPNSSHITUGCDKG-UHFFFAOYSA-N -1 1 299.334 2.779 20 0 CFADMM CCOc1cc(NCc2ccc(-c3nn[n-]n3)o2)ccc1C ZINC000821400789 607316023 /nfs/dbraw/zinc/31/60/23/607316023.db2.gz OPNSSHITUGCDKG-UHFFFAOYSA-N -1 1 299.334 2.779 20 0 CFADMM CN(CC1CCCCC1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900109598 620640338 /nfs/dbraw/zinc/64/03/38/620640338.db2.gz JXUJEPBOOMAGGS-UHFFFAOYSA-N -1 1 289.379 2.712 20 0 CFADMM Cc1cscc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826321055 607339076 /nfs/dbraw/zinc/33/90/76/607339076.db2.gz ONXUMWINHBVRAA-UHFFFAOYSA-N -1 1 291.361 2.550 20 0 CFADMM Cc1cscc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826321055 607339078 /nfs/dbraw/zinc/33/90/78/607339078.db2.gz ONXUMWINHBVRAA-UHFFFAOYSA-N -1 1 291.361 2.550 20 0 CFADMM C[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000095160631 598576794 /nfs/dbraw/zinc/57/67/94/598576794.db2.gz NCQUNSSMYMNCMD-SECBINFHSA-N -1 1 292.774 2.542 20 0 CFADMM C[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000095160631 598576795 /nfs/dbraw/zinc/57/67/95/598576795.db2.gz NCQUNSSMYMNCMD-SECBINFHSA-N -1 1 292.774 2.542 20 0 CFADMM CCc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821486378 599408621 /nfs/dbraw/zinc/40/86/21/599408621.db2.gz DTWORAHKZGNRSY-UHFFFAOYSA-N -1 1 269.308 2.634 20 0 CFADMM CCc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821486378 599408623 /nfs/dbraw/zinc/40/86/23/599408623.db2.gz DTWORAHKZGNRSY-UHFFFAOYSA-N -1 1 269.308 2.634 20 0 CFADMM CC(C)Oc1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000820178077 599438687 /nfs/dbraw/zinc/43/86/87/599438687.db2.gz GYGDSUXCPIWUOA-UHFFFAOYSA-N -1 1 299.334 2.859 20 0 CFADMM CC(C)Oc1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000820178077 599438689 /nfs/dbraw/zinc/43/86/89/599438689.db2.gz GYGDSUXCPIWUOA-UHFFFAOYSA-N -1 1 299.334 2.859 20 0 CFADMM CC[C@@H](C)CN(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820870419 599546372 /nfs/dbraw/zinc/54/63/72/599546372.db2.gz SHKGXJISWDYQLO-LLVKDONJSA-N -1 1 296.378 2.897 20 0 CFADMM CC[C@@H](C)CN(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820870419 599546374 /nfs/dbraw/zinc/54/63/74/599546374.db2.gz SHKGXJISWDYQLO-LLVKDONJSA-N -1 1 296.378 2.897 20 0 CFADMM C[C@](O)(CN1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000317251843 600082376 /nfs/dbraw/zinc/08/23/76/600082376.db2.gz GHGCROMXXKWGBM-SFHVURJKSA-N -1 1 297.354 2.608 20 0 CFADMM CCC[C@@](C)(NCC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000036808261 600154552 /nfs/dbraw/zinc/15/45/52/600154552.db2.gz OJDJVPDYSABSBI-CQSZACIVSA-N -1 1 298.770 2.512 20 0 CFADMM C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000724888644 600317184 /nfs/dbraw/zinc/31/71/84/600317184.db2.gz PRDLKZUMFMDGRL-JTQLQIEISA-N -1 1 275.304 2.876 20 0 CFADMM Cc1cccc(CN(C)C(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000900128123 620643630 /nfs/dbraw/zinc/64/36/30/620643630.db2.gz OWBTZVUTQOPZCG-UHFFFAOYSA-N -1 1 297.358 2.640 20 0 CFADMM CC[C@@H](C(=O)Oc1ccc(NC(=O)[O-])cc1)N(CC)CC ZINC000737775096 600893635 /nfs/dbraw/zinc/89/36/35/600893635.db2.gz OVVDVTOIMIHABP-ZDUSSCGKSA-N -1 1 294.351 2.802 20 0 CFADMM C/C(=C\CN(C)[C@@H](C)c1ccccc1F)C(=O)[O-] ZINC000214568436 601051851 /nfs/dbraw/zinc/05/18/51/601051851.db2.gz OMVMIFRLVISUCV-UQSGXBNBSA-N -1 1 251.301 2.849 20 0 CFADMM Cc1noc(C)c1CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000833020704 601204316 /nfs/dbraw/zinc/20/43/16/601204316.db2.gz ACHFGWJRKMZSPO-BONVTDFDSA-N -1 1 288.347 2.843 20 0 CFADMM O=C([O-])[C@@]1(F)CCN(Cc2csc3ccccc23)C1 ZINC000833174887 601449062 /nfs/dbraw/zinc/44/90/62/601449062.db2.gz KJJNZGPVZVYXLF-CQSZACIVSA-N -1 1 279.336 2.900 20 0 CFADMM CC[C@@H]1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000829126395 601497810 /nfs/dbraw/zinc/49/78/10/601497810.db2.gz YHYTVFZALANYBY-VXGBXAGGSA-N -1 1 292.379 2.633 20 0 CFADMM C[C@@H](c1ncc(C(C)(C)C)o1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828425340 601515418 /nfs/dbraw/zinc/51/54/18/601515418.db2.gz YZKGLFRGKJKOSU-OUAUKWLOSA-N -1 1 280.368 2.686 20 0 CFADMM C[C@H]1CN(Cc2csc(C(C)(C)C)n2)C[C@H]1C(=O)[O-] ZINC000251697907 601540892 /nfs/dbraw/zinc/54/08/92/601540892.db2.gz IQUWYWQJLXEKHT-GXSJLCMTSA-N -1 1 282.409 2.593 20 0 CFADMM C[C@H](N(C)CC(=O)Nc1ccsc1C(=O)[O-])C1(C)CC1 ZINC000827603283 601612541 /nfs/dbraw/zinc/61/25/41/601612541.db2.gz LLJISBWCJSILCQ-VIFPVBQESA-N -1 1 296.392 2.505 20 0 CFADMM Cc1ccnc(NCCc2ccc(C(=O)[O-])cc2)c1 ZINC000832984297 601856181 /nfs/dbraw/zinc/85/61/81/601856181.db2.gz PTIVFGYIJJIGFE-UHFFFAOYSA-N -1 1 256.305 2.743 20 0 CFADMM Cn1cc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])s2)cn1 ZINC000313076018 601948977 /nfs/dbraw/zinc/94/89/77/601948977.db2.gz WHOQEQWDVBPOLD-LBPRGKRZSA-N -1 1 291.376 2.517 20 0 CFADMM O=C([O-])c1ccc(CN2CCOC3(CCCCC3)C2)s1 ZINC000833313736 601961002 /nfs/dbraw/zinc/96/10/02/601961002.db2.gz IYYSFJIVWHZYGN-UHFFFAOYSA-N -1 1 295.404 2.981 20 0 CFADMM O=C([O-])c1ccc(OCCN2C[C@H]3CCC[C@H]32)c(Cl)c1 ZINC000833322298 602208215 /nfs/dbraw/zinc/20/82/15/602208215.db2.gz ZVQJFZTWRVPEAU-DGCLKSJQSA-N -1 1 295.766 2.901 20 0 CFADMM Cc1ccc(CNC[C@@H](NC(=O)[O-])c2ccccc2)o1 ZINC000830317201 603178059 /nfs/dbraw/zinc/17/80/59/603178059.db2.gz MWBJLWKKRYANGH-CQSZACIVSA-N -1 1 274.320 2.687 20 0 CFADMM CN(Cc1nc2ccccc2o1)CC(C)(C)CNC(=O)[O-] ZINC000828421271 603548000 /nfs/dbraw/zinc/54/80/00/603548000.db2.gz KSUWVJDAJJSHHR-UHFFFAOYSA-N -1 1 291.351 2.553 20 0 CFADMM CC(C)c1cnc(CN(C)C2CCC(NC(=O)[O-])CC2)o1 ZINC000824476154 603790452 /nfs/dbraw/zinc/79/04/52/603790452.db2.gz GSPAULBKPFAYRN-UHFFFAOYSA-N -1 1 295.383 2.809 20 0 CFADMM CSc1ccc(CN2CC[C@H](N(C)C(=O)[O-])C2)cc1 ZINC000829761039 603820817 /nfs/dbraw/zinc/82/08/17/603820817.db2.gz VOXNLDVGINNSRZ-LBPRGKRZSA-N -1 1 280.393 2.593 20 0 CFADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000825262686 604181822 /nfs/dbraw/zinc/18/18/22/604181822.db2.gz CDVXOFDSKUDLBE-WDEREUQCSA-N -1 1 298.333 2.833 20 0 CFADMM COc1ccc([C@H](C)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000090339618 604331748 /nfs/dbraw/zinc/33/17/48/604331748.db2.gz MXVPWDUMKJAKMX-JTQLQIEISA-N -1 1 275.304 2.837 20 0 CFADMM CC(C)c1csc([C@H]2CCCN(CCNC(=O)[O-])C2)n1 ZINC000824481789 604366374 /nfs/dbraw/zinc/36/63/74/604366374.db2.gz CPVNQMDUVYPRER-NSHDSACASA-N -1 1 297.424 2.714 20 0 CFADMM C[C@H](NC[C@H](NC(=O)[O-])c1ccccc1)c1ccco1 ZINC000825486065 604379385 /nfs/dbraw/zinc/37/93/85/604379385.db2.gz UNBCQYFJIVYADJ-AAEUAGOBSA-N -1 1 274.320 2.939 20 0 CFADMM Cc1cccc(C)c1CN(C)[C@H](COC(C)C)C(=O)[O-] ZINC000832964188 604399484 /nfs/dbraw/zinc/39/94/84/604399484.db2.gz GIPQEPUEORSIAK-OAHLLOKOSA-N -1 1 279.380 2.613 20 0 CFADMM CC(C)[C@](C)(CNC(=O)[O-])NC/C(Cl)=C/Cl ZINC000824064627 604420347 /nfs/dbraw/zinc/42/03/47/604420347.db2.gz NHHVTSRQMCBKOC-PENHIPQLSA-N -1 1 269.172 2.577 20 0 CFADMM CC(C)[C@](C)(CNC(=O)[O-])NC/C(Cl)=C\Cl ZINC000824064625 604420420 /nfs/dbraw/zinc/42/04/20/604420420.db2.gz NHHVTSRQMCBKOC-GOJXHPMJSA-N -1 1 269.172 2.577 20 0 CFADMM C[C@@H](Oc1ccc(CN(C)Cc2ccoc2)cc1)C(=O)[O-] ZINC000833537535 604602948 /nfs/dbraw/zinc/60/29/48/604602948.db2.gz KVGBHYWKYGGTFY-GFCCVEGCSA-N -1 1 289.331 2.764 20 0 CFADMM O=C([O-])c1cc(CN2CCOC3(C2)CCCCCC3)c[nH]1 ZINC000833778529 604672368 /nfs/dbraw/zinc/67/23/68/604672368.db2.gz AICXIFPKEFXTDY-UHFFFAOYSA-N -1 1 292.379 2.638 20 0 CFADMM COc1ccccc1[C@@H](C)N[C@H](C(=O)[O-])c1cccnc1 ZINC000832597521 604973369 /nfs/dbraw/zinc/97/33/69/604973369.db2.gz ZHFWJRIAZCCGAN-ABAIWWIYSA-N -1 1 286.331 2.567 20 0 CFADMM Cc1cnc(CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cn1 ZINC000833754430 605179424 /nfs/dbraw/zinc/17/94/24/605179424.db2.gz ZVKUDXWUOFQULU-HNNXBMFYSA-N -1 1 299.374 2.727 20 0 CFADMM CCC[C@H](C(=O)Nc1ccc(NC(=O)[O-])c(F)c1)N(C)C ZINC000833647959 605318646 /nfs/dbraw/zinc/31/86/46/605318646.db2.gz MMXGQLVOSBBIRP-GFCCVEGCSA-N -1 1 297.330 2.584 20 0 CFADMM O=C([O-])NC1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000834189155 605486842 /nfs/dbraw/zinc/48/68/42/605486842.db2.gz OKCRQKYOHMQNKB-UHFFFAOYSA-N -1 1 295.408 2.643 20 0 CFADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(Cl)o2)C1 ZINC000833811994 605596295 /nfs/dbraw/zinc/59/62/95/605596295.db2.gz GJKKJKRSAOHIDV-VHSXEESVSA-N -1 1 286.759 2.801 20 0 CFADMM O=C([O-])Nc1cccc(CN2CCOC3(CCCC3)C2)c1 ZINC000834268174 605603924 /nfs/dbraw/zinc/60/39/24/605603924.db2.gz GGXMQEKODBCYPG-UHFFFAOYSA-N -1 1 290.363 2.922 20 0 CFADMM O=C([O-])N[C@H]1CCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000834182899 605872750 /nfs/dbraw/zinc/87/27/50/605872750.db2.gz LEIXVYWAAGBRDX-ZANVPECISA-N -1 1 280.755 2.669 20 0 CFADMM Cc1ccc2nc([C@H]3CCCN(C(=O)[O-])C3)[nH]c2c1 ZINC000833907517 605976325 /nfs/dbraw/zinc/97/63/25/605976325.db2.gz LAHUJRADEXJUTG-JTQLQIEISA-N -1 1 259.309 2.729 20 0 CFADMM CC1(CNc2snc(Cl)c2-c2nnn[n-]2)CCC1 ZINC000820623265 606428948 /nfs/dbraw/zinc/42/89/48/606428948.db2.gz KDQOPUJRKLFXEF-UHFFFAOYSA-N -1 1 284.776 2.579 20 0 CFADMM CC1(CNc2snc(Cl)c2-c2nn[n-]n2)CCC1 ZINC000820623265 606428949 /nfs/dbraw/zinc/42/89/49/606428949.db2.gz KDQOPUJRKLFXEF-UHFFFAOYSA-N -1 1 284.776 2.579 20 0 CFADMM Cc1ccc(C)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822231881 606486489 /nfs/dbraw/zinc/48/64/89/606486489.db2.gz KXRBDLFDZIXXHD-UHFFFAOYSA-N -1 1 299.359 2.797 20 0 CFADMM Cc1ccc(C)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822231881 606486491 /nfs/dbraw/zinc/48/64/91/606486491.db2.gz KXRBDLFDZIXXHD-UHFFFAOYSA-N -1 1 299.359 2.797 20 0 CFADMM Fc1cccc(OC/C(Cl)=C/Cl)c1-c1nn[n-]n1 ZINC000826378191 607864754 /nfs/dbraw/zinc/86/47/54/607864754.db2.gz ZEBWPWPAJBRTQT-XQRVVYSFSA-N -1 1 289.097 2.704 20 0 CFADMM Fc1cccc(OC/C(Cl)=C/Cl)c1-c1nnn[n-]1 ZINC000826378191 607864753 /nfs/dbraw/zinc/86/47/53/607864753.db2.gz ZEBWPWPAJBRTQT-XQRVVYSFSA-N -1 1 289.097 2.704 20 0 CFADMM CCOc1ccc(Sc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000825643784 607895484 /nfs/dbraw/zinc/89/54/84/607895484.db2.gz UXTNPXSAQWMMFG-UHFFFAOYSA-N -1 1 299.359 2.812 20 0 CFADMM CCOc1ccc(Sc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000825643784 607895485 /nfs/dbraw/zinc/89/54/85/607895485.db2.gz UXTNPXSAQWMMFG-UHFFFAOYSA-N -1 1 299.359 2.812 20 0 CFADMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@@H]2CCCC[C@H]12 ZINC000824962498 607901570 /nfs/dbraw/zinc/90/15/70/607901570.db2.gz UOFYVHFEJBRRGB-YRGRVCCFSA-N -1 1 298.394 2.667 20 0 CFADMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@@H]2CCCC[C@H]12 ZINC000824962498 607901571 /nfs/dbraw/zinc/90/15/71/607901571.db2.gz UOFYVHFEJBRRGB-YRGRVCCFSA-N -1 1 298.394 2.667 20 0 CFADMM CCc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1F ZINC000825717939 607903106 /nfs/dbraw/zinc/90/31/06/607903106.db2.gz RLBKGDJZJYDEFQ-UHFFFAOYSA-N -1 1 284.298 2.707 20 0 CFADMM CCc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1F ZINC000825717939 607903107 /nfs/dbraw/zinc/90/31/07/607903107.db2.gz RLBKGDJZJYDEFQ-UHFFFAOYSA-N -1 1 284.298 2.707 20 0 CFADMM CC1=CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000824859206 607903608 /nfs/dbraw/zinc/90/36/08/607903608.db2.gz NZLFSUNEGFAGAQ-UHFFFAOYSA-N -1 1 292.346 2.571 20 0 CFADMM CC1=CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000824859206 607903609 /nfs/dbraw/zinc/90/36/09/607903609.db2.gz NZLFSUNEGFAGAQ-UHFFFAOYSA-N -1 1 292.346 2.571 20 0 CFADMM CCCN(CC1CC1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825313625 608191812 /nfs/dbraw/zinc/19/18/12/608191812.db2.gz MEGADIITHDCXDZ-UHFFFAOYSA-N -1 1 298.803 2.603 20 0 CFADMM CCCN(CC1CC1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825313625 608191813 /nfs/dbraw/zinc/19/18/13/608191813.db2.gz MEGADIITHDCXDZ-UHFFFAOYSA-N -1 1 298.803 2.603 20 0 CFADMM Clc1nsc(Sc2ccncc2)c1-c1nnn[n-]1 ZINC000826354878 608192996 /nfs/dbraw/zinc/19/29/96/608192996.db2.gz ZHQUYWQYAGOUOJ-UHFFFAOYSA-N -1 1 296.768 2.523 20 0 CFADMM Clc1nsc(Sc2ccncc2)c1-c1nn[n-]n1 ZINC000826354878 608192998 /nfs/dbraw/zinc/19/29/98/608192998.db2.gz ZHQUYWQYAGOUOJ-UHFFFAOYSA-N -1 1 296.768 2.523 20 0 CFADMM c1cc(CNc2ccc(C3CC3)cc2)cc(-c2nnn[n-]2)n1 ZINC000826516479 608236730 /nfs/dbraw/zinc/23/67/30/608236730.db2.gz MJAILFIMULXSTM-UHFFFAOYSA-N -1 1 292.346 2.751 20 0 CFADMM c1cc(CNc2ccc(C3CC3)cc2)cc(-c2nn[n-]n2)n1 ZINC000826516479 608236732 /nfs/dbraw/zinc/23/67/32/608236732.db2.gz MJAILFIMULXSTM-UHFFFAOYSA-N -1 1 292.346 2.751 20 0 CFADMM Cc1ccc(C(C)C)cc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC000826283559 608388972 /nfs/dbraw/zinc/38/89/72/608388972.db2.gz UMTYDXPHHGRQRP-UHFFFAOYSA-N -1 1 296.334 2.881 20 0 CFADMM Cc1ccc(C(C)C)cc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC000826283559 608388974 /nfs/dbraw/zinc/38/89/74/608388974.db2.gz UMTYDXPHHGRQRP-UHFFFAOYSA-N -1 1 296.334 2.881 20 0 CFADMM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)c2ccccc21 ZINC000824984857 609173200 /nfs/dbraw/zinc/17/32/00/609173200.db2.gz OPGDMNRZBOTMHD-JTQLQIEISA-N -1 1 281.319 2.583 20 0 CFADMM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)c2ccccc21 ZINC000824984857 609173203 /nfs/dbraw/zinc/17/32/03/609173203.db2.gz OPGDMNRZBOTMHD-JTQLQIEISA-N -1 1 281.319 2.583 20 0 CFADMM Cc1ccc2c(c1)N(Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC000826294157 609174085 /nfs/dbraw/zinc/17/40/85/609174085.db2.gz KKZNNQPVYJDGFB-UHFFFAOYSA-N -1 1 297.387 2.799 20 0 CFADMM C[C@@H]1CC[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)[C@H](C)C1 ZINC000900700067 620703319 /nfs/dbraw/zinc/70/33/19/620703319.db2.gz UHXVTRUDVSONAJ-GIPNMCIBSA-N -1 1 289.379 2.614 20 0 CFADMM CC(C)c1cc(C(=O)[N-]c2noc3c2CCCC3)on1 ZINC000900780512 620712565 /nfs/dbraw/zinc/71/25/65/620712565.db2.gz OYYODHHFGDSUCF-UHFFFAOYSA-N -1 1 275.308 2.917 20 0 CFADMM CC[C@H]1CCC[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900804598 620716511 /nfs/dbraw/zinc/71/65/11/620716511.db2.gz FKQUEXOOUWWDIR-CMPLNLGQSA-N -1 1 289.379 2.758 20 0 CFADMM O=C(NCc1ccoc1)c1c([O-])cccc1Cl ZINC000049094829 618078464 /nfs/dbraw/zinc/07/84/64/618078464.db2.gz HZDOYTGOONDYMF-UHFFFAOYSA-N -1 1 251.669 2.569 20 0 CFADMM C[C@]1(C2CC2)COCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000890580261 617672417 /nfs/dbraw/zinc/67/24/17/617672417.db2.gz BSVMRYJYEWIGTF-OAHLLOKOSA-N -1 1 295.766 2.687 20 0 CFADMM Cc1sccc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891612722 617686324 /nfs/dbraw/zinc/68/63/24/617686324.db2.gz AOUCXDWYEPKJMW-UHFFFAOYSA-N -1 1 289.360 2.683 20 0 CFADMM Cc1ccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)s1 ZINC000891630491 617691513 /nfs/dbraw/zinc/69/15/13/617691513.db2.gz HXZGZWMBVVHNAD-UHFFFAOYSA-N -1 1 289.360 2.683 20 0 CFADMM CC(C)(C)n1cc(-c2cc3nc[nH]c3c(C(=O)[O-])c2)cn1 ZINC000901069462 620746862 /nfs/dbraw/zinc/74/68/62/620746862.db2.gz CKGHHMJJHHVJKY-UHFFFAOYSA-N -1 1 284.319 2.880 20 0 CFADMM CC1=CCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC000901202135 620764080 /nfs/dbraw/zinc/76/40/80/620764080.db2.gz AJIOHZQSLKHYSO-UHFFFAOYSA-N -1 1 286.306 2.872 20 0 CFADMM O=C(N[C@H](c1ccncc1)C1CC1)c1ccc([O-])c(F)c1 ZINC000890907834 617943184 /nfs/dbraw/zinc/94/31/84/617943184.db2.gz GSRVKABFBJAGCQ-HNNXBMFYSA-N -1 1 286.306 2.807 20 0 CFADMM CCCC[C@H](CC)C(=O)NCCc1n[n-]c(=S)n1CC ZINC000067075839 617979235 /nfs/dbraw/zinc/97/92/35/617979235.db2.gz RUHVOYHZWYCWNK-NSHDSACASA-N -1 1 298.456 2.836 20 0 CFADMM COc1cnc([C@@H]2CCC[N@@H+]2CCCC2CCC2)[nH]c1=O ZINC000934269387 617981031 /nfs/dbraw/zinc/98/10/31/617981031.db2.gz HABNETRHGDIWTO-ZDUSSCGKSA-N -1 1 291.395 2.908 20 0 CFADMM CC/C=C(\C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000188338023 618301741 /nfs/dbraw/zinc/30/17/41/618301741.db2.gz OTERSXPDSDHSNY-QPJJXVBHSA-N -1 1 285.141 2.845 20 0 CFADMM O=C(CC1CCCC1)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079133 618324822 /nfs/dbraw/zinc/32/48/22/618324822.db2.gz QFGHTZINFFSDTF-UHFFFAOYSA-N -1 1 294.424 2.515 20 0 CFADMM O=C(NCC#Cc1ccccc1)c1c([O-])cccc1Cl ZINC000049346740 618341784 /nfs/dbraw/zinc/34/17/84/618341784.db2.gz UDYILSLJNYEFLO-UHFFFAOYSA-N -1 1 285.730 2.827 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2cnn(CCF)c2)n1 ZINC000901380511 620799376 /nfs/dbraw/zinc/79/93/76/620799376.db2.gz AJLNZPSNYUEUFZ-UHFFFAOYSA-N -1 1 296.371 2.593 20 0 CFADMM CCC1=C(C(=O)[N-]OCc2ccccc2)CCCO1 ZINC000191242102 618399204 /nfs/dbraw/zinc/39/92/04/618399204.db2.gz PNXBTNVOUXFSDL-UHFFFAOYSA-N -1 1 261.321 2.709 20 0 CFADMM CCc1cccc2cc(CN(CC)CC(=O)[O-])oc21 ZINC000901424180 620814384 /nfs/dbraw/zinc/81/43/84/620814384.db2.gz LUMYBGBGKIKJHR-UHFFFAOYSA-N -1 1 261.321 2.902 20 0 CFADMM CO[C@@H](C)COC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000924080558 618614423 /nfs/dbraw/zinc/61/44/23/618614423.db2.gz ZSNWINACIQNJOB-ZETCQYMHSA-N -1 1 284.262 2.692 20 0 CFADMM COCc1nc(NCc2c(C)cccc2C)cc(=O)[n-]1 ZINC000892944233 618776855 /nfs/dbraw/zinc/77/68/55/618776855.db2.gz HZOPOEFRDOFHGB-UHFFFAOYSA-N -1 1 273.336 2.558 20 0 CFADMM C[C@H](C(=O)[N-]OCCC(F)(F)F)c1ccccc1F ZINC000162944002 619087985 /nfs/dbraw/zinc/08/79/85/619087985.db2.gz WSFSEWFTXZYFGE-QMMMGPOBSA-N -1 1 279.233 2.929 20 0 CFADMM C[C@@H]1CNc2c([N-]c3nc4ccc(F)cc4o3)cnn2C1 ZINC000894950101 619517347 /nfs/dbraw/zinc/51/73/47/619517347.db2.gz WLPSZGBXCSPCAB-MRVPVSSYSA-N -1 1 287.298 2.969 20 0 CFADMM O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1c(F)ccc([O-])c1F ZINC000889604308 619536204 /nfs/dbraw/zinc/53/62/04/619536204.db2.gz COXCPJVDRHTVIM-OYNCUSHFSA-N -1 1 267.275 2.589 20 0 CFADMM O=C(NC1CCC1)c1ccc2ccc(O)cc2c1[O-] ZINC000896250918 619705471 /nfs/dbraw/zinc/70/54/71/619705471.db2.gz JIPQEWSYNNVBQG-UHFFFAOYSA-N -1 1 257.289 2.533 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H](O)c1ccccc1 ZINC000182862729 625386810 /nfs/dbraw/zinc/38/68/10/625386810.db2.gz GVGBSCFRRNNUHX-CYBMUJFWSA-N -1 1 277.707 2.718 20 0 CFADMM Cc1nc(C)c(CC(=O)Nc2nc(Cl)ccc2[O-])s1 ZINC000897530079 620217821 /nfs/dbraw/zinc/21/78/21/620217821.db2.gz DMTFOWOJNBPRQB-UHFFFAOYSA-N -1 1 297.767 2.695 20 0 CFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC=C(Cl)C1 ZINC000898201559 620354551 /nfs/dbraw/zinc/35/45/51/620354551.db2.gz KHUFBUBAQUTATK-UHFFFAOYSA-N -1 1 286.158 2.943 20 0 CFADMM O=C(C[C@H]1CCC2(CCC2)O1)Nc1cccc(F)c1[O-] ZINC000899142287 620524682 /nfs/dbraw/zinc/52/46/82/620524682.db2.gz UQRPZNMVUAMMQY-SNVBAGLBSA-N -1 1 279.311 2.962 20 0 CFADMM Cc1[n-]n(-c2cccc(Br)n2)c(=O)c1C(C)C ZINC000899350896 620550290 /nfs/dbraw/zinc/55/02/90/620550290.db2.gz SRMFZJSYFOEJBX-LLVKDONJSA-N -1 1 296.168 2.839 20 0 CFADMM COc1cnc(C=Cc2ccc3c(c2)CCCO3)[n-]c1=O ZINC000899372611 620556638 /nfs/dbraw/zinc/55/66/38/620556638.db2.gz DGPOHXXGZUFTLI-ALCCZGGFSA-N -1 1 284.315 2.686 20 0 CFADMM O=C(NC[C@@H]1CC2(CCC2)CO1)c1c([O-])cccc1Cl ZINC000899427536 620567940 /nfs/dbraw/zinc/56/79/40/620567940.db2.gz MQJJIGZWLCLRIV-JTQLQIEISA-N -1 1 295.766 2.735 20 0 CFADMM C[C@@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1 ZINC000899970425 620618714 /nfs/dbraw/zinc/61/87/14/620618714.db2.gz TWGZGYGEXONWFP-NSHDSACASA-N -1 1 297.358 2.593 20 0 CFADMM COc1ccc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])o1 ZINC000900030747 620625019 /nfs/dbraw/zinc/62/50/19/620625019.db2.gz HLSAZXWFJHYASE-ABAIWWIYSA-N -1 1 289.331 2.840 20 0 CFADMM CCn1cnc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC000900046108 620628907 /nfs/dbraw/zinc/62/89/07/620628907.db2.gz KRZMKCXDALLAEZ-HNNXBMFYSA-N -1 1 287.363 2.517 20 0 CFADMM O=C([O-])c1csc(CN2CCOC3(CCCCC3)C2)c1 ZINC000901467200 620831637 /nfs/dbraw/zinc/83/16/37/620831637.db2.gz PDQFDAAUQOEBRM-UHFFFAOYSA-N -1 1 295.404 2.981 20 0 CFADMM COC(=O)c1c[n-]c(SC[C@@H]2CCCC3(CCC3)O2)n1 ZINC000901535235 620849215 /nfs/dbraw/zinc/84/92/15/620849215.db2.gz OMGUBVZYLZSMKT-JTQLQIEISA-N -1 1 296.392 2.780 20 0 CFADMM C[C@@H]1CN(Cc2cccc(C(=O)[O-])n2)C[C@@H](C)C1(F)F ZINC000901539040 620850238 /nfs/dbraw/zinc/85/02/38/620850238.db2.gz ROEZFJHDDDEXDS-NXEZZACHSA-N -1 1 284.306 2.503 20 0 CFADMM CCc1nocc1CN(CCC(=O)[O-])Cc1ccccc1 ZINC000901561480 620858094 /nfs/dbraw/zinc/85/80/94/620858094.db2.gz OEMPRAOBJRFJHP-UHFFFAOYSA-N -1 1 288.347 2.714 20 0 CFADMM C[C@H](CN(C)Cc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC000901596693 620866013 /nfs/dbraw/zinc/86/60/13/620866013.db2.gz BOYGKCFGXJUMIV-SECBINFHSA-N -1 1 270.398 2.593 20 0 CFADMM CC[C@H](C)[C@H](CN(CC(=O)[O-])Cc1ccccc1)OC ZINC000901569632 620866065 /nfs/dbraw/zinc/86/60/65/620866065.db2.gz LPCTXYBLTMTYMH-ZFWWWQNUSA-N -1 1 279.380 2.634 20 0 CFADMM Cc1nnsc1[C@@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC000901570907 620866453 /nfs/dbraw/zinc/86/64/53/620866453.db2.gz RSOINYOQUJKFFW-SSDOTTSWSA-N -1 1 268.367 2.504 20 0 CFADMM COC(=O)[C@@H]1CCCC[C@@H]1CSc1ncc(C)c(=O)[n-]1 ZINC000901570419 620866665 /nfs/dbraw/zinc/86/66/65/620866665.db2.gz LYCZDXTXHFSDQG-GHMZBOCLSA-N -1 1 296.392 2.562 20 0 CFADMM C[C@H]1C[C@H]1c1ccc(CN[C@H](C(=O)[O-])C(C)(C)C)o1 ZINC000901574071 620867174 /nfs/dbraw/zinc/86/71/74/620867174.db2.gz FWHOSQPRUMEXES-UFGOTCBOSA-N -1 1 265.353 2.992 20 0 CFADMM CC[C@@H](O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901616120 620874151 /nfs/dbraw/zinc/87/41/51/620874151.db2.gz KRPOOFLTLUUEHG-LLVKDONJSA-N -1 1 276.361 2.712 20 0 CFADMM CC[C@@](NCc1ccncc1F)(C(=O)[O-])c1ccccc1 ZINC000901653952 620883342 /nfs/dbraw/zinc/88/33/42/620883342.db2.gz VLZKPOAJUAJGDM-INIZCTEOSA-N -1 1 288.322 2.700 20 0 CFADMM CC[C@H](C)C[C@H](NCc1ccc(-c2cc[nH]n2)o1)C(=O)[O-] ZINC000901682116 620892854 /nfs/dbraw/zinc/89/28/54/620892854.db2.gz NKZIHCHJJYURBL-GWCFXTLKSA-N -1 1 291.351 2.649 20 0 CFADMM O=C([O-])c1cccc2c1CN(Cc1ccco1)CC2 ZINC000901776024 620912749 /nfs/dbraw/zinc/91/27/49/620912749.db2.gz AJEJOCLZAYKKPD-UHFFFAOYSA-N -1 1 257.289 2.536 20 0 CFADMM C[C@@H](NC1CC(OC(C)(C)C)C1)c1ncc(C(=O)[O-])s1 ZINC000901907977 620937811 /nfs/dbraw/zinc/93/78/11/620937811.db2.gz LYENOPUXVGKMBL-XNWIYYODSA-N -1 1 298.408 2.838 20 0 CFADMM O=C([O-])c1cnc(C2CCN(Cc3ccoc3)CC2)s1 ZINC000901931282 620938899 /nfs/dbraw/zinc/93/88/99/620938899.db2.gz KTQRGPWMIHYJMI-UHFFFAOYSA-N -1 1 292.360 2.814 20 0 CFADMM Cc1cc(F)ccc1CN1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000901911734 620938948 /nfs/dbraw/zinc/93/89/48/620938948.db2.gz MNRCSGMFSBRSEF-MRXNPFEDSA-N -1 1 295.329 2.913 20 0 CFADMM C[C@@H]1CN(Cc2csc3ccccc23)C[C@@H](C(=O)[O-])O1 ZINC000901933796 620939255 /nfs/dbraw/zinc/93/92/55/620939255.db2.gz BLPYOTPRXXAVSS-MFKMUULPSA-N -1 1 291.372 2.575 20 0 CFADMM CC(C)(C)c1cnc(C[N@H+]2CCC[C@H]2CC(=O)[O-])s1 ZINC000902009614 620957134 /nfs/dbraw/zinc/95/71/34/620957134.db2.gz HFKJEVDWBZBLOC-JTQLQIEISA-N -1 1 282.409 2.880 20 0 CFADMM CC(C)(C)c1cnc(CN2CCC[C@H]2CC(=O)[O-])s1 ZINC000902009614 620957135 /nfs/dbraw/zinc/95/71/35/620957135.db2.gz HFKJEVDWBZBLOC-JTQLQIEISA-N -1 1 282.409 2.880 20 0 CFADMM O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000902009661 620957261 /nfs/dbraw/zinc/95/72/61/620957261.db2.gz HXPGRXFKIFQGSO-AWEZNQCLSA-N -1 1 285.347 2.516 20 0 CFADMM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1ccc2c(n1)CCC2 ZINC000902019726 620960043 /nfs/dbraw/zinc/96/00/43/620960043.db2.gz QXQXTTTUVHUVFF-HNNXBMFYSA-N -1 1 276.380 2.501 20 0 CFADMM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1scnc1C1CC1 ZINC000902020557 620960210 /nfs/dbraw/zinc/96/02/10/620960210.db2.gz PCQKKCONJWOMFJ-NSHDSACASA-N -1 1 282.409 2.952 20 0 CFADMM O=C([O-])[C@@H]1CCCCCN1Cc1cc2cccnc2o1 ZINC000902033468 620966964 /nfs/dbraw/zinc/96/69/64/620966964.db2.gz FBKGONXANHPRFS-ZDUSSCGKSA-N -1 1 274.320 2.657 20 0 CFADMM Cc1occc1CNCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000902197887 620996264 /nfs/dbraw/zinc/99/62/64/620996264.db2.gz YJVVXWWUCBEPOE-LBPRGKRZSA-N -1 1 289.331 2.730 20 0 CFADMM CC1=CCN(Cc2cn(-c3ccccc3)nc2C(=O)[O-])CC1 ZINC000902282704 621014146 /nfs/dbraw/zinc/01/41/46/621014146.db2.gz SLUHPFXVGDRYHQ-UHFFFAOYSA-N -1 1 297.358 2.723 20 0 CFADMM Cc1cc(F)ccc1CN(C)Cc1cccc(C(=O)[O-])n1 ZINC000902342206 621032990 /nfs/dbraw/zinc/03/29/90/621032990.db2.gz HLUCNRCZSUEPRO-UHFFFAOYSA-N -1 1 288.322 2.859 20 0 CFADMM CCc1oc(CN2CCC[C@@H](OC(C)C)C2)cc1C(=O)[O-] ZINC000902346055 621033983 /nfs/dbraw/zinc/03/39/83/621033983.db2.gz SIFRXTWKESUBKA-GFCCVEGCSA-N -1 1 295.379 2.930 20 0 CFADMM Cc1ccc([C@@H]2CC[N@@H+](Cc3cc(C(=O)[O-])no3)C2)cc1 ZINC000902327211 621037175 /nfs/dbraw/zinc/03/71/75/621037175.db2.gz SJMIIQBDFFVPPP-CYBMUJFWSA-N -1 1 286.331 2.671 20 0 CFADMM Cc1ncc([C@H](C)NCc2ccoc2C(=O)[O-])s1 ZINC000902380072 621049227 /nfs/dbraw/zinc/04/92/27/621049227.db2.gz HFQHMQBFRNKGLT-ZETCQYMHSA-N -1 1 266.322 2.594 20 0 CFADMM Cc1ncc([C@H](C)NCc2cc(C(=O)[O-])oc2C)s1 ZINC000902381432 621058553 /nfs/dbraw/zinc/05/85/53/621058553.db2.gz NCUDJNRUEXIMGV-ZETCQYMHSA-N -1 1 280.349 2.902 20 0 CFADMM Cc1ccc2c(c1)[C@@H](NCc1cc(C(=O)[O-])no1)[C@H](C)C2 ZINC000902418127 621072067 /nfs/dbraw/zinc/07/20/67/621072067.db2.gz MMLFTNMZWXGUSS-BMIGLBTASA-N -1 1 286.331 2.704 20 0 CFADMM O=C([O-])c1cccc(CN2CCC=C(c3ccco3)C2)n1 ZINC000902459445 621095215 /nfs/dbraw/zinc/09/52/15/621095215.db2.gz OMIWOFMCJLMAIA-UHFFFAOYSA-N -1 1 284.315 2.662 20 0 CFADMM Cc1oc(CN2CC[C@@H](OCCC(C)C)C2)cc1C(=O)[O-] ZINC000902490350 621102350 /nfs/dbraw/zinc/10/23/50/621102350.db2.gz SGPPGIOLACSZHA-CYBMUJFWSA-N -1 1 295.379 2.923 20 0 CFADMM CC(C)Cc1ccccc1CN1CCO[C@@H](CC(=O)[O-])C1 ZINC000903602229 621400043 /nfs/dbraw/zinc/40/00/43/621400043.db2.gz PTAZCAMVJHIFFV-INIZCTEOSA-N -1 1 291.391 2.561 20 0 CFADMM CCCCc1noc([C@@H](C)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)n1 ZINC000903631311 621411438 /nfs/dbraw/zinc/41/14/38/621411438.db2.gz PSUVWMCGWMHGAM-IJLUTSLNSA-N -1 1 295.383 2.516 20 0 CFADMM CC(C)c1nc([C@H](C)NCc2ccc(C(=O)[O-])s2)n[nH]1 ZINC000903680622 621417721 /nfs/dbraw/zinc/41/77/21/621417721.db2.gz BHCKCXFXFPETRH-QMMMGPOBSA-N -1 1 294.380 2.539 20 0 CFADMM O=C([O-])C1(CCN2CCOC[C@H]2c2ccccc2)CCC1 ZINC000903695543 621419743 /nfs/dbraw/zinc/41/97/43/621419743.db2.gz BQIYSCIFWWUBHO-HNNXBMFYSA-N -1 1 289.375 2.705 20 0 CFADMM O=C([O-])c1cccc2c1OCC[N@H+]([C@H]1C=CCCC1)C2 ZINC000903921762 621473403 /nfs/dbraw/zinc/47/34/03/621473403.db2.gz RNGUEVZKNSHFEU-ZDUSSCGKSA-N -1 1 273.332 2.688 20 0 CFADMM O=C([O-])c1cccc2c1OCCN([C@H]1C=CCCC1)C2 ZINC000903921762 621473408 /nfs/dbraw/zinc/47/34/08/621473408.db2.gz RNGUEVZKNSHFEU-ZDUSSCGKSA-N -1 1 273.332 2.688 20 0 CFADMM O=C([O-])c1cccc2c1OCC[N@H+]([C@@H]1C=CCCC1)C2 ZINC000903921761 621473520 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ZINC000827447384 624006190 /nfs/dbraw/zinc/00/61/90/624006190.db2.gz BCJYQMHCRDODGJ-GXFFZTMASA-N -1 1 281.327 2.921 20 0 CFADMM O=C(C[C@H]1CC[C@H](C2CC2)O1)Nc1cccc(F)c1[O-] ZINC000827447586 624007131 /nfs/dbraw/zinc/00/71/31/624007131.db2.gz IGSRCOTWKPLWMU-ZWNOBZJWSA-N -1 1 279.311 2.818 20 0 CFADMM Cc1nn(-c2ccccc2)c(C)c1C=C1SC(=O)[N-]C1=O ZINC000915840054 624131266 /nfs/dbraw/zinc/13/12/66/624131266.db2.gz MUXGPKDYQCOGQU-MDWZMJQESA-N -1 1 299.355 2.813 20 0 CFADMM C[C@@H](CSc1nncs1)C(=O)c1ccc([O-])cc1 ZINC000915930214 624190611 /nfs/dbraw/zinc/19/06/11/624190611.db2.gz UESAKKLBARUSMG-QMMMGPOBSA-N -1 1 280.374 2.855 20 0 CFADMM O=C(NOCc1cccnc1)c1ccc2ccccc2c1[O-] ZINC000154109761 624271050 /nfs/dbraw/zinc/27/10/50/624271050.db2.gz MKYSTKOAAWXUIS-UHFFFAOYSA-N -1 1 294.310 2.802 20 0 CFADMM Cc1nc(SCCCc2cccnc2)[n-]c(=O)c1C ZINC000917418963 624338849 /nfs/dbraw/zinc/33/88/49/624338849.db2.gz DRBVTNJISVRDQQ-UHFFFAOYSA-N -1 1 275.377 2.919 20 0 CFADMM CCc1cc(=O)[n-]c(SC[C@H]2CC[C@H](C3CC3)O2)n1 ZINC000917513564 624350815 /nfs/dbraw/zinc/35/08/15/624350815.db2.gz XGXYOHVWLMMJLZ-VXGBXAGGSA-N -1 1 280.393 2.794 20 0 CFADMM CCc1cc(=O)[n-]c(SC[C@@H]2CC[C@@H](C3CC3)O2)n1 ZINC000917513563 624350912 /nfs/dbraw/zinc/35/09/12/624350912.db2.gz XGXYOHVWLMMJLZ-RYUDHWBXSA-N -1 1 280.393 2.794 20 0 CFADMM CC[C@H]1C[C@@H](C)CN1CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829075491 624367022 /nfs/dbraw/zinc/36/70/22/624367022.db2.gz QYNVMQMOYKPKBO-SKDRFNHKSA-N -1 1 292.379 2.633 20 0 CFADMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2Cl)c(=O)o1 ZINC000033367042 624374309 /nfs/dbraw/zinc/37/43/09/624374309.db2.gz WWYSADQHJLXYCR-LMVHVUTASA-N -1 1 290.702 2.568 20 0 CFADMM COC[C@@H](CSc1ncc(C)c(=O)[n-]1)C(C)C ZINC000917777979 624384181 /nfs/dbraw/zinc/38/41/81/624384181.db2.gz NMGLPGJKPDLRNV-JTQLQIEISA-N -1 1 256.371 2.501 20 0 CFADMM CCc1nc(SCc2ccc(Cl)nn2)[n-]c(=O)c1C ZINC000917842375 624389479 /nfs/dbraw/zinc/38/94/79/624389479.db2.gz HNOQGFXUZZRPMU-UHFFFAOYSA-N -1 1 296.783 2.789 20 0 CFADMM Cc1c[nH]nc1CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000918463555 624437373 /nfs/dbraw/zinc/43/73/73/624437373.db2.gz QXOKHASJYWOZEO-UHFFFAOYSA-N -1 1 276.365 2.692 20 0 CFADMM CCC/C=C/C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000919242787 624545188 /nfs/dbraw/zinc/54/51/88/624545188.db2.gz MOKXSDLUAXZMSM-SNAWJCMRSA-N -1 1 288.299 2.898 20 0 CFADMM O=C(NC1([C@H]2CCCCO2)CCC1)c1ccc([O-])cc1F ZINC000830166893 624652205 /nfs/dbraw/zinc/65/22/05/624652205.db2.gz RZVVGAIUULZQKE-CQSZACIVSA-N -1 1 293.338 2.753 20 0 CFADMM O=C(NC[C@@H]1CC1(Cl)Cl)c1c([O-])cccc1Cl ZINC000920445415 624723042 /nfs/dbraw/zinc/72/30/42/624723042.db2.gz FLXNMHSIPVTKJC-LURJTMIESA-N -1 1 294.565 2.969 20 0 CFADMM O=C(CCC[C@@H](O)c1ccccc1)[N-]OCC(F)(F)F ZINC000830444105 624747137 /nfs/dbraw/zinc/74/71/37/624747137.db2.gz VQJHFZBJADLUJX-LLVKDONJSA-N -1 1 291.269 2.500 20 0 CFADMM O=C(CC[C@H]1CC1(Cl)Cl)[N-]OCC(F)(F)F ZINC000830443290 624747353 /nfs/dbraw/zinc/74/73/53/624747353.db2.gz HAYLNGCIRZTJGZ-YFKPBYRVSA-N 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OYIXAEZKBSTEKD-UHFFFAOYSA-N -1 1 295.701 2.874 20 0 CFADMM CCOC1(C(=O)NCc2ccc([O-])c(Cl)c2)CCC1 ZINC000834822434 625880908 /nfs/dbraw/zinc/88/09/08/625880908.db2.gz NVWFTYHFGKXYNO-UHFFFAOYSA-N -1 1 283.755 2.621 20 0 CFADMM CC[C@@H]1CC[C@H](C(=O)NCc2ccc([O-])c(Cl)c2)O1 ZINC000834828872 625887315 /nfs/dbraw/zinc/88/73/15/625887315.db2.gz BXNYOJVWNGFBEH-ZWNOBZJWSA-N -1 1 283.755 2.619 20 0 CFADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000834829625 625891320 /nfs/dbraw/zinc/89/13/20/625891320.db2.gz YDWHWDKYUAWEOO-IWIIMEHWSA-N -1 1 265.740 2.708 20 0 CFADMM O=C(NOCc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000186442483 626090518 /nfs/dbraw/zinc/09/05/18/626090518.db2.gz PLQKBQKHOCYRKR-UHFFFAOYSA-N -1 1 279.242 2.532 20 0 CFADMM Cc1nc(CN2CC[C@@H](C(=O)[O-])C2)sc1C(C)(C)C ZINC000923225707 626458035 /nfs/dbraw/zinc/45/80/35/626458035.db2.gz ZEXWIDKCALJMJR-SNVBAGLBSA-N -1 1 282.409 2.656 20 0 CFADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2ncc(C3CC3)o2)C1 ZINC000923471665 626475068 /nfs/dbraw/zinc/47/50/68/626475068.db2.gz YBGHHFLEYFUNNV-OAHLLOKOSA-N -1 1 278.352 2.629 20 0 CFADMM Cc1cc(C(=O)[N-]c2c(C)onc2OC(F)F)ns1 ZINC000839343706 626534159 /nfs/dbraw/zinc/53/41/59/626534159.db2.gz YQRXGOQEFLURCU-UHFFFAOYSA-N -1 1 289.263 2.602 20 0 CFADMM CN(CCC1CCOCC1)C(=O)c1c([O-])cccc1Cl ZINC000758312637 626588071 /nfs/dbraw/zinc/58/80/71/626588071.db2.gz DFECEWBHAUXDKM-UHFFFAOYSA-N -1 1 297.782 2.934 20 0 CFADMM Cc1ccc(C)c(C(=O)CCC(=O)[N-]OCC(F)F)c1 ZINC000759341223 626647292 /nfs/dbraw/zinc/64/72/92/626647292.db2.gz FLIGVMCMBXQOKV-UHFFFAOYSA-N -1 1 285.290 2.579 20 0 CFADMM C[C@@H]1C[C@H]1c1ccc(CCC(=O)[N-]OCC(F)F)o1 ZINC000759348638 626648780 /nfs/dbraw/zinc/64/87/80/626648780.db2.gz ALUDKEPBRFMOMA-PSASIEDQSA-N -1 1 273.279 2.649 20 0 CFADMM Cc1ccc2c(CCC(=O)[N-]OCC(F)F)c[nH]c2c1 ZINC000759350257 626649249 /nfs/dbraw/zinc/64/92/49/626649249.db2.gz ZNQMUXGPIQTUBY-UHFFFAOYSA-N -1 1 282.290 2.722 20 0 CFADMM Cc1nnc([C@H](C)NC(=O)c2c([O-])cccc2Cl)s1 ZINC000760104760 626714319 /nfs/dbraw/zinc/71/43/19/626714319.db2.gz QNBACRYSABJIBD-LURJTMIESA-N -1 1 297.767 2.697 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CC12CCCC2 ZINC000760591059 626757519 /nfs/dbraw/zinc/75/75/19/626757519.db2.gz WEQDJUFCRFBBMG-LLVKDONJSA-N -1 1 289.379 2.677 20 0 CFADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccc[nH]1 ZINC000760732004 626768032 /nfs/dbraw/zinc/76/80/32/626768032.db2.gz QEOTVCXANREEDD-QMMMGPOBSA-N -1 1 264.712 2.865 20 0 CFADMM COC(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1F ZINC000762415530 626914828 /nfs/dbraw/zinc/91/48/28/626914828.db2.gz IZTLTVGICOBXHF-UHFFFAOYSA-N -1 1 289.262 2.570 20 0 CFADMM CCN(C[C@H]1CCOC1)C(=O)c1c([O-])cccc1Cl ZINC000764020285 627032007 /nfs/dbraw/zinc/03/20/07/627032007.db2.gz BZFCCOVRWFCYCJ-SNVBAGLBSA-N -1 1 283.755 2.544 20 0 CFADMM CC(C)c1ccc(C(=O)Nc2ccnc(CO)c2)c([O-])c1 ZINC000765296418 627129183 /nfs/dbraw/zinc/12/91/83/627129183.db2.gz OWIJYKLYKDOVEJ-UHFFFAOYSA-N -1 1 286.331 2.655 20 0 CFADMM O=C(NCCOCC1CCC1)c1c([O-])cccc1Cl ZINC000765753686 627155967 /nfs/dbraw/zinc/15/59/67/627155967.db2.gz MDNMHUCUELZZAE-UHFFFAOYSA-N -1 1 283.755 2.592 20 0 CFADMM O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1c([O-])cccc1Cl ZINC000765797277 627158619 /nfs/dbraw/zinc/15/86/19/627158619.db2.gz AEEHDUMBQPOGTA-ZWNOBZJWSA-N -1 1 295.766 2.733 20 0 CFADMM O=C(CCc1cccc(C(F)(F)F)c1)[N-]OCC(F)F ZINC000766455431 627204312 /nfs/dbraw/zinc/20/43/12/627204312.db2.gz FHYXUPXQOFMYSA-UHFFFAOYSA-N -1 1 297.223 2.951 20 0 CFADMM O=S(=O)([N-]CCC1CCC1)c1c(F)cccc1Cl ZINC000766514169 627206792 /nfs/dbraw/zinc/20/67/92/627206792.db2.gz QGTPGQQZCKRBNG-UHFFFAOYSA-N -1 1 291.775 2.948 20 0 CFADMM O=C(CCc1cccc(F)c1F)[N-]OCC(F)(F)F ZINC000766763207 627219491 /nfs/dbraw/zinc/21/94/91/627219491.db2.gz CHZKISNIIRXFCI-UHFFFAOYSA-N -1 1 283.196 2.508 20 0 CFADMM COc1ccc([C@H](C)CC(=O)[N-]OCC(F)(F)F)cc1 ZINC000766761794 627219540 /nfs/dbraw/zinc/21/95/40/627219540.db2.gz HAIMLEVWJXENJJ-SECBINFHSA-N -1 1 291.269 2.799 20 0 CFADMM Cc1cccc2c(CC(=O)[N-]OCC(F)(F)F)c[nH]c21 ZINC000766770544 627220124 /nfs/dbraw/zinc/22/01/24/627220124.db2.gz WMUMKLXTKSUHCQ-UHFFFAOYSA-N -1 1 286.253 2.629 20 0 CFADMM Cc1ccc(C(=O)CCC(=O)[N-]OCC(F)(F)F)cc1 ZINC000766774253 627220255 /nfs/dbraw/zinc/22/02/55/627220255.db2.gz CMTVVHMBBNJCKM-UHFFFAOYSA-N -1 1 289.253 2.568 20 0 CFADMM C[C@@H](CC(=O)[N-]OCC(F)(F)F)c1ccccc1F ZINC000766771118 627220349 /nfs/dbraw/zinc/22/03/49/627220349.db2.gz HMALPGFTNXVSEA-QMMMGPOBSA-N -1 1 279.233 2.929 20 0 CFADMM O=C(CCCOc1cccc(F)c1)[N-]OCC(F)(F)F ZINC000766777646 627220385 /nfs/dbraw/zinc/22/03/85/627220385.db2.gz YIAFTNPOCXIEMF-UHFFFAOYSA-N -1 1 295.232 2.595 20 0 CFADMM COc1cccc([C@H](C)CC(=O)[N-]OCC(F)(F)F)c1 ZINC000766783521 627220669 /nfs/dbraw/zinc/22/06/69/627220669.db2.gz FQQZIOCPTYOUGJ-SECBINFHSA-N -1 1 291.269 2.799 20 0 CFADMM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1cncnc1 ZINC000767048758 627232500 /nfs/dbraw/zinc/23/25/00/627232500.db2.gz YMECFHYJADGESX-AATRIKPKSA-N -1 1 295.751 2.543 20 0 CFADMM CC(C)(C)SCCNC(=O)c1ccc([O-])c(F)c1 ZINC000767940029 627297402 /nfs/dbraw/zinc/29/74/02/627297402.db2.gz LHFRFXDHHUDDEW-UHFFFAOYSA-N -1 1 271.357 2.793 20 0 CFADMM COC[C@H]1CCCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000768665580 627362446 /nfs/dbraw/zinc/36/24/46/627362446.db2.gz XHRUTDRAGXIWDK-NSHDSACASA-N -1 1 297.782 2.934 20 0 CFADMM CC(C)Cc1cc(NC(=O)c2ccc([O-])c(F)c2)n[nH]1 ZINC000768706005 627365649 /nfs/dbraw/zinc/36/56/49/627365649.db2.gz FIEGTUPCDCZPFY-UHFFFAOYSA-N -1 1 277.299 2.705 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@H]2COCC[C@@H]21 ZINC000769977966 627493782 /nfs/dbraw/zinc/49/37/82/627493782.db2.gz HQTXERMIBKFHHL-JQWIXIFHSA-N -1 1 295.766 2.687 20 0 CFADMM O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1c([O-])cccc1Cl ZINC000769994844 627495218 /nfs/dbraw/zinc/49/52/18/627495218.db2.gz XPNNWIVKEJYCDI-IRUJWGPZSA-N -1 1 295.766 2.733 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CCOCC12CCCC2 ZINC000770151440 627505171 /nfs/dbraw/zinc/50/51/71/627505171.db2.gz ZMKOGUPGQAJILH-UHFFFAOYSA-N -1 1 295.766 2.831 20 0 CFADMM Cc1cnc([C@H](C)OC(=O)c2c([O-])cc(F)cc2F)o1 ZINC000770961881 627564833 /nfs/dbraw/zinc/56/48/33/627564833.db2.gz KRHMSFVFFFKFNX-ZETCQYMHSA-N -1 1 283.230 2.885 20 0 CFADMM Cc1ccc(COC(=O)c2ccc([O-])cc2F)c(C)n1 ZINC000772240559 627690128 /nfs/dbraw/zinc/69/01/28/627690128.db2.gz UKSFSPFDJYZPLD-UHFFFAOYSA-N -1 1 275.279 2.900 20 0 CFADMM CC(C)(C)c1nc(COC(=O)c2ccc([O-])cc2F)no1 ZINC000773571187 627838322 /nfs/dbraw/zinc/83/83/22/627838322.db2.gz QMKDRODPFCWNMJ-UHFFFAOYSA-N -1 1 294.282 2.569 20 0 CFADMM C[C@H](OC(=O)c1ccc([O-])cc1F)c1cccnc1 ZINC000773567356 627838520 /nfs/dbraw/zinc/83/85/20/627838520.db2.gz KFFVEEGKGBUZFK-VIFPVBQESA-N -1 1 261.252 2.844 20 0 CFADMM C[C@H](OC(=O)c1ccc([O-])cc1F)c1nc(C2CC2)no1 ZINC000773585420 627838825 /nfs/dbraw/zinc/83/88/25/627838825.db2.gz UQJUOKRTFRUTET-ZETCQYMHSA-N -1 1 292.266 2.710 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CCO[C@H](C2CCC2)C1 ZINC000839803399 627963325 /nfs/dbraw/zinc/96/33/25/627963325.db2.gz FEIFOAVYJKOCLC-ZDUSSCGKSA-N -1 1 295.766 2.687 20 0 CFADMM CC[C@H](CSC)NC(=O)c1c([O-])cccc1Cl ZINC000775597891 628043901 /nfs/dbraw/zinc/04/39/01/628043901.db2.gz XDNHXHKVIMUGFW-MRVPVSSYSA-N -1 1 273.785 2.917 20 0 CFADMM CCN1C[C@@H](C)N(C(=O)c2cccc(Cl)c2[O-])C[C@H]1C ZINC000775803926 628070478 /nfs/dbraw/zinc/07/04/78/628070478.db2.gz DUCMRQOGSQWEND-GHMZBOCLSA-N -1 1 296.798 2.600 20 0 CFADMM CCc1noc(C)c1[N-]C(=O)c1ccc(C(OC)OC)o1 ZINC000776358094 628135215 /nfs/dbraw/zinc/13/52/15/628135215.db2.gz YQANFAYBRXPYPV-UHFFFAOYSA-N -1 1 294.307 2.682 20 0 CFADMM CCCCOC(=O)[C@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000776870589 628183424 /nfs/dbraw/zinc/18/34/24/628183424.db2.gz KGYCDSYOTZPIHP-JTQLQIEISA-N -1 1 284.381 2.623 20 0 CFADMM Cc1nc(SCc2nnc(C(C)(C)C)o2)[n-]c(=O)c1C ZINC000776869411 628183472 /nfs/dbraw/zinc/18/34/72/628183472.db2.gz OVFHFWCBAQPRDR-UHFFFAOYSA-N -1 1 294.380 2.772 20 0 CFADMM O=C(OCc1csc(C2CCCCC2)n1)c1cn[n-]n1 ZINC000805606893 628305658 /nfs/dbraw/zinc/30/56/58/628305658.db2.gz OHJANGPQSBEDEH-UHFFFAOYSA-N -1 1 292.364 2.666 20 0 CFADMM CC(C)[C@H]1CN(C(=O)c2c([O-])cccc2Cl)CCO1 ZINC000778484812 628309901 /nfs/dbraw/zinc/30/99/01/628309901.db2.gz DORKRYSMARRTTN-GFCCVEGCSA-N -1 1 283.755 2.543 20 0 CFADMM CC[C@]1(CO)CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000779313317 628372707 /nfs/dbraw/zinc/37/27/07/628372707.db2.gz GALJLNGKHYUZPJ-HNNXBMFYSA-N -1 1 297.782 2.670 20 0 CFADMM O=C(NOC1CCCCC1)c1cc(F)ccc1[O-] ZINC000779319609 628373289 /nfs/dbraw/zinc/37/32/89/628373289.db2.gz BURVFMCITZIADA-UHFFFAOYSA-N -1 1 253.273 2.525 20 0 CFADMM CC(C)[C@H](F)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000784299754 628801807 /nfs/dbraw/zinc/80/18/07/628801807.db2.gz RMDQLQQQMVMQIT-AWEZNQCLSA-N -1 1 294.278 2.536 20 0 CFADMM CCc1ccc(C(=O)Nc2ncccc2C)c([O-])c1 ZINC000786780515 628979091 /nfs/dbraw/zinc/97/90/91/628979091.db2.gz AXVSDNGQWLKQBZ-UHFFFAOYSA-N -1 1 256.305 2.910 20 0 CFADMM COC(=O)c1c[n-]c(S[C@@H]2CCc3ccccc32)n1 ZINC000788505641 629075464 /nfs/dbraw/zinc/07/54/64/629075464.db2.gz NPVZZCCLXQQDKB-GFCCVEGCSA-N -1 1 274.345 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FYUXFQDOPJJDDC-JTQLQIEISA-N -1 1 282.340 2.707 20 0 CFADMM CCCCC[C@H](CCCC)Oc1c(C(N)=O)nc[n-]c1=O ZINC001234471096 778232621 /nfs/dbraw/zinc/23/26/21/778232621.db2.gz BTWVOTINGOXOOD-NSHDSACASA-N -1 1 295.383 2.799 20 0 CFADMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@@H](C)CC(C)C ZINC001234561753 778251838 /nfs/dbraw/zinc/25/18/38/778251838.db2.gz VUJHUCJYXOQPDV-JTQLQIEISA-N -1 1 296.367 2.906 20 0 CFADMM CCC[C@@H](C)Oc1c(=O)[n-]c(C(C)C)nc1C(=O)OC ZINC001234559306 778252185 /nfs/dbraw/zinc/25/21/85/778252185.db2.gz DRIHYRZQCBEHIW-SECBINFHSA-N -1 1 282.340 2.660 20 0 CFADMM CCC[C@H](C)[C@@H](CC)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234560643 778252588 /nfs/dbraw/zinc/25/25/88/778252588.db2.gz GYUPJMOKLJZPSX-GXSJLCMTSA-N -1 1 296.367 2.871 20 0 CFADMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@@H]1CC[C@H](C)C1 ZINC001234559471 778252843 /nfs/dbraw/zinc/25/28/43/778252843.db2.gz FOJVTFHPDPTMJO-VHSXEESVSA-N -1 1 294.351 2.660 20 0 CFADMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001234610449 778264777 /nfs/dbraw/zinc/26/47/77/778264777.db2.gz UIYVYEFHPUXNGR-MYJAWHEDSA-N -1 1 297.326 2.916 20 0 CFADMM COC(=O)c1cc(F)c(=O)[n-]c1OC(C(C)C)C(C)C ZINC001234610472 778265468 /nfs/dbraw/zinc/26/54/68/778265468.db2.gz UPACQRSDDQKCRK-UHFFFAOYSA-N -1 1 285.315 2.772 20 0 CFADMM C[C@H]1COCCN(Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142647131 778550470 /nfs/dbraw/zinc/55/04/70/778550470.db2.gz PPJJOSPHMXGTBU-SNVBAGLBSA-N -1 1 283.755 2.507 20 0 CFADMM C[C@H](OCC[P@](=O)([O-])O)c1cccc(Cl)c1 ZINC001224602728 778597242 /nfs/dbraw/zinc/59/72/42/778597242.db2.gz SSQOWEBFYHQICY-QMMMGPOBSA-N -1 1 264.645 2.595 20 0 CFADMM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3ccc(F)c(Cl)c3)C[C@@H]21 ZINC000721266155 778597362 /nfs/dbraw/zinc/59/73/62/778597362.db2.gz JGIMBFSSVPTZOB-GBIKHYSHSA-N -1 1 283.730 2.632 20 0 CFADMM O=c1oc2cc([O-])ccc2cc1Nc1ccncc1Cl ZINC001212151455 778755562 /nfs/dbraw/zinc/75/55/62/778755562.db2.gz YHHYPDJMPZSKDI-UHFFFAOYSA-N -1 1 288.690 2.713 20 0 CFADMM COC(=O)c1cnc(-c2c(F)ccc(C)c2[O-])cc1OC ZINC001236388987 778797895 /nfs/dbraw/zinc/79/78/95/778797895.db2.gz DAOGRCGMAQXPMV-UHFFFAOYSA-N -1 1 291.278 2.697 20 0 CFADMM CCNC(=O)c1cccnc1-c1c(F)ccc(C)c1[O-] ZINC001236391093 778799907 /nfs/dbraw/zinc/79/99/07/778799907.db2.gz MATPSUASBWAWJE-UHFFFAOYSA-N -1 1 274.295 2.651 20 0 CFADMM Cc1ccc(F)c(-c2ccnc(N3CCCC3)n2)c1[O-] ZINC001236392150 778800070 /nfs/dbraw/zinc/80/00/70/778800070.db2.gz QBEDIBHWSVDHLD-UHFFFAOYSA-N -1 1 273.311 2.897 20 0 CFADMM COc1nc(-c2c(F)ccc(C)c2[O-])cn2ccnc12 ZINC001236406468 778804878 /nfs/dbraw/zinc/80/48/78/778804878.db2.gz USYPPYIMCVERLA-UHFFFAOYSA-N -1 1 273.267 2.558 20 0 CFADMM CC(C)(C)[C@@H]1CCN1C(=O)c1ccc([O-])cc1F ZINC001120764880 778975629 /nfs/dbraw/zinc/97/56/29/778975629.db2.gz JHRGHWXFCGXXAG-LBPRGKRZSA-N -1 1 251.301 2.792 20 0 CFADMM CN1CCOc2cc(Nc3c([O-])cc(F)cc3F)cnc21 ZINC001203489562 779093782 /nfs/dbraw/zinc/09/37/82/779093782.db2.gz MWIQZKHOEVYFLR-UHFFFAOYSA-N -1 1 293.273 2.638 20 0 CFADMM Nc1cccc([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001237602501 779140591 /nfs/dbraw/zinc/14/05/91/779140591.db2.gz APPQGPNPQIALFL-UHFFFAOYSA-N -1 1 288.328 2.816 20 0 CFADMM Cc1cc(C(=O)[O-])ccc1CN1CC2(C1)C[C@@H](F)CS2 ZINC001238146442 779262564 /nfs/dbraw/zinc/26/25/64/779262564.db2.gz WUUQYMYOSURKJS-CYBMUJFWSA-N -1 1 295.379 2.723 20 0 CFADMM C[C@H]1C[C@@H](CF)N(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC001238234856 779287275 /nfs/dbraw/zinc/28/72/75/779287275.db2.gz YIKGBUYANCVIFI-CABZTGNLSA-N -1 1 269.291 2.704 20 0 CFADMM O=C([O-])c1cc(F)ccc1CN1CC(c2cccnc2)C1 ZINC001238236133 779287389 /nfs/dbraw/zinc/28/73/89/779287389.db2.gz GGVVSOWMTGVGTJ-UHFFFAOYSA-N -1 1 286.306 2.518 20 0 CFADMM CN(CCF)Cc1c(Br)ccc([O-])c1F ZINC001238308007 779291745 /nfs/dbraw/zinc/29/17/45/779291745.db2.gz AENDVGFITVTQTI-UHFFFAOYSA-N -1 1 280.112 2.695 20 0 CFADMM Cc1cc2c(c(-c3ccc(C4CC4)cc3)n1)C(=O)[N-]C2=O ZINC001238830328 779401156 /nfs/dbraw/zinc/40/11/56/779401156.db2.gz AVUPHCMKIPEUMG-UHFFFAOYSA-N -1 1 278.311 2.818 20 0 CFADMM CN(C)Cc1ccc(-c2ccc(C(=O)[O-])cc2F)nc1 ZINC001239250292 779483728 /nfs/dbraw/zinc/48/37/28/779483728.db2.gz ONCDGTUOFUNKCP-UHFFFAOYSA-N -1 1 274.295 2.648 20 0 CFADMM CCCCCC[C@H](CC)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001123869492 779492382 /nfs/dbraw/zinc/49/23/82/779492382.db2.gz QHEQAJPLBPZYSE-STQMWFEESA-N -1 1 293.415 2.512 20 0 CFADMM O=C1Cc2cc(/C=C/c3ccccc3)ccc2C(=O)[N-]1 ZINC001239593105 779648287 /nfs/dbraw/zinc/64/82/87/779648287.db2.gz NQWMQXDZKYTJMA-VOTSOKGWSA-N -1 1 263.296 2.670 20 0 CFADMM [O-]c1cc(Nc2cnn([C@@H]3CCOC3)c2)cc(F)c1F ZINC001205198952 779880256 /nfs/dbraw/zinc/88/02/56/779880256.db2.gz KVMRSDOVPHXAQL-SNVBAGLBSA-N -1 1 281.262 2.572 20 0 CFADMM CCOC(=O)c1nc2cc(-c3c(C)n[nH]c3C)ccc2[n-]1 ZINC001240128629 779953478 /nfs/dbraw/zinc/95/34/78/779953478.db2.gz NIPRHKRXLJWOGL-UHFFFAOYSA-N -1 1 284.319 2.747 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3c(C)n[nH]c3C)cc2[n-]1 ZINC001240128629 779953484 /nfs/dbraw/zinc/95/34/84/779953484.db2.gz NIPRHKRXLJWOGL-UHFFFAOYSA-N -1 1 284.319 2.747 20 0 CFADMM CC(C)(C)OC(=O)N1CCCC(=Nc2ncccc2[O-])C1 ZINC001205229215 779980073 /nfs/dbraw/zinc/98/00/73/779980073.db2.gz MGWCILIJYSJNPX-UHFFFAOYSA-N -1 1 291.351 2.724 20 0 CFADMM Cc1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1C ZINC001239716090 780105710 /nfs/dbraw/zinc/10/57/10/780105710.db2.gz FQSYNOHBJVBWPK-UHFFFAOYSA-N -1 1 251.293 2.546 20 0 CFADMM Cc1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1C ZINC001239716090 780105716 /nfs/dbraw/zinc/10/57/16/780105716.db2.gz FQSYNOHBJVBWPK-UHFFFAOYSA-N -1 1 251.293 2.546 20 0 CFADMM O=C1Cc2cc(-c3ccc4occc4c3)ccc2C(=O)[N-]1 ZINC001240426413 780157560 /nfs/dbraw/zinc/15/75/60/780157560.db2.gz AWGDUQSJJYBUAI-UHFFFAOYSA-N -1 1 277.279 2.912 20 0 CFADMM c1cc2cc(-c3ccc(-c4nnn[n-]4)nc3)ccc2o1 ZINC001240426257 780157582 /nfs/dbraw/zinc/15/75/82/780157582.db2.gz UBJMCDKZEMJCTP-UHFFFAOYSA-N -1 1 263.260 2.675 20 0 CFADMM c1cc2cc(-c3ccc(-c4nn[n-]n4)nc3)ccc2o1 ZINC001240426257 780157585 /nfs/dbraw/zinc/15/75/85/780157585.db2.gz UBJMCDKZEMJCTP-UHFFFAOYSA-N -1 1 263.260 2.675 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3cccc(C)c3F)no2)n[n-]1 ZINC001212429128 780172282 /nfs/dbraw/zinc/17/22/82/780172282.db2.gz AYFGHWIMGRZULV-UHFFFAOYSA-N -1 1 286.266 2.777 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3cccc(C)c3F)no2)[n-]n1 ZINC001212429128 780172286 /nfs/dbraw/zinc/17/22/86/780172286.db2.gz AYFGHWIMGRZULV-UHFFFAOYSA-N -1 1 286.266 2.777 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccc(C)cc3F)no2)n[n-]1 ZINC001212430036 780175438 /nfs/dbraw/zinc/17/54/38/780175438.db2.gz WVNGMRYNCXHGHZ-UHFFFAOYSA-N -1 1 286.266 2.777 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccc(C)cc3F)no2)[n-]n1 ZINC001212430036 780175444 /nfs/dbraw/zinc/17/54/44/780175444.db2.gz WVNGMRYNCXHGHZ-UHFFFAOYSA-N -1 1 286.266 2.777 20 0 CFADMM FC(F)c1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001240690904 780363078 /nfs/dbraw/zinc/36/30/78/780363078.db2.gz FPICUKWOAOIERW-UHFFFAOYSA-N -1 1 273.246 2.866 20 0 CFADMM FC(F)c1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001240690904 780363090 /nfs/dbraw/zinc/36/30/90/780363090.db2.gz FPICUKWOAOIERW-UHFFFAOYSA-N -1 1 273.246 2.866 20 0 CFADMM CC1(C)OC(=O)c2c1ccnc2-c1cc(F)ccc1[O-] ZINC001240693750 780364977 /nfs/dbraw/zinc/36/49/77/780364977.db2.gz XYNVCIQIIVYHHH-UHFFFAOYSA-N -1 1 273.263 2.999 20 0 CFADMM CCO/C=C\c1nccnc1-c1cc(F)ccc1[O-] ZINC001240695556 780367097 /nfs/dbraw/zinc/36/70/97/780367097.db2.gz MAANTSPVHLBJSG-YVMONPNESA-N -1 1 260.268 2.996 20 0 CFADMM [O-]c1ccc(F)cc1-c1cc(N2CCSCC2)ncn1 ZINC001240696414 780367464 /nfs/dbraw/zinc/36/74/64/780367464.db2.gz PIPUTSWFWGCHBH-UHFFFAOYSA-N -1 1 291.351 2.542 20 0 CFADMM CCOC(=O)c1cnc(CC)nc1-c1cc(F)ccc1[O-] ZINC001240696147 780367776 /nfs/dbraw/zinc/36/77/76/780367776.db2.gz CZJSREQPTWUTNO-UHFFFAOYSA-N -1 1 290.294 2.727 20 0 CFADMM Cc1c(C)c(-n2ccnc2)nnc1-c1cc(F)ccc1[O-] ZINC001240696119 780368362 /nfs/dbraw/zinc/36/83/62/780368362.db2.gz BMZVXCSKASRHNG-UHFFFAOYSA-N -1 1 284.294 2.791 20 0 CFADMM [O-]c1ccc(F)cc1-c1ccc(OC(F)F)nn1 ZINC001240696504 780368384 /nfs/dbraw/zinc/36/83/84/780368384.db2.gz QHNUHKCKZDAHAY-UHFFFAOYSA-N -1 1 256.183 2.590 20 0 CFADMM [O-]c1cccnc1-c1nc(-c2ncccc2C2CC2)no1 ZINC001212482971 780396693 /nfs/dbraw/zinc/39/66/93/780396693.db2.gz YRVBLEOXPDAMON-UHFFFAOYSA-N -1 1 280.287 2.777 20 0 CFADMM CCO/C=C\c1nccnc1-c1ccc([O-])c(F)c1 ZINC001240782490 780436068 /nfs/dbraw/zinc/43/60/68/780436068.db2.gz DUXIKSCQBPMHPA-YVMONPNESA-N -1 1 260.268 2.996 20 0 CFADMM Cc1cc(NC2CC2)nc(-c2ccc([O-])c(F)c2)n1 ZINC001240782670 780436391 /nfs/dbraw/zinc/43/63/91/780436391.db2.gz FFZIAJFBTXVVEP-UHFFFAOYSA-N -1 1 259.284 2.871 20 0 CFADMM O=C([O-])Cc1ccc(-c2nccc3[nH]ccc32)cc1 ZINC001240971803 780560451 /nfs/dbraw/zinc/56/04/51/780560451.db2.gz JUTVBCDKFZZXEI-UHFFFAOYSA-N -1 1 252.273 2.857 20 0 CFADMM CCOC(=O)c1cccnc1-c1c(F)cc([O-])cc1F ZINC001241117423 780646222 /nfs/dbraw/zinc/64/62/22/780646222.db2.gz NYZZIZCTKIJYHH-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM CCOC(=O)c1cc(-c2c(F)cc([O-])cc2F)ccn1 ZINC001241120982 780649519 /nfs/dbraw/zinc/64/95/19/780649519.db2.gz WBHJTJHKCQRXQQ-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM NC(=O)c1cccc(-c2c(F)cc([O-])cc2F)c1F ZINC001241120974 780650019 /nfs/dbraw/zinc/65/00/19/780650019.db2.gz VUKJHDSYWBFTMT-UHFFFAOYSA-N -1 1 267.206 2.575 20 0 CFADMM [O-]c1cc(F)c(-c2ccc(N3CCOCC3)nc2)c(F)c1 ZINC001241122739 780652315 /nfs/dbraw/zinc/65/23/15/780652315.db2.gz XSZLJSAXPBJRFS-UHFFFAOYSA-N -1 1 292.285 2.569 20 0 CFADMM COC(=O)c1nc(OC)ccc1-c1c(F)cc([O-])cc1F ZINC001241122955 780652431 /nfs/dbraw/zinc/65/24/31/780652431.db2.gz PMVIDDLKFCCPJQ-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM CCOc1ccc(-c2nc(C)cc3c2C(=O)[N-]C3=O)cc1C ZINC001241196236 780698276 /nfs/dbraw/zinc/69/82/76/780698276.db2.gz FWTMXAGDRMJVNH-UHFFFAOYSA-N -1 1 296.326 2.648 20 0 CFADMM COC(=O)c1cccc2nc(-c3cc([O-])cc(F)c3)ncc21 ZINC001241255884 780737176 /nfs/dbraw/zinc/73/71/76/780737176.db2.gz GNZQTTJRLPARAA-UHFFFAOYSA-N -1 1 298.273 2.928 20 0 CFADMM COC(=O)c1ccc2nc(-c3cc([O-])cc(F)c3)ncc2c1 ZINC001241257984 780738823 /nfs/dbraw/zinc/73/88/23/780738823.db2.gz RDMYCYVGLUQMOA-UHFFFAOYSA-N -1 1 298.273 2.928 20 0 CFADMM CC(C)n1cnc2cnc(-c3cc([O-])cc(F)c3)nc21 ZINC001241261780 780740906 /nfs/dbraw/zinc/74/09/06/780740906.db2.gz QMTQGBXYZTVUKA-UHFFFAOYSA-N -1 1 272.283 2.919 20 0 CFADMM COC(=O)c1c(C)ccnc1-c1c(F)ccc([O-])c1F ZINC001241291897 780762902 /nfs/dbraw/zinc/76/29/02/780762902.db2.gz WKWLWKLZRICJLR-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM COC(=O)c1ccc(OC)c(-c2c(F)ccc([O-])c2F)n1 ZINC001241293555 780765155 /nfs/dbraw/zinc/76/51/55/780765155.db2.gz WFDCCPJRPLXXNN-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM CC(C)Cn1cc(-c2c(F)ccc([O-])c2F)ncc1=O ZINC001241294282 780765166 /nfs/dbraw/zinc/76/51/66/780765166.db2.gz PBLIEZCRJGWLSM-UHFFFAOYSA-N -1 1 280.274 2.550 20 0 CFADMM COc1ccc(F)nc1-c1c(F)ccc([O-])c1F ZINC001241295377 780765954 /nfs/dbraw/zinc/76/59/54/780765954.db2.gz OYOHFNXXLRHQME-UHFFFAOYSA-N -1 1 255.195 2.880 20 0 CFADMM CN(C)Cc1ccc(-c2cccc(C(=O)[O-])c2)nc1 ZINC001241358475 780809213 /nfs/dbraw/zinc/80/92/13/780809213.db2.gz QDUDGSADTCKKNB-UHFFFAOYSA-N -1 1 256.305 2.508 20 0 CFADMM CCc1cccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1 ZINC001241549322 780970725 /nfs/dbraw/zinc/97/07/25/780970725.db2.gz JWWFTBZEOPEKBB-UHFFFAOYSA-N -1 1 265.312 2.729 20 0 CFADMM CCCc1ccc(-c2nc(C)cc3c2C(=O)[N-]C3=O)cc1 ZINC001241688726 781073240 /nfs/dbraw/zinc/07/32/40/781073240.db2.gz MPGPUMAQQVNADS-UHFFFAOYSA-N -1 1 280.327 2.893 20 0 CFADMM O=C1Cc2ccc(-c3cc(C(F)(F)F)ccc3[O-])nc2N1 ZINC001242131685 781295827 /nfs/dbraw/zinc/29/58/27/781295827.db2.gz OLDPDIASSFMSOS-UHFFFAOYSA-N -1 1 294.232 2.968 20 0 CFADMM O=c1c(-c2ccc(F)cc2[O-])cccn1-c1cccnc1 ZINC001242219679 781334204 /nfs/dbraw/zinc/33/42/04/781334204.db2.gz LKBYMJSHUCIIQS-UHFFFAOYSA-N -1 1 282.274 2.744 20 0 CFADMM COC(=O)c1nc2[nH]ccc2cc1-c1ccc(F)cc1[O-] ZINC001242221811 781336445 /nfs/dbraw/zinc/33/64/45/781336445.db2.gz OUCCBPUJRSIJGT-UHFFFAOYSA-N -1 1 286.262 2.813 20 0 CFADMM COc1cc2[nH]cnc2cc1-c1cccc(CC(=O)[O-])c1 ZINC001242264268 781349258 /nfs/dbraw/zinc/34/92/58/781349258.db2.gz WNYKIUHWYQPNQH-UHFFFAOYSA-N -1 1 282.299 2.866 20 0 CFADMM Cc1cc2[nH]ncc2cc1-c1cccc(S(=O)(=O)[O-])c1 ZINC001242285366 781366977 /nfs/dbraw/zinc/36/69/77/781366977.db2.gz SHRTYCZAVRTPFA-UHFFFAOYSA-N -1 1 288.328 2.785 20 0 CFADMM Cc1cccc(-c2nc(C(C)C)nc(N(C)C)n2)c1[O-] ZINC001242344608 781417240 /nfs/dbraw/zinc/41/72/40/781417240.db2.gz PRVGARJAVKFNFD-UHFFFAOYSA-N -1 1 272.352 2.742 20 0 CFADMM CCOC(=O)c1cc2cnc(-c3cccc(C)c3[O-])nc2[nH]1 ZINC001242344671 781417449 /nfs/dbraw/zinc/41/74/49/781417449.db2.gz TYIHXPUPVKFESX-UHFFFAOYSA-N -1 1 297.314 2.767 20 0 CFADMM O=c1c(-c2cccc(F)c2[O-])ccnn1Cc1ccccc1 ZINC001242352708 781426331 /nfs/dbraw/zinc/42/63/31/781426331.db2.gz OBCSYYSVGMDLRB-UHFFFAOYSA-N -1 1 296.301 2.803 20 0 CFADMM O=C1NCc2ccc(-c3cccc(Cl)c3[O-])cc21 ZINC001242364086 781437574 /nfs/dbraw/zinc/43/75/74/781437574.db2.gz AUFUMWVTQATRGN-UHFFFAOYSA-N -1 1 259.692 2.956 20 0 CFADMM O=C1Cc2c(cncc2-c2cccc(Cl)c2[O-])N1 ZINC001242366279 781438755 /nfs/dbraw/zinc/43/87/55/781438755.db2.gz VAENAXGRVBHOGT-UHFFFAOYSA-N -1 1 260.680 2.602 20 0 CFADMM NC(=O)c1ccc(F)cc1-c1cccc(Cl)c1[O-] ZINC001242367516 781439672 /nfs/dbraw/zinc/43/96/72/781439672.db2.gz OALNAHZBMCSQTQ-UHFFFAOYSA-N -1 1 265.671 2.951 20 0 CFADMM O=C1Cc2cc(-c3cccc4ccncc43)ccc2C(=O)[N-]1 ZINC001242373464 781442582 /nfs/dbraw/zinc/44/25/82/781442582.db2.gz YXKYYJDAUPECCI-UHFFFAOYSA-N -1 1 288.306 2.714 20 0 CFADMM O=C([O-])c1cccc(-c2cccn3cncc23)c1F ZINC001242379640 781448024 /nfs/dbraw/zinc/44/80/24/781448024.db2.gz IKLFJKAXHRFLQL-UHFFFAOYSA-N -1 1 256.236 2.839 20 0 CFADMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(-c2ccn(C)n2)cc1 ZINC001242461413 781516467 /nfs/dbraw/zinc/51/64/67/781516467.db2.gz JSCAEMPOOAFKJS-VIFPVBQESA-N -1 1 297.280 2.827 20 0 CFADMM CCN(C)c1ccnc(-c2cccc([O-])c2Cl)n1 ZINC001242799139 781764393 /nfs/dbraw/zinc/76/43/93/781764393.db2.gz VWSRDWYBNLYVLX-UHFFFAOYSA-N -1 1 263.728 2.959 20 0 CFADMM COC(=O)c1cccnc1-c1cccc([O-])c1Cl ZINC001242799195 781764735 /nfs/dbraw/zinc/76/47/35/781764735.db2.gz YOOMQDMGNYKUHN-UHFFFAOYSA-N -1 1 263.680 2.894 20 0 CFADMM O=c1[nH]c(=O)c2cc(-c3cccc([O-])c3Cl)ccc2o1 ZINC001242800396 781765115 /nfs/dbraw/zinc/76/51/15/781765115.db2.gz HOSNMPNFHKHWBP-UHFFFAOYSA-N -1 1 289.674 2.920 20 0 CFADMM Cc1nc2cnc(-c3cccc([O-])c3Cl)nc2[nH]1 ZINC001242800857 781765388 /nfs/dbraw/zinc/76/53/88/781765388.db2.gz LFCARBKORWEAJK-UHFFFAOYSA-N -1 1 260.684 2.639 20 0 CFADMM CNS(=O)(=O)c1ccc(-c2cccc([O-])c2Cl)cc1 ZINC001242799295 781766218 /nfs/dbraw/zinc/76/62/18/781766218.db2.gz DIADKAQTUMLIKI-UHFFFAOYSA-N -1 1 297.763 2.621 20 0 CFADMM CCOc1cc(-c2cccc([O-])c2Cl)ncn1 ZINC001242800852 781766245 /nfs/dbraw/zinc/76/62/45/781766245.db2.gz KGZSYTWSQSIWPJ-UHFFFAOYSA-N -1 1 250.685 2.901 20 0 CFADMM COC(=O)c1ccncc1-c1cccc([O-])c1Cl ZINC001242800731 781766359 /nfs/dbraw/zinc/76/63/59/781766359.db2.gz RZJVOSAZYXNECM-UHFFFAOYSA-N -1 1 263.680 2.894 20 0 CFADMM Cc1cc(-c2cccc([O-])c2Cl)cnc1S(C)(=O)=O ZINC001242802569 781767093 /nfs/dbraw/zinc/76/70/93/781767093.db2.gz BYYRUDIGZDFDHG-UHFFFAOYSA-N -1 1 297.763 2.820 20 0 CFADMM Cc1nccn1-c1ccc(-c2cccc([O-])c2Cl)nn1 ZINC001242801747 781767528 /nfs/dbraw/zinc/76/75/28/781767528.db2.gz XMDVYCJTFNHAOX-UHFFFAOYSA-N -1 1 286.722 2.997 20 0 CFADMM NC(=O)c1ccc(F)cc1-c1cccc([O-])c1Cl ZINC001242801899 781767583 /nfs/dbraw/zinc/76/75/83/781767583.db2.gz FTNHYNMVJOLHQE-UHFFFAOYSA-N -1 1 265.671 2.951 20 0 CFADMM CN(C)C(=O)c1ccnc(-c2cccc([O-])c2Cl)c1 ZINC001242801493 781767850 /nfs/dbraw/zinc/76/78/50/781767850.db2.gz RWSKTPRCSCQVNA-UHFFFAOYSA-N -1 1 276.723 2.809 20 0 CFADMM O=C1NCCc2cccc(-c3cccc([O-])c3Cl)c21 ZINC001242801571 781767947 /nfs/dbraw/zinc/76/79/47/781767947.db2.gz AQOGYIPGBBUQFD-UHFFFAOYSA-N -1 1 273.719 2.999 20 0 CFADMM CC[C@H]1CCCC[C@H]1Oc1nc(C)[n-]c(=O)c1OC ZINC001230021694 781843999 /nfs/dbraw/zinc/84/39/99/781843999.db2.gz OHHNJCLQFAXHFA-WDEREUQCSA-N -1 1 266.341 2.847 20 0 CFADMM C[C@@H](C(=O)[O-])N1CCc2c(cccc2C(F)(F)F)C1 ZINC000082791465 178296638 /nfs/dbraw/zinc/29/66/38/178296638.db2.gz CTQQKYJQPQFYAU-QMMMGPOBSA-N -1 1 273.254 2.537 20 0 CFADMM CC[C@@H](C)C(=O)N1CCC(c2n[n-]c(=S)n2CC)CC1 ZINC000068453464 346853462 /nfs/dbraw/zinc/85/34/62/346853462.db2.gz VBUSXWCNCXLPLD-SNVBAGLBSA-N -1 1 296.440 2.713 20 0 CFADMM CCc1nc(CNCc2ccccc2C)ccc1C(=O)[O-] ZINC000426659693 529740243 /nfs/dbraw/zinc/74/02/43/529740243.db2.gz IANJSSRSPYUKSE-UHFFFAOYSA-N -1 1 284.359 2.940 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H](O)CC1 ZINC000295065187 199327117 /nfs/dbraw/zinc/32/71/17/199327117.db2.gz YLZIDDLMTMNTIR-CQSZACIVSA-N -1 1 285.343 2.532 20 0 CFADMM O=C([O-])c1sccc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000104342315 539353775 /nfs/dbraw/zinc/35/37/75/539353775.db2.gz OPQYMMUCYAOOIM-RYUDHWBXSA-N -1 1 281.377 2.590 20 0 CFADMM COc1ccc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c(O)c1 ZINC000443564320 539380961 /nfs/dbraw/zinc/38/09/61/539380961.db2.gz ZUHWNYPPRSWUOZ-SRVKXCTJSA-N -1 1 292.379 2.601 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC2(C1)CCOCC2 ZINC000075541394 347083328 /nfs/dbraw/zinc/08/33/28/347083328.db2.gz FHCHKRXAFZPYOL-UHFFFAOYSA-N -1 1 295.766 2.688 20 0 CFADMM O=C(NCCCOc1ccccc1)c1c([O-])cccc1F ZINC000163685797 232257937 /nfs/dbraw/zinc/25/79/37/232257937.db2.gz AITMHQVTBJJLOJ-UHFFFAOYSA-N -1 1 289.306 2.730 20 0 CFADMM O=C(NCCCc1ccccc1)c1c([O-])cccc1F ZINC000163585783 232258327 /nfs/dbraw/zinc/25/83/27/232258327.db2.gz WZTIIXKZKMPXAO-UHFFFAOYSA-N -1 1 273.307 2.894 20 0 CFADMM Cc1cc(-c2nc(=O)c3sccc3[n-]2)cc(C)c1O ZINC000172997048 232272267 /nfs/dbraw/zinc/27/22/67/232272267.db2.gz KNZZRQFRMPMMOZ-UHFFFAOYSA-N -1 1 272.329 2.974 20 0 CFADMM Cc1ccc(C(=O)Nc2nncn2-c2ccccc2)c([O-])c1 ZINC000179698391 232398665 /nfs/dbraw/zinc/39/86/65/232398665.db2.gz GNYVAFKDFUSNDW-UHFFFAOYSA-N -1 1 294.314 2.534 20 0 CFADMM COc1ccc(CN2CCC(CC(=O)[O-])CC2)cc1F ZINC000049877793 346487046 /nfs/dbraw/zinc/48/70/46/346487046.db2.gz GEDJYTJDBPNAFY-UHFFFAOYSA-N -1 1 281.327 2.521 20 0 CFADMM Cc1noc(C)c1[N-]C(=O)c1c(F)cccc1F ZINC000063447317 346700635 /nfs/dbraw/zinc/70/06/35/346700635.db2.gz HWRNZKMTNHJZQU-UHFFFAOYSA-N -1 1 252.220 2.822 20 0 CFADMM O=C(Nc1ccncc1[O-])c1nc(C2CC2)n2ccccc12 ZINC000091245066 347579611 /nfs/dbraw/zinc/57/96/11/347579611.db2.gz URSTZRCVKJJFEU-UHFFFAOYSA-N -1 1 294.314 2.565 20 0 CFADMM O=C([O-])C[C@@H]1CN(Cc2ccc3ccccc3c2)CCO1 ZINC000091298665 347582205 /nfs/dbraw/zinc/58/22/05/347582205.db2.gz SXUUIWNHAZDOTM-MRXNPFEDSA-N -1 1 285.343 2.515 20 0 CFADMM CCCc1ccc([C@H](NCc2n[nH]c(=O)[n-]2)C(C)C)cc1 ZINC000091596366 347593637 /nfs/dbraw/zinc/59/36/37/347593637.db2.gz USIYXCFSHJXJPJ-OAHLLOKOSA-N -1 1 288.395 2.537 20 0 CFADMM C[C@@]1(CO)CCC[C@@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000092602316 347633711 /nfs/dbraw/zinc/63/37/11/347633711.db2.gz IBLIKRKSTUVWRJ-WMZOPIPTSA-N -1 1 299.370 2.826 20 0 CFADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1csc(-c2ccco2)n1 ZINC000092939142 347652770 /nfs/dbraw/zinc/65/27/70/347652770.db2.gz IWJZNECFKYNLNM-ONGXEEELSA-N -1 1 292.360 2.698 20 0 CFADMM O=C([O-])CC1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000093680420 347680666 /nfs/dbraw/zinc/68/06/66/347680666.db2.gz WBZDBHQGTPLCOG-UHFFFAOYSA-N -1 1 299.317 2.975 20 0 CFADMM CCOC(=O)Cc1ccccc1NC(=O)c1ccccc1[O-] ZINC000113849995 347769506 /nfs/dbraw/zinc/76/95/06/347769506.db2.gz SIHVSFXAFJFIEI-UHFFFAOYSA-N -1 1 299.326 2.750 20 0 CFADMM O=C([O-])c1cccc2c1CCN(CCC(F)(F)F)C2 ZINC000124582597 347824977 /nfs/dbraw/zinc/82/49/77/347824977.db2.gz HYJSBTFCHQIPCK-UHFFFAOYSA-N -1 1 273.254 2.695 20 0 CFADMM CCCc1cc(=O)[n-]c(SCCCOCC)n1 ZINC000125835028 347829563 /nfs/dbraw/zinc/82/95/63/347829563.db2.gz MCSXMSXXEPEGHK-UHFFFAOYSA-N -1 1 256.371 2.653 20 0 CFADMM C[C@H](CNC(=O)c1cc(Cl)ccc1[O-])C1CC1 ZINC000132747968 347887314 /nfs/dbraw/zinc/88/73/14/347887314.db2.gz PWPBCHBCYMEXQU-MRVPVSSYSA-N -1 1 253.729 2.822 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)s1 ZINC000134792837 347901106 /nfs/dbraw/zinc/90/11/06/347901106.db2.gz TYBXJZYEYIJYQB-UHFFFAOYSA-N -1 1 299.421 2.878 20 0 CFADMM CC(C)c1ccc([C@H](C)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000086806143 179338884 /nfs/dbraw/zinc/33/88/84/179338884.db2.gz MQAINISAPLCYLW-WFASDCNBSA-N -1 1 277.364 2.656 20 0 CFADMM CCOc1ccc(S(=O)(=O)[N-]c2cccnc2)c(C)c1 ZINC000170839403 348064267 /nfs/dbraw/zinc/06/42/67/348064267.db2.gz ZEJYPCJHRGWFDT-UHFFFAOYSA-N -1 1 292.360 2.590 20 0 CFADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC000171329145 348075565 /nfs/dbraw/zinc/07/55/65/348075565.db2.gz RYJLBNKNHROJMZ-UHFFFAOYSA-N -1 1 295.335 2.773 20 0 CFADMM CC(C)n1cc(NC(=O)c2ccc([O-])cc2F)cn1 ZINC000226269763 348182177 /nfs/dbraw/zinc/18/21/77/348182177.db2.gz QPKDRLKPVDNXLD-UHFFFAOYSA-N -1 1 263.272 2.561 20 0 CFADMM C[C@H](c1cccc2ccccc21)[N@H+]1CCO[C@@H](C(=O)[O-])C1 ZINC000226452153 348183407 /nfs/dbraw/zinc/18/34/07/348183407.db2.gz DPLRRLWUEGLQLP-MLGOLLRUSA-N -1 1 285.343 2.686 20 0 CFADMM C[C@H](c1cccc2ccccc21)N1CCO[C@@H](C(=O)[O-])C1 ZINC000226452153 348183413 /nfs/dbraw/zinc/18/34/13/348183413.db2.gz DPLRRLWUEGLQLP-MLGOLLRUSA-N -1 1 285.343 2.686 20 0 CFADMM CCOC1CC(CSc2nc(CC)c(C)c(=O)[n-]2)C1 ZINC000564352649 290205340 /nfs/dbraw/zinc/20/53/40/290205340.db2.gz UYPGYXNFXBBEJR-UHFFFAOYSA-N -1 1 282.409 2.960 20 0 CFADMM Cc1ccc(F)c(CN2CCSC[C@H]2CC(=O)[O-])c1 ZINC000235903656 348230322 /nfs/dbraw/zinc/23/03/22/348230322.db2.gz FMMSJAFMVOUKNS-GFCCVEGCSA-N -1 1 283.368 2.526 20 0 CFADMM CC(C)CCO[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000272308568 348332660 /nfs/dbraw/zinc/33/26/60/348332660.db2.gz XXJOFBNFKXUEFV-CYBMUJFWSA-N -1 1 295.354 2.809 20 0 CFADMM O=C1CCC(Cc2nc(-c3ccc([O-])c(F)c3)no2)CC1 ZINC000350609182 348478429 /nfs/dbraw/zinc/47/84/29/348478429.db2.gz NHDYHWIDNPFDSO-UHFFFAOYSA-N -1 1 290.294 2.883 20 0 CFADMM Cc1ocnc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000351019343 348481408 /nfs/dbraw/zinc/48/14/08/348481408.db2.gz WBUPACBEXOAULX-UHFFFAOYSA-N -1 1 261.212 2.545 20 0 CFADMM CCc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)nc1 ZINC000379125149 348520999 /nfs/dbraw/zinc/52/09/99/348520999.db2.gz NEHHLNDULPJCSS-UHFFFAOYSA-N -1 1 284.359 2.974 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@@H]2C[C@@H]2C1 ZINC000380380094 348524087 /nfs/dbraw/zinc/52/40/87/348524087.db2.gz JUZZFXLGZYJHGB-BETUJISGSA-N -1 1 253.301 2.637 20 0 CFADMM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccccc1 ZINC000588834627 348797317 /nfs/dbraw/zinc/79/73/17/348797317.db2.gz MGOPDOCSSWEAEF-UHFFFAOYSA-N -1 1 286.356 2.979 20 0 CFADMM Cc1ccc(CCCNC(=O)c2ncccc2[O-])c(C)c1 ZINC000586708919 348746794 /nfs/dbraw/zinc/74/67/94/348746794.db2.gz VFAUURGUGCKLRV-UHFFFAOYSA-N -1 1 284.359 2.767 20 0 CFADMM CCOc1cc(C(=O)N2CC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000273948292 192374029 /nfs/dbraw/zinc/37/40/29/192374029.db2.gz LXNGXXQQYYTIBJ-SECBINFHSA-N -1 1 283.755 2.926 20 0 CFADMM CCO[C@@H]1C[C@H](NC(=O)c2c([O-])cccc2F)C12CCC2 ZINC000126207163 539668331 /nfs/dbraw/zinc/66/83/31/539668331.db2.gz BWRXSIFCBKKLGC-QWHCGFSZSA-N -1 1 293.338 2.609 20 0 CFADMM Cn1nc(C(=O)[O-])cc1CNCc1ccc(C2CCC2)cc1 ZINC000635312048 539706843 /nfs/dbraw/zinc/70/68/43/539706843.db2.gz WPAOUSMXQVOQTK-UHFFFAOYSA-N -1 1 299.374 2.676 20 0 CFADMM CCCCN(C(=O)c1cncc([O-])c1)[C@@H](C)CC ZINC000104428834 185999533 /nfs/dbraw/zinc/99/95/33/185999533.db2.gz YHNNDYRKIFTEEF-NSHDSACASA-N -1 1 250.342 2.828 20 0 CFADMM CS[C@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000597716794 350128071 /nfs/dbraw/zinc/12/80/71/350128071.db2.gz UTPCFYYVFBLDOE-NSHDSACASA-N -1 1 288.372 2.518 20 0 CFADMM CN(C(=O)c1ccc(Br)cc1[O-])C1CCC1 ZINC000091683858 180226656 /nfs/dbraw/zinc/22/66/56/180226656.db2.gz XJYCEMHTLIVDJX-UHFFFAOYSA-N -1 1 284.153 2.779 20 0 CFADMM CCSC1(CNC(=O)c2cc(F)ccc2[O-])CC1 ZINC000598328899 350236152 /nfs/dbraw/zinc/23/61/52/350236152.db2.gz KAFQWDRRZRCJLH-UHFFFAOYSA-N -1 1 269.341 2.547 20 0 CFADMM CN(Cc1ccc(F)cc1Cl)C(=O)c1ncccc1[O-] ZINC000107353977 186172386 /nfs/dbraw/zinc/17/23/86/186172386.db2.gz AQBGOWJATGIOPG-UHFFFAOYSA-N -1 1 294.713 2.852 20 0 CFADMM CC(C)(C)c1csc(NC(=O)c2cncc([O-])c2)n1 ZINC000109040870 186241598 /nfs/dbraw/zinc/24/15/98/186241598.db2.gz PYYKIKNBXUDESQ-UHFFFAOYSA-N -1 1 277.349 2.794 20 0 CFADMM CCCOc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000109042727 186241796 /nfs/dbraw/zinc/24/17/96/186241796.db2.gz ZZLJKLJNFBMEBZ-UHFFFAOYSA-N -1 1 272.304 2.828 20 0 CFADMM CSCCCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000600673432 350594125 /nfs/dbraw/zinc/59/41/25/350594125.db2.gz CNQUBEFVLSFGSM-UHFFFAOYSA-N -1 1 291.376 2.660 20 0 CFADMM CS[C@@H](C)CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000600675525 350594804 /nfs/dbraw/zinc/59/48/04/350594804.db2.gz QFQFXPGZHHVYFP-JTQLQIEISA-N -1 1 291.376 2.658 20 0 CFADMM Cc1cccc(O[C@H](C)C(=O)Nc2ccncc2[O-])c1 ZINC000109889763 186277787 /nfs/dbraw/zinc/27/77/87/186277787.db2.gz IKMBNDZDWBZQGA-LLVKDONJSA-N -1 1 272.304 2.502 20 0 CFADMM O=C(Nc1ccncc1[O-])c1cc2cc(F)ccc2[nH]1 ZINC000109891260 186279143 /nfs/dbraw/zinc/27/91/43/186279143.db2.gz QYVUHRDCDGRTAO-UHFFFAOYSA-N -1 1 271.251 2.660 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000109940668 186280287 /nfs/dbraw/zinc/28/02/87/186280287.db2.gz KZLBUUJJJSNHTQ-OAHLLOKOSA-N -1 1 286.306 2.904 20 0 CFADMM O=C(Nc1nc(-c2ccco2)cs1)c1cncc([O-])c1 ZINC000109950167 186281453 /nfs/dbraw/zinc/28/14/53/186281453.db2.gz DNIFQCVUTFJGDK-UHFFFAOYSA-N -1 1 287.300 2.756 20 0 CFADMM Cc1ccc2c(c1)[C@H](NC(=O)c1cncc([O-])c1)CC2 ZINC000601004329 350644026 /nfs/dbraw/zinc/64/40/26/350644026.db2.gz YLJBCTJTQCJVKX-OAHLLOKOSA-N -1 1 268.316 2.513 20 0 CFADMM CS[C@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000601607441 350746713 /nfs/dbraw/zinc/74/67/13/350746713.db2.gz IGWRNOZEKSWYAD-JTQLQIEISA-N -1 1 285.796 2.552 20 0 CFADMM CCc1c(C)[n-]n(-c2ccc(C)c(C(=O)OC)c2)c1=O ZINC000601948101 350815482 /nfs/dbraw/zinc/81/54/82/350815482.db2.gz ACXSFTSLMUAVBV-LBPRGKRZSA-N -1 1 274.320 2.530 20 0 CFADMM O=C(COc1ccc(F)cc1F)Nc1c([O-])cccc1F ZINC000605434849 351245804 /nfs/dbraw/zinc/24/58/04/351245804.db2.gz JQUCZOUJNWGVBY-UHFFFAOYSA-N -1 1 297.232 2.827 20 0 CFADMM O=C(COc1ccccc1)Nc1c([O-])cccc1F ZINC000605440373 351246984 /nfs/dbraw/zinc/24/69/84/351246984.db2.gz QKWDKRLYUGEGOF-UHFFFAOYSA-N -1 1 261.252 2.549 20 0 CFADMM C[C@@H](CC(=O)NC1(c2nn[n-]n2)CCCC1)CC(C)(C)C ZINC000605532608 351252283 /nfs/dbraw/zinc/25/22/83/351252283.db2.gz YOFKVBUHKLLLPS-NSHDSACASA-N -1 1 293.415 2.548 20 0 CFADMM O=C(CC[C@H]1CCCCO1)Nc1c([O-])cccc1F ZINC000608366298 351425546 /nfs/dbraw/zinc/42/55/46/351425546.db2.gz IJRNPXLZSMDRED-SNVBAGLBSA-N -1 1 267.300 2.819 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1ccc2[nH]c(=O)oc2c1 ZINC000608366313 351426215 /nfs/dbraw/zinc/42/62/15/351426215.db2.gz RDRGNWNERSAASG-UHFFFAOYSA-N -1 1 288.234 2.630 20 0 CFADMM CN(C)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1F ZINC000608365341 351426233 /nfs/dbraw/zinc/42/62/33/351426233.db2.gz GTJMXXPJHOBWPE-UHFFFAOYSA-N -1 1 292.285 2.989 20 0 CFADMM C[C@@H]1C[C@@H](CNC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000271436895 191136431 /nfs/dbraw/zinc/13/64/31/191136431.db2.gz GOYBYLHRKWABNG-ZJUUUORDSA-N -1 1 283.755 2.591 20 0 CFADMM COC(=O)c1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000609224153 351491501 /nfs/dbraw/zinc/49/15/01/351491501.db2.gz KWOSLRLBGUWZDF-UHFFFAOYSA-N -1 1 298.273 2.516 20 0 CFADMM COC(=O)c1ccc(C(=O)Nc2c([O-])cccc2F)s1 ZINC000609851242 351522977 /nfs/dbraw/zinc/52/29/77/351522977.db2.gz YLPGIIIWTNQGTN-UHFFFAOYSA-N -1 1 295.291 2.632 20 0 CFADMM O=C([O-])c1ccc(CNCc2ccccc2)nc1C1CC1 ZINC000417714378 233763892 /nfs/dbraw/zinc/76/38/92/233763892.db2.gz ZLVUXADBQPRBTK-UHFFFAOYSA-N -1 1 282.343 2.947 20 0 CFADMM C[C@H]1CN(C(=O)c2ncc3ccccc3c2[O-])C[C@H]1C ZINC000611650657 351720219 /nfs/dbraw/zinc/72/02/19/351720219.db2.gz MFNMFXGSCRZOJK-PHIMTYICSA-N -1 1 270.332 2.668 20 0 CFADMM CC[C@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000612188232 351786499 /nfs/dbraw/zinc/78/64/99/351786499.db2.gz UVNMSAUCGXXUCA-NSHDSACASA-N -1 1 270.332 2.813 20 0 CFADMM O=C(NC[C@@H]1CCCS1)c1ncc2ccccc2c1[O-] ZINC000612248128 351792305 /nfs/dbraw/zinc/79/23/05/351792305.db2.gz RHGDATNHNRSJID-NSHDSACASA-N -1 1 288.372 2.566 20 0 CFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)CC(C)C ZINC000122115050 187015748 /nfs/dbraw/zinc/01/57/48/187015748.db2.gz HHVHGHXZECHXQA-JTQLQIEISA-N -1 1 293.411 2.540 20 0 CFADMM CC(=O)Nc1ccc([O-])c(C(=O)N(C)c2cccc(C)c2)c1 ZINC000122171414 187018777 /nfs/dbraw/zinc/01/87/77/187018777.db2.gz SYIWNSMXBYRILN-UHFFFAOYSA-N -1 1 298.342 2.936 20 0 CFADMM CO[C@@H](C(=O)Nc1c([O-])cccc1F)C1CCCC1 ZINC000613027700 351890872 /nfs/dbraw/zinc/89/08/72/351890872.db2.gz LKMDURGLCKSINR-CYBMUJFWSA-N -1 1 267.300 2.675 20 0 CFADMM CCN(CC(F)F)C(=O)c1ncc2ccccc2c1[O-] ZINC000613476216 351965956 /nfs/dbraw/zinc/96/59/56/351965956.db2.gz YSGHOBKJJXVNAX-UHFFFAOYSA-N -1 1 280.274 2.668 20 0 CFADMM O=C(c1ncc2ccccc2c1[O-])N1CC[C@@H]2CCC[C@H]21 ZINC000613693253 351997474 /nfs/dbraw/zinc/99/74/74/351997474.db2.gz BHLZYJMBOGTPOF-SMDDNHRTSA-N -1 1 282.343 2.955 20 0 CFADMM CSCCCCCNC(=O)c1ccc([O-])c(F)c1 ZINC000614234852 352066939 /nfs/dbraw/zinc/06/69/39/352066939.db2.gz UXNWHCIPNZPTJJ-UHFFFAOYSA-N -1 1 271.357 2.794 20 0 CFADMM CC(C)c1ccc(/C=C/c2cc(=O)n3[n-]cnc3n2)cc1 ZINC000614334944 352081104 /nfs/dbraw/zinc/08/11/04/352081104.db2.gz SXJFBCHCQXTPMZ-VMPITWQZSA-N -1 1 280.331 2.711 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000615226935 352169656 /nfs/dbraw/zinc/16/96/56/352169656.db2.gz NCIBLEZNUWVTHT-MRVPVSSYSA-N -1 1 277.299 2.695 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccc(C2CCC2)c1 ZINC000615222523 352169902 /nfs/dbraw/zinc/16/99/02/352169902.db2.gz SJSWBTZCAOGKIP-UHFFFAOYSA-N -1 1 271.320 2.944 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000615226920 352169930 /nfs/dbraw/zinc/16/99/30/352169930.db2.gz MXURORMHCDQCHY-KWQFWETISA-N -1 1 289.335 2.711 20 0 CFADMM Cc1nc(C(C)C)sc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000615228003 352170669 /nfs/dbraw/zinc/17/06/69/352170669.db2.gz UVJZWKQUNCBSFW-UHFFFAOYSA-N -1 1 280.353 2.564 20 0 CFADMM COc1cc(C(=O)N[C@H](C)C2CCC2)cc(Cl)c1[O-] ZINC000135220244 539853063 /nfs/dbraw/zinc/85/30/63/539853063.db2.gz AGGTZOCKPRRAMS-MRVPVSSYSA-N -1 1 283.755 2.973 20 0 CFADMM C[C@@H]1SCC[C@@H]1NC(=O)c1ncc2ccccc2c1[O-] ZINC000616503425 352361199 /nfs/dbraw/zinc/36/11/99/352361199.db2.gz ORLALBZTJJRXDF-CABZTGNLSA-N -1 1 288.372 2.564 20 0 CFADMM COc1cc(C(=O)N[C@]23C[C@H]2CCC3)cc(Cl)c1[O-] ZINC000617203138 352512585 /nfs/dbraw/zinc/51/25/85/352512585.db2.gz YFECZWCIQZOYIX-YMTOWFKASA-N -1 1 281.739 2.727 20 0 CFADMM C[C@@H]1COC2(CCC2)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000617950666 352680822 /nfs/dbraw/zinc/68/08/22/352680822.db2.gz IYIWGCFOMHDZND-SNVBAGLBSA-N -1 1 295.766 2.829 20 0 CFADMM C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C[C@H](C)O1 ZINC000619122507 352961109 /nfs/dbraw/zinc/96/11/09/352961109.db2.gz QCVBWTPAGUVCPK-ZJUUUORDSA-N -1 1 283.755 2.685 20 0 CFADMM CC(C)[C@@H](NC(=O)c1c(F)ccc([O-])c1F)C1CC1 ZINC000620044280 353104746 /nfs/dbraw/zinc/10/47/46/353104746.db2.gz DJJLBOVFLFGRNW-CYBMUJFWSA-N -1 1 269.291 2.835 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H]2COC[C@H]2C1 ZINC000620150990 353120581 /nfs/dbraw/zinc/12/05/81/353120581.db2.gz CMUMVNRBYJEELB-HUUCEWRRSA-N -1 1 297.354 2.654 20 0 CFADMM O=C(c1ncccc1[O-])N1CCC[C@H]1c1cccs1 ZINC000153487194 188085665 /nfs/dbraw/zinc/08/56/65/188085665.db2.gz FMFOBCWOXBHCKK-JTQLQIEISA-N -1 1 274.345 2.826 20 0 CFADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@]1(C)CO ZINC000620449509 353172403 /nfs/dbraw/zinc/17/24/03/353172403.db2.gz YBQKZJKDDZQNGD-KPZWWZAWSA-N -1 1 299.370 2.636 20 0 CFADMM CCCN(Cc1ccccc1)C(=O)c1ncccc1[O-] ZINC000153525456 188087085 /nfs/dbraw/zinc/08/70/85/188087085.db2.gz RVXVHUKJSHJFQT-UHFFFAOYSA-N -1 1 270.332 2.840 20 0 CFADMM C[C@H]1CCC[C@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000154626095 188154718 /nfs/dbraw/zinc/15/47/18/188154718.db2.gz PGKNEEUVHOHBBA-UWVGGRQHSA-N -1 1 251.301 2.840 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N(C[C@@H]1CCOC1)C1CC1 ZINC000154993763 188175510 /nfs/dbraw/zinc/17/55/10/188175510.db2.gz BRROSGNCIOMPMQ-JTQLQIEISA-N -1 1 295.766 2.687 20 0 CFADMM C[C@@H](C(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000155011376 188175999 /nfs/dbraw/zinc/17/59/99/188175999.db2.gz OMZKELBPXYSLMY-SECBINFHSA-N -1 1 261.243 2.790 20 0 CFADMM Cc1cc(C)c(S(=O)(=O)[N-][C@H](C)C(F)(F)F)s1 ZINC000292571501 198336909 /nfs/dbraw/zinc/33/69/09/198336909.db2.gz YXOUIVWOAXDRHC-SSDOTTSWSA-N -1 1 287.328 2.594 20 0 CFADMM O=S(=O)(CC1CC1)[N-][C@H](C(F)F)C1CCCCC1 ZINC000621322632 353323321 /nfs/dbraw/zinc/32/33/21/353323321.db2.gz BDNGYEDNRRZQIZ-NSHDSACASA-N -1 1 281.368 2.530 20 0 CFADMM CCN(C(=O)c1ccc([O-])cc1F)[C@H]1CCOC(C)(C)C1 ZINC000292630935 198357171 /nfs/dbraw/zinc/35/71/71/198357171.db2.gz JUIDHYSAGSIDOK-NSHDSACASA-N -1 1 295.354 2.951 20 0 CFADMM CC1(NC(=O)c2ccc3ccccc3c2[O-])CCOCC1 ZINC000158018900 188352541 /nfs/dbraw/zinc/35/25/41/188352541.db2.gz YYQKMDXWHOROII-UHFFFAOYSA-N -1 1 285.343 2.844 20 0 CFADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(OC)ccc1O ZINC000566310086 290369904 /nfs/dbraw/zinc/36/99/04/290369904.db2.gz BNYCPXJLOIIUBB-NSHDSACASA-N -1 1 287.381 2.721 20 0 CFADMM CC1(c2ccccc2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC000158813048 188395914 /nfs/dbraw/zinc/39/59/14/188395914.db2.gz ULCLROGHHYOXDD-UHFFFAOYSA-N -1 1 296.370 2.981 20 0 CFADMM CC/C=C/C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000295187738 199395594 /nfs/dbraw/zinc/39/55/94/199395594.db2.gz AARPVBAYIPAMHL-ONEGZZNKSA-N -1 1 295.191 2.633 20 0 CFADMM COc1cc(Cl)c(F)c(C(=O)[N-]c2nncs2)c1 ZINC000622315826 353519375 /nfs/dbraw/zinc/51/93/75/353519375.db2.gz SHWVZSBUWSTJHG-UHFFFAOYSA-N -1 1 287.703 2.592 20 0 CFADMM CC1(C)CCC[C@@H]1CNC(=O)c1csc(=NC2CC2)[n-]1 ZINC000622623157 353532056 /nfs/dbraw/zinc/53/20/56/353532056.db2.gz MPHMHMARIUHCGN-SNVBAGLBSA-N -1 1 293.436 2.695 20 0 CFADMM Cc1cc(C)c(CNC(=O)c2c(F)ccc([O-])c2F)cn1 ZINC000622667576 353533779 /nfs/dbraw/zinc/53/37/79/353533779.db2.gz LVXRGMLANDYDLT-UHFFFAOYSA-N -1 1 292.285 2.612 20 0 CFADMM CC(C)n1ccnc1CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000623777233 353724005 /nfs/dbraw/zinc/72/40/05/353724005.db2.gz VJYHCXDOHJDFCO-UHFFFAOYSA-N -1 1 297.362 2.967 20 0 CFADMM C[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625261362 354006981 /nfs/dbraw/zinc/00/69/81/354006981.db2.gz JUKRYKAEPKAOKQ-QWRGUYRKSA-N -1 1 269.772 2.638 20 0 CFADMM C[C@H]1CN(Cc2ncc(C(C)(C)C)s2)CC[C@H]1C(=O)[O-] ZINC000625970408 354155742 /nfs/dbraw/zinc/15/57/42/354155742.db2.gz PTSBATQUNQRWQH-WDEREUQCSA-N -1 1 296.436 2.983 20 0 CFADMM C[C@@H]1CN(Cc2ncc(C(C)(C)C)s2)CC[C@H]1C(=O)[O-] ZINC000625970405 354156238 /nfs/dbraw/zinc/15/62/38/354156238.db2.gz PTSBATQUNQRWQH-GHMZBOCLSA-N -1 1 296.436 2.983 20 0 CFADMM C[C@H]1CN(Cc2cc(C(=O)[O-])co2)C[C@H](C)C1(F)F ZINC000625971163 354156577 /nfs/dbraw/zinc/15/65/77/354156577.db2.gz NGJGZMMFYXVBCD-IUCAKERBSA-N -1 1 273.279 2.701 20 0 CFADMM Cn1ncc(C2CCC2)c1C(=O)Nc1cccc(F)c1[O-] ZINC000628960234 354707939 /nfs/dbraw/zinc/70/79/39/354707939.db2.gz LGXNQAQFQORRQZ-UHFFFAOYSA-N -1 1 289.310 2.785 20 0 CFADMM CC1(C)CC[C@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380709 354796738 /nfs/dbraw/zinc/79/67/38/354796738.db2.gz VOPYDOMCWXNJMB-ZDUSSCGKSA-N -1 1 285.347 2.953 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCCC2(CC2)CC1 ZINC000629643699 354873015 /nfs/dbraw/zinc/87/30/15/354873015.db2.gz HKFCXEIYWQCURX-UHFFFAOYSA-N -1 1 263.312 2.938 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CC(Cc2cccs2)C1 ZINC000629625897 354863899 /nfs/dbraw/zinc/86/38/99/354863899.db2.gz PXDFMEHTOKYLHM-UHFFFAOYSA-N -1 1 291.347 2.908 20 0 CFADMM C[C@H]1CN(c2ccnc3cc(F)ccc32)CC[C@H]1C(=O)[O-] ZINC000629769628 354927225 /nfs/dbraw/zinc/92/72/25/354927225.db2.gz ZXRHULKDDODLEY-CMPLNLGQSA-N -1 1 288.322 2.921 20 0 CFADMM C[C@H]1CN(C(=O)N=c2[n-]sc3ccccc32)CCS1 ZINC000630349626 355060275 /nfs/dbraw/zinc/06/02/75/355060275.db2.gz UUWHHMJGKJYKHB-VIFPVBQESA-N -1 1 293.417 2.687 20 0 CFADMM Cc1cncc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC000228614177 540109585 /nfs/dbraw/zinc/10/95/85/540109585.db2.gz PQUUYXVTTYTRTN-INIZCTEOSA-N -1 1 282.343 2.574 20 0 CFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@H]1C1CC1 ZINC000630922463 355218224 /nfs/dbraw/zinc/21/82/24/355218224.db2.gz TVDRMIXAWCHUPC-ZDUSSCGKSA-N -1 1 279.767 2.989 20 0 CFADMM CCC(=O)[C@H](C)Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023083 355251075 /nfs/dbraw/zinc/25/10/75/355251075.db2.gz GWQOGJOWAWDCIC-QMMMGPOBSA-N -1 1 266.366 2.828 20 0 CFADMM Cc1nc(SCc2csnn2)[n-]c(=O)c1C1CC1 ZINC000631023367 355252067 /nfs/dbraw/zinc/25/20/67/355252067.db2.gz OJZXDKDHEZQWOY-UHFFFAOYSA-N -1 1 280.378 2.512 20 0 CFADMM COCC[C@H](C)Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631024214 355252194 /nfs/dbraw/zinc/25/21/94/355252194.db2.gz OYOZZTSQKOMQMS-QMMMGPOBSA-N -1 1 268.382 2.885 20 0 CFADMM Cc1noc([C@@H](C)Sc2nc(C)c(C3CC3)c(=O)[n-]2)n1 ZINC000631025163 355252369 /nfs/dbraw/zinc/25/23/69/355252369.db2.gz QOANDSFUFXADHL-SSDOTTSWSA-N -1 1 292.364 2.913 20 0 CFADMM Cc1nc(SC[C@@H]2CCCO2)[n-]c(=O)c1C1CC1 ZINC000631025368 355252460 /nfs/dbraw/zinc/25/24/60/355252460.db2.gz RXDYUFWLBIFBLB-JTQLQIEISA-N -1 1 266.366 2.639 20 0 CFADMM Cc1nnc([C@H](C)Sc2nc(C)c(C3CC3)c(=O)[n-]2)[nH]1 ZINC000631023500 355252640 /nfs/dbraw/zinc/25/26/40/355252640.db2.gz UCSHYFLEJGIMQS-ZETCQYMHSA-N -1 1 291.380 2.648 20 0 CFADMM Cc1nc(SCCC[C@@H](C)O)[n-]c(=O)c1C1CC1 ZINC000631023198 355252688 /nfs/dbraw/zinc/25/26/88/355252688.db2.gz LIMBNVIRFWLJRT-MRVPVSSYSA-N -1 1 268.382 2.621 20 0 CFADMM CC(C)(C)C[C@@H](O)CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631354692 355411769 /nfs/dbraw/zinc/41/17/69/355411769.db2.gz WLOCCXVWFQBBCL-LLVKDONJSA-N -1 1 299.798 2.501 20 0 CFADMM CO[C@@H](CNC(=O)Cc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000631577176 355496918 /nfs/dbraw/zinc/49/69/18/355496918.db2.gz HIHZZIBFHIANPU-ZDUSSCGKSA-N -1 1 299.798 2.765 20 0 CFADMM CCC[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)c1nn[n-]n1 ZINC000631675764 355544697 /nfs/dbraw/zinc/54/46/97/355544697.db2.gz RUHMHGPRAVFECY-MNOVXSKESA-N -1 1 281.404 2.620 20 0 CFADMM CC1CC(NC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000631609835 355513876 /nfs/dbraw/zinc/51/38/76/355513876.db2.gz YRKYSAHDANYJMW-UHFFFAOYSA-N -1 1 253.729 2.503 20 0 CFADMM C[C@@]1(CNC(=O)Cc2ccc([O-])c(Cl)c2)CCCS1 ZINC000631774311 355582076 /nfs/dbraw/zinc/58/20/76/355582076.db2.gz IMMAGVXNHOOYSI-AWEZNQCLSA-N -1 1 299.823 2.990 20 0 CFADMM CC(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)F)o1 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CC[C@H](C)Oc1cccc(NC(=O)c2n[nH]c(C)c2[O-])c1 ZINC000676696166 541777992 /nfs/dbraw/zinc/77/79/92/541777992.db2.gz VFQSLNOISAEXNA-VIFPVBQESA-N -1 1 289.335 2.853 20 0 CFADMM CCOc1cc(-c2nc(N(C)C)no2)cc(Cl)c1[O-] ZINC000276151613 193227238 /nfs/dbraw/zinc/22/72/38/193227238.db2.gz FAXIYZGJDXJBQG-UHFFFAOYSA-N -1 1 283.715 2.560 20 0 CFADMM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ncccc1[O-] ZINC000276372062 193305259 /nfs/dbraw/zinc/30/52/59/193305259.db2.gz RAFMZLUBCOLTPO-SECBINFHSA-N -1 1 288.269 2.590 20 0 CFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC(C(C)C)C1 ZINC000677119978 541822606 /nfs/dbraw/zinc/82/26/06/541822606.db2.gz NCLWSRWGNBWCNV-UHFFFAOYSA-N -1 1 291.395 2.516 20 0 CFADMM CC(C)c1nc(-c2ccc(F)c([O-])c2)nc(N(C)C)n1 ZINC001243055002 781961085 /nfs/dbraw/zinc/96/10/85/781961085.db2.gz XYAAGVNHNXFDGP-UHFFFAOYSA-N -1 1 276.315 2.573 20 0 CFADMM C[C@H](c1ccc(F)cc1F)N1CCC(C(=O)[O-])CC1 ZINC000003759427 371818607 /nfs/dbraw/zinc/81/86/07/371818607.db2.gz AJZRVGILLDCDBI-SECBINFHSA-N -1 1 269.291 2.822 20 0 CFADMM Cc1oc(C(=O)[O-])cc1CN1CCc2ccccc2C1 ZINC000011860939 371935054 /nfs/dbraw/zinc/93/50/54/371935054.db2.gz OTKYEOGIJIUUDA-UHFFFAOYSA-N -1 1 271.316 2.845 20 0 CFADMM COc1cccc(NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000016505051 372108579 /nfs/dbraw/zinc/10/85/79/372108579.db2.gz BAQFBZJHOQINLT-UHFFFAOYSA-N -1 1 273.288 2.662 20 0 CFADMM CCc1nnc([C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)o1 ZINC000333098004 205029763 /nfs/dbraw/zinc/02/97/63/205029763.db2.gz USOMXMYNHDZTMK-SSDOTTSWSA-N -1 1 292.364 2.858 20 0 CFADMM CCc1nnc([C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)o1 ZINC000333098005 205030559 /nfs/dbraw/zinc/03/05/59/205030559.db2.gz USOMXMYNHDZTMK-ZETCQYMHSA-N -1 1 292.364 2.858 20 0 CFADMM CN(CCC(=O)[O-])Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000037933200 372739821 /nfs/dbraw/zinc/73/98/21/372739821.db2.gz BGRVURZOCSVRGH-UHFFFAOYSA-N -1 1 294.738 2.902 20 0 CFADMM O=C([O-])c1ccc(OCCN2CCCCC2)c(Cl)c1 ZINC000042302244 372902513 /nfs/dbraw/zinc/90/25/13/372902513.db2.gz ZPOGWYKBUPUSDI-UHFFFAOYSA-N -1 1 283.755 2.903 20 0 CFADMM COc1cccc(CN(C)Cc2occc2C(=O)[O-])c1 ZINC000042307946 372904636 /nfs/dbraw/zinc/90/46/36/372904636.db2.gz LRIXKIJHEDSLTG-UHFFFAOYSA-N -1 1 275.304 2.618 20 0 CFADMM COc1ccc(C(=O)N(C)c2cccc(C)c2)c([O-])c1 ZINC000049990914 373340920 /nfs/dbraw/zinc/34/09/20/373340920.db2.gz VIPMYPNALDBAEN-UHFFFAOYSA-N -1 1 271.316 2.986 20 0 CFADMM C[C@H]1SCC[C@H]1N=c1[n-]c(C(F)(F)F)cs1 ZINC000645398709 383690664 /nfs/dbraw/zinc/69/06/64/383690664.db2.gz DCTKSUAJXPZDFI-PHDIDXHHSA-N -1 1 268.329 2.890 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2ccncc2)cc1Cl ZINC000069673847 220205631 /nfs/dbraw/zinc/20/56/31/220205631.db2.gz VZVJHEVSKIBCKN-UHFFFAOYSA-N -1 1 282.752 2.844 20 0 CFADMM COCCCCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000058752350 373669240 /nfs/dbraw/zinc/66/92/40/373669240.db2.gz GKJAVDBIARXUAY-UHFFFAOYSA-N -1 1 271.744 2.592 20 0 CFADMM O=C(N[C@@H](CO)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000062999167 373778843 /nfs/dbraw/zinc/77/88/43/373778843.db2.gz LZTNUGSENBZZLG-ZDUSSCGKSA-N -1 1 291.734 2.509 20 0 CFADMM Cc1ccccc1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066650014 373943778 /nfs/dbraw/zinc/94/37/78/373943778.db2.gz CAIWQJUSPGREOR-UHFFFAOYSA-N -1 1 290.392 2.760 20 0 CFADMM C[C@H](CC1CC1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000070104941 374125521 /nfs/dbraw/zinc/12/55/21/374125521.db2.gz SDAPSGWONKGMJH-MRVPVSSYSA-N -1 1 253.729 2.964 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC(C2CCC2)C1 ZINC000335736257 296209742 /nfs/dbraw/zinc/20/97/42/296209742.db2.gz WSIOZLJRVFWXMD-UHFFFAOYSA-N -1 1 265.740 2.918 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1C[C@H]2CCC[C@@H]2C1 ZINC000148880382 296209862 /nfs/dbraw/zinc/20/98/62/296209862.db2.gz POCKVJARGDLGLN-NXEZZACHSA-N -1 1 265.740 2.918 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1Cc2ccccc2O1 ZINC000070333850 374166735 /nfs/dbraw/zinc/16/67/35/374166735.db2.gz LQXUBAZODKKJNE-AWEZNQCLSA-N -1 1 289.718 2.988 20 0 CFADMM CCC[C@@H](C)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645429020 383699563 /nfs/dbraw/zinc/69/95/63/383699563.db2.gz LVQCYDLHZJNYDC-MRVPVSSYSA-N -1 1 296.314 2.567 20 0 CFADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000073631049 374361431 /nfs/dbraw/zinc/36/14/31/374361431.db2.gz OCYNMSSBZWLPKF-UHFFFAOYSA-N -1 1 291.372 2.942 20 0 CFADMM CSc1cc(NC(=O)c2ccccc2[O-])ccn1 ZINC000678031922 541938713 /nfs/dbraw/zinc/93/87/13/541938713.db2.gz QFJJIXZDXZAHCO-UHFFFAOYSA-N -1 1 260.318 2.761 20 0 CFADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H]1C ZINC000075412086 374480537 /nfs/dbraw/zinc/48/05/37/374480537.db2.gz QFOHZVXGAUNREQ-IUCAKERBSA-N -1 1 253.729 2.774 20 0 CFADMM CCc1cnc(CNC(=O)c2cc(Cl)ccc2[O-])s1 ZINC000075181796 374466857 /nfs/dbraw/zinc/46/68/57/374466857.db2.gz GBJNHGOONZRFOD-UHFFFAOYSA-N -1 1 296.779 2.995 20 0 CFADMM CC(C)OCCS(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000080782600 374674008 /nfs/dbraw/zinc/67/40/08/374674008.db2.gz QLENMKAHFCISOM-UHFFFAOYSA-N -1 1 295.763 2.646 20 0 CFADMM Cc1ccncc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000085235348 374798063 /nfs/dbraw/zinc/79/80/63/374798063.db2.gz UIQBSSBGUAJWTJ-UHFFFAOYSA-N -1 1 280.324 2.638 20 0 CFADMM O=C(/C=C/C1CCOCC1)Nc1ccc([O-])c(F)c1F ZINC000493527823 246615509 /nfs/dbraw/zinc/61/55/09/246615509.db2.gz XFRMJIMNDOSAAY-DAFODLJHSA-N -1 1 283.274 2.592 20 0 CFADMM CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000092226732 375097513 /nfs/dbraw/zinc/09/75/13/375097513.db2.gz JMBQTYCQPXNTNA-WCQYABFASA-N -1 1 283.368 2.935 20 0 CFADMM CC(=O)C[C@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000093098109 375187655 /nfs/dbraw/zinc/18/76/55/375187655.db2.gz DZOIUJADBSOCQN-JTQLQIEISA-N -1 1 271.316 2.643 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N(Cc1ccncc1)C1CC1 ZINC000094037096 375337053 /nfs/dbraw/zinc/33/70/53/375337053.db2.gz HHOANXRRBOMAHM-UHFFFAOYSA-N -1 1 286.306 2.731 20 0 CFADMM O=C(Cn1cnc2ccccc21)Nc1c([O-])cccc1F ZINC000678374416 542015172 /nfs/dbraw/zinc/01/51/72/542015172.db2.gz IKZAOGPXCNASLZ-UHFFFAOYSA-N -1 1 285.278 2.520 20 0 CFADMM CC(C)(C)CC(C)(C)NC(=O)c1cncc([O-])c1 ZINC000104410885 375783515 /nfs/dbraw/zinc/78/35/15/375783515.db2.gz RLMVGIPCYJJIQO-UHFFFAOYSA-N -1 1 250.342 2.732 20 0 CFADMM CCOCc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000111595012 375856701 /nfs/dbraw/zinc/85/67/01/375856701.db2.gz BOYYFZBVEILDTE-UHFFFAOYSA-N -1 1 272.304 2.576 20 0 CFADMM O=C(NCCCc1c[nH]c2ccccc12)c1cncc([O-])c1 ZINC000111616776 375858377 /nfs/dbraw/zinc/85/83/77/375858377.db2.gz JIFXDMFDPAVMGQ-UHFFFAOYSA-N -1 1 295.342 2.631 20 0 CFADMM C[C@@H](c1cccs1)N(C)C(=O)c1cncc([O-])c1 ZINC000111739525 375867674 /nfs/dbraw/zinc/86/76/74/375867674.db2.gz JFALKBYBQBHAHW-VIFPVBQESA-N -1 1 262.334 2.682 20 0 CFADMM CCC1CCC(CNC(=O)c2cncc([O-])c2)CC1 ZINC000111739811 375867681 /nfs/dbraw/zinc/86/76/81/375867681.db2.gz OSBUGCVAJNKZAD-UHFFFAOYSA-N -1 1 262.353 2.733 20 0 CFADMM C[C@@H](CCNC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000111772391 375868498 /nfs/dbraw/zinc/86/84/98/375868498.db2.gz VWNJIYPIURCFHC-LBPRGKRZSA-N -1 1 270.332 2.711 20 0 CFADMM CCOc1cc(F)ccc1NC(=O)c1cncc([O-])c1 ZINC000111776381 375869637 /nfs/dbraw/zinc/86/96/37/375869637.db2.gz BHASXBCYPOODQQ-UHFFFAOYSA-N -1 1 276.267 2.577 20 0 CFADMM CCC(C)(CC)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000113294292 376008911 /nfs/dbraw/zinc/00/89/11/376008911.db2.gz LUOMHRQGNOGBAK-UHFFFAOYSA-N -1 1 277.336 2.822 20 0 CFADMM CC(C)(Cc1ccccc1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000117777908 376259113 /nfs/dbraw/zinc/25/91/13/376259113.db2.gz SMUGEJSFCPFWLP-CQSZACIVSA-N -1 1 277.364 2.830 20 0 CFADMM CCc1cc(=O)[n-]c(C[N@H+]2CCC[C@@H]2CC(C)C)n1 ZINC000119392232 376407114 /nfs/dbraw/zinc/40/71/14/376407114.db2.gz OQRGBPTXKZVEMU-CYBMUJFWSA-N -1 1 263.385 2.755 20 0 CFADMM C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3nccn3C)n[nH]2)C1 ZINC000119442703 376414991 /nfs/dbraw/zinc/41/49/91/376414991.db2.gz WLFMTLPGSYHNPG-MNOVXSKESA-N -1 1 287.367 2.575 20 0 CFADMM Cc1cnc([C@H](C)CNC(=O)c2ccc([O-])cc2F)s1 ZINC000120357973 376600416 /nfs/dbraw/zinc/60/04/16/376600416.db2.gz VQAAGGCEJIESIE-MRVPVSSYSA-N -1 1 294.351 2.830 20 0 CFADMM O=S(=O)([N-]c1ccncc1F)c1ccccc1Cl ZINC000120853655 376707589 /nfs/dbraw/zinc/70/75/89/376707589.db2.gz DHQJRBIUEVHHNA-UHFFFAOYSA-N -1 1 286.715 2.675 20 0 CFADMM Cc1nnc([N-]C(=O)c2cc(F)c(F)cc2F)s1 ZINC000124607502 377070523 /nfs/dbraw/zinc/07/05/23/377070523.db2.gz VPDCMBGMQUXTLH-UHFFFAOYSA-N -1 1 273.239 2.516 20 0 CFADMM CC(C)C[C@@H](NC(=O)c1cnn[nH]1)c1ccc(Cl)cc1 ZINC000126925992 377254686 /nfs/dbraw/zinc/25/46/86/377254686.db2.gz JTXLZZQOEPJISS-GFCCVEGCSA-N -1 1 292.770 2.975 20 0 CFADMM O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccc([O-])cc1F ZINC000162728582 542208342 /nfs/dbraw/zinc/20/83/42/542208342.db2.gz MOSWSFOFFXEGGR-UKRRQHHQSA-N -1 1 289.281 2.956 20 0 CFADMM CC(C)CC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000130931160 377633825 /nfs/dbraw/zinc/63/38/25/377633825.db2.gz UVIRZAZFBRINBT-UHFFFAOYSA-N -1 1 279.764 2.804 20 0 CFADMM O=C(CCn1cccc1)Nc1ccc([O-])c(Cl)c1 ZINC000679644699 542220132 /nfs/dbraw/zinc/22/01/32/542220132.db2.gz SAPIMLFDOSAZOJ-UHFFFAOYSA-N -1 1 264.712 2.876 20 0 CFADMM CC1(C[N-]S(=O)(=O)c2c(F)cccc2Cl)CCC1 ZINC000132997240 377893882 /nfs/dbraw/zinc/89/38/82/377893882.db2.gz MIZPGAGCHDAQSI-UHFFFAOYSA-N -1 1 291.775 2.948 20 0 CFADMM C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C1CC1 ZINC000133907926 377967086 /nfs/dbraw/zinc/96/70/86/377967086.db2.gz RROLXNQYVQZPDG-VIFPVBQESA-N -1 1 265.334 2.510 20 0 CFADMM CCC[C@@H](NC(=O)c1oc2ccccc2c1C)c1nn[n-]n1 ZINC000136625812 378203775 /nfs/dbraw/zinc/20/37/75/378203775.db2.gz RVUHVNQCTYHDJS-LLVKDONJSA-N -1 1 299.334 2.526 20 0 CFADMM O=C(NOC1CCCC1)c1cc(Cl)ccc1[O-] ZINC000135690484 378157905 /nfs/dbraw/zinc/15/79/05/378157905.db2.gz WRVUNAZETVFBMO-UHFFFAOYSA-N -1 1 255.701 2.650 20 0 CFADMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1C ZINC000151417343 378325569 /nfs/dbraw/zinc/32/55/69/378325569.db2.gz WMBHCHFQHAZIEO-UHFFFAOYSA-N -1 1 297.355 2.583 20 0 CFADMM O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cc(F)ccc1[O-] ZINC000152359964 378411021 /nfs/dbraw/zinc/41/10/21/378411021.db2.gz CFKCUQVSHQOBTK-FRFSOERESA-N -1 1 297.329 2.847 20 0 CFADMM CC[C@@H]1CCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000152845385 378451188 /nfs/dbraw/zinc/45/11/88/378451188.db2.gz VODJVEVBDSBXDZ-CYBMUJFWSA-N -1 1 298.390 2.685 20 0 CFADMM CC[C@H](C)N(CC(=O)OC(C)(C)C)Cc1ncccc1[O-] ZINC000571842318 383731436 /nfs/dbraw/zinc/73/14/36/383731436.db2.gz TZGKPLHRGYSIGH-LBPRGKRZSA-N -1 1 294.395 2.729 20 0 CFADMM CC(C)CO[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000161602082 378859561 /nfs/dbraw/zinc/85/95/61/378859561.db2.gz FOICANKRFOTQRO-LBPRGKRZSA-N -1 1 297.782 2.933 20 0 CFADMM O=c1cc(C2CC2)nc(SC[C@H]2CCCC[C@@H]2O)[n-]1 ZINC000334024482 378889965 /nfs/dbraw/zinc/88/99/65/378889965.db2.gz GGCONVDVSUPAIG-PWSUYJOCSA-N -1 1 280.393 2.703 20 0 CFADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC[C@H]2CCC[C@@H]21 ZINC000334200745 378917441 /nfs/dbraw/zinc/91/74/41/378917441.db2.gz QRLVIXTYIKQPIG-MFKMUULPSA-N -1 1 291.420 2.544 20 0 CFADMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC[C@H]2CCC[C@H]21 ZINC000334200747 378917462 /nfs/dbraw/zinc/91/74/62/378917462.db2.gz QRLVIXTYIKQPIG-ZWNOBZJWSA-N -1 1 291.420 2.544 20 0 CFADMM CC[C@H](CSC)NC(=O)c1cc(Cl)ccc1[O-] ZINC000164126725 379005896 /nfs/dbraw/zinc/00/58/96/379005896.db2.gz XKIBFRMNGVFNIP-SECBINFHSA-N -1 1 273.785 2.917 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](C2CC2)C1 ZINC000334297537 379051019 /nfs/dbraw/zinc/05/10/19/379051019.db2.gz MXZZYJMRNUFQNH-SNVBAGLBSA-N -1 1 265.740 2.918 20 0 CFADMM C[C@H]1[C@H](CO)CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000335378754 379189462 /nfs/dbraw/zinc/18/94/62/379189462.db2.gz NOUCRDGYCWDKPD-JSGCOSHPSA-N -1 1 299.370 2.778 20 0 CFADMM C[C@H]1CC(C(=O)Nc2ccc(F)cc2[O-])C[C@H](C)O1 ZINC000334368543 379171326 /nfs/dbraw/zinc/17/13/26/379171326.db2.gz SNFKBNDXDLBAKM-IUCAKERBSA-N -1 1 267.300 2.673 20 0 CFADMM CN(C[C@@H]1CCCCO1)C(=O)c1cc(Cl)ccc1[O-] ZINC000048482327 412908461 /nfs/dbraw/zinc/90/84/61/412908461.db2.gz QQIKVSAQKNWECT-NSHDSACASA-N -1 1 283.755 2.687 20 0 CFADMM C[C@@H]1CCN(Cc2c(F)cccc2F)C[C@H]1C(=O)[O-] ZINC000335424227 379271508 /nfs/dbraw/zinc/27/15/08/379271508.db2.gz NSZNBFFDZPSQHU-NXEZZACHSA-N -1 1 269.291 2.507 20 0 CFADMM O=C(Nc1nc2c(s1)CCCCC2)c1cncc([O-])c1 ZINC000171761895 379396924 /nfs/dbraw/zinc/39/69/24/379396924.db2.gz PLJJDNWGKMDVNL-UHFFFAOYSA-N -1 1 289.360 2.765 20 0 CFADMM O=C(N[C@H]1CCC[C@H](F)C1)c1c([O-])cccc1F ZINC000335519267 379441930 /nfs/dbraw/zinc/44/19/30/379441930.db2.gz HWWACCBKLNUKRZ-IUCAKERBSA-N -1 1 255.264 2.542 20 0 CFADMM CC1(C(N)=O)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000335535250 379469152 /nfs/dbraw/zinc/46/91/52/379469152.db2.gz WNCHSKVYXAYAJF-UHFFFAOYSA-N -1 1 284.315 2.543 20 0 CFADMM O=C(NC1(C2CCC2)CCC1)c1ccc([O-])cc1F ZINC000335579254 379546036 /nfs/dbraw/zinc/54/60/36/379546036.db2.gz COPRUHNFTPFJGD-UHFFFAOYSA-N -1 1 263.312 2.984 20 0 CFADMM CO[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1(C)C ZINC000334628708 379658367 /nfs/dbraw/zinc/65/83/67/379658367.db2.gz NIENLQXMCIEDJM-CYBMUJFWSA-N -1 1 297.782 2.933 20 0 CFADMM CCC[C@@]1(C)CCCN(C(=O)c2cncc([O-])c2)C1 ZINC000173243913 379715819 /nfs/dbraw/zinc/71/58/19/379715819.db2.gz PWVOSYNGDGOXKW-HNNXBMFYSA-N -1 1 262.353 2.830 20 0 CFADMM 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/nfs/dbraw/zinc/24/83/11/380248311.db2.gz NHGWLTZEZCXBEM-UHFFFAOYSA-N -1 1 289.228 2.542 20 0 CFADMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ncccc1[O-] ZINC000176537461 380251849 /nfs/dbraw/zinc/25/18/49/380251849.db2.gz VPQLFCRZQAXCCL-OCCSQVGLSA-N -1 1 282.343 2.805 20 0 CFADMM O=C(N[C@H]1C[C@H]1c1ccccc1)c1c(F)ccc([O-])c1F ZINC000335999700 380216631 /nfs/dbraw/zinc/21/66/31/380216631.db2.gz ZKTFXHWBQSNKHD-JQWIXIFHSA-N -1 1 289.281 2.956 20 0 CFADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccncc1F ZINC000336512574 380390583 /nfs/dbraw/zinc/39/05/83/380390583.db2.gz CCUPIYAGSTWCIJ-QMMMGPOBSA-N -1 1 278.258 2.556 20 0 CFADMM COc1cc(C(=O)N[C@@H]2CC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000336549303 380451081 /nfs/dbraw/zinc/45/10/81/380451081.db2.gz SGZCNTMJOVEEQG-PSASIEDQSA-N -1 1 283.755 2.973 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]2COCC[C@H]21 ZINC000336523751 380408762 /nfs/dbraw/zinc/40/87/62/380408762.db2.gz DIDMJMGCGLSJPS-ZWNOBZJWSA-N -1 1 295.766 2.687 20 0 CFADMM 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20 0 CFADMM COc1ccccc1CCNC(=O)c1ccc([O-])cc1F ZINC000181035573 380727748 /nfs/dbraw/zinc/72/77/48/380727748.db2.gz VFUTXMLFSGKTOC-UHFFFAOYSA-N -1 1 289.306 2.512 20 0 CFADMM O=C(NCCc1cccs1)c1ccc([O-])cc1F ZINC000181039909 380729091 /nfs/dbraw/zinc/72/90/91/380729091.db2.gz BPXYKKGHKQQOFW-UHFFFAOYSA-N -1 1 265.309 2.565 20 0 CFADMM CC(C)c1nnc(NC(=O)c2ccc([O-])cc2F)s1 ZINC000181101134 380740175 /nfs/dbraw/zinc/74/01/75/380740175.db2.gz VRWSLHCOBBHCEH-UHFFFAOYSA-N -1 1 281.312 2.759 20 0 CFADMM C[C@@H]1CCC[C@@H](CNC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000287308885 380800578 /nfs/dbraw/zinc/80/05/78/380800578.db2.gz UHNQBMGTLVCIGA-VXGBXAGGSA-N -1 1 275.348 2.517 20 0 CFADMM CN(Cc1ccon1)Cc1cccc([O-])c1Cl ZINC000295358693 380807682 /nfs/dbraw/zinc/80/76/82/380807682.db2.gz NPIJRNBGMWBSCM-UHFFFAOYSA-N -1 1 252.701 2.666 20 0 CFADMM CN(CC(=O)OC(C)(C)C)Cc1cccc([O-])c1Cl ZINC000295515447 380908952 /nfs/dbraw/zinc/90/89/52/380908952.db2.gz ZOLLNERJVVMGBY-UHFFFAOYSA-N -1 1 285.771 2.819 20 0 CFADMM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ncccc1[O-] ZINC000347131179 380962048 /nfs/dbraw/zinc/96/20/48/380962048.db2.gz DEONAQFLAIZVPZ-AWEZNQCLSA-N -1 1 282.343 2.538 20 0 CFADMM Cc1cc([C@@H](C)NC(=O)c2ncc(C)cc2[O-])c(C)o1 ZINC000358622151 380973701 /nfs/dbraw/zinc/97/37/01/380973701.db2.gz ABTQFXISIVSPNV-SNVBAGLBSA-N -1 1 274.320 2.796 20 0 CFADMM Cc1cnc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC000358629744 380978573 /nfs/dbraw/zinc/97/85/73/380978573.db2.gz MLMTUZKJOKVNQK-OLZOCXBDSA-N -1 1 286.306 2.521 20 0 CFADMM CCC[C@@H]1CCCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000287950813 380980728 /nfs/dbraw/zinc/98/07/28/380980728.db2.gz VALGODKWGMSWOD-CYBMUJFWSA-N -1 1 275.348 2.756 20 0 CFADMM Cc1cnc(C(=O)N(C)CCc2ccc(F)cc2)c([O-])c1 ZINC000358631773 380980543 /nfs/dbraw/zinc/98/05/43/380980543.db2.gz OWNJVIALRPATJS-UHFFFAOYSA-N -1 1 288.322 2.549 20 0 CFADMM CC(F)(F)CCCNC(=O)c1ccc([O-])cc1F ZINC000295675069 381009674 /nfs/dbraw/zinc/00/96/74/381009674.db2.gz XPSRLPWHDDFOQS-UHFFFAOYSA-N -1 1 261.243 2.697 20 0 CFADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccccc1 ZINC000358782674 381080488 /nfs/dbraw/zinc/08/04/88/381080488.db2.gz APTDIKMNTWKNMU-UHFFFAOYSA-N -1 1 287.344 2.672 20 0 CFADMM CC[N@H+](Cc1ccncc1)Cc1cc(O)cc(F)c1 ZINC000289711913 381114986 /nfs/dbraw/zinc/11/49/86/381114986.db2.gz GSAKCZTYBXQJEK-UHFFFAOYSA-N -1 1 260.312 2.948 20 0 CFADMM Cc1ccsc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000341665269 381158335 /nfs/dbraw/zinc/15/83/35/381158335.db2.gz LEGYMJOBQLHKNN-MRVPVSSYSA-N -1 1 299.339 2.676 20 0 CFADMM COc1cc(C(=O)NCCC(C)C)cc(Cl)c1[O-] ZINC000354393009 381241263 /nfs/dbraw/zinc/24/12/63/381241263.db2.gz RPSOASAPMSMUKR-UHFFFAOYSA-N -1 1 271.744 2.830 20 0 CFADMM O=C(c1cccc2nn[nH]c21)N(C1CC1)C1CCCC1 ZINC000183566087 381287707 /nfs/dbraw/zinc/28/77/07/381287707.db2.gz RZRGMJJEFAEUNP-UHFFFAOYSA-N -1 1 270.336 2.505 20 0 CFADMM Cc1nc(SCc2cncc(F)c2)[n-]c(=O)c1C ZINC000359250609 381309149 /nfs/dbraw/zinc/30/91/49/381309149.db2.gz LQFOAGYDSJNBOG-UHFFFAOYSA-N -1 1 265.313 2.625 20 0 CFADMM C[C@@H]1C[C@@H](CNC(=O)c2ccc(Cl)cc2[O-])[C@@H](C)O1 ZINC000412639394 381378331 /nfs/dbraw/zinc/37/83/31/381378331.db2.gz KFVQEDPPPNPREQ-BBBLOLIVSA-N -1 1 283.755 2.589 20 0 CFADMM CCC1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000290398947 381411859 /nfs/dbraw/zinc/41/18/59/381411859.db2.gz PDKOIIYYOWJBPS-UHFFFAOYSA-N -1 1 269.291 2.933 20 0 CFADMM CC[C@@H](NC(=O)c1cc(Cl)ccc1[O-])[C@@H](O)C(C)C ZINC000412741275 381425192 /nfs/dbraw/zinc/42/51/92/381425192.db2.gz FIXVUCOJEXOIAN-YPMHNXCESA-N -1 1 285.771 2.571 20 0 CFADMM COCCC1(CN=c2nc(C(F)(F)F)[n-]s2)CCC1 ZINC000342680826 381475025 /nfs/dbraw/zinc/47/50/25/381475025.db2.gz PGOCFFDUSAYEHG-UHFFFAOYSA-N -1 1 295.330 2.598 20 0 CFADMM CCCSCC(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000354805473 381462238 /nfs/dbraw/zinc/46/22/38/381462238.db2.gz PVONKAKHYFJGRG-UHFFFAOYSA-N -1 1 295.433 2.950 20 0 CFADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1cccc(O)c1 ZINC000184971211 381501741 /nfs/dbraw/zinc/50/17/41/381501741.db2.gz ZHWLYKGUIYUSKI-VIFPVBQESA-N -1 1 275.279 2.728 20 0 CFADMM CCC[C@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000185063483 381526709 /nfs/dbraw/zinc/52/67/09/381526709.db2.gz LRCZTDGABYPMLA-CABZTGNLSA-N -1 1 298.770 2.510 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1conc1C1CC1 ZINC000290718265 381531206 /nfs/dbraw/zinc/53/12/06/381531206.db2.gz KZXUDOUQZMWMNL-UHFFFAOYSA-N -1 1 279.683 2.558 20 0 CFADMM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ncccc1[O-] ZINC000296763909 381531721 /nfs/dbraw/zinc/53/17/21/381531721.db2.gz CXBKDWCDCVPEJL-IUCAKERBSA-N -1 1 288.269 2.590 20 0 CFADMM CC[C@H](C)n1ncc(NC(=O)c2cncc([O-])c2)c1C ZINC000355101742 381611669 /nfs/dbraw/zinc/61/16/69/381611669.db2.gz INSGNIFVYMILAB-VIFPVBQESA-N -1 1 274.324 2.515 20 0 CFADMM C[C@@H](NC(=O)c1c([O-])cccc1F)C1CCCC1 ZINC000185412794 381626316 /nfs/dbraw/zinc/62/63/16/381626316.db2.gz IJUZCNGKARXWFR-SECBINFHSA-N -1 1 251.301 2.840 20 0 CFADMM CO[C@@](C)(c1nc(-c2ccc([O-])c(F)c2)no1)C1CC1 ZINC000291110011 381669619 /nfs/dbraw/zinc/66/96/19/381669619.db2.gz 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383106169 /nfs/dbraw/zinc/10/61/69/383106169.db2.gz ZVTOIXVOCBHRNQ-DTWKUNHWSA-N -1 1 277.386 2.602 20 0 CFADMM CCC[C@H](CC)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000553846952 383118952 /nfs/dbraw/zinc/11/89/52/383118952.db2.gz QJBBTCQKIXAXAR-JTQLQIEISA-N -1 1 277.336 2.822 20 0 CFADMM C[C@H](CC1CCC1)NC(=O)c1ccc([O-])c(F)c1 ZINC000634369560 383178881 /nfs/dbraw/zinc/17/88/81/383178881.db2.gz CYHSYDFSBNRDMC-SECBINFHSA-N -1 1 251.301 2.840 20 0 CFADMM O=C(Nc1ccnn1CC1CCC1)c1ccccc1[O-] ZINC000634471021 383202621 /nfs/dbraw/zinc/20/26/21/383202621.db2.gz MVAVCXPYVCVULT-UHFFFAOYSA-N -1 1 271.320 2.641 20 0 CFADMM CCc1nc(SCC(=O)C(C)(C)C)[n-]c(=O)c1C ZINC000518564644 383203333 /nfs/dbraw/zinc/20/33/33/383203333.db2.gz UBUGZLKGDYBUPA-UHFFFAOYSA-N -1 1 268.382 2.760 20 0 CFADMM Cc1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)n1 ZINC000339131071 383160432 /nfs/dbraw/zinc/16/04/32/383160432.db2.gz GALZLUCPTQCEFB-UHFFFAOYSA-N -1 1 294.314 2.738 20 0 CFADMM Cc1[n-]n(-c2nc3ccccc3o2)c(=O)c1C1CC1 ZINC000634585512 383248410 /nfs/dbraw/zinc/24/84/10/383248410.db2.gz JAYBSSAGMGASQO-LBPRGKRZSA-N -1 1 255.277 2.577 20 0 CFADMM CCOc1ccc(-n2[n-]c3c(c2=O)[C@H](C)CC3)cc1 ZINC000634588892 383250299 /nfs/dbraw/zinc/25/02/99/383250299.db2.gz IOECBJZCUWWNNO-YGRLFVJLSA-N -1 1 258.321 2.834 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3ncccc3C(F)(F)F)c(=O)c21 ZINC000634589413 383251325 /nfs/dbraw/zinc/25/13/25/383251325.db2.gz XYOYCHSTLMISLE-XCBNKYQSSA-N -1 1 283.253 2.849 20 0 CFADMM CC(C)[C@H]1CCc2[n-]n(Cc3cccnc3)c(=O)c2C1 ZINC000634591537 383252141 /nfs/dbraw/zinc/25/21/41/383252141.db2.gz GURHAHRKGHJKMF-UONOGXRCSA-N -1 1 271.364 2.852 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3ccc(Br)cn3)c(=O)c21 ZINC000634593591 383253373 /nfs/dbraw/zinc/25/33/73/383253373.db2.gz TWHISJZABMPULR-HQJQHLMTSA-N -1 1 294.152 2.593 20 0 CFADMM C[C@@H]1CCC2=NN(c3cccc(C(=O)[O-])c3)C(=O)[C@H]2C1 ZINC000634598802 383260043 /nfs/dbraw/zinc/26/00/43/383260043.db2.gz SMEKTUHXOFCAON-SKDRFNHKSA-N -1 1 272.304 2.524 20 0 CFADMM C[C@@H]1CCc2[nH]n(-c3cccc(C(=O)[O-])c3)c(=O)c2C1 ZINC000634598802 383260048 /nfs/dbraw/zinc/26/00/48/383260048.db2.gz SMEKTUHXOFCAON-SKDRFNHKSA-N -1 1 272.304 2.524 20 0 CFADMM CCCCc1[nH]n(-c2cccc(C(=O)[O-])c2)c(=O)c1C ZINC000634598728 383260730 /nfs/dbraw/zinc/26/07/30/383260730.db2.gz QULFHBFKOUSMEJ-JTQLQIEISA-N -1 1 274.320 2.914 20 0 CFADMM CCc1c(=O)n(-c2ccc(C)nn2)[n-]c1-c1cccc(C)c1 ZINC000634600221 383261957 /nfs/dbraw/zinc/26/19/57/383261957.db2.gz AIPSFLVCOSROPR-AWEZNQCLSA-N -1 1 294.358 2.871 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3ccc(-c4ccccc4)nn3)c(=O)c21 ZINC000634600998 383262932 /nfs/dbraw/zinc/26/29/32/383262932.db2.gz ABDPDQGMSKRUIU-ZBEGNZNMSA-N -1 1 292.342 2.892 20 0 CFADMM Cc1[n-]n(-c2cccc3cnccc32)c(=O)c1C1CC1 ZINC000634622509 383281731 /nfs/dbraw/zinc/28/17/31/383281731.db2.gz HAMVGAQRPKGHJI-OAHLLOKOSA-N -1 1 265.316 2.984 20 0 CFADMM C[C@@H]1CCc2[n-]n(Cc3ccccc3F)c(=O)c2C1 ZINC000634607705 383269000 /nfs/dbraw/zinc/26/90/00/383269000.db2.gz FSYNXPHMYRUKJE-ZYHUDNBSSA-N -1 1 260.312 2.960 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3cc(F)c(F)c(F)c3)c(=O)c21 ZINC000634613870 383274392 /nfs/dbraw/zinc/27/43/92/383274392.db2.gz KSBARJLGEPJBJP-KGFZYKRKSA-N -1 1 268.238 2.853 20 0 CFADMM Cc1[n-]n(-c2ccnc(C(F)(F)F)c2)c(=O)c1C1CC1 ZINC000634617907 383276983 /nfs/dbraw/zinc/27/69/83/383276983.db2.gz AJYGKNWZMOFKTD-NSHDSACASA-N -1 1 283.253 2.849 20 0 CFADMM CC[C@H](C)c1n[nH]c([C@@H](C)N=c2nc(C(C)C)[n-]s2)n1 ZINC000566832236 383214986 /nfs/dbraw/zinc/21/49/86/383214986.db2.gz XQBCYJSMZAZXNZ-DTWKUNHWSA-N -1 1 294.428 2.888 20 0 CFADMM CC[C@H](C)c1nc([C@@H](C)N=c2nc(C(C)C)[n-]s2)n[nH]1 ZINC000566832236 383214990 /nfs/dbraw/zinc/21/49/90/383214990.db2.gz XQBCYJSMZAZXNZ-DTWKUNHWSA-N -1 1 294.428 2.888 20 0 CFADMM CCCCCn1[n-]c(=O)c2cc(F)c(F)cc2c1=O ZINC000634619396 383278995 /nfs/dbraw/zinc/27/89/95/383278995.db2.gz XUICWJJIGOIEEN-UHFFFAOYSA-N -1 1 268.263 2.571 20 0 CFADMM CC(C)OCCn1[n-]c2c(c1=O)C[C@@H](C(C)C)CC2 ZINC000634620204 383279434 /nfs/dbraw/zinc/27/94/34/383279434.db2.gz WUJIJOSFVGEROQ-QWHCGFSZSA-N -1 1 266.385 2.682 20 0 CFADMM O=C([O-])c1ccc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000263407706 304242241 /nfs/dbraw/zinc/24/22/41/304242241.db2.gz KISQIZCMDDTGFR-WBVHZDCISA-N -1 1 287.359 2.528 20 0 CFADMM O=c1c2c([n-]n1C13CC(C1)C3)-c1ccccc1CCC2 ZINC000634624859 383284187 /nfs/dbraw/zinc/28/41/87/383284187.db2.gz SQYJGAAGYIOCDT-WKXXDYOBSA-N -1 1 266.344 2.738 20 0 CFADMM C[C@@H](c1ccncc1)n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634626389 383285585 /nfs/dbraw/zinc/28/55/85/383285585.db2.gz DBNVRXCLNXLFOV-MDZLAQPJSA-N -1 1 257.337 2.777 20 0 CFADMM C[C@@H](n1[n-]c(=O)c2cc(F)c(F)cc2c1=O)C(C)(C)C ZINC000634630013 383287940 /nfs/dbraw/zinc/28/79/40/383287940.db2.gz JWUWBLAFQXGXGT-SSDOTTSWSA-N -1 1 282.290 2.987 20 0 CFADMM CCc1c(C(C)C)[n-]n([C@H](C)C(F)(F)F)c1=O ZINC000634630813 383289765 /nfs/dbraw/zinc/28/97/65/383289765.db2.gz FHPVBQSVTPSLQO-HTQZYQBOSA-N -1 1 250.264 2.818 20 0 CFADMM C[C@H]1CCC2=NN(c3ccc(C(=O)[O-])c(F)c3)C(=O)[C@@H]2C1 ZINC000634632059 383290501 /nfs/dbraw/zinc/29/05/01/383290501.db2.gz IQZPPXMRQZHTNS-GZMMTYOYSA-N -1 1 290.294 2.663 20 0 CFADMM C[C@H]1CCc2[nH]n(-c3ccc(C(=O)[O-])c(F)c3)c(=O)c2C1 ZINC000634632059 383290512 /nfs/dbraw/zinc/29/05/12/383290512.db2.gz IQZPPXMRQZHTNS-GZMMTYOYSA-N -1 1 290.294 2.663 20 0 CFADMM CC[C@@H](C)c1cc(=O)n(-c2ccc(C(=O)[O-])c(F)c2)[nH]1 ZINC000634632303 383290574 /nfs/dbraw/zinc/29/05/74/383290574.db2.gz OCEKQOWIGMXCTH-MRVPVSSYSA-N -1 1 278.283 2.663 20 0 CFADMM CCc1c(C)[n-]n(CCCOCc2ccccc2)c1=O ZINC000634634717 383293611 /nfs/dbraw/zinc/29/36/11/383293611.db2.gz HSWVBZHGSNPKTG-HNNXBMFYSA-N -1 1 274.364 2.838 20 0 CFADMM CCCSc1cccc([N-]S(=O)(=O)CCC)n1 ZINC000634659539 383298395 /nfs/dbraw/zinc/29/83/95/383298395.db2.gz ZHEHRTLZBJIGDE-UHFFFAOYSA-N -1 1 274.411 2.735 20 0 CFADMM O=C([O-])c1cnc2ccccc2c1N1CCO[C@H](C2CC2)C1 ZINC000521881323 383313190 /nfs/dbraw/zinc/31/31/90/383313190.db2.gz ZLXBVABCUSRLAI-HNNXBMFYSA-N -1 1 298.342 2.548 20 0 CFADMM C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1ncccc1O ZINC000521894535 383314826 /nfs/dbraw/zinc/31/48/26/383314826.db2.gz SDDGCCVEKXIVRF-CQSZACIVSA-N -1 1 286.375 2.560 20 0 CFADMM O=C(NC1(Cc2ccccc2)CCC1)c1ncccc1[O-] ZINC000427740216 383415943 /nfs/dbraw/zinc/41/59/43/383415943.db2.gz HRILOWKMAIWTKZ-UHFFFAOYSA-N -1 1 282.343 2.682 20 0 CFADMM Cc1oc([C@H](C)N(C)CCOCC2CC2)cc1C(=O)[O-] ZINC000568067529 383353900 /nfs/dbraw/zinc/35/39/00/383353900.db2.gz XZSUQEPISGNHTA-JTQLQIEISA-N -1 1 281.352 2.706 20 0 CFADMM CC[C@H](CC(C)C)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425316056 383365549 /nfs/dbraw/zinc/36/55/49/383365549.db2.gz BZAQURXHGGUNEI-LLVKDONJSA-N -1 1 295.383 2.554 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1ncoc1[C@@H]1CCCO1 ZINC000340330964 383414853 /nfs/dbraw/zinc/41/48/53/383414853.db2.gz WQTZTRGXXPNTPV-NSHDSACASA-N -1 1 292.266 2.623 20 0 CFADMM CC(=O)c1cnc(NC(=O)c2cc([O-])ccc2Cl)s1 ZINC000340449490 383423196 /nfs/dbraw/zinc/42/31/96/383423196.db2.gz BZULZABXVGOHLA-UHFFFAOYSA-N -1 1 296.735 2.957 20 0 CFADMM CC(C)c1nc(=NCCCNc2ccccc2F)o[n-]1 ZINC000428220933 383428188 /nfs/dbraw/zinc/42/81/88/383428188.db2.gz JCBCSCQGGMKUIW-UHFFFAOYSA-N -1 1 278.331 2.668 20 0 CFADMM CCc1[nH]nc([N-]S(=O)(=O)CCC2CCCC2)c1C ZINC000568719791 383430069 /nfs/dbraw/zinc/43/00/69/383430069.db2.gz BARNPVUSBSVDHW-UHFFFAOYSA-N -1 1 285.413 2.603 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N(C)[C@@H]3CC3(C)C)cnc2n1 ZINC000429570024 383548494 /nfs/dbraw/zinc/54/84/94/383548494.db2.gz ACHWRDRUBIYZDA-GFCCVEGCSA-N -1 1 285.347 2.514 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)[C@@H]1CC1(C)C)c2=O ZINC000429570024 383548500 /nfs/dbraw/zinc/54/85/00/383548500.db2.gz ACHWRDRUBIYZDA-GFCCVEGCSA-N -1 1 285.347 2.514 20 0 CFADMM Cc1oc([C@H](C)N(C)C[C@@H]2CCCCO2)cc1C(=O)[O-] ZINC000569934608 383552638 /nfs/dbraw/zinc/55/26/38/383552638.db2.gz JWRYACAYHYLSSI-JQWIXIFHSA-N -1 1 281.352 2.848 20 0 CFADMM CCCCc1noc([C@H](C)N2CCC[C@@](C)(C(=O)[O-])C2)n1 ZINC000569464016 383502328 /nfs/dbraw/zinc/50/23/28/383502328.db2.gz UPTKBOPKXOSDQQ-XHDPSFHLSA-N -1 1 295.383 2.660 20 0 CFADMM Cc1ccc([C@H](C)N(C)Cc2cc(C(=O)[O-])nn2C)cc1 ZINC000635299981 383527071 /nfs/dbraw/zinc/52/70/71/383527071.db2.gz LYNRVAHIIQAPRQ-LBPRGKRZSA-N -1 1 287.363 2.620 20 0 CFADMM Cc1cc([C@@H](C)NCc2cc(C(=O)[O-])nn2C)c(C)s1 ZINC000635305462 383528290 /nfs/dbraw/zinc/52/82/90/383528290.db2.gz PCENLETZYQANAY-SECBINFHSA-N -1 1 293.392 2.647 20 0 CFADMM CC[C@H]1c2ccccc2CCN1Cc1cc(C(=O)[O-])nn1C ZINC000635303103 383528587 /nfs/dbraw/zinc/52/85/87/383528587.db2.gz RUXJCMAILXVJCV-INIZCTEOSA-N -1 1 299.374 2.628 20 0 CFADMM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1c(F)cccc1Cl ZINC000430033788 383585145 /nfs/dbraw/zinc/58/51/45/383585145.db2.gz KZSUSYAFKFKTNB-GZMMTYOYSA-N -1 1 289.759 2.556 20 0 CFADMM O=C(NC[C@H]1CC=CCC1)c1c(F)ccc([O-])c1F ZINC000280819116 194988843 /nfs/dbraw/zinc/98/88/43/194988843.db2.gz RKXGLFMXYDLNAO-VIFPVBQESA-N -1 1 267.275 2.757 20 0 CFADMM COCc1nc(=N[C@@H](C)[C@@H]2CCC[C@H](C)C2)s[n-]1 ZINC000450934971 383558000 /nfs/dbraw/zinc/55/80/00/383558000.db2.gz XTFJQQGWBCBQNR-GARJFASQSA-N -1 1 269.414 2.733 20 0 CFADMM C[C@@H]1[C@H](C(=O)[O-])CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000263066189 383652449 /nfs/dbraw/zinc/65/24/49/383652449.db2.gz ODJQSJZFDWSRJI-NOZJJQNGSA-N -1 1 269.291 2.650 20 0 CFADMM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000451513599 383632634 /nfs/dbraw/zinc/63/26/34/383632634.db2.gz AYZVWTNWVPETJP-ZETCQYMHSA-N -1 1 297.854 2.574 20 0 CFADMM CC[C@@H](CCc1ccccc1)NC(=O)c1cncc([O-])c1 ZINC000529799286 383755131 /nfs/dbraw/zinc/75/51/31/383755131.db2.gz KUSKPPVDRXOFMU-HNNXBMFYSA-N -1 1 284.359 2.928 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)N[C@@]12C[C@@H]1CCC2 ZINC000640336786 383765611 /nfs/dbraw/zinc/76/56/11/383765611.db2.gz ACCUKGBDUNGIPT-XPTSAGLGSA-N -1 1 273.361 2.782 20 0 CFADMM CC1(CNC(=O)N=c2[n-]sc3ccccc32)CC1 ZINC000640341592 383766600 /nfs/dbraw/zinc/76/66/00/383766600.db2.gz IFWMASYQSBIQCR-UHFFFAOYSA-N -1 1 261.350 2.640 20 0 CFADMM CN(CC1=CCCC1)Cc1nc(=O)c2sccc2[n-]1 ZINC000645859716 383771798 /nfs/dbraw/zinc/77/17/98/383771798.db2.gz FGWQVHILXSZEMC-UHFFFAOYSA-N -1 1 275.377 2.939 20 0 CFADMM CC(C)(C)c1n[nH]cc1CNCc1ccc(C(=O)[O-])cc1 ZINC000263386306 383661557 /nfs/dbraw/zinc/66/15/57/383661557.db2.gz CXRLGVWUMPCEIQ-UHFFFAOYSA-N -1 1 287.363 2.695 20 0 CFADMM O=C([O-])c1ccc(CNCc2ccc3c(n2)CCCC3)cc1 ZINC000263447336 383667921 /nfs/dbraw/zinc/66/79/21/383667921.db2.gz YGYVNIOPDFWKFD-UHFFFAOYSA-N -1 1 296.370 2.948 20 0 CFADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000528902340 383672841 /nfs/dbraw/zinc/67/28/41/383672841.db2.gz NJBPHQDBPQXSPP-VXFNFUGZSA-N -1 1 267.300 2.529 20 0 CFADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(OC)nc2)cc1 ZINC000436478570 383820686 /nfs/dbraw/zinc/82/06/86/383820686.db2.gz MPSDKKWYSOMLTE-UHFFFAOYSA-N -1 1 290.344 2.534 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)c2cscc2C)c1 ZINC000436503024 383824010 /nfs/dbraw/zinc/82/40/10/383824010.db2.gz GGKYZKINQMKLNL-UHFFFAOYSA-N -1 1 291.328 2.801 20 0 CFADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@H](OCC(C)C)C1 ZINC000572414851 383780726 /nfs/dbraw/zinc/78/07/26/383780726.db2.gz OTWWIPIFPOGICY-ZDUSSCGKSA-N -1 1 281.352 2.533 20 0 CFADMM CCCCOCCSc1nc(CC)cc(=O)[n-]1 ZINC000436210257 383788352 /nfs/dbraw/zinc/78/83/52/383788352.db2.gz NWQUUNHNXVHYHJ-UHFFFAOYSA-N -1 1 256.371 2.653 20 0 CFADMM O=C(NC1(C(F)F)CC1)c1cc(Cl)ccc1[O-] ZINC000436516233 383826070 /nfs/dbraw/zinc/82/60/70/383826070.db2.gz YFJNMIYUNFIIRS-UHFFFAOYSA-N -1 1 261.655 2.573 20 0 CFADMM O=C(NCCc1c(F)cccc1F)c1cc(F)ccc1[O-] ZINC000436567222 383839512 /nfs/dbraw/zinc/83/95/12/383839512.db2.gz ZKUJZXSQYCVEJS-UHFFFAOYSA-N -1 1 295.260 2.782 20 0 CFADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000436588888 383847621 /nfs/dbraw/zinc/84/76/21/383847621.db2.gz JAAHPYKVWCLKLD-OTYXRUKQSA-N -1 1 285.771 2.573 20 0 CFADMM [O-]c1cccc(CN2CCC[C@@H]2c2ncon2)c1Cl ZINC000646070634 383850278 /nfs/dbraw/zinc/85/02/78/383850278.db2.gz VLFVPOFDSAEWND-SNVBAGLBSA-N -1 1 279.727 2.766 20 0 CFADMM C=Cc1ccc(CCNC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436639243 383859345 /nfs/dbraw/zinc/85/93/45/383859345.db2.gz JWPYJOKVMOYZRV-UHFFFAOYSA-N -1 1 295.338 2.577 20 0 CFADMM CCOc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436663958 383868559 /nfs/dbraw/zinc/86/85/59/383868559.db2.gz JRFNQTJJHUOWLG-UHFFFAOYSA-N -1 1 285.299 2.612 20 0 CFADMM C[C@@H](C[C@@H]1CCCO1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436717765 383881142 /nfs/dbraw/zinc/88/11/42/383881142.db2.gz CWEQWASKVKOQEH-ONGXEEELSA-N -1 1 283.755 2.733 20 0 CFADMM COc1ccc(C(=O)Nc2ccc3[nH]cnc3c2)c([O-])c1 ZINC000436707351 383875887 /nfs/dbraw/zinc/87/58/87/383875887.db2.gz GEBCFPCBHIKBFD-UHFFFAOYSA-N -1 1 283.287 2.529 20 0 CFADMM O=C(Nc1cc(Cl)ccc1O)C(=O)c1ccc([O-])cc1 ZINC000436706715 383876088 /nfs/dbraw/zinc/87/60/88/383876088.db2.gz NEPQVPPAQFARNN-UHFFFAOYSA-N -1 1 291.690 2.573 20 0 CFADMM O=C(Nc1ccc2[nH]cnc2c1)c1ccccc1[O-] ZINC000436710294 383877983 /nfs/dbraw/zinc/87/79/83/383877983.db2.gz RUEWBIRRNCHDAW-UHFFFAOYSA-N -1 1 253.261 2.521 20 0 CFADMM CCC1(CC)[C@H](NC(=O)c2c([O-])cccc2F)C[C@H]1OC ZINC000436527780 383828981 /nfs/dbraw/zinc/82/89/81/383828981.db2.gz FFEIYGBDKRHWOK-CHWSQXEVSA-N -1 1 295.354 2.855 20 0 CFADMM COc1ccc(C(=O)Nc2scnc2C2CC2)c([O-])c1 ZINC000436716123 383879039 /nfs/dbraw/zinc/87/90/39/383879039.db2.gz RYEPHGDHFZIPJX-UHFFFAOYSA-N -1 1 290.344 2.987 20 0 CFADMM C[C@H](F)CCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436542507 383831124 /nfs/dbraw/zinc/83/11/24/383831124.db2.gz CSRDOLZSCMOULL-ZETCQYMHSA-N -1 1 279.233 2.889 20 0 CFADMM COc1cc(CNC(=O)c2cc(F)ccc2[O-])ccc1C ZINC000436539809 383832146 /nfs/dbraw/zinc/83/21/46/383832146.db2.gz PHNNSTNUXGDAEP-UHFFFAOYSA-N -1 1 289.306 2.778 20 0 CFADMM CCOC(=O)c1nc(C)[nH]c1NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000531841293 383930443 /nfs/dbraw/zinc/93/04/43/383930443.db2.gz IBZFOXXAVVBTMN-KOLCDFICSA-N -1 1 293.367 2.660 20 0 CFADMM CCC[C@@H](C(=O)NCc1cc(=O)[n-]c(SC)n1)C(C)C ZINC000640656157 383882271 /nfs/dbraw/zinc/88/22/71/383882271.db2.gz NPUJCAWYDMLDOY-LLVKDONJSA-N -1 1 297.424 2.593 20 0 CFADMM Cc1nc2cc(NC(=O)c3cc(F)ccc3[O-])ccc2[nH]1 ZINC000436752525 383890385 /nfs/dbraw/zinc/89/03/85/383890385.db2.gz ANLDOFWZVNXXMP-UHFFFAOYSA-N -1 1 285.278 2.968 20 0 CFADMM O=C(N[C@H](c1ccccc1)C1CC1)C(=O)c1ccc([O-])cc1 ZINC000436774053 383895405 /nfs/dbraw/zinc/89/54/05/383895405.db2.gz VDOYYKPKWFRMAK-MRXNPFEDSA-N -1 1 295.338 2.842 20 0 CFADMM CC1(C)CC[C@H](CNC(=O)c2ccc(Cl)cc2[O-])O1 ZINC000436780575 383895585 /nfs/dbraw/zinc/89/55/85/383895585.db2.gz DZRYOYDFUZQJCI-SNVBAGLBSA-N -1 1 283.755 2.733 20 0 CFADMM Cc1cnc(C(=O)Nc2cc(Cl)c([O-])cc2F)c(O)c1 ZINC000436774200 383895883 /nfs/dbraw/zinc/89/58/83/383895883.db2.gz SMCBWTNMRWHNKV-UHFFFAOYSA-N -1 1 296.685 2.846 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CSc1ccc(C)cc1C ZINC000646409724 383988562 /nfs/dbraw/zinc/98/85/62/383988562.db2.gz UYKDMXSIWFOHDP-UHFFFAOYSA-N -1 1 291.376 2.771 20 0 CFADMM COc1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)c2ccccc12 ZINC000646409686 383988693 /nfs/dbraw/zinc/98/86/93/383988693.db2.gz SENNXSKMAXNGCD-UHFFFAOYSA-N -1 1 297.314 2.838 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](C)Cc1ccccc1Cl ZINC000646409690 383989174 /nfs/dbraw/zinc/98/91/74/383989174.db2.gz SJEZEEMYJJROLL-MRVPVSSYSA-N -1 1 293.754 2.894 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CCc1c[nH]c2c1cccc2C ZINC000646409775 383989698 /nfs/dbraw/zinc/98/96/98/383989698.db2.gz XSTCXRGTXQTSBU-UHFFFAOYSA-N -1 1 298.346 2.785 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CCc1ccccc1Cl ZINC000646411469 383991318 /nfs/dbraw/zinc/99/13/18/383991318.db2.gz ILMAIFFSBGYLRB-UHFFFAOYSA-N -1 1 279.727 2.648 20 0 CFADMM Cc1nc(C(C)C)oc1CNC(=O)c1cc(F)ccc1[O-] ZINC000646361897 383969636 /nfs/dbraw/zinc/96/96/36/383969636.db2.gz WTHKTIPMDYBYPA-UHFFFAOYSA-N -1 1 292.310 2.881 20 0 CFADMM C[C@@H](c1ccccn1)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000573976939 384024501 /nfs/dbraw/zinc/02/45/01/384024501.db2.gz MAVZAAPSZNEIPP-LBPRGKRZSA-N -1 1 282.343 2.899 20 0 CFADMM CCCCc1noc([C@H](C)N2CCC[C@H](CC(=O)[O-])C2)n1 ZINC000532881519 384079914 /nfs/dbraw/zinc/07/99/14/384079914.db2.gz NSFASGSMUMBLEO-NWDGAFQWSA-N -1 1 295.383 2.660 20 0 CFADMM CC(C)(C)CC(C)(C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000281102212 195105775 /nfs/dbraw/zinc/10/57/75/195105775.db2.gz GAVSPCHLJGSFHA-UHFFFAOYSA-N -1 1 277.364 2.906 20 0 CFADMM O=c1cc(C2CC2)nc(SCc2ccns2)[n-]1 ZINC000641477105 384202825 /nfs/dbraw/zinc/20/28/25/384202825.db2.gz UTNYSWWPZLALBZ-UHFFFAOYSA-N -1 1 265.363 2.808 20 0 CFADMM O=C([N-]Cc1coc2ccccc12)C(F)(F)C(F)F ZINC000267197031 384321510 /nfs/dbraw/zinc/32/15/10/384321510.db2.gz DDYLSHKEFCDNDX-UHFFFAOYSA-N -1 1 275.201 2.949 20 0 CFADMM Cc1nc(-c2ccccc2)oc1CN1CCC[C@@H]1C(=O)[O-] ZINC000641792157 384353661 /nfs/dbraw/zinc/35/36/61/384353661.db2.gz PDEBTCOSSXCJFY-CYBMUJFWSA-N -1 1 286.331 2.699 20 0 CFADMM O=C([O-])c1ccc2c(c1)n[nH]c2-c1nc2c(cccc2F)[nH]1 ZINC000345425161 304253447 /nfs/dbraw/zinc/25/34/47/304253447.db2.gz GEIAWOINHATVLG-UHFFFAOYSA-N -1 1 296.261 2.944 20 0 CFADMM CC[C@H](C)OCc1nc(-c2ccc([O-])cc2F)no1 ZINC000278148765 384482864 /nfs/dbraw/zinc/48/28/64/384482864.db2.gz LWQVPEQKGVTHRH-QMMMGPOBSA-N -1 1 266.272 2.896 20 0 CFADMM [O-]c1ccc(-c2noc(C[C@H]3CCCCO3)n2)c(F)c1 ZINC000278263474 384512147 /nfs/dbraw/zinc/51/21/47/384512147.db2.gz UYCHWFNEVHEYOX-SNVBAGLBSA-N -1 1 278.283 2.693 20 0 CFADMM CC[C@H](CCO)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000268117283 384535775 /nfs/dbraw/zinc/53/57/75/384535775.db2.gz SUSVCXVZJIVQMP-GFCCVEGCSA-N -1 1 287.359 2.684 20 0 CFADMM Cc1ccc([C@@H]2C[C@H]2C(=O)[N-]O[C@H]2CCCCO2)s1 ZINC000364039034 220322634 /nfs/dbraw/zinc/32/26/34/220322634.db2.gz FMBAHZUHHBQKSG-WZRBSPASSA-N -1 1 281.377 2.734 20 0 CFADMM CCC[C@H](NC(=O)c1cc2cccc(C)c2o1)c1nn[n-]n1 ZINC000268173129 384554604 /nfs/dbraw/zinc/55/46/04/384554604.db2.gz KGIUNKMTWHOAMT-NSHDSACASA-N -1 1 299.334 2.526 20 0 CFADMM O=C([O-])CC[C@@H]1CCCCN1Cc1noc2c1CCCC2 ZINC000643877724 384780223 /nfs/dbraw/zinc/78/02/23/384780223.db2.gz YLQKJGVFXGONAF-LBPRGKRZSA-N -1 1 292.379 2.773 20 0 CFADMM CC(C)(C)C[C@@H](O)CC(=O)Nc1c([O-])cccc1F ZINC000644046419 384826862 /nfs/dbraw/zinc/82/68/62/384826862.db2.gz PQKZWRJOCZDSFW-VIFPVBQESA-N -1 1 269.316 2.657 20 0 CFADMM Cc1nc(S(=O)(=O)[N-][C@]2(C)CC=CCC2)sc1C ZINC000570784096 322551208 /nfs/dbraw/zinc/55/12/08/322551208.db2.gz NVUFSRZTCKRQHF-GFCCVEGCSA-N -1 1 286.422 2.537 20 0 CFADMM CCC1(CO)CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000270900100 385262022 /nfs/dbraw/zinc/26/20/22/385262022.db2.gz GFQPVKOORHNLPQ-UHFFFAOYSA-N -1 1 297.782 2.670 20 0 CFADMM CC[C@](C)(OC)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000288962538 197201581 /nfs/dbraw/zinc/20/15/81/197201581.db2.gz DEWOTXIRRUZBFH-ZDUSSCGKSA-N -1 1 266.272 2.853 20 0 CFADMM CCCCC[C@@H](C)CC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000283183906 385444851 /nfs/dbraw/zinc/44/48/51/385444851.db2.gz MAUYOABGHXTMEL-NODXGKJPSA-N -1 1 288.395 2.887 20 0 CFADMM C[C@H]1OCCC[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000288943061 197197701 /nfs/dbraw/zinc/19/77/01/197197701.db2.gz BDVJNYYROYQXIU-SCZZXKLOSA-N -1 1 278.283 2.864 20 0 CFADMM O=C(N[C@H]1CCc2ccccc2C1)c1ccc([O-])c(F)c1 ZINC000681015151 542399486 /nfs/dbraw/zinc/39/94/86/542399486.db2.gz BBADYEXVPKYJBC-AWEZNQCLSA-N -1 1 285.318 2.819 20 0 CFADMM Cc1ccccc1CCNC(=O)c1ccc([O-])c(F)c1 ZINC000681016531 542399508 /nfs/dbraw/zinc/39/95/08/542399508.db2.gz QKKWZGUHPZENSA-UHFFFAOYSA-N -1 1 273.307 2.812 20 0 CFADMM COc1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681015801 542399749 /nfs/dbraw/zinc/39/97/49/542399749.db2.gz RGBSRKSLFGFIGM-UHFFFAOYSA-N -1 1 261.252 2.792 20 0 CFADMM CON(CC(C)(C)C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000286487292 385632952 /nfs/dbraw/zinc/63/29/52/385632952.db2.gz LWKUZQXITYSHKJ-UHFFFAOYSA-N -1 1 288.347 2.990 20 0 CFADMM N=c1[n-]nc(C2CCN(Cc3cc4ccccc4o3)CC2)o1 ZINC000639737949 385685767 /nfs/dbraw/zinc/68/57/67/385685767.db2.gz DVWDKJBINNKOBD-UHFFFAOYSA-N -1 1 298.346 2.608 20 0 CFADMM CC[C@H](C)C[C@@H](C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000288649966 197136172 /nfs/dbraw/zinc/13/61/72/197136172.db2.gz GBQIGPHYENJASC-WDEREUQCSA-N -1 1 263.337 2.516 20 0 CFADMM CC(C)[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ncon1 ZINC000286942323 385746202 /nfs/dbraw/zinc/74/62/02/385746202.db2.gz FDQRFEUYQWYKSA-NSHDSACASA-N -1 1 295.726 2.556 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]1c1cc[nH]n1 ZINC000287179435 385796562 /nfs/dbraw/zinc/79/65/62/385796562.db2.gz SQQCDABBBLNOAW-LBPRGKRZSA-N -1 1 291.738 2.746 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CC2(C1)CCCCC2 ZINC000274988779 385907732 /nfs/dbraw/zinc/90/77/32/385907732.db2.gz YRXLGFKOVAIVCL-UHFFFAOYSA-N -1 1 263.312 2.938 20 0 CFADMM CCC1(CNC(=O)C(=O)c2ccc([O-])cc2)CCCC1 ZINC000288538379 197106666 /nfs/dbraw/zinc/10/66/66/197106666.db2.gz VRFMBSOVANPQPC-UHFFFAOYSA-N -1 1 275.348 2.662 20 0 CFADMM O=C(Nc1nnc(C(F)F)s1)c1ccc([O-])c(F)c1 ZINC000681022535 542401379 /nfs/dbraw/zinc/40/13/79/542401379.db2.gz LVSCXKPJVSZQBR-UHFFFAOYSA-N -1 1 289.238 2.573 20 0 CFADMM COC[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(C)o1 ZINC000681051589 542404410 /nfs/dbraw/zinc/40/44/10/542404410.db2.gz BETGFLFBBFPTCG-LBPRGKRZSA-N -1 1 293.294 2.550 20 0 CFADMM CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc([O-])c(F)c2)C1(C)C ZINC000681051651 542404650 /nfs/dbraw/zinc/40/46/50/542404650.db2.gz FOBXBAHCHXZTHW-CZUORRHYSA-N -1 1 295.354 2.807 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCC(C(F)(F)F)CC1 ZINC000681049916 542404739 /nfs/dbraw/zinc/40/47/39/542404739.db2.gz PECAEGHLKQSKMN-UHFFFAOYSA-N -1 1 291.244 2.946 20 0 CFADMM C[C@H]1C[C@@H]1c1cc(NC(=O)c2ccc([O-])c(F)c2)n[nH]1 ZINC000681090559 542409211 /nfs/dbraw/zinc/40/92/11/542409211.db2.gz RRFXLKNHKTZJGJ-CBAPKCEASA-N -1 1 275.283 2.630 20 0 CFADMM CCc1cnccc1[C@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681064048 542406800 /nfs/dbraw/zinc/40/68/00/542406800.db2.gz LZZMKTLEWPKYRD-JTQLQIEISA-N -1 1 288.322 2.980 20 0 CFADMM Cc1csc([C@@H](C)CNC(=O)c2ccc([O-])c(F)c2)n1 ZINC000681068550 542407257 /nfs/dbraw/zinc/40/72/57/542407257.db2.gz STANYBDWMXGQPS-QMMMGPOBSA-N -1 1 294.351 2.830 20 0 CFADMM Cc1noc(C2CC2)c1NC(=O)c1ccc([O-])c(F)c1 ZINC000681069220 542407368 /nfs/dbraw/zinc/40/73/68/542407368.db2.gz WLQGYMUECUUYMN-UHFFFAOYSA-N -1 1 276.267 2.957 20 0 CFADMM Cc1csc([C@H](C)CNC(=O)c2ccc([O-])c(F)c2)n1 ZINC000681068549 542407560 /nfs/dbraw/zinc/40/75/60/542407560.db2.gz STANYBDWMXGQPS-MRVPVSSYSA-N -1 1 294.351 2.830 20 0 CFADMM Cc1coc2ccc(NC(=O)C3=C([O-])C(C)N=N3)cc12 ZINC000681375986 542445862 /nfs/dbraw/zinc/44/58/62/542445862.db2.gz KMQBXRNCINNEFO-UHFFFAOYSA-N -1 1 271.276 2.731 20 0 CFADMM CCOc1nc(C(=O)[N-]c2cc(-c3ccccc3)on2)co1 ZINC000681524935 542460836 /nfs/dbraw/zinc/46/08/36/542460836.db2.gz BJFIUEZCILSXNQ-UHFFFAOYSA-N -1 1 299.286 2.981 20 0 CFADMM C[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000287596988 196895586 /nfs/dbraw/zinc/89/55/86/196895586.db2.gz RWUXJAFMHZDHMD-DGCLKSJQSA-N -1 1 275.348 2.517 20 0 CFADMM O=C(NC1(c2ccc(F)cc2)CCC1)c1ncccc1[O-] ZINC000681716350 542481946 /nfs/dbraw/zinc/48/19/46/542481946.db2.gz FMRWFVDWLGLOMW-UHFFFAOYSA-N -1 1 286.306 2.736 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@H]2c2cccc(F)c2)c([O-])c1 ZINC000681736312 542483265 /nfs/dbraw/zinc/48/32/65/542483265.db2.gz UDVKDWXJOOXPAO-ZDUSSCGKSA-N -1 1 286.306 2.822 20 0 CFADMM C[C@@H]1CCN(Cc2nc(C(C)(C)C)cs2)C[C@H]1C(=O)[O-] ZINC000517741289 260014062 /nfs/dbraw/zinc/01/40/62/260014062.db2.gz HDXZERZBIMZUOM-GHMZBOCLSA-N -1 1 296.436 2.983 20 0 CFADMM CC(C)C(C)(C)CNC(=O)c1ccc([O-])c(F)c1 ZINC000682172370 542532820 /nfs/dbraw/zinc/53/28/20/542532820.db2.gz SRDCZACDVXXKLU-UHFFFAOYSA-N -1 1 253.317 2.943 20 0 CFADMM C[C@@H](CC(=O)Nc1ccc([O-])c(Cl)c1)c1cnn(C)c1 ZINC000413651015 533445671 /nfs/dbraw/zinc/44/56/71/533445671.db2.gz HCZIMAHHXREBMH-VIFPVBQESA-N -1 1 293.754 2.911 20 0 CFADMM Cc1ccccc1-c1noc([C@@H](C)N(C)CCC(=O)[O-])n1 ZINC000262667915 131248502 /nfs/dbraw/zinc/24/85/02/131248502.db2.gz QFRRAMXEKNOHFP-LLVKDONJSA-N -1 1 289.335 2.513 20 0 CFADMM CC(C)(C)c1nc(S(=O)(=O)CCC2CCCCC2)n[n-]1 ZINC000683688401 542708974 /nfs/dbraw/zinc/70/89/74/542708974.db2.gz NQOKMMZEHNFSFG-UHFFFAOYSA-N -1 1 299.440 2.846 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c(C)c1 ZINC000268503905 132019307 /nfs/dbraw/zinc/01/93/07/132019307.db2.gz TYEZNAWRLRCVMN-UHFFFAOYSA-N -1 1 291.376 2.705 20 0 CFADMM O=C(NCc1ccco1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180327822 393480859 /nfs/dbraw/zinc/48/08/59/393480859.db2.gz IJSXRGAJVPOARF-UHFFFAOYSA-N -1 1 285.221 2.934 20 0 CFADMM O=C(Nc1nccn1-c1ccccc1)c1ccc([O-])c(F)c1 ZINC000684320857 542786805 /nfs/dbraw/zinc/78/68/05/542786805.db2.gz LGTDGGRWGLPQOS-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc([O-])c(F)c1 ZINC000684335079 542789149 /nfs/dbraw/zinc/78/91/49/542789149.db2.gz BBCBNEDDPNBCBE-APPZFPTMSA-N -1 1 291.244 2.944 20 0 CFADMM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc([O-])c(F)c1 ZINC000684335082 542789375 /nfs/dbraw/zinc/78/93/75/542789375.db2.gz BBCBNEDDPNBCBE-IONNQARKSA-N -1 1 291.244 2.944 20 0 CFADMM CC(C)OC1CCC(NC(=O)c2ccc([O-])cc2F)CC1 ZINC000165288848 542815124 /nfs/dbraw/zinc/81/51/24/542815124.db2.gz HAFRADAWKCKING-UHFFFAOYSA-N -1 1 295.354 2.997 20 0 CFADMM CCC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068447324 393634145 /nfs/dbraw/zinc/63/41/45/393634145.db2.gz JQIUYAAOJWAGHS-UHFFFAOYSA-N -1 1 282.413 2.638 20 0 CFADMM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084937828 393751326 /nfs/dbraw/zinc/75/13/26/393751326.db2.gz DYSYOBHVHFIWGS-PWSUYJOCSA-N -1 1 279.361 2.900 20 0 CFADMM CCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000077612320 393701036 /nfs/dbraw/zinc/70/10/36/393701036.db2.gz BUVRZQKSVNKQRQ-UHFFFAOYSA-N -1 1 294.351 2.879 20 0 CFADMM CCCc1cc(=O)[n-]c(SCCc2cccnc2)n1 ZINC000194967574 393725955 /nfs/dbraw/zinc/72/59/55/393725955.db2.gz DZCGMPBGOKDNTH-UHFFFAOYSA-N -1 1 275.377 2.865 20 0 CFADMM C[C@H](CC(F)F)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000411574460 393727459 /nfs/dbraw/zinc/72/74/59/393727459.db2.gz VHKOWJBXUPCXEZ-SSDOTTSWSA-N -1 1 285.319 2.790 20 0 CFADMM O=c1[n-]c(CN2CCCCC[C@H]2/C=C/c2ccccc2)n[nH]1 ZINC000092619072 393790312 /nfs/dbraw/zinc/79/03/12/393790312.db2.gz FBEBFRHJWXTENC-NKSUMMKUSA-N -1 1 298.390 2.556 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299.305 2.979 20 0 CFADMM O=C(N[C@@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1[O-] ZINC000269072459 394002180 /nfs/dbraw/zinc/00/21/80/394002180.db2.gz UWDATSZLOLSZOR-LLVKDONJSA-N -1 1 295.766 2.877 20 0 CFADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1cc[nH]c(=O)c1 ZINC000436976237 394039476 /nfs/dbraw/zinc/03/94/76/394039476.db2.gz OUVLNUCYVQGASP-QMMMGPOBSA-N -1 1 292.722 2.637 20 0 CFADMM Cc1c(NC(=O)c2cc(F)ccc2[O-])cnn1CC(C)C ZINC000436965503 394039800 /nfs/dbraw/zinc/03/98/00/394039800.db2.gz SNLPJHRDYMMBJU-UHFFFAOYSA-N -1 1 291.326 2.945 20 0 CFADMM COC1(CNC(=O)c2c([O-])cccc2F)CCC(C)CC1 ZINC000437001025 394042907 /nfs/dbraw/zinc/04/29/07/394042907.db2.gz UYCOXFMEUKJRTH-UHFFFAOYSA-N -1 1 295.354 2.856 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CCc2ncsc2C1 ZINC000438687177 394080048 /nfs/dbraw/zinc/08/00/48/394080048.db2.gz LVIQGVDACDEZSF-UHFFFAOYSA-N -1 1 294.763 2.701 20 0 CFADMM CC(=O)c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)n(C)c1 ZINC000129597654 394091570 /nfs/dbraw/zinc/09/15/70/394091570.db2.gz 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C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@H]1C ZINC000647312120 395285088 /nfs/dbraw/zinc/28/50/88/395285088.db2.gz URSNIYCWQWPVLO-YUMQZZPRSA-N -1 1 273.254 2.891 20 0 CFADMM Cc1cc(N[C@@H]2CC[C@H](C(=O)[O-])C2)c2cc(F)ccc2n1 ZINC000647459473 395342050 /nfs/dbraw/zinc/34/20/50/395342050.db2.gz GTCFQUVSWCJDEY-CMPLNLGQSA-N -1 1 288.322 2.769 20 0 CFADMM CN(CCC(C)(C)C)C(=O)c1cc(F)cc2nn[nH]c21 ZINC000649027950 395406475 /nfs/dbraw/zinc/40/64/75/395406475.db2.gz GNXKBXDVUDFUMJ-UHFFFAOYSA-N -1 1 278.331 2.605 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000647816429 395440080 /nfs/dbraw/zinc/44/00/80/395440080.db2.gz IMDKMUFTLZJIJQ-UHFFFAOYSA-N -1 1 283.287 2.936 20 0 CFADMM CCc1ccc(C(C)(C)C(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC000647816348 395440135 /nfs/dbraw/zinc/44/01/35/395440135.db2.gz GCIICVIQNBMMPH-UHFFFAOYSA-N -1 1 287.363 2.902 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000647816291 395440507 /nfs/dbraw/zinc/44/05/07/395440507.db2.gz 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ZINC000427160456 534784706 /nfs/dbraw/zinc/78/47/06/534784706.db2.gz PBRCKMFCSBBGOG-LLVKDONJSA-N -1 1 288.269 2.638 20 0 CFADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000075544648 524573676 /nfs/dbraw/zinc/57/36/76/524573676.db2.gz UNBOMUNGVTVECL-GHMZBOCLSA-N -1 1 285.347 2.596 20 0 CFADMM COc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1F ZINC000048655216 524698854 /nfs/dbraw/zinc/69/88/54/524698854.db2.gz SNEJGCVJNRKDDY-UHFFFAOYSA-N -1 1 299.298 2.774 20 0 CFADMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000340873113 524704169 /nfs/dbraw/zinc/70/41/69/524704169.db2.gz QPLJGALLTQFIRY-SCZZXKLOSA-N -1 1 291.775 2.946 20 0 CFADMM C[C@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[O-])c2nccn21 ZINC000335178168 524799501 /nfs/dbraw/zinc/79/95/01/524799501.db2.gz XDDIPAPOMGINLE-GZMMTYOYSA-N -1 1 291.738 2.678 20 0 CFADMM Cc1ccccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000336143666 525231320 /nfs/dbraw/zinc/23/13/20/525231320.db2.gz OEQPXZOBOOQEFC-UHFFFAOYSA-N -1 1 255.273 2.522 20 0 CFADMM Cc1cc(NC(=O)c2cncc([O-])c2)c(C)c(C)c1O ZINC000354876515 525258723 /nfs/dbraw/zinc/25/87/23/525258723.db2.gz DPUUGEVUTXTBIQ-UHFFFAOYSA-N -1 1 272.304 2.670 20 0 CFADMM Cc1cc(NCc2cccc([O-])c2Cl)nn1C ZINC000328483653 525278891 /nfs/dbraw/zinc/27/88/91/525278891.db2.gz SJOGODHOCCIEFH-UHFFFAOYSA-N -1 1 251.717 2.700 20 0 CFADMM C[C@]1(c2nc(-c3ccc([O-])cc3F)no2)CC1(F)F ZINC000334999231 525339305 /nfs/dbraw/zinc/33/93/05/525339305.db2.gz FIGHKWHDUIUBLH-LLVKDONJSA-N -1 1 270.210 2.878 20 0 CFADMM Cc1ccccc1[C@@H](C(C)C)N(C)Cc1n[nH]c(=O)[n-]1 ZINC000340886294 525341940 /nfs/dbraw/zinc/34/19/40/525341940.db2.gz FFEFVOVDEYAOQP-CQSZACIVSA-N -1 1 274.368 2.648 20 0 CFADMM C[C@@H]1C[C@H]1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000228316625 525486807 /nfs/dbraw/zinc/48/68/07/525486807.db2.gz TXJTWVFZWITMDI-APPZFPTMSA-N -1 1 284.153 2.541 20 0 CFADMM Cc1ccnc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000311361661 525638018 /nfs/dbraw/zinc/63/80/18/525638018.db2.gz OZNIOMCYHZGCBH-UHFFFAOYSA-N -1 1 280.324 2.638 20 0 CFADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccccc1 ZINC000077898253 525813794 /nfs/dbraw/zinc/81/37/94/525813794.db2.gz KHNHFKZBBWYXPM-UHFFFAOYSA-N -1 1 265.309 2.935 20 0 CFADMM COc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1OC ZINC000340331145 525833707 /nfs/dbraw/zinc/83/37/07/525833707.db2.gz ZNGFGJKJOSUKSB-UHFFFAOYSA-N -1 1 291.278 2.801 20 0 CFADMM CS[C@H](C)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000133144681 525884890 /nfs/dbraw/zinc/88/48/90/525884890.db2.gz DYNTUMZTCOMYLP-SSDOTTSWSA-N -1 1 297.804 2.509 20 0 CFADMM Cc1cnc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c([O-])c1 ZINC000336024153 525966075 /nfs/dbraw/zinc/96/60/75/525966075.db2.gz OSJJZZCKFYGYQG-OAHLLOKOSA-N -1 1 296.370 2.725 20 0 CFADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccccc1C ZINC000334771730 526120139 /nfs/dbraw/zinc/12/01/39/526120139.db2.gz PUMVOZLAUFZZRK-UHFFFAOYSA-N -1 1 295.335 2.944 20 0 CFADMM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cncc([O-])c1 ZINC000339918221 526221819 /nfs/dbraw/zinc/22/18/19/526221819.db2.gz BAFOBFRJECNTSZ-GXFFZTMASA-N -1 1 262.353 2.732 20 0 CFADMM C[C@H]1CCCC[C@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000335131148 526260128 /nfs/dbraw/zinc/26/01/28/526260128.db2.gz SYKCDQYOKVJNHO-NKWVEPMBSA-N -1 1 276.262 2.588 20 0 CFADMM O=C([O-])[C@H](NCc1cccc(F)c1F)c1ccccc1 ZINC000050511840 526314375 /nfs/dbraw/zinc/31/43/75/526314375.db2.gz VCNVUSMJTWFXGD-CQSZACIVSA-N -1 1 277.270 2.880 20 0 CFADMM O=C([O-])[C@H]1CCN(Cc2csc(-c3ccccc3)n2)C1 ZINC000062134200 526328314 /nfs/dbraw/zinc/32/83/14/526328314.db2.gz MOSHJPIHIGCQJL-LBPRGKRZSA-N -1 1 288.372 2.717 20 0 CFADMM O=C(c1c(F)ccc([O-])c1F)N1CC(C2CCC2)C1 ZINC000335084776 526576137 /nfs/dbraw/zinc/57/61/37/526576137.db2.gz HDOGYAMAPAFVMD-UHFFFAOYSA-N -1 1 267.275 2.543 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000335161678 526622416 /nfs/dbraw/zinc/62/24/16/526622416.db2.gz IPUSQBNRLLHUFQ-HIFRSBDPSA-N -1 1 275.323 2.792 20 0 CFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H]1C(C)C ZINC000334187411 526660060 /nfs/dbraw/zinc/66/00/60/526660060.db2.gz HXEZFNUHYORSMB-LLVKDONJSA-N -1 1 291.395 2.659 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](C2CC2)C1 ZINC000336157093 526679945 /nfs/dbraw/zinc/67/99/45/526679945.db2.gz FTGITYBIPLDVPP-JTQLQIEISA-N -1 1 265.740 2.918 20 0 CFADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)C2CC=CC2)CC1 ZINC000077612652 526703474 /nfs/dbraw/zinc/70/34/74/526703474.db2.gz OWKHLHWRFLPQFU-UHFFFAOYSA-N -1 1 299.370 2.780 20 0 CFADMM Cc1nsc([N-]C(=O)c2ccc(F)c(F)c2F)n1 ZINC000078754200 526713934 /nfs/dbraw/zinc/71/39/34/526713934.db2.gz UUNQXHFFIRYSMG-UHFFFAOYSA-N -1 1 273.239 2.516 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1CCO ZINC000313796624 526734167 /nfs/dbraw/zinc/73/41/67/526734167.db2.gz FBRRBMJSEZHBRI-CYBMUJFWSA-N -1 1 285.343 2.532 20 0 CFADMM O=C(c1ccccc1[O-])N1CCc2cc(F)c(F)cc21 ZINC000334205684 526809371 /nfs/dbraw/zinc/80/93/71/526809371.db2.gz VATLNDLUCIPXGI-UHFFFAOYSA-N -1 1 275.254 2.873 20 0 CFADMM Cc1sc(CNC(=O)c2cncc([O-])c2)nc1C(C)C ZINC000339935966 526877441 /nfs/dbraw/zinc/87/74/41/526877441.db2.gz HUMPAJQWOMLDRQ-UHFFFAOYSA-N -1 1 291.376 2.606 20 0 CFADMM O=C(N[C@@H]1COc2ccc(F)cc21)c1ccc([O-])cc1F ZINC000336157664 526961347 /nfs/dbraw/zinc/96/13/47/526961347.db2.gz VUCJBWYHKJKJEG-CYBMUJFWSA-N -1 1 291.253 2.534 20 0 CFADMM O=C(N[C@@H]1C[C@H]1C1CCC1)c1c(F)ccc([O-])c1F ZINC000335104708 526970381 /nfs/dbraw/zinc/97/03/81/526970381.db2.gz IWOYIRPMACZJNH-WCBMZHEXSA-N -1 1 267.275 2.589 20 0 CFADMM Cc1nc(S[C@@H]2C[C@@H](C)O[C@@H](C)C2)[n-]c(=O)c1C ZINC000338564856 527023009 /nfs/dbraw/zinc/02/30/09/527023009.db2.gz XSHHVDZBNIYEBS-AKZRSSKFSA-N -1 1 268.382 2.847 20 0 CFADMM O=C(CSCc1cccnc1)Nc1ccc(F)cc1[O-] ZINC000340331428 527027798 /nfs/dbraw/zinc/02/77/98/527027798.db2.gz RXKMFQAZSLLHJC-UHFFFAOYSA-N -1 1 292.335 2.798 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(-n2cccn2)cc1 ZINC000340326954 527213397 /nfs/dbraw/zinc/21/33/97/527213397.db2.gz GQHPBNIMNHHIIG-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM O=S(=O)([N-]CC1CCC1)c1cc(Cl)ccc1F ZINC000340859949 527213686 /nfs/dbraw/zinc/21/36/86/527213686.db2.gz HLYZGHFINXEPLL-UHFFFAOYSA-N -1 1 277.748 2.558 20 0 CFADMM O=S(=O)([N-]CCC(F)(F)F)c1ccc(Cl)s1 ZINC000360848703 527213878 /nfs/dbraw/zinc/21/38/78/527213878.db2.gz WHNCHFQMGADVKW-UHFFFAOYSA-N -1 1 293.719 2.632 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCSC1 ZINC000082879640 527235478 /nfs/dbraw/zinc/23/54/78/527235478.db2.gz RXCBPFGVTFRHBZ-SSDOTTSWSA-N -1 1 257.742 2.737 20 0 CFADMM Cc1ncsc1CN(C)C(=O)c1c(F)ccc([O-])c1F ZINC000335724784 527497576 /nfs/dbraw/zinc/49/75/76/527497576.db2.gz MTVLLRWVJCRCLQ-UHFFFAOYSA-N -1 1 298.314 2.708 20 0 CFADMM CC(C)(C)C[C@H](O)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000172305875 527703470 /nfs/dbraw/zinc/70/34/70/527703470.db2.gz ZHQSIVLIYBKWNM-JTQLQIEISA-N -1 1 285.771 2.573 20 0 CFADMM CCO[C@H]1C[C@@H](NC(=O)c2cncc([O-])c2)C1(CC)CC ZINC000175454179 528095806 /nfs/dbraw/zinc/09/58/06/528095806.db2.gz OTZDJOIVIYXEDI-KGLIPLIRSA-N -1 1 292.379 2.501 20 0 CFADMM CCC[C@H](NC(=O)C[C@H](C)C1CCCCC1)c1nn[n-]n1 ZINC000176750419 528177454 /nfs/dbraw/zinc/17/74/54/528177454.db2.gz OORZHTYYCMTEBI-AAEUAGOBSA-N -1 1 293.415 2.764 20 0 CFADMM CCC[C@H](NC(=O)[C@H](CC)CC1CCCC1)c1nn[n-]n1 ZINC000413598739 528199563 /nfs/dbraw/zinc/19/95/63/528199563.db2.gz YYTPWSCAOYFSFC-OLZOCXBDSA-N -1 1 293.415 2.764 20 0 CFADMM CCC(CC)(CCO)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000155605176 528643450 /nfs/dbraw/zinc/64/34/50/528643450.db2.gz YKXSYUXLXJKRRE-UHFFFAOYSA-N -1 1 299.798 2.964 20 0 CFADMM CCCc1csc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)n1 ZINC000422629990 528667822 /nfs/dbraw/zinc/66/78/22/528667822.db2.gz AMRNHCCLYYDUTQ-QWRGUYRKSA-N -1 1 282.409 2.781 20 0 CFADMM CC(C)(C)OC1CC(CCNC(=O)c2cncc([O-])c2)C1 ZINC000355345748 534965090 /nfs/dbraw/zinc/96/50/90/534965090.db2.gz QZNQLTUJYANQCD-UHFFFAOYSA-N -1 1 292.379 2.501 20 0 CFADMM CC(C)(CCO)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000268642828 535045860 /nfs/dbraw/zinc/04/58/60/535045860.db2.gz NRQFLTXOLWRNCN-UHFFFAOYSA-N -1 1 287.359 2.684 20 0 CFADMM CC[C@@H](C)C(=O)N=c1cc(-c2cc(C)ccc2F)[n-][nH]1 ZINC000444787845 535459197 /nfs/dbraw/zinc/45/91/97/535459197.db2.gz SQEWSUFFBBXKBJ-SNVBAGLBSA-N -1 1 275.327 2.931 20 0 CFADMM CCC[C@H](C(=O)Nc1ncc(C(=O)OCC)[n-]1)C(C)C ZINC000510002542 535585323 /nfs/dbraw/zinc/58/53/23/535585323.db2.gz NBFMYVBSKYRGPL-JTQLQIEISA-N -1 1 281.356 2.597 20 0 CFADMM CC[C@@H](C)[C@@H](NC(=O)c1ncc(C)cc1[O-])C(F)(F)F ZINC000444552858 535664018 /nfs/dbraw/zinc/66/40/18/535664018.db2.gz UWBCWZYKFFENED-LDYMZIIASA-N -1 1 290.285 2.802 20 0 CFADMM CC[C@H](NC(=O)c1ccc(Cl)cc1[O-])C(F)F ZINC000452257810 535874246 /nfs/dbraw/zinc/87/42/46/535874246.db2.gz WMKDICMSAVPPEK-QMMMGPOBSA-N -1 1 263.671 2.819 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)CCc2ccccc2)c1 ZINC000436511463 536790936 /nfs/dbraw/zinc/79/09/36/536790936.db2.gz WLLMWYUHXPDWSB-UHFFFAOYSA-N -1 1 299.326 2.750 20 0 CFADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])C1CCC1 ZINC000160222923 545515284 /nfs/dbraw/zinc/51/52/84/545515284.db2.gz OQQPQUWDKCNREU-MRVPVSSYSA-N -1 1 253.729 2.964 20 0 CFADMM Cc1oc(CN2CCS[C@H](C)[C@H]2C)cc1C(=O)[O-] ZINC000228976365 545534820 /nfs/dbraw/zinc/53/48/20/545534820.db2.gz AZZPHZQMLVODKD-PSASIEDQSA-N -1 1 269.366 2.612 20 0 CFADMM CCCC(CCC)Sc1nccnc1-c1nn[n-]n1 ZINC000736425094 574051052 /nfs/dbraw/zinc/05/10/52/574051052.db2.gz ARWSKKVSUCHZKY-UHFFFAOYSA-N -1 1 278.385 2.718 20 0 CFADMM CCCC[C@H](CC)CC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000736436969 574052812 /nfs/dbraw/zinc/05/28/12/574052812.db2.gz BVVWVWCXILMVJQ-LBPRGKRZSA-N -1 1 293.415 2.512 20 0 CFADMM CC(C)N(CCC(=O)[O-])Cn1ccn(C(C)C)c1=S ZINC000736468760 574056896 /nfs/dbraw/zinc/05/68/96/574056896.db2.gz VLBLDUUEBKABRU-UHFFFAOYSA-N -1 1 285.413 2.743 20 0 CFADMM CC1(C)CN(Cc2ccc(F)cc2C(=O)[O-])C(C)(C)CO1 ZINC000736736091 574069545 /nfs/dbraw/zinc/06/95/45/574069545.db2.gz VBRXBNHPTDPFPN-UHFFFAOYSA-N -1 1 295.354 2.913 20 0 CFADMM Cc1cccc(Cl)c1CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000754208894 574082752 /nfs/dbraw/zinc/08/27/52/574082752.db2.gz SBGJSYYTEJXCAG-CQSZACIVSA-N -1 1 283.755 2.765 20 0 CFADMM O=C([N-]Cc1nc2c(s1)CCCC2)C(F)(F)C(F)F ZINC000754269372 574085159 /nfs/dbraw/zinc/08/51/59/574085159.db2.gz AKLXTCQGONFBOP-UHFFFAOYSA-N -1 1 296.289 2.539 20 0 CFADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1nnc2ccccc2c1O ZINC000744764956 574086020 /nfs/dbraw/zinc/08/60/20/574086020.db2.gz YPVIXCVMGGVGMZ-WDEREUQCSA-N -1 1 285.347 2.596 20 0 CFADMM CC(C)[C@H](O)C(C)(C)CNC(=O)c1c([O-])cccc1Cl ZINC000754487141 574097442 /nfs/dbraw/zinc/09/74/42/574097442.db2.gz DEKAJMPTJZCKRW-ZDUSSCGKSA-N -1 1 299.798 2.819 20 0 CFADMM Cc1ccccc1C[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000737428217 574140131 /nfs/dbraw/zinc/14/01/31/574140131.db2.gz VAODAFQPYMLEBT-LBPRGKRZSA-N -1 1 294.362 2.613 20 0 CFADMM Cc1ccccc1C[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000737428217 574140134 /nfs/dbraw/zinc/14/01/34/574140134.db2.gz VAODAFQPYMLEBT-LBPRGKRZSA-N -1 1 294.362 2.613 20 0 CFADMM CC(C)c1ncc(C(=O)[N-]c2nc(C3CC3)no2)s1 ZINC000746292799 574143777 /nfs/dbraw/zinc/14/37/77/574143777.db2.gz DBIBZPSWKHBHLU-UHFFFAOYSA-N -1 1 278.337 2.779 20 0 CFADMM Cc1n[n-]cc1S(=O)(=O)Oc1cccc(C(C)(C)C)c1 ZINC000732215326 574147615 /nfs/dbraw/zinc/14/76/15/574147615.db2.gz NFYKADWAKXWRIZ-UHFFFAOYSA-N -1 1 294.376 2.783 20 0 CFADMM Cc1cccc(CNCc2ccc(C(=O)[O-])o2)c1C ZINC000738716839 574152679 /nfs/dbraw/zinc/15/26/79/574152679.db2.gz DLKNFUQBSZFYMM-UHFFFAOYSA-N -1 1 259.305 2.884 20 0 CFADMM Cc1[nH]c(C(=O)CN(CC2CC2)C(C)C)c(C)c1C(=O)[O-] ZINC000738153543 574158328 /nfs/dbraw/zinc/15/83/28/574158328.db2.gz NNRSIXQBUCILLH-UHFFFAOYSA-N -1 1 292.379 2.633 20 0 CFADMM Cc1ccc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)c(C(=O)[O-])c1 ZINC000738622207 574176731 /nfs/dbraw/zinc/17/67/31/574176731.db2.gz PMONZRIVFHFSSM-RYUDHWBXSA-N -1 1 290.363 2.505 20 0 CFADMM Cc1ccc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c(C(=O)[O-])c1 ZINC000738622208 574176779 /nfs/dbraw/zinc/17/67/79/574176779.db2.gz PMONZRIVFHFSSM-TXEJJXNPSA-N -1 1 290.363 2.505 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccsc1 ZINC000747208349 574187537 /nfs/dbraw/zinc/18/75/37/574187537.db2.gz XQMXBFAIYWCNFY-UHFFFAOYSA-N -1 1 291.376 2.606 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1Cc2ccccc2C1 ZINC000747383052 574193736 /nfs/dbraw/zinc/19/37/36/574193736.db2.gz HSDHRACVTOWVNT-UHFFFAOYSA-N -1 1 297.358 2.770 20 0 CFADMM Cn1cccc1[C@H]1CCCN1Cc1cc(C(=O)[O-])co1 ZINC000739042998 574194689 /nfs/dbraw/zinc/19/46/89/574194689.db2.gz LTHCSZVDZUYUBQ-CQSZACIVSA-N -1 1 274.320 2.653 20 0 CFADMM C[C@@H](c1ccc(F)cc1F)N(C)CCCNC(=O)[O-] ZINC000739055090 574195640 /nfs/dbraw/zinc/19/56/40/574195640.db2.gz CRLVFIYOLHZFGA-VIFPVBQESA-N -1 1 272.295 2.615 20 0 CFADMM C[C@H](c1ccc(Cl)cc1)N1CC[C@H](NC(=O)[O-])C1 ZINC000739055320 574195661 /nfs/dbraw/zinc/19/56/61/574195661.db2.gz WNEKYVKIGPTKNC-SKDRFNHKSA-N -1 1 268.744 2.743 20 0 CFADMM C[C@H](c1cccc(F)c1)N1CCCN(C(=O)[O-])CC1 ZINC000739060247 574196080 /nfs/dbraw/zinc/19/60/80/574196080.db2.gz WXIZQPBGNCPXHO-LLVKDONJSA-N -1 1 266.316 2.572 20 0 CFADMM C[C@@]1(NC(=O)c2c([O-])cccc2Cl)CCO[C@@H]1C1CC1 ZINC000753360329 574200379 /nfs/dbraw/zinc/20/03/79/574200379.db2.gz LHLCDGOQWQVEQV-UKRRQHHQSA-N -1 1 295.766 2.733 20 0 CFADMM CN(CCC1CC1)C(=O)c1c([O-])cccc1Cl ZINC000747616449 574203125 /nfs/dbraw/zinc/20/31/25/574203125.db2.gz KHGKQHKBMUFJIL-UHFFFAOYSA-N -1 1 253.729 2.918 20 0 CFADMM CCN(C[C@@H]1CCCO1)C(=O)c1c([O-])cccc1Cl ZINC000747875565 574216413 /nfs/dbraw/zinc/21/64/13/574216413.db2.gz NXGMGLKFTISZHK-JTQLQIEISA-N -1 1 283.755 2.687 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(O)cc1 ZINC000747928126 574220265 /nfs/dbraw/zinc/22/02/65/574220265.db2.gz GHFQLSTVDQTYLU-UHFFFAOYSA-N -1 1 287.319 2.572 20 0 CFADMM CN(Cc1ccc(F)cc1F)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739709296 574223751 /nfs/dbraw/zinc/22/37/51/574223751.db2.gz FNGNGKNKQUAMFA-LLVKDONJSA-N -1 1 298.333 2.787 20 0 CFADMM CN(C(=O)c1cc2ccccc2cc1[O-])c1cn[nH]c1 ZINC000747999417 574224688 /nfs/dbraw/zinc/22/46/88/574224688.db2.gz NIKYEODCBATYBV-UHFFFAOYSA-N -1 1 267.288 2.545 20 0 CFADMM CSc1ccc(CN2CCC[C@@H](N(C)C(=O)[O-])C2)cc1 ZINC000740015493 574232197 /nfs/dbraw/zinc/23/21/97/574232197.db2.gz BIWBSILVXBOWTF-CYBMUJFWSA-N -1 1 294.420 2.983 20 0 CFADMM O=C([O-])N1CC[C@@H](NCc2c(Cl)cccc2Cl)C1 ZINC000740504737 574252388 /nfs/dbraw/zinc/25/23/88/574252388.db2.gz BWCYAFIXLBMQHW-MRVPVSSYSA-N -1 1 289.162 2.835 20 0 CFADMM O=C([N-]Cc1ccccn1)C(F)(F)c1c(F)cccc1F ZINC000756843564 574267227 /nfs/dbraw/zinc/26/72/27/574267227.db2.gz HHLQPMHROLIVJR-UHFFFAOYSA-N -1 1 298.239 2.768 20 0 CFADMM C[C@H](NC(=O)c1ncccc1[O-])c1nc2ccccc2s1 ZINC000734177384 574277125 /nfs/dbraw/zinc/27/71/25/574277125.db2.gz IDGYVLOSTIJDME-VIFPVBQESA-N -1 1 299.355 2.888 20 0 CFADMM CC(C)(C)c1ncc(C(=O)[N-]c2nc(C3CC3)no2)s1 ZINC000734874521 574305724 /nfs/dbraw/zinc/30/57/24/574305724.db2.gz GUAUMZHBBACGRP-UHFFFAOYSA-N -1 1 292.364 2.953 20 0 CFADMM Cc1ccc2oc(C(=O)[N-]c3nc(C4CC4)no3)cc2n1 ZINC000734879821 574305804 /nfs/dbraw/zinc/30/58/04/574305804.db2.gz YZIXEMVOJXNILZ-UHFFFAOYSA-N -1 1 284.275 2.649 20 0 CFADMM O=C(NCC1CCCC1)c1c([O-])cccc1Cl ZINC000749734959 574306369 /nfs/dbraw/zinc/30/63/69/574306369.db2.gz VWJWKUQAIHAQAD-UHFFFAOYSA-N -1 1 253.729 2.966 20 0 CFADMM Cc1cccc2c1C(=O)N[C@@H](c1cc(F)c([O-])c(F)c1)N2 ZINC000749935876 574316505 /nfs/dbraw/zinc/31/65/05/574316505.db2.gz VOXKLQGRHFLBRB-AWEZNQCLSA-N -1 1 290.269 2.833 20 0 CFADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000735397518 574323475 /nfs/dbraw/zinc/32/34/75/574323475.db2.gz CKQUVNWIZJDHIM-INIZCTEOSA-N -1 1 296.378 2.588 20 0 CFADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000735397518 574323477 /nfs/dbraw/zinc/32/34/77/574323477.db2.gz CKQUVNWIZJDHIM-INIZCTEOSA-N -1 1 296.378 2.588 20 0 CFADMM Cn1cc([C@H]([N-]C(=O)C(F)(F)C(F)F)C(C)(C)C)cn1 ZINC000750190163 574329868 /nfs/dbraw/zinc/32/98/68/574329868.db2.gz JGJISJWDSVASNA-QMMMGPOBSA-N -1 1 295.280 2.524 20 0 CFADMM C[C@@H](c1cc(F)ccc1F)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739053096 574331353 /nfs/dbraw/zinc/33/13/53/574331353.db2.gz JIXAHTPIZCMUMY-WDEREUQCSA-N -1 1 298.333 2.958 20 0 CFADMM CC(C)c1cccc(Oc2nccnc2-c2nn[n-]n2)c1 ZINC000735933478 574342647 /nfs/dbraw/zinc/34/26/47/574342647.db2.gz XAVQFAOJUAELRG-UHFFFAOYSA-N -1 1 282.307 2.572 20 0 CFADMM C[C@H](CN(C)c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000736002955 574346494 /nfs/dbraw/zinc/34/64/94/574346494.db2.gz UQJRCTIEEMOROX-GFCCVEGCSA-N -1 1 294.362 2.502 20 0 CFADMM C[C@H](CN(C)c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000736002955 574346495 /nfs/dbraw/zinc/34/64/95/574346495.db2.gz UQJRCTIEEMOROX-GFCCVEGCSA-N -1 1 294.362 2.502 20 0 CFADMM C[C@@H]1CCC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736247911 574357388 /nfs/dbraw/zinc/35/73/88/574357388.db2.gz BHPUURHDGBKRGM-BDAKNGLRSA-N -1 1 292.774 2.906 20 0 CFADMM C[C@@H]1CCC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736247911 574357389 /nfs/dbraw/zinc/35/73/89/574357389.db2.gz BHPUURHDGBKRGM-BDAKNGLRSA-N -1 1 292.774 2.906 20 0 CFADMM Cc1cccc(F)c1CNC(=O)c1cc(F)ccc1[O-] ZINC000751069545 574369045 /nfs/dbraw/zinc/36/90/45/574369045.db2.gz PETSYLFLXCSBLP-UHFFFAOYSA-N -1 1 277.270 2.909 20 0 CFADMM CC[C@@H](C[N-]C(=O)C(F)(F)F)Oc1ccccc1C ZINC000752743100 574394282 /nfs/dbraw/zinc/39/42/82/574394282.db2.gz JLMRAQVAXKNTRJ-JTQLQIEISA-N -1 1 275.270 2.831 20 0 CFADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@@H]1C ZINC000752806806 574395376 /nfs/dbraw/zinc/39/53/76/574395376.db2.gz CZUXXAILBLLUDO-IUCAKERBSA-N -1 1 253.729 2.774 20 0 CFADMM C[C@@H]1C[C@@H](CCNC(=O)c2c([O-])cccc2Cl)CCO1 ZINC000753152636 574399428 /nfs/dbraw/zinc/39/94/28/574399428.db2.gz YNSBACLFXZYVHN-MNOVXSKESA-N -1 1 297.782 2.981 20 0 CFADMM CCCCN(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900096783 620637734 /nfs/dbraw/zinc/63/77/34/620637734.db2.gz OWHPWBVYCSJSAK-UHFFFAOYSA-N -1 1 276.311 2.952 20 0 CFADMM O=C([O-])CCCCCNCc1occc1Br ZINC000819406552 597137925 /nfs/dbraw/zinc/13/79/25/597137925.db2.gz XXXCDDSGHUCYPA-UHFFFAOYSA-N -1 1 290.157 2.777 20 0 CFADMM CC(C)N(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900117292 620638563 /nfs/dbraw/zinc/63/85/63/620638563.db2.gz BHRGNTAIRWYZQX-UHFFFAOYSA-N -1 1 262.284 2.560 20 0 CFADMM Cc1ccc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)c(C)c1 ZINC000900122094 620639289 /nfs/dbraw/zinc/63/92/89/620639289.db2.gz JGKCHXBGCIQHKG-UHFFFAOYSA-N -1 1 297.358 2.606 20 0 CFADMM CN(CCCCC(=O)[O-])Cc1nc(-c2ccccc2)c[nH]1 ZINC000820592145 597797037 /nfs/dbraw/zinc/79/70/37/597797037.db2.gz MCOAYXRXFCNLOA-UHFFFAOYSA-N -1 1 287.363 2.763 20 0 CFADMM O=C([O-])c1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000204880442 598155387 /nfs/dbraw/zinc/15/53/87/598155387.db2.gz KUNOPSZOAOGZIC-UHFFFAOYSA-N -1 1 281.271 2.513 20 0 CFADMM C[C@H](CC(=O)[O-])N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000820072352 598217320 /nfs/dbraw/zinc/21/73/20/598217320.db2.gz PVPRHDUHBGSHPZ-BZNIZROVSA-N -1 1 288.322 2.763 20 0 CFADMM O=C(OCCCCCF)c1c([O-])cc(F)cc1F ZINC000791796835 629358339 /nfs/dbraw/zinc/35/83/39/629358339.db2.gz MXYNUCBITFSDNI-UHFFFAOYSA-N -1 1 262.227 2.967 20 0 CFADMM Fc1ccc2c(c1)CC[C@@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000737664799 599417152 /nfs/dbraw/zinc/41/71/52/599417152.db2.gz DOZGBRMHKXMNGT-LBPRGKRZSA-N -1 1 296.309 2.500 20 0 CFADMM Fc1ccc2c(c1)CC[C@@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000737664799 599417153 /nfs/dbraw/zinc/41/71/53/599417153.db2.gz DOZGBRMHKXMNGT-LBPRGKRZSA-N -1 1 296.309 2.500 20 0 CFADMM CC(C)(C)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000819913731 599492428 /nfs/dbraw/zinc/49/24/28/599492428.db2.gz DGWMFAIDVQFFQD-UHFFFAOYSA-N -1 1 282.351 2.873 20 0 CFADMM CC(C)(C)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000819913731 599492430 /nfs/dbraw/zinc/49/24/30/599492430.db2.gz DGWMFAIDVQFFQD-UHFFFAOYSA-N -1 1 282.351 2.873 20 0 CFADMM C[C@H](c1cccc(O)c1)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000724888645 600317319 /nfs/dbraw/zinc/31/73/19/600317319.db2.gz PRDLKZUMFMDGRL-SNVBAGLBSA-N -1 1 275.304 2.876 20 0 CFADMM CC[C@H](C)[C@@H](CN(CC(=O)[O-])Cc1ccccc1)OC ZINC000901569627 620865692 /nfs/dbraw/zinc/86/56/92/620865692.db2.gz LPCTXYBLTMTYMH-DZGCQCFKSA-N -1 1 279.380 2.634 20 0 CFADMM CC[C@@H]1C[C@H](C)CN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000829074409 600801543 /nfs/dbraw/zinc/80/15/43/600801543.db2.gz DZSCKSWOEFFMGB-VHSXEESVSA-N -1 1 296.392 2.505 20 0 CFADMM O=C([O-])C[C@@H]1CCCCN1Cc1cccc(Cl)n1 ZINC000833207820 600822897 /nfs/dbraw/zinc/82/28/97/600822897.db2.gz QZJWCIXAHRAZDW-NSHDSACASA-N -1 1 268.744 2.564 20 0 CFADMM C[C@@H]1CN(CC(=O)Nc2ccsc2C(=O)[O-])C(C)(C)C1 ZINC000828441048 601121676 /nfs/dbraw/zinc/12/16/76/601121676.db2.gz ONLIFPNKPPZXNH-VIFPVBQESA-N -1 1 296.392 2.505 20 0 CFADMM CCN(C(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1 ZINC000900153903 620646557 /nfs/dbraw/zinc/64/65/57/620646557.db2.gz ZCOZYXSQMNPUQL-UHFFFAOYSA-N -1 1 283.331 2.726 20 0 CFADMM CCc1nnc(SCc2cc(C(=O)[O-])oc2CC)[nH]1 ZINC000830339041 601395256 /nfs/dbraw/zinc/39/52/56/601395256.db2.gz JRAKEXWLNQGJPD-UHFFFAOYSA-N -1 1 281.337 2.513 20 0 CFADMM CCc1n[nH]c(SCc2cc(C(=O)[O-])oc2CC)n1 ZINC000830339041 601395258 /nfs/dbraw/zinc/39/52/58/601395258.db2.gz JRAKEXWLNQGJPD-UHFFFAOYSA-N -1 1 281.337 2.513 20 0 CFADMM C[C@@H]1CN(Cc2csc(C3CCCC3)n2)C[C@@H]1C(=O)[O-] ZINC000828465325 601514952 /nfs/dbraw/zinc/51/49/52/601514952.db2.gz WZJKNHNWFDEFLF-MFKMUULPSA-N -1 1 294.420 2.953 20 0 CFADMM C[C@H]1CN(Cc2csc(-c3ccoc3)n2)C[C@@H]1C(=O)[O-] ZINC000828462939 601531613 /nfs/dbraw/zinc/53/16/13/601531613.db2.gz NIXUXHNBSKLSHW-CABZTGNLSA-N -1 1 292.360 2.556 20 0 CFADMM O=C([O-])CCC1CCN(Cc2ccnc(Cl)c2)CC1 ZINC000833225353 601840543 /nfs/dbraw/zinc/84/05/43/601840543.db2.gz HMIPQWSHMFXBMA-UHFFFAOYSA-N -1 1 282.771 2.812 20 0 CFADMM Fc1ccc(SCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000095146561 607538432 /nfs/dbraw/zinc/53/84/32/607538432.db2.gz UBIFRILZDFHNSJ-UHFFFAOYSA-N -1 1 287.323 2.693 20 0 CFADMM Fc1ccc(SCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000095146561 607538433 /nfs/dbraw/zinc/53/84/33/607538433.db2.gz UBIFRILZDFHNSJ-UHFFFAOYSA-N -1 1 287.323 2.693 20 0 CFADMM c1csc(SCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000095164658 607543509 /nfs/dbraw/zinc/54/35/09/607543509.db2.gz NGPYKUZLIOLZOB-UHFFFAOYSA-N -1 1 275.362 2.616 20 0 CFADMM c1csc(SCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000095164658 607543511 /nfs/dbraw/zinc/54/35/11/607543511.db2.gz NGPYKUZLIOLZOB-UHFFFAOYSA-N -1 1 275.362 2.616 20 0 CFADMM Fc1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826376056 608168940 /nfs/dbraw/zinc/16/89/40/608168940.db2.gz MWBXIJIALNEYSH-UHFFFAOYSA-N -1 1 297.702 2.908 20 0 CFADMM C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccccc1NC(=O)[O-] ZINC000825871207 603743880 /nfs/dbraw/zinc/74/38/80/603743880.db2.gz COVITOZRYBEERQ-QWRGUYRKSA-N -1 1 291.351 2.588 20 0 CFADMM O=C([O-])N1CCc2cccc(CNCc3ccc(O)cc3)c21 ZINC000832086524 603858254 /nfs/dbraw/zinc/85/82/54/603858254.db2.gz GUHPOFJDSPCWKX-UHFFFAOYSA-N -1 1 298.342 2.723 20 0 CFADMM CCc1noc(C)c1CN1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000827664557 603902636 /nfs/dbraw/zinc/90/26/36/603902636.db2.gz ZSTFHSDVYYUDHH-IINYFYTJSA-N -1 1 295.383 2.556 20 0 CFADMM O=C([O-])NCCN1CCC(=Cc2ccccc2F)CC1 ZINC000832642176 604372158 /nfs/dbraw/zinc/37/21/58/604372158.db2.gz UOZCROIJTSFKDE-UHFFFAOYSA-N -1 1 278.327 2.573 20 0 CFADMM C[C@H](NC[C@@H](NC(=O)[O-])c1ccccc1)c1ccco1 ZINC000825486069 604379446 /nfs/dbraw/zinc/37/94/46/604379446.db2.gz UNBCQYFJIVYADJ-WCQYABFASA-N -1 1 274.320 2.939 20 0 CFADMM CN(CC(=O)[O-])Cc1cc(C(F)(F)F)ccc1Cl ZINC000263416751 604538851 /nfs/dbraw/zinc/53/88/51/604538851.db2.gz NLRYQJGCGPKRTR-UHFFFAOYSA-N -1 1 281.661 2.875 20 0 CFADMM O=C([O-])[C@@H]1CC12CCN(Cc1c(F)cccc1F)CC2 ZINC000405444813 604649164 /nfs/dbraw/zinc/64/91/64/604649164.db2.gz RWTDXSAXVUADQH-NSHDSACASA-N -1 1 281.302 2.652 20 0 CFADMM O=C([O-])c1cc(CN2CCS[C@@H]3CCCC[C@@H]32)c[nH]1 ZINC000833779980 604663846 /nfs/dbraw/zinc/66/38/46/604663846.db2.gz PSOOCLXBXKVBLF-QWHCGFSZSA-N -1 1 280.393 2.573 20 0 CFADMM C[C@H](C(=O)Nc1cc(C(=O)[O-])cs1)N1[C@H](C)CC[C@H]1C ZINC000828214982 604705631 /nfs/dbraw/zinc/70/56/31/604705631.db2.gz XDGORPOFQSNRHQ-OPRDCNLKSA-N -1 1 296.392 2.646 20 0 CFADMM CC(C)c1cnc(CN[C@]2(C)CCCC[C@H]2C(=O)[O-])o1 ZINC000833511305 604818779 /nfs/dbraw/zinc/81/87/79/604818779.db2.gz KXQFQNHNRCBXQZ-XHDPSFHLSA-N -1 1 280.368 2.921 20 0 CFADMM C[C@H]1CC/C(=C\C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)C1 ZINC000833601849 605059059 /nfs/dbraw/zinc/05/90/59/605059059.db2.gz NQFNMXZYIAOIRF-WKMLFNHBSA-N -1 1 299.330 2.946 20 0 CFADMM CCc1ccc(CN(C)Cc2ccc(C(=O)[O-])[nH]2)cc1 ZINC000833669907 605101361 /nfs/dbraw/zinc/10/13/61/605101361.db2.gz HYKOJHJGXAPRNC-UHFFFAOYSA-N -1 1 272.348 2.907 20 0 CFADMM C[C@H]1CC[C@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)C1 ZINC000833606494 605154098 /nfs/dbraw/zinc/15/40/98/605154098.db2.gz QIKHQWSFHJGOPR-IUCAKERBSA-N -1 1 287.319 2.636 20 0 CFADMM CN1Cc2ccc(NCc3ccc(NC(=O)[O-])nc3)cc2C1 ZINC000828520451 605247737 /nfs/dbraw/zinc/24/77/37/605247737.db2.gz GAVJLCUJGWKMBJ-UHFFFAOYSA-N -1 1 298.346 2.729 20 0 CFADMM O=C([O-])N1CCC[C@H]1C1CCN(Cc2ccoc2)CC1 ZINC000834110767 605496468 /nfs/dbraw/zinc/49/64/68/605496468.db2.gz YAPYBXQTWIVRGC-AWEZNQCLSA-N -1 1 278.352 2.634 20 0 CFADMM O=C([O-])N1CCC[C@H]1[C@@H]1CCCCN1Cc1cncs1 ZINC000834107278 605558042 /nfs/dbraw/zinc/55/80/42/605558042.db2.gz LZXKXNXQYZFAPK-STQMWFEESA-N -1 1 295.408 2.640 20 0 CFADMM O=C([O-])NC[C@H]1CCN(Cc2cnc(C3CCC3)s2)C1 ZINC000834226227 605577574 /nfs/dbraw/zinc/57/75/74/605577574.db2.gz UGFRQUSOTVNVNL-SNVBAGLBSA-N -1 1 295.408 2.500 20 0 CFADMM C[C@H](CN(Cc1cc(F)c(F)cc1F)C1CC1)C(=O)[O-] ZINC000833516535 605750492 /nfs/dbraw/zinc/75/04/92/605750492.db2.gz ODLRPOVDYUGBSS-MRVPVSSYSA-N -1 1 287.281 2.789 20 0 CFADMM C[C@H](O)C1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000833527737 605835254 /nfs/dbraw/zinc/83/52/54/605835254.db2.gz LPKZYIWYVAXCOB-JTQLQIEISA-N -1 1 297.782 2.631 20 0 CFADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](OC(F)F)C1 ZINC000833547126 605855942 /nfs/dbraw/zinc/85/59/42/605855942.db2.gz QBRINUFTTUNBKF-RKDXNWHRSA-N -1 1 289.278 2.742 20 0 CFADMM O=C([O-])N[C@@H]1CCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000834182892 605872889 /nfs/dbraw/zinc/87/28/89/605872889.db2.gz LEIXVYWAAGBRDX-NOZJJQNGSA-N -1 1 280.755 2.669 20 0 CFADMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1Cc1ccc(Cl)s1 ZINC000833834309 605897654 /nfs/dbraw/zinc/89/76/54/605897654.db2.gz NBUDNFOSCMLNNU-IUCAKERBSA-N -1 1 288.800 2.880 20 0 CFADMM CCOc1ccc(NCc2ccc(-c3nnn[n-]3)o2)c(C)c1 ZINC000821421703 606132786 /nfs/dbraw/zinc/13/27/86/606132786.db2.gz DATQXFKTZGHFLU-UHFFFAOYSA-N -1 1 299.334 2.779 20 0 CFADMM CCOc1ccc(NCc2ccc(-c3nn[n-]n3)o2)c(C)c1 ZINC000821421703 606132788 /nfs/dbraw/zinc/13/27/88/606132788.db2.gz DATQXFKTZGHFLU-UHFFFAOYSA-N -1 1 299.334 2.779 20 0 CFADMM O=C(OCC1CCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823397684 606134728 /nfs/dbraw/zinc/13/47/28/606134728.db2.gz ZATBBOBVEXSGAU-UHFFFAOYSA-N -1 1 292.364 2.665 20 0 CFADMM O=C(OCC1CCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823397684 606134730 /nfs/dbraw/zinc/13/47/30/606134730.db2.gz ZATBBOBVEXSGAU-UHFFFAOYSA-N -1 1 292.364 2.665 20 0 CFADMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)[C@@H]1C ZINC000820728140 606424348 /nfs/dbraw/zinc/42/43/48/606424348.db2.gz UDQCEWITVFKJII-GHMZBOCLSA-N -1 1 294.362 2.650 20 0 CFADMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)[C@@H]1C ZINC000820728140 606424349 /nfs/dbraw/zinc/42/43/49/606424349.db2.gz UDQCEWITVFKJII-GHMZBOCLSA-N -1 1 294.362 2.650 20 0 CFADMM Cc1ccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000822259254 606438844 /nfs/dbraw/zinc/43/88/44/606438844.db2.gz RCBDEVHYONFRMI-UHFFFAOYSA-N -1 1 286.726 2.967 20 0 CFADMM Cc1ccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000822259254 606438845 /nfs/dbraw/zinc/43/88/45/606438845.db2.gz RCBDEVHYONFRMI-UHFFFAOYSA-N -1 1 286.726 2.967 20 0 CFADMM Fc1ccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000822782865 606439558 /nfs/dbraw/zinc/43/95/58/606439558.db2.gz JWYIUQQSMAVEBN-UHFFFAOYSA-N -1 1 290.689 2.798 20 0 CFADMM Fc1ccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000822782865 606439560 /nfs/dbraw/zinc/43/95/60/606439560.db2.gz JWYIUQQSMAVEBN-UHFFFAOYSA-N -1 1 290.689 2.798 20 0 CFADMM CC[C@H](C)[C@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820859362 606460045 /nfs/dbraw/zinc/46/00/45/606460045.db2.gz DLQWIQPDTTZAFT-YUMQZZPRSA-N -1 1 280.763 2.762 20 0 CFADMM CC[C@H](C)[C@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820859362 606460046 /nfs/dbraw/zinc/46/00/46/606460046.db2.gz DLQWIQPDTTZAFT-YUMQZZPRSA-N -1 1 280.763 2.762 20 0 CFADMM CCCCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821049708 606486752 /nfs/dbraw/zinc/48/67/52/606486752.db2.gz NATWYQMJGQSOFL-VIFPVBQESA-N -1 1 293.396 2.627 20 0 CFADMM CCCCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821049708 606486753 /nfs/dbraw/zinc/48/67/53/606486753.db2.gz NATWYQMJGQSOFL-VIFPVBQESA-N -1 1 293.396 2.627 20 0 CFADMM CN(c1cccc(-c2nnn[n-]2)n1)C1CCC(C)(C)CC1 ZINC000821618989 606729067 /nfs/dbraw/zinc/72/90/67/606729067.db2.gz DTCKIROCXVTCQT-UHFFFAOYSA-N -1 1 286.383 2.667 20 0 CFADMM CN(c1cccc(-c2nn[n-]n2)n1)C1CCC(C)(C)CC1 ZINC000821618989 606729069 /nfs/dbraw/zinc/72/90/69/606729069.db2.gz DTCKIROCXVTCQT-UHFFFAOYSA-N -1 1 286.383 2.667 20 0 CFADMM CC[C@H]1CCC[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820979137 606807616 /nfs/dbraw/zinc/80/76/16/606807616.db2.gz FOTLLJFNQGDBFV-WPRPVWTQSA-N -1 1 292.774 2.906 20 0 CFADMM CC[C@H]1CCC[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820979137 606807618 /nfs/dbraw/zinc/80/76/18/606807618.db2.gz FOTLLJFNQGDBFV-WPRPVWTQSA-N -1 1 292.774 2.906 20 0 CFADMM CC(C)CC[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000820072728 607128332 /nfs/dbraw/zinc/12/83/32/607128332.db2.gz LVMVLANERCTECF-GFCCVEGCSA-N -1 1 286.383 2.667 20 0 CFADMM CC(C)CC[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000820072728 607128334 /nfs/dbraw/zinc/12/83/34/607128334.db2.gz LVMVLANERCTECF-GFCCVEGCSA-N -1 1 286.383 2.667 20 0 CFADMM CC(C)(C)OCCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000824119023 607864124 /nfs/dbraw/zinc/86/41/24/607864124.db2.gz AFUCRZUHCYWZTK-UHFFFAOYSA-N -1 1 294.330 2.590 20 0 CFADMM CC(C)(C)OCCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000824119023 607864125 /nfs/dbraw/zinc/86/41/25/607864125.db2.gz AFUCRZUHCYWZTK-UHFFFAOYSA-N -1 1 294.330 2.590 20 0 CFADMM c1ccc(CCCSc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826521335 607899446 /nfs/dbraw/zinc/89/94/46/607899446.db2.gz IPCWWARHSMIAEB-UHFFFAOYSA-N -1 1 297.387 2.987 20 0 CFADMM c1ccc(CCCSc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826521335 607899447 /nfs/dbraw/zinc/89/94/47/607899447.db2.gz IPCWWARHSMIAEB-UHFFFAOYSA-N -1 1 297.387 2.987 20 0 CFADMM CCN(c1snc(Cl)c1-c1nn[n-]n1)C1CCCC1 ZINC000825443967 608177436 /nfs/dbraw/zinc/17/74/36/608177436.db2.gz HOVCLOZBLDTZLX-UHFFFAOYSA-N -1 1 298.803 2.746 20 0 CFADMM CCN(c1snc(Cl)c1-c1nnn[n-]1)C1CCCC1 ZINC000825443967 608177435 /nfs/dbraw/zinc/17/74/35/608177435.db2.gz HOVCLOZBLDTZLX-UHFFFAOYSA-N -1 1 298.803 2.746 20 0 CFADMM Cc1ccc(-c2nn[n-]n2)nc1NCCCc1ccccc1 ZINC000826280731 608541335 /nfs/dbraw/zinc/54/13/35/608541335.db2.gz NPNMGEMOQIRHPH-UHFFFAOYSA-N -1 1 294.362 2.615 20 0 CFADMM CCC(F)(F)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910989718 622495706 /nfs/dbraw/zinc/49/57/06/622495706.db2.gz AUWQEIGTYNTRQV-UHFFFAOYSA-N -1 1 251.179 2.654 20 0 CFADMM Cc1ccc2ccccc2c1Cn1ccnc1-c1nnn[n-]1 ZINC000826295170 608890328 /nfs/dbraw/zinc/89/03/28/608890328.db2.gz UOZAFTIDDOZMHI-UHFFFAOYSA-N -1 1 290.330 2.573 20 0 CFADMM Cc1ccc2ccccc2c1Cn1ccnc1-c1nn[n-]n1 ZINC000826295170 608890330 /nfs/dbraw/zinc/89/03/30/608890330.db2.gz UOZAFTIDDOZMHI-UHFFFAOYSA-N -1 1 290.330 2.573 20 0 CFADMM O=C([N-]c1nc2ccsc2s1)c1nnc(C2CC2)o1 ZINC000900749521 620709882 /nfs/dbraw/zinc/70/98/82/620709882.db2.gz ZWNJLFLXURNSFP-UHFFFAOYSA-N -1 1 292.345 2.871 20 0 CFADMM C[C@@H]1C[C@H](C)N(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000900795827 620715548 /nfs/dbraw/zinc/71/55/48/620715548.db2.gz HSOADXWSZRKSDT-ZJUUUORDSA-N -1 1 288.322 2.950 20 0 CFADMM CCC[C@@H](NC(=O)C1CCCCCCC1)c1nn[n-]n1 ZINC000176741006 618094538 /nfs/dbraw/zinc/09/45/38/618094538.db2.gz MNEHKBWBNLLCQT-GFCCVEGCSA-N -1 1 279.388 2.518 20 0 CFADMM CC[C@H](CNc1ccnc2cc(F)ccc21)C(=O)[O-] ZINC000900974611 620735258 /nfs/dbraw/zinc/73/52/58/620735258.db2.gz NOOFLLKIHIDXFI-SECBINFHSA-N -1 1 262.284 2.897 20 0 CFADMM O=C([O-])c1cnc(N[C@@H]2CCCc3cn[nH]c32)c(Cl)c1 ZINC000900988271 620739689 /nfs/dbraw/zinc/73/96/89/620739689.db2.gz JMXXZKXNVLITJF-SNVBAGLBSA-N -1 1 292.726 2.646 20 0 CFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@H]1c1ccccc1 ZINC000066315903 617682750 /nfs/dbraw/zinc/68/27/50/617682750.db2.gz ANYPWOHMTNUFHZ-DTWKUNHWSA-N -1 1 296.252 2.566 20 0 CFADMM C[C@@]1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CC=CCC1 ZINC000891613065 617686406 /nfs/dbraw/zinc/68/64/06/617686406.db2.gz DTAGGZCIZMXRLI-MRXNPFEDSA-N -1 1 287.363 2.746 20 0 CFADMM O=C(CCCC1CC1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891616184 617686594 /nfs/dbraw/zinc/68/65/94/617686594.db2.gz ZFOMGDNOWHZETB-UHFFFAOYSA-N -1 1 275.352 2.580 20 0 CFADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@H]1CC12CCCC2 ZINC000891621067 617688509 /nfs/dbraw/zinc/68/85/09/617688509.db2.gz DZZDRBUSRSTQHC-LLVKDONJSA-N -1 1 287.363 2.580 20 0 CFADMM COCc1nc(N(Cc2cccs2)C2CC2)cc(=O)[n-]1 ZINC000891713817 617723324 /nfs/dbraw/zinc/72/33/24/617723324.db2.gz GMLFKVRHMBFCAG-UHFFFAOYSA-N -1 1 291.376 2.559 20 0 CFADMM COCc1nc(N[C@@H]2CCc3cc(C)ccc32)cc(=O)[n-]1 ZINC000891977240 617897974 /nfs/dbraw/zinc/89/79/74/617897974.db2.gz UASDJZZLXFEQPC-CYBMUJFWSA-N -1 1 285.347 2.736 20 0 CFADMM CC(C)(C)c1ncsc1C(=O)[N-]c1nc(C2CC2)no1 ZINC000891290668 618104436 /nfs/dbraw/zinc/10/44/36/618104436.db2.gz VGGIMBNJSBLJNJ-UHFFFAOYSA-N -1 1 292.364 2.953 20 0 CFADMM CSCCCCCCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188789881 618313528 /nfs/dbraw/zinc/31/35/28/618313528.db2.gz SCPJINKFQSWWBI-UHFFFAOYSA-N -1 1 292.404 2.917 20 0 CFADMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccsc1 ZINC000235523470 618362445 /nfs/dbraw/zinc/36/24/45/618362445.db2.gz GSRSGILMZLZNOC-YFKPBYRVSA-N -1 1 255.236 2.826 20 0 CFADMM C[C@H](NCc1ccc(CC(=O)[O-])cc1)c1ccccn1 ZINC000235528471 618365659 /nfs/dbraw/zinc/36/56/59/618365659.db2.gz QKGIYJGKQFLHNL-LBPRGKRZSA-N -1 1 270.332 2.560 20 0 CFADMM C[C@@H]1CC(C)(C)c2cccc(NC(=O)CCc3nn[n-]n3)c21 ZINC000928586401 618487866 /nfs/dbraw/zinc/48/78/66/618487866.db2.gz NCOYHAWQSUKGOZ-SNVBAGLBSA-N -1 1 299.378 2.556 20 0 CFADMM N#Cc1ccc(C(=O)NNc2cccc(Cl)c2)cc1[O-] ZINC000188253391 618622783 /nfs/dbraw/zinc/62/27/83/618622783.db2.gz AQDTXDOAFMEJPH-UHFFFAOYSA-N -1 1 287.706 2.674 20 0 CFADMM CCn1c(CNC(=O)CCCC(C)(C)C)n[n-]c1=S ZINC000066635984 618631431 /nfs/dbraw/zinc/63/14/31/618631431.db2.gz HSIQAVDVJBYBFU-UHFFFAOYSA-N -1 1 284.429 2.793 20 0 CFADMM CC[C@H](CC(=O)NCc1n[n-]c(=S)n1C1CC1)C(C)C ZINC000066638224 618633695 /nfs/dbraw/zinc/63/36/95/618633695.db2.gz UZRFSIOOSCZNMU-SNVBAGLBSA-N -1 1 296.440 2.964 20 0 CFADMM CC(C)C[C@H](C)CC(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066638399 618633754 /nfs/dbraw/zinc/63/37/54/618633754.db2.gz BMZUBWXSYDNWHY-JTQLQIEISA-N -1 1 296.440 2.964 20 0 CFADMM COCc1nc(N[C@@H](C)CCc2ccc(C)o2)cc(=O)[n-]1 ZINC000892694901 618715091 /nfs/dbraw/zinc/71/50/91/618715091.db2.gz NFOFTZSBSCZVIR-JTQLQIEISA-N -1 1 291.351 2.663 20 0 CFADMM Cc1cccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)c1 ZINC000180252788 618859812 /nfs/dbraw/zinc/85/98/12/618859812.db2.gz CZNSJIASPNRUGF-UHFFFAOYSA-N -1 1 282.752 2.844 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(F)cc(F)c1 ZINC000188344922 619105139 /nfs/dbraw/zinc/10/51/39/619105139.db2.gz LQEXZKYXUMOCSR-UHFFFAOYSA-N -1 1 284.649 2.971 20 0 CFADMM Nc1ccc(-c2nc(CCC(F)(F)F)no2)c([O-])c1 ZINC000094492061 619126849 /nfs/dbraw/zinc/12/68/49/619126849.db2.gz XCRFGIZEJJUZSA-UHFFFAOYSA-N -1 1 273.214 2.519 20 0 CFADMM COCc1nc(N2C[C@H](C)C[C@H]2c2ccccc2)cc(=O)[n-]1 ZINC000893844723 619228067 /nfs/dbraw/zinc/22/80/67/619228067.db2.gz IRXKIVXIQHHIQN-OCCSQVGLSA-N -1 1 299.374 2.916 20 0 CFADMM Cc1nc(C)c(CC(=O)[N-]OCc2ccccc2)s1 ZINC000895544462 619552109 /nfs/dbraw/zinc/55/21/09/619552109.db2.gz JNBDWIQJMAADJA-UHFFFAOYSA-N -1 1 276.361 2.550 20 0 CFADMM CC(C)(C)OC[C@@H]1CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000895660297 619578186 /nfs/dbraw/zinc/57/81/86/619578186.db2.gz ALBBSJVUHNDBGL-VIFPVBQESA-N -1 1 285.775 2.620 20 0 CFADMM O=c1nc(N2CCC(F)(C3CC3)CC2)cc(Cl)[n-]1 ZINC000896237764 619702068 /nfs/dbraw/zinc/70/20/68/619702068.db2.gz SNCPVBOUDXOBCT-UHFFFAOYSA-N -1 1 271.723 2.554 20 0 CFADMM CCc1ccccc1OC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000796730614 619929984 /nfs/dbraw/zinc/92/99/84/619929984.db2.gz DUYICIIYIRJGPK-UHFFFAOYSA-N -1 1 273.288 2.583 20 0 CFADMM COC(=O)c1ccc(C(=O)Oc2cccc(C)c2Cl)[n-]1 ZINC000797178716 619971700 /nfs/dbraw/zinc/97/17/00/619971700.db2.gz YKTZJCYGWRZCCV-UHFFFAOYSA-N -1 1 293.706 2.982 20 0 CFADMM CCn1cnc2c1CCN(Cc1cccc([O-])c1Cl)C2 ZINC000897333231 619998286 /nfs/dbraw/zinc/99/82/86/619998286.db2.gz DMELIUGRYZNYEW-UHFFFAOYSA-N -1 1 291.782 2.820 20 0 CFADMM CCc1[n-]n(Cc2ccccc2Cl)c(=O)c1F ZINC000871949234 620074834 /nfs/dbraw/zinc/07/48/34/620074834.db2.gz SOSNQVSGMQJFNI-NSHDSACASA-N -1 1 254.692 2.786 20 0 CFADMM CCCCOC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000925266779 620112221 /nfs/dbraw/zinc/11/22/21/620112221.db2.gz GHUPWPCGLISZOR-UHFFFAOYSA-N -1 1 260.293 2.535 20 0 CFADMM C[C@@]1(F)CCCN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000263392725 620138416 /nfs/dbraw/zinc/13/84/16/620138416.db2.gz FQKTUFVNOTXHLT-CQSZACIVSA-N -1 1 251.301 2.709 20 0 CFADMM O=C([O-])c1cccc(CN2CCOCC23CCCCC3)c1 ZINC000263437508 620144255 /nfs/dbraw/zinc/14/42/55/620144255.db2.gz VDMZFIIVJVRBBE-UHFFFAOYSA-N -1 1 289.375 2.920 20 0 CFADMM C[C@H](CN1CC(C(=O)[O-])C1)c1cccc(Br)c1 ZINC000263474197 620147924 /nfs/dbraw/zinc/14/79/24/620147924.db2.gz FCEPWXLDHZGVQO-SECBINFHSA-N -1 1 298.180 2.569 20 0 CFADMM C/C(=C\C(=O)NCc1n[n-]c(=S)n1C1CC1)C(C)(C)C ZINC000080061585 620227692 /nfs/dbraw/zinc/22/76/92/620227692.db2.gz DWNDFLJFGDVIJF-VQHVLOKHSA-N -1 1 294.424 2.884 20 0 CFADMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc2ccc(O)cc2c1[O-] ZINC000897594966 620254231 /nfs/dbraw/zinc/25/42/31/620254231.db2.gz WZTKVVZZVFRMAN-JYAVWHMHSA-N -1 1 283.327 2.779 20 0 CFADMM C[C@@H]1C[C@H](C)N1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897612501 620259069 /nfs/dbraw/zinc/25/90/69/620259069.db2.gz ADMTVPCUPJXVCU-AOOOYVTPSA-N -1 1 271.316 2.874 20 0 CFADMM CCn1c(CCNC(=O)/C=C(/C)C(C)(C)C)n[n-]c1=S ZINC000080173558 620274539 /nfs/dbraw/zinc/27/45/39/620274539.db2.gz WOMCSCOGSYNHBK-KTKRTIGZSA-N -1 1 296.440 2.612 20 0 CFADMM Cc1cn(C(C)(C)C(=O)Nc2ccc([O-])c(F)c2F)cn1 ZINC000897931575 620302065 /nfs/dbraw/zinc/30/20/65/620302065.db2.gz WDSVOJPTZIKVFA-UHFFFAOYSA-N -1 1 295.289 2.549 20 0 CFADMM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc2ccc(O)cc2c1[O-] ZINC000898018797 620323607 /nfs/dbraw/zinc/32/36/07/620323607.db2.gz FUXCLYRMKMBXDS-ZSBIGDGJSA-N -1 1 283.327 2.779 20 0 CFADMM Cc1cccc(CO[N-]C(=O)[C@H](C)c2ccsc2)n1 ZINC000898936293 620508418 /nfs/dbraw/zinc/50/84/18/620508418.db2.gz VISWHXIZASALOD-LLVKDONJSA-N -1 1 276.361 2.803 20 0 CFADMM O=c1cc(CC2CC2)[n-]n1-c1cc(F)c(F)c(F)c1 ZINC000899352753 620548072 /nfs/dbraw/zinc/54/80/72/620548072.db2.gz OJDYDRJFGCPBQF-UHFFFAOYSA-N -1 1 268.238 2.997 20 0 CFADMM Cc1c(-c2ccccc2)[n-]n([C@@H]2C[C@@H](C)O[C@@H](C)C2)c1=O ZINC000899359360 620551984 /nfs/dbraw/zinc/55/19/84/620551984.db2.gz ACFAABSKMRDFDH-XFMPKHEZSA-N -1 1 286.375 2.825 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3cc(F)ccc3F)c(=O)c21 ZINC000899362413 620553187 /nfs/dbraw/zinc/55/31/87/620553187.db2.gz SPELBHRRFYINAL-JMCQJSRRSA-N -1 1 250.248 2.714 20 0 CFADMM Cc1cccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1C ZINC000899910662 620612245 /nfs/dbraw/zinc/61/22/45/620612245.db2.gz HXLVIMHVCJAAPV-UHFFFAOYSA-N -1 1 283.331 2.929 20 0 CFADMM Cc1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c(C)c1 ZINC000899910631 620612424 /nfs/dbraw/zinc/61/24/24/620612424.db2.gz KKNLMWQZAWVKRP-UHFFFAOYSA-N -1 1 283.331 2.929 20 0 CFADMM Cc1cc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)cs1 ZINC000900071937 620631529 /nfs/dbraw/zinc/63/15/29/620631529.db2.gz VBMCQTBMBASCIF-LLVKDONJSA-N -1 1 291.376 2.576 20 0 CFADMM Cc1ccsc1CNCc1nc(C(=O)[O-])c(C)s1 ZINC000900063996 620633644 /nfs/dbraw/zinc/63/36/44/620633644.db2.gz FOSLALZIWDHVAN-UHFFFAOYSA-N -1 1 282.390 2.809 20 0 CFADMM Cc1sc(CNCc2ccccc2C)nc1C(=O)[O-] ZINC000900064705 620633796 /nfs/dbraw/zinc/63/37/96/620633796.db2.gz RBGTVQGTJXDKFG-UHFFFAOYSA-N -1 1 276.361 2.748 20 0 CFADMM CCc1ncc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cn1 ZINC000901529099 620846839 /nfs/dbraw/zinc/84/68/39/620846839.db2.gz DOIIFAAPPHXJMR-INIZCTEOSA-N -1 1 299.374 2.571 20 0 CFADMM C[C@@H](O)CCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901616554 620874019 /nfs/dbraw/zinc/87/40/19/620874019.db2.gz OSPICRDUDOKKDP-SNVBAGLBSA-N -1 1 276.361 2.712 20 0 CFADMM Cc1nc(CN[C@@H](CCC(=O)[O-])c2ccccc2)[nH]c1C ZINC000901647474 620880527 /nfs/dbraw/zinc/88/05/27/620880527.db2.gz LRFZJYXNYAFIRT-AWEZNQCLSA-N -1 1 287.363 2.722 20 0 CFADMM CC(C)c1cnc(CN2CCC[C@@](C)(C(=O)[O-])C2)s1 ZINC000901700870 620898583 /nfs/dbraw/zinc/89/85/83/620898583.db2.gz MVXQQJZVKYDBTN-CQSZACIVSA-N -1 1 282.409 2.953 20 0 CFADMM CCCCC[C@@H](NCc1ccc(CC)o1)C(=O)[O-] ZINC000901724591 620901095 /nfs/dbraw/zinc/90/10/95/620901095.db2.gz BQNQNNMVSTXDNJ-CYBMUJFWSA-N -1 1 253.342 2.965 20 0 CFADMM Cc1ccc(CN2CCc3cccc(C(=O)[O-])c3C2)o1 ZINC000901779419 620913460 /nfs/dbraw/zinc/91/34/60/620913460.db2.gz UNHPXBFGWPFSAT-UHFFFAOYSA-N -1 1 271.316 2.845 20 0 CFADMM CC(C)(C)C[C@H](NCc1cc2cccnc2o1)C(=O)[O-] ZINC000901806616 620920829 /nfs/dbraw/zinc/92/08/29/620920829.db2.gz SXNIGTYLWCMCQB-LBPRGKRZSA-N -1 1 276.336 2.807 20 0 CFADMM O=S(=O)([N-]c1ccccc1F)c1cnn(C2CCC2)c1 ZINC000901814304 620923041 /nfs/dbraw/zinc/92/30/41/620923041.db2.gz IQNVXLIBWRQJPD-UHFFFAOYSA-N -1 1 295.339 2.548 20 0 CFADMM Cc1cn[nH]c1CNc1cccc([C@H](C)C(=O)[O-])c1 ZINC000901818207 620926904 /nfs/dbraw/zinc/92/69/04/620926904.db2.gz VMOXMIHPJLNGPM-JTQLQIEISA-N -1 1 259.309 2.518 20 0 CFADMM O=C([O-])[C@H]1CSCCN(Cc2ccc(Cl)s2)C1 ZINC000901889742 620931245 /nfs/dbraw/zinc/93/12/45/620931245.db2.gz DASFWLMAGMUHFB-MRVPVSSYSA-N -1 1 291.825 2.651 20 0 CFADMM CCCc1ccc(CN(CC(=O)[O-])C2CC2)s1 ZINC000901971671 620948107 /nfs/dbraw/zinc/94/81/07/620948107.db2.gz OJXJGZMPJMKTHV-UHFFFAOYSA-N -1 1 253.367 2.750 20 0 CFADMM CC(C)c1cnc(CN(C[C@@H](C)C(=O)[O-])C2CC2)s1 ZINC000901992895 620950491 /nfs/dbraw/zinc/95/04/91/620950491.db2.gz OCKUDWMNRSVERY-SNVBAGLBSA-N -1 1 282.409 2.952 20 0 CFADMM C[C@H]1CCN(Cc2cc3cnccc3o2)[C@H](C(=O)[O-])C1 ZINC000902011143 620957575 /nfs/dbraw/zinc/95/75/75/620957575.db2.gz GINKKPDIRRDHPU-GWCFXTLKSA-N -1 1 274.320 2.513 20 0 CFADMM C[C@@H]1CCN(Cc2cc3ccncc3s2)[C@H](C(=O)[O-])C1 ZINC000902019342 620960223 /nfs/dbraw/zinc/96/02/23/620960223.db2.gz WRVWJJAAYRRHLR-MFKMUULPSA-N -1 1 290.388 2.981 20 0 CFADMM CCCc1ccc(CN2CC[C@H](OC)C[C@@H]2C(=O)[O-])s1 ZINC000902032527 620967023 /nfs/dbraw/zinc/96/70/23/620967023.db2.gz MOEYBNOSYHUKLB-SMDDNHRTSA-N -1 1 297.420 2.765 20 0 CFADMM CC(C)[C@H](NCc1cc(C(=O)[O-])no1)c1ccccc1 ZINC000902081914 620970428 /nfs/dbraw/zinc/97/04/28/620970428.db2.gz PEBGEQLFQMVYSS-AWEZNQCLSA-N -1 1 274.320 2.860 20 0 CFADMM CCc1oc(CNCc2cccs2)cc1C(=O)[O-] ZINC000902063786 620972308 /nfs/dbraw/zinc/97/23/08/620972308.db2.gz ZOLSRGSGJCDWIC-UHFFFAOYSA-N -1 1 265.334 2.892 20 0 CFADMM O=C([O-])c1ccc(CN[C@@H]2CCCOc3ccccc32)o1 ZINC000902201443 620997193 /nfs/dbraw/zinc/99/71/93/620997193.db2.gz MTLDLGGCPFBGBX-CYBMUJFWSA-N -1 1 287.315 2.981 20 0 CFADMM COc1cc(F)cc(CNCc2cc(C(=O)[O-])oc2C)c1 ZINC000902260093 621008442 /nfs/dbraw/zinc/00/84/42/621008442.db2.gz OOCXKGFOINJJDF-UHFFFAOYSA-N -1 1 293.294 2.724 20 0 CFADMM CC[C@@H]1CN(Cc2ccc(/C=C/C(=O)[O-])o2)CCS1 ZINC000902281782 621013872 /nfs/dbraw/zinc/01/38/72/621013872.db2.gz LMUSGRYYRNHWSO-URWSZGRFSA-N -1 1 281.377 2.705 20 0 CFADMM COc1cccc(CNCc2cc(C)c(C(=O)[O-])o2)c1C ZINC000902298527 621025796 /nfs/dbraw/zinc/02/57/96/621025796.db2.gz SDBTYTJASRFZLO-UHFFFAOYSA-N -1 1 289.331 2.893 20 0 CFADMM CC(C)CO[C@@H]1CCN(Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000902405081 621070476 /nfs/dbraw/zinc/07/04/76/621070476.db2.gz KNSHIUBTFMRSMP-VBROQKIQSA-N -1 1 293.363 2.624 20 0 CFADMM C[C@H]1CN(CCC(C)(C)C(=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000902482665 621109654 /nfs/dbraw/zinc/10/96/54/621109654.db2.gz AZYBYWVVSCUFPP-UWVGGRQHSA-N -1 1 297.317 2.529 20 0 CFADMM CC[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2OC)CCS1 ZINC000903598647 621398382 /nfs/dbraw/zinc/39/83/82/621398382.db2.gz WSDSDDJJQMJNQC-CYBMUJFWSA-N -1 1 295.404 2.721 20 0 CFADMM COc1ccc(C(=O)[O-])cc1CN1CCS[C@H](C)[C@@H]1C ZINC000903594379 621403559 /nfs/dbraw/zinc/40/35/59/621403559.db2.gz GCKMPGWRBQYAPR-WDEREUQCSA-N -1 1 295.404 2.719 20 0 CFADMM C[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)[C@@H]1CCCO1 ZINC000903669771 621413951 /nfs/dbraw/zinc/41/39/51/621413951.db2.gz JZSUICWPZZLMRC-UFBFGSQYSA-N -1 1 278.283 2.864 20 0 CFADMM Cc1cc(C)nc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC000903706729 621423294 /nfs/dbraw/zinc/42/32/94/621423294.db2.gz LNPCEHYMSPDLIC-KRWDZBQOSA-N -1 1 296.370 2.882 20 0 CFADMM CN(Cc1occ(C(F)(F)F)c1C(=O)[O-])C1CC1 ZINC000903887638 621459697 /nfs/dbraw/zinc/45/96/97/621459697.db2.gz YLUKNLZWAAKCIJ-UHFFFAOYSA-N -1 1 263.215 2.591 20 0 CFADMM C[C@@H]1c2ccccc2CCN1Cc1cncc(C(=O)[O-])c1 ZINC000903897096 621466827 /nfs/dbraw/zinc/46/68/27/621466827.db2.gz FXGDOSNGGHBYBA-GFCCVEGCSA-N -1 1 282.343 2.899 20 0 CFADMM CC(C)(C)c1nc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])co1 ZINC000903901094 621467689 /nfs/dbraw/zinc/46/76/89/621467689.db2.gz AELXJLIUUSGAFF-CYZMBNFOSA-N -1 1 292.379 2.657 20 0 CFADMM CCC[C@H](C)C[C@H](NCc1cc(C)co1)C(=O)[O-] ZINC000904005133 621505144 /nfs/dbraw/zinc/50/51/44/621505144.db2.gz PETNVUVMYUQXOF-GWCFXTLKSA-N -1 1 253.342 2.957 20 0 CFADMM CC[C@@H](NCc1cccc2cc[nH]c21)c1nc(C(=O)[O-])c[nH]1 ZINC000904065505 621514832 /nfs/dbraw/zinc/51/48/32/621514832.db2.gz SPOFJDPDSMBVSG-GFCCVEGCSA-N -1 1 298.346 2.830 20 0 CFADMM CN[C@@H](CC(C)C)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000904077888 621517844 /nfs/dbraw/zinc/51/78/44/621517844.db2.gz KCPGGGVHWYJHIH-LBPRGKRZSA-N -1 1 289.335 2.741 20 0 CFADMM COc1cnc(C=Cc2cnc(C(C)C)s2)[n-]c1=O ZINC000905077588 621689842 /nfs/dbraw/zinc/68/98/42/621689842.db2.gz YNNRTHZLDBAKKT-SNAWJCMRSA-N -1 1 277.349 2.941 20 0 CFADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2nccn2C2CC2)C1 ZINC000905713947 621826408 /nfs/dbraw/zinc/82/64/08/621826408.db2.gz MMVHLUDSKNBHQQ-LBPRGKRZSA-N -1 1 291.395 2.541 20 0 CFADMM CC(C)(C)c1coc(CNCCC(C)(C)C(=O)[O-])n1 ZINC000905788381 621872363 /nfs/dbraw/zinc/87/23/63/621872363.db2.gz BHIASRBEWCNZPG-UHFFFAOYSA-N -1 1 268.357 2.563 20 0 CFADMM CCSc1ccccc1CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000906479270 621993769 /nfs/dbraw/zinc/99/37/69/621993769.db2.gz MLJCSDFEQJZMGX-OAHLLOKOSA-N -1 1 295.404 2.916 20 0 CFADMM O=C([N-]O[C@H]1CCCCO1)C1(C2CCCCC2)CC1 ZINC000906478821 621993821 /nfs/dbraw/zinc/99/38/21/621993821.db2.gz LINLGPDPJDMGPQ-ZDUSSCGKSA-N -1 1 267.369 2.921 20 0 CFADMM Cc1ccc(OCCCN2CC[C@@](F)(C(=O)[O-])C2)cc1C ZINC000832952509 625541122 /nfs/dbraw/zinc/54/11/22/625541122.db2.gz PEKNXGGORFHGGC-INIZCTEOSA-N -1 1 295.354 2.571 20 0 CFADMM CCn1nc(C2CC2)cc1C(=O)Nc1c([O-])cccc1F ZINC000907139624 622090701 /nfs/dbraw/zinc/09/07/01/622090701.db2.gz KMMJQEQFYLKAPT-UHFFFAOYSA-N -1 1 289.310 2.877 20 0 CFADMM CCc1nc(C)c(NC(=O)c2c([O-])cccc2OC)s1 ZINC000907516644 622134718 /nfs/dbraw/zinc/13/47/18/622134718.db2.gz GZWYONGMLOHTMJ-UHFFFAOYSA-N -1 1 292.360 2.980 20 0 CFADMM O=S(=O)([N-][C@@H]1C[C@H]2CCC[C@@H]21)c1cc2ccccc2o1 ZINC000907967772 622179619 /nfs/dbraw/zinc/17/96/19/622179619.db2.gz HFLXNZYJYSEODX-KGYLQXTDSA-N -1 1 291.372 2.900 20 0 CFADMM O=C(NOCCC1CC1)c1c([O-])cnc2c(F)cccc21 ZINC000908384352 622224219 /nfs/dbraw/zinc/22/42/19/622224219.db2.gz QHVWPQTVMAEPFD-UHFFFAOYSA-N -1 1 290.294 2.541 20 0 CFADMM O=C(Nc1cccc(C2CC2)n1)c1cnc(C2CC2)[n-]c1=O ZINC000908403226 622227622 /nfs/dbraw/zinc/22/76/22/622227622.db2.gz MWJIPVBOVWWJIW-UHFFFAOYSA-N -1 1 296.330 2.584 20 0 CFADMM C[C@@H]1CN(C(=O)c2c([O-])cnc3c(F)cccc32)[C@H]1C ZINC000908437228 622230633 /nfs/dbraw/zinc/23/06/33/622230633.db2.gz ZRLGVHVICGDELR-BDAKNGLRSA-N -1 1 274.295 2.560 20 0 CFADMM CC[C@@H](OC)C(=O)Nc1cccc([O-])c1Br ZINC000908714491 622267523 /nfs/dbraw/zinc/26/75/23/622267523.db2.gz BMXUXPBHUMIXQV-SECBINFHSA-N -1 1 288.141 2.518 20 0 CFADMM CSCCC(=O)Nc1cccc([O-])c1Br ZINC000908714718 622268050 /nfs/dbraw/zinc/26/80/50/622268050.db2.gz KUHAGJHXZQCCLA-UHFFFAOYSA-N -1 1 290.182 2.846 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)C1(CCF)CC1 ZINC000909986732 622380699 /nfs/dbraw/zinc/38/06/99/622380699.db2.gz AIMDPGVZAPLTBA-UHFFFAOYSA-N -1 1 259.227 2.749 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)C1CC(F)(F)C1 ZINC000909983557 622381218 /nfs/dbraw/zinc/38/12/18/622381218.db2.gz YJPYITFDLLOFSU-UHFFFAOYSA-N -1 1 263.190 2.654 20 0 CFADMM C[C@H]1C[C@H](C(=O)Nc2cc([O-])c(F)cc2F)CCC1=O ZINC000909984053 622381477 /nfs/dbraw/zinc/38/14/77/622381477.db2.gz ICJHXBHOXVLQEV-JGVFFNPUSA-N -1 1 283.274 2.614 20 0 CFADMM CC(C)[C@@H]1CCO[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987905 622381942 /nfs/dbraw/zinc/38/19/42/622381942.db2.gz NPOHLGQXUVZXLM-SDBXPKJASA-N -1 1 285.290 2.670 20 0 CFADMM Cc1ccn([C@@H](C)CC(=O)Nc2cc([O-])c(F)cc2F)n1 ZINC000909988297 622382001 /nfs/dbraw/zinc/38/20/01/622382001.db2.gz FBCNWQNOYLSQAJ-VIFPVBQESA-N -1 1 295.289 2.765 20 0 CFADMM C[C@]1(C(=O)Nc2cc([O-])c(F)cc2F)CCCCO1 ZINC000909987618 622382468 /nfs/dbraw/zinc/38/24/68/622382468.db2.gz AAJCVUGSVDZJDO-CYBMUJFWSA-N -1 1 271.263 2.568 20 0 CFADMM Cc1ccc([C@@H](CNc2cccc(C)n2)C(=O)[O-])cc1 ZINC000910419315 622441794 /nfs/dbraw/zinc/44/17/94/622441794.db2.gz ZBVPSWPTCBCBEJ-CQSZACIVSA-N -1 1 270.332 2.979 20 0 CFADMM O=C(CC[C@H]1CCCO1)Nc1cc(F)cc(F)c1[O-] ZINC000910980356 622493723 /nfs/dbraw/zinc/49/37/23/622493723.db2.gz AJQSUQPBYMWOQE-SECBINFHSA-N -1 1 271.263 2.568 20 0 CFADMM CCCCC[C@@H](O)CC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910981216 622493865 /nfs/dbraw/zinc/49/38/65/622493865.db2.gz DUAFEHCOQLCWPP-SNVBAGLBSA-N -1 1 287.306 2.940 20 0 CFADMM CC[C@H]1CC[C@@H](C(=O)Nc2cc(F)cc(F)c2[O-])O1 ZINC000910981538 622493960 /nfs/dbraw/zinc/49/39/60/622493960.db2.gz HRCDAAYMEBFRCF-KWQFWETISA-N -1 1 271.263 2.567 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CCCCS1 ZINC000910981973 622494477 /nfs/dbraw/zinc/49/44/77/622494477.db2.gz GYYVNJOVSKFCQH-SNVBAGLBSA-N -1 1 273.304 2.895 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1C[C@@H]1C1CC1 ZINC000910987140 622495968 /nfs/dbraw/zinc/49/59/68/622495968.db2.gz KDVVPAWDXFHTEU-BDAKNGLRSA-N -1 1 253.248 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627328832 /nfs/dbraw/zinc/32/88/32/627328832.db2.gz ANWMRQQMICWHMN-UHFFFAOYSA-N -1 1 299.257 2.890 20 0 CFADMM O=C(N[C@H]1CCOC2(CCC2)C1)c1c([O-])cccc1Cl ZINC000768396643 627340552 /nfs/dbraw/zinc/34/05/52/627340552.db2.gz IRTYURLTAAAORK-JTQLQIEISA-N -1 1 295.766 2.877 20 0 CFADMM C[C@@H]1CC(NC(=O)c2c([O-])cccc2Cl)C[C@@H](C)O1 ZINC000768577641 627355373 /nfs/dbraw/zinc/35/53/73/627355373.db2.gz FCAZKIIBVWZWSU-RKDXNWHRSA-N -1 1 283.755 2.731 20 0 CFADMM C[C@H]1CC(NC(=O)c2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000768577640 627355893 /nfs/dbraw/zinc/35/58/93/627355893.db2.gz FCAZKIIBVWZWSU-IUCAKERBSA-N -1 1 283.755 2.731 20 0 CFADMM CCC[C@](C)(NC(=O)c1c([O-])cccc1Cl)C(=O)OC ZINC000769716164 627469567 /nfs/dbraw/zinc/46/95/67/627469567.db2.gz FOFQAROWOFEAFV-AWEZNQCLSA-N -1 1 299.754 2.507 20 0 CFADMM COc1ccc(C(=O)[N-]C(=O)CSCC=C(C)C)cc1 ZINC000772269926 627695473 /nfs/dbraw/zinc/69/54/73/627695473.db2.gz YKDJBTCXGXMQIR-UHFFFAOYSA-N -1 1 293.388 2.651 20 0 CFADMM CC(C)(C)c1nnc(COC(=O)c2ccc([O-])cc2F)o1 ZINC000773571162 627837844 /nfs/dbraw/zinc/83/78/44/627837844.db2.gz QAITZEITZFGYME-UHFFFAOYSA-N -1 1 294.282 2.569 20 0 CFADMM Cc1cnc([C@H](C)OC(=O)c2ccc([O-])cc2F)o1 ZINC000773565440 627838312 /nfs/dbraw/zinc/83/83/12/627838312.db2.gz IHQIYUALGGIDAU-QMMMGPOBSA-N -1 1 265.240 2.746 20 0 CFADMM O=C(OCCCOCC(F)(F)F)c1ccc([O-])cc1F ZINC000773576700 627839158 /nfs/dbraw/zinc/83/91/58/627839158.db2.gz CEVSIEUSPRXMTI-UHFFFAOYSA-N -1 1 296.216 2.657 20 0 CFADMM CC(C)(C)c1noc(COC(=O)c2ccc([O-])cc2F)n1 ZINC000773577176 627839193 /nfs/dbraw/zinc/83/91/93/627839193.db2.gz SHZHVQXJVWPQQX-UHFFFAOYSA-N -1 1 294.282 2.569 20 0 CFADMM O=C(Nc1ccc2[nH]nnc2c1)c1cccc(Cl)c1[O-] ZINC000775772232 628065118 /nfs/dbraw/zinc/06/51/18/628065118.db2.gz SRNOIFLYFLPQLH-UHFFFAOYSA-N -1 1 288.694 2.569 20 0 CFADMM CCN1C[C@@H](C)N(C(=O)c2cccc(Cl)c2[O-])C[C@@H]1C ZINC000775803932 628070347 /nfs/dbraw/zinc/07/03/47/628070347.db2.gz DUCMRQOGSQWEND-WDEREUQCSA-N -1 1 296.798 2.600 20 0 CFADMM CCN1C[C@H](C)N(C(=O)c2cccc(Cl)c2[O-])C[C@H]1C ZINC000775803928 628070502 /nfs/dbraw/zinc/07/05/02/628070502.db2.gz DUCMRQOGSQWEND-MNOVXSKESA-N -1 1 296.798 2.600 20 0 CFADMM Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])no1 ZINC000776448127 628151261 /nfs/dbraw/zinc/15/12/61/628151261.db2.gz NPBJYFWJFOFFQH-UHFFFAOYSA-N -1 1 286.209 2.960 20 0 CFADMM O=C(NN1CCCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000776488745 628153176 /nfs/dbraw/zinc/15/31/76/628153176.db2.gz RUMGECCSOQKWQG-UHFFFAOYSA-N -1 1 288.269 2.542 20 0 CFADMM Cc1nc(S[C@@H](C)OC(=O)OC(C)C)[n-]c(=O)c1C ZINC000776868912 628183794 /nfs/dbraw/zinc/18/37/94/628183794.db2.gz VFGHPFWOSCQFEA-VIFPVBQESA-N -1 1 286.353 2.799 20 0 CFADMM O=C(Nc1ccncc1[O-])c1cc2ccccc2c(Cl)n1 ZINC000777803785 628253899 /nfs/dbraw/zinc/25/38/99/628253899.db2.gz RUBHWNDGXUESQZ-UHFFFAOYSA-N -1 1 299.717 2.663 20 0 CFADMM O=C(C[C@H]1OC(=O)c2ccccc21)[N-]OC1CCCCC1 ZINC000777960685 628267488 /nfs/dbraw/zinc/26/74/88/628267488.db2.gz HXHIQDUZJIMDFR-CQSZACIVSA-N -1 1 289.331 2.669 20 0 CFADMM C[C@H]1CCN(C(=O)c2c([O-])cccc2Cl)C[C@H]1F ZINC000778470059 628309648 /nfs/dbraw/zinc/30/96/48/628309648.db2.gz OYHRJVHQJSHUIQ-WCBMZHEXSA-N -1 1 271.719 2.866 20 0 CFADMM Cc1cnc(C(=O)N[C@@H](c2ccccn2)C(C)C)c([O-])c1 ZINC000778883882 628338986 /nfs/dbraw/zinc/33/89/86/628338986.db2.gz OEZAPMFCYNGRLV-CQSZACIVSA-N -1 1 285.347 2.618 20 0 CFADMM Cc1ccc(C(F)(F)C(=O)Nc2ncccc2[O-])cc1 ZINC000780326699 628455496 /nfs/dbraw/zinc/45/54/96/628455496.db2.gz QMYDIJRFWYZJAA-UHFFFAOYSA-N -1 1 278.258 2.826 20 0 CFADMM CC1(OCC(=O)Nc2ccc([O-])c(Cl)c2)CCC1 ZINC000780991513 628511648 /nfs/dbraw/zinc/51/16/48/628511648.db2.gz ABIWDCOZAAHIRK-UHFFFAOYSA-N -1 1 269.728 2.943 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1CC(C)(C)C1 ZINC000781845712 628585625 /nfs/dbraw/zinc/58/56/25/628585625.db2.gz OVRGRKFHJVNRNO-UHFFFAOYSA-N -1 1 291.395 2.780 20 0 CFADMM CC(C)[C@H]1C[C@H]1C(=O)Nc1nc(Br)ccc1[O-] ZINC000783906333 628754635 /nfs/dbraw/zinc/75/46/35/628754635.db2.gz RLPOCXUCKXKONR-HTQZYQBOSA-N -1 1 299.168 2.780 20 0 CFADMM CC(C)[C@H](F)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000784771311 628842070 /nfs/dbraw/zinc/84/20/70/628842070.db2.gz ZGEDFBCDPMXAOU-ZDUSSCGKSA-N -1 1 277.299 2.715 20 0 CFADMM Cc1cc(C)nc(SCCC[N-]C(=O)C(F)(F)F)c1 ZINC000786741365 628976757 /nfs/dbraw/zinc/97/67/57/628976757.db2.gz MCKYVYIPNHXJKR-UHFFFAOYSA-N -1 1 292.326 2.859 20 0 CFADMM COC[C@H]([N-]C(=O)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000787378830 629010289 /nfs/dbraw/zinc/01/02/89/629010289.db2.gz SNYFGOZKRYEFTP-VIFPVBQESA-N -1 1 297.223 2.774 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc2c(c1)COC2 ZINC000790047042 629205080 /nfs/dbraw/zinc/20/50/80/629205080.db2.gz ATARBVAXFUZVLX-UHFFFAOYSA-N -1 1 290.706 2.723 20 0 CFADMM CCc1noc(C)c1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790046831 629205087 /nfs/dbraw/zinc/20/50/87/629205087.db2.gz OSHDTNLXNAHCRK-UHFFFAOYSA-N -1 1 281.699 2.552 20 0 CFADMM CS[C@H](C)CCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790049255 629205358 /nfs/dbraw/zinc/20/53/58/629205358.db2.gz WYJNNKVJGGMWMY-SSDOTTSWSA-N -1 1 274.773 2.911 20 0 CFADMM CCc1cccnc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047964 629205743 /nfs/dbraw/zinc/20/57/43/629205743.db2.gz NNVVPWBGEKAAJY-UHFFFAOYSA-N -1 1 277.711 2.650 20 0 CFADMM COC1(COC(=O)c2ccc([O-])cc2F)CCCC1 ZINC000791438672 629315722 /nfs/dbraw/zinc/31/57/22/629315722.db2.gz DUVGHMSBOYCLFL-UHFFFAOYSA-N -1 1 268.284 2.647 20 0 CFADMM COC(=O)c1ccc(C(=O)OCC2CCC(C)CC2)[n-]1 ZINC000796346907 629907243 /nfs/dbraw/zinc/90/72/43/629907243.db2.gz WJRDISKOGQVUIM-UHFFFAOYSA-N -1 1 279.336 2.784 20 0 CFADMM COC(=O)c1ccc(C(=O)OC[C@@H]2CCc3ccccc32)[n-]1 ZINC000796351682 629907602 /nfs/dbraw/zinc/90/76/02/629907602.db2.gz SLGHSRZOKWYIFC-LBPRGKRZSA-N -1 1 299.326 2.688 20 0 CFADMM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1nonc1C ZINC000796625333 629942553 /nfs/dbraw/zinc/94/25/53/629942553.db2.gz GRRFXMYXLDMXAF-UHFFFAOYSA-N -1 1 298.302 2.848 20 0 CFADMM COC(=O)c1ccc(C(=O)Oc2ccc(Cl)cc2C)[n-]1 ZINC000796732967 629957110 /nfs/dbraw/zinc/95/71/10/629957110.db2.gz RWCOTIFOFYYVBP-UHFFFAOYSA-N -1 1 293.706 2.982 20 0 CFADMM COC(=O)c1ccc(C(=O)Oc2cccc(C)c2C)[n-]1 ZINC000796731942 629957190 /nfs/dbraw/zinc/95/71/90/629957190.db2.gz LTELWLIQHAVVBS-UHFFFAOYSA-N -1 1 273.288 2.637 20 0 CFADMM CCO[N-]C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000798864539 630248340 /nfs/dbraw/zinc/24/83/40/630248340.db2.gz SPXYSQYUIGAWPC-QMMMGPOBSA-N -1 1 261.243 2.877 20 0 CFADMM CC[C@@H](C)OC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000801203583 630433582 /nfs/dbraw/zinc/43/35/82/630433582.db2.gz MBDLOPQXQQPAMI-SNVBAGLBSA-N -1 1 260.293 2.533 20 0 CFADMM Cc1ccc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)c(Cl)n1 ZINC000852730209 634817360 /nfs/dbraw/zinc/81/73/60/634817360.db2.gz PJQFKQMPWSVSCJ-ZYHUDNBSSA-N -1 1 282.771 2.729 20 0 CFADMM CC(C)c1ccc(-n2cc([O-])c(C(=O)OCCF)n2)cc1 ZINC000803522481 630626605 /nfs/dbraw/zinc/62/66/05/630626605.db2.gz DZOQSTPLGNPGSF-UHFFFAOYSA-N -1 1 292.310 2.828 20 0 CFADMM Cc1cnc(C(=O)N2CCCCCCCC2)c([O-])c1 ZINC000836924176 630918395 /nfs/dbraw/zinc/91/83/95/630918395.db2.gz BBSLUAVXHSGBPQ-UHFFFAOYSA-N -1 1 262.353 2.892 20 0 CFADMM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000807891655 630919995 /nfs/dbraw/zinc/91/99/95/630919995.db2.gz URIOCBIZOONDCQ-WDEREUQCSA-N -1 1 287.281 2.911 20 0 CFADMM CC1(C)C[C@H](O)CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000836998978 630934024 /nfs/dbraw/zinc/93/40/24/630934024.db2.gz GODZXONOQFPKIA-SNVBAGLBSA-N -1 1 297.782 2.669 20 0 CFADMM Cc1nc(SCOC2CCCC2)[n-]c(=O)c1C ZINC000808030461 630943801 /nfs/dbraw/zinc/94/38/01/630943801.db2.gz BVMBEIGVBVWNOU-UHFFFAOYSA-N -1 1 254.355 2.808 20 0 CFADMM COC[C@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000837144391 630963593 /nfs/dbraw/zinc/96/35/93/630963593.db2.gz CXGBHXZZZOHJQQ-SNVBAGLBSA-N -1 1 283.755 2.687 20 0 CFADMM C[C@H](CC(C)(C)C)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000837231425 630984022 /nfs/dbraw/zinc/98/40/22/630984022.db2.gz WKOLVGMGJYPNSS-SECBINFHSA-N -1 1 292.408 2.573 20 0 CFADMM CC[C@@H]1C[C@H]1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000837980073 631157143 /nfs/dbraw/zinc/15/71/43/631157143.db2.gz CWSPBQLHLHZQJM-NOZJJQNGSA-N -1 1 288.299 2.588 20 0 CFADMM O=C(Nc1ccc(O)cc1F)c1c(F)ccc([O-])c1F ZINC000809754727 631281212 /nfs/dbraw/zinc/28/12/12/631281212.db2.gz GAKGLWHZSORNCF-UHFFFAOYSA-N -1 1 283.205 2.767 20 0 CFADMM CCC(C)(C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000840221378 631500650 /nfs/dbraw/zinc/50/06/50/631500650.db2.gz JQQIIFHVUPMPJJ-UHFFFAOYSA-N -1 1 290.315 2.978 20 0 CFADMM C[C@@H](O[N-]C(=O)CC(C)(C)C)C(=O)NC1CCC(C)CC1 ZINC000842062750 631520231 /nfs/dbraw/zinc/52/02/31/631520231.db2.gz ABKUEJGXPBFKGX-OTTFEQOBSA-N -1 1 298.427 2.554 20 0 CFADMM CC(C)C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC000043431828 650016472 /nfs/dbraw/zinc/01/64/72/650016472.db2.gz KRIWZZVQTPULLI-DRZSPHRISA-N -1 1 265.353 2.992 20 0 CFADMM CCC[C@]1(CO)CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000811565388 631580811 /nfs/dbraw/zinc/58/08/11/631580811.db2.gz FFVXZGIHYBZOKT-HNNXBMFYSA-N -1 1 297.782 2.670 20 0 CFADMM CCC[C@@](C)(O)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000842498438 631646997 /nfs/dbraw/zinc/64/69/97/631646997.db2.gz ZMVFMVXELOYUSL-CYBMUJFWSA-N -1 1 266.272 2.589 20 0 CFADMM COc1cccc2c1n[nH]c2C(=O)Oc1ccccc1OC ZINC000813383584 631915616 /nfs/dbraw/zinc/91/56/16/631915616.db2.gz ITKGSWNHBGCOQY-UHFFFAOYSA-N -1 1 298.298 2.799 20 0 CFADMM CCC[C@H](CC)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000813427423 631919995 /nfs/dbraw/zinc/91/99/95/631919995.db2.gz HLGLDJWTUAMONP-NSHDSACASA-N -1 1 279.384 2.923 20 0 CFADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(C(F)F)CC1 ZINC000843766189 632052225 /nfs/dbraw/zinc/05/22/25/632052225.db2.gz LRUOROBZJDOIJI-UHFFFAOYSA-N -1 1 293.273 2.766 20 0 CFADMM OCC[C@@H]([N-]c1nnc(C(F)F)o1)c1cccs1 ZINC000814362372 632056079 /nfs/dbraw/zinc/05/60/79/632056079.db2.gz AHVHNQFXEPRIIA-ZCFIWIBFSA-N -1 1 275.280 2.604 20 0 CFADMM O=C([O-])C[C@H]1CCCCN1Cc1ccnc(Cl)c1 ZINC000844834941 632319964 /nfs/dbraw/zinc/31/99/64/632319964.db2.gz FBUGCVLZBMNILY-LLVKDONJSA-N -1 1 268.744 2.564 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(O)c2ccccc2c1 ZINC000816741482 632518372 /nfs/dbraw/zinc/51/83/72/632518372.db2.gz NRIOQTMLOUETIJ-UHFFFAOYSA-N -1 1 283.287 2.535 20 0 CFADMM CC[C@H](C)CO[N-]C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000816977138 632542508 /nfs/dbraw/zinc/54/25/08/632542508.db2.gz RUZAWSRAJCLUHF-UONOGXRCSA-N -1 1 290.407 2.527 20 0 CFADMM CSCC1(CC(=O)Nc2nc(Cl)ccc2[O-])CC1 ZINC000845998096 632611012 /nfs/dbraw/zinc/61/10/12/632611012.db2.gz KQADPUUGNUBSJF-UHFFFAOYSA-N -1 1 286.784 2.912 20 0 CFADMM C[C@H](C(=O)[N-]OCCC1CC1)c1cccc(F)c1 ZINC000817399720 632621110 /nfs/dbraw/zinc/62/11/10/632621110.db2.gz YAOOAJLJWSDGRL-JTQLQIEISA-N -1 1 251.301 2.777 20 0 CFADMM Cc1cnc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cn1 ZINC000846263326 632676858 /nfs/dbraw/zinc/67/68/58/632676858.db2.gz VVNNTWREGGIDQO-CYBMUJFWSA-N -1 1 299.374 2.508 20 0 CFADMM CC[C@H]1C[C@H](NC(=O)c2c([O-])cccc2Cl)CCO1 ZINC000817642928 632680786 /nfs/dbraw/zinc/68/07/86/632680786.db2.gz DZDDCLGQSLRSBS-ZJUUUORDSA-N -1 1 283.755 2.733 20 0 CFADMM COc1cccc(-c2noc([N-][C@@H](C)c3ccn(C)n3)n2)c1 ZINC000840347414 632687148 /nfs/dbraw/zinc/68/71/48/632687148.db2.gz ROYCUJUNDXKMLN-JTQLQIEISA-N -1 1 299.334 2.652 20 0 CFADMM C[C@]1(CCNC(=O)c2c([O-])cccc2F)C[C@@]1(F)Cl ZINC000846412628 632706828 /nfs/dbraw/zinc/70/68/28/632706828.db2.gz RMYORVVHCQFPMS-STQMWFEESA-N -1 1 289.709 2.966 20 0 CFADMM C[C@@]1(CCNC(=O)c2ccc([O-])cc2F)C[C@@]1(F)Cl ZINC000846412533 632707146 /nfs/dbraw/zinc/70/71/46/632707146.db2.gz QTIFLJLRSNJWIF-OLZOCXBDSA-N -1 1 289.709 2.966 20 0 CFADMM CO[C@@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000846454649 632713429 /nfs/dbraw/zinc/71/34/29/632713429.db2.gz YOSKNXBMNQECET-ZYHUDNBSSA-N -1 1 283.755 2.733 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@]2(CC2(F)F)C1 ZINC000846575981 632746850 /nfs/dbraw/zinc/74/68/50/632746850.db2.gz BSJRLNGYMGSXMB-ZDUSSCGKSA-N -1 1 285.265 2.793 20 0 CFADMM O=C([O-])CC[C@H]1CCCCN1Cc1cccnc1Cl ZINC000818329435 632829348 /nfs/dbraw/zinc/82/93/48/632829348.db2.gz 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DKRUBNBWRNYBJE-ZETCQYMHSA-N -1 1 275.682 2.821 20 0 CFADMM CCCc1cc(C(=O)[N-]c2ccnc(F)c2F)no1 ZINC000857695695 636011281 /nfs/dbraw/zinc/01/12/81/636011281.db2.gz ALOMMYWQZCXIIF-UHFFFAOYSA-N -1 1 267.235 2.553 20 0 CFADMM C[C@@H](CCc1ccco1)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858322440 636190398 /nfs/dbraw/zinc/19/03/98/636190398.db2.gz WGZRIDXJOGLSTC-QMMMGPOBSA-N -1 1 267.716 2.862 20 0 CFADMM C[C@H]1CCCC[C@@H]1OCCNc1cc(Cl)[n-]c(=O)n1 ZINC000858352312 636204168 /nfs/dbraw/zinc/20/41/68/636204168.db2.gz YNGCGMGSURCAFJ-UWVGGRQHSA-N -1 1 285.775 2.843 20 0 CFADMM O=c1nc(N2CCC[C@H]2C2CCCC2)cc(Cl)[n-]1 ZINC000858360238 636206370 /nfs/dbraw/zinc/20/63/70/636206370.db2.gz YCEKJSFKWLFJLF-JTQLQIEISA-N -1 1 267.760 2.995 20 0 CFADMM CCS[C@H]1CCCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858407712 636223699 /nfs/dbraw/zinc/22/36/99/636223699.db2.gz MAPLXQIEEHCISR-VIFPVBQESA-N -1 1 287.816 2.948 20 0 CFADMM O=c1nc(N2CCC[C@@H]3CCC[C@H]32)cc(Cl)[n-]1 ZINC000858427200 636235419 /nfs/dbraw/zinc/23/54/19/636235419.db2.gz 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/nfs/dbraw/zinc/26/55/43/636265543.db2.gz FQAUPRBTUYKJJJ-UHFFFAOYSA-N -1 1 285.775 2.843 20 0 CFADMM O=c1nc(NCCC[C@H]2CCCCO2)cc(Cl)[n-]1 ZINC000858483308 636266490 /nfs/dbraw/zinc/26/64/90/636266490.db2.gz HFPYAPYCOWHAFQ-SECBINFHSA-N -1 1 271.748 2.597 20 0 CFADMM O=c1nc(N2CC[C@@H](CC(F)(F)F)C2)cc(Cl)[n-]1 ZINC000858516781 636280723 /nfs/dbraw/zinc/28/07/23/636280723.db2.gz MQZFORXWHPJWGA-LURJTMIESA-N -1 1 281.665 2.614 20 0 CFADMM O=c1nc(N2CCC([C@H]3CCCCO3)CC2)cc(Cl)[n-]1 ZINC000858629501 636313678 /nfs/dbraw/zinc/31/36/78/636313678.db2.gz SIUKFMZBENJORW-LLVKDONJSA-N -1 1 297.786 2.621 20 0 CFADMM O=c1nc(N2CCC[C@@H]([C@H]3CCCCO3)C2)cc(Cl)[n-]1 ZINC000858628942 636313741 /nfs/dbraw/zinc/31/37/41/636313741.db2.gz KYNSJSRYWWCRFP-GHMZBOCLSA-N -1 1 297.786 2.621 20 0 CFADMM CCO[C@@H](COC(=O)c1cc(-c2ccco2)n[nH]1)C1CC1 ZINC000859489415 636580133 /nfs/dbraw/zinc/58/01/33/636580133.db2.gz ITYFKUBENBQRML-AWEZNQCLSA-N -1 1 290.319 2.642 20 0 CFADMM CCOc1cccc(CCC(=O)[N-]OCC(F)(F)F)c1 ZINC000860201896 636825159 /nfs/dbraw/zinc/82/51/59/636825159.db2.gz PHYRTTACPKFVTQ-UHFFFAOYSA-N -1 1 291.269 2.628 20 0 CFADMM CC1(C)C[C@@H](C(=O)Nc2nc(Cl)ccc2[O-])C(C)(C)O1 ZINC000861252087 637133575 /nfs/dbraw/zinc/13/35/75/637133575.db2.gz WIZOOSIPAKYLIY-QMMMGPOBSA-N -1 1 298.770 2.973 20 0 CFADMM CCC[C@H](OCC)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000861759149 637233139 /nfs/dbraw/zinc/23/31/39/637233139.db2.gz MQMGEJKCZWPXDG-ZDUSSCGKSA-N -1 1 292.335 2.596 20 0 CFADMM COCc1cccc(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000188362569 650325425 /nfs/dbraw/zinc/32/54/25/650325425.db2.gz HKCJOHQCUSGDPY-UHFFFAOYSA-N -1 1 292.722 2.839 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(Cl)c[nH]1 ZINC000188357411 650325569 /nfs/dbraw/zinc/32/55/69/650325569.db2.gz PHKNHQIYMCOMTJ-UHFFFAOYSA-N -1 1 272.091 2.674 20 0 CFADMM CC1(c2nsc([N-]C(=O)c3ccnc(F)c3F)n2)CC1 ZINC000862610406 637451669 /nfs/dbraw/zinc/45/16/69/637451669.db2.gz NJLDYUXWCWYTKA-UHFFFAOYSA-N -1 1 296.302 2.515 20 0 CFADMM O=C(Nc1cccc(F)c1[O-])C1CC2(CC2(F)F)C1 ZINC000863008571 637535855 /nfs/dbraw/zinc/53/58/55/637535855.db2.gz WYTWSCLQPLYSIA-UHFFFAOYSA-N -1 1 271.238 2.905 20 0 CFADMM C[C@@]1(Br)C[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000863008077 637536026 /nfs/dbraw/zinc/53/60/26/637536026.db2.gz GNPCLYXWCHFNSC-UPONEAKYSA-N -1 1 288.116 2.643 20 0 CFADMM C[C@@H](CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1CC1 ZINC000863476234 637671647 /nfs/dbraw/zinc/67/16/47/637671647.db2.gz XXMTYIZYWQNNGF-NSHDSACASA-N -1 1 285.347 2.953 20 0 CFADMM CCN[C@H](C)c1nc(-c2ccccc2/C=C\C(=O)[O-])no1 ZINC000863655736 637728326 /nfs/dbraw/zinc/72/83/26/637728326.db2.gz IHENSRICUJGGSQ-HSTULFTRSA-N -1 1 287.319 2.505 20 0 CFADMM CO[C@@H](C)Cc1nc(=O)c2c(C)sc(C)c2[n-]1 ZINC000864354952 637950971 /nfs/dbraw/zinc/95/09/71/637950971.db2.gz JUEGPHUNLOGNEN-LURJTMIESA-N -1 1 252.339 2.591 20 0 CFADMM CCN1CC(=O)N[C@@H]1c1cc(Cl)c2ccccc2c1[O-] ZINC000189856643 650399008 /nfs/dbraw/zinc/39/90/08/650399008.db2.gz JGAXZKXKNUSZSE-HNNXBMFYSA-N -1 1 290.750 2.649 20 0 CFADMM Cc1nc(SCCOC(F)F)[n-]c(=O)c1C1CC1 ZINC000865373248 638291066 /nfs/dbraw/zinc/29/10/66/638291066.db2.gz LUUDVOVKTSEPTF-UHFFFAOYSA-N -1 1 276.308 2.699 20 0 CFADMM O=c1nc(N2CCC[C@@H](OC3CCC3)CC2)cc(Cl)[n-]1 ZINC000866145053 638757361 /nfs/dbraw/zinc/75/73/61/638757361.db2.gz GKFPIZYHGZVYOD-LLVKDONJSA-N -1 1 297.786 2.764 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H]1C(F)F ZINC000868602426 638960754 /nfs/dbraw/zinc/96/07/54/638960754.db2.gz WHKYHYLGWBMDPT-QMMMGPOBSA-N -1 1 261.655 2.525 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H]1C(F)F ZINC000868602425 638960789 /nfs/dbraw/zinc/96/07/89/638960789.db2.gz WHKYHYLGWBMDPT-MRVPVSSYSA-N -1 1 261.655 2.525 20 0 CFADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000868787618 638979478 /nfs/dbraw/zinc/97/94/78/638979478.db2.gz DLVHWIOEMPSQQP-XAVMHZPKSA-N -1 1 267.275 2.901 20 0 CFADMM CC(C)n1cnc([N-]C(=O)c2conc2C2CCCC2)n1 ZINC000869129294 639036812 /nfs/dbraw/zinc/03/68/12/639036812.db2.gz HAZQHKJJNHTOGW-UHFFFAOYSA-N 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CFADMM Cc1[n-]n(-c2cccc(Br)n2)c(=O)c1C1CC1 ZINC000871952159 641524940 /nfs/dbraw/zinc/52/49/40/641524940.db2.gz VNCZPQFGZRSCOF-LLVKDONJSA-N -1 1 294.152 2.593 20 0 CFADMM CCCc1c(C)[n-]n(-c2ccnc(Cl)c2)c1=O ZINC000871953718 641527181 /nfs/dbraw/zinc/52/71/81/641527181.db2.gz ZMSUVBFHKRESLY-JTQLQIEISA-N -1 1 251.717 2.874 20 0 CFADMM CCc1c(C)[n-]n(-c2ccnc(Br)c2)c1=O ZINC000871953046 641527537 /nfs/dbraw/zinc/52/75/37/641527537.db2.gz YUAHOAIGGQZNOP-SECBINFHSA-N -1 1 282.141 2.593 20 0 CFADMM Cc1[n-]n(-c2ccccc2OC(F)(F)F)c(=O)c1F ZINC000871958750 641531508 /nfs/dbraw/zinc/53/15/08/641531508.db2.gz FRGJYJUMBLQMCN-SECBINFHSA-N -1 1 276.189 2.646 20 0 CFADMM CC1(C)OCC[C@H]1n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871961475 641533668 /nfs/dbraw/zinc/53/36/68/641533668.db2.gz LGQCMGUXTZHSMO-ZYHUDNBSSA-N -1 1 264.369 2.578 20 0 CFADMM C[C@@H]1CN(Cc2cc(C(F)(F)F)co2)CC[C@@H]1C(=O)[O-] ZINC000872160158 641680914 /nfs/dbraw/zinc/68/09/14/641680914.db2.gz CFDKFTKNUFXRQS-KCJUWKMLSA-N -1 1 291.269 2.841 20 0 CFADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cn2)Cc2ccccc21 ZINC000872166785 641687232 /nfs/dbraw/zinc/68/72/32/641687232.db2.gz RIWDIGPQERDALO-GFCCVEGCSA-N -1 1 282.343 2.899 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000080539869 650688405 /nfs/dbraw/zinc/68/84/05/650688405.db2.gz NMJRDXYWDBRONF-JQWIXIFHSA-N -1 1 291.395 2.510 20 0 CFADMM O=S(=O)([N-][C@@H]1CC12CCC2)c1c(F)cccc1Cl ZINC000872653136 641887798 /nfs/dbraw/zinc/88/77/98/641887798.db2.gz ZIVNRGQZCXIJLI-SNVBAGLBSA-N -1 1 289.759 2.700 20 0 CFADMM [O-]c1ccc(CNc2ncnc3c2CCC3)cc1Cl ZINC000872726359 641913353 /nfs/dbraw/zinc/91/33/53/641913353.db2.gz PJPHZRQINFEDFD-UHFFFAOYSA-N -1 1 275.739 2.936 20 0 CFADMM O=C(NCc1ccc([O-])c(Cl)c1)NC1CC=CC1 ZINC000872938628 641967582 /nfs/dbraw/zinc/96/75/82/641967582.db2.gz CSYCGNZWIOGVCS-UHFFFAOYSA-N -1 1 266.728 2.563 20 0 CFADMM Cc1ccc(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)nc1Cl ZINC000873643205 642285323 /nfs/dbraw/zinc/28/53/23/642285323.db2.gz GVYWIMZUAHAKPD-JQWIXIFHSA-N -1 1 282.771 2.586 20 0 CFADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(C(F)(F)F)co1 ZINC000873642457 642285479 /nfs/dbraw/zinc/28/54/79/642285479.db2.gz VJQYBEBSLSTWBF-DTWKUNHWSA-N -1 1 291.269 2.984 20 0 CFADMM Cc1noc(C)c1[N-]C(=O)c1coc(C(C)(C)C)n1 ZINC000874243423 642354605 /nfs/dbraw/zinc/35/46/05/642354605.db2.gz YSHUMUDXRVCUHT-UHFFFAOYSA-N -1 1 263.297 2.829 20 0 CFADMM CC[C@@H](C)NC(=O)[C@@H](C)O[N-]C(=O)CCC1CCCCC1 ZINC000083536927 650764442 /nfs/dbraw/zinc/76/44/42/650764442.db2.gz UJQBZYMCCLWIMW-CHWSQXEVSA-N -1 1 298.427 2.698 20 0 CFADMM CC[C@H](C)NC(=O)[C@@H](C)O[N-]C(=O)CCC1CCCCC1 ZINC000083536929 650764691 /nfs/dbraw/zinc/76/46/91/650764691.db2.gz UJQBZYMCCLWIMW-QWHCGFSZSA-N -1 1 298.427 2.698 20 0 CFADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000875543488 642639609 /nfs/dbraw/zinc/63/96/09/642639609.db2.gz MATMIEZVRBSNTC-DDFAGTSDSA-N -1 1 280.755 2.643 20 0 CFADMM CN(C(=O)NCc1ccc([O-])c(Cl)c1)C1CCC1 ZINC000876393193 642851247 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Cc1ccc([C@H](C)Oc2[n-]c(=O)nc3c2COC3)c(C)c1 ZINC001227686824 776257794 /nfs/dbraw/zinc/25/77/94/776257794.db2.gz VQNRFHJBFHBUMC-NSHDSACASA-N -1 1 286.331 2.969 20 0 CFADMM C[C@@H](Oc1[n-]c(=O)nc2c1CO[C@H]2C)c1cccs1 ZINC001227709597 776265390 /nfs/dbraw/zinc/26/53/90/776265390.db2.gz FBBRIJAWKDTABW-SFYZADRCSA-N -1 1 278.333 2.975 20 0 CFADMM CSc1nc(O[C@@H](C)COc2ccccc2)cc(=O)[n-]1 ZINC001228090568 776392591 /nfs/dbraw/zinc/39/25/91/776392591.db2.gz MEYFBHXIQCQYEB-JTQLQIEISA-N -1 1 292.360 2.750 20 0 CFADMM CSc1nc(O[C@H](C(C)=O)c2ccccc2)cc(=O)[n-]1 ZINC001228094630 776395778 /nfs/dbraw/zinc/39/57/78/776395778.db2.gz LFRUCBVPFCYOPB-CYBMUJFWSA-N -1 1 290.344 2.613 20 0 CFADMM COC(=O)c1n[n-]c(O[C@H]2CC[C@@H](C(C)(C)C)CC2)n1 ZINC001228311911 776453968 /nfs/dbraw/zinc/45/39/68/776453968.db2.gz ONPLSCZZLMJNBL-AOOOYVTPSA-N -1 1 281.356 2.575 20 0 CFADMM COC(=O)c1nc(O[C@H]2CC[C@@H](C(C)(C)C)CC2)n[n-]1 ZINC001228311911 776453972 /nfs/dbraw/zinc/45/39/72/776453972.db2.gz ONPLSCZZLMJNBL-AOOOYVTPSA-N -1 1 281.356 2.575 20 0 CFADMM COC(=O)c1n[n-]c(O[C@H](C)c2ccc3ccccc3c2)n1 ZINC001228308654 776454247 /nfs/dbraw/zinc/45/42/47/776454247.db2.gz MEAFEJSLNWGWRQ-SNVBAGLBSA-N -1 1 297.314 2.885 20 0 CFADMM COC(=O)c1nc(O[C@H](C)c2ccc3ccccc3c2)n[n-]1 ZINC001228308654 776454254 /nfs/dbraw/zinc/45/42/54/776454254.db2.gz MEAFEJSLNWGWRQ-SNVBAGLBSA-N -1 1 297.314 2.885 20 0 CFADMM COC(=O)c1n[n-]c(O[C@H]2CC[C@H](C(C)(C)C)CC2)n1 ZINC001228311912 776454286 /nfs/dbraw/zinc/45/42/86/776454286.db2.gz ONPLSCZZLMJNBL-MGCOHNPYSA-N -1 1 281.356 2.575 20 0 CFADMM COC(=O)c1nc(O[C@H]2CC[C@H](C(C)(C)C)CC2)n[n-]1 ZINC001228311912 776454292 /nfs/dbraw/zinc/45/42/92/776454292.db2.gz ONPLSCZZLMJNBL-MGCOHNPYSA-N -1 1 281.356 2.575 20 0 CFADMM COC(=O)c1n[n-]c(O[C@@H](C)c2cc(Cl)ccc2C)n1 ZINC001228312772 776455617 /nfs/dbraw/zinc/45/56/17/776455617.db2.gz WKRIBVZREBXOKF-QMMMGPOBSA-N -1 1 295.726 2.693 20 0 CFADMM COC(=O)c1nc(O[C@@H](C)c2cc(Cl)ccc2C)n[n-]1 ZINC001228312772 776455627 /nfs/dbraw/zinc/45/56/27/776455627.db2.gz WKRIBVZREBXOKF-QMMMGPOBSA-N -1 1 295.726 2.693 20 0 CFADMM CCC(=O)c1c(O)cc([O-])cc1OC1CN(C(C)(C)C)C1 ZINC001228557697 776520285 /nfs/dbraw/zinc/52/02/85/776520285.db2.gz ABDMGPYOKBWXQG-UHFFFAOYSA-N -1 1 293.363 2.552 20 0 CFADMM Cc1ccc2c(c1)[C@@H](Oc1cnnc(=S)[n-]1)CC2 ZINC001228639933 776549060 /nfs/dbraw/zinc/54/90/60/776549060.db2.gz NKCJMGTUJSJDPM-NSHDSACASA-N -1 1 259.334 2.535 20 0 CFADMM FC(F)(F)[C@H]1CC[C@H](Oc2cnnc(=S)[n-]2)CC1 ZINC001228641840 776549814 /nfs/dbraw/zinc/54/98/14/776549814.db2.gz JQIOVSJJYLJOEX-LJGSYFOKSA-N -1 1 279.287 2.660 20 0 CFADMM S=c1nc2ccccc2c(OC[C@H]2CCC=CO2)[n-]1 ZINC001228766874 776602798 /nfs/dbraw/zinc/60/27/98/776602798.db2.gz WETZPZZRKKVQOV-SNVBAGLBSA-N -1 1 274.345 2.990 20 0 CFADMM CO[C@H]1CCCC[C@@H]1Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229132263 776728769 /nfs/dbraw/zinc/72/87/69/776728769.db2.gz QXSXISXHFYTENR-STQMWFEESA-N -1 1 290.315 2.835 20 0 CFADMM COc1cc2ccc(=O)oc2c(O[C@@H]2C=CCC2)c1[O-] 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COc1c(O[C@@H](CC(C)C)C(C)C)nc(C)[n-]c1=O ZINC001230021022 776942198 /nfs/dbraw/zinc/94/21/98/776942198.db2.gz KLXBVNOZEPLAST-NSHDSACASA-N -1 1 268.357 2.949 20 0 CFADMM COc1c(O[C@@H]2C[C@@H](C)CC[C@@H]2C)nc(C)[n-]c1=O ZINC001230020851 776942500 /nfs/dbraw/zinc/94/25/00/776942500.db2.gz GUBZOJRWXWJHAP-ATZCPNFKSA-N -1 1 266.341 2.703 20 0 CFADMM COc1c(=O)[n-]c(C)nc1O[C@H]1CCCc2ccccc21 ZINC001230021663 776942670 /nfs/dbraw/zinc/94/26/70/776942670.db2.gz NZSFBLXIZDZGCI-ZDUSSCGKSA-N -1 1 286.331 2.956 20 0 CFADMM CCCCC[C@@H](C)Oc1nc(C)[n-]c(=O)c1OC ZINC001230020942 776942826 /nfs/dbraw/zinc/94/28/26/776942826.db2.gz KLHQJOKTBUZMDB-SECBINFHSA-N -1 1 254.330 2.847 20 0 CFADMM COC(=O)c1c[n-]c(O[C@H]2CCc3cccc(C)c32)n1 ZINC001230280308 776969999 /nfs/dbraw/zinc/96/99/99/776969999.db2.gz QGUDXEDQDAFZJL-LBPRGKRZSA-N -1 1 272.304 2.571 20 0 CFADMM CCC[C@H](Oc1nc(C(=O)OC)c[n-]1)[C@H](C)CC ZINC001230280732 776970749 /nfs/dbraw/zinc/97/07/49/776970749.db2.gz ZWCCDUKCYYPQCN-KOLCDFICSA-N -1 1 254.330 2.790 20 0 CFADMM O=C(NC[C@]12C[C@H]1CCCC2)c1c([O-])cccc1F ZINC000710541606 777084228 /nfs/dbraw/zinc/08/42/28/777084228.db2.gz OSEURRWKXZNCRW-BMIGLBTASA-N -1 1 263.312 2.841 20 0 CFADMM [O-]c1cccnc1-c1ncccc1OC[C@H]1CCCCO1 ZINC001231199948 777170282 /nfs/dbraw/zinc/17/02/82/777170282.db2.gz HVMJDUHWQMMXPA-GFCCVEGCSA-N -1 1 286.331 2.797 20 0 CFADMM O=C1CCCC[C@@H]1Oc1cccnc1-c1ncccc1[O-] ZINC001231204790 777171568 /nfs/dbraw/zinc/17/15/68/777171568.db2.gz UEDFSPMZRGNMDF-ZDUSSCGKSA-N -1 1 284.315 2.740 20 0 CFADMM CC(=O)[C@@H]1CCCN1Cc1ccc(Cl)c([O-])c1 ZINC001231734726 777317732 /nfs/dbraw/zinc/31/77/32/777317732.db2.gz DAGVMKXBTWXPNC-LBPRGKRZSA-N -1 1 253.729 2.599 20 0 CFADMM COC(=O)[C@@]1(C)CCCN1Cc1ccc(Cl)c([O-])c1 ZINC001231729759 777314558 /nfs/dbraw/zinc/31/45/58/777314558.db2.gz BNVIIAQULFBHJY-CQSZACIVSA-N -1 1 283.755 2.573 20 0 CFADMM [O-]c1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)ccc1Cl ZINC001231729729 777315094 /nfs/dbraw/zinc/31/50/94/777315094.db2.gz BERAVGSLEBOFLO-NHCYSSNCSA-N -1 1 255.720 2.835 20 0 CFADMM [O-]c1cc(CN2C[C@@H](F)C[C@H]2CF)ccc1Cl ZINC001231732765 777316727 /nfs/dbraw/zinc/31/67/27/777316727.db2.gz FHNXRMUMVIQJIO-UWVGGRQHSA-N -1 1 261.699 2.928 20 0 CFADMM [O-]c1cc(CN2CC3(CSC3)C2)ccc1Cl ZINC001231734661 777318275 /nfs/dbraw/zinc/31/82/75/777318275.db2.gz CVAWXIDFJIULTI-UHFFFAOYSA-N -1 1 255.770 2.594 20 0 CFADMM O=C([O-])COc1ccccc1CN1CCCCC12CC2 ZINC001231797846 777339793 /nfs/dbraw/zinc/33/97/93/777339793.db2.gz YBICZRHQCGHZJO-UHFFFAOYSA-N -1 1 275.348 2.669 20 0 CFADMM CCC[C@H](Oc1nc(=O)[n-]cc1OC)C(C)(C)C ZINC001226822604 777659796 /nfs/dbraw/zinc/65/97/96/777659796.db2.gz OIWMTVQGEGDGDF-JTQLQIEISA-N -1 1 254.330 2.784 20 0 CFADMM CC(=O)[C@@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC001232789073 777670914 /nfs/dbraw/zinc/67/09/14/777670914.db2.gz VDYXFNBFGNVPCZ-LBPRGKRZSA-N -1 1 267.756 2.989 20 0 CFADMM [O-]c1c(F)ccc(CN2CCC[C@@H]2c2cnccn2)c1F ZINC001232934472 777723317 /nfs/dbraw/zinc/72/33/17/777723317.db2.gz GIYPDEWZDPKJPQ-CYBMUJFWSA-N -1 1 291.301 2.798 20 0 CFADMM CN(Cc1nccs1)Cc1ccc(F)c([O-])c1F ZINC001232936401 777726147 /nfs/dbraw/zinc/72/61/47/777726147.db2.gz CQIBZWLGWCNYHS-UHFFFAOYSA-N -1 1 270.304 2.759 20 0 CFADMM CN(Cc1cc([O-])c(F)c(F)c1)C1CC(F)(F)C1 ZINC001232969504 777744215 /nfs/dbraw/zinc/74/42/15/777744215.db2.gz QWNHWQNCSXTLAU-UHFFFAOYSA-N -1 1 263.234 2.900 20 0 CFADMM C[C@]1(F)CCN(Cc2cc([O-])c(F)c(F)c2)C[C@@H]1F ZINC001232968497 777745345 /nfs/dbraw/zinc/74/53/45/777745345.db2.gz DCDHQRMZLNOHHQ-AAEUAGOBSA-N -1 1 277.261 2.942 20 0 CFADMM CCOC1CCN(Cc2cc([O-])c(F)c(F)c2)CC1 ZINC001232971906 777746070 /nfs/dbraw/zinc/74/60/70/777746070.db2.gz RSYQPTYQLKTVDN-UHFFFAOYSA-N -1 1 271.307 2.671 20 0 CFADMM [O-]c1cc(CN2CCc3cc(O)ccc3C2)cc(F)c1F ZINC001232972798 777747270 /nfs/dbraw/zinc/74/72/70/777747270.db2.gz WWOZLVCCSIBPJJ-UHFFFAOYSA-N -1 1 291.297 2.934 20 0 CFADMM [O-]c1cc(CN2CCc3ccncc3C2)cc(F)c1F ZINC001232973398 777749054 /nfs/dbraw/zinc/74/90/54/777749054.db2.gz WNGNDIIVMRKRHE-UHFFFAOYSA-N -1 1 276.286 2.624 20 0 CFADMM [O-]c1cc(CN2Cc3ncsc3C2)cc(F)c1F ZINC001232975990 777750068 /nfs/dbraw/zinc/75/00/68/777750068.db2.gz SSWCKMZHLUUZGA-UHFFFAOYSA-N -1 1 268.288 2.643 20 0 CFADMM [O-]c1cnc(Cl)cc1CN1CC[C@H](C(F)(F)F)C1 ZINC001233034349 777772534 /nfs/dbraw/zinc/77/25/34/777772534.db2.gz JXTNEKXEJIHTFJ-QMMMGPOBSA-N -1 1 280.677 2.825 20 0 CFADMM COc1c(Nc2cc(=O)[n-]c(SC)n2)ccc(F)c1F ZINC001211889483 777799685 /nfs/dbraw/zinc/79/96/85/777799685.db2.gz RKRDRONDTHPOEO-UHFFFAOYSA-N -1 1 299.302 2.935 20 0 CFADMM CC(C)Oc1cncc(COc2[n-]c(=S)ncc2F)c1 ZINC001227386916 777831847 /nfs/dbraw/zinc/83/18/47/777831847.db2.gz QMRAKTKMVGNEDG-UHFFFAOYSA-N -1 1 295.339 2.666 20 0 CFADMM CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1ccc([S-])cc1 ZINC001233261871 777852582 /nfs/dbraw/zinc/85/25/82/777852582.db2.gz HLGCVUMXZUBMRG-FZMZJTMJSA-N -1 1 281.421 2.995 20 0 CFADMM C=CC(=O)OC[C@@H](C)Oc1cc([O-])ccc1C(=O)CCC ZINC001233649927 778024694 /nfs/dbraw/zinc/02/46/94/778024694.db2.gz GBWMBYLUWODBHV-LLVKDONJSA-N -1 1 292.331 2.872 20 0 CFADMM CC[C@H](C[C@@H](C)CC)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233757919 778065819 /nfs/dbraw/zinc/06/58/19/778065819.db2.gz HSGKTZAUMCRRFE-VHSXEESVSA-N -1 1 282.340 2.562 20 0 CFADMM CCC[C@@H](C)[C@H](CC)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233763410 778070074 /nfs/dbraw/zinc/07/00/74/778070074.db2.gz XMWFUTRINOKRPF-ZJUUUORDSA-N -1 1 282.340 2.562 20 0 CFADMM COC(=O)c1cccc2[n-]c(O[C@@H]3C[C@@H]4CC[C@H]3C4)nc21 ZINC001234042926 778151189 /nfs/dbraw/zinc/15/11/89/778151189.db2.gz BQSXFIAVPWBIRX-GBIKHYSHSA-N -1 1 286.331 2.917 20 0 CFADMM COC(=O)c1cccc2nc(O[C@@H]3C[C@@H]4CC[C@H]3C4)[n-]c21 ZINC001234042926 778151190 /nfs/dbraw/zinc/15/11/90/778151190.db2.gz BQSXFIAVPWBIRX-GBIKHYSHSA-N -1 1 286.331 2.917 20 0 CFADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)C1CC1 ZINC001228560641 778155686 /nfs/dbraw/zinc/15/56/86/778155686.db2.gz RFHASKKJKWLKST-MRVPVSSYSA-N -1 1 250.294 2.868 20 0 CFADMM CCCCCC[C@H](CC)Oc1c(C(N)=O)nc(C)[n-]c1=O ZINC001234475569 778233900 /nfs/dbraw/zinc/23/39/00/778233900.db2.gz BXMOQBGRVKFKNW-NSHDSACASA-N -1 1 295.383 2.717 20 0 CFADMM CCOC(=O)[C@H](CC(C)C)Oc1nc2sccc2[n-]1 ZINC001234848507 778308454 /nfs/dbraw/zinc/30/84/54/778308454.db2.gz QJCNJNWBEDYTEF-JTQLQIEISA-N -1 1 282.365 2.981 20 0 CFADMM CSc1nc(Nc2ccc(OC(C)=O)cc2)cc(=O)[n-]1 ZINC001212068624 778339554 /nfs/dbraw/zinc/33/95/54/778339554.db2.gz PLNJJUMEPOZQCK-UHFFFAOYSA-N -1 1 291.332 2.573 20 0 CFADMM Cc1ccc(OCC(=O)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001142537957 778405234 /nfs/dbraw/zinc/40/52/34/778405234.db2.gz XMXQXBCUJLFGIP-UHFFFAOYSA-N -1 1 293.269 2.996 20 0 CFADMM O=C([O-])c1cc(Cl)ccc1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001142647238 778550732 /nfs/dbraw/zinc/55/07/32/778550732.db2.gz SRYWPYNVSYBSRS-YGRLFVJLSA-N -1 1 295.766 2.649 20 0 CFADMM CC(C)(C)c1nnc([N-]c2ccncc2Cl)o1 ZINC001212144283 778743616 /nfs/dbraw/zinc/74/36/16/778743616.db2.gz NECUVCZINKPLCO-UHFFFAOYSA-N -1 1 252.705 2.581 20 0 CFADMM [O-]c1cc(Nc2ccncc2Cl)cc(F)c1F ZINC001212157573 778771616 /nfs/dbraw/zinc/77/16/16/778771616.db2.gz SGWZGQUJIPKSSW-UHFFFAOYSA-N -1 1 256.639 2.884 20 0 CFADMM COC(=O)c1cc(-c2c(F)ccc(C)c2[O-])ncc1F ZINC001236389553 778799862 /nfs/dbraw/zinc/79/98/62/778799862.db2.gz AXPQGAAEGWMGOZ-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM Cc1ccc(F)c(-c2cc(-n3ccnc3)nc(C)n2)c1[O-] ZINC001236391710 778800233 /nfs/dbraw/zinc/80/02/33/778800233.db2.gz NVRWIICVARLGDL-UHFFFAOYSA-N -1 1 284.294 2.791 20 0 CFADMM COC(=O)c1cnc(-c2c(F)ccc(C)c2[O-])c(C)c1 ZINC001236393395 778800462 /nfs/dbraw/zinc/80/04/62/778800462.db2.gz TWBWHHNTMSTWJW-UHFFFAOYSA-N -1 1 275.279 2.997 20 0 CFADMM Cc1ccc(F)c(-c2cnc3cccnc3n2)c1[O-] ZINC001236394377 778801952 /nfs/dbraw/zinc/80/19/52/778801952.db2.gz XCRUWOOKMQDKQQ-UHFFFAOYSA-N -1 1 255.252 2.845 20 0 CFADMM O=c1cc(CSC2=NCCS2)c2ccc([O-])cc2o1 ZINC000059148981 778845925 /nfs/dbraw/zinc/84/59/25/778845925.db2.gz STMCWHWOMUTRHH-UHFFFAOYSA-N -1 1 293.369 2.835 20 0 CFADMM C[C@]1(CO)CC(F)(F)CN1Cc1cccc([O-])c1Cl ZINC001232784548 778977401 /nfs/dbraw/zinc/97/74/01/778977401.db2.gz OXBCOHYVRVVQRK-GFCCVEGCSA-N -1 1 291.725 2.638 20 0 CFADMM OC[C@H]1CCC[C@H](C(F)(F)F)N1Cc1occc1[S-] ZINC001237180154 779037424 /nfs/dbraw/zinc/03/74/24/779037424.db2.gz HTXRVVKWPBPHKR-LDYMZIIASA-N -1 1 295.326 2.846 20 0 CFADMM CCC[C@H](Oc1c(=O)[n-]cnc1C(=O)OC)[C@H](C)CC ZINC001233760760 779084269 /nfs/dbraw/zinc/08/42/69/779084269.db2.gz XEGMENLRRASBGX-ZJUUUORDSA-N -1 1 282.340 2.562 20 0 CFADMM [O-]c1c(CN2C[C@H]3[C@H](CF)[C@H]3C2)cc(Cl)nc1Cl ZINC001237539558 779128875 /nfs/dbraw/zinc/12/88/75/779128875.db2.gz QNISJIGFKWYBOT-PSVAKVPMSA-N -1 1 291.153 2.741 20 0 CFADMM [O-]c1c(F)cc(CN2CC[C@H]3OCC[C@H]3C2)cc1Cl ZINC001237993492 779223796 /nfs/dbraw/zinc/22/37/96/779223796.db2.gz QVKXBNLNDNUGFY-GXFFZTMASA-N -1 1 285.746 2.796 20 0 CFADMM Cc1cc(C(=O)[O-])ccc1CN1CC[C@](C)(F)[C@H](F)C1 ZINC001238142257 779260281 /nfs/dbraw/zinc/26/02/81/779260281.db2.gz QQNDZUIQUHQOIS-HIFRSBDPSA-N -1 1 283.318 2.965 20 0 CFADMM [O-]c1cc(F)c(CN2CCC3(COC3)CC2)cc1Cl ZINC001238143160 779260553 /nfs/dbraw/zinc/26/05/53/779260553.db2.gz KSKDHYHTOYXNMO-UHFFFAOYSA-N -1 1 285.746 2.797 20 0 CFADMM CN(C(=O)c1cc(Cl)ccc1[O-])C1(C#N)CCC1 ZINC000094054656 779342792 /nfs/dbraw/zinc/34/27/92/779342792.db2.gz XFBVTRBAYVALPL-UHFFFAOYSA-N -1 1 264.712 2.564 20 0 CFADMM Nc1cc(Nc2cc3ccc([O-])cc3oc2=O)ccc1F ZINC001212334743 779617328 /nfs/dbraw/zinc/61/73/28/779617328.db2.gz OMKOGLIGXXKLDZ-UHFFFAOYSA-N -1 1 286.262 2.964 20 0 CFADMM Cn1cc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c2ccccc21 ZINC001239545982 779619947 /nfs/dbraw/zinc/61/99/47/779619947.db2.gz KQHYOPULHWAIAT-UHFFFAOYSA-N -1 1 290.322 2.658 20 0 CFADMM CCOc1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc1 ZINC001239564840 779630826 /nfs/dbraw/zinc/63/08/26/779630826.db2.gz OZYMGUAXOMOQAJ-UHFFFAOYSA-N -1 1 281.311 2.565 20 0 CFADMM COC(=O)c1nc2cc(-c3cnc4[nH]ccc4c3)ccc2[n-]1 ZINC001240390920 780132746 /nfs/dbraw/zinc/13/27/46/780132746.db2.gz AICVDBDEPMOGRD-UHFFFAOYSA-N -1 1 292.298 2.844 20 0 CFADMM COC(=O)c1nc2ccc(-c3cnc4[nH]ccc4c3)cc2[n-]1 ZINC001240390920 780132752 /nfs/dbraw/zinc/13/27/52/780132752.db2.gz AICVDBDEPMOGRD-UHFFFAOYSA-N -1 1 292.298 2.844 20 0 CFADMM CCc1ccccc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001239744850 780136413 /nfs/dbraw/zinc/13/64/13/780136413.db2.gz GZGZHKSKHCBSDT-UHFFFAOYSA-N -1 1 262.245 2.719 20 0 CFADMM CCc1ccccc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001239744850 780136417 /nfs/dbraw/zinc/13/64/17/780136417.db2.gz GZGZHKSKHCBSDT-UHFFFAOYSA-N -1 1 262.245 2.719 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccc(F)cc3C)no2)[nH]n1 ZINC001212429187 780173486 /nfs/dbraw/zinc/17/34/86/780173486.db2.gz DJPZZXHQZPJOJI-UHFFFAOYSA-N -1 1 286.266 2.777 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccc(F)cc3C)no2)n[n-]1 ZINC001212429187 780173489 /nfs/dbraw/zinc/17/34/89/780173489.db2.gz DJPZZXHQZPJOJI-UHFFFAOYSA-N -1 1 286.266 2.777 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ccc(F)cc3C)no2)[n-]n1 ZINC001212429187 780173493 /nfs/dbraw/zinc/17/34/93/780173493.db2.gz DJPZZXHQZPJOJI-UHFFFAOYSA-N -1 1 286.266 2.777 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3cccc(Cl)c3)no2)[nH]n1 ZINC001212429549 780174356 /nfs/dbraw/zinc/17/43/56/780174356.db2.gz ISKVTEUUXKOFCS-UHFFFAOYSA-N -1 1 288.694 2.983 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3cccc(Cl)c3)no2)n[n-]1 ZINC001212429549 780174364 /nfs/dbraw/zinc/17/43/64/780174364.db2.gz ISKVTEUUXKOFCS-UHFFFAOYSA-N -1 1 288.694 2.983 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3cccc(Cl)c3)no2)[n-]n1 ZINC001212429549 780174369 /nfs/dbraw/zinc/17/43/69/780174369.db2.gz ISKVTEUUXKOFCS-UHFFFAOYSA-N -1 1 288.694 2.983 20 0 CFADMM Cc1sccc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001240503080 780209394 /nfs/dbraw/zinc/20/93/94/780209394.db2.gz DKEKASJUYGCTDU-UHFFFAOYSA-N -1 1 257.314 2.536 20 0 CFADMM CN(C)c1nccnc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482981 780339235 /nfs/dbraw/zinc/33/92/35/780339235.db2.gz XUICBNRWNVLBNH-UHFFFAOYSA-N -1 1 282.706 2.784 20 0 CFADMM Cc1cc2c(c(-c3cccc(C(F)F)c3)n1)C(=O)[N-]C2=O ZINC001240690993 780363193 /nfs/dbraw/zinc/36/31/93/780363193.db2.gz CPYFBXFGLNXZMW-UHFFFAOYSA-N -1 1 288.253 2.878 20 0 CFADMM COC(=O)c1ccnc(-c2cc(F)ccc2[O-])c1F ZINC001240693747 780364087 /nfs/dbraw/zinc/36/40/87/780364087.db2.gz XVPYKWLZHIMLKU-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM [O-]c1ccc(F)cc1-c1ccnc(N2CCCC2)n1 ZINC001240693473 780364502 /nfs/dbraw/zinc/36/45/02/780364502.db2.gz CJTPRXDWAHXNTK-UHFFFAOYSA-N -1 1 259.284 2.589 20 0 CFADMM COc1cnc(SC)nc1-c1cc(F)ccc1[O-] ZINC001240693894 780364542 /nfs/dbraw/zinc/36/45/42/780364542.db2.gz GNMZJTAPIHKYOK-UHFFFAOYSA-N -1 1 266.297 2.719 20 0 CFADMM COC(=O)c1ccc(C)c(-c2cc(F)ccc2[O-])n1 ZINC001240693137 780364905 /nfs/dbraw/zinc/36/49/05/780364905.db2.gz CTDHMEXHLLLQOR-UHFFFAOYSA-N -1 1 261.252 2.688 20 0 CFADMM [O-]c1ccc(F)cc1-c1cnc(OCc2cccnc2)cn1 ZINC001240697259 780369850 /nfs/dbraw/zinc/36/98/50/780369850.db2.gz BLDKFTXBLUHVCM-UHFFFAOYSA-N -1 1 297.289 2.962 20 0 CFADMM COC(=O)c1cccc2cnc(-c3ccc([O-])c(F)c3)nc21 ZINC001240783506 780436965 /nfs/dbraw/zinc/43/69/65/780436965.db2.gz VFTFWUCRCRIHMU-UHFFFAOYSA-N -1 1 298.273 2.928 20 0 CFADMM COC(=O)c1cnc(-c2ccc([O-])c(F)c2)c(F)c1 ZINC001240783666 780437020 /nfs/dbraw/zinc/43/70/20/780437020.db2.gz VPWQOUKGZYZNJV-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM COC(=O)c1cnc(-c2ccc([O-])c(F)c2)cc1F ZINC001240786428 780440277 /nfs/dbraw/zinc/44/02/77/780440277.db2.gz SFLCPYNIGYPXCG-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM O=C([O-])Cc1ccc(-c2cccc3nc[nH]c32)cc1 ZINC001240973306 780561771 /nfs/dbraw/zinc/56/17/71/780561771.db2.gz HAASRTOOIRRODL-UHFFFAOYSA-N -1 1 252.273 2.857 20 0 CFADMM O=C([O-])Cc1ccc(-c2cccn3cncc23)cc1 ZINC001240976547 780565548 /nfs/dbraw/zinc/56/55/48/780565548.db2.gz PUHNQKUQYDOQRS-UHFFFAOYSA-N -1 1 252.273 2.628 20 0 CFADMM O=C1Cc2cc(-c3cc(F)c(F)c(F)c3)ccc2C(=O)[N-]1 ZINC001240982346 780569636 /nfs/dbraw/zinc/56/96/36/780569636.db2.gz RBUSIMLXKQAUDF-UHFFFAOYSA-N -1 1 291.228 2.583 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccccc3O)cc2[n-]1 ZINC001241013517 780592126 /nfs/dbraw/zinc/59/21/26/780592126.db2.gz GSYOPTXMXYRVQQ-UHFFFAOYSA-N -1 1 268.272 2.722 20 0 CFADMM COC(=O)c1nc2cc(-c3ccccc3O)ccc2[n-]1 ZINC001241013517 780592131 /nfs/dbraw/zinc/59/21/31/780592131.db2.gz GSYOPTXMXYRVQQ-UHFFFAOYSA-N -1 1 268.272 2.722 20 0 CFADMM COc1cnc(-c2ccc(C)cc2[O-])nc1NC1CC1 ZINC001241028001 780602147 /nfs/dbraw/zinc/60/21/47/780602147.db2.gz HJCVZZUCFUTMTC-UHFFFAOYSA-N -1 1 271.320 2.741 20 0 CFADMM Cc1c[nH]c2ncnc(-c3c(F)cc([O-])cc3F)c12 ZINC001241117867 780646359 /nfs/dbraw/zinc/64/63/59/780646359.db2.gz VDONNQVCMSRPRZ-UHFFFAOYSA-N -1 1 261.231 2.869 20 0 CFADMM COC(=O)c1cc(F)c(C)nc1-c1c(F)cc([O-])cc1F ZINC001241118141 780646434 /nfs/dbraw/zinc/64/64/34/780646434.db2.gz JFGOIPJDSWGNGD-UHFFFAOYSA-N -1 1 297.232 2.967 20 0 CFADMM [O-]c1cc(F)c(-c2ccnc(N3CCCC3)n2)c(F)c1 ZINC001241118164 780646525 /nfs/dbraw/zinc/64/65/25/780646525.db2.gz KTQYTVXHXXRGMF-UHFFFAOYSA-N -1 1 277.274 2.728 20 0 CFADMM Cn1cnc2ccnc(-c3c(F)cc([O-])cc3F)c21 ZINC001241118221 780647369 /nfs/dbraw/zinc/64/73/69/780647369.db2.gz OHKDDUASFQSDOL-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM CCS(=O)(=O)c1ccnc(-c2c(F)cc([O-])cc2F)c1 ZINC001241120298 780648305 /nfs/dbraw/zinc/64/83/05/780648305.db2.gz ZAMFDJGFIQYSDW-UHFFFAOYSA-N -1 1 299.298 2.526 20 0 CFADMM COC(=O)c1cnc(-c2c(F)cc([O-])cc2F)cc1F ZINC001241120195 780648433 /nfs/dbraw/zinc/64/84/33/780648433.db2.gz VVBOYXTUFSFJTG-UHFFFAOYSA-N -1 1 283.205 2.658 20 0 CFADMM CN1C(=O)NCc2cc(-c3c(F)cc([O-])cc3F)ccc21 ZINC001241121226 780649377 /nfs/dbraw/zinc/64/93/77/780649377.db2.gz FBHSRBKJZSLEPW-UHFFFAOYSA-N -1 1 290.269 2.997 20 0 CFADMM O=c1ocnc2ccc(-c3c(F)cc([O-])cc3F)cc12 ZINC001241121015 780649479 /nfs/dbraw/zinc/64/94/79/780649479.db2.gz YKVZOMFYKLHGFR-UHFFFAOYSA-N -1 1 275.210 2.839 20 0 CFADMM CC(C)Cn1cc(-c2c(F)cc([O-])cc2F)ncc1=O ZINC001241121076 780649541 /nfs/dbraw/zinc/64/95/41/780649541.db2.gz ALURNCBJXBBVDL-UHFFFAOYSA-N -1 1 280.274 2.550 20 0 CFADMM [O-]c1cc(F)c(-c2ccc(-c3nn[nH]n3)cc2)c(F)c1 ZINC001241121039 780649704 /nfs/dbraw/zinc/64/97/04/780649704.db2.gz ZJZVZMMIFFBEEU-UHFFFAOYSA-N -1 1 274.230 2.518 20 0 CFADMM O=C1Cc2ccc(-c3c(F)cc([O-])cc3F)cc2CN1 ZINC001241120910 780649934 /nfs/dbraw/zinc/64/99/34/780649934.db2.gz RLXHXMQQCGZBNP-UHFFFAOYSA-N -1 1 275.254 2.510 20 0 CFADMM CCOC(=O)Cc1ncccc1-c1c(F)cc([O-])cc1F ZINC001241121041 780650025 /nfs/dbraw/zinc/65/00/25/780650025.db2.gz ZKIFCNPPSGLLOS-UHFFFAOYSA-N -1 1 293.269 2.838 20 0 CFADMM CCn1cc(-c2c(F)cc([O-])cc2F)ccc1=O ZINC001241120864 780650046 /nfs/dbraw/zinc/65/00/46/780650046.db2.gz PBJMCIXFHLGVII-UHFFFAOYSA-N -1 1 251.232 2.519 20 0 CFADMM CC(C)Cn1cc(-c2c(F)cc([O-])cc2F)cnc1=O ZINC001241121633 780650550 /nfs/dbraw/zinc/65/05/50/780650550.db2.gz OZOHORYTEBMRHE-UHFFFAOYSA-N -1 1 280.274 2.550 20 0 CFADMM O=S1(=O)Cc2cccc(-c3c(F)cc([O-])cc3F)c2C1 ZINC001241122334 780650663 /nfs/dbraw/zinc/65/06/63/780650663.db2.gz MFABNJAZAIIETK-UHFFFAOYSA-N -1 1 296.294 2.766 20 0 CFADMM CCOC(=O)c1cncc(-c2c(F)cc([O-])cc2F)c1 ZINC001241122010 780651064 /nfs/dbraw/zinc/65/10/64/780651064.db2.gz IHDURXIOYGASRT-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM COCOc1ccc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241124169 780651986 /nfs/dbraw/zinc/65/19/86/780651986.db2.gz CCWQUAHNLZBXFM-UHFFFAOYSA-N -1 1 267.231 2.715 20 0 CFADMM COC(=O)c1ccc(-c2c(F)cc([O-])cc2F)c(C)n1 ZINC001241122636 780652218 /nfs/dbraw/zinc/65/22/18/780652218.db2.gz JAYQKYFREGJTRG-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM [O-]c1cc(F)c(-c2cc(O[C@@H]3CCOC3)ccn2)c(F)c1 ZINC001241125517 780653271 /nfs/dbraw/zinc/65/32/71/780653271.db2.gz ZQEKQNXEZZFAJC-LLVKDONJSA-N -1 1 293.269 2.900 20 0 CFADMM CCOc1ccc(-c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC001241272511 780749306 /nfs/dbraw/zinc/74/93/06/780749306.db2.gz TWFXPQMRTHMPKO-UHFFFAOYSA-N -1 1 281.319 2.636 20 0 CFADMM CCOc1ccc(-c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC001241272511 780749308 /nfs/dbraw/zinc/74/93/08/780749308.db2.gz TWFXPQMRTHMPKO-UHFFFAOYSA-N -1 1 281.319 2.636 20 0 CFADMM COC(=O)c1ccc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241290203 780759126 /nfs/dbraw/zinc/75/91/26/780759126.db2.gz JCBUAZXJGFRQGD-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM COC(=O)c1ccc(-c2c(F)ccc([O-])c2F)nc1OC ZINC001241290120 780759476 /nfs/dbraw/zinc/75/94/76/780759476.db2.gz IFGWAOCYTRAKSR-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM CC(C)Oc1cncc(-c2c(F)ccc([O-])c2F)n1 ZINC001241289790 780760124 /nfs/dbraw/zinc/76/01/24/780760124.db2.gz DUHWPDGEQMLVTR-UHFFFAOYSA-N -1 1 266.247 2.915 20 0 CFADMM [O-]c1ccc(F)c(-c2cnc3cccnc3n2)c1F ZINC001241291156 780761762 /nfs/dbraw/zinc/76/17/62/780761762.db2.gz GPCUMFOPDGRFLV-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM Cc1cc2cnc(-c3c(F)ccc([O-])c3F)nc2[nH]1 ZINC001241291693 780761950 /nfs/dbraw/zinc/76/19/50/780761950.db2.gz RQOGCDHTPMIIKB-UHFFFAOYSA-N -1 1 261.231 2.869 20 0 CFADMM CCOC(=O)Cc1ccc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241291899 780763288 /nfs/dbraw/zinc/76/32/88/780763288.db2.gz WSLNWUUTPKPSPR-UHFFFAOYSA-N -1 1 293.269 2.838 20 0 CFADMM Cc1cc2c(c(-c3cc(Cl)ccc3F)n1)C(=O)[N-]C2=O ZINC001241329230 780783022 /nfs/dbraw/zinc/78/30/22/780783022.db2.gz ONYLYSQOSMOCCT-UHFFFAOYSA-N -1 1 290.681 2.733 20 0 CFADMM Cc1ccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1C(=O)[O-] ZINC000701823289 780844189 /nfs/dbraw/zinc/84/41/89/780844189.db2.gz OFSQJLKHSGJDPH-LBPRGKRZSA-N -1 1 277.364 2.693 20 0 CFADMM Cc1ccc(CN2C[C@H](C)OC(C)(C)C2)cc1C(=O)[O-] ZINC000701823289 780844199 /nfs/dbraw/zinc/84/41/99/780844199.db2.gz OFSQJLKHSGJDPH-LBPRGKRZSA-N -1 1 277.364 2.693 20 0 CFADMM CCOC(=O)c1c[nH]c(NC(=O)C=C(C)c2ccccc2)n1 ZINC001128946007 780960617 /nfs/dbraw/zinc/96/06/17/780960617.db2.gz GGPUHNZTHNWSCZ-LUAWRHEFSA-N -1 1 299.330 2.628 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)C=C(C)c2ccccc2)n1 ZINC001128946007 780960620 /nfs/dbraw/zinc/96/06/20/780960620.db2.gz GGPUHNZTHNWSCZ-LUAWRHEFSA-N -1 1 299.330 2.628 20 0 CFADMM Cc1[nH]nc2ccc(-c3ccc(S(=O)(=O)[O-])cc3)cc12 ZINC001241670725 781063042 /nfs/dbraw/zinc/06/30/42/781063042.db2.gz MSXKDNIRLWLJQN-UHFFFAOYSA-N -1 1 288.328 2.785 20 0 CFADMM COc1cc(-c2ccc(-c3nnn[n-]3)nc2)ccc1Cl ZINC001241734941 781103254 /nfs/dbraw/zinc/10/32/54/781103254.db2.gz YAKVMQDGCCEUKJ-UHFFFAOYSA-N -1 1 287.710 2.591 20 0 CFADMM COc1cc(-c2ccc(-c3nn[n-]n3)nc2)ccc1Cl ZINC001241734941 781103258 /nfs/dbraw/zinc/10/32/58/781103258.db2.gz YAKVMQDGCCEUKJ-UHFFFAOYSA-N -1 1 287.710 2.591 20 0 CFADMM O=C([O-])c1cc(F)cc(-c2ccc3cncn3c2)c1 ZINC001241827217 781146124 /nfs/dbraw/zinc/14/61/24/781146124.db2.gz CTGWADGZMQKSNL-UHFFFAOYSA-N -1 1 256.236 2.839 20 0 CFADMM COc1ccc(-c2cccc3nc[nH]c32)cc1C(=O)[O-] ZINC001241864703 781157313 /nfs/dbraw/zinc/15/73/13/781157313.db2.gz BUAMNENSSMMWAK-UHFFFAOYSA-N -1 1 268.272 2.937 20 0 CFADMM C=Cc1ccccc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001242015551 781232750 /nfs/dbraw/zinc/23/27/50/781232750.db2.gz OVHIUYFQENKDGN-UHFFFAOYSA-N -1 1 263.296 2.809 20 0 CFADMM CCOC(=O)c1nc2cc(-c3ccc(=O)[nH]c3)ccc2[n-]1 ZINC001242066222 781258775 /nfs/dbraw/zinc/25/87/75/781258775.db2.gz GGOOFQFTGBPYCW-UHFFFAOYSA-N -1 1 283.287 2.507 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3ccc(=O)[nH]c3)cc2[n-]1 ZINC001242066222 781258778 /nfs/dbraw/zinc/25/87/78/781258778.db2.gz GGOOFQFTGBPYCW-UHFFFAOYSA-N -1 1 283.287 2.507 20 0 CFADMM CCOC(=O)c1nc2cc(-c3ccc(NC)nc3)ccc2[n-]1 ZINC001242070829 781263530 /nfs/dbraw/zinc/26/35/30/781263530.db2.gz CZHLWIBAAHKEMQ-UHFFFAOYSA-N -1 1 296.330 2.843 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3ccc(NC)nc3)cc2[n-]1 ZINC001242070829 781263537 /nfs/dbraw/zinc/26/35/37/781263537.db2.gz CZHLWIBAAHKEMQ-UHFFFAOYSA-N -1 1 296.330 2.843 20 0 CFADMM CN(C)c1cc(-c2cc(C(F)(F)F)ccc2[O-])ncn1 ZINC001242127351 781294613 /nfs/dbraw/zinc/29/46/13/781294613.db2.gz YAJGSOPACKNTBH-UHFFFAOYSA-N -1 1 283.253 2.934 20 0 CFADMM [O-]c1ccc(C(F)(F)F)cc1-c1ncnc2c1COC2 ZINC001242133397 781296052 /nfs/dbraw/zinc/29/60/52/781296052.db2.gz FRXJOMGPCFNYIZ-UHFFFAOYSA-N -1 1 282.221 2.898 20 0 CFADMM O=C([O-])Cc1cccc(-c2cccc3nc[nH]c32)c1 ZINC001242264149 781349327 /nfs/dbraw/zinc/34/93/27/781349327.db2.gz WQDYFNULVAMISW-UHFFFAOYSA-N -1 1 252.273 2.857 20 0 CFADMM CCOc1nc(-c2cccc(C)c2[O-])ncc1OC ZINC001242344137 781416414 /nfs/dbraw/zinc/41/64/14/781416414.db2.gz CCJNCKZBAWCFLH-UHFFFAOYSA-N -1 1 260.293 2.565 20 0 CFADMM CS(=O)(=O)c1ccc(-c2cccc(F)c2[O-])c(F)c1 ZINC001242352330 781424687 /nfs/dbraw/zinc/42/46/87/781424687.db2.gz SGNYDXKCMJUDML-UHFFFAOYSA-N -1 1 284.283 2.741 20 0 CFADMM Cc1nc(-c2cccc(Cl)c2[O-])nc2nc[nH]c21 ZINC001242362907 781436358 /nfs/dbraw/zinc/43/63/58/781436358.db2.gz QIXMKWVWDJCQMT-UHFFFAOYSA-N -1 1 260.684 2.639 20 0 CFADMM O=C1Cc2cc(-c3cccc(Cl)c3[O-])cnc2N1 ZINC001242364817 781437407 /nfs/dbraw/zinc/43/74/07/781437407.db2.gz QNPNAIBPZVLEGJ-UHFFFAOYSA-N -1 1 260.680 2.602 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](CF)C1 ZINC000711472608 781438199 /nfs/dbraw/zinc/43/81/99/781438199.db2.gz VATCUGNOFQJUIV-NSHDSACASA-N -1 1 273.307 2.977 20 0 CFADMM CCNC(=O)c1cncc(-c2cccc(Cl)c2[O-])c1 ZINC001242366351 781438836 /nfs/dbraw/zinc/43/88/36/781438836.db2.gz KNZGSMHXGKKAFP-UHFFFAOYSA-N -1 1 276.723 2.857 20 0 CFADMM Cc1cc(-c2cccc(Cl)c2[O-])cnc1S(C)(=O)=O ZINC001242368052 781440535 /nfs/dbraw/zinc/44/05/35/781440535.db2.gz WITQTMYKGUENMV-UHFFFAOYSA-N -1 1 297.763 2.820 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc(C(C)=O)nc3)cc2[n-]1 ZINC001242400732 781466327 /nfs/dbraw/zinc/46/63/27/781466327.db2.gz TZVWWOLFHFFMFN-UHFFFAOYSA-N -1 1 295.298 2.614 20 0 CFADMM COC(=O)c1nc2cc(-c3ccc(C(C)=O)nc3)ccc2[n-]1 ZINC001242400732 781466330 /nfs/dbraw/zinc/46/63/30/781466330.db2.gz TZVWWOLFHFFMFN-UHFFFAOYSA-N -1 1 295.298 2.614 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccn(C(C)C)n3)cc2[n-]1 ZINC001242455120 781511280 /nfs/dbraw/zinc/51/12/80/781511280.db2.gz WLONSYQKAVWDOD-UHFFFAOYSA-N -1 1 284.319 2.794 20 0 CFADMM CCc1ncccc1-c1ccc2[n-]c(C(=O)OC)nc2c1 ZINC001242523486 781564048 /nfs/dbraw/zinc/56/40/48/781564048.db2.gz MHCOZOJMEASMNP-UHFFFAOYSA-N -1 1 281.315 2.974 20 0 CFADMM CCc1ncccc1-c1ccc2nc(C(=O)OC)[n-]c2c1 ZINC001242523486 781564051 /nfs/dbraw/zinc/56/40/51/781564051.db2.gz MHCOZOJMEASMNP-UHFFFAOYSA-N -1 1 281.315 2.974 20 0 CFADMM CC(C)(C)c1csc(CN[C@H]2C=C[C@@H](C(=O)[O-])C2)n1 ZINC001118980073 781736139 /nfs/dbraw/zinc/73/61/39/781736139.db2.gz VAFFJGBDQWXFMH-ZJUUUORDSA-N -1 1 280.393 2.560 20 0 CFADMM O=C1Cc2ccc(-c3cccc([O-])c3Cl)nc2N1 ZINC001242798695 781764744 /nfs/dbraw/zinc/76/47/44/781764744.db2.gz VUQVRHKMBAMFRS-UHFFFAOYSA-N -1 1 260.680 2.602 20 0 CFADMM Cn1cc(-c2cccc([O-])c2Cl)cc(F)c1=O ZINC001242801988 781767749 /nfs/dbraw/zinc/76/77/49/781767749.db2.gz KWPQVSCPHHEVRQ-UHFFFAOYSA-N -1 1 253.660 2.550 20 0 CFADMM COC(=O)c1cnccc1-c1cccc([O-])c1Cl ZINC001242802059 781767914 /nfs/dbraw/zinc/76/79/14/781767914.db2.gz OTBPCDNPFOSAOM-UHFFFAOYSA-N -1 1 263.680 2.894 20 0 CFADMM O=C1Cc2cc(-c3cccc([O-])c3Cl)ccc2CN1 ZINC001242802025 781767925 /nfs/dbraw/zinc/76/79/25/781767925.db2.gz MXSYBBFDKUWPAW-UHFFFAOYSA-N -1 1 273.719 2.885 20 0 CFADMM COC(=O)c1nc(OC)ccc1-c1cccc([O-])c1Cl ZINC001242802528 781767954 /nfs/dbraw/zinc/76/79/54/781767954.db2.gz KISQNLOYBULTBK-UHFFFAOYSA-N -1 1 293.706 2.903 20 0 CFADMM COC(=O)c1cc2ccc(-c3ccccc3C(=O)[O-])[nH]c-2n1 ZINC001242879488 781819086 /nfs/dbraw/zinc/81/90/86/781819086.db2.gz SNBJQZZQDADFQK-UHFFFAOYSA-N -1 1 296.282 2.715 20 0 CFADMM COc1c(C(=O)[O-])cccc1-c1cccn2cncc12 ZINC001242925166 781847349 /nfs/dbraw/zinc/84/73/49/781847349.db2.gz WZFDXPYBFSLZHB-UHFFFAOYSA-N -1 1 268.272 2.708 20 0 CFADMM CSc1ccccc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001242946170 781863515 /nfs/dbraw/zinc/86/35/15/781863515.db2.gz ITOIIFVRTXSEFC-UHFFFAOYSA-N -1 1 283.352 2.888 20 0 CFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000068074799 346834103 /nfs/dbraw/zinc/83/41/03/346834103.db2.gz ZFSFGEYBIGNDTE-UHFFFAOYSA-N -1 1 289.356 2.826 20 0 CFADMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000068074798 346834261 /nfs/dbraw/zinc/83/42/61/346834261.db2.gz PRBOFFLALXGJOP-UHFFFAOYSA-N -1 1 289.356 2.826 20 0 CFADMM CCc1ccc(C(=O)Nc2ncc(C(C)=O)s2)c([O-])c1 ZINC000191687419 529611245 /nfs/dbraw/zinc/61/12/45/529611245.db2.gz XDPNURGHBZZKFC-UHFFFAOYSA-N -1 1 290.344 2.866 20 0 CFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c1 ZINC000126166914 187222049 /nfs/dbraw/zinc/22/20/49/187222049.db2.gz NAOSDZCVFRFJGJ-UHFFFAOYSA-N -1 1 293.392 2.951 20 0 CFADMM CCc1cnccc1[C@H](C)NC(=O)c1ncc(C)cc1[O-] ZINC000428021397 529681462 /nfs/dbraw/zinc/68/14/62/529681462.db2.gz FNZHPDSLLNLQIC-NSHDSACASA-N -1 1 285.347 2.544 20 0 CFADMM CCc1nc(CNCc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000426639469 529740199 /nfs/dbraw/zinc/74/01/99/529740199.db2.gz WMACZUIACSPFDJ-UHFFFAOYSA-N -1 1 288.322 2.771 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1ccc2nccnc2c1 ZINC000092122142 539333806 /nfs/dbraw/zinc/33/38/06/539333806.db2.gz JVQHREYSAKHIRT-UHFFFAOYSA-N -1 1 283.262 2.727 20 0 CFADMM CN(CC1(c2ccccc2)CC1)C(=O)c1ncccc1[O-] ZINC000186758745 529859287 /nfs/dbraw/zinc/85/92/87/529859287.db2.gz FEFZYMUBYIXIOV-UHFFFAOYSA-N -1 1 282.343 2.591 20 0 CFADMM COc1ccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c(O)c1 ZINC000443564322 539381266 /nfs/dbraw/zinc/38/12/66/539381266.db2.gz ZUHWNYPPRSWUOZ-UTUOFQBUSA-N -1 1 292.379 2.601 20 0 CFADMM C[C@H]1CN(Cc2nc(C(C)(C)C)cs2)CC[C@H]1C(=O)[O-] ZINC000394400403 539440076 /nfs/dbraw/zinc/44/00/76/539440076.db2.gz HTGFDLGANHMKHP-WDEREUQCSA-N -1 1 296.436 2.983 20 0 CFADMM O=C(Nc1cccc(-c2nnco2)c1)c1cc(F)ccc1[O-] ZINC000175203430 232308412 /nfs/dbraw/zinc/30/84/12/232308412.db2.gz FOFYFLFSTSYVFQ-UHFFFAOYSA-N -1 1 299.261 2.834 20 0 CFADMM O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1[O-] ZINC000031135674 346292745 /nfs/dbraw/zinc/29/27/45/346292745.db2.gz XSHUYBQWPDZCAB-UHFFFAOYSA-N -1 1 296.326 2.993 20 0 CFADMM CCC[C@@H](C)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000075810562 347100756 /nfs/dbraw/zinc/10/07/56/347100756.db2.gz IRTHWZDHLOVFEE-SNVBAGLBSA-N -1 1 273.336 2.596 20 0 CFADMM CC(C)c1nc(CN2CC[C@](C)(C(=O)[O-])C2)cs1 ZINC000062935164 346694643 /nfs/dbraw/zinc/69/46/43/346694643.db2.gz DZFCASQWZDQPEQ-ZDUSSCGKSA-N -1 1 268.382 2.563 20 0 CFADMM O=C([O-])C[C@@H]1CN(Cc2cccc3ccccc32)CCO1 ZINC000091297407 347581164 /nfs/dbraw/zinc/58/11/64/347581164.db2.gz XXPBXIJQEKTCHD-OAHLLOKOSA-N -1 1 285.343 2.515 20 0 CFADMM CC(C)(O)[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000092929755 347652214 /nfs/dbraw/zinc/65/22/14/347652214.db2.gz YDFBRRSDRTXCHV-INIZCTEOSA-N -1 1 299.370 2.921 20 0 CFADMM CCOc1ccc([C@H](C)NC(=O)c2cncc([O-])c2)cc1 ZINC000109042792 347744784 /nfs/dbraw/zinc/74/47/84/347744784.db2.gz AQHDUPPXPMIJRR-NSHDSACASA-N -1 1 286.331 2.677 20 0 CFADMM COc1ccc(C(=O)N2CCc3c2cccc3C)c([O-])c1 ZINC000125840635 347830569 /nfs/dbraw/zinc/83/05/69/347830569.db2.gz WEMUKBOVCLDPOA-UHFFFAOYSA-N -1 1 283.327 2.912 20 0 CFADMM O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cncc([O-])c1 ZINC000131685923 347880369 /nfs/dbraw/zinc/88/03/69/347880369.db2.gz XLIUNTOESKPIOI-RHSMWYFYSA-N -1 1 296.370 2.928 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]2CCC[C@@H]21 ZINC000128677878 187382996 /nfs/dbraw/zinc/38/29/96/187382996.db2.gz IWWRHNJKZOOQGZ-GWCFXTLKSA-N -1 1 263.312 2.936 20 0 CFADMM O=C([O-])[C@H]1CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000086789723 179335295 /nfs/dbraw/zinc/33/52/95/179335295.db2.gz WZIDRAXUPWFDQZ-VIFPVBQESA-N -1 1 274.147 2.900 20 0 CFADMM Cc1ccc(F)c(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1 ZINC000171392477 348075896 /nfs/dbraw/zinc/07/58/96/348075896.db2.gz GBQNBDAOSTYZPT-UHFFFAOYSA-N -1 1 297.293 2.567 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2ncccc2F)c(C)c1 ZINC000180261998 348122754 /nfs/dbraw/zinc/12/27/54/348122754.db2.gz QJHJMTSWKAPRNP-UHFFFAOYSA-N -1 1 280.324 2.638 20 0 CFADMM CC(=O)Nc1ccc([O-])c(-c2nc(CCC(C)C)no2)c1 ZINC000273413467 192142516 /nfs/dbraw/zinc/14/25/16/192142516.db2.gz NDKNEQFKHYVCSS-UHFFFAOYSA-N -1 1 289.335 2.989 20 0 CFADMM C[C@@H]1C[N@H+](Cc2cccc([O-])c2Cl)CC[C@H]1C(=O)[O-] ZINC000381067154 348526391 /nfs/dbraw/zinc/52/63/91/348526391.db2.gz PGZBNOMBXLGTFN-MWLCHTKSSA-N -1 1 283.755 2.588 20 0 CFADMM C[C@@H]1C[N@@H+](Cc2cccc([O-])c2Cl)CC[C@H]1C(=O)[O-] ZINC000381067154 348526393 /nfs/dbraw/zinc/52/63/93/348526393.db2.gz PGZBNOMBXLGTFN-MWLCHTKSSA-N -1 1 283.755 2.588 20 0 CFADMM O=C([O-])C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000385666963 348534643 /nfs/dbraw/zinc/53/46/43/348534643.db2.gz HZQJFVVFOZIQSX-LLVKDONJSA-N -1 1 296.298 2.563 20 0 CFADMM [O-]c1ccc(-c2nc(Cc3cccnc3)no2)c(F)c1 ZINC000230228776 539654843 /nfs/dbraw/zinc/65/48/43/539654843.db2.gz AEKNNGVLBMRCJW-UHFFFAOYSA-N -1 1 271.251 2.567 20 0 CFADMM COc1ccccc1NCC(=O)Nc1c([O-])cccc1F ZINC000092550482 539680391 /nfs/dbraw/zinc/68/03/91/539680391.db2.gz WUVCRKUBDZFLTP-UHFFFAOYSA-N -1 1 290.294 2.591 20 0 CFADMM O=C(Nc1c([O-])cccc1F)[C@H]1OCCc2ccccc21 ZINC000092551603 539680418 /nfs/dbraw/zinc/68/04/18/539680418.db2.gz KLMWMZSDXSBFKX-HNNXBMFYSA-N -1 1 287.290 2.784 20 0 CFADMM CCOC(=O)c1csc(=NCC(C)(C)C(F)(F)F)[n-]1 ZINC000590701128 348931070 /nfs/dbraw/zinc/93/10/70/348931070.db2.gz QHHUEYCXRWHGFL-UHFFFAOYSA-N -1 1 296.314 2.742 20 0 CFADMM CC[C@@H](CN=c1nc(C2CCCCC2)[n-]s1)C(=O)OC ZINC000591976171 349068673 /nfs/dbraw/zinc/06/86/73/349068673.db2.gz RQIFOWJDPQGSMF-JTQLQIEISA-N -1 1 297.424 2.619 20 0 CFADMM CCc1cccnc1[N-]S(=O)(=O)Cc1cccc(C)c1 ZINC000273968111 192383226 /nfs/dbraw/zinc/38/32/26/192383226.db2.gz QTYWMSPQINXTQS-UHFFFAOYSA-N -1 1 290.388 2.894 20 0 CFADMM CC(C)(C)n1nccc1NC(=O)c1ccccc1[O-] ZINC000593039755 349192592 /nfs/dbraw/zinc/19/25/92/349192592.db2.gz PBQHXNLWDLUOQF-UHFFFAOYSA-N -1 1 259.309 2.596 20 0 CFADMM O=C([N-]c1cnoc1)c1csc(-c2ccoc2)n1 ZINC000594478758 349427886 /nfs/dbraw/zinc/42/78/86/349427886.db2.gz FEFLZFFIDIGAHV-UHFFFAOYSA-N -1 1 261.262 2.643 20 0 CFADMM CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000599254342 350400683 /nfs/dbraw/zinc/40/06/83/350400683.db2.gz WGVUYCRJAJJQMX-NSHDSACASA-N -1 1 297.782 2.821 20 0 CFADMM CCOCCN(CC)C(=O)c1cc(Cl)ccc1[O-] ZINC000107062466 186157199 /nfs/dbraw/zinc/15/71/99/186157199.db2.gz OERNVVPJOJFSTN-UHFFFAOYSA-N -1 1 271.744 2.544 20 0 CFADMM CC1(C)C[C@@H](SCCC(=O)c2ccc([O-])cc2O)CO1 ZINC000600569814 350572830 /nfs/dbraw/zinc/57/28/30/350572830.db2.gz HUKPZCFXYOIQNR-LLVKDONJSA-N -1 1 296.388 2.971 20 0 CFADMM CC(C)(C)OC(=O)CCC(=O)Nc1cccc(F)c1[O-] ZINC000600444947 350556517 /nfs/dbraw/zinc/55/65/17/350556517.db2.gz KEXRRGDBYWXSPV-UHFFFAOYSA-N -1 1 283.299 2.592 20 0 CFADMM CCOC(=O)[C@@H](Sc1nc(CC)cc(=O)[n-]1)C(C)(C)C ZINC000600535695 350567161 /nfs/dbraw/zinc/56/71/61/350567161.db2.gz RCSPXJOGYUTCKU-LLVKDONJSA-N -1 1 298.408 2.815 20 0 CFADMM COc1cccc([C@@H]2CCCN2C(=O)c2cncc([O-])c2)c1 ZINC000109042361 186240686 /nfs/dbraw/zinc/24/06/86/186240686.db2.gz DGGXUVUXFAPQIS-INIZCTEOSA-N -1 1 298.342 2.773 20 0 CFADMM Cc1ccc([C@H](C)N(C)C(=O)c2cncc([O-])c2)cc1 ZINC000109042407 186241404 /nfs/dbraw/zinc/24/14/04/186241404.db2.gz YRIRUTNGNCIFSE-LBPRGKRZSA-N -1 1 270.332 2.929 20 0 CFADMM CSC[C@H](C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000600673718 350594835 /nfs/dbraw/zinc/59/48/35/350594835.db2.gz HFLUJZPWOCYDEB-JTQLQIEISA-N -1 1 291.376 2.516 20 0 CFADMM Cc1cc(Br)oc1C(=O)Nc1ccncc1[O-] ZINC000109889377 186277417 /nfs/dbraw/zinc/27/74/17/186277417.db2.gz TUUGDDDYNZGEQY-UHFFFAOYSA-N -1 1 297.108 2.703 20 0 CFADMM O=C(Nc1ccncc1[O-])c1cc2c(cccc2F)[nH]1 ZINC000109891249 186279026 /nfs/dbraw/zinc/27/90/26/186279026.db2.gz DRCPUZQZFADMRU-UHFFFAOYSA-N -1 1 271.251 2.660 20 0 CFADMM CC(C)(CCNC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000600968903 350639533 /nfs/dbraw/zinc/63/95/33/350639533.db2.gz MFKIILASDVQDMM-UHFFFAOYSA-N -1 1 284.359 2.885 20 0 CFADMM O=C(NC1(c2ccc(F)cc2)CCC1)c1cncc([O-])c1 ZINC000600978428 350640449 /nfs/dbraw/zinc/64/04/49/350640449.db2.gz HWLXEJYHOBEWNH-UHFFFAOYSA-N -1 1 286.306 2.736 20 0 CFADMM O=C([N-]c1cnoc1)c1ncoc1-c1ccccc1 ZINC000601446549 350733087 /nfs/dbraw/zinc/73/30/87/350733087.db2.gz XJQLIADTMBRSGX-UHFFFAOYSA-N -1 1 255.233 2.582 20 0 CFADMM CSC1(CNC(=O)Cc2ccc([O-])c(Cl)c2)CCC1 ZINC000601536944 350737495 /nfs/dbraw/zinc/73/74/95/350737495.db2.gz QTFXNOUUOROVTG-UHFFFAOYSA-N -1 1 299.823 2.990 20 0 CFADMM CCCc1c(C)[n-]n(-c2ccc(C(=O)OC)cc2F)c1=O ZINC000601949094 350816165 /nfs/dbraw/zinc/81/61/65/350816165.db2.gz QCJKWVZWGIYKHG-NSHDSACASA-N -1 1 292.310 2.751 20 0 CFADMM CCCc1c(C)[n-]n(-c2ccc(C(=O)OC)c(F)c2)c1=O ZINC000601950191 350816879 /nfs/dbraw/zinc/81/68/79/350816879.db2.gz XLHRJJYVODCWNU-LLVKDONJSA-N -1 1 292.310 2.751 20 0 CFADMM COC(=O)c1cc(-n2[n-]c3c(c2=O)[C@@H](C)CC3)ccc1C ZINC000601949896 350817033 /nfs/dbraw/zinc/81/70/33/350817033.db2.gz LQWWGDKWWGSFGY-HZMBPMFUSA-N -1 1 286.331 2.530 20 0 CFADMM CC[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1[O-])N(C)C ZINC000271427056 191130725 /nfs/dbraw/zinc/13/07/25/191130725.db2.gz ZSWBCCWBFXSNLB-JTQLQIEISA-N -1 1 291.178 2.978 20 0 CFADMM Fc1cc(CNC2(c3nnn[n-]3)CCCC2)ccc1Cl ZINC000605075636 351237156 /nfs/dbraw/zinc/23/71/56/351237156.db2.gz SAUFTJLRVWTBOQ-UHFFFAOYSA-N -1 1 295.749 2.551 20 0 CFADMM O=C(Cc1ccc2c(c1)CCO2)Nc1c([O-])cccc1F ZINC000605440125 351246586 /nfs/dbraw/zinc/24/65/86/351246586.db2.gz KUDYUITYOXLGFO-UHFFFAOYSA-N -1 1 287.290 2.647 20 0 CFADMM O=C(CN1CCc2ccccc21)Nc1c([O-])cccc1F ZINC000605439444 351246729 /nfs/dbraw/zinc/24/67/29/351246729.db2.gz WUEYFVLQBUKTEH-UHFFFAOYSA-N -1 1 286.306 2.533 20 0 CFADMM CCc1cc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)no1 ZINC000606889242 351299183 /nfs/dbraw/zinc/29/91/83/351299183.db2.gz PZKIYZNTUPCBRB-UHFFFAOYSA-N -1 1 297.314 2.875 20 0 CFADMM CC(C)c1cc(C(=O)Nc2c([O-])cccc2F)on1 ZINC000608367536 351427114 /nfs/dbraw/zinc/42/71/14/351427114.db2.gz VKUDTJNANHAFGM-UHFFFAOYSA-N -1 1 264.256 2.895 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1ccc2[nH]cnc2c1 ZINC000608365905 351426053 /nfs/dbraw/zinc/42/60/53/351426053.db2.gz LSVHEBCHXFFKMA-UHFFFAOYSA-N -1 1 271.251 2.660 20 0 CFADMM Cc1cc(C)n([C@@H](C)CC(=O)Nc2c([O-])cccc2F)n1 ZINC000608365204 351426295 /nfs/dbraw/zinc/42/62/95/351426295.db2.gz BLVYFKVDTMVTJZ-NSHDSACASA-N -1 1 291.326 2.934 20 0 CFADMM CCOC(=O)c1nc(C)[nH]c1NC(=O)c1ccc(C)s1 ZINC000610108823 351534852 /nfs/dbraw/zinc/53/48/52/351534852.db2.gz OGVYVKCQHGAPJZ-UHFFFAOYSA-N -1 1 293.348 2.517 20 0 CFADMM C[C@@H](C(=O)[N-]OC/C=C/Cl)c1cccc(F)c1 ZINC000291429411 198019627 /nfs/dbraw/zinc/01/96/27/198019627.db2.gz AEEGCTUHMJQWJE-BSPAPZMXSA-N -1 1 257.692 2.730 20 0 CFADMM C[C@@H](CC(=O)Nc1ccc(F)cc1[O-])[C@@H]1CCCO1 ZINC000613029249 351891598 /nfs/dbraw/zinc/89/15/98/351891598.db2.gz XYYWPTUGNHICTN-ZANVPECISA-N -1 1 267.300 2.675 20 0 CFADMM C[S@@](=O)c1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000613807351 352011183 /nfs/dbraw/zinc/01/11/83/352011183.db2.gz UKUIGCFQVFBURH-HXUWFJFHSA-N -1 1 293.319 2.521 20 0 CFADMM CC1=CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000614379752 352087418 /nfs/dbraw/zinc/08/74/18/352087418.db2.gz VRLBKABLFPJGDS-UHFFFAOYSA-N -1 1 268.316 2.733 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000615220452 352169125 /nfs/dbraw/zinc/16/91/25/352169125.db2.gz GGNJYYKUGNTPPT-JTQLQIEISA-N -1 1 291.738 2.746 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](C)CCC(C)(C)C ZINC000615222787 352169536 /nfs/dbraw/zinc/16/95/36/352169536.db2.gz VQSPYUGTZSJDIE-MRVPVSSYSA-N -1 1 253.346 2.825 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C1CCC(C2CC2)CC1 ZINC000615225788 352169543 /nfs/dbraw/zinc/16/95/43/352169543.db2.gz GJWVBFKRBALDNS-UHFFFAOYSA-N -1 1 263.341 2.579 20 0 CFADMM Cc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)c(C(F)(F)F)o1 ZINC000615222128 352169909 /nfs/dbraw/zinc/16/99/09/352169909.db2.gz PZYLNEPRTGXDTJ-UHFFFAOYSA-N -1 1 289.213 2.596 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000615225779 352169949 /nfs/dbraw/zinc/16/99/49/352169949.db2.gz GEHBTINUHYEHGM-SNVBAGLBSA-N -1 1 289.360 2.642 20 0 CFADMM CC[C@H](C)CCCCC(=O)Nc1c(C)[n-][nH]c1=O ZINC000615223104 352170110 /nfs/dbraw/zinc/17/01/10/352170110.db2.gz YRRATAJOVOCQKV-VIFPVBQESA-N -1 1 253.346 2.969 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(C)ccc1C1CC1 ZINC000615229932 352170407 /nfs/dbraw/zinc/17/04/07/352170407.db2.gz YDMBMKDUSCJJIJ-UHFFFAOYSA-N -1 1 271.320 2.862 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000615229029 352170472 /nfs/dbraw/zinc/17/04/72/352170472.db2.gz NMSKKIRQULZPDL-PRHODGIISA-N -1 1 285.294 2.578 20 0 CFADMM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cncc([O-])c1 ZINC000271477967 191163036 /nfs/dbraw/zinc/16/30/36/191163036.db2.gz ZZWUHTCRYVZFCU-BXUZGUMPSA-N -1 1 262.353 2.828 20 0 CFADMM C[C@H]1C[C@H](NC(=O)c2ncc3ccccc3c2[O-])CS1 ZINC000616270795 352318132 /nfs/dbraw/zinc/31/81/32/352318132.db2.gz JANDVFQJQPFYQL-ONGXEEELSA-N -1 1 288.372 2.564 20 0 CFADMM CCOC1(C(=O)Nc2ccc([O-])c(F)c2F)CCC1 ZINC000616100157 352283779 /nfs/dbraw/zinc/28/37/79/352283779.db2.gz HNMWCGGBPUQILW-UHFFFAOYSA-N -1 1 271.263 2.568 20 0 CFADMM CC(C)(C)c1cc(NC(=O)c2cc(F)ccc2[O-])n[nH]1 ZINC000134949396 539843641 /nfs/dbraw/zinc/84/36/41/539843641.db2.gz SUQIKCKXFPGZEX-UHFFFAOYSA-N -1 1 277.299 2.804 20 0 CFADMM COC1CC(CCNC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000617025581 352470103 /nfs/dbraw/zinc/47/01/03/352470103.db2.gz OFQOQQYBTYMUJN-UHFFFAOYSA-N -1 1 283.755 2.591 20 0 CFADMM C[C@@]1(C2CC2)CN(C(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000617402281 352558846 /nfs/dbraw/zinc/55/88/46/352558846.db2.gz FPOOZMQVKPCXFK-HNNXBMFYSA-N -1 1 295.766 2.687 20 0 CFADMM CC(C)(C)c1nnc(C(=O)Nc2c([O-])cccc2F)s1 ZINC000618032847 352701705 /nfs/dbraw/zinc/70/17/05/352701705.db2.gz VHZQSFTYKMRDFK-UHFFFAOYSA-N -1 1 295.339 2.933 20 0 CFADMM CCC1(CC)CCCN(C(=O)c2ncccc2[O-])C1 ZINC000618670062 352856198 /nfs/dbraw/zinc/85/61/98/352856198.db2.gz UKTUNSRHWSNWMM-UHFFFAOYSA-N -1 1 262.353 2.830 20 0 CFADMM C[C@@]12COC[C@@H]1CN(C(=O)c1ccc3ccccc3c1[O-])C2 ZINC000618720432 352870369 /nfs/dbraw/zinc/87/03/69/352870369.db2.gz HBWWKQGSZZZQNX-SCLBCKFNSA-N -1 1 297.354 2.654 20 0 CFADMM C[C@@]1(CNC(=O)c2cc(Cl)ccc2[O-])CC1(F)F ZINC000618603098 352831857 /nfs/dbraw/zinc/83/18/57/352831857.db2.gz JQDWLWIXYKJJRV-NSHDSACASA-N -1 1 275.682 2.821 20 0 CFADMM C[C@]1(CCNC(=O)c2c([O-])cccc2F)CC1(F)F ZINC000618635364 352847109 /nfs/dbraw/zinc/84/71/09/352847109.db2.gz XOSUEVSWEWXISX-LBPRGKRZSA-N -1 1 273.254 2.697 20 0 CFADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@@H]2C[C@@H]2C1 ZINC000619345636 352998100 /nfs/dbraw/zinc/99/81/00/352998100.db2.gz FBBYQVFPRFERMW-RKDXNWHRSA-N -1 1 296.164 2.637 20 0 CFADMM CC(C)n1ccc([N-]S(=O)(=O)C2=CCCCC2)n1 ZINC000295162259 199380359 /nfs/dbraw/zinc/38/03/59/199380359.db2.gz DSQKAITWRIKUPF-UHFFFAOYSA-N -1 1 269.370 2.664 20 0 CFADMM CC(NC(=O)c1c([O-])cccc1F)(C1CC1)C1CC1 ZINC000620025232 353097865 /nfs/dbraw/zinc/09/78/65/353097865.db2.gz KTCRRPRYHVANSV-UHFFFAOYSA-N -1 1 263.312 2.840 20 0 CFADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])C1CCOCC1 ZINC000152344310 188011836 /nfs/dbraw/zinc/01/18/36/188011836.db2.gz GOTIBXOUDQQOAB-VIFPVBQESA-N -1 1 283.755 2.591 20 0 CFADMM C[C@H](CNC(=O)C(=O)c1ccc([O-])cc1)C1CCCCC1 ZINC000620368211 353158048 /nfs/dbraw/zinc/15/80/48/353158048.db2.gz IFGWBNSWLNZPLV-GFCCVEGCSA-N -1 1 289.375 2.908 20 0 CFADMM CC1CCC(N(C(=O)c2ncccc2[O-])C2CC2)CC1 ZINC000153682753 188096857 /nfs/dbraw/zinc/09/68/57/188096857.db2.gz FBXDAKVCHODBHA-UHFFFAOYSA-N -1 1 274.364 2.971 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCCC[C@@H]1CC1CCC1 ZINC000620567282 353188353 /nfs/dbraw/zinc/18/83/53/353188353.db2.gz BVGBIMRXRSCVBW-CQSZACIVSA-N -1 1 274.364 2.972 20 0 CFADMM O=S(=O)(CC1CCC1)[N-][C@@H](C(F)F)C1CCCCC1 ZINC000621322689 353322998 /nfs/dbraw/zinc/32/29/98/353322998.db2.gz CYHZBRNNOZJYIQ-GFCCVEGCSA-N -1 1 295.395 2.920 20 0 CFADMM O=S(=O)(CCC1CC1)[N-][C@H](C(F)F)C1CCCCC1 ZINC000621322719 353323209 /nfs/dbraw/zinc/32/32/09/353323209.db2.gz FNLDKMAHEWJWBX-LBPRGKRZSA-N -1 1 295.395 2.920 20 0 CFADMM Cc1cc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)ccn1 ZINC000621773744 353421907 /nfs/dbraw/zinc/42/19/07/353421907.db2.gz ATEHPULPIGICNN-INIZCTEOSA-N -1 1 282.343 2.574 20 0 CFADMM C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C[C@H]1CO ZINC000622235485 353506639 /nfs/dbraw/zinc/50/66/39/353506639.db2.gz KUQMHTLKLPHTQI-DOMZBBRYSA-N -1 1 299.370 2.636 20 0 CFADMM CC(C)Oc1ccc(NC(=O)c2cc(F)ccc2[O-])cn1 ZINC000622321335 353520328 /nfs/dbraw/zinc/52/03/28/353520328.db2.gz ZKGXPFKJTBYPOG-UHFFFAOYSA-N -1 1 290.294 2.966 20 0 CFADMM Cc1nnc(C(=O)[N-]c2cc(F)c(F)cc2F)s1 ZINC000622355559 353521725 /nfs/dbraw/zinc/52/17/25/353521725.db2.gz JGCBOMKCWCAGEY-UHFFFAOYSA-N -1 1 273.239 2.516 20 0 CFADMM [O-]c1cccc(CNc2cnn(CCF)c2)c1Cl ZINC000623660389 353699755 /nfs/dbraw/zinc/69/97/55/353699755.db2.gz KSVWRDAKYOQPJF-UHFFFAOYSA-N -1 1 269.707 2.824 20 0 CFADMM CCC(F)(F)C[N-]S(=O)(=O)CCCC(C)(C)C ZINC000625454330 354051341 /nfs/dbraw/zinc/05/13/41/354051341.db2.gz WTYKTSJYKSWEOG-UHFFFAOYSA-N -1 1 271.373 2.777 20 0 CFADMM C[C@@H]1CN(Cc2cc(C(=O)[O-])co2)C[C@H](C)C1(F)F ZINC000625971162 354156552 /nfs/dbraw/zinc/15/65/52/354156552.db2.gz NGJGZMMFYXVBCD-DTORHVGOSA-N -1 1 273.279 2.701 20 0 CFADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])o2)C[C@@H](C)C1(F)F ZINC000625971404 354157015 /nfs/dbraw/zinc/15/70/15/354157015.db2.gz XPGJXUFDGJCSEC-RKDXNWHRSA-N -1 1 273.279 2.701 20 0 CFADMM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1 ZINC000672429038 540020297 /nfs/dbraw/zinc/02/02/97/540020297.db2.gz BOGXCITVUYXMJQ-LLVKDONJSA-N -1 1 293.310 2.600 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC(c2ncco2)CC1 ZINC000627946930 354413870 /nfs/dbraw/zinc/41/38/70/354413870.db2.gz JFZKBDWXPGNRDB-UHFFFAOYSA-N -1 1 290.294 2.539 20 0 CFADMM CCC(C)(C)OCC(=O)Nc1cccc(F)c1[O-] ZINC000628960630 354707953 /nfs/dbraw/zinc/70/79/53/354707953.db2.gz SPNRCGIOZQNASL-UHFFFAOYSA-N -1 1 255.289 2.675 20 0 CFADMM O=C(CNC(=O)c1cc(Cl)ccc1[O-])C1CCCC1 ZINC000628995860 354716599 /nfs/dbraw/zinc/71/65/99/354716599.db2.gz DXFXDBDEXPLUQG-UHFFFAOYSA-N -1 1 281.739 2.535 20 0 CFADMM CC1(C)CCC[C@@](CO)(NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000628807855 354681450 /nfs/dbraw/zinc/68/14/50/354681450.db2.gz IIZXYXBBLSQJMH-MRXNPFEDSA-N -1 1 295.354 2.592 20 0 CFADMM CCO[C@@H](CN1Cc2ccc(C(=O)[O-])cc2C1)C1CC1 ZINC000629361424 354787570 /nfs/dbraw/zinc/78/75/70/354787570.db2.gz IDPVFMZMMGPUPB-HNNXBMFYSA-N -1 1 275.348 2.516 20 0 CFADMM C[C@@H]1CCN(Cc2cc(O)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000629491015 354818970 /nfs/dbraw/zinc/81/89/70/354818970.db2.gz LGSFKGCJXYFZDU-SKDRFNHKSA-N -1 1 283.755 2.588 20 0 CFADMM CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380897 354796779 /nfs/dbraw/zinc/79/67/79/354796779.db2.gz ZJBNTULXMVGOPV-BXUZGUMPSA-N -1 1 285.347 2.953 20 0 CFADMM Cc1nccc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1Cl ZINC000629767488 354926400 /nfs/dbraw/zinc/92/64/00/354926400.db2.gz BAUUWFOMJJHSDG-SCZZXKLOSA-N -1 1 268.744 2.590 20 0 CFADMM C[C@H]1CN(Cc2nc3c(s2)CCCC3)CC[C@H]1C(=O)[O-] ZINC000629772221 354927709 /nfs/dbraw/zinc/92/77/09/354927709.db2.gz LWANHCJAZWZRIM-WDEREUQCSA-N -1 1 294.420 2.565 20 0 CFADMM O=C(NC[C@H]1CCCC12CC2)c1c([O-])cccc1F ZINC000629831507 354937339 /nfs/dbraw/zinc/93/73/39/354937339.db2.gz RZSPCUNDTJKWML-SNVBAGLBSA-N -1 1 263.312 2.841 20 0 CFADMM O=c1c2c([n-]n1Cc1ccc(F)c(F)c1)CCCC2 ZINC000629942636 354956240 /nfs/dbraw/zinc/95/62/40/354956240.db2.gz IAUGHHXQPLJKOX-JTQLQIEISA-N -1 1 264.275 2.853 20 0 CFADMM O=C(c1ncc2ccccc2c1[O-])N1CC(C(F)(F)F)C1 ZINC000669326367 540059729 /nfs/dbraw/zinc/05/97/29/540059729.db2.gz FIBNUTVZDICZNO-UHFFFAOYSA-N -1 1 296.248 2.575 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)N1CCCCCO1 ZINC000630352369 355062500 /nfs/dbraw/zinc/06/25/00/355062500.db2.gz XRNCTRHHICFMLW-UHFFFAOYSA-N -1 1 277.349 2.668 20 0 CFADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccncc2)c(F)c1 ZINC000630461735 355089374 /nfs/dbraw/zinc/08/93/74/355089374.db2.gz CZLFRJFURYDWIK-HNNXBMFYSA-N -1 1 288.322 2.835 20 0 CFADMM Cc1ccc(CCNC(=O)Cc2ccc([O-])c(Cl)c2)o1 ZINC000630734580 355164180 /nfs/dbraw/zinc/16/41/80/355164180.db2.gz GBKMIZDTOSKSKN-UHFFFAOYSA-N -1 1 293.750 2.848 20 0 CFADMM CC[C@H](C)N(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630874857 355205723 /nfs/dbraw/zinc/20/57/23/355205723.db2.gz REBANNXGOGHULU-VIFPVBQESA-N -1 1 255.745 2.845 20 0 CFADMM C[C@@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)CCS1 ZINC000630925830 355219785 /nfs/dbraw/zinc/21/97/85/355219785.db2.gz PZZMMNNRCPZFEB-SECBINFHSA-N -1 1 285.796 2.552 20 0 CFADMM C[C@H]1OCC[C@H]1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000631011017 355245850 /nfs/dbraw/zinc/24/58/50/355245850.db2.gz VCZPPPMWRKIBGG-RQJHMYQMSA-N -1 1 294.298 2.718 20 0 CFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@@H]1C1CC1 ZINC000630922462 355218254 /nfs/dbraw/zinc/21/82/54/355218254.db2.gz TVDRMIXAWCHUPC-CYBMUJFWSA-N -1 1 279.767 2.989 20 0 CFADMM Cc1nc(SCc2cnns2)[n-]c(=O)c1C1CC1 ZINC000631023218 355252049 /nfs/dbraw/zinc/25/20/49/355252049.db2.gz MGNMZXPFMIPKSL-UHFFFAOYSA-N -1 1 280.378 2.512 20 0 CFADMM Cc1nc(SC[C@@H]2CCO[C@@H]2C)[n-]c(=O)c1C1CC1 ZINC000631023804 355252624 /nfs/dbraw/zinc/25/26/24/355252624.db2.gz XQOJFGQDOOGOET-KOLCDFICSA-N -1 1 280.393 2.885 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCC(OC2CCC2)CC1 ZINC000668021468 540142801 /nfs/dbraw/zinc/14/28/01/540142801.db2.gz CIBGBNZFNPEZPQ-UHFFFAOYSA-N -1 1 293.338 2.705 20 0 CFADMM CO[C@H](CNC(=O)Cc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000631577174 355496359 /nfs/dbraw/zinc/49/63/59/355496359.db2.gz HIHZZIBFHIANPU-CYBMUJFWSA-N -1 1 299.798 2.765 20 0 CFADMM CC[C@H](C)[C@](C)(O)CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631523227 355473583 /nfs/dbraw/zinc/47/35/83/355473583.db2.gz IAZJDGLDWFEVHV-ZUZCIYMTSA-N -1 1 299.798 2.501 20 0 CFADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631523217 355473634 /nfs/dbraw/zinc/47/36/34/355473634.db2.gz IAZJDGLDWFEVHV-BMIGLBTASA-N -1 1 299.798 2.501 20 0 CFADMM CC[C@@H]1CO[C@@H](C)CN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631535725 355478915 /nfs/dbraw/zinc/47/89/15/355478915.db2.gz WBOKWGWPLWWMJB-CMPLNLGQSA-N -1 1 297.782 2.614 20 0 CFADMM CC1(C)CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000631553385 355484257 /nfs/dbraw/zinc/48/42/57/355484257.db2.gz OTICVXUZNNAEGE-UHFFFAOYSA-N -1 1 267.756 2.847 20 0 CFADMM CCn1cc(C(=O)Nc2ccc(F)cc2[O-])c(C2CC2)n1 ZINC000632139078 355650885 /nfs/dbraw/zinc/65/08/85/355650885.db2.gz LFTGIOQQMGKYSX-UHFFFAOYSA-N -1 1 289.310 2.877 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@]2(C)CC=CCC2)c1 ZINC000451667360 383679844 /nfs/dbraw/zinc/67/98/44/383679844.db2.gz WZITXUYDZAQCFX-INIZCTEOSA-N -1 1 289.331 2.864 20 0 CFADMM C[C@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C[C@H]1F ZINC000632324542 355689000 /nfs/dbraw/zinc/68/90/00/355689000.db2.gz BGWCWDFTZWJONW-JOYOIKCWSA-N -1 1 285.746 2.795 20 0 CFADMM O=S(=O)([N-][C@H]1CCCC12CC2)c1cc(F)ccc1F ZINC000632615046 355721681 /nfs/dbraw/zinc/72/16/81/355721681.db2.gz YACRPHKEESYSHP-LBPRGKRZSA-N -1 1 287.331 2.576 20 0 CFADMM CC(C)C1(S(=O)(=O)[N-]CC(F)(F)C(C)(C)C)CC1 ZINC000632573355 355717163 /nfs/dbraw/zinc/71/71/63/355717163.db2.gz XUFAFSRTSVKUHY-UHFFFAOYSA-N -1 1 283.384 2.776 20 0 CFADMM CC1(C)CC[C@@H](CNC(=O)Cc2ccc([O-])c(Cl)c2)O1 ZINC000632588779 355719235 /nfs/dbraw/zinc/71/92/35/355719235.db2.gz UJYSQUFCTVVJJK-NSHDSACASA-N -1 1 297.782 2.662 20 0 CFADMM C[C@@H]1C[C@H](CNC(=O)Cc2ccc([O-])c(Cl)c2)CCO1 ZINC000632272793 355679361 /nfs/dbraw/zinc/67/93/61/355679361.db2.gz YGOLTQWRSWZYFA-ZYHUDNBSSA-N -1 1 297.782 2.519 20 0 CFADMM C[C@H]1C[C@H](CNC(=O)Cc2ccc([O-])c(Cl)c2)CCO1 ZINC000632272790 355679507 /nfs/dbraw/zinc/67/95/07/355679507.db2.gz YGOLTQWRSWZYFA-CMPLNLGQSA-N -1 1 297.782 2.519 20 0 CFADMM CC(C)(NC(=O)Cc1ccc([O-])c(Cl)c1)C(F)F ZINC000632805177 355748321 /nfs/dbraw/zinc/74/83/21/355748321.db2.gz FMEHKIDFXUCOTR-UHFFFAOYSA-N -1 1 277.698 2.748 20 0 CFADMM CCOC1CC(N(C)C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000633077503 355799270 /nfs/dbraw/zinc/79/92/70/355799270.db2.gz XVRQZTQVZNHEGC-UHFFFAOYSA-N -1 1 297.782 2.614 20 0 CFADMM COc1cc(C(=O)N2CC[C@H]2C(F)F)cc(Cl)c1[O-] ZINC000633230738 355836201 /nfs/dbraw/zinc/83/62/01/355836201.db2.gz OHHLFFBOQDTAND-QMMMGPOBSA-N -1 1 291.681 2.534 20 0 CFADMM CC(C)C1(NC(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000633211213 355827918 /nfs/dbraw/zinc/82/79/18/355827918.db2.gz WGYZLQCBWXZRKN-UHFFFAOYSA-N -1 1 267.756 2.893 20 0 CFADMM O=S(=O)([N-]CCC1CC1)c1cc(Cl)ccc1F ZINC000340916153 540218357 /nfs/dbraw/zinc/21/83/57/540218357.db2.gz VSHTZZWQUWRJHW-UHFFFAOYSA-N -1 1 277.748 2.558 20 0 CFADMM C[C@@H]1C[C@H](CNC(=O)Cc2ccc([O-])c(Cl)c2)[C@H](C)O1 ZINC000633422307 355899758 /nfs/dbraw/zinc/89/97/58/355899758.db2.gz LIEJLDLKVCMEGP-JFGNBEQYSA-N -1 1 297.782 2.518 20 0 CFADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC1CC=CC1 ZINC000633673550 355966862 /nfs/dbraw/zinc/96/68/62/355966862.db2.gz KBBUJEBOHUNGMD-UHFFFAOYSA-N -1 1 265.740 2.671 20 0 CFADMM CC(C)(C)c1[nH]cnc1C(=O)Nc1cccc(F)c1[O-] ZINC000633686934 355971479 /nfs/dbraw/zinc/97/14/79/355971479.db2.gz IKCPWUZADAQVJB-UHFFFAOYSA-N -1 1 277.299 2.804 20 0 CFADMM CCn1nc(C)cc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633691844 355972682 /nfs/dbraw/zinc/97/26/82/355972682.db2.gz SMARCLKZCLVZGA-UHFFFAOYSA-N -1 1 293.754 2.752 20 0 CFADMM CCCc1nc(C(=O)[N-]c2nnc(C(F)F)s2)co1 ZINC000273616400 192231027 /nfs/dbraw/zinc/23/10/27/192231027.db2.gz SXBBXPOLAYBEPC-UHFFFAOYSA-N -1 1 288.279 2.669 20 0 CFADMM C[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])CC1(F)F ZINC000336572731 290560430 /nfs/dbraw/zinc/56/04/30/290560430.db2.gz IVCHLDKYPWGPMR-QMMMGPOBSA-N -1 1 273.254 2.649 20 0 CFADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H]2C[C@H]21 ZINC000672127966 540265092 /nfs/dbraw/zinc/26/50/92/540265092.db2.gz DLGWUSUEJZNSDV-GZMMTYOYSA-N -1 1 296.164 2.779 20 0 CFADMM [O-]c1ccc(-c2noc(C3(CF)CCC3)n2)cc1F ZINC000335421477 540266930 /nfs/dbraw/zinc/26/69/30/540266930.db2.gz ASAPKARIEQPXNZ-UHFFFAOYSA-N -1 1 266.247 2.973 20 0 CFADMM C[C@@H](N[C@@H](C)c1ncc(C(C)(C)C)o1)[C@H](C)C(=O)[O-] ZINC000569229561 290592197 /nfs/dbraw/zinc/59/21/97/290592197.db2.gz KAGVOSIBFHXCPM-AEJSXWLSSA-N -1 1 268.357 2.732 20 0 CFADMM CC[C@H]1CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000294846860 199210867 /nfs/dbraw/zinc/21/08/67/199210867.db2.gz IJNKEAFOCGVNHY-NSHDSACASA-N -1 1 255.745 2.656 20 0 CFADMM C[C@H]1C[C@H](c2nc(-c3ccc([O-])cc3F)no2)CCO1 ZINC000278190855 291154963 /nfs/dbraw/zinc/15/49/63/291154963.db2.gz PAEVXRDOLUTSMV-DTWKUNHWSA-N -1 1 278.283 2.864 20 0 CFADMM COC[C@@H](C)Cc1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000351464495 540504233 /nfs/dbraw/zinc/50/42/33/540504233.db2.gz NIXHFJKRHHZCNT-VIFPVBQESA-N -1 1 288.307 2.545 20 0 CFADMM CC[C@H](C(=O)[O-])N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000251194005 540534361 /nfs/dbraw/zinc/53/43/61/540534361.db2.gz DFRQNXQXTDUXLV-YUSALJHKSA-N -1 1 251.326 2.698 20 0 CFADMM C[C@H]1OCC[C@]1(C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000230107687 540742688 /nfs/dbraw/zinc/74/26/88/540742688.db2.gz UKKGUWILUAIWGB-DIFFPNOSSA-N -1 1 285.343 2.843 20 0 CFADMM CCN(CCC(=O)[O-])Cc1cc(F)ccc1Cl ZINC000124451363 540731971 /nfs/dbraw/zinc/73/19/71/540731971.db2.gz MBSFMPLDVYSPCJ-UHFFFAOYSA-N -1 1 259.708 2.776 20 0 CFADMM O=C(Cc1ccc2n[nH]cc2c1)Nc1c([O-])cccc1F ZINC000684470885 540862266 /nfs/dbraw/zinc/86/22/66/540862266.db2.gz OOSISLLFLUXCMB-UHFFFAOYSA-N -1 1 285.278 2.589 20 0 CFADMM Cc1cccc2nc(-c3ccc(F)cn3)[n-]c(=O)c12 ZINC000352205521 540885008 /nfs/dbraw/zinc/88/50/08/540885008.db2.gz GKRDFGKIZAVXDX-UHFFFAOYSA-N -1 1 255.252 2.845 20 0 CFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCSCC1 ZINC000180408076 189253492 /nfs/dbraw/zinc/25/34/92/189253492.db2.gz ABTMKRVMWOFHPS-UHFFFAOYSA-N -1 1 291.294 2.600 20 0 CFADMM CC(=O)Nc1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000181037648 189286775 /nfs/dbraw/zinc/28/67/75/189286775.db2.gz NBROBRCHQZNOHU-UHFFFAOYSA-N -1 1 288.278 2.742 20 0 CFADMM Cc1nc(-c2ccc(NCC3CC3)nc2)[n-]c(=O)c1C ZINC000301518177 201040862 /nfs/dbraw/zinc/04/08/62/201040862.db2.gz KJWMSENYLSMDAL-UHFFFAOYSA-N -1 1 270.336 2.683 20 0 CFADMM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000335767768 291270074 /nfs/dbraw/zinc/27/00/74/291270074.db2.gz OJGBQTIDQJRUJA-XVKPBYJWSA-N -1 1 291.244 2.944 20 0 CFADMM O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000424265347 238720702 /nfs/dbraw/zinc/72/07/02/238720702.db2.gz VFNUGVXPVRXESD-AWEZNQCLSA-N -1 1 291.347 2.604 20 0 CFADMM C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182868469 189338044 /nfs/dbraw/zinc/33/80/44/189338044.db2.gz BJOXYLNYELESQG-ONGXEEELSA-N -1 1 299.754 2.568 20 0 CFADMM COCc1ncc(C(=O)[N-]c2cnccc2SC)s1 ZINC000671764484 541125453 /nfs/dbraw/zinc/12/54/53/541125453.db2.gz OXIDZSJTLBZMLU-UHFFFAOYSA-N -1 1 295.389 2.659 20 0 CFADMM CCCCc1nnc([N-]C(=O)c2conc2CC)s1 ZINC000666968281 541168529 /nfs/dbraw/zinc/16/85/29/541168529.db2.gz HBZBYLWDKQIAHP-UHFFFAOYSA-N -1 1 280.353 2.683 20 0 CFADMM CSc1n[nH]c(NC(=O)c2ccc(C3CC3)cc2)n1 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O=C(N[C@H]1CC12CCCCC2)c1c([O-])cccc1F ZINC000185853791 381757097 /nfs/dbraw/zinc/75/70/97/381757097.db2.gz JOUZDHKHKRITBJ-LBPRGKRZSA-N -1 1 263.312 2.984 20 0 CFADMM C[C@H](N=c1[n-]c(C(F)(F)F)cs1)[C@H]1CCCOC1 ZINC000355565082 381783838 /nfs/dbraw/zinc/78/38/38/381783838.db2.gz LDRKWWMHHBUBCR-YUMQZZPRSA-N -1 1 280.315 2.811 20 0 CFADMM O=C([N-]Cc1cccc(-c2cccnc2)c1)C(F)(F)F ZINC000372189794 381770625 /nfs/dbraw/zinc/77/06/25/381770625.db2.gz AZKPZWTTWWGKDL-UHFFFAOYSA-N -1 1 280.249 2.927 20 0 CFADMM CO[C@H]1CCC[C@H]1Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000292774287 381830787 /nfs/dbraw/zinc/83/07/87/381830787.db2.gz XSRQQBNXDCCGEO-WDEREUQCSA-N -1 1 266.366 2.719 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCO[C@@H]2CCC[C@H]21 ZINC000299277631 381880517 /nfs/dbraw/zinc/88/05/17/381880517.db2.gz SGJQWQHKWCEGMH-HZPDHXFCSA-N -1 1 297.354 2.939 20 0 CFADMM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000356625040 381857331 /nfs/dbraw/zinc/85/73/31/381857331.db2.gz FGAREHJNDZROOC-MXWKQRLJSA-N -1 1 293.436 2.646 20 0 CFADMM [O-]c1cccc(C[NH2+][C@H](CO)C2CCCC2)c1Cl ZINC000292907370 381897162 /nfs/dbraw/zinc/89/71/62/381897162.db2.gz HBYQMRJCNIHJKX-GFCCVEGCSA-N -1 1 269.772 2.686 20 0 CFADMM COCCC1(CNC(=O)c2cncc([O-])c2)CCCCC1 ZINC000186437250 381911783 /nfs/dbraw/zinc/91/17/83/381911783.db2.gz WIHRPXKIWCQIEU-UHFFFAOYSA-N -1 1 292.379 2.504 20 0 CFADMM CO[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000373286210 381970707 /nfs/dbraw/zinc/97/07/07/381970707.db2.gz REBHKADJWZWCAE-LLVKDONJSA-N -1 1 283.755 2.687 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@]2(CCCCO2)C1 ZINC000373146631 381936228 /nfs/dbraw/zinc/93/62/28/381936228.db2.gz ZMKUHYRITSBLNT-INIZCTEOSA-N -1 1 293.338 2.707 20 0 CFADMM CC(C)(C)CS(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000293008538 381947172 /nfs/dbraw/zinc/94/71/72/381947172.db2.gz OLJDFOXMDAKXMG-NSHDSACASA-N -1 1 291.363 2.958 20 0 CFADMM C[C@@H]1CCC[C@H](C)N(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000349776503 381989245 /nfs/dbraw/zinc/98/92/45/381989245.db2.gz LPZUGAJMDFMBMN-MNOVXSKESA-N -1 1 293.436 2.790 20 0 CFADMM CN(CC1(O)CCCCCC1)C(=O)c1cc(F)ccc1[O-] ZINC000186923775 382048113 /nfs/dbraw/zinc/04/81/13/382048113.db2.gz QRXJCRMXJQFCLN-UHFFFAOYSA-N -1 1 295.354 2.689 20 0 CFADMM CCCc1nc(C)c(C[N-]c2nnc(C(F)F)o2)o1 ZINC000293307035 382069903 /nfs/dbraw/zinc/06/99/03/382069903.db2.gz ZBVAMZZDQWVTPX-UHFFFAOYSA-N -1 1 272.255 2.868 20 0 CFADMM CC[C@]1(CO)CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000187185514 382122202 /nfs/dbraw/zinc/12/22/02/382122202.db2.gz HLRPZSJFBKJYBC-HNNXBMFYSA-N -1 1 297.782 2.670 20 0 CFADMM CCN(Cc1ccc(C(=O)[O-])cc1F)C[C@@H]1CCCO1 ZINC000062753868 412962309 /nfs/dbraw/zinc/96/23/09/412962309.db2.gz ZCCCEIZFZZTJSJ-ZDUSSCGKSA-N -1 1 281.327 2.525 20 0 CFADMM O=C(N[C@@H]1CCCc2ccc(F)cc21)c1ncccc1[O-] ZINC000357485095 382190239 /nfs/dbraw/zinc/19/02/39/382190239.db2.gz ZITMXXJJCHZUPV-CYBMUJFWSA-N -1 1 286.306 2.734 20 0 CFADMM C[C@H]1CN(Cc2cccc(F)c2F)CC[C@@H]1C(=O)[O-] ZINC000302484160 382254848 /nfs/dbraw/zinc/25/48/48/382254848.db2.gz HWIAVHJUEHDMSE-ONGXEEELSA-N -1 1 269.291 2.507 20 0 CFADMM CC[C@@H](C)CO[N-]C(=O)[C@H]1CCCc2c(O)cccc21 ZINC000293754866 382264630 /nfs/dbraw/zinc/26/46/30/382264630.db2.gz PLKKIALPKXQBNN-RISCZKNCSA-N -1 1 277.364 2.906 20 0 CFADMM CC[C@@H](C)CO[N-]C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000293754854 382264999 /nfs/dbraw/zinc/26/49/99/382264999.db2.gz PLKKIALPKXQBNN-BXUZGUMPSA-N -1 1 277.364 2.906 20 0 CFADMM COCC1(CN=c2nc([C@@H](C)OC)[n-]s2)CCCCC1 ZINC000357827839 382341025 /nfs/dbraw/zinc/34/10/25/382341025.db2.gz OVAIAYYSMHSHNW-LLVKDONJSA-N -1 1 299.440 2.676 20 0 CFADMM CCC(=O)CCCSc1nc(C)c(C)c(=O)[n-]1 ZINC000352369740 382293862 /nfs/dbraw/zinc/29/38/62/382293862.db2.gz SJTYCOOGOJCSBF-UHFFFAOYSA-N -1 1 254.355 2.650 20 0 CFADMM COCCCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000188138458 382354163 /nfs/dbraw/zinc/35/41/63/382354163.db2.gz GDSOOTBBPGXIBA-UHFFFAOYSA-N -1 1 254.355 2.578 20 0 CFADMM C[C@H]1CN(C(=O)c2cc(Br)ccc2[O-])[C@H]1C ZINC000293970907 382359961 /nfs/dbraw/zinc/35/99/61/382359961.db2.gz GPEHKHTUYAHHAM-YUMQZZPRSA-N -1 1 284.153 2.635 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1C[C@@H]2CCCCC[C@@H]21 ZINC000378081041 382394887 /nfs/dbraw/zinc/39/48/87/382394887.db2.gz WIWHRHRBEIZCLV-GWCFXTLKSA-N -1 1 263.312 2.936 20 0 CFADMM O=C(C[C@H]1C=CCCC1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000188558760 382435686 /nfs/dbraw/zinc/43/56/86/382435686.db2.gz WRNDLOWIKOHQBR-NSHDSACASA-N -1 1 283.335 2.552 20 0 CFADMM O=C(NC[C@H]1CCC[C@@H](O)C1)c1cc2ccccc2cc1[O-] ZINC000304641065 382413468 /nfs/dbraw/zinc/41/34/68/382413468.db2.gz UTJALKSDULUGOR-SWLSCSKDSA-N -1 1 299.370 2.826 20 0 CFADMM C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])[C@H]1C ZINC000294222783 382465541 /nfs/dbraw/zinc/46/55/41/382465541.db2.gz RLCJMYSATLMKNV-SFYZADRCSA-N -1 1 284.153 2.635 20 0 CFADMM CCCc1cc(=O)[n-]c(SCCOCC(F)F)n1 ZINC000188743645 382468673 /nfs/dbraw/zinc/46/86/73/382468673.db2.gz GCDMELIGBLHKCY-UHFFFAOYSA-N -1 1 278.324 2.509 20 0 CFADMM O=C(NCCC1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000311395050 382504657 /nfs/dbraw/zinc/50/46/57/382504657.db2.gz BQEVXBZQXZPQHK-UHFFFAOYSA-N -1 1 283.755 2.592 20 0 CFADMM CC[C@@H](C)[C@H](CNC(=O)c1cc(Cl)ccc1[O-])OC ZINC000381435220 382519705 /nfs/dbraw/zinc/51/97/05/382519705.db2.gz XFJLMUWPUQXWFG-RNCFNFMXSA-N -1 1 285.771 2.837 20 0 CFADMM C[C@@H]1CCOCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000367724704 382584389 /nfs/dbraw/zinc/58/43/89/382584389.db2.gz PTHXYUXRMSQZEX-GFCCVEGCSA-N -1 1 285.343 2.796 20 0 CFADMM [O-]c1cccc(CN2CCOC[C@H]2C2CC2)c1Cl ZINC000295232168 382594564 /nfs/dbraw/zinc/59/45/64/382594564.db2.gz CXOXFDRPQLIVHB-LBPRGKRZSA-N -1 1 267.756 2.656 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)c(C)o1 ZINC000295234721 382595470 /nfs/dbraw/zinc/59/54/70/382595470.db2.gz UBBPDLVXOXXWFX-UHFFFAOYSA-N -1 1 285.287 2.516 20 0 CFADMM O=C([O-])[C@@H]1CN(C2c3ccccc3-c3ccccc32)CCO1 ZINC000387848545 382601276 /nfs/dbraw/zinc/60/12/76/382601276.db2.gz IDIUDAAIQUQESV-INIZCTEOSA-N -1 1 295.338 2.542 20 0 CFADMM CCOC(=O)c1csc(=N[C@@H]2CCC[C@@H]2CC)[n-]1 ZINC000388624062 382608686 /nfs/dbraw/zinc/60/86/86/382608686.db2.gz IIPWQBFYDLBFMK-VHSXEESVSA-N -1 1 268.382 2.732 20 0 CFADMM CC(C)(C)c1nsc([N-]C(=O)c2ccc(Cl)nn2)n1 ZINC000295320104 382616218 /nfs/dbraw/zinc/61/62/18/382616218.db2.gz SORCVJDHXIJTHN-UHFFFAOYSA-N -1 1 297.771 2.531 20 0 CFADMM Cc1ccnc(CNC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000394285678 382626984 /nfs/dbraw/zinc/62/69/84/382626984.db2.gz JYEKICZACCGHGP-UHFFFAOYSA-N -1 1 276.723 2.679 20 0 CFADMM O=C(NC[C@H]1CCCC1=O)c1cc2ccccc2cc1[O-] ZINC000189982747 382648557 /nfs/dbraw/zinc/64/85/57/382648557.db2.gz YUURYXMZCUOTSF-CYBMUJFWSA-N -1 1 283.327 2.644 20 0 CFADMM CCc1nnc(NC(=O)c2ccc(CC)cc2[O-])s1 ZINC000190222311 382657728 /nfs/dbraw/zinc/65/77/28/382657728.db2.gz AWVPYVCBRYEGGT-UHFFFAOYSA-N -1 1 277.349 2.621 20 0 CFADMM CO[C@@H]1CC[C@H](NC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000191630295 382701598 /nfs/dbraw/zinc/70/15/98/382701598.db2.gz FHDIASZOTGVFHC-QWHCGFSZSA-N -1 1 285.343 2.843 20 0 CFADMM CCC(C)(C)CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000192224881 382705607 /nfs/dbraw/zinc/70/56/07/382705607.db2.gz GCJYZJSRTPYZQV-UHFFFAOYSA-N -1 1 293.411 2.542 20 0 CFADMM CC[C@@H](C)[C@H](NCc1cccc([O-])c1Cl)C(=O)OC ZINC000336904839 382740002 /nfs/dbraw/zinc/74/00/02/382740002.db2.gz WLYVSKQXUOYAJL-RNCFNFMXSA-N -1 1 285.771 2.723 20 0 CFADMM CC[C@H]1C[C@H](C(=O)Nc2nc(Cl)ccc2[O-])CCO1 ZINC000194576558 382748925 /nfs/dbraw/zinc/74/89/25/382748925.db2.gz NFRRJTRZXMYYRF-BDAKNGLRSA-N -1 1 284.743 2.584 20 0 CFADMM C[C@@H](CN(C)Cc1csc(-c2ccoc2)n1)C(=O)[O-] ZINC000575322607 382758616 /nfs/dbraw/zinc/75/86/16/382758616.db2.gz NICZTIDJFHMZSM-VIFPVBQESA-N -1 1 280.349 2.556 20 0 CFADMM COc1cccc(CSc2nc(C3CC3)cc(=O)[n-]2)n1 ZINC000195080018 382760965 /nfs/dbraw/zinc/76/09/65/382760965.db2.gz FIMVMIFQOVJMPP-UHFFFAOYSA-N -1 1 289.360 2.756 20 0 CFADMM CO[C@@H]1C[C@H](C(=O)[O-])N(Cc2ccc(C(C)(C)C)cc2)C1 ZINC000575755717 382798369 /nfs/dbraw/zinc/79/83/69/382798369.db2.gz WVCDVKWZIZBNLF-HUUCEWRRSA-N -1 1 291.391 2.658 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)NCC3(C4CC4)CC3)cnc2n1 ZINC000337642381 382851255 /nfs/dbraw/zinc/85/12/55/382851255.db2.gz VKXVAPWOPKIIJC-UHFFFAOYSA-N -1 1 297.358 2.564 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCC1(C3CC3)CC1)c2=O ZINC000337642381 382851257 /nfs/dbraw/zinc/85/12/57/382851257.db2.gz VKXVAPWOPKIIJC-UHFFFAOYSA-N -1 1 297.358 2.564 20 0 CFADMM CO[C@]1(C)CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000230268632 382858404 /nfs/dbraw/zinc/85/84/04/382858404.db2.gz XVTSMXGLDGXVGO-CQSZACIVSA-N -1 1 283.755 2.687 20 0 CFADMM CCc1onc(C)c1[N-]C(=O)c1noc2c1C[C@@H](C)CC2 ZINC000577578207 382863616 /nfs/dbraw/zinc/86/36/16/382863616.db2.gz JCBBAVLJCFUPLU-QMMMGPOBSA-N -1 1 289.335 2.911 20 0 CFADMM CC[C@](C)(OC)c1noc(-c2ccc([O-])cc2F)n1 ZINC000232390399 382868905 /nfs/dbraw/zinc/86/89/05/382868905.db2.gz CFJMTNMQFIWWFU-ZDUSSCGKSA-N -1 1 266.272 2.853 20 0 CFADMM CO[C@@H](C)c1nc(=NCCOC2CCCCCC2)s[n-]1 ZINC000337843951 382871266 /nfs/dbraw/zinc/87/12/66/382871266.db2.gz CIWFBKCSPKEFJI-NSHDSACASA-N -1 1 299.440 2.819 20 0 CFADMM CO[C@H](C)c1nc(=NC[C@H]2CCCC(F)(F)C2)s[n-]1 ZINC000337944834 382876060 /nfs/dbraw/zinc/87/60/60/382876060.db2.gz UIMZNHWOTIXHMH-BDAKNGLRSA-N -1 1 291.367 2.905 20 0 CFADMM Cc1n[nH]c([N-]S(=O)(=O)c2cc3ccccc3o2)c1C ZINC000533360579 382894333 /nfs/dbraw/zinc/89/43/33/382894333.db2.gz ZCAZHCPQANPJIG-UHFFFAOYSA-N -1 1 291.332 2.574 20 0 CFADMM Cc1ccccc1-c1cnc(C[N@@H+](C)CCC(=O)[O-])o1 ZINC000533817883 382911701 /nfs/dbraw/zinc/91/17/01/382911701.db2.gz NWGIGIXGGWYHQV-UHFFFAOYSA-N -1 1 274.320 2.557 20 0 CFADMM Cc1ccccc1-c1cnc(CN(C)CCC(=O)[O-])o1 ZINC000533817883 382911705 /nfs/dbraw/zinc/91/17/05/382911705.db2.gz NWGIGIXGGWYHQV-UHFFFAOYSA-N -1 1 274.320 2.557 20 0 CFADMM Cc1cnc(C(=O)NCC2(c3ccccc3)CC2)c([O-])c1 ZINC000494888749 382939067 /nfs/dbraw/zinc/93/90/67/382939067.db2.gz ADASTKBCDONXIR-UHFFFAOYSA-N -1 1 282.343 2.557 20 0 CFADMM Cc1c(C)c(C)c(CN2CCO[C@@H](C(=O)[O-])C2)c(C)c1C ZINC000578634913 382939309 /nfs/dbraw/zinc/93/93/09/382939309.db2.gz ODBKBJHGNZLZDJ-MRXNPFEDSA-N -1 1 291.391 2.514 20 0 CFADMM COc1cc(C(=O)N(C)CC(F)(F)F)cc(Cl)c1[O-] ZINC000442650683 382940959 /nfs/dbraw/zinc/94/09/59/382940959.db2.gz PFYBKQQBCAKWQD-UHFFFAOYSA-N -1 1 297.660 2.689 20 0 CFADMM O=C(Nc1ccncc1[O-])c1ccc(Cl)c2ncccc12 ZINC000338194072 382949389 /nfs/dbraw/zinc/94/93/89/382949389.db2.gz WVQLWDDDWCHTKF-UHFFFAOYSA-N -1 1 299.717 2.663 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](F)C1 ZINC000578781112 382954423 /nfs/dbraw/zinc/95/44/23/382954423.db2.gz AXXRCQPGSAQMRA-VIFPVBQESA-N -1 1 257.692 2.620 20 0 CFADMM O=C([O-])[C@@H](c1ccsc1)N1CCOC[C@H](C2CCC2)C1 ZINC000579015948 382976152 /nfs/dbraw/zinc/97/61/52/382976152.db2.gz JUEGHJXDJMRCIG-ZIAGYGMSSA-N -1 1 295.404 2.622 20 0 CFADMM Fc1ccc(CNC2(c3nnn[n-]3)CCCC2)c(Cl)c1 ZINC000579054679 382978502 /nfs/dbraw/zinc/97/85/02/382978502.db2.gz UOLBSIIQTXVFIC-UHFFFAOYSA-N -1 1 295.749 2.551 20 0 CFADMM CC[C@]1(C(C)C)C[C@@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000457251521 383003413 /nfs/dbraw/zinc/00/34/13/383003413.db2.gz ABTVBEWPRLWDHZ-XJKSGUPXSA-N -1 1 275.348 2.516 20 0 CFADMM COCC1(CCN=c2nc(C(F)(F)F)[n-]s2)CCC1 ZINC000338736407 383033796 /nfs/dbraw/zinc/03/37/96/383033796.db2.gz PSFXNMBBPFGDST-UHFFFAOYSA-N -1 1 295.330 2.598 20 0 CFADMM CO[C@@H]1C[C@@H](C(=O)[O-])N(Cc2ccc3ccccc3c2)C1 ZINC000579720529 383047069 /nfs/dbraw/zinc/04/70/69/383047069.db2.gz OPQRHZARTFDMRY-CVEARBPZSA-N -1 1 285.343 2.514 20 0 CFADMM O=C(NC1(C2CCC2)CCC1)c1c([O-])cccc1F ZINC000458223647 383135603 /nfs/dbraw/zinc/13/56/03/383135603.db2.gz WNNKLVXPXVPSRE-UHFFFAOYSA-N -1 1 263.312 2.984 20 0 CFADMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2sccc2F)[C@@H](C)C1 ZINC000338919148 383086636 /nfs/dbraw/zinc/08/66/36/383086636.db2.gz OGGVHGQZNUWNRS-YWVKMMECSA-N -1 1 291.413 2.990 20 0 CFADMM O=S(=O)([N-][C@@H]1CC2CCC1CC2)c1sccc1F ZINC000338933245 383089691 /nfs/dbraw/zinc/08/96/91/383089691.db2.gz INRUYYLCTSFCSV-NWGYLPEXSA-N -1 1 289.397 2.744 20 0 CFADMM 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CFADMM CCC1(N=c2nc([C@@H](C)OC)[n-]s2)CCCC1 ZINC000382578293 393572208 /nfs/dbraw/zinc/57/22/08/393572208.db2.gz WMSIUQBSXCVOOI-SECBINFHSA-N -1 1 255.387 2.802 20 0 CFADMM CCN(CC1CCC1)C(=O)c1ccc([O-])c(F)c1 ZINC000684516823 542821520 /nfs/dbraw/zinc/82/15/20/542821520.db2.gz MKCGXMVEGPPXLT-UHFFFAOYSA-N -1 1 251.301 2.794 20 0 CFADMM Cc1nnc([N-]C(=O)c2ccc(F)c(F)c2F)s1 ZINC000075297350 393671795 /nfs/dbraw/zinc/67/17/95/393671795.db2.gz ZWYYFHALNDZSNH-UHFFFAOYSA-N -1 1 273.239 2.516 20 0 CFADMM Cc1csc([C@H](C)NC(=O)c2cc(F)ccc2[O-])n1 ZINC000080023593 393723398 /nfs/dbraw/zinc/72/33/98/393723398.db2.gz AFEDMIIVTLSRDC-QMMMGPOBSA-N -1 1 280.324 2.787 20 0 CFADMM C[N@H+]1CCC[C@H]1CCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000195078471 393730509 /nfs/dbraw/zinc/73/05/09/393730509.db2.gz HPVNYQOKCKARTA-NSHDSACASA-N -1 1 279.409 2.636 20 0 CFADMM CC[C@H](N=c1nc([C@@H](C)OC)[n-]s1)C(C)(C)C ZINC000337918816 393771290 /nfs/dbraw/zinc/77/12/90/393771290.db2.gz VYEPUTIQLBVQFC-BDAKNGLRSA-N -1 1 257.403 2.904 20 0 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269.728 2.535 20 0 CFADMM Cc1cc(F)c(CNCCSCC(=O)[O-])c(Cl)c1 ZINC000417615248 393984168 /nfs/dbraw/zinc/98/41/68/393984168.db2.gz GBKBHYXFIQMBFK-UHFFFAOYSA-N -1 1 291.775 2.695 20 0 CFADMM O=C([O-])[C@@H]1C[C@@H](NCc2ccco2)c2ccccc21 ZINC000417628253 393986714 /nfs/dbraw/zinc/98/67/14/393986714.db2.gz PAXWUQFLXQZNDN-ZIAGYGMSSA-N -1 1 257.289 2.682 20 0 CFADMM Cc1ccc(C[C@H](NCc2ccco2)C(=O)[O-])cc1C ZINC000417645234 393988860 /nfs/dbraw/zinc/98/88/60/393988860.db2.gz BGYSYDKUKOSFIU-HNNXBMFYSA-N -1 1 273.332 2.682 20 0 CFADMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cc(Br)ccc1[O-] ZINC000436821836 394025381 /nfs/dbraw/zinc/02/53/81/394025381.db2.gz MKZJXRGIFCNKAP-GDGBQDQQSA-N -1 1 296.164 2.683 20 0 CFADMM O=C(Nc1cccc2c[nH]nc21)c1ccccc1[O-] ZINC000125048217 394001575 /nfs/dbraw/zinc/00/15/75/394001575.db2.gz IAEZTMUTIMTYJA-UHFFFAOYSA-N -1 1 253.261 2.521 20 0 CFADMM C[C@H](c1nc(-c2cccs2)no1)N(C)CCCC(=O)[O-] ZINC000430653064 394001763 /nfs/dbraw/zinc/00/17/63/394001763.db2.gz 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[O-]c1ccc(-c2noc(CCc3nccs3)n2)cc1F ZINC000350822333 324264289 /nfs/dbraw/zinc/26/42/89/324264289.db2.gz DYIVACKBNSKRAR-UHFFFAOYSA-N -1 1 291.307 2.823 20 0 CFADMM [O-]c1ccc(-c2noc(-c3ccncc3F)n2)cc1F ZINC000350840007 324266012 /nfs/dbraw/zinc/26/60/12/324266012.db2.gz WVYNVWGCDQJVBY-UHFFFAOYSA-N -1 1 275.214 2.782 20 0 CFADMM CO[C@@H](CNC(=O)c1ccc2ccccc2c1[O-])C(C)C ZINC000381288111 324417064 /nfs/dbraw/zinc/41/70/64/324417064.db2.gz MWUYLLAJXUWSEM-HNNXBMFYSA-N -1 1 287.359 2.946 20 0 CFADMM Cc1nc(CSc2ncc(C)c(=O)[n-]2)cs1 ZINC000576480472 324623252 /nfs/dbraw/zinc/62/32/52/324623252.db2.gz LPNSMTXKXGYVEQ-UHFFFAOYSA-N -1 1 253.352 2.548 20 0 CFADMM CCc1cc(=O)[n-]c(SCc2nnc(C3CC3)s2)n1 ZINC000577459568 324739482 /nfs/dbraw/zinc/73/94/82/324739482.db2.gz GDPSGELJLWYEBD-UHFFFAOYSA-N -1 1 294.405 2.766 20 0 CFADMM CCc1nc(S[C@@H](CC(C)C)C(=O)OC)[n-]c(=O)c1C ZINC000578550856 324864769 /nfs/dbraw/zinc/86/47/69/324864769.db2.gz QMLHWFOGFUCHEV-NSHDSACASA-N -1 1 298.408 2.733 20 0 CFADMM CCc1nc(S[C@H](CC(C)C)C(=O)OC)[n-]c(=O)c1C ZINC000578550855 324865125 /nfs/dbraw/zinc/86/51/25/324865125.db2.gz QMLHWFOGFUCHEV-LLVKDONJSA-N -1 1 298.408 2.733 20 0 CFADMM COc1cccc2c(C(=O)N(C)c3cccc(C)n3)n[nH]c21 ZINC000580386855 325030667 /nfs/dbraw/zinc/03/06/67/325030667.db2.gz NCRHBRPYFGCQNP-UHFFFAOYSA-N -1 1 296.330 2.552 20 0 CFADMM CCc1nc(S[C@@H](C)CCOC)[n-]c(=O)c1C ZINC000580572262 325047649 /nfs/dbraw/zinc/04/76/49/325047649.db2.gz PWUXBAXXQDMCDJ-QMMMGPOBSA-N -1 1 256.371 2.570 20 0 CFADMM C[C@@H](NCc1ncccc1O)c1cccc(F)c1F ZINC000580602742 325049720 /nfs/dbraw/zinc/04/97/20/325049720.db2.gz OXVNBZNMPINWPQ-SECBINFHSA-N -1 1 264.275 2.916 20 0 CFADMM CCCc1nc(CN(C[C@H](C)C(=O)[O-])C2CC2)cs1 ZINC000581196718 325099441 /nfs/dbraw/zinc/09/94/41/325099441.db2.gz PGIICVQNCKKRGY-JTQLQIEISA-N -1 1 282.409 2.781 20 0 CFADMM Cc1ccn(C)c1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000581349062 325112885 /nfs/dbraw/zinc/11/28/85/325112885.db2.gz RCERQQAJXXJGBH-UHFFFAOYSA-N -1 1 296.330 2.682 20 0 CFADMM O=C([O-])CCCCCN1CCOC[C@H]1c1ccccc1 ZINC000581554143 325131665 /nfs/dbraw/zinc/13/16/65/325131665.db2.gz VAVKFMFGNUYUST-HNNXBMFYSA-N -1 1 277.364 2.705 20 0 CFADMM CC(C)C[C@@H]1COCCN1Cc1ccsc1C(=O)[O-] ZINC000581731671 325146902 /nfs/dbraw/zinc/14/69/02/325146902.db2.gz LFGYUXNYLVILCH-GFCCVEGCSA-N -1 1 283.393 2.693 20 0 CFADMM CC(C)[C@@H](NCc1ncccc1[O-])c1nc(C2CC2)no1 ZINC000582029537 325170028 /nfs/dbraw/zinc/17/00/28/325170028.db2.gz AFGMXEKSHOQZAZ-CYBMUJFWSA-N -1 1 288.351 2.535 20 0 CFADMM Cc1sc(=NCc2ccc([C@@H]3C[C@@H]3C)o2)[nH]c1C(=O)[O-] ZINC000583087310 325259732 /nfs/dbraw/zinc/25/97/32/325259732.db2.gz QEAWGCGPXNNUHH-OIBJUYFYSA-N -1 1 292.360 2.900 20 0 CFADMM CC(=O)[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c(F)c2F)C1(C)C ZINC000583549205 325295262 /nfs/dbraw/zinc/29/52/62/325295262.db2.gz AZHCBBZHPVQYJB-DTWKUNHWSA-N -1 1 297.301 2.860 20 0 CFADMM C[C@H]1CN(Cc2c(Cl)cccc2C(=O)[O-])CCCO1 ZINC000583570015 325297482 /nfs/dbraw/zinc/29/74/82/325297482.db2.gz YMAWBOUTTGYDBX-JTQLQIEISA-N -1 1 283.755 2.649 20 0 CFADMM O=S(=O)([N-]C1(CF)CCC1)c1cc(Cl)ccc1F ZINC000584169585 325335280 /nfs/dbraw/zinc/33/52/80/325335280.db2.gz FPRYJVPPGABOCQ-UHFFFAOYSA-N -1 1 295.738 2.650 20 0 CFADMM CCc1nc(SC[C@@H]2CCO[C@@H](C)C2)[n-]c(=O)c1C ZINC000584183587 325336885 /nfs/dbraw/zinc/33/68/85/325336885.db2.gz ODUUKTPNDGMSGT-GXSJLCMTSA-N -1 1 282.409 2.960 20 0 CFADMM COC(=O)c1nc2ccc(-c3cc(N)ccc3F)cc2[n-]1 ZINC001243283635 782108313 /nfs/dbraw/zinc/10/83/13/782108313.db2.gz FCZTUEIZGWPMRP-UHFFFAOYSA-N -1 1 285.278 2.738 20 0 CFADMM COC(=O)c1nc2cc(-c3cc(N)ccc3F)ccc2[n-]1 ZINC001243283635 782108317 /nfs/dbraw/zinc/10/83/17/782108317.db2.gz FCZTUEIZGWPMRP-UHFFFAOYSA-N -1 1 285.278 2.738 20 0 CFADMM CCC1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000335113445 519860902 /nfs/dbraw/zinc/86/09/02/519860902.db2.gz BLHSADDGEXEKMK-UHFFFAOYSA-N -1 1 273.254 2.893 20 0 CFADMM O=C1NCCc2cccc(-c3ccc([O-])c(F)c3F)c21 ZINC001243340584 782143869 /nfs/dbraw/zinc/14/38/69/782143869.db2.gz FCFZEVUQSUHGNG-UHFFFAOYSA-N -1 1 275.254 2.623 20 0 CFADMM Cn1cnc2ccc(-c3ccc([O-])c(F)c3F)nc21 ZINC001243341146 782145440 /nfs/dbraw/zinc/14/54/40/782145440.db2.gz DNRNAOZSCGMHSV-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM COC(=O)[C@H](N)c1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC001243341483 782146171 /nfs/dbraw/zinc/14/61/71/782146171.db2.gz RESPLGUMGODMMP-CQSZACIVSA-N -1 1 293.269 2.510 20 0 CFADMM O=C1NCc2cccc(-c3ccc([O-])c(F)c3F)c21 ZINC001243341826 782146334 /nfs/dbraw/zinc/14/63/34/782146334.db2.gz DUFUEIYUPGFVFC-UHFFFAOYSA-N -1 1 261.227 2.581 20 0 CFADMM CCOC(=O)c1ncccc1-c1ccc([O-])c(F)c1F ZINC001243341128 782146532 /nfs/dbraw/zinc/14/65/32/782146532.db2.gz KWEOYDJQXVSECW-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM [O-]c1ccc(-c2cnc3nccnc3c2)c(F)c1F ZINC001243342801 782147079 /nfs/dbraw/zinc/14/70/79/782147079.db2.gz USMXYVDINAFHKL-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM COC(=O)c1ccc(-c2ccc([O-])c(F)c2F)cn1 ZINC001243342463 782147170 /nfs/dbraw/zinc/14/71/70/782147170.db2.gz OEDYNVRBMQLCMW-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM Cn1cnc2cc(-c3ccc([O-])c(F)c3F)cnc21 ZINC001243341978 782147488 /nfs/dbraw/zinc/14/74/88/782147488.db2.gz GLQMIXCDODOQEV-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM COc1ccc(-c2ccc([O-])c(F)c2F)c(F)n1 ZINC001243344542 782149439 /nfs/dbraw/zinc/14/94/39/782149439.db2.gz FTYZKCXFVMRBCD-UHFFFAOYSA-N -1 1 255.195 2.880 20 0 CFADMM [O-]c1ccc(-c2cc(O[C@H]3CCOC3)ccn2)c(F)c1F ZINC001243343835 782149573 /nfs/dbraw/zinc/14/95/73/782149573.db2.gz PVLVYXQGYKNJTR-JTQLQIEISA-N -1 1 293.269 2.900 20 0 CFADMM NC(=O)c1cc(-c2ccc([O-])c(F)c2F)cc2cc[nH]c21 ZINC001243344336 782149974 /nfs/dbraw/zinc/14/99/74/782149974.db2.gz FLTRQTJUMDRAPS-UHFFFAOYSA-N -1 1 288.253 2.918 20 0 CFADMM COCOc1ccc(-c2ccc([O-])c(F)c2F)cn1 ZINC001243343600 782148923 /nfs/dbraw/zinc/14/89/23/782148923.db2.gz IVYCBJOVEDDDPH-UHFFFAOYSA-N -1 1 267.231 2.715 20 0 CFADMM C[C@H](CCCC(F)(F)F)NC(=O)c1ncccc1[O-] ZINC000427971452 533838142 /nfs/dbraw/zinc/83/81/42/533838142.db2.gz KNNNIMFSSSPQOC-MRVPVSSYSA-N -1 1 276.258 2.638 20 0 CFADMM C[C@H]1CN(C(=O)c2ccccc2[O-])c2ccc(F)cc2O1 ZINC000173519398 533887810 /nfs/dbraw/zinc/88/78/10/533887810.db2.gz LEJCQLQXFPBGCW-JTQLQIEISA-N -1 1 287.290 2.959 20 0 CFADMM COC(=O)c1ccc(C(=O)[N-]c2c(F)cccc2F)o1 ZINC000153012620 534038675 /nfs/dbraw/zinc/03/86/75/534038675.db2.gz RSKBVOIIHUWEOV-UHFFFAOYSA-N -1 1 281.214 2.597 20 0 CFADMM COc1ccccc1CCNC(=O)c1cc(F)ccc1[O-] ZINC000175178930 534044887 /nfs/dbraw/zinc/04/48/87/534044887.db2.gz VWWICRNWBBTVSR-UHFFFAOYSA-N -1 1 289.306 2.512 20 0 CFADMM O=C([N-][C@@H]1C[C@H]1c1ccc(F)cc1)C(F)(F)C(F)F ZINC000279470943 518200576 /nfs/dbraw/zinc/20/05/76/518200576.db2.gz LVCNGRDSRLBEMS-DTWKUNHWSA-N -1 1 279.208 2.698 20 0 CFADMM CC(C)(C)CC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000357342504 518653840 /nfs/dbraw/zinc/65/38/40/518653840.db2.gz IHCPLTVOVYHKOD-UHFFFAOYSA-N -1 1 295.326 2.818 20 0 CFADMM O=C(Nc1cccc2[nH]ccc21)c1ccc(O)cc1[O-] ZINC000170776162 534369425 /nfs/dbraw/zinc/36/94/25/534369425.db2.gz KQMLHJOZLRGKSD-UHFFFAOYSA-N -1 1 268.272 2.831 20 0 CFADMM CC(C)(C)C[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000307777248 518685726 /nfs/dbraw/zinc/68/57/26/518685726.db2.gz PZJZAOKGYPSAIZ-NSHDSACASA-N -1 1 262.353 2.686 20 0 CFADMM Cc1nc(CNCc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000426659686 534385984 /nfs/dbraw/zinc/38/59/84/534385984.db2.gz HZIPVVNJSGCBMH-UHFFFAOYSA-N -1 1 274.295 2.517 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N3CC[C@@H](C)[C@H]3C)cnc2n1 ZINC000177010573 534396493 /nfs/dbraw/zinc/39/64/93/534396493.db2.gz SOZISKIWAPRBFK-MWLCHTKSSA-N -1 1 285.347 2.514 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@@H](C)[C@H]1C)c2=O ZINC000177010573 534396498 /nfs/dbraw/zinc/39/64/98/534396498.db2.gz SOZISKIWAPRBFK-MWLCHTKSSA-N -1 1 285.347 2.514 20 0 CFADMM CCC1CN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000335117320 519860871 /nfs/dbraw/zinc/86/08/71/519860871.db2.gz NEIFBAAMJUCMTR-UHFFFAOYSA-N -1 1 284.153 2.637 20 0 CFADMM CCN(CC(F)F)C(=O)c1ccc(Cl)cc1[O-] ZINC000182496650 520428010 /nfs/dbraw/zinc/42/80/10/520428010.db2.gz MYMYPIPNJPVTRL-UHFFFAOYSA-N -1 1 263.671 2.773 20 0 CFADMM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340820002 520538374 /nfs/dbraw/zinc/53/83/74/520538374.db2.gz NYTZSGJPFSOUCB-MRVPVSSYSA-N -1 1 291.775 2.804 20 0 CFADMM CC1(C)C[C@H]1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000231346447 520566687 /nfs/dbraw/zinc/56/66/87/520566687.db2.gz SWYLPAUIEOQXTC-VIFPVBQESA-N -1 1 298.180 2.931 20 0 CFADMM CC1(C2CC2)CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000335036772 520687908 /nfs/dbraw/zinc/68/79/08/520687908.db2.gz IEBVTLPBDYBSSQ-UHFFFAOYSA-N -1 1 287.359 2.614 20 0 CFADMM Cc1cnc(C(=O)N2Cc3ccccc3C[C@H]2C)c([O-])c1 ZINC000427504800 534526126 /nfs/dbraw/zinc/52/61/26/534526126.db2.gz FDWBXCHMPSINHT-GFCCVEGCSA-N -1 1 282.343 2.683 20 0 CFADMM Cc1nc(SCCCO[C@@H]2CCCCO2)[n-]c(=O)c1C ZINC000413003590 534529874 /nfs/dbraw/zinc/52/98/74/534529874.db2.gz UXQRXQVHQOYMIP-GFCCVEGCSA-N -1 1 298.408 2.824 20 0 CFADMM CCCN(CC1CC1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000074273671 521625220 /nfs/dbraw/zinc/62/52/20/521625220.db2.gz UCFFDFMJWGPPNF-UHFFFAOYSA-N -1 1 285.347 2.598 20 0 CFADMM COC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000335114735 522450502 /nfs/dbraw/zinc/45/05/02/522450502.db2.gz UPSIRCQBPXBACY-LLVKDONJSA-N -1 1 297.782 2.934 20 0 CFADMM COC(C)(C)CCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000340703301 522475886 /nfs/dbraw/zinc/47/58/86/522475886.db2.gz IYXYEQBHAFPMCJ-UHFFFAOYSA-N -1 1 268.382 2.967 20 0 CFADMM CO[C@@H](C)c1nc(=NC[C@@H](SC)C(C)(C)C)s[n-]1 ZINC000337859830 523460217 /nfs/dbraw/zinc/46/02/17/523460217.db2.gz IKGHZJLKOMEKOK-DTWKUNHWSA-N -1 1 289.470 2.857 20 0 CFADMM C[C@@H]1CC[C@H](N(C)C(=O)c2ccc([O-])cc2F)C1 ZINC000336157673 524683579 /nfs/dbraw/zinc/68/35/79/524683579.db2.gz WDUIMVPEIUYDKF-ZJUUUORDSA-N -1 1 251.301 2.792 20 0 CFADMM C[C@H]1COCC[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000314520148 524732374 /nfs/dbraw/zinc/73/23/74/524732374.db2.gz GIFDUJXBJUEKKF-XHDPSFHLSA-N -1 1 285.343 2.700 20 0 CFADMM C[C@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[O-])c2nccn21 ZINC000335178170 524916406 /nfs/dbraw/zinc/91/64/06/524916406.db2.gz XDDIPAPOMGINLE-KWQFWETISA-N -1 1 291.738 2.678 20 0 CFADMM C[C@H]1C[C@H]1CNC(=O)c1ccc(Br)cc1[O-] ZINC000049450329 524956579 /nfs/dbraw/zinc/95/65/79/524956579.db2.gz AIUFPXUMMXJGIN-YUMQZZPRSA-N -1 1 284.153 2.541 20 0 CFADMM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc([O-])cc1F ZINC000336157951 525098686 /nfs/dbraw/zinc/09/86/86/525098686.db2.gz PDEPFOZCTMKKOR-OIBJUYFYSA-N -1 1 291.244 2.944 20 0 CFADMM CSC1(c2nc(-c3ccc([O-])c(F)c3)no2)CC1 ZINC000335143996 525342593 /nfs/dbraw/zinc/34/25/93/525342593.db2.gz PTGDPGCAPJSUNA-UHFFFAOYSA-N -1 1 266.297 2.933 20 0 CFADMM C[C@@]1(C(=O)Nc2ccc([O-])c(Cl)c2)CCCCO1 ZINC000336303658 525808628 /nfs/dbraw/zinc/80/86/28/525808628.db2.gz PFKVTCGTHRWBFO-ZDUSSCGKSA-N -1 1 269.728 2.943 20 0 CFADMM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000339918220 526220174 /nfs/dbraw/zinc/22/01/74/526220174.db2.gz BAFOBFRJECNTSZ-GWCFXTLKSA-N -1 1 262.353 2.732 20 0 CFADMM C[C@H]1CCCC[C@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000335101810 526262068 /nfs/dbraw/zinc/26/20/68/526262068.db2.gz GNNDIOGNFCEOEN-WCBMZHEXSA-N -1 1 269.291 2.979 20 0 CFADMM O=C([O-])[C@H]1CCCN(Cc2ncc(-c3cccs3)o2)C1 ZINC000164642984 526322927 /nfs/dbraw/zinc/32/29/27/526322927.db2.gz RJYNFNAHNFCFDB-JTQLQIEISA-N -1 1 292.360 2.700 20 0 CFADMM O=C([O-])c1cccc(CNCc2cc(F)ccc2F)c1 ZINC000236486024 526390010 /nfs/dbraw/zinc/39/00/10/526390010.db2.gz AJUXKGFUHUAYGJ-UHFFFAOYSA-N -1 1 277.270 2.953 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(F)(F)C1 ZINC000313303597 526610572 /nfs/dbraw/zinc/61/05/72/526610572.db2.gz XDXABKZEJVMGRU-UHFFFAOYSA-N -1 1 261.655 2.527 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CCOCC2(CC2)C1 ZINC000336143906 526639376 /nfs/dbraw/zinc/63/93/76/526639376.db2.gz SDUQJNMBBLXFDL-UHFFFAOYSA-N -1 1 297.354 2.798 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CCO[C@H](C2CC2)C1 ZINC000336382552 526640357 /nfs/dbraw/zinc/64/03/57/526640357.db2.gz HZQDTFZJHCZBFS-KRWDZBQOSA-N -1 1 297.354 2.796 20 0 CFADMM O=C(NCc1ccccc1C(F)(F)F)c1ncccc1[O-] ZINC000060942271 526744418 /nfs/dbraw/zinc/74/44/18/526744418.db2.gz OCTRTDRWZAKTOM-UHFFFAOYSA-N -1 1 296.248 2.736 20 0 CFADMM CC(C)(CNC(=O)c1cncc([O-])c1)C1CCCC1 ZINC000178974836 527166886 /nfs/dbraw/zinc/16/68/86/527166886.db2.gz GGEGYXJWMRMGJV-UHFFFAOYSA-N -1 1 262.353 2.733 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cnn(-c2ccccc2)c1 ZINC000340333382 527213531 /nfs/dbraw/zinc/21/35/31/527213531.db2.gz YXEHRZNBOFEXDZ-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM O=S(=O)([N-]CCCCF)c1cc(Cl)ccc1F ZINC000360262913 527213662 /nfs/dbraw/zinc/21/36/62/527213662.db2.gz VRYJZHBWHYXHLB-UHFFFAOYSA-N -1 1 283.727 2.507 20 0 CFADMM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cncc([O-])c1 ZINC000339912545 527267745 /nfs/dbraw/zinc/26/77/45/527267745.db2.gz AOUXFQOKSATNJA-UHFFFAOYSA-N -1 1 282.299 2.559 20 0 CFADMM O=C(Cn1cc(Cl)cn1)Nc1ccc([O-])c(Cl)c1 ZINC000336100167 527368765 /nfs/dbraw/zinc/36/87/65/527368765.db2.gz CJAHLITVNRUQJZ-UHFFFAOYSA-N -1 1 286.118 2.534 20 0 CFADMM C/C(=C/c1ccccc1)CN(C)C(=O)c1ncccc1[O-] ZINC000427564835 527504988 /nfs/dbraw/zinc/50/49/88/527504988.db2.gz QZUXYNXQPQYETF-QBFSEMIESA-N -1 1 282.343 2.963 20 0 CFADMM O=C(C(=O)N1CCCC12CCCCC2)c1ccc([O-])cc1 ZINC000336157055 527664240 /nfs/dbraw/zinc/66/42/40/527664240.db2.gz YLKKHGVDMBUXCO-UHFFFAOYSA-N -1 1 287.359 2.900 20 0 CFADMM CCCCNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000193145022 528547476 /nfs/dbraw/zinc/54/74/76/528547476.db2.gz PVZMZAJTSZLDKS-UHFFFAOYSA-N -1 1 271.744 2.974 20 0 CFADMM CCCS(=O)(=O)[N-]c1cc(C)nc(-c2ccccc2)n1 ZINC000414463821 528814531 /nfs/dbraw/zinc/81/45/31/528814531.db2.gz SBDIQGAQBCVZBX-UHFFFAOYSA-N -1 1 291.376 2.604 20 0 CFADMM CC1(C)CC[C@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000162779714 529048236 /nfs/dbraw/zinc/04/82/36/529048236.db2.gz CWNXIFKGPWDMAP-JTQLQIEISA-N -1 1 251.301 2.840 20 0 CFADMM CC1(C)CCc2sc(NC(=O)c3cncc([O-])c3)nc21 ZINC000421961506 529057924 /nfs/dbraw/zinc/05/79/24/529057924.db2.gz KGPRUXXBBOKFQO-UHFFFAOYSA-N -1 1 289.360 2.720 20 0 CFADMM CC[C@H]1CCCCCN1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000426642505 529196636 /nfs/dbraw/zinc/19/66/36/529196636.db2.gz JFCYDSGUHGIDMP-LBPRGKRZSA-N -1 1 293.436 2.934 20 0 CFADMM CC[C@@H]1CC[C@H](C)N(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000456820660 535824027 /nfs/dbraw/zinc/82/40/27/535824027.db2.gz OGDMORLPZGGWQJ-NWDGAFQWSA-N -1 1 275.348 2.612 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CCC[C@H]2C)c1 ZINC000436513391 536790629 /nfs/dbraw/zinc/79/06/29/536790629.db2.gz NDDRVPAJLYHDAF-MNOVXSKESA-N -1 1 291.347 2.944 20 0 CFADMM CC(C)[C@@H]1C[C@@H](C(=O)Nc2c([O-])cccc2F)CCO1 ZINC000935098938 649875135 /nfs/dbraw/zinc/87/51/35/649875135.db2.gz GBOWMYQEPRJGSL-GWCFXTLKSA-N -1 1 281.327 2.921 20 0 CFADMM CCCCc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000736466048 574056463 /nfs/dbraw/zinc/05/64/63/574056463.db2.gz IKRSEQQDDJRFGM-UHFFFAOYSA-N -1 1 295.350 2.743 20 0 CFADMM CCCCc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000736466048 574056465 /nfs/dbraw/zinc/05/64/65/574056465.db2.gz IKRSEQQDDJRFGM-UHFFFAOYSA-N -1 1 295.350 2.743 20 0 CFADMM CSCCCNC(=O)c1c([O-])cccc1Cl ZINC000736684687 574065668 /nfs/dbraw/zinc/06/56/68/574065668.db2.gz YNPDNFGEPSPABC-UHFFFAOYSA-N -1 1 259.758 2.529 20 0 CFADMM CC(C)=CC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744466814 574076091 /nfs/dbraw/zinc/07/60/91/574076091.db2.gz VTWYDZBPPYLOKB-UHFFFAOYSA-N -1 1 262.305 2.647 20 0 CFADMM O=C(OC[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000730362091 574077206 /nfs/dbraw/zinc/07/72/06/574077206.db2.gz KKDHSXXQAJWBDI-ZETCQYMHSA-N -1 1 291.130 2.892 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)CSC(C)C)c1 ZINC000744686405 574083593 /nfs/dbraw/zinc/08/35/93/574083593.db2.gz CLGDGJUFKCEWRW-UHFFFAOYSA-N -1 1 296.388 2.822 20 0 CFADMM CC[C@@H](C)N(C)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000736883307 574083831 /nfs/dbraw/zinc/08/38/31/574083831.db2.gz MHHLAPKEIHWTFZ-MRVPVSSYSA-N -1 1 298.408 2.732 20 0 CFADMM CCC[C@H](CCO)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000223771318 574087233 /nfs/dbraw/zinc/08/72/33/574087233.db2.gz XCVJEDXXYYSAAX-SNVBAGLBSA-N -1 1 285.771 2.574 20 0 CFADMM C[C@@H]1CC[C@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672344204 574098065 /nfs/dbraw/zinc/09/80/65/574098065.db2.gz BPRJOTOVTBTYNO-GMSGAONNSA-N -1 1 273.254 2.939 20 0 CFADMM C[C@@H]1CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672344206 574098309 /nfs/dbraw/zinc/09/83/09/574098309.db2.gz BPRJOTOVTBTYNO-XCBNKYQSSA-N -1 1 273.254 2.939 20 0 CFADMM CC1(C)C[C@H](NC(=O)c2c([O-])cccc2Cl)CCO1 ZINC000754514364 574099661 /nfs/dbraw/zinc/09/96/61/574099661.db2.gz XLIXGYCZVUYDJB-SECBINFHSA-N -1 1 283.755 2.733 20 0 CFADMM C[C@H]1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000737196708 574118267 /nfs/dbraw/zinc/11/82/67/574118267.db2.gz ZISLRJAMUKEQKF-LJGSYFOKSA-N -1 1 298.803 2.967 20 0 CFADMM C[C@H]1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000737196708 574118269 /nfs/dbraw/zinc/11/82/69/574118269.db2.gz ZISLRJAMUKEQKF-LJGSYFOKSA-N -1 1 298.803 2.967 20 0 CFADMM Cc1cc(C)cc(CCNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000737251166 574121503 /nfs/dbraw/zinc/12/15/03/574121503.db2.gz BGPQMNYNJATWBC-UHFFFAOYSA-N -1 1 294.362 2.533 20 0 CFADMM Cc1cc(C)cc(CCNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000737251166 574121507 /nfs/dbraw/zinc/12/15/07/574121507.db2.gz BGPQMNYNJATWBC-UHFFFAOYSA-N -1 1 294.362 2.533 20 0 CFADMM CC[C@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000732303031 574149354 /nfs/dbraw/zinc/14/93/54/574149354.db2.gz ZKHHEUZNMOVVSP-UWVGGRQHSA-N -1 1 283.755 2.685 20 0 CFADMM CCc1nnc([C@H](C)OC(=O)c2c([O-])cc(F)cc2F)o1 ZINC000732332899 574152207 /nfs/dbraw/zinc/15/22/07/574152207.db2.gz YFMCZOFJBKKZMU-LURJTMIESA-N -1 1 298.245 2.534 20 0 CFADMM Cc1nonc1[N-]C(=O)c1cc(-c2ccccc2)ns1 ZINC000746858518 574168122 /nfs/dbraw/zinc/16/81/22/574168122.db2.gz YYYNKAAZXFRWFN-UHFFFAOYSA-N -1 1 286.316 2.754 20 0 CFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000738534320 574172781 /nfs/dbraw/zinc/17/27/81/574172781.db2.gz YZZUKGMILJIRIW-VXGBXAGGSA-N -1 1 290.363 2.505 20 0 CFADMM CCc1cc(CNC(=O)c2ccc3ccccc3c2[O-])[nH]n1 ZINC000732834660 574175030 /nfs/dbraw/zinc/17/50/30/574175030.db2.gz DFXDBQPIGJTQSM-UHFFFAOYSA-N -1 1 295.342 2.761 20 0 CFADMM Cc1nc(CN2CCCC[C@H]2CC(=O)[O-])nc2ccccc12 ZINC000738858437 574187935 /nfs/dbraw/zinc/18/79/35/574187935.db2.gz RTZRZSSSLBVVDB-ZDUSSCGKSA-N -1 1 299.374 2.767 20 0 CFADMM C[C@H](c1ccc(F)c(F)c1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739059750 574195184 /nfs/dbraw/zinc/19/51/84/574195184.db2.gz VXPWOYKJCLWVAD-NXEZZACHSA-N -1 1 284.306 2.615 20 0 CFADMM C[C@@H](c1ccccc1F)N1CCCN(C(=O)[O-])CC1 ZINC000739057549 574195325 /nfs/dbraw/zinc/19/53/25/574195325.db2.gz CVNHCFXNHSJSRH-NSHDSACASA-N -1 1 266.316 2.572 20 0 CFADMM C[C@H](c1ccccc1F)N1CCCN(C(=O)[O-])CC1 ZINC000739057546 574195401 /nfs/dbraw/zinc/19/54/01/574195401.db2.gz CVNHCFXNHSJSRH-LLVKDONJSA-N -1 1 266.316 2.572 20 0 CFADMM C[C@@H](c1ccc(Cl)cc1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739055319 574195717 /nfs/dbraw/zinc/19/57/17/574195717.db2.gz WNEKYVKIGPTKNC-JOYOIKCWSA-N -1 1 268.744 2.743 20 0 CFADMM Cc1cccc(C)c1CNCc1ccc(C(=O)[O-])o1 ZINC000756285757 574221217 /nfs/dbraw/zinc/22/12/17/574221217.db2.gz OFMVOQOJRSHMJN-UHFFFAOYSA-N -1 1 259.305 2.884 20 0 CFADMM CN(CCCNCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000739685866 574223089 /nfs/dbraw/zinc/22/30/89/574223089.db2.gz YWTLIIHTJJIIEF-UHFFFAOYSA-N -1 1 285.413 2.530 20 0 CFADMM Cc1[nH]c(SCCNC(=O)[O-])nc1Cc1ccccc1 ZINC000740034206 574232987 /nfs/dbraw/zinc/23/29/87/574232987.db2.gz KXFACGQAVKPMBA-UHFFFAOYSA-N -1 1 291.376 2.669 20 0 CFADMM Cc1nc(CN[C@]2(CNC(=O)[O-])CCCC[C@@H]2C)oc1C ZINC000740222962 574243710 /nfs/dbraw/zinc/24/37/10/574243710.db2.gz FSXSPSFXKIPFNL-BONVTDFDSA-N -1 1 295.383 2.598 20 0 CFADMM CC(C)[C@H](C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000733579505 574247589 /nfs/dbraw/zinc/24/75/89/574247589.db2.gz RDMBVRVYVAAXPL-JTQLQIEISA-N -1 1 290.315 2.834 20 0 CFADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)C1CCC1 ZINC000756810338 574264775 /nfs/dbraw/zinc/26/47/75/574264775.db2.gz VZHKYRJNTBTFCK-MRVPVSSYSA-N -1 1 253.729 2.964 20 0 CFADMM C[C@H]1Cc2ccccc2[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000749388081 574292818 /nfs/dbraw/zinc/29/28/18/574292818.db2.gz PRQLINRDCBBKRN-XVKPBYJWSA-N -1 1 275.245 2.937 20 0 CFADMM CC(C)[C@H](C)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000735711939 574334022 /nfs/dbraw/zinc/33/40/22/574334022.db2.gz ZJYSAGDVRULPHZ-JTQLQIEISA-N -1 1 282.351 2.871 20 0 CFADMM CC(C)[C@H](C)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000735711939 574334025 /nfs/dbraw/zinc/33/40/25/574334025.db2.gz ZJYSAGDVRULPHZ-JTQLQIEISA-N -1 1 282.351 2.871 20 0 CFADMM CC(C)[C@H]1CCC[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000735747743 574334700 /nfs/dbraw/zinc/33/47/00/574334700.db2.gz GTWIAVXRDAFRMP-RYUDHWBXSA-N -1 1 286.383 2.888 20 0 CFADMM CC(C)[C@H]1CCC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000735747743 574334701 /nfs/dbraw/zinc/33/47/01/574334701.db2.gz GTWIAVXRDAFRMP-RYUDHWBXSA-N -1 1 286.383 2.888 20 0 CFADMM C[C@H](CCc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000735993429 574346887 /nfs/dbraw/zinc/34/68/87/574346887.db2.gz RSZHTMZAZILOGY-GFCCVEGCSA-N -1 1 294.362 2.695 20 0 CFADMM C[C@H](CCc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000735993429 574346888 /nfs/dbraw/zinc/34/68/88/574346888.db2.gz RSZHTMZAZILOGY-GFCCVEGCSA-N -1 1 294.362 2.695 20 0 CFADMM C[C@H]1CCC[C@H](CCNc2cccc(-c3nnn[n-]3)n2)C1 ZINC000736247136 574357356 /nfs/dbraw/zinc/35/73/56/574357356.db2.gz AIFIKSDVKRZAMW-NWDGAFQWSA-N -1 1 286.383 2.890 20 0 CFADMM C[C@H]1CCC[C@H](CCNc2cccc(-c3nn[n-]n3)n2)C1 ZINC000736247136 574357359 /nfs/dbraw/zinc/35/73/59/574357359.db2.gz AIFIKSDVKRZAMW-NWDGAFQWSA-N -1 1 286.383 2.890 20 0 CFADMM O=C(N[C@@H]1CCCC1(F)F)c1cc(Cl)ccc1[O-] ZINC000398355915 574364844 /nfs/dbraw/zinc/36/48/44/574364844.db2.gz ZONCLHBLBOORAS-SNVBAGLBSA-N -1 1 275.682 2.963 20 0 CFADMM CSC(C)(C)CNC(=O)c1c([O-])cccc1Cl ZINC000743821865 574372899 /nfs/dbraw/zinc/37/28/99/574372899.db2.gz WFCIQFSZUKGEPC-UHFFFAOYSA-N -1 1 273.785 2.917 20 0 CFADMM O=C(Nc1ccncc1[O-])c1cc2cccc(Cl)c2o1 ZINC000753340924 574401533 /nfs/dbraw/zinc/40/15/33/574401533.db2.gz IOQKEMCZJQOESR-UHFFFAOYSA-N -1 1 288.690 2.861 20 0 CFADMM Cc1nc(CN2CCC[C@H](CC(=O)[O-])C2)nc2ccccc12 ZINC000818994734 597072716 /nfs/dbraw/zinc/07/27/16/597072716.db2.gz RMDMJWWARNJGEK-CYBMUJFWSA-N -1 1 299.374 2.625 20 0 CFADMM c1cc(-c2nnn[n-]2)oc1CNc1cccc2cccnc21 ZINC000823815799 607308541 /nfs/dbraw/zinc/30/85/41/607308541.db2.gz JOVWSYOMZMLVEB-UHFFFAOYSA-N -1 1 292.302 2.620 20 0 CFADMM c1cc(-c2nn[n-]n2)oc1CNc1cccc2cccnc21 ZINC000823815799 607308542 /nfs/dbraw/zinc/30/85/42/607308542.db2.gz JOVWSYOMZMLVEB-UHFFFAOYSA-N -1 1 292.302 2.620 20 0 CFADMM CC[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1 ZINC000900123078 620639748 /nfs/dbraw/zinc/63/97/48/620639748.db2.gz HDJNNHXJJBTFBK-AWEZNQCLSA-N -1 1 297.358 2.941 20 0 CFADMM C[C@H](NC1CCC(C(=O)[O-])CC1)c1nc(C(C)(C)C)no1 ZINC000820136262 598135673 /nfs/dbraw/zinc/13/56/73/598135673.db2.gz NMPPNXSVBVZVCT-WHXUTIOJSA-N -1 1 295.383 2.661 20 0 CFADMM Cc1cc(CN2CCC[C@@H](CC(=O)[O-])C2)cnc1Cl ZINC000820976639 598151597 /nfs/dbraw/zinc/15/15/97/598151597.db2.gz NLUMLNJFFDDALU-NSHDSACASA-N -1 1 282.771 2.730 20 0 CFADMM O=C([O-])c1cccc(CN[C@@H]2COc3ccccc32)c1 ZINC000236490316 598192173 /nfs/dbraw/zinc/19/21/73/598192173.db2.gz MDQQDDBXMYIYMF-CQSZACIVSA-N -1 1 269.300 2.608 20 0 CFADMM O=C([O-])CNC1(c2c(Cl)cccc2Cl)CC1 ZINC000821534969 598210116 /nfs/dbraw/zinc/21/01/16/598210116.db2.gz FHYKBFGGWKDSTR-UHFFFAOYSA-N -1 1 260.120 2.657 20 0 CFADMM CC[C@H](C)[C@H](NCc1nc2c(s1)CCCC2)C(=O)[O-] ZINC000820465806 598219853 /nfs/dbraw/zinc/21/98/53/598219853.db2.gz UFVSVTCUGXRFJS-ZANVPECISA-N -1 1 282.409 2.611 20 0 CFADMM C[C@H]1CCC[C@H](N(C)C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900142905 620642123 /nfs/dbraw/zinc/64/21/23/620642123.db2.gz XZGITSDTYCEYHC-JQWIXIFHSA-N -1 1 289.379 2.710 20 0 CFADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC000095221912 599578108 /nfs/dbraw/zinc/57/81/08/599578108.db2.gz MFFKMPXGWQLWIQ-JTQLQIEISA-N -1 1 272.356 2.642 20 0 CFADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC000095221912 599578109 /nfs/dbraw/zinc/57/81/09/599578109.db2.gz MFFKMPXGWQLWIQ-JTQLQIEISA-N -1 1 272.356 2.642 20 0 CFADMM CN(Cc1ccco1)Cc1ccc(F)cc1C(=O)[O-] ZINC000071264757 600082173 /nfs/dbraw/zinc/08/21/73/600082173.db2.gz TWCZWTZNJDUSFL-UHFFFAOYSA-N -1 1 263.268 2.749 20 0 CFADMM CCC[C@](C)(NCC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000036808260 600154561 /nfs/dbraw/zinc/15/45/61/600154561.db2.gz OJDJVPDYSABSBI-AWEZNQCLSA-N -1 1 298.770 2.512 20 0 CFADMM CC(C)CN(CCC(=O)[O-])Cc1nc(Cl)cs1 ZINC000901592685 620865071 /nfs/dbraw/zinc/86/50/71/620865071.db2.gz IBYKNCWDHBJVGJ-UHFFFAOYSA-N -1 1 276.789 2.729 20 0 CFADMM O=C([O-])c1ccc2c(c1)CN(CCCCCCCO)C2 ZINC000833326335 600828388 /nfs/dbraw/zinc/82/83/88/600828388.db2.gz OSBLXCYHSCNANY-UHFFFAOYSA-N -1 1 277.364 2.643 20 0 CFADMM O=C([O-])[C@H](Sc1nnc(C2CC2)[nH]1)c1ccccc1F ZINC000833169579 600836641 /nfs/dbraw/zinc/83/66/41/600836641.db2.gz KHIISJQKAUQXEA-SNVBAGLBSA-N -1 1 293.323 2.739 20 0 CFADMM CCCC[C@@H](Sc1nc(-c2ccccn2)n[nH]1)C(=O)[O-] ZINC000829295676 600840214 /nfs/dbraw/zinc/84/02/14/600840214.db2.gz JORHCNUTAGNNKX-SNVBAGLBSA-N -1 1 292.364 2.602 20 0 CFADMM Cc1[nH]c(C(=O)CN2C[C@@H](C)CC[C@H]2C)c(C)c1C(=O)[O-] ZINC000832843826 601052055 /nfs/dbraw/zinc/05/20/55/601052055.db2.gz HKRXLHAOLDNUPK-VHSXEESVSA-N -1 1 292.379 2.633 20 0 CFADMM Cc1ccc(N(C)Cc2ccnc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826289858 607487388 /nfs/dbraw/zinc/48/73/88/607487388.db2.gz PPFMRWYHKXHSOH-UHFFFAOYSA-N -1 1 294.362 2.515 20 0 CFADMM Cc1ccc(N(C)Cc2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826289858 607487390 /nfs/dbraw/zinc/48/73/90/607487390.db2.gz PPFMRWYHKXHSOH-UHFFFAOYSA-N -1 1 294.362 2.515 20 0 CFADMM C/C(=C\C[N@H+](C)Cc1cccc(Br)c1)C(=O)[O-] ZINC000214707692 601158421 /nfs/dbraw/zinc/15/84/21/601158421.db2.gz UFVUEUFYDRRVPP-UXBLZVDNSA-N -1 1 298.180 2.912 20 0 CFADMM CC[C@@](C)(NC/C=C(\C)C(=O)[O-])c1nc(C)cs1 ZINC000828692361 601179249 /nfs/dbraw/zinc/17/92/49/601179249.db2.gz IKOTZJNFKPCXOU-YSKGHYERSA-N -1 1 268.382 2.697 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccnn1C1CCC1 ZINC000935598856 649920871 /nfs/dbraw/zinc/92/08/71/649920871.db2.gz ZBDXCMKLMIIYGG-UHFFFAOYSA-N -1 1 292.726 2.614 20 0 CFADMM C/C(=C\CNC1(c2nc(C)cs2)CCCC1)C(=O)[O-] ZINC000825747751 601321583 /nfs/dbraw/zinc/32/15/83/601321583.db2.gz XZWVZZXSQBBXCG-BJMVGYQFSA-N -1 1 280.393 2.841 20 0 CFADMM CO[C@H](CN[C@@H](C(=O)[O-])c1cccs1)CC(C)C ZINC000901598258 620870806 /nfs/dbraw/zinc/87/08/06/620870806.db2.gz LSCIMVBUOVPSPI-CMPLNLGQSA-N -1 1 271.382 2.525 20 0 CFADMM CC[C@@](C)(CC(=O)[O-])NCc1nc(-c2ccsc2)no1 ZINC000828672320 601556105 /nfs/dbraw/zinc/55/61/05/601556105.db2.gz PXJDKRBMRHEPMT-ZDUSSCGKSA-N -1 1 295.364 2.531 20 0 CFADMM C[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)c2ccccc21 ZINC000900219321 620651755 /nfs/dbraw/zinc/65/17/55/620651755.db2.gz SWMCTYQTSGCDKD-SNVBAGLBSA-N -1 1 295.342 2.824 20 0 CFADMM C[C@H](c1ccc(F)cc1)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739057740 601966919 /nfs/dbraw/zinc/96/69/19/601966919.db2.gz NVPOOHVXSOHDNT-RISCZKNCSA-N -1 1 280.343 2.961 20 0 CFADMM N#Cc1cc(CN2CCC(CCC(=O)[O-])CC2)ccc1F ZINC000236418268 602237592 /nfs/dbraw/zinc/23/75/92/602237592.db2.gz DZRHHEUZHIXRIH-UHFFFAOYSA-N -1 1 290.338 2.774 20 0 CFADMM Cc1ccoc1CNC[C@H](NC(=O)[O-])c1ccccc1 ZINC000830617175 603175866 /nfs/dbraw/zinc/17/58/66/603175866.db2.gz YQQQWARVDRYCLC-ZDUSSCGKSA-N -1 1 274.320 2.687 20 0 CFADMM Cc1ccc(N(C)C(=O)c2cnc(C3CC3)[n-]c2=O)cc1C ZINC000900290610 620658229 /nfs/dbraw/zinc/65/82/29/620658229.db2.gz REEMPEIVRNMVOM-UHFFFAOYSA-N -1 1 297.358 2.953 20 0 CFADMM Cc1ccc(CNCc2ccc(NC(=O)[O-])nc2)cc1F ZINC000830324155 603533080 /nfs/dbraw/zinc/53/30/80/603533080.db2.gz NYFDSTHYJMPKPL-UHFFFAOYSA-N -1 1 289.310 2.909 20 0 CFADMM CCC(CC)c1nnc([N-]C(=O)c2n[nH]cc2F)s1 ZINC000900317219 620658919 /nfs/dbraw/zinc/65/89/19/620658919.db2.gz HBSLWAUVLAHCMM-UHFFFAOYSA-N -1 1 283.332 2.556 20 0 CFADMM CC(C)c1csc([N-]C(=O)c2nnc(C3CC3)o2)n1 ZINC000900326137 620662091 /nfs/dbraw/zinc/66/20/91/620662091.db2.gz ACDGTGGPVNNBQJ-UHFFFAOYSA-N -1 1 278.337 2.779 20 0 CFADMM CN(Cc1ccncc1Cl)C1CCC(NC(=O)[O-])CC1 ZINC000828410630 603793161 /nfs/dbraw/zinc/79/31/61/603793161.db2.gz IXSBXDPHPHGGOJ-UHFFFAOYSA-N -1 1 297.786 2.746 20 0 CFADMM O=C([O-])NC[C@H]1CCCN1Cc1cccc(Cl)c1 ZINC000832573845 604072123 /nfs/dbraw/zinc/07/21/23/604072123.db2.gz UVHRYIYKBDOBKC-GFCCVEGCSA-N -1 1 268.744 2.572 20 0 CFADMM O=C([O-])NC[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000832573717 604074262 /nfs/dbraw/zinc/07/42/62/604074262.db2.gz QYDVESXWIPUIED-GFCCVEGCSA-N -1 1 268.744 2.572 20 0 CFADMM C[C@H](N[C@H](CNC(=O)[O-])C1CC1)c1c(F)cccc1F ZINC000825473360 604361433 /nfs/dbraw/zinc/36/14/33/604361433.db2.gz PVUDQRYNDNRTNA-QPUJVOFHSA-N -1 1 284.306 2.662 20 0 CFADMM C/C(=C\c1ccccc1)CN1CC[C@](F)(C(=O)[O-])C1 ZINC000833386053 604681996 /nfs/dbraw/zinc/68/19/96/604681996.db2.gz MGMPTTVDUNFPMN-SAAWKEMMSA-N -1 1 263.312 2.589 20 0 CFADMM CCC[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)N(C)C ZINC000833648262 604713287 /nfs/dbraw/zinc/71/32/87/604713287.db2.gz QKDIDHASTLPGSS-GFCCVEGCSA-N -1 1 298.770 2.707 20 0 CFADMM CC(=O)c1cc(F)ccc1[N-]S(=O)(=O)CCC1CC1 ZINC000901739834 620907280 /nfs/dbraw/zinc/90/72/80/620907280.db2.gz YWNZRIXEQYJSLT-UHFFFAOYSA-N -1 1 285.340 2.570 20 0 CFADMM C[C@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccoc1 ZINC000825502150 604941881 /nfs/dbraw/zinc/94/18/81/604941881.db2.gz HGUUUZCHCZZAQA-LBPRGKRZSA-N -1 1 288.347 2.941 20 0 CFADMM C[C@@H](c1ccccc1Cl)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833548614 604983921 /nfs/dbraw/zinc/98/39/21/604983921.db2.gz FRZAHLMHCUNBPU-IINYFYTJSA-N -1 1 297.782 2.559 20 0 CFADMM C/C(=C\CN1CC[C@@H](Oc2ccccc2Cl)C1)C(=O)[O-] ZINC000833383006 605086749 /nfs/dbraw/zinc/08/67/49/605086749.db2.gz MGAQRORGGANIHX-IGEMTJHASA-N -1 1 295.766 2.824 20 0 CFADMM CCc1cnccc1[C@H](C)NCc1occc1C(=O)[O-] ZINC000833675469 605271106 /nfs/dbraw/zinc/27/11/06/605271106.db2.gz YWALEZQQZHHFDS-JTQLQIEISA-N -1 1 274.320 2.786 20 0 CFADMM Cc1ccc(N(C)C(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000900491722 620682578 /nfs/dbraw/zinc/68/25/78/620682578.db2.gz KWPPOTXYHWMTJS-UHFFFAOYSA-N -1 1 283.331 2.645 20 0 CFADMM C[C@H](c1nc2ccccc2o1)N1CCC(C(=O)[O-])CC1 ZINC000820199649 605317859 /nfs/dbraw/zinc/31/78/59/605317859.db2.gz CVUQVHUMBWKJBL-SNVBAGLBSA-N -1 1 274.320 2.685 20 0 CFADMM O=C([O-])N1CCCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000834110497 605477881 /nfs/dbraw/zinc/47/78/81/605477881.db2.gz RFWCBHOHXLMSBF-HNQUOIGGSA-N -1 1 278.327 2.525 20 0 CFADMM CCCC[C@H](CNC(=O)[O-])N[C@H](C)c1csc(C)n1 ZINC000826806720 605479551 /nfs/dbraw/zinc/47/95/51/605479551.db2.gz PVIPZEWQFFYGJK-MWLCHTKSSA-N -1 1 285.413 2.929 20 0 CFADMM O=C([O-])NC[C@H]1CCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000834223837 605572282 /nfs/dbraw/zinc/57/22/82/605572282.db2.gz FFOVKAIKKFEDKA-SNVBAGLBSA-N -1 1 286.734 2.569 20 0 CFADMM O=C([O-])N1CC[C@@H](CN2CCc3ccc(Cl)cc3C2)C1 ZINC000834079048 605659044 /nfs/dbraw/zinc/65/90/44/605659044.db2.gz KGPTTZPKNSHLMH-NSHDSACASA-N -1 1 294.782 2.698 20 0 CFADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833603530 605730947 /nfs/dbraw/zinc/73/09/47/605730947.db2.gz BNMCEZSMLWGPJL-SCZZXKLOSA-N -1 1 290.285 2.876 20 0 CFADMM O=C([O-])NC[C@H]1CCN(Cc2cccc(F)c2Cl)C1 ZINC000834225901 605807013 /nfs/dbraw/zinc/80/70/13/605807013.db2.gz OEXUSRYTVQPPOF-SECBINFHSA-N -1 1 286.734 2.569 20 0 CFADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1Cc1ccc(Cl)s1 ZINC000833834310 605898288 /nfs/dbraw/zinc/89/82/88/605898288.db2.gz NBUDNFOSCMLNNU-RKDXNWHRSA-N -1 1 288.800 2.880 20 0 CFADMM O=C([O-])N[C@H]1CCC[C@H]1NCc1c(F)cccc1Cl ZINC000834176031 605982408 /nfs/dbraw/zinc/98/24/08/605982408.db2.gz QYYQNXRUBAHPRV-NEPJUHHUSA-N -1 1 286.734 2.757 20 0 CFADMM C[C@H]1CCCCN1c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820705533 606440083 /nfs/dbraw/zinc/44/00/83/606440083.db2.gz USGMCIWTSWKXFO-NSHDSACASA-N -1 1 294.362 2.794 20 0 CFADMM C[C@H]1CCCCN1c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820705533 606440085 /nfs/dbraw/zinc/44/00/85/606440085.db2.gz USGMCIWTSWKXFO-NSHDSACASA-N -1 1 294.362 2.794 20 0 CFADMM CCCC[C@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000821039837 606924831 /nfs/dbraw/zinc/92/48/31/606924831.db2.gz HNFBJESOZNPLNS-QMMMGPOBSA-N -1 1 280.353 2.664 20 0 CFADMM c1cc(SC2CCCCC2)nc(-c2nnn[n-]2)c1 ZINC000095163585 607894163 /nfs/dbraw/zinc/89/41/63/607894163.db2.gz ALVYEFJBYKRIME-UHFFFAOYSA-N -1 1 261.354 2.687 20 0 CFADMM c1cc(SC2CCCCC2)nc(-c2nn[n-]n2)c1 ZINC000095163585 607894164 /nfs/dbraw/zinc/89/41/64/607894164.db2.gz ALVYEFJBYKRIME-UHFFFAOYSA-N -1 1 261.354 2.687 20 0 CFADMM Cc1ccc(Oc2cccc(-c3nnn[n-]3)n2)cc1C ZINC000095323939 607894476 /nfs/dbraw/zinc/89/44/76/607894476.db2.gz BXWKEPSCIWKYRA-UHFFFAOYSA-N -1 1 267.292 2.671 20 0 CFADMM Cc1ccc(Oc2cccc(-c3nn[n-]n3)n2)cc1C ZINC000095323939 607894477 /nfs/dbraw/zinc/89/44/77/607894477.db2.gz BXWKEPSCIWKYRA-UHFFFAOYSA-N -1 1 267.292 2.671 20 0 CFADMM Cc1ccc(C)c(Oc2cccc(-c3nnn[n-]3)n2)c1 ZINC000095322541 607894636 /nfs/dbraw/zinc/89/46/36/607894636.db2.gz XDBVLJUVNDWFIA-UHFFFAOYSA-N -1 1 267.292 2.671 20 0 CFADMM Cc1ccc(C)c(Oc2cccc(-c3nn[n-]n3)n2)c1 ZINC000095322541 607894637 /nfs/dbraw/zinc/89/46/37/607894637.db2.gz XDBVLJUVNDWFIA-UHFFFAOYSA-N -1 1 267.292 2.671 20 0 CFADMM C[C@H](c1cccs1)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000095230559 607895927 /nfs/dbraw/zinc/89/59/27/607895927.db2.gz HKZMEORJUXABFT-SECBINFHSA-N -1 1 286.364 2.521 20 0 CFADMM C[C@H](c1cccs1)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000095230559 607895928 /nfs/dbraw/zinc/89/59/28/607895928.db2.gz HKZMEORJUXABFT-SECBINFHSA-N -1 1 286.364 2.521 20 0 CFADMM Cc1ccc(F)c(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000826289919 608112447 /nfs/dbraw/zinc/11/24/47/608112447.db2.gz RQAFZPPZBGXGOO-UHFFFAOYSA-N -1 1 289.339 2.988 20 0 CFADMM c1cc(-c2nnn[n-]2)oc1CNc1ccc(C2CC2)cc1 ZINC000826515278 608252914 /nfs/dbraw/zinc/25/29/14/608252914.db2.gz TVXBPGYXYRELRQ-UHFFFAOYSA-N -1 1 281.319 2.949 20 0 CFADMM c1cc(-c2nn[n-]n2)oc1CNc1ccc(C2CC2)cc1 ZINC000826515278 608252916 /nfs/dbraw/zinc/25/29/16/608252916.db2.gz TVXBPGYXYRELRQ-UHFFFAOYSA-N -1 1 281.319 2.949 20 0 CFADMM CCc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1CC ZINC000825717456 608412524 /nfs/dbraw/zinc/41/25/24/608412524.db2.gz LTFWALDLPFOJGH-UHFFFAOYSA-N -1 1 295.350 2.525 20 0 CFADMM CCc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1CC ZINC000825717456 608412525 /nfs/dbraw/zinc/41/25/25/608412525.db2.gz LTFWALDLPFOJGH-UHFFFAOYSA-N -1 1 295.350 2.525 20 0 CFADMM Cc1cc(C)cc(N(C)Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000826264656 609173890 /nfs/dbraw/zinc/17/38/90/609173890.db2.gz VTLGHOVXOUBFKR-UHFFFAOYSA-N -1 1 283.335 2.713 20 0 CFADMM Cc1cc(C)cc(N(C)Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000826264656 609173892 /nfs/dbraw/zinc/17/38/92/609173892.db2.gz VTLGHOVXOUBFKR-UHFFFAOYSA-N -1 1 283.335 2.713 20 0 CFADMM CCN(Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000825435339 609200797 /nfs/dbraw/zinc/20/07/97/609200797.db2.gz UUXOUGLHWXKVMV-UHFFFAOYSA-N -1 1 285.376 2.955 20 0 CFADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900739850 620709168 /nfs/dbraw/zinc/70/91/68/620709168.db2.gz SQHSRKUYUWEKNZ-IWIIMEHWSA-N -1 1 289.379 2.614 20 0 CFADMM C[C@@H]1CCC[C@H](C)N(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900826728 620717815 /nfs/dbraw/zinc/71/78/15/620717815.db2.gz CFPNPSSLEUEZPN-MNOVXSKESA-N -1 1 289.379 2.710 20 0 CFADMM C[C@H]1CCC[C@H](C)N(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900826730 620717997 /nfs/dbraw/zinc/71/79/97/620717997.db2.gz CFPNPSSLEUEZPN-QWRGUYRKSA-N -1 1 289.379 2.710 20 0 CFADMM C[C@H]1CN(C(=O)c2c([O-])cnc3c(F)cccc32)C[C@@H]1C ZINC000900894503 620726559 /nfs/dbraw/zinc/72/65/59/620726559.db2.gz IOYUNHPXMIMLBU-UWVGGRQHSA-N -1 1 288.322 2.808 20 0 CFADMM CCC1(CC)CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000901010183 620741419 /nfs/dbraw/zinc/74/14/19/620741419.db2.gz WIDWDCAAHVNJIR-UHFFFAOYSA-N -1 1 289.379 2.712 20 0 CFADMM C[C@]1(C2CC2)COCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000890581654 617672914 /nfs/dbraw/zinc/67/29/14/617672914.db2.gz NKOOYXWIIBRKEM-OAHLLOKOSA-N -1 1 295.766 2.687 20 0 CFADMM Cc1csc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000891616254 617686304 /nfs/dbraw/zinc/68/63/04/617686304.db2.gz ZLGRJJIUEQFQDJ-UHFFFAOYSA-N -1 1 289.360 2.683 20 0 CFADMM CCC[C@H]1CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000901026987 620743823 /nfs/dbraw/zinc/74/38/23/620743823.db2.gz ZGANYNZUBLGUPE-NSHDSACASA-N -1 1 289.379 2.712 20 0 CFADMM COC1([C@H](C)NC(=O)c2c([O-])cccc2Cl)CCC1 ZINC000840532475 617757119 /nfs/dbraw/zinc/75/71/19/617757119.db2.gz KIXIYJAHNBUCDT-VIFPVBQESA-N -1 1 283.755 2.733 20 0 CFADMM Cc1cc(C)c(CC(=O)[N-]OCc2cccnc2)s1 ZINC000901162831 620759857 /nfs/dbraw/zinc/75/98/57/620759857.db2.gz PKJIETMJMCJMOP-UHFFFAOYSA-N -1 1 276.361 2.550 20 0 CFADMM C[C@H](O)c1cc(NC(=O)c2cc(F)ccc2[O-])ccc1F ZINC000804802545 617890170 /nfs/dbraw/zinc/89/01/70/617890170.db2.gz HPFZPNASVIZOEZ-QMMMGPOBSA-N -1 1 293.269 2.976 20 0 CFADMM O=C(N[C@H](c1ccncc1)C1CC1)c1ccc([O-])cc1F ZINC000890915216 617945856 /nfs/dbraw/zinc/94/58/56/617945856.db2.gz ZPFXYCPUIFSAJK-HNNXBMFYSA-N -1 1 286.306 2.807 20 0 CFADMM CCc1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2)s1 ZINC000121770540 617985972 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CFADMM CCC(=O)c1ccc([O-])cc1O[C@@H]1CCCOC1 ZINC001229474174 776822978 /nfs/dbraw/zinc/82/29/78/776822978.db2.gz BVACYOVWUTYKDT-LLVKDONJSA-N -1 1 250.294 2.543 20 0 CFADMM CCC(=O)c1ccc([O-])cc1OC[C@H](C)OC[C@H](C)OC ZINC001229477877 776825270 /nfs/dbraw/zinc/82/52/70/776825270.db2.gz QBKTUWOTCUBLFK-RYUDHWBXSA-N -1 1 296.363 2.804 20 0 CFADMM O=C1[N-]C(=O)[C@H](Cc2ccc(OC3CC=CC3)cc2)S1 ZINC001229616101 776858072 /nfs/dbraw/zinc/85/80/72/776858072.db2.gz GEHOZCGDWKEJJK-ZDUSSCGKSA-N -1 1 289.356 2.678 20 0 CFADMM CC[C@@H](Oc1nc(=O)[n-]cc1C(=O)OC)C1CCCCC1 ZINC001229871345 776908509 /nfs/dbraw/zinc/90/85/09/776908509.db2.gz VEGPEBBFWAAMRF-GFCCVEGCSA-N -1 1 294.351 2.707 20 0 CFADMM CCCCC[C@H](C)Oc1nc(C)[n-]c(=O)c1OC ZINC001230020943 776942029 /nfs/dbraw/zinc/94/20/29/776942029.db2.gz KLHQJOKTBUZMDB-VIFPVBQESA-N -1 1 254.330 2.847 20 0 CFADMM COC(=O)c1c[n-]c(O[C@H]2CCc3c2cccc3C)n1 ZINC001230280597 776970792 /nfs/dbraw/zinc/97/07/92/776970792.db2.gz WPOSMRHGACFOAA-ZDUSSCGKSA-N -1 1 272.304 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/nfs/dbraw/zinc/76/98/17/777769817.db2.gz JIMQQUOTXCTDRJ-JTQLQIEISA-N -1 1 258.724 2.765 20 0 CFADMM [O-]c1cnc(Cl)cc1CN1CCOc2ccccc2C1 ZINC001233035583 777772111 /nfs/dbraw/zinc/77/21/11/777772111.db2.gz GIYMGAFOQFOUPD-UHFFFAOYSA-N -1 1 290.750 2.835 20 0 CFADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CCCC[C@H]1F ZINC001227171893 777777171 /nfs/dbraw/zinc/77/71/71/777777171.db2.gz HXQSCXGOEZJKBA-TZMCWYRMSA-N -1 1 282.311 2.881 20 0 CFADMM CCCNC(=O)[C@H]1CCCCN1Cc1ccc([S-])cc1 ZINC001233261580 777852170 /nfs/dbraw/zinc/85/21/70/777852170.db2.gz VAPJNSGSYLYGJF-OAHLLOKOSA-N -1 1 292.448 2.856 20 0 CFADMM CC[C@@H](C)C[C@@H](CC)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233757917 778066007 /nfs/dbraw/zinc/06/60/07/778066007.db2.gz HSGKTZAUMCRRFE-NXEZZACHSA-N -1 1 282.340 2.562 20 0 CFADMM COC(=O)c1nc[n-]c(=O)c1O[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001233758580 778066345 /nfs/dbraw/zinc/06/63/45/778066345.db2.gz LIYRSHMCXOMUNX-VHSXEESVSA-N -1 1 294.351 2.562 20 0 CFADMM CCC[C@@H](C)[C@@H](CC)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233763407 778069527 /nfs/dbraw/zinc/06/95/27/778069527.db2.gz XMWFUTRINOKRPF-NXEZZACHSA-N -1 1 282.340 2.562 20 0 CFADMM COC(=O)c1cccc2[n-]c(O[C@@H]3CCC[C@@H]3C)nc21 ZINC001234039243 778148995 /nfs/dbraw/zinc/14/89/95/778148995.db2.gz LIIGDDJLUUABCX-JOYOIKCWSA-N -1 1 274.320 2.917 20 0 CFADMM COC(=O)c1cccc2nc(O[C@@H]3CCC[C@@H]3C)[n-]c21 ZINC001234039243 778148996 /nfs/dbraw/zinc/14/89/96/778148996.db2.gz LIIGDDJLUUABCX-JOYOIKCWSA-N -1 1 274.320 2.917 20 0 CFADMM COC(=O)c1cccc2[n-]c(O[C@@H]3C[C@H]4C[C@H]4C3)nc21 ZINC001234044857 778150679 /nfs/dbraw/zinc/15/06/79/778150679.db2.gz OFHZIVYWARCJJL-ILWJIGKKSA-N -1 1 272.304 2.527 20 0 CFADMM COC(=O)c1cccc2nc(O[C@@H](C)C3=CC=C[CH]3)[nH]c21 ZINC001234044874 778151104 /nfs/dbraw/zinc/15/11/04/778151104.db2.gz OLIFXEZIAVONIL-JTQLQIEISA-N -1 1 283.307 2.817 20 0 CFADMM CCCCC[C@@H](CCCC)Oc1c(C(N)=O)nc[n-]c1=O ZINC001234471095 778232441 /nfs/dbraw/zinc/23/24/41/778232441.db2.gz BTWVOTINGOXOOD-LLVKDONJSA-N -1 1 295.383 2.799 20 0 CFADMM CC[C@H]1CCCC[C@@H]1Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234557745 778251918 /nfs/dbraw/zinc/25/19/18/778251918.db2.gz MYNOEOLUZLBKHB-QWRGUYRKSA-N -1 1 294.351 2.625 20 0 CFADMM CC(C)c1nc(C(N)=O)c(OC2CCCCCC2)c(=O)[n-]1 ZINC001234566137 778253199 /nfs/dbraw/zinc/25/31/99/778253199.db2.gz SOXAECOAVXTVGM-UHFFFAOYSA-N -1 1 293.367 2.506 20 0 CFADMM CCCC[C@@H](CC)Oc1c(C(N)=O)nc(C(C)C)[n-]c1=O ZINC001234563554 778253847 /nfs/dbraw/zinc/25/38/47/778253847.db2.gz YYTVYAADHYMSNB-SNVBAGLBSA-N -1 1 295.383 2.752 20 0 CFADMM CC[C@H](C)CC[C@H](C)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234565598 778254144 /nfs/dbraw/zinc/25/41/44/778254144.db2.gz XTZFJSKBKROADX-UWVGGRQHSA-N -1 1 296.367 2.871 20 0 CFADMM COC(=O)c1cc(F)c(=O)[n-]c1OC1CCC(C)CC1 ZINC001234610458 778265718 /nfs/dbraw/zinc/26/57/18/778265718.db2.gz UMMKZYRDNDOPMI-UHFFFAOYSA-N -1 1 283.299 2.670 20 0 CFADMM CC(C)CCOC(=O)[C@H](C)Oc1nc2sccc2[n-]1 ZINC001234848494 778309333 /nfs/dbraw/zinc/30/93/33/778309333.db2.gz QDLCQTMBJJOHSS-VIFPVBQESA-N -1 1 282.365 2.981 20 0 CFADMM Cc1c(Cl)cc(NC(=O)C2CN(C)C2)c([O-])c1Cl ZINC001142598668 778517764 /nfs/dbraw/zinc/51/77/64/778517764.db2.gz BZSLGMIBQGIKDU-UHFFFAOYSA-N -1 1 289.162 2.508 20 0 CFADMM C[C@H]1CN(Cc2ccc(Cl)cc2C(=O)[O-])CCCO1 ZINC001142643223 778543124 /nfs/dbraw/zinc/54/31/24/778543124.db2.gz LWVUJCMPCWKRGP-JTQLQIEISA-N -1 1 283.755 2.649 20 0 CFADMM CN1CCN(c2ccc(-c3cccc([S-])c3)cn2)CC1 ZINC001235974031 778635588 /nfs/dbraw/zinc/63/55/88/778635588.db2.gz RAQHQDNOXJOYRZ-UHFFFAOYSA-N -1 1 285.416 2.789 20 0 CFADMM CN(C)Cc1ccc(-c2ccc(C(=O)[O-])cc2)nc1 ZINC001236057510 778671078 /nfs/dbraw/zinc/67/10/78/778671078.db2.gz ZQBQIGJBHSJJEK-UHFFFAOYSA-N -1 1 256.305 2.508 20 0 CFADMM Cc1ccc(F)c(-c2cncc(N3CCCC3)n2)c1[O-] ZINC001236391426 778799536 /nfs/dbraw/zinc/79/95/36/778799536.db2.gz NUYUOCHMXHAOFD-UHFFFAOYSA-N -1 1 273.311 2.897 20 0 CFADMM Cc1ccc(F)c(-c2cc(C(=O)N(C)C)ccn2)c1[O-] ZINC001236389998 778799797 /nfs/dbraw/zinc/79/97/97/778799797.db2.gz HKYALNGFPKOKCG-UHFFFAOYSA-N -1 1 274.295 2.604 20 0 CFADMM Cc1ccc(F)c(-c2cc(N3CCOCC3)ccn2)c1[O-] ZINC001236393462 778800098 /nfs/dbraw/zinc/80/00/98/778800098.db2.gz VCTPTVAAXHYXRN-UHFFFAOYSA-N -1 1 288.322 2.738 20 0 CFADMM COCOc1ccc(-c2c(F)ccc(C)c2[O-])nc1 ZINC001236392016 778800252 /nfs/dbraw/zinc/80/02/52/778800252.db2.gz KIFLDRROTANJIU-UHFFFAOYSA-N -1 1 263.268 2.884 20 0 CFADMM COC(=O)c1cc(-c2c(F)ccc(C)c2[O-])ncc1C ZINC001236394313 778801899 /nfs/dbraw/zinc/80/18/99/778801899.db2.gz WKEDRCNCZZHOCE-UHFFFAOYSA-N -1 1 275.279 2.997 20 0 CFADMM Cc1ccc(F)c(-c2cc3cncnc3cn2)c1[O-] ZINC001236394395 778801934 /nfs/dbraw/zinc/80/19/34/778801934.db2.gz XMVGZVVTJZQBOH-UHFFFAOYSA-N -1 1 255.252 2.845 20 0 CFADMM C[C@H]1CN(Cc2ccc(Cl)c([O-])c2)CCCC1=O ZINC001231733117 778868608 /nfs/dbraw/zinc/86/86/08/778868608.db2.gz NEDVLTIUXKRPET-JTQLQIEISA-N -1 1 267.756 2.847 20 0 CFADMM C[C@]1(CF)CCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232970976 779001654 /nfs/dbraw/zinc/00/16/54/779001654.db2.gz PHANVFSPYYPFED-CYBMUJFWSA-N -1 1 259.271 2.852 20 0 CFADMM C[C@@H]1CN(Cc2cc(Cl)ncc2[O-])CCC1(F)F ZINC001233033023 779008502 /nfs/dbraw/zinc/00/85/02/779008502.db2.gz XXALDOJJECYUAB-MRVPVSSYSA-N -1 1 276.714 2.918 20 0 CFADMM OC[C@H]1CCC[C@@H](C(F)(F)F)N1Cc1occc1[S-] ZINC001237180151 779038023 /nfs/dbraw/zinc/03/80/23/779038023.db2.gz HTXRVVKWPBPHKR-KCJUWKMLSA-N -1 1 295.326 2.846 20 0 CFADMM CCC[C@H](Oc1[n-]c(=O)c(F)cc1C(=O)OC)C(C)C ZINC001234609127 779253792 /nfs/dbraw/zinc/25/37/92/779253792.db2.gz OMTYAZCBYHGYIK-NSHDSACASA-N -1 1 285.315 2.916 20 0 CFADMM Cc1cc(C(=O)[O-])ccc1CN1CCc2ncccc2C1 ZINC001238138533 779259162 /nfs/dbraw/zinc/25/91/62/779259162.db2.gz IGJWZASBDFMIKP-UHFFFAOYSA-N -1 1 282.343 2.647 20 0 CFADMM Cc1cc(C(=O)[O-])ccc1CN1CC[C@@](C)(F)[C@@H](F)C1 ZINC001238142256 779260474 /nfs/dbraw/zinc/26/04/74/779260474.db2.gz QQNDZUIQUHQOIS-DZGCQCFKSA-N -1 1 283.318 2.965 20 0 CFADMM CC(C)(O)[C@@H]1CCCN1Cc1cc(Cl)c([O-])cc1F ZINC001238149978 779263374 /nfs/dbraw/zinc/26/33/74/779263374.db2.gz MSMLJVZBQSPAEA-ZDUSSCGKSA-N -1 1 287.762 2.920 20 0 CFADMM CC(C)(O)[C@H]1CCCN1Cc1cc(Cl)c([O-])cc1F ZINC001238149976 779264003 /nfs/dbraw/zinc/26/40/03/779264003.db2.gz MSMLJVZBQSPAEA-CYBMUJFWSA-N -1 1 287.762 2.920 20 0 CFADMM CN(Cc1ccc(F)cc1C(=O)[O-])C1CC(F)(F)C1 ZINC001238237136 779287412 /nfs/dbraw/zinc/28/74/12/779287412.db2.gz HLERASACDCWSTE-UHFFFAOYSA-N -1 1 273.254 2.753 20 0 CFADMM O=C([O-])c1cc(F)ccc1CN1CCCC[C@@H](F)C1 ZINC001238234787 779287851 /nfs/dbraw/zinc/28/78/51/779287851.db2.gz XFHWGHVZRHXVJD-GFCCVEGCSA-N -1 1 269.291 2.848 20 0 CFADMM CN1CCN(c2cc(-c3cccc([S-])c3)ccn2)CC1 ZINC001238822648 779400072 /nfs/dbraw/zinc/40/00/72/779400072.db2.gz SWSOHJNLGWVVBP-UHFFFAOYSA-N -1 1 285.416 2.789 20 0 CFADMM O=C([O-])c1c(F)cc(-c2cc3[nH]nnc3cc2F)cc1F ZINC001239353515 779532408 /nfs/dbraw/zinc/53/24/08/779532408.db2.gz WGRIMLDNERLRJE-UHFFFAOYSA-N -1 1 293.204 2.740 20 0 CFADMM FC(F)(F)c1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001239516077 779600838 /nfs/dbraw/zinc/60/08/38/779600838.db2.gz QOBKWUPKYYAIJJ-UHFFFAOYSA-N -1 1 291.236 2.948 20 0 CFADMM FC(F)(F)c1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001239516077 779600843 /nfs/dbraw/zinc/60/08/43/779600843.db2.gz QOBKWUPKYYAIJJ-UHFFFAOYSA-N -1 1 291.236 2.948 20 0 CFADMM CCc1ccccc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001239749125 779744020 /nfs/dbraw/zinc/74/40/20/779744020.db2.gz SDTSYTNADJAZQB-UHFFFAOYSA-N -1 1 265.312 2.729 20 0 CFADMM CN(C)c1nc(Nc2coc3ccccc23)cc(=O)[n-]1 ZINC001203146412 780033994 /nfs/dbraw/zinc/03/39/94/780033994.db2.gz LGFNQTKIHZUPIT-UHFFFAOYSA-N -1 1 270.292 2.738 20 0 CFADMM COC(=O)c1nc2ccc(-c3cnn(CC4CC4)c3)cc2[n-]1 ZINC001240514273 780221052 /nfs/dbraw/zinc/22/10/52/780221052.db2.gz BFWJEWNFLLIKQY-UHFFFAOYSA-N -1 1 296.330 2.623 20 0 CFADMM COC(=O)c1nc2cc(-c3cnn(CC4CC4)c3)ccc2[n-]1 ZINC001240514273 780221055 /nfs/dbraw/zinc/22/10/55/780221055.db2.gz BFWJEWNFLLIKQY-UHFFFAOYSA-N -1 1 296.330 2.623 20 0 CFADMM O=C([O-])C=Cc1cccc(-c2cncc3nc[nH]c32)c1 ZINC001240549364 780243872 /nfs/dbraw/zinc/24/38/72/780243872.db2.gz DRCQETVRDBLZMN-SNAWJCMRSA-N -1 1 265.272 2.723 20 0 CFADMM CCOC(=O)c1cccc(-c2cc(F)ccc2[O-])n1 ZINC001240693689 780363800 /nfs/dbraw/zinc/36/38/00/780363800.db2.gz VNVKDGONSVVHQA-UHFFFAOYSA-N -1 1 261.252 2.770 20 0 CFADMM COCc1cc(-c2cc(F)ccc2[O-])nc(SC)n1 ZINC001240693526 780364030 /nfs/dbraw/zinc/36/40/30/780364030.db2.gz TXBOKSWDBMUGTJ-UHFFFAOYSA-N -1 1 280.324 2.857 20 0 CFADMM COCCn1ccc2c1ncnc2-c1cc(F)ccc1[O-] ZINC001240694558 780364111 /nfs/dbraw/zinc/36/41/11/780364111.db2.gz XZRAUYMINFDBAC-UHFFFAOYSA-N -1 1 287.294 2.589 20 0 CFADMM [O-]c1ccc(F)cc1-c1ccc(N2CCCC2)nn1 ZINC001240694435 780364155 /nfs/dbraw/zinc/36/41/55/780364155.db2.gz SFHGQNJPEFEQQH-UHFFFAOYSA-N -1 1 259.284 2.589 20 0 CFADMM Nc1ccc2c(c1)c(=O)[nH]n2-c1cc(F)c([O-])c(Cl)c1 ZINC001214489172 780366688 /nfs/dbraw/zinc/36/66/88/780366688.db2.gz WFTYFTDUPUVDLH-UHFFFAOYSA-N -1 1 293.685 2.811 20 0 CFADMM Cc1noc(-c2ccc(-c3cc(F)ccc3[O-])nc2)n1 ZINC001240696057 780367483 /nfs/dbraw/zinc/36/74/83/780367483.db2.gz XRPZDGQNBMGHHB-UHFFFAOYSA-N -1 1 271.251 2.952 20 0 CFADMM COCc1cccc(-c2noc(-c3ncccc3[O-])n2)c1 ZINC001212480803 780396402 /nfs/dbraw/zinc/39/64/02/780396402.db2.gz JTJMXUPZOVBRFP-UHFFFAOYSA-N -1 1 283.287 2.651 20 0 CFADMM CC(C)Oc1ccc(-c2noc(-c3ncccc3[O-])n2)cn1 ZINC001212482440 780396907 /nfs/dbraw/zinc/39/69/07/780396907.db2.gz MZNLZYTWKNYOEU-UHFFFAOYSA-N -1 1 298.302 2.686 20 0 CFADMM CCOC(=O)c1ccc(-c2ccc([O-])c(F)c2)nc1 ZINC001240783464 780436713 /nfs/dbraw/zinc/43/67/13/780436713.db2.gz RTFCACZSDOBBME-UHFFFAOYSA-N -1 1 261.252 2.770 20 0 CFADMM Cc1cnc2c(ccnc2-c2ccc([O-])c(F)c2)n1 ZINC001240786617 780442578 /nfs/dbraw/zinc/44/25/78/780442578.db2.gz WZGDMIOHHBSBNN-UHFFFAOYSA-N -1 1 255.252 2.845 20 0 CFADMM O=C1Cc2cc(-c3cccc4ncccc43)ccc2C(=O)[N-]1 ZINC001240940470 780537204 /nfs/dbraw/zinc/53/72/04/780537204.db2.gz GGSOMBUNWIFBNH-UHFFFAOYSA-N -1 1 288.306 2.714 20 0 CFADMM O=C([O-])Cc1ccc(-c2ccc3cncn3c2)cc1 ZINC001240973136 780561541 /nfs/dbraw/zinc/56/15/41/780561541.db2.gz FBRIMFVPMLYHLB-UHFFFAOYSA-N -1 1 252.273 2.628 20 0 CFADMM Cc1ccc(C(=O)[O-])cc1-c1ccc2[nH]nnc2c1 ZINC001241001219 780584613 /nfs/dbraw/zinc/58/46/13/780584613.db2.gz WKMCEIFCLQRKKI-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM Cc1ccc(C(=O)[O-])cc1-c1ccc2nn[nH]c2c1 ZINC001241001219 780584616 /nfs/dbraw/zinc/58/46/16/780584616.db2.gz WKMCEIFCLQRKKI-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM COc1c(C)cc(-c2nc(C)cc3c2C(=O)[N-]C3=O)cc1C ZINC001241015943 780594702 /nfs/dbraw/zinc/59/47/02/780594702.db2.gz QFPBYGOVAYTMSJ-UHFFFAOYSA-N -1 1 296.326 2.566 20 0 CFADMM COC(=O)c1ccc(C)c(-c2c(F)cc([O-])cc2F)n1 ZINC001241116843 780645143 /nfs/dbraw/zinc/64/51/43/780645143.db2.gz GAJILKGLUUUQHG-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM CCS(=O)(=O)c1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241118197 780646182 /nfs/dbraw/zinc/64/61/82/780646182.db2.gz MWSRBAVWDISHAD-UHFFFAOYSA-N -1 1 299.298 2.526 20 0 CFADMM Cc1cn(-c2cc(-c3c(F)cc([O-])cc3F)ncn2)cn1 ZINC001241118009 780646288 /nfs/dbraw/zinc/64/62/88/780646288.db2.gz CBKDTQCCKFJAII-UHFFFAOYSA-N -1 1 288.257 2.622 20 0 CFADMM CC(C)OC(=O)c1ccc(-c2c(F)cc([O-])cc2F)nn1 ZINC001241117756 780646423 /nfs/dbraw/zinc/64/64/23/780646423.db2.gz XRAAXDQUXROAQA-UHFFFAOYSA-N -1 1 294.257 2.693 20 0 CFADMM CC(=O)Nc1cccc(-c2c(F)cc([O-])cc2F)n1 ZINC001241118252 780647706 /nfs/dbraw/zinc/64/77/06/780647706.db2.gz PMBWHNOYHCEOKQ-UHFFFAOYSA-N -1 1 264.231 2.691 20 0 CFADMM CCOC(=O)Cc1ccnc(-c2c(F)cc([O-])cc2F)c1 ZINC001241119389 780648412 /nfs/dbraw/zinc/64/84/12/780648412.db2.gz LHTYIRYPECRQFV-UHFFFAOYSA-N -1 1 293.269 2.838 20 0 CFADMM COc1cnc(F)c(-c2c(F)cc([O-])cc2F)c1 ZINC001241122270 780650567 /nfs/dbraw/zinc/65/05/67/780650567.db2.gz KNGLKGYSHNBOSI-UHFFFAOYSA-N -1 1 255.195 2.880 20 0 CFADMM CN1Cc2cccc(-c3c(F)cc([O-])cc3F)c2C1=O ZINC001241121666 780650746 /nfs/dbraw/zinc/65/07/46/780650746.db2.gz AHJVBIRAMYCLOA-UHFFFAOYSA-N -1 1 275.254 2.923 20 0 CFADMM COc1cc(-c2c(F)cc([O-])cc2F)cnc1F ZINC001241123201 780652458 /nfs/dbraw/zinc/65/24/58/780652458.db2.gz VAILPIVMMBLYTG-UHFFFAOYSA-N -1 1 255.195 2.880 20 0 CFADMM [O-]c1cc(F)c(-c2cccc(-c3nn[nH]n3)c2)c(F)c1 ZINC001241123248 780652640 /nfs/dbraw/zinc/65/26/40/780652640.db2.gz XMOPHGRQPQMLJD-UHFFFAOYSA-N -1 1 274.230 2.518 20 0 CFADMM Cc1cc2c(c(-c3ccc(Cl)c(F)c3)n1)C(=O)[N-]C2=O ZINC001241230089 780718345 /nfs/dbraw/zinc/71/83/45/780718345.db2.gz NQGYVEPQBSEYMX-UHFFFAOYSA-N -1 1 290.681 2.733 20 0 CFADMM CCN(C)c1nc(-c2cc([O-])cc(F)c2)ncc1C ZINC001241258078 780740015 /nfs/dbraw/zinc/74/00/15/780740015.db2.gz TYCOIHUDEZUJBF-UHFFFAOYSA-N -1 1 261.300 2.753 20 0 CFADMM Cn1ccc2nc(-c3c(F)ccc([O-])c3F)ncc21 ZINC001241289801 780760159 /nfs/dbraw/zinc/76/01/59/780760159.db2.gz ZULAGWJBVPLCLY-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM CCc1ncnc(-c2c(F)ccc([O-])c2F)c1F ZINC001241291194 780761709 /nfs/dbraw/zinc/76/17/09/780761709.db2.gz ITCWLOKPGMTOAS-UHFFFAOYSA-N -1 1 254.211 2.829 20 0 CFADMM COc1nc(-c2c(F)ccc([O-])c2F)nc2c1ccn2C ZINC001241291804 780761882 /nfs/dbraw/zinc/76/18/82/780761882.db2.gz XSRMAJWRVWDDCZ-UHFFFAOYSA-N -1 1 291.257 2.628 20 0 CFADMM CCOC(=O)Cc1cccc(-c2c(F)ccc([O-])c2F)n1 ZINC001241293847 780764548 /nfs/dbraw/zinc/76/45/48/780764548.db2.gz COYUEGHAIWCKDX-UHFFFAOYSA-N -1 1 293.269 2.838 20 0 CFADMM O=C([O-])c1cc(C[N@H+]2CCCC3(CC3)C2)cs1 ZINC000702587315 780934868 /nfs/dbraw/zinc/93/48/68/780934868.db2.gz ORROWKGIFHTTGH-UHFFFAOYSA-N -1 1 251.351 2.822 20 0 CFADMM CCOC(=O)c1nc2cc(-c3cccc(CO)c3)ccc2[n-]1 ZINC001241511179 780950602 /nfs/dbraw/zinc/95/06/02/780950602.db2.gz RZOCUVHCMCECQX-UHFFFAOYSA-N -1 1 296.326 2.899 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3cccc(CO)c3)cc2[n-]1 ZINC001241511179 780950608 /nfs/dbraw/zinc/95/06/08/780950608.db2.gz RZOCUVHCMCECQX-UHFFFAOYSA-N -1 1 296.326 2.899 20 0 CFADMM Cc1cc(-c2ccc3nc[nH]c3c2)cnc1C(=O)[O-] ZINC001241703582 781082209 /nfs/dbraw/zinc/08/22/09/781082209.db2.gz QXNDDCCRQZFLGM-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM COC(=O)c1nc2cc(-c3cnc(OC)cc3C)ccc2[n-]1 ZINC001241761758 781115982 /nfs/dbraw/zinc/11/59/82/781115982.db2.gz PRXZARJCMQKZRZ-UHFFFAOYSA-N -1 1 297.314 2.729 20 0 CFADMM COC(=O)c1nc2ccc(-c3cnc(OC)cc3C)cc2[n-]1 ZINC001241761758 781115987 /nfs/dbraw/zinc/11/59/87/781115987.db2.gz PRXZARJCMQKZRZ-UHFFFAOYSA-N -1 1 297.314 2.729 20 0 CFADMM Cc1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c(F)c1F ZINC001242031103 781242993 /nfs/dbraw/zinc/24/29/93/781242993.db2.gz CMDVLBGRVHVOTB-UHFFFAOYSA-N -1 1 287.265 2.753 20 0 CFADMM CN(C)c1cncc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242127354 781294424 /nfs/dbraw/zinc/29/44/24/781294424.db2.gz YBZUOPLOUAPMNG-UHFFFAOYSA-N -1 1 283.253 2.934 20 0 CFADMM [O-]c1ccc(C(F)(F)F)cc1-c1cc2c(nn1)CCOC2 ZINC001242134095 781295539 /nfs/dbraw/zinc/29/55/39/781295539.db2.gz SOCZFAOSRPSRDQ-UHFFFAOYSA-N -1 1 296.248 2.941 20 0 CFADMM [O-]c1ccc(-c2nccc3n[nH]nc32)cc1C(F)(F)F ZINC001242148421 781300851 /nfs/dbraw/zinc/30/08/51/781300851.db2.gz XUXGTUWWMHEOSC-UHFFFAOYSA-N -1 1 280.209 2.744 20 0 CFADMM CNC(=O)c1cccc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242157197 781307042 /nfs/dbraw/zinc/30/70/42/781307042.db2.gz DROQSKNAAAGIBN-UHFFFAOYSA-N -1 1 296.248 2.833 20 0 CFADMM [O-]c1ccc(-c2ccc3nncn3n2)cc1C(F)(F)F ZINC001242162824 781309743 /nfs/dbraw/zinc/30/97/43/781309743.db2.gz UIDYBAGTQPJFAA-UHFFFAOYSA-N -1 1 280.209 2.516 20 0 CFADMM O=c1cnc(-c2ccc(F)cc2[O-])cn1CC1CCC1 ZINC001242219294 781333929 /nfs/dbraw/zinc/33/39/29/781333929.db2.gz BJNQBROVBWALBI-UHFFFAOYSA-N -1 1 274.295 2.555 20 0 CFADMM COc1cnc(-c2cccc(C)c2[O-])nc1NC1CC1 ZINC001242342743 781414998 /nfs/dbraw/zinc/41/49/98/781414998.db2.gz CCKWMRXBNXYNAG-UHFFFAOYSA-N -1 1 271.320 2.741 20 0 CFADMM COc1cc(S(C)(=O)=O)ccc1-c1cccc(F)c1[O-] ZINC001242352747 781426512 /nfs/dbraw/zinc/42/65/12/781426512.db2.gz PKAPABYRXZKRFQ-UHFFFAOYSA-N -1 1 296.319 2.610 20 0 CFADMM O=c1c(-c2cccc(F)c2[O-])cccn1C1CCOCC1 ZINC001242353865 781427755 /nfs/dbraw/zinc/42/77/55/781427755.db2.gz MZDWPUMCTLAGKB-UHFFFAOYSA-N -1 1 289.306 2.712 20 0 CFADMM COc1ccc(-c2cccc(Cl)c2[O-])c(C(N)=O)c1 ZINC001242365452 781439117 /nfs/dbraw/zinc/43/91/17/781439117.db2.gz DISJRNPCXZNEJP-UHFFFAOYSA-N -1 1 277.707 2.820 20 0 CFADMM COc1ccc(C(=O)[O-])cc1-c1cc2nc[nH]c2cc1OC ZINC001242390755 781459073 /nfs/dbraw/zinc/45/90/73/781459073.db2.gz FRVZVYJKAWFTJQ-UHFFFAOYSA-N -1 1 298.298 2.945 20 0 CFADMM COC(=O)c1nc2cc(-c3ccnn3C(C)C)ccc2[n-]1 ZINC001242556420 781596078 /nfs/dbraw/zinc/59/60/78/781596078.db2.gz IDOFWIYNXIXMLJ-UHFFFAOYSA-N -1 1 284.319 2.794 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccnn3C(C)C)cc2[n-]1 ZINC001242556420 781596087 /nfs/dbraw/zinc/59/60/87/781596087.db2.gz IDOFWIYNXIXMLJ-UHFFFAOYSA-N -1 1 284.319 2.794 20 0 CFADMM COC(=O)c1nc2cc(-c3cccc4c3OCO4)ccc2[n-]1 ZINC001242587845 781621211 /nfs/dbraw/zinc/62/12/11/781621211.db2.gz KPMNTQYHCCULFR-UHFFFAOYSA-N -1 1 296.282 2.745 20 0 CFADMM COC(=O)c1nc2ccc(-c3cccc4c3OCO4)cc2[n-]1 ZINC001242587845 781621215 /nfs/dbraw/zinc/62/12/15/781621215.db2.gz KPMNTQYHCCULFR-UHFFFAOYSA-N -1 1 296.282 2.745 20 0 CFADMM COC(=O)c1nc2cc(-c3cc(CO)ccc3C)ccc2[n-]1 ZINC001242668316 781685138 /nfs/dbraw/zinc/68/51/38/781685138.db2.gz JQTKJDJCWBYKMU-UHFFFAOYSA-N -1 1 296.326 2.817 20 0 CFADMM COC(=O)c1nc2ccc(-c3cc(CO)ccc3C)cc2[n-]1 ZINC001242668316 781685140 /nfs/dbraw/zinc/68/51/40/781685140.db2.gz JQTKJDJCWBYKMU-UHFFFAOYSA-N -1 1 296.326 2.817 20 0 CFADMM Cc1cc2c(c(-c3cc4cc(F)ccc4o3)n1)C(=O)[N-]C2=O ZINC001242707366 781709385 /nfs/dbraw/zinc/70/93/85/781709385.db2.gz MBTSAAIJQQIPQO-UHFFFAOYSA-N -1 1 296.257 2.826 20 0 CFADMM COC(=O)c1c(OC)ccnc1-c1cccc([O-])c1Cl ZINC001242798308 781764649 /nfs/dbraw/zinc/76/46/49/781764649.db2.gz RLTMUJOBAQMQNC-UHFFFAOYSA-N -1 1 293.706 2.903 20 0 CFADMM CCOC(=O)c1ncc(-c2cccc([O-])c2Cl)cn1 ZINC001242801117 781765887 /nfs/dbraw/zinc/76/58/87/781765887.db2.gz XTNSAOAKDFMNNS-UHFFFAOYSA-N -1 1 278.695 2.679 20 0 CFADMM O=C1NCc2c1cccc2-c1cccc([O-])c1Cl ZINC001242799591 781766125 /nfs/dbraw/zinc/76/61/25/781766125.db2.gz TVJGTOMKHNSZKS-UHFFFAOYSA-N -1 1 259.692 2.956 20 0 CFADMM O=C1Cc2cc(-c3cccc([O-])c3Cl)cnc2N1 ZINC001242799932 781766209 /nfs/dbraw/zinc/76/62/09/781766209.db2.gz IAPJGLKWOFIPEK-UHFFFAOYSA-N -1 1 260.680 2.602 20 0 CFADMM NC(=O)Cc1ccccc1-c1cccc([O-])c1Cl ZINC001242802130 781766767 /nfs/dbraw/zinc/76/67/67/781766767.db2.gz RYFPHXDCRSZJLL-UHFFFAOYSA-N -1 1 261.708 2.740 20 0 CFADMM COCCn1cccc(-c2cccc([O-])c2Cl)c1=O ZINC001242801898 781767686 /nfs/dbraw/zinc/76/76/86/781767686.db2.gz FQLQZHLTWHYSLD-UHFFFAOYSA-N -1 1 279.723 2.521 20 0 CFADMM CC(C)n1cc(-c2cccc([O-])c2Cl)cnc1=O ZINC001242801890 781767941 /nfs/dbraw/zinc/76/79/41/781767941.db2.gz FJRKWXQVYUWLMS-UHFFFAOYSA-N -1 1 264.712 2.850 20 0 CFADMM CCc1cccc(C)c1-c1nc(C)cc2c1C(=O)[N-]C2=O ZINC001242816186 781776157 /nfs/dbraw/zinc/77/61/57/781776157.db2.gz AYLIYKVEVFOHAX-UHFFFAOYSA-N -1 1 280.327 2.811 20 0 CFADMM COC(=O)c1cc2cc(-c3ccccc3C(=O)[O-])cnc2[nH]1 ZINC001242878373 781817999 /nfs/dbraw/zinc/81/79/99/781817999.db2.gz MFLQVKRYWOCYRN-UHFFFAOYSA-N -1 1 296.282 2.715 20 0 CFADMM O=C([O-])c1csc(CNC/C=C\c2ccccc2)n1 ZINC001119534627 781823003 /nfs/dbraw/zinc/82/30/03/781823003.db2.gz IMRJIFBEYVZSCR-DAXSKMNVSA-N -1 1 274.345 2.644 20 0 CFADMM COc1cc2[nH]cnc2cc1-c1cccc(C(=O)[O-])c1OC ZINC001242922981 781844525 /nfs/dbraw/zinc/84/45/25/781844525.db2.gz ZUGLVTGVQUREIJ-UHFFFAOYSA-N -1 1 298.298 2.945 20 0 CFADMM COC(=O)c1nc2cc(-c3ccc(OC)nc3C)ccc2[n-]1 ZINC001242926595 781848805 /nfs/dbraw/zinc/84/88/05/781848805.db2.gz PNOJHBWRRGJBHR-UHFFFAOYSA-N -1 1 297.314 2.729 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc(OC)nc3C)cc2[n-]1 ZINC001242926595 781848819 /nfs/dbraw/zinc/84/88/19/781848819.db2.gz PNOJHBWRRGJBHR-UHFFFAOYSA-N -1 1 297.314 2.729 20 0 CFADMM C[C@@H]1CC[C@@H](CCC(=O)Nc2cc([O-])c(F)cc2F)O1 ZINC000822394303 781898423 /nfs/dbraw/zinc/89/84/23/781898423.db2.gz YSEBTPHAGBOHHL-BDAKNGLRSA-N -1 1 285.290 2.957 20 0 CFADMM CCc1noc(C)c1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000067551548 346809163 /nfs/dbraw/zinc/80/91/63/346809163.db2.gz BCEQZWDINKBWQM-UHFFFAOYSA-N -1 1 288.279 2.587 20 0 CFADMM CCC[C@H](Sc1nc(CC)c(C)c(=O)[n-]1)C(=O)OCC ZINC000594904869 349500903 /nfs/dbraw/zinc/50/09/03/349500903.db2.gz HVCKXSFUPIDLNE-NSHDSACASA-N -1 1 298.408 2.877 20 0 CFADMM CCCc1nc(C(=O)[N-]c2c(C)noc2CC)co1 ZINC000273878325 192345078 /nfs/dbraw/zinc/34/50/78/192345078.db2.gz QGAWZSNMCIHMLU-UHFFFAOYSA-N -1 1 263.297 2.738 20 0 CFADMM COCCC[C@@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456777773 536654789 /nfs/dbraw/zinc/65/47/89/536654789.db2.gz GQZYBWPIPYJMRA-MRVPVSSYSA-N -1 1 273.279 2.672 20 0 CFADMM CC[C@@H](CC1CCCCC1)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000413510948 529462910 /nfs/dbraw/zinc/46/29/10/529462910.db2.gz IDWPZLILOTULKO-LBPRGKRZSA-N -1 1 293.415 2.548 20 0 CFADMM CO[C@H](C)c1nc(=NC[C@@H]2CC[C@H]3C[C@H]3C2)s[n-]1 ZINC000403327999 290027040 /nfs/dbraw/zinc/02/70/40/290027040.db2.gz PJTIISIFWOCTGR-CHWFTXMASA-N -1 1 267.398 2.516 20 0 CFADMM CCC(CC)n1ccc(CN2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000069997074 346904688 /nfs/dbraw/zinc/90/46/88/346904688.db2.gz NDBSSRYZFZYTDR-OAHLLOKOSA-N -1 1 279.384 2.541 20 0 CFADMM CCC(CC)n1ccc(CN2CCC[C@@](C)(C(=O)[O-])C2)n1 ZINC000069997065 346904790 /nfs/dbraw/zinc/90/47/90/346904790.db2.gz ODDSTMOKZDEMKO-MRXNPFEDSA-N -1 1 293.411 2.931 20 0 CFADMM Cc1ncoc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000353693833 282228960 /nfs/dbraw/zinc/22/89/60/282228960.db2.gz BVNLIVKVGGWRSQ-UHFFFAOYSA-N -1 1 286.316 2.754 20 0 CFADMM CCc1nc(NC(=O)c2ccc(O)cc2[O-])sc1C ZINC000192578462 529744044 /nfs/dbraw/zinc/74/40/44/529744044.db2.gz MEXVOTSZHBONRP-UHFFFAOYSA-N -1 1 278.333 2.677 20 0 CFADMM CC(C)c1cc(CNC(=O)c2cc(F)ccc2[O-])on1 ZINC000080028207 539377432 /nfs/dbraw/zinc/37/74/32/539377432.db2.gz UPIYKYRRXJWVJN-UHFFFAOYSA-N -1 1 278.283 2.573 20 0 CFADMM CCSCC[C@H](C)NC(=O)c1c([O-])cccc1F ZINC000127286854 187293579 /nfs/dbraw/zinc/29/35/79/187293579.db2.gz UQYJYLBCXKRODG-VIFPVBQESA-N -1 1 271.357 2.793 20 0 CFADMM Cc1cc(NC(=O)c2cc3ccccc3cc2[O-])nn1C ZINC000156682559 232234643 /nfs/dbraw/zinc/23/46/43/232234643.db2.gz LHGPMXKIODTLRX-UHFFFAOYSA-N -1 1 281.315 2.840 20 0 CFADMM CC(=O)Nc1cccc(NC(=O)c2ccccc2[O-])c1C ZINC000029818165 346283770 /nfs/dbraw/zinc/28/37/70/346283770.db2.gz XGEPJYXMKVLTRG-UHFFFAOYSA-N -1 1 284.315 2.911 20 0 CFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(Cl)s1 ZINC000036744325 346323582 /nfs/dbraw/zinc/32/35/82/346323582.db2.gz QJDJBBJNCJDBOB-UHFFFAOYSA-N -1 1 296.661 2.791 20 0 CFADMM Cc1ccc(CN[C@@]2(C(=O)[O-])CCc3ccccc3C2)o1 ZINC000053043381 346536017 /nfs/dbraw/zinc/53/60/17/346536017.db2.gz WUMANICFPMUQEA-KRWDZBQOSA-N -1 1 285.343 2.690 20 0 CFADMM Cc1nnc(N(C)C(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000291792132 232593970 /nfs/dbraw/zinc/59/39/70/232593970.db2.gz ACHVFGHFJPHXOM-UHFFFAOYSA-N -1 1 291.376 2.952 20 0 CFADMM CC(C)(C)c1nsc(NC(=O)c2cc(F)ccc2[O-])n1 ZINC000080023730 347336995 /nfs/dbraw/zinc/33/69/95/347336995.db2.gz NJRHQTWSKGIAAV-UHFFFAOYSA-N -1 1 295.339 2.933 20 0 CFADMM C[C@]1(CO)CCC[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000092602341 347633749 /nfs/dbraw/zinc/63/37/49/347633749.db2.gz CZVQLWYWYVNUMY-CRAIPNDOSA-N -1 1 299.370 2.826 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N(C[C@@H]1CCOC1)C1CC1 ZINC000094056434 347690927 /nfs/dbraw/zinc/69/09/27/347690927.db2.gz CYMATGTVQDAKEO-JTQLQIEISA-N -1 1 295.766 2.687 20 0 CFADMM C[C@H](CN(C)Cc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000094969308 347697321 /nfs/dbraw/zinc/69/73/21/347697321.db2.gz ZPASLYRLSQLCOU-SECBINFHSA-N -1 1 270.398 2.593 20 0 CFADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1cocn1 ZINC000104898567 347727583 /nfs/dbraw/zinc/72/75/83/347727583.db2.gz MWNROWHKQZIQLH-UHFFFAOYSA-N -1 1 278.318 2.507 20 0 CFADMM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2ccccc2F)C1 ZINC000111241963 347751494 /nfs/dbraw/zinc/75/14/94/347751494.db2.gz RWBVOOGSHIUZAJ-GFCCVEGCSA-N -1 1 291.244 2.665 20 0 CFADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCCC[C@@H]1C ZINC000125778385 347829949 /nfs/dbraw/zinc/82/99/49/347829949.db2.gz LQGYRLSVVCWIJM-NWDGAFQWSA-N -1 1 262.353 2.828 20 0 CFADMM C[C@@H]1CC(NC(=O)c2ccc(Cl)cc2[O-])C[C@@H](C)O1 ZINC000120508151 347807140 /nfs/dbraw/zinc/80/71/40/347807140.db2.gz 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/nfs/dbraw/zinc/78/45/61/348784561.db2.gz PGJYZDSYZDPVPD-UHFFFAOYSA-N -1 1 275.377 2.865 20 0 CFADMM O=S(=O)([N-]c1cccnc1Oc1ccccc1)C1CC1 ZINC000589431379 348832320 /nfs/dbraw/zinc/83/23/20/348832320.db2.gz GIOOKEMNSGHIST-UHFFFAOYSA-N -1 1 290.344 2.778 20 0 CFADMM CSC[C@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000590461840 348901682 /nfs/dbraw/zinc/90/16/82/348901682.db2.gz NLBJZJWGZZJLEH-JTQLQIEISA-N -1 1 283.368 2.747 20 0 CFADMM CCOc1cc(C(=O)NC[C@H]2C[C@H]2C)cc(Cl)c1[O-] ZINC000273993304 192392791 /nfs/dbraw/zinc/39/27/91/192392791.db2.gz XRJPCNDJAMYDEI-PSASIEDQSA-N -1 1 283.755 2.830 20 0 CFADMM CS[C@@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000597716793 350127982 /nfs/dbraw/zinc/12/79/82/350127982.db2.gz UTPCFYYVFBLDOE-LLVKDONJSA-N -1 1 288.372 2.518 20 0 CFADMM O=S(=O)(CCC1CCCCC1)[N-]c1ccccn1 ZINC000518083404 260341420 /nfs/dbraw/zinc/34/14/20/260341420.db2.gz HBEIZWKILJCLED-UHFFFAOYSA-N -1 1 268.382 2.794 20 0 CFADMM CC(C)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000599122293 350379902 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283.755 2.544 20 0 CFADMM CSc1cc(NC(=O)c2cc(F)ccc2[O-])ccn1 ZINC000678058486 541944030 /nfs/dbraw/zinc/94/40/30/541944030.db2.gz LEXFWYIJENPJJX-UHFFFAOYSA-N -1 1 278.308 2.901 20 0 CFADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H]1C ZINC000075412085 374480571 /nfs/dbraw/zinc/48/05/71/374480571.db2.gz QFOHZVXGAUNREQ-DTORHVGOSA-N -1 1 253.729 2.774 20 0 CFADMM Cc1noc(C)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000085204481 374796769 /nfs/dbraw/zinc/79/67/69/374796769.db2.gz TUPZRETYJOBXFT-UHFFFAOYSA-N -1 1 266.684 2.903 20 0 CFADMM CO[C@]1(C)C[C@@H](N(C)C(=O)c2cc(F)ccc2[O-])C1(C)C ZINC000091990032 375079253 /nfs/dbraw/zinc/07/92/53/375079253.db2.gz NQKYBNLPNIIGAT-CZUORRHYSA-N -1 1 295.354 2.807 20 0 CFADMM C[C@]1(CNC(=O)c2ccc3ccccc3c2[O-])CCCO1 ZINC000094803825 375381076 /nfs/dbraw/zinc/38/10/76/375381076.db2.gz BQWBTUYWRDJNBJ-QGZVFWFLSA-N -1 1 285.343 2.844 20 0 CFADMM CCC(C)(CC)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000500098042 247091882 /nfs/dbraw/zinc/09/18/82/247091882.db2.gz LBTJBBKRQHVKRM-UHFFFAOYSA-N -1 1 295.326 2.961 20 0 CFADMM O=S(=O)([N-]C1(C(F)F)CCCCC1)c1cccs1 ZINC000508085363 247179406 /nfs/dbraw/zinc/17/94/06/247179406.db2.gz PAXSTIYIDOMAAT-UHFFFAOYSA-N -1 1 295.376 2.994 20 0 CFADMM CC[C@H](C)CN(C)C(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000111629210 375860650 /nfs/dbraw/zinc/86/06/50/375860650.db2.gz UBJUENHNYQWETA-JTQLQIEISA-N -1 1 287.363 2.762 20 0 CFADMM CC[C@H](C)CN(C)C(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000111629210 375860656 /nfs/dbraw/zinc/86/06/56/375860656.db2.gz UBJUENHNYQWETA-JTQLQIEISA-N -1 1 287.363 2.762 20 0 CFADMM CN(Cc1c(F)cccc1Cl)C(=O)c1cncc([O-])c1 ZINC000111775458 375869711 /nfs/dbraw/zinc/86/97/11/375869711.db2.gz HBQOGMHWSHUHAF-UHFFFAOYSA-N -1 1 294.713 2.852 20 0 CFADMM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ncccc1[O-] ZINC000115721320 376148320 /nfs/dbraw/zinc/14/83/20/376148320.db2.gz DYZLLRVEAICIMN-TZMCWYRMSA-N -1 1 282.343 2.805 20 0 CFADMM CC[C@@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000117396324 376241500 /nfs/dbraw/zinc/24/15/00/376241500.db2.gz UZMRANVTWZOVRY-GFCCVEGCSA-N -1 1 299.374 2.575 20 0 CFADMM C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000125140349 377121792 /nfs/dbraw/zinc/12/17/92/377121792.db2.gz OBQQANBHJVKWPY-GHMZBOCLSA-N -1 1 291.420 2.995 20 0 CFADMM C[C@@H](CC(=O)[O-])N(C)Cc1ncc(-c2cccs2)o1 ZINC000571702403 383719384 /nfs/dbraw/zinc/71/93/84/383719384.db2.gz IKPUHDSEJSPCFF-VIFPVBQESA-N -1 1 280.349 2.698 20 0 CFADMM CC(C)n1nccc1NC(=O)c1cc(F)ccc1[O-] ZINC000128592592 377348108 /nfs/dbraw/zinc/34/81/08/377348108.db2.gz WYSHGUQGXPTBHZ-UHFFFAOYSA-N -1 1 263.272 2.561 20 0 CFADMM CC(C)[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000128682743 377352787 /nfs/dbraw/zinc/35/27/87/377352787.db2.gz JWFFEJUOXMZFLB-GFCCVEGCSA-N -1 1 251.301 2.792 20 0 CFADMM CSC[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129551370 377443403 /nfs/dbraw/zinc/44/34/03/377443403.db2.gz QRRHWQXIASSBML-ZETCQYMHSA-N -1 1 259.758 2.983 20 0 CFADMM Cc1cnc(CCN(C)C(=O)c2c([O-])cccc2F)s1 ZINC000130738443 377603483 /nfs/dbraw/zinc/60/34/83/377603483.db2.gz MWSHYLDVWRALHU-UHFFFAOYSA-N -1 1 294.351 2.611 20 0 CFADMM CC(C)[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000134976762 378071218 /nfs/dbraw/zinc/07/12/18/378071218.db2.gz UYQADLWQYHKAIP-JTQLQIEISA-N -1 1 251.301 2.649 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCOC[C@H]1C1CC1 ZINC000091697685 284686192 /nfs/dbraw/zinc/68/61/92/284686192.db2.gz JYVRGLZUDNAYTA-INIZCTEOSA-N -1 1 297.354 2.796 20 0 CFADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1cc(C2CC2)[nH]n1 ZINC000150303327 378268526 /nfs/dbraw/zinc/26/85/26/378268526.db2.gz QSHOXMGRRYCAAC-UHFFFAOYSA-N -1 1 291.738 2.827 20 0 CFADMM C[C@@H]1CC(C(=O)Nc2ccc(F)cc2[O-])C[C@@H](C)O1 ZINC000334368547 296275127 /nfs/dbraw/zinc/27/51/27/296275127.db2.gz SNFKBNDXDLBAKM-RKDXNWHRSA-N -1 1 267.300 2.673 20 0 CFADMM Cc1ccc(C)c(CN2CCCC[C@H]2c2n[nH]c(=O)[n-]2)c1 ZINC000329595644 378466510 /nfs/dbraw/zinc/46/65/10/378466510.db2.gz OXYDGJIJOAAHMU-AWEZNQCLSA-N -1 1 286.379 2.854 20 0 CFADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C(=O)c1ccc([O-])cc1 ZINC000332239832 378740543 /nfs/dbraw/zinc/74/05/43/378740543.db2.gz IOKVTLUCPJMFNY-ZLDLUXBVSA-N -1 1 287.359 2.755 20 0 CFADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)C(=O)c1ccc([O-])cc1 ZINC000332577133 378777064 /nfs/dbraw/zinc/77/70/64/378777064.db2.gz GIQKIFMJABQLAE-IACUBPJLSA-N -1 1 287.359 2.660 20 0 CFADMM O=C(NC[C@H]1CCOC2(CCC2)C1)c1c([O-])cccc1F ZINC000333043694 378813963 /nfs/dbraw/zinc/81/39/63/378813963.db2.gz FLIKRPGGPJLYGT-NSHDSACASA-N -1 1 293.338 2.610 20 0 CFADMM O=C(NC[C@@H]1CCOC2(CCC2)C1)c1ccc([O-])cc1F ZINC000333047022 378814839 /nfs/dbraw/zinc/81/48/39/378814839.db2.gz FZSLMHXSUHMOJH-LLVKDONJSA-N -1 1 293.338 2.610 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](O)CC12CCC2 ZINC000333767545 378856969 /nfs/dbraw/zinc/85/69/69/378856969.db2.gz QNWHJAQYPCSCRA-NSHDSACASA-N -1 1 295.766 2.565 20 0 CFADMM Cc1ccc(CN2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)c(C)c1 ZINC000334047047 378891882 /nfs/dbraw/zinc/89/18/82/378891882.db2.gz QKKSEZJLSMOBBV-CQSZACIVSA-N -1 1 286.379 2.854 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000333918006 378877354 /nfs/dbraw/zinc/87/73/54/378877354.db2.gz CGFSEDSJCDUQBJ-SFGNSQDASA-N -1 1 279.723 2.599 20 0 CFADMM Cc1noc(C)c1[C@H](C)CNC(=O)c1cc(F)ccc1[O-] ZINC000162772486 378933180 /nfs/dbraw/zinc/93/31/80/378933180.db2.gz KVRWNRITPGBPKO-MRVPVSSYSA-N -1 1 292.310 2.670 20 0 CFADMM Cc1ccncc1NC(=O)c1c(F)ccc([O-])c1F ZINC000334229124 378954309 /nfs/dbraw/zinc/95/43/09/378954309.db2.gz PNYDBZWLBQNZAC-UHFFFAOYSA-N -1 1 264.231 2.626 20 0 CFADMM O=C(c1ncccc1[O-])N1CCC[C@@H](Nc2ccccc2)C1 ZINC000164021275 379000425 /nfs/dbraw/zinc/00/04/25/379000425.db2.gz CULSBKQSIZXQSW-CQSZACIVSA-N -1 1 297.358 2.504 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@@H](C)c2noc(C)n2)n1 ZINC000278605555 194066073 /nfs/dbraw/zinc/06/60/73/194066073.db2.gz RFNMVLBEWJXYOC-ZETCQYMHSA-N -1 1 280.353 2.679 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CCOC[C@H]1C1CCC1 ZINC000335409524 379239876 /nfs/dbraw/zinc/23/98/76/379239876.db2.gz KHGLMEAJKOOQQD-ZDUSSCGKSA-N -1 1 295.766 2.687 20 0 CFADMM C[C@@H]1CCN(Cc2cc(F)ccc2F)C[C@H]1C(=O)[O-] ZINC000335424666 379273653 /nfs/dbraw/zinc/27/36/53/379273653.db2.gz PIBFENGOHMIDAJ-BXKDBHETSA-N -1 1 269.291 2.507 20 0 CFADMM C[C@H]1N(C(=O)c2ccc([O-])cc2F)CCC12CCOCC2 ZINC000334454721 379328986 /nfs/dbraw/zinc/32/89/86/379328986.db2.gz NCTGQVLAJTYREN-LLVKDONJSA-N -1 1 293.338 2.563 20 0 CFADMM C[C@@H]1CCN(Cc2ccsc2Cl)C[C@H]1C(=O)[O-] ZINC000335439916 379299125 /nfs/dbraw/zinc/29/91/25/379299125.db2.gz DCFSHQPPVHHQRC-PSASIEDQSA-N -1 1 273.785 2.944 20 0 CFADMM O=S(=O)([N-]C1(CF)CCC1)c1cc2ccccc2o1 ZINC000335483904 379381374 /nfs/dbraw/zinc/38/13/74/379381374.db2.gz BOYNZXQJQYORJV-UHFFFAOYSA-N -1 1 283.324 2.603 20 0 CFADMM O=C(N[C@H]1CCC[C@@H](F)C1)c1c([O-])cccc1F ZINC000335519265 379441196 /nfs/dbraw/zinc/44/11/96/379441196.db2.gz HWWACCBKLNUKRZ-BDAKNGLRSA-N -1 1 255.264 2.542 20 0 CFADMM O=C(N[C@H]1CCc2c1cccc2Cl)c1cncc([O-])c1 ZINC000171866172 379425316 /nfs/dbraw/zinc/42/53/16/379425316.db2.gz JSMZPJLDOYHWAD-AWEZNQCLSA-N -1 1 288.734 2.858 20 0 CFADMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cncc([O-])c1 ZINC000172092257 379490984 /nfs/dbraw/zinc/49/09/84/379490984.db2.gz QSYYSSUIGGLKMR-SWLSCSKDSA-N -1 1 282.343 2.805 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CC[C@H](c2cccnc2)C1 ZINC000335554472 379502436 /nfs/dbraw/zinc/50/24/36/379502436.db2.gz VPFJBUZGBCNKKK-LBPRGKRZSA-N -1 1 286.306 2.556 20 0 CFADMM CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000451921232 383738426 /nfs/dbraw/zinc/73/84/26/383738426.db2.gz ZYMGXUOHPVJLGR-UWVGGRQHSA-N -1 1 289.347 2.535 20 0 CFADMM CN(CCc1ccc(Cl)cc1)C(=O)c1cncc([O-])c1 ZINC000172164842 379506635 /nfs/dbraw/zinc/50/66/35/379506635.db2.gz IDWMIGAGNFVYOY-UHFFFAOYSA-N -1 1 290.750 2.755 20 0 CFADMM C[C@@H](CN(Cc1cc(-c2ccco2)on1)C1CC1)C(=O)[O-] ZINC000571928716 383739340 /nfs/dbraw/zinc/73/93/40/383739340.db2.gz DUHRYAUGDRGGMY-JTQLQIEISA-N -1 1 290.319 2.620 20 0 CFADMM COc1cc(C(=O)N2C[C@@H](C)C[C@@H]2C)cc(Cl)c1[O-] ZINC000335800992 379911690 /nfs/dbraw/zinc/91/16/90/379911690.db2.gz SKIAQOHWAUJLMU-IUCAKERBSA-N -1 1 283.755 2.925 20 0 CFADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccncc1F ZINC000335778079 379873456 /nfs/dbraw/zinc/87/34/56/379873456.db2.gz HXPQBYADXHUDNK-QMMMGPOBSA-N -1 1 278.258 2.556 20 0 CFADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1ccncc1F ZINC000335842425 379979464 /nfs/dbraw/zinc/97/94/64/379979464.db2.gz ZSCODLSJGSRPHZ-QMMMGPOBSA-N -1 1 278.258 2.556 20 0 CFADMM CC(C)(NC(=O)c1ccc(C2CCCC2)cc1)c1nn[n-]n1 ZINC000571948762 383741792 /nfs/dbraw/zinc/74/17/92/383741792.db2.gz JAKHNVGBJFJYPE-UHFFFAOYSA-N -1 1 299.378 2.522 20 0 CFADMM CC(C)[C@]1(C)C[C@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000335208348 380010455 /nfs/dbraw/zinc/01/04/55/380010455.db2.gz CMPRKLNJSDBZNK-YGRLFVJLSA-N -1 1 269.291 2.835 20 0 CFADMM O=C(c1ncccc1[O-])N1CCC(CC(F)(F)F)CC1 ZINC000335896384 380067125 /nfs/dbraw/zinc/06/71/25/380067125.db2.gz OWDGLWPPJBQDFH-UHFFFAOYSA-N -1 1 288.269 2.592 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1ccncc1Cl ZINC000335933142 380122043 /nfs/dbraw/zinc/12/20/43/380122043.db2.gz DVIUVTGFQZQAKY-UHFFFAOYSA-N -1 1 266.659 2.832 20 0 CFADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])c(C)n1C ZINC000335933127 380122552 /nfs/dbraw/zinc/12/25/52/380122552.db2.gz BLPQBTCLYOHFME-UHFFFAOYSA-N -1 1 262.284 2.739 20 0 CFADMM C/C(=C\c1ccc(F)cc1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000176323548 380214519 /nfs/dbraw/zinc/21/45/19/380214519.db2.gz ZASLXULHDPJQRK-VNDWYCCKSA-N -1 1 279.311 2.803 20 0 CFADMM O=C(NC[C@H]1CCCCS1)c1c(F)ccc([O-])c1F ZINC000336590916 380515482 /nfs/dbraw/zinc/51/54/82/380515482.db2.gz ONKMWSZPNSMEKQ-MRVPVSSYSA-N -1 1 287.331 2.686 20 0 CFADMM COc1ccccc1S(=O)(=O)[N-]c1c(C)cccc1F ZINC000180742270 380695403 /nfs/dbraw/zinc/69/54/03/380695403.db2.gz FDXPGKYUVQRTLT-UHFFFAOYSA-N -1 1 295.335 2.944 20 0 CFADMM CC(=O)c1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000180841876 380705805 /nfs/dbraw/zinc/70/58/05/380705805.db2.gz RMZWPHZQIZSFEJ-UHFFFAOYSA-N -1 1 271.272 2.553 20 0 CFADMM CC(C)[C@H]1CN(C(=O)c2ccc([O-])cc2F)CCS1 ZINC000181245160 380762878 /nfs/dbraw/zinc/76/28/78/380762878.db2.gz REEZLIYPAKIOHV-CYBMUJFWSA-N -1 1 283.368 2.745 20 0 CFADMM COC(=O)c1csc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000181263950 380767506 /nfs/dbraw/zinc/76/75/06/380767506.db2.gz BFIIKIXXIJZLTH-UHFFFAOYSA-N -1 1 295.291 2.632 20 0 CFADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1C[C@@H](O)C1 ZINC000636242557 383749356 /nfs/dbraw/zinc/74/93/56/383749356.db2.gz JDXVVARBAHRPOE-DTORHVGOSA-N -1 1 291.734 2.908 20 0 CFADMM O=C(N[C@@H]1CCCc2occc21)c1ccc([O-])cc1F ZINC000181109574 380741403 /nfs/dbraw/zinc/74/14/03/380741403.db2.gz SWHZOMLWYJZODF-CYBMUJFWSA-N -1 1 275.279 2.932 20 0 CFADMM COc1cc(F)ccc1NC(=O)c1ccc([O-])cc1F ZINC000181114116 380742534 /nfs/dbraw/zinc/74/25/34/380742534.db2.gz GNMHWVSHRRKPCJ-UHFFFAOYSA-N -1 1 279.242 2.931 20 0 CFADMM C[C@@H]1CCC[C@H](CNC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000287308870 380800732 /nfs/dbraw/zinc/80/07/32/380800732.db2.gz UHNQBMGTLVCIGA-NEPJUHHUSA-N -1 1 275.348 2.517 20 0 CFADMM O=C(NCCC[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000401440957 380871410 /nfs/dbraw/zinc/87/14/10/380871410.db2.gz ZGRLGNCWHYGBNV-SNVBAGLBSA-N -1 1 283.755 2.592 20 0 CFADMM CC[C@@H]1CCC[C@H](NC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000287413907 380826477 /nfs/dbraw/zinc/82/64/77/380826477.db2.gz AQKZKKJGLWRHGQ-YPMHNXCESA-N -1 1 275.348 2.660 20 0 CFADMM CCOC(=O)CN(Cc1cccc([O-])c1Cl)C1CC1 ZINC000295476570 380879673 /nfs/dbraw/zinc/87/96/73/380879673.db2.gz WWEJULSFHMRLMF-UHFFFAOYSA-N -1 1 283.755 2.573 20 0 CFADMM CC(C)(CO)CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000295546501 380931829 /nfs/dbraw/zinc/93/18/29/380931829.db2.gz XGRIPNJPLRQQKY-UHFFFAOYSA-N -1 1 287.359 2.684 20 0 CFADMM COC1(CNC(=O)c2cc3ccccc3cc2[O-])CCC1 ZINC000181983909 380956406 /nfs/dbraw/zinc/95/64/06/380956406.db2.gz ZMKYSELFJFRURL-UHFFFAOYSA-N -1 1 285.343 2.844 20 0 CFADMM Cc1ccc(C(=O)Nc2ccncc2[O-])c(Cl)c1C ZINC000341497667 381049151 /nfs/dbraw/zinc/04/91/51/381049151.db2.gz LGFGVXKBASJOGN-UHFFFAOYSA-N -1 1 276.723 2.732 20 0 CFADMM Cc1cc(CSc2nc(C(F)F)cc(=O)[n-]2)no1 ZINC000289605763 381063488 /nfs/dbraw/zinc/06/34/88/381063488.db2.gz TWZRZRBNYSFQTM-UHFFFAOYSA-N -1 1 273.264 2.709 20 0 CFADMM CO[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1(C)C ZINC000295780247 381070045 /nfs/dbraw/zinc/07/00/45/381070045.db2.gz CYUMTSFEZNACPD-ZDUSSCGKSA-N -1 1 297.782 2.933 20 0 CFADMM CC[C@@H](C)[C@@H](NC(C)=O)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000354244730 381162115 /nfs/dbraw/zinc/16/21/15/381162115.db2.gz RBCSZDCCWJNCEN-AMIZOPFISA-N -1 1 298.770 2.535 20 0 CFADMM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182875760 381177751 /nfs/dbraw/zinc/17/77/51/381177751.db2.gz QGGKPXWPLGNMOL-LDYMZIIASA-N -1 1 281.739 2.989 20 0 CFADMM CCCCO[C@@H](C)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000359095142 381261870 /nfs/dbraw/zinc/26/18/70/381261870.db2.gz QBCOCTFTEZVQMY-JTQLQIEISA-N -1 1 293.392 2.704 20 0 CFADMM CCc1cccnc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000347659500 381282472 /nfs/dbraw/zinc/28/24/72/381282472.db2.gz 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/nfs/dbraw/zinc/57/25/67/381572567.db2.gz VTLBDYRFVXFLHL-IUCAKERBSA-N -1 1 291.301 2.761 20 0 CFADMM CCC[C@@](C)(CC)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000355031755 381574182 /nfs/dbraw/zinc/57/41/82/381574182.db2.gz BHDJYBFOMAYYLW-SNVBAGLBSA-N -1 1 278.278 2.978 20 0 CFADMM O=C(COc1cc(F)cc(F)c1)Nc1ccc(F)cc1[O-] ZINC000355011371 381564699 /nfs/dbraw/zinc/56/46/99/381564699.db2.gz KQVAXJBKQPJJRQ-UHFFFAOYSA-N -1 1 297.232 2.827 20 0 CFADMM CC[C@H](C)N(CC(=O)[O-])Cc1cnc(N(CC)CC)s1 ZINC000414671849 381597775 /nfs/dbraw/zinc/59/77/75/381597775.db2.gz BMWOPFDDNOGXQG-NSHDSACASA-N -1 1 299.440 2.674 20 0 CFADMM CCO[N-]C(=O)[C@@H](C)c1cccc(Br)c1 ZINC000290977097 381617792 /nfs/dbraw/zinc/61/77/92/381617792.db2.gz POROFVOIZLKGQX-QMMMGPOBSA-N -1 1 272.142 2.620 20 0 CFADMM O=S(=O)([N-]CC1CCC1)c1c(F)cccc1Cl ZINC000185446218 381634320 /nfs/dbraw/zinc/63/43/20/381634320.db2.gz YGMVMLCODULJKW-UHFFFAOYSA-N -1 1 277.748 2.558 20 0 CFADMM Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000371572746 381660713 /nfs/dbraw/zinc/66/07/13/381660713.db2.gz SDENYLKTQBSSOE-QWRGUYRKSA-N -1 1 291.738 2.521 20 0 CFADMM Cn1cc([C@H]2C[C@@H]2C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000371572743 381661258 /nfs/dbraw/zinc/66/12/58/381661258.db2.gz SDENYLKTQBSSOE-MNOVXSKESA-N -1 1 291.738 2.521 20 0 CFADMM CC1CCC(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000359930639 381685705 /nfs/dbraw/zinc/68/57/05/381685705.db2.gz SOOWONPJAIKLJD-UHFFFAOYSA-N -1 1 290.289 2.978 20 0 CFADMM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000359937928 381690897 /nfs/dbraw/zinc/69/08/97/381690897.db2.gz JSBVKJKYHVIHBP-NXEZZACHSA-N -1 1 289.347 2.679 20 0 CFADMM CC[C@H](C)CCCCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000680215266 542289450 /nfs/dbraw/zinc/28/94/50/542289450.db2.gz RWJIJQHVHXIRGJ-QWHCGFSZSA-N -1 1 293.415 2.512 20 0 CFADMM CCN(CCC1CC1)C(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000355312609 381744194 /nfs/dbraw/zinc/74/41/94/381744194.db2.gz HVDDCWRTNVKOJW-UHFFFAOYSA-N -1 1 299.374 2.906 20 0 CFADMM CCN(CCC1CC1)C(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000355312609 381744212 /nfs/dbraw/zinc/74/42/12/381744212.db2.gz HVDDCWRTNVKOJW-UHFFFAOYSA-N -1 1 299.374 2.906 20 0 CFADMM Cc1cccc2c(=O)c(C(=O)N3CC4(C3)CCCC4)c[nH]c12 ZINC000372476923 381821400 /nfs/dbraw/zinc/82/14/00/381821400.db2.gz YLKHTEGWRLASIV-UHFFFAOYSA-N -1 1 296.370 2.853 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)c2occc2C(C)C)n1 ZINC000415649120 381866090 /nfs/dbraw/zinc/86/60/90/381866090.db2.gz PUFSCRUMCRTLJP-UHFFFAOYSA-N -1 1 291.307 2.555 20 0 CFADMM CCc1cc(=O)[n-]c(SC[C@H]2Cc3ccccc3O2)n1 ZINC000373045044 381916872 /nfs/dbraw/zinc/91/68/72/381916872.db2.gz RABRICWUKCBHKB-GFCCVEGCSA-N -1 1 288.372 2.840 20 0 CFADMM O=C(Cc1cccc2ccccc21)[N-]O[C@H]1CCCCO1 ZINC000299486604 381958105 /nfs/dbraw/zinc/95/81/05/381958105.db2.gz BDYIFMLPJJIBPU-KRWDZBQOSA-N -1 1 285.343 2.957 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCC1=O ZINC000186572611 381952012 /nfs/dbraw/zinc/95/20/12/381952012.db2.gz PCCUVZSLOBJMKI-LLVKDONJSA-N -1 1 283.327 2.597 20 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C[C@@H](c1cccs1)N(C)C(=O)c1ncccc1[O-] ZINC000049716966 393614106 /nfs/dbraw/zinc/61/41/06/393614106.db2.gz UQFPXQQEAOPWEH-VIFPVBQESA-N -1 1 262.334 2.682 20 0 CFADMM Cc1cnc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000408374316 393626730 /nfs/dbraw/zinc/62/67/30/393626730.db2.gz ONPHGABBALAXJN-XQQFMLRXSA-N -1 1 274.364 2.746 20 0 CFADMM CC[C@@H](C)C[N@H+](CC)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192612389 393628049 /nfs/dbraw/zinc/62/80/49/393628049.db2.gz ITUCCUJVGRYWTI-PWSUYJOCSA-N -1 1 251.374 2.920 20 0 CFADMM CCOc1ccc(S(=O)(=O)[N-]c2cncc(C)c2)cc1 ZINC000074834505 393664980 /nfs/dbraw/zinc/66/49/80/393664980.db2.gz LBQJAKXNYRGAHP-UHFFFAOYSA-N -1 1 292.360 2.590 20 0 CFADMM CO[C@H](C)c1nc(=N[C@@H]2CCCC[C@@H]2C)s[n-]1 ZINC000336697101 393746050 /nfs/dbraw/zinc/74/60/50/393746050.db2.gz JGVLTUSJCFTABK-IVZWLZJFSA-N -1 1 255.387 2.658 20 0 CFADMM O=C(NCCCn1ccnc1)c1ccc2ccccc2c1[O-] ZINC000078566183 393709664 /nfs/dbraw/zinc/70/96/64/393709664.db2.gz WTRGHXSCZJPIMX-UHFFFAOYSA-N -1 1 295.342 2.562 20 0 CFADMM CCc1cc(=O)[n-]c(SCCc2ccc(F)c(F)c2)n1 ZINC000195077007 393730416 /nfs/dbraw/zinc/73/04/16/393730416.db2.gz NYHJECMTPAKUED-UHFFFAOYSA-N -1 1 296.342 2.945 20 0 CFADMM CC(C)(NC(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000227507992 393772519 /nfs/dbraw/zinc/77/25/19/393772519.db2.gz DDJBJIHWMGGRID-UHFFFAOYSA-N -1 1 253.729 2.964 20 0 CFADMM O=C(N[C@H](CCO)C1CCCCC1)c1cc(F)ccc1[O-] ZINC000092757394 393789647 /nfs/dbraw/zinc/78/96/47/393789647.db2.gz WMDNZOAGWSGYQO-CQSZACIVSA-N -1 1 295.354 2.592 20 0 CFADMM CCC[C@H](NC(=O)[C@H]1CC[C@H](C(C)C)CC1)c1nn[n-]n1 ZINC000245534498 393813462 /nfs/dbraw/zinc/81/34/62/393813462.db2.gz HWCSBORXPJGZQX-AVGNSLFASA-N -1 1 293.415 2.620 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@H](C(=O)OCC)C(C)C)n1 ZINC000470900773 393901843 /nfs/dbraw/zinc/90/18/43/393901843.db2.gz DXANJDGTUFIFPA-LBPRGKRZSA-N -1 1 298.408 2.815 20 0 CFADMM O=C(NCCn1cccc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876621 542865189 /nfs/dbraw/zinc/86/51/89/542865189.db2.gz ZKEGQHVTHIZZIX-UHFFFAOYSA-N -1 1 298.264 2.643 20 0 CFADMM O=S(=O)([N-][C@@H]1CCC[C@@H]2C[C@@H]21)c1sccc1Cl ZINC000416552223 393927060 /nfs/dbraw/zinc/92/70/60/393927060.db2.gz AYMWYCAFJLVHFH-KHQFGBGNSA-N -1 1 291.825 2.868 20 0 CFADMM O=C(Nc1ccc2nccnc2c1)c1ccccc1[O-] ZINC000120520496 393934501 /nfs/dbraw/zinc/93/45/01/393934501.db2.gz SARCUDAHLQBSRW-UHFFFAOYSA-N -1 1 265.272 2.588 20 0 CFADMM CSCCCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000126261740 394024670 /nfs/dbraw/zinc/02/46/70/394024670.db2.gz FQIWEFUGEFCPJD-UHFFFAOYSA-N -1 1 273.785 2.919 20 0 CFADMM Cc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)o1 ZINC000417612128 393983519 /nfs/dbraw/zinc/98/35/19/393983519.db2.gz BLSPZXWXHHZGKM-GJZGRUSLSA-N -1 1 271.316 2.991 20 0 CFADMM Cc1ccoc1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417627530 393986602 /nfs/dbraw/zinc/98/66/02/393986602.db2.gz OFVSZIAQGFIJBD-KGLIPLIRSA-N -1 1 271.316 2.991 20 0 CFADMM Cc1cnc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000417628594 393986722 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394029924 /nfs/dbraw/zinc/02/99/24/394029924.db2.gz UXOQSTZDNKKDBH-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM CN(CCCc1ccccc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436905140 394032752 /nfs/dbraw/zinc/03/27/52/394032752.db2.gz ZHHPSGLEYWJJSA-UHFFFAOYSA-N -1 1 297.354 2.666 20 0 CFADMM Cn1nc2ccccc2c1C(=O)Nc1ccc(F)cc1[O-] ZINC000436897809 394032799 /nfs/dbraw/zinc/03/27/99/394032799.db2.gz COGSTWYWARQZAS-UHFFFAOYSA-N -1 1 285.278 2.670 20 0 CFADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)C1CCC1 ZINC000436917233 394034119 /nfs/dbraw/zinc/03/41/19/394034119.db2.gz WPFQPSNVODSAGJ-UHFFFAOYSA-N -1 1 292.726 2.569 20 0 CFADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)C1CCC1 ZINC000436917233 394034122 /nfs/dbraw/zinc/03/41/22/394034122.db2.gz WPFQPSNVODSAGJ-UHFFFAOYSA-N -1 1 292.726 2.569 20 0 CFADMM CCc1cc(=O)[n-]c(S[C@H](C)c2cnc(C)cn2)n1 ZINC000488268897 394036380 /nfs/dbraw/zinc/03/63/80/394036380.db2.gz XHRUHSLQGHIXJI-SECBINFHSA-N -1 1 276.365 2.696 20 0 CFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCC(F)(F)C1 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Cc1cccc(OCCNC(=O)c2cc(F)ccc2[O-])c1 ZINC000149012245 394248564 /nfs/dbraw/zinc/24/85/64/394248564.db2.gz HBTSISOPWVGQLX-UHFFFAOYSA-N -1 1 289.306 2.649 20 0 CFADMM Cc1ccsc1CNC(=O)c1cc(F)ccc1[O-] ZINC000149091112 394248640 /nfs/dbraw/zinc/24/86/40/394248640.db2.gz IILWVBINWYDWRQ-UHFFFAOYSA-N -1 1 265.309 2.831 20 0 CFADMM CC1CCC2(CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC000363410245 394196266 /nfs/dbraw/zinc/19/62/66/394196266.db2.gz DGEBMVQIODHNSW-UHFFFAOYSA-N -1 1 274.364 2.830 20 0 CFADMM CCC[C@@H](NC(=O)C[C@H]1CCCC(C)(C)C1)c1nn[n-]n1 ZINC000155474707 394317226 /nfs/dbraw/zinc/31/72/26/394317226.db2.gz WOZGZKWQRPAUET-VXGBXAGGSA-N -1 1 293.415 2.764 20 0 CFADMM Cc1nc(S[C@@H]2C[C@H](C)CCC2=O)[n-]c(=O)c1C ZINC000450900924 394343253 /nfs/dbraw/zinc/34/32/53/394343253.db2.gz GKRSFMNJKWHWRI-RDDDGLTNSA-N -1 1 266.366 2.649 20 0 CFADMM CC[C@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)C(F)F ZINC000451082958 394356207 /nfs/dbraw/zinc/35/62/07/394356207.db2.gz OUNNQQUKPDYSKM-PWSUYJOCSA-N -1 1 291.363 2.753 20 0 CFADMM CCC1(C[N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC000451290620 394373864 /nfs/dbraw/zinc/37/38/64/394373864.db2.gz MDXRNCWBOANGKT-UHFFFAOYSA-N -1 1 279.814 2.870 20 0 CFADMM COCCC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000529633736 394417519 /nfs/dbraw/zinc/41/75/19/394417519.db2.gz TYDFEFYVNHMZEQ-UHFFFAOYSA-N -1 1 297.782 2.934 20 0 CFADMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cc(Cl)ccc1[O-] ZINC000529989633 394439425 /nfs/dbraw/zinc/43/94/25/394439425.db2.gz XZEAZXSPBRKMBO-NMSKTSORSA-N -1 1 283.755 2.587 20 0 CFADMM Cc1ccc([C@@H]2CCCN2Cc2cnc(C(=O)[O-])cn2)cc1 ZINC000530162449 394463051 /nfs/dbraw/zinc/46/30/51/394463051.db2.gz PAUOPITWPGRQBG-INIZCTEOSA-N -1 1 297.358 2.820 20 0 CFADMM O=C([O-])[C@H](c1ccccc1F)N1CCC(F)(F)CC1 ZINC000530171763 394467301 /nfs/dbraw/zinc/46/73/01/394467301.db2.gz DRWUKEOOGQBGEV-NSHDSACASA-N -1 1 273.254 2.683 20 0 CFADMM CC(C)n1ccnc1CN1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C ZINC000530175131 394469573 /nfs/dbraw/zinc/46/95/73/394469573.db2.gz NUBGZWJLKOGCJL-RYUDHWBXSA-N -1 1 279.384 2.538 20 0 CFADMM CC(C)n1ccc(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)n1 ZINC000530174896 394470267 /nfs/dbraw/zinc/47/02/67/394470267.db2.gz MUOZKFGUNGWCQE-CLLJXQQHSA-N -1 1 279.384 2.538 20 0 CFADMM CC(C)(C(=O)Nc1cccc(F)c1[O-])C1CCOCC1 ZINC000530004744 394441330 /nfs/dbraw/zinc/44/13/30/394441330.db2.gz FYLRNPOAMYIAPI-UHFFFAOYSA-N -1 1 281.327 2.923 20 0 CFADMM CC[C@@H](C)[C@@H](OC)C(=O)Nc1cccc(F)c1[O-] ZINC000530005048 394441369 /nfs/dbraw/zinc/44/13/69/394441369.db2.gz HNAFNSZMOVNKKR-PRHODGIISA-N -1 1 255.289 2.531 20 0 CFADMM CO[C@@H]1CCC[C@H](C(=O)Nc2cccc(F)c2[O-])C1 ZINC000530004250 394441453 /nfs/dbraw/zinc/44/14/53/394441453.db2.gz IKPDMHHYBIDZRT-VHSXEESVSA-N -1 1 267.300 2.675 20 0 CFADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cccc(F)c1[O-] ZINC000530005614 394441726 /nfs/dbraw/zinc/44/17/26/394441726.db2.gz JMGSRRYXZYDNGY-QMMMGPOBSA-N -1 1 291.326 2.624 20 0 CFADMM COC(=O)[C@@H](CC(C)(C)C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000542006239 394693892 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CFADMM Clc1cc(-c2ccc(-c3nn[n-]n3)nc2)cc(Cl)n1 ZINC001243367845 782164725 /nfs/dbraw/zinc/16/47/25/782164725.db2.gz IKCCPNLMEGVRLX-UHFFFAOYSA-N -1 1 293.117 2.631 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCCc2n[nH]cc21 ZINC000334857359 527235617 /nfs/dbraw/zinc/23/56/17/527235617.db2.gz OPROAHWTQBPRFS-VIFPVBQESA-N -1 1 291.738 2.827 20 0 CFADMM O=S(=O)([N-][C@@H]1CC[C@H](F)C1)c1cc2ccccc2o1 ZINC000336363283 527238257 /nfs/dbraw/zinc/23/82/57/527238257.db2.gz SLGGJVFRAQPVEB-WDEREUQCSA-N -1 1 283.324 2.602 20 0 CFADMM Cn1nc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1C1CC1 ZINC000334408856 527548304 /nfs/dbraw/zinc/54/83/04/527548304.db2.gz IJMSDXNWDLPISE-UHFFFAOYSA-N -1 1 291.738 2.909 20 0 CFADMM [O-]c1cccc(CNc2cnccc2CO)c1Cl ZINC000339321179 527638701 /nfs/dbraw/zinc/63/87/01/527638701.db2.gz OMSYTWVQPDYJSA-UHFFFAOYSA-N -1 1 264.712 2.545 20 0 CFADMM CCOC(=O)[C@H](CC)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000413658389 528003943 /nfs/dbraw/zinc/00/39/43/528003943.db2.gz RIIBGHFURXGHCD-SECBINFHSA-N -1 1 285.727 2.573 20 0 CFADMM CCC[C@H](C)C[C@@H](NCc1occc1C)C(=O)[O-] ZINC000426819827 528039566 /nfs/dbraw/zinc/03/95/66/528039566.db2.gz JDVBJDCKVRJVPP-CMPLNLGQSA-N -1 1 253.342 2.957 20 0 CFADMM CC(C)C[C@@H](C)n1nccc1NC(=O)c1cncc([O-])c1 ZINC000426889036 528282508 /nfs/dbraw/zinc/28/25/08/528282508.db2.gz CSTZWXMFLCZPSZ-LLVKDONJSA-N -1 1 288.351 2.843 20 0 CFADMM CCCNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000192738124 528442878 /nfs/dbraw/zinc/44/28/78/528442878.db2.gz YAJYWMDUROINMP-UHFFFAOYSA-N -1 1 257.717 2.584 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)NC(C)(C)C)n1 ZINC000015805339 528613287 /nfs/dbraw/zinc/61/32/87/528613287.db2.gz IOHOICZVSKUFRC-SECBINFHSA-N -1 1 297.424 2.530 20 0 CFADMM CC(C)[C@@H]1C[C@@H](CNC(=O)c2ccc([O-])cc2F)CCO1 ZINC000452845049 535267756 /nfs/dbraw/zinc/26/77/56/535267756.db2.gz RQVAVLYDXQUEBI-NHYWBVRUSA-N -1 1 295.354 2.712 20 0 CFADMM CC(C)OCCCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456782679 535323018 /nfs/dbraw/zinc/32/30/18/535323018.db2.gz KGKZMNHEXZRDIJ-UHFFFAOYSA-N -1 1 273.279 2.814 20 0 CFADMM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451486224 535921532 /nfs/dbraw/zinc/92/15/32/535921532.db2.gz CVMXQJWTPLKEJE-LDYMZIIASA-N -1 1 283.324 2.649 20 0 CFADMM CCc1ncc(CNCc2cccc(C(=O)[O-])c2)s1 ZINC000666584299 545499025 /nfs/dbraw/zinc/49/90/25/545499025.db2.gz NHOSGFCRPQPLRO-UHFFFAOYSA-N -1 1 276.361 2.694 20 0 CFADMM O=C(C[C@H]1CC[C@@H](C2CC2)O1)Nc1ccc(F)cc1[O-] ZINC000935101124 649875658 /nfs/dbraw/zinc/87/56/58/649875658.db2.gz UXJCZHUMHUSQHI-RISCZKNCSA-N -1 1 279.311 2.818 20 0 CFADMM CCCCCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736447045 574054303 /nfs/dbraw/zinc/05/43/03/574054303.db2.gz MYLHHVIVNBCAOU-UHFFFAOYSA-N -1 1 297.366 2.802 20 0 CFADMM CCCCCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736447045 574054305 /nfs/dbraw/zinc/05/43/05/574054305.db2.gz MYLHHVIVNBCAOU-UHFFFAOYSA-N -1 1 297.366 2.802 20 0 CFADMM CCCCCC[C@@H](C)CC(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000736444595 574055106 /nfs/dbraw/zinc/05/51/06/574055106.db2.gz HTHQEYNTKDFNSY-CHWSQXEVSA-N -1 1 295.431 2.758 20 0 CFADMM CC(C)c1ccc(NC(=O)[C@H]2CCCN2C)c(C(=O)[O-])c1 ZINC000736513511 574057709 /nfs/dbraw/zinc/05/77/09/574057709.db2.gz FTBKMTOGRZTNBA-CQSZACIVSA-N -1 1 290.363 2.541 20 0 CFADMM CCc1ccc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000736683937 574065440 /nfs/dbraw/zinc/06/54/40/574065440.db2.gz GDEPWBLQQMKYJK-NSHDSACASA-N -1 1 294.362 2.997 20 0 CFADMM CCc1ccc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000736683937 574065441 /nfs/dbraw/zinc/06/54/41/574065441.db2.gz GDEPWBLQQMKYJK-NSHDSACASA-N -1 1 294.362 2.997 20 0 CFADMM CN(C)[C@H](C(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC000744313738 574066453 /nfs/dbraw/zinc/06/64/53/574066453.db2.gz MVTTYOKGFVNSBX-INIZCTEOSA-N -1 1 284.359 2.537 20 0 CFADMM CSCCCCNC(=O)c1c([O-])cccc1Cl ZINC000736689865 574066572 /nfs/dbraw/zinc/06/65/72/574066572.db2.gz XFDFSHXSJBFVEJ-UHFFFAOYSA-N -1 1 273.785 2.919 20 0 CFADMM C[C@@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)C1CC1 ZINC000754036666 574086062 /nfs/dbraw/zinc/08/60/62/574086062.db2.gz FJLPPDSRSOFMAI-JTQLQIEISA-N -1 1 279.361 2.757 20 0 CFADMM O=C([O-])N1CCC[C@@H]1CNCc1c(F)cccc1Cl ZINC000740521894 574104844 /nfs/dbraw/zinc/10/48/44/574104844.db2.gz WTBVKZSHENFWEY-SECBINFHSA-N -1 1 286.734 2.711 20 0 CFADMM CCc1n[nH]c(S[C@H](C(=O)[O-])c2cccc(Cl)c2)n1 ZINC000737286892 574134246 /nfs/dbraw/zinc/13/42/46/574134246.db2.gz BEBVNVKYFCUJFQ-JTQLQIEISA-N -1 1 297.767 2.939 20 0 CFADMM CCc1nc(S[C@H](C(=O)[O-])c2cccc(Cl)c2)n[nH]1 ZINC000737286892 574134249 /nfs/dbraw/zinc/13/42/49/574134249.db2.gz BEBVNVKYFCUJFQ-JTQLQIEISA-N -1 1 297.767 2.939 20 0 CFADMM Cc1cccc([C@@H](C)CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000737389442 574138629 /nfs/dbraw/zinc/13/86/29/574138629.db2.gz OPCVHMOOLFUBGB-LBPRGKRZSA-N -1 1 294.362 2.786 20 0 CFADMM Cc1cccc([C@@H](C)CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000737389442 574138630 /nfs/dbraw/zinc/13/86/30/574138630.db2.gz OPCVHMOOLFUBGB-LBPRGKRZSA-N -1 1 294.362 2.786 20 0 CFADMM CC[C@@H](C)c1ccc(OS(=O)(=O)c2c[n-]nc2C)cc1 ZINC000732215652 574147450 /nfs/dbraw/zinc/14/74/50/574147450.db2.gz UQUBZQWMBOSMEN-SNVBAGLBSA-N -1 1 294.376 2.999 20 0 CFADMM Clc1ccc(NC[C@H]2CC=CCC2)nc1-c1nnn[n-]1 ZINC000737572943 574148052 /nfs/dbraw/zinc/14/80/52/574148052.db2.gz BTGWQFRLMPSOEQ-VIFPVBQESA-N -1 1 290.758 2.683 20 0 CFADMM Clc1ccc(NC[C@H]2CC=CCC2)nc1-c1nn[n-]n1 ZINC000737572943 574148056 /nfs/dbraw/zinc/14/80/56/574148056.db2.gz BTGWQFRLMPSOEQ-VIFPVBQESA-N -1 1 290.758 2.683 20 0 CFADMM Clc1ccc(NCC2CCCCC2)nc1-c1nnn[n-]1 ZINC000737574230 574148256 /nfs/dbraw/zinc/14/82/56/574148256.db2.gz MRORVYNSMILGDQ-UHFFFAOYSA-N -1 1 292.774 2.907 20 0 CFADMM Clc1ccc(NCC2CCCCC2)nc1-c1nn[n-]n1 ZINC000737574230 574148258 /nfs/dbraw/zinc/14/82/58/574148258.db2.gz MRORVYNSMILGDQ-UHFFFAOYSA-N -1 1 292.774 2.907 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](C(C)C)C1 ZINC000755624973 574172888 /nfs/dbraw/zinc/17/28/88/574172888.db2.gz YUAOIIUZOPVZAB-GFCCVEGCSA-N -1 1 291.395 2.732 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCC1CCC1 ZINC000755643830 574174455 /nfs/dbraw/zinc/17/44/55/574174455.db2.gz AZDYGYXMIGKDQB-UHFFFAOYSA-N -1 1 277.368 2.534 20 0 CFADMM C[C@@]1(CCCO)CCCN1C(=O)c1c([O-])cccc1Cl ZINC000755731235 574181793 /nfs/dbraw/zinc/18/17/93/574181793.db2.gz RYFAZILIBGPAIT-HNNXBMFYSA-N -1 1 297.782 2.813 20 0 CFADMM C[C@@H](NCCNC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000739034360 574194367 /nfs/dbraw/zinc/19/43/67/574194367.db2.gz MAJHUNLNQGGDHQ-SNVBAGLBSA-N -1 1 291.376 2.728 20 0 CFADMM C[C@@H](c1ccccc1Cl)N(C)CCCNC(=O)[O-] ZINC000739055768 574195250 /nfs/dbraw/zinc/19/52/50/574195250.db2.gz BWFBFWMXXQEXRJ-JTQLQIEISA-N -1 1 270.760 2.991 20 0 CFADMM C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739057040 574195431 /nfs/dbraw/zinc/19/54/31/574195431.db2.gz KSJCCSAZLXTNDN-QWRGUYRKSA-N -1 1 298.333 2.958 20 0 CFADMM C[C@H](c1cc(F)ccc1F)N(C)CCCNC(=O)[O-] ZINC000739055973 574195557 /nfs/dbraw/zinc/19/55/57/574195557.db2.gz ZDYDYVDXDAEDCV-SECBINFHSA-N -1 1 272.295 2.615 20 0 CFADMM C[C@@H]1CN(Cc2cccc(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000739191522 574200450 /nfs/dbraw/zinc/20/04/50/574200450.db2.gz PKQJWSJBFBKOCO-ZWNOBZJWSA-N -1 1 282.771 2.818 20 0 CFADMM O=C([O-])C[C@H]1CCCCN1Cc1ccc(Cl)nc1 ZINC000739638939 574221264 /nfs/dbraw/zinc/22/12/64/574221264.db2.gz GURNWDXTBZLFMB-LLVKDONJSA-N -1 1 268.744 2.564 20 0 CFADMM CN(C[C@H]1CCN(Cc2ccc(Cl)s2)C1)C(=O)[O-] ZINC000739666738 574223282 /nfs/dbraw/zinc/22/32/82/574223282.db2.gz UMZJNGNTWZCYBN-SECBINFHSA-N -1 1 288.800 2.833 20 0 CFADMM COc1ccccc1/C=C\CNCc1cc(C(=O)[O-])co1 ZINC000756305889 574223450 /nfs/dbraw/zinc/22/34/50/574223450.db2.gz COKUUYBCHPVKHF-XQRVVYSFSA-N -1 1 287.315 2.789 20 0 CFADMM CC[C@H](C)COC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000756388884 574232704 /nfs/dbraw/zinc/23/27/04/574232704.db2.gz CYHVHHODQBQTSI-NSHDSACASA-N -1 1 299.392 2.651 20 0 CFADMM O=C([O-])c1ccc(CNCc2c[nH]nc2-c2ccccc2)o1 ZINC000740133120 574238759 /nfs/dbraw/zinc/23/87/59/574238759.db2.gz WJJZTZJTMLYDQG-UHFFFAOYSA-N -1 1 297.314 2.658 20 0 CFADMM O=C(O[C@H]1C=CCCC1)c1c([O-])cc(F)cc1F ZINC000733471965 574240090 /nfs/dbraw/zinc/24/00/90/574240090.db2.gz ZQZSBYDTSLRODT-VIFPVBQESA-N -1 1 254.232 2.936 20 0 CFADMM Cc1nc(CN[C@@](C)(CNC(=O)[O-])CC(C)C)cs1 ZINC000740224716 574243391 /nfs/dbraw/zinc/24/33/91/574243391.db2.gz RWABEHJTVMASKZ-CYBMUJFWSA-N -1 1 285.413 2.614 20 0 CFADMM O=C([O-])N(CCCNCc1c(F)cccc1F)C1CC1 ZINC000740488416 574250355 /nfs/dbraw/zinc/25/03/55/574250355.db2.gz CIVZUJMXFTXVNF-UHFFFAOYSA-N -1 1 284.306 2.587 20 0 CFADMM O=C([O-])N1CCC[C@H](NCc2c(F)cccc2Cl)C1 ZINC000740513324 574252226 /nfs/dbraw/zinc/25/22/26/574252226.db2.gz HGYJITAYCQCLRK-VIFPVBQESA-N -1 1 286.734 2.711 20 0 CFADMM O=C([O-])NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000740611183 574258057 /nfs/dbraw/zinc/25/80/57/574258057.db2.gz CSKWHTDFGYLEFW-LBPRGKRZSA-N -1 1 268.744 2.745 20 0 CFADMM CC(C)(C)c1nc(CN2CCC[C@H]2CC(=O)[O-])cs1 ZINC000042162881 574261410 /nfs/dbraw/zinc/26/14/10/574261410.db2.gz MPEQQGKSQQUCIF-NSHDSACASA-N -1 1 282.409 2.880 20 0 CFADMM CC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(Cl)cc1[O-] ZINC000748690186 574263097 /nfs/dbraw/zinc/26/30/97/574263097.db2.gz LWRKAUJWSOUHDY-AWEZNQCLSA-N -1 1 299.754 2.507 20 0 CFADMM CC[C@H](NC(=O)c1c([O-])cccc1Cl)[C@@H]1CCCO1 ZINC000756810388 574264672 /nfs/dbraw/zinc/26/46/72/574264672.db2.gz XMYBLQIRVDJOME-JQWIXIFHSA-N -1 1 283.755 2.733 20 0 CFADMM C[C@@H](NC(=O)c1ncccc1[O-])c1nc2ccccc2s1 ZINC000734177382 574277090 /nfs/dbraw/zinc/27/70/90/574277090.db2.gz IDGYVLOSTIJDME-SECBINFHSA-N -1 1 299.355 2.888 20 0 CFADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1nc2ccccc2s1 ZINC000734178269 574277537 /nfs/dbraw/zinc/27/75/37/574277537.db2.gz NUWJWTMHWIJVKD-SECBINFHSA-N -1 1 299.355 2.888 20 0 CFADMM C[C@@H]1C[C@H]1c1ccc(C[N-]C(=O)C(F)(F)C(F)F)o1 ZINC000749354853 574290771 /nfs/dbraw/zinc/29/07/71/574290771.db2.gz ZZMKFOVGNNXSON-HTRCEHHLSA-N -1 1 279.233 2.920 20 0 CFADMM CC(C)[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccn1 ZINC000749396668 574293406 /nfs/dbraw/zinc/29/34/06/574293406.db2.gz KCGLWVBCQXSWEH-VIFPVBQESA-N -1 1 278.249 2.795 20 0 CFADMM CCO[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)C1(CC)CC ZINC000749469291 574297027 /nfs/dbraw/zinc/29/70/27/574297027.db2.gz NHRVJICECZOVIK-DTWKUNHWSA-N -1 1 267.291 2.649 20 0 CFADMM CC(C)n1ccc(COC(=O)c2c([O-])cc(F)cc2F)n1 ZINC000735137547 574313491 /nfs/dbraw/zinc/31/34/91/574313491.db2.gz XTFOLTYDBAITQG-UHFFFAOYSA-N -1 1 296.273 2.805 20 0 CFADMM CC(C)[C@H](C)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000735701766 574333679 /nfs/dbraw/zinc/33/36/79/574333679.db2.gz LXUATXXSQFURMT-SNVBAGLBSA-N -1 1 297.366 2.514 20 0 CFADMM CC(C)[C@H](C)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000735701766 574333683 /nfs/dbraw/zinc/33/36/83/574333683.db2.gz LXUATXXSQFURMT-SNVBAGLBSA-N -1 1 297.366 2.514 20 0 CFADMM O=C(COC1CCCCC1)Nc1c([O-])cccc1F ZINC000735925691 574343441 /nfs/dbraw/zinc/34/34/41/574343441.db2.gz ZEJSCJVANAAVCJ-UHFFFAOYSA-N -1 1 267.300 2.819 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1scnc1Cl ZINC000743416250 574363082 /nfs/dbraw/zinc/36/30/82/574363082.db2.gz PJGKMRWXXXZQIH-UHFFFAOYSA-N -1 1 272.688 2.894 20 0 CFADMM CC(C)[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)N(C)C ZINC000736347443 574364285 /nfs/dbraw/zinc/36/42/85/574364285.db2.gz JZHOMJPWKVRHFS-LBPRGKRZSA-N -1 1 298.770 2.563 20 0 CFADMM COC(C)(C)C[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000743698304 574371102 /nfs/dbraw/zinc/37/11/02/574371102.db2.gz OFSPGONRWSPMHG-SECBINFHSA-N -1 1 285.771 2.979 20 0 CFADMM CCc1cnc(CNC(=O)c2c([O-])cccc2Cl)s1 ZINC000743739087 574371672 /nfs/dbraw/zinc/37/16/72/574371672.db2.gz RIPHCLBPVSIMSX-UHFFFAOYSA-N -1 1 296.779 2.995 20 0 CFADMM C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739191568 574374505 /nfs/dbraw/zinc/37/45/05/574374505.db2.gz POTNRXFXONWDQQ-MFKMUULPSA-N -1 1 282.771 2.818 20 0 CFADMM O=C(NCc1ncccc1F)c1c([O-])cccc1Cl ZINC000752627566 574393224 /nfs/dbraw/zinc/39/32/24/574393224.db2.gz OBEAHAKWQNTFDR-UHFFFAOYSA-N -1 1 280.686 2.510 20 0 CFADMM O=C(NN1CCCc2ccccc21)c1ccc([O-])cc1F ZINC000753080192 574398242 /nfs/dbraw/zinc/39/82/42/574398242.db2.gz QMWIYRDEKXGRPB-UHFFFAOYSA-N -1 1 286.306 2.629 20 0 CFADMM C[C@@H]1C[C@H](CCNC(=O)c2c([O-])cccc2Cl)CCO1 ZINC000753152634 574399445 /nfs/dbraw/zinc/39/94/45/574399445.db2.gz YNSBACLFXZYVHN-GHMZBOCLSA-N -1 1 297.782 2.981 20 0 CFADMM CO[C@H]1C[C@H](NC(=O)c2c([O-])cccc2Cl)C1(C)C ZINC000753342948 574401527 /nfs/dbraw/zinc/40/15/27/574401527.db2.gz PMHGGFCGDLRQKR-QWRGUYRKSA-N -1 1 283.755 2.589 20 0 CFADMM Cc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)nc1 ZINC000753770407 574410000 /nfs/dbraw/zinc/41/00/00/574410000.db2.gz LPLRTHTZPHBHNF-UHFFFAOYSA-N -1 1 294.314 2.738 20 0 CFADMM CC[C@H]1CCC[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000095263757 598973732 /nfs/dbraw/zinc/97/37/32/598973732.db2.gz SVHOLLZOMBCMHP-QWRGUYRKSA-N -1 1 272.356 2.642 20 0 CFADMM CC[C@H]1CCC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000095263757 598973734 /nfs/dbraw/zinc/97/37/34/598973734.db2.gz SVHOLLZOMBCMHP-QWRGUYRKSA-N -1 1 272.356 2.642 20 0 CFADMM CC1(C)CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000820595377 599092331 /nfs/dbraw/zinc/09/23/31/599092331.db2.gz HNGUHOBVPIJUEE-UHFFFAOYSA-N -1 1 294.362 2.651 20 0 CFADMM CC1(C)CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000820595377 599092334 /nfs/dbraw/zinc/09/23/34/599092334.db2.gz HNGUHOBVPIJUEE-UHFFFAOYSA-N -1 1 294.362 2.651 20 0 CFADMM CCc1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821496092 607307986 /nfs/dbraw/zinc/30/79/86/607307986.db2.gz BSWBCDQDOBWWJT-UHFFFAOYSA-N -1 1 269.308 2.634 20 0 CFADMM CCc1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000821496092 607307987 /nfs/dbraw/zinc/30/79/87/607307987.db2.gz BSWBCDQDOBWWJT-UHFFFAOYSA-N -1 1 269.308 2.634 20 0 CFADMM CC(C)C[C@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000820068815 607328422 /nfs/dbraw/zinc/32/84/22/607328422.db2.gz UDJXLYGZKGVXOM-GFCCVEGCSA-N -1 1 286.383 2.667 20 0 CFADMM CC(C)C[C@H]1CCCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000820068815 607328423 /nfs/dbraw/zinc/32/84/23/607328423.db2.gz UDJXLYGZKGVXOM-GFCCVEGCSA-N -1 1 286.383 2.667 20 0 CFADMM Cc1[nH]nc2cc(NC(=O)c3ccc(C(=O)[O-])cc3)ccc12 ZINC000821153204 598158902 /nfs/dbraw/zinc/15/89/02/598158902.db2.gz OKZGINBIRCHUHU-UHFFFAOYSA-N -1 1 295.298 2.822 20 0 CFADMM Cc1ncc([C@H](C)NCc2cccc(C(=O)[O-])c2)c(C)n1 ZINC000821189870 598192573 /nfs/dbraw/zinc/19/25/73/598192573.db2.gz BODUSDAUFDQOGR-JTQLQIEISA-N -1 1 285.347 2.642 20 0 CFADMM CC(C)[C@H](N[C@H](C)c1nc2c(s1)CCCC2)C(=O)[O-] ZINC000820154808 598196684 /nfs/dbraw/zinc/19/66/84/598196684.db2.gz YRODSNWXZQOQSC-SKDRFNHKSA-N -1 1 282.409 2.782 20 0 CFADMM C[C@H](CC(=O)[O-])N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000820072351 598217387 /nfs/dbraw/zinc/21/73/87/598217387.db2.gz PVPRHDUHBGSHPZ-BDJLRTHQSA-N -1 1 288.322 2.763 20 0 CFADMM Cc1cc(C)cc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000822196783 599410717 /nfs/dbraw/zinc/41/07/17/599410717.db2.gz XBORCOJZVPACTP-UHFFFAOYSA-N -1 1 269.308 2.689 20 0 CFADMM Cc1cc(C)cc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822196783 599410719 /nfs/dbraw/zinc/41/07/19/599410719.db2.gz XBORCOJZVPACTP-UHFFFAOYSA-N -1 1 269.308 2.689 20 0 CFADMM Cc1ccc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)s1 ZINC000095324741 599415735 /nfs/dbraw/zinc/41/57/35/599415735.db2.gz SUYYRLNLJRQBIN-VIFPVBQESA-N -1 1 286.364 2.805 20 0 CFADMM Cc1ccc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)s1 ZINC000095324741 599415738 /nfs/dbraw/zinc/41/57/38/599415738.db2.gz SUYYRLNLJRQBIN-VIFPVBQESA-N -1 1 286.364 2.805 20 0 CFADMM CC1(C)C[C@@H]1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820589336 599554075 /nfs/dbraw/zinc/55/40/75/599554075.db2.gz BYAFULMUJOUCRJ-SNVBAGLBSA-N -1 1 294.362 2.873 20 0 CFADMM CC1(C)C[C@@H]1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820589336 599554077 /nfs/dbraw/zinc/55/40/77/599554077.db2.gz BYAFULMUJOUCRJ-SNVBAGLBSA-N -1 1 294.362 2.873 20 0 CFADMM O=C([O-])c1coc(CN2CCC(c3nccs3)CC2)c1 ZINC000710754368 599850202 /nfs/dbraw/zinc/85/02/02/599850202.db2.gz ZJWNBLCEPCHRQP-UHFFFAOYSA-N -1 1 292.360 2.814 20 0 CFADMM C[C@H](c1c(F)cccc1F)N(C)C[C@H](C)C(=O)[O-] ZINC000251129450 600373866 /nfs/dbraw/zinc/37/38/66/600373866.db2.gz TWLVKPPPLSPKDO-DTWKUNHWSA-N -1 1 257.280 2.678 20 0 CFADMM CC[C@](C)(NCC(=O)Nc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000094228651 600561237 /nfs/dbraw/zinc/56/12/37/600561237.db2.gz JGPXDYKGDZKECZ-INIZCTEOSA-N -1 1 292.379 2.591 20 0 CFADMM Cc1ccc2nc(CN[C@@H](C(=O)[O-])c3ccccc3)[nH]c2c1 ZINC000832959612 600695548 /nfs/dbraw/zinc/69/55/48/600695548.db2.gz XIWHBNPZPZAWKY-MRXNPFEDSA-N -1 1 295.342 2.787 20 0 CFADMM C[C@H](Nc1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC000737696075 600747280 /nfs/dbraw/zinc/74/72/80/600747280.db2.gz RMTAHBNGQLKLAZ-LBPRGKRZSA-N -1 1 262.353 2.952 20 0 CFADMM C[C@@](NCc1nc2ccccc2s1)(C(=O)[O-])C1CC1 ZINC000827741943 601032605 /nfs/dbraw/zinc/03/26/05/601032605.db2.gz YASLYUFZMVGRJG-AWEZNQCLSA-N -1 1 276.361 2.639 20 0 CFADMM C/C(=C/CN(Cc1ccccc1F)C1CC1)C(=O)[O-] ZINC000825730547 601048404 /nfs/dbraw/zinc/04/84/04/601048404.db2.gz YVEYFVUVPPYVFY-FLIBITNWSA-N -1 1 263.312 2.821 20 0 CFADMM C/C(=C\CN1C[C@H](c2ccccc2)OCC1(C)C)C(=O)[O-] ZINC000825736053 601162228 /nfs/dbraw/zinc/16/22/28/601162228.db2.gz UVOKCLSFLLSHQS-BMQCOBNYSA-N -1 1 289.375 2.869 20 0 CFADMM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc(Cl)c2O)C1 ZINC000833184916 601210981 /nfs/dbraw/zinc/21/09/81/601210981.db2.gz DQYBGMZKZJRWLO-DTWKUNHWSA-N -1 1 297.738 2.875 20 0 CFADMM C[C@H]1CN(Cc2csc(C3CCCC3)n2)C[C@@H]1C(=O)[O-] ZINC000828465323 601515017 /nfs/dbraw/zinc/51/50/17/601515017.db2.gz WZJKNHNWFDEFLF-GWCFXTLKSA-N -1 1 294.420 2.953 20 0 CFADMM C[C@H]1CN(Cc2cc(-c3cccs3)on2)C[C@H]1C(=O)[O-] ZINC000251533069 601538970 /nfs/dbraw/zinc/53/89/70/601538970.db2.gz AKQJARZHIDBLNM-GXSJLCMTSA-N -1 1 292.360 2.556 20 0 CFADMM C[C@H]1CN(Cc2cc(-c3cccs3)on2)C[C@@H]1C(=O)[O-] ZINC000111254522 601539291 /nfs/dbraw/zinc/53/92/91/601539291.db2.gz AKQJARZHIDBLNM-ONGXEEELSA-N -1 1 292.360 2.556 20 0 CFADMM Cc1nc(CNC2(C(=O)[O-])CCCCC2)sc1C ZINC000821171182 601548502 /nfs/dbraw/zinc/54/85/02/601548502.db2.gz HXUHNNYWPQUDGN-UHFFFAOYSA-N -1 1 268.382 2.637 20 0 CFADMM CCCCC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)[O-] ZINC000829333135 601760696 /nfs/dbraw/zinc/76/06/96/601760696.db2.gz IQPWLBGABNHPTM-LLVKDONJSA-N -1 1 299.754 2.809 20 0 CFADMM C[C@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)c2ccccc21 ZINC000900219320 620651872 /nfs/dbraw/zinc/65/18/72/620651872.db2.gz SWMCTYQTSGCDKD-JTQLQIEISA-N -1 1 295.342 2.824 20 0 CFADMM CC(C)[C@H](NCc1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000035391367 601824160 /nfs/dbraw/zinc/82/41/60/601824160.db2.gz DZYIUZFQUFHDRG-NSHDSACASA-N -1 1 297.223 2.581 20 0 CFADMM Cn1cc([C@H]2CCCN2Cc2ccc(C(=O)[O-])s2)cn1 ZINC000313076017 601948820 /nfs/dbraw/zinc/94/88/20/601948820.db2.gz WHOQEQWDVBPOLD-GFCCVEGCSA-N -1 1 291.376 2.517 20 0 CFADMM CC(C)(CC(=O)[O-])NCc1ncc(-c2ccccc2)o1 ZINC000826542346 602260092 /nfs/dbraw/zinc/26/00/92/602260092.db2.gz ROFCJKLDWWUQBI-UHFFFAOYSA-N -1 1 274.320 2.685 20 0 CFADMM CN(Cc1ccc(Cl)s1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828356387 603495375 /nfs/dbraw/zinc/49/53/75/603495375.db2.gz ZZNHJFXCMQHCJO-QMMMGPOBSA-N -1 1 274.773 2.586 20 0 CFADMM CC(C)(CNCc1c(F)cccc1Cl)NC(=O)[O-] ZINC000824005652 603575978 /nfs/dbraw/zinc/57/59/78/603575978.db2.gz BGTQDNRFVVJSCI-UHFFFAOYSA-N -1 1 274.723 2.615 20 0 CFADMM C[C@@H]1CCCC[C@H]1CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900371620 620666178 /nfs/dbraw/zinc/66/61/78/620666178.db2.gz FOXVGMMSNPCERZ-PWSUYJOCSA-N -1 1 289.379 2.616 20 0 CFADMM CN(Cc1cccc(F)c1F)C1CCN(C(=O)[O-])CC1 ZINC000828365911 603991921 /nfs/dbraw/zinc/99/19/21/603991921.db2.gz LULRWCQEUBECNH-UHFFFAOYSA-N -1 1 284.306 2.539 20 0 CFADMM CSc1ccc(CN2CCC[C@H]2CNC(=O)[O-])cc1 ZINC000829760692 604079579 /nfs/dbraw/zinc/07/95/79/604079579.db2.gz PDOLXGYWDRQYQJ-LBPRGKRZSA-N -1 1 280.393 2.641 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000825262684 604182004 /nfs/dbraw/zinc/18/20/04/604182004.db2.gz CDVXOFDSKUDLBE-MNOVXSKESA-N -1 1 298.333 2.833 20 0 CFADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000825262961 604204215 /nfs/dbraw/zinc/20/42/15/604204215.db2.gz DPDMSSGGEDYBCY-WDEREUQCSA-N -1 1 298.333 2.833 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccncc2Cl)C1 ZINC000825273669 604210580 /nfs/dbraw/zinc/21/05/80/604210580.db2.gz QDURFIDZTPVLSA-MNOVXSKESA-N -1 1 297.786 2.603 20 0 CFADMM C[C@@H]1CC[C@@H](C)N(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824908571 608187010 /nfs/dbraw/zinc/18/70/10/608187010.db2.gz PPRPKCRDRAQKJU-RNFRBKRXSA-N -1 1 298.803 2.601 20 0 CFADMM C[C@@H]1CC[C@@H](C)N(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824908571 608187012 /nfs/dbraw/zinc/18/70/12/608187012.db2.gz PPRPKCRDRAQKJU-RNFRBKRXSA-N -1 1 298.803 2.601 20 0 CFADMM O=C([O-])NCCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000832641846 604358541 /nfs/dbraw/zinc/35/85/41/604358541.db2.gz MGTRFUWLQOBCTB-GFCCVEGCSA-N -1 1 268.744 2.745 20 0 CFADMM C[C@@H](N[C@H](CNC(=O)[O-])C1CC1)c1c(F)cccc1F ZINC000825473359 604360889 /nfs/dbraw/zinc/36/08/89/604360889.db2.gz PVUDQRYNDNRTNA-PRHODGIISA-N -1 1 284.306 2.662 20 0 CFADMM C[C@@H](NC[C@H](NC(=O)[O-])c1ccccc1)c1ccco1 ZINC000825486070 604379596 /nfs/dbraw/zinc/37/95/96/604379596.db2.gz UNBCQYFJIVYADJ-YPMHNXCESA-N -1 1 274.320 2.939 20 0 CFADMM O=C([O-])CCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000833237219 604453514 /nfs/dbraw/zinc/45/35/14/604453514.db2.gz ZTJZSMZGKCCIPW-CYBMUJFWSA-N -1 1 269.291 2.967 20 0 CFADMM C[C@H](c1ccccn1)N(C)Cc1ccccc1CC(=O)[O-] ZINC000833549807 604564448 /nfs/dbraw/zinc/56/44/48/604564448.db2.gz OYRSVLCQJSJBMY-CYBMUJFWSA-N -1 1 284.359 2.902 20 0 CFADMM C[C@@H]1C[C@@H]1c1ccc(CN(C)C(C)(C)C(=O)[O-])o1 ZINC000086762267 604626632 /nfs/dbraw/zinc/62/66/32/604626632.db2.gz AZDQSORCBDYFJW-KOLCDFICSA-N -1 1 251.326 2.698 20 0 CFADMM C/C(=C\c1ccccc1)CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000833386050 604682019 /nfs/dbraw/zinc/68/20/19/604682019.db2.gz MGMPTTVDUNFPMN-RZXPCSSPSA-N -1 1 263.312 2.589 20 0 CFADMM CC1(C)CN(Cc2ccc(C(=O)[O-])cc2F)CCS1 ZINC000833561387 604761130 /nfs/dbraw/zinc/76/11/30/604761130.db2.gz IJVYMKMHPRNPSB-UHFFFAOYSA-N -1 1 283.368 2.851 20 0 CFADMM C[C@H](NC[C@H]1CCCCN1C(=O)[O-])c1cccnc1Cl ZINC000825486132 604797133 /nfs/dbraw/zinc/79/71/33/604797133.db2.gz VEWZOONSKAHGQF-WDEREUQCSA-N -1 1 297.786 2.918 20 0 CFADMM CC1=C(C(=O)[O-])C[C@@H](CN(C)Cc2ccccc2Cl)O1 ZINC000833582879 604822528 /nfs/dbraw/zinc/82/25/28/604822528.db2.gz IEGZMBNPTKMXFV-LBPRGKRZSA-N -1 1 295.766 2.919 20 0 CFADMM CCCCCSc1nc([O-])cc(=O)n1CCCC ZINC000901750808 620908268 /nfs/dbraw/zinc/90/82/68/620908268.db2.gz LOQFXTDNMRMERZ-UHFFFAOYSA-N -1 1 270.398 2.825 20 0 CFADMM C[C@H](c1cccc(O)c1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833549954 605107472 /nfs/dbraw/zinc/10/74/72/605107472.db2.gz SSHPJZXEENYDIM-SNVBAGLBSA-N -1 1 274.320 2.612 20 0 CFADMM C[C@@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833632041 605110714 /nfs/dbraw/zinc/11/07/14/605110714.db2.gz IUBHZIWXRXRIDE-LLVKDONJSA-N -1 1 270.332 2.660 20 0 CFADMM C[C@@H]1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000900483566 620681161 /nfs/dbraw/zinc/68/11/61/620681161.db2.gz FUJJUNXYYKHIHH-SECBINFHSA-N -1 1 274.295 2.562 20 0 CFADMM CCC[C@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)N(C)C ZINC000833648623 605145683 /nfs/dbraw/zinc/14/56/83/605145683.db2.gz VMLXRSSHIUWJBX-GFCCVEGCSA-N -1 1 298.770 2.707 20 0 CFADMM O=C([O-])N[C@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC000832364557 605275404 /nfs/dbraw/zinc/27/54/04/605275404.db2.gz AYYSGICFTPBWJG-LBPRGKRZSA-N -1 1 274.320 2.665 20 0 CFADMM CC1=C(C(=O)[O-])C[C@H](CN2Cc3ccccc3[C@@H]2C)O1 ZINC000833580101 605346381 /nfs/dbraw/zinc/34/63/81/605346381.db2.gz PJCVDCUGSCTAMJ-GXFFZTMASA-N -1 1 273.332 2.711 20 0 CFADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C/C(Cl)=C/Cl)C[C@H]21 ZINC000834189556 605433929 /nfs/dbraw/zinc/43/39/29/605433929.db2.gz UWOJVOBYMVLDGD-HYPCRLAGSA-N -1 1 293.194 2.674 20 0 CFADMM CCCN(Cc1csc(C)n1)C1CCN(C(=O)[O-])CC1 ZINC000826917018 605468755 /nfs/dbraw/zinc/46/87/55/605468755.db2.gz VWYDODNZVCXWGU-UHFFFAOYSA-N -1 1 297.424 2.806 20 0 CFADMM CCCC[C@@H](CNC(=O)[O-])N[C@H](C)c1csc(C)n1 ZINC000826806719 605479441 /nfs/dbraw/zinc/47/94/41/605479441.db2.gz PVIPZEWQFFYGJK-KOLCDFICSA-N -1 1 285.413 2.929 20 0 CFADMM O=C([O-])N[C@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000834180611 605491697 /nfs/dbraw/zinc/49/16/97/605491697.db2.gz FNMISNDKRDRTKB-YOUVMVQBSA-N -1 1 278.327 2.571 20 0 CFADMM Cc1cc(CN[C@@H](C)C[C@H]2CCCCCN2C(=O)[O-])no1 ZINC000830041355 605495436 /nfs/dbraw/zinc/49/54/36/605495436.db2.gz KQJYMRJFENNVAR-SMDDNHRTSA-N -1 1 295.383 2.774 20 0 CFADMM O=C([O-])N1CCCC[C@H]1C(=O)Nc1cccc(Cl)c1O ZINC000834052752 605540154 /nfs/dbraw/zinc/54/01/54/605540154.db2.gz GKSOAFJZZPFLAD-JTQLQIEISA-N -1 1 298.726 2.517 20 0 CFADMM O=C([O-])N[C@@H]1CCN(C/C=C\c2ccc(Cl)cc2)C1 ZINC000834188679 605567508 /nfs/dbraw/zinc/56/75/08/605567508.db2.gz ABTSRKOIXGLWIO-UIIMQBOASA-N -1 1 280.755 2.695 20 0 CFADMM O=C([O-])NC[C@H]1CCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000834225986 605577611 /nfs/dbraw/zinc/57/76/11/605577611.db2.gz SAVJRAQRLBHFIE-SNVBAGLBSA-N -1 1 286.734 2.569 20 0 CFADMM CCc1ncc(CN2CCC[C@H](C)[C@@H]2CNC(=O)[O-])s1 ZINC000833865653 605606068 /nfs/dbraw/zinc/60/60/68/605606068.db2.gz BBXGHXIOPJICDQ-JQWIXIFHSA-N -1 1 297.424 2.574 20 0 CFADMM CN(Cc1ccc(Cl)o1)CC(C)(C)CNC(=O)[O-] ZINC000833874617 605622324 /nfs/dbraw/zinc/62/23/24/605622324.db2.gz TWOPBMXAWALFBZ-UHFFFAOYSA-N -1 1 274.748 2.659 20 0 CFADMM Cc1ncsc1CN(C)CC[C@H](NC(=O)[O-])C(C)C ZINC000833916675 605671425 /nfs/dbraw/zinc/67/14/25/605671425.db2.gz CKVUXIWYHKFINP-NSHDSACASA-N -1 1 285.413 2.566 20 0 CFADMM O=C([O-])N[C@@H]1C[C@H](NCc2ccco2)c2ccccc21 ZINC000834158376 605787661 /nfs/dbraw/zinc/78/76/61/605787661.db2.gz NHSXUSOKMFKUOP-UONOGXRCSA-N -1 1 272.304 2.823 20 0 CFADMM O=C([O-])N[C@H](CNCc1c(F)cccc1Cl)C1CC1 ZINC000834149440 605826139 /nfs/dbraw/zinc/82/61/39/605826139.db2.gz GHSMVYYBDNNEKN-GFCCVEGCSA-N -1 1 286.734 2.615 20 0 CFADMM O=C([O-])N[C@H]1CCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000834182896 605872948 /nfs/dbraw/zinc/87/29/48/605872948.db2.gz LEIXVYWAAGBRDX-TVQRCGJNSA-N -1 1 280.755 2.669 20 0 CFADMM c1cc(-c2nnn[n-]2)oc1CNc1cccc2c1CCCC2 ZINC000823766678 606133459 /nfs/dbraw/zinc/13/34/59/606133459.db2.gz HMUNWLMGXVCEBU-UHFFFAOYSA-N -1 1 295.346 2.951 20 0 CFADMM c1cc(-c2nn[n-]n2)oc1CNc1cccc2c1CCCC2 ZINC000823766678 606133461 /nfs/dbraw/zinc/13/34/61/606133461.db2.gz HMUNWLMGXVCEBU-UHFFFAOYSA-N -1 1 295.346 2.951 20 0 CFADMM c1ccc([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000823779707 606447717 /nfs/dbraw/zinc/44/77/17/606447717.db2.gz HGERRTBZBOHRAP-CQSZACIVSA-N -1 1 292.346 2.603 20 0 CFADMM c1ccc([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000823779707 606447719 /nfs/dbraw/zinc/44/77/19/606447719.db2.gz HGERRTBZBOHRAP-CQSZACIVSA-N -1 1 292.346 2.603 20 0 CFADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C1CCCC1 ZINC000820456518 606465642 /nfs/dbraw/zinc/46/56/42/606465642.db2.gz UWFGCYRIDILANG-QMMMGPOBSA-N -1 1 292.774 2.906 20 0 CFADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C1CCCC1 ZINC000820456518 606465643 /nfs/dbraw/zinc/46/56/43/606465643.db2.gz UWFGCYRIDILANG-QMMMGPOBSA-N -1 1 292.774 2.906 20 0 CFADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC000820778975 606470784 /nfs/dbraw/zinc/47/07/84/606470784.db2.gz ZNOCRWKYMFMHHE-QMMMGPOBSA-N -1 1 292.774 2.540 20 0 CFADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC000820778975 606470786 /nfs/dbraw/zinc/47/07/86/606470786.db2.gz ZNOCRWKYMFMHHE-QMMMGPOBSA-N -1 1 292.774 2.540 20 0 CFADMM C[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820696558 606488579 /nfs/dbraw/zinc/48/85/79/606488579.db2.gz AUEGSRAIRKIDRT-BDAKNGLRSA-N -1 1 292.364 2.664 20 0 CFADMM C[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820696558 606488580 /nfs/dbraw/zinc/48/85/80/606488580.db2.gz AUEGSRAIRKIDRT-BDAKNGLRSA-N -1 1 292.364 2.664 20 0 CFADMM CCc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821492692 606488895 /nfs/dbraw/zinc/48/88/95/606488895.db2.gz SXPYIQYWMTZUQZ-UHFFFAOYSA-N -1 1 299.359 2.743 20 0 CFADMM CCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821492692 606488897 /nfs/dbraw/zinc/48/88/97/606488897.db2.gz SXPYIQYWMTZUQZ-UHFFFAOYSA-N -1 1 299.359 2.743 20 0 CFADMM CCCCCC(C)(C)CNc1nccnc1-c1nnn[n-]1 ZINC000821042736 606724507 /nfs/dbraw/zinc/72/45/07/606724507.db2.gz GZUIPWPIPYZUID-UHFFFAOYSA-N -1 1 289.387 2.675 20 0 CFADMM CCCCCC(C)(C)CNc1nccnc1-c1nn[n-]n1 ZINC000821042736 606724508 /nfs/dbraw/zinc/72/45/08/606724508.db2.gz GZUIPWPIPYZUID-UHFFFAOYSA-N -1 1 289.387 2.675 20 0 CFADMM Cc1cc(C)cc(CSc2nccnc2-c2nn[n-]n2)c1 ZINC000822196561 606732012 /nfs/dbraw/zinc/73/20/12/606732012.db2.gz NMULJLYBLJIXPZ-UHFFFAOYSA-N -1 1 298.375 2.566 20 0 CFADMM CC(C)C[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000820068491 607043863 /nfs/dbraw/zinc/04/38/63/607043863.db2.gz QWEZHVMMLCTVQX-GFCCVEGCSA-N -1 1 286.383 2.524 20 0 CFADMM CC(C)C[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000820068491 607043864 /nfs/dbraw/zinc/04/38/64/607043864.db2.gz QWEZHVMMLCTVQX-GFCCVEGCSA-N -1 1 286.383 2.524 20 0 CFADMM CC(C)CC[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000820072729 607128526 /nfs/dbraw/zinc/12/85/26/607128526.db2.gz LVMVLANERCTECF-LBPRGKRZSA-N -1 1 286.383 2.667 20 0 CFADMM CC(C)CC[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000820072729 607128527 /nfs/dbraw/zinc/12/85/27/607128527.db2.gz LVMVLANERCTECF-LBPRGKRZSA-N -1 1 286.383 2.667 20 0 CFADMM Clc1cccc(Oc2cccc(-c3nnn[n-]3)n2)c1 ZINC000095144215 607894367 /nfs/dbraw/zinc/89/43/67/607894367.db2.gz HZQDXPJMBUBQSK-UHFFFAOYSA-N -1 1 273.683 2.707 20 0 CFADMM Clc1cccc(Oc2cccc(-c3nn[n-]n3)n2)c1 ZINC000095144215 607894368 /nfs/dbraw/zinc/89/43/68/607894368.db2.gz HZQDXPJMBUBQSK-UHFFFAOYSA-N -1 1 273.683 2.707 20 0 CFADMM c1cc(SCC2CCCCC2)nc(-c2nnn[n-]2)c1 ZINC000826517518 607898806 /nfs/dbraw/zinc/89/88/06/607898806.db2.gz GIFLXJBLTNOQRG-UHFFFAOYSA-N -1 1 275.381 2.934 20 0 CFADMM c1cc(SCC2CCCCC2)nc(-c2nn[n-]n2)c1 ZINC000826517518 607898807 /nfs/dbraw/zinc/89/88/07/607898807.db2.gz GIFLXJBLTNOQRG-UHFFFAOYSA-N -1 1 275.381 2.934 20 0 CFADMM CCC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccn1 ZINC000825242309 607899176 /nfs/dbraw/zinc/89/91/76/607899176.db2.gz NZSKYMLFUNFBAP-LBPRGKRZSA-N -1 1 295.350 2.610 20 0 CFADMM CCC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccn1 ZINC000825242309 607899177 /nfs/dbraw/zinc/89/91/77/607899177.db2.gz NZSKYMLFUNFBAP-LBPRGKRZSA-N -1 1 295.350 2.610 20 0 CFADMM Clc1cccc2c1CCN2c1cccc(-c2nnn[n-]2)n1 ZINC000826353388 607901693 /nfs/dbraw/zinc/90/16/93/607901693.db2.gz NFCBJTCUUKXRSD-UHFFFAOYSA-N -1 1 298.737 2.609 20 0 CFADMM Clc1cccc2c1CCN2c1cccc(-c2nn[n-]n2)n1 ZINC000826353388 607901694 /nfs/dbraw/zinc/90/16/94/607901694.db2.gz NFCBJTCUUKXRSD-UHFFFAOYSA-N -1 1 298.737 2.609 20 0 CFADMM CCCCN(c1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC000825285313 608190573 /nfs/dbraw/zinc/19/05/73/608190573.db2.gz PVHVDEJBHRILJJ-UHFFFAOYSA-N -1 1 298.803 2.746 20 0 CFADMM CCCCN(c1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC000825285313 608190575 /nfs/dbraw/zinc/19/05/75/608190575.db2.gz PVHVDEJBHRILJJ-UHFFFAOYSA-N -1 1 298.803 2.746 20 0 CFADMM CC(C)c1ccc(Sc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824347405 608394979 /nfs/dbraw/zinc/39/49/79/608394979.db2.gz ADFWHCXQKLKDCG-UHFFFAOYSA-N -1 1 298.375 2.931 20 0 CFADMM CC(C)c1ccc(Sc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824347405 608394981 /nfs/dbraw/zinc/39/49/81/608394981.db2.gz ADFWHCXQKLKDCG-UHFFFAOYSA-N -1 1 298.375 2.931 20 0 CFADMM CCCC[C@H](CCC)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825261369 608430329 /nfs/dbraw/zinc/43/03/29/608430329.db2.gz XXVLCDFXIVECBS-NSHDSACASA-N -1 1 289.387 2.675 20 0 CFADMM CCCC[C@H](CCC)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825261369 608430331 /nfs/dbraw/zinc/43/03/31/608430331.db2.gz XXVLCDFXIVECBS-NSHDSACASA-N -1 1 289.387 2.675 20 0 CFADMM CC[C@H](Sc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000825158792 608431417 /nfs/dbraw/zinc/43/14/17/608431417.db2.gz AGRYXMOLWPPCCK-LBPRGKRZSA-N -1 1 298.375 2.900 20 0 CFADMM CC[C@H](Sc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000825158792 608431419 /nfs/dbraw/zinc/43/14/19/608431419.db2.gz AGRYXMOLWPPCCK-LBPRGKRZSA-N -1 1 298.375 2.900 20 0 CFADMM C[C@H]1CN(C(=O)c2c([O-])cnc3c(F)cccc32)C[C@H]1C ZINC000900894500 620726626 /nfs/dbraw/zinc/72/66/26/620726626.db2.gz IOYUNHPXMIMLBU-AOOOYVTPSA-N -1 1 288.322 2.808 20 0 CFADMM Cc1nc2c(s1)[C@H]([N-]C(=O)C(F)(F)C(F)F)CCC2 ZINC000780123584 617964698 /nfs/dbraw/zinc/96/46/98/617964698.db2.gz UZRYUHPJSCDKAJ-SSDOTTSWSA-N -1 1 296.289 2.846 20 0 CFADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858522321 617624268 /nfs/dbraw/zinc/62/42/68/617624268.db2.gz YNXIRMLBHVCGKT-RITPCOANSA-N -1 1 281.665 2.613 20 0 CFADMM Cc1cc(C[C@@H](C)Nc2ncc(C(=O)[O-])cc2Cl)[nH]n1 ZINC000900988871 620739644 /nfs/dbraw/zinc/73/96/44/620739644.db2.gz PMSFGKKLQHLPNF-SSDOTTSWSA-N -1 1 294.742 2.508 20 0 CFADMM Cc1cc(C)c(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)o1 ZINC000891622044 617689409 /nfs/dbraw/zinc/68/94/09/617689409.db2.gz MLACVDRTIABPPS-UHFFFAOYSA-N -1 1 287.319 2.523 20 0 CFADMM COCc1nc(N[C@H](C)c2ccccc2C)cc(=O)[n-]1 ZINC000891645062 617695454 /nfs/dbraw/zinc/69/54/54/617695454.db2.gz GVNPFTVKEGTRSI-LLVKDONJSA-N -1 1 273.336 2.810 20 0 CFADMM CCC[C@H]1CCCN(C(=O)c2nnc3ccccc3c2O)C1 ZINC000134704884 617752883 /nfs/dbraw/zinc/75/28/83/617752883.db2.gz FRYDAYVMECBOKQ-LBPRGKRZSA-N -1 1 299.374 2.575 20 0 CFADMM Cc1c2cccc(F)c2oc1C(=O)[N-]NC(=O)C(C)(C)C ZINC000077219463 617771473 /nfs/dbraw/zinc/77/14/73/617771473.db2.gz HXDCDQPHIUTXTM-UHFFFAOYSA-N -1 1 292.310 2.687 20 0 CFADMM C[C@H](O)c1cc(NC(=O)c2ccc(O)cc2[O-])ccc1F ZINC000804791068 617883803 /nfs/dbraw/zinc/88/38/03/617883803.db2.gz GIWIWHGMWHWSRA-QMMMGPOBSA-N -1 1 291.278 2.543 20 0 CFADMM CC(C)(C)c1ccc(NC(=O)c2cncc([O-])c2)cn1 ZINC000890794235 617901803 /nfs/dbraw/zinc/90/18/03/617901803.db2.gz DBICONWMBXNZDB-UHFFFAOYSA-N -1 1 271.320 2.732 20 0 CFADMM O=C([N-][C@@H](c1ccncc1)C1CC1)C(F)(F)C(F)F ZINC000890912668 617944273 /nfs/dbraw/zinc/94/42/73/617944273.db2.gz HTWZJOTYFFONKL-SECBINFHSA-N -1 1 276.233 2.549 20 0 CFADMM Oc1cc(Br)cnc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000892144311 617970914 /nfs/dbraw/zinc/97/09/14/617970914.db2.gz MUSMLRBOONGYEG-JTQLQIEISA-N -1 1 297.196 2.782 20 0 CFADMM C[C@H]([N-]C(=O)C(F)(F)Cc1ccccc1)C(F)(F)F ZINC000807895542 617979132 /nfs/dbraw/zinc/97/91/32/617979132.db2.gz IFSYHCXVCVBIFL-QMMMGPOBSA-N -1 1 281.224 2.931 20 0 CFADMM Cc1[n-]n(-c2ccc(Br)cn2)c(=O)c1C(C)C ZINC000115007403 618071587 /nfs/dbraw/zinc/07/15/87/618071587.db2.gz DCCBNAISWKSFMC-NSHDSACASA-N -1 1 296.168 2.839 20 0 CFADMM CCN(CC)C(=O)[C@H](C)O[N-]C(=O)CCC1CCCCC1 ZINC000083536865 618092453 /nfs/dbraw/zinc/09/24/53/618092453.db2.gz MPWQXAOZPGKPFX-ZDUSSCGKSA-N -1 1 298.427 2.652 20 0 CFADMM O=C([O-])c1cccc(CNc2ccc3c(n2)CCC3)c1 ZINC000263413431 618223846 /nfs/dbraw/zinc/22/38/46/618223846.db2.gz MEMDAOTYDYUROO-UHFFFAOYSA-N -1 1 268.316 2.881 20 0 CFADMM C=C(Br)CNC(=O)c1c([O-])cccc1Cl ZINC000049296734 618289031 /nfs/dbraw/zinc/28/90/31/618289031.db2.gz ODVRCVAQXAZJQX-UHFFFAOYSA-N -1 1 290.544 2.684 20 0 CFADMM Cc1noc(C)c1[C@@H](C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188340365 618301046 /nfs/dbraw/zinc/30/10/46/618301046.db2.gz POVUVHKAUXBBHX-ZCFIWIBFSA-N -1 1 295.726 2.788 20 0 CFADMM CN(C)[C@@H](C(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC000066043269 618433960 /nfs/dbraw/zinc/43/39/60/618433960.db2.gz MVTTYOKGFVNSBX-MRXNPFEDSA-N -1 1 284.359 2.537 20 0 CFADMM COC(=O)c1c[n-]c(SCCc2cccs2)n1 ZINC000187595840 618464253 /nfs/dbraw/zinc/46/42/53/618464253.db2.gz KNYLAXSKSZTURJ-UHFFFAOYSA-N -1 1 268.363 2.593 20 0 CFADMM COCc1nc(N2CC[C@@H](C)[C@H]2c2ccccc2)cc(=O)[n-]1 ZINC000895207196 618472055 /nfs/dbraw/zinc/47/20/55/618472055.db2.gz BJPYKPLQGFFTAN-PXAZEXFGSA-N -1 1 299.374 2.916 20 0 CFADMM CCOc1cc(F)cc(CN2CCC(CC(=O)[O-])CC2)c1 ZINC000901419282 620812558 /nfs/dbraw/zinc/81/25/58/620812558.db2.gz YGNLUIOHSXKVMI-UHFFFAOYSA-N -1 1 295.354 2.911 20 0 CFADMM CC(C)(C)c1n[nH]cc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000909516189 618537515 /nfs/dbraw/zinc/53/75/15/618537515.db2.gz RJPSWCPXKIQVJS-UHFFFAOYSA-N -1 1 293.348 2.719 20 0 CFADMM CC[C@H]1c2ccccc2CCN1Cc1cc(C(=O)[O-])no1 ZINC000901431472 620818780 /nfs/dbraw/zinc/81/87/80/620818780.db2.gz NZNNKKKUXNUBBV-HNNXBMFYSA-N -1 1 286.331 2.882 20 0 CFADMM Cc1ccsc1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066639848 618633758 /nfs/dbraw/zinc/63/37/58/618633758.db2.gz YCKMYBOXEBIUIR-UHFFFAOYSA-N -1 1 296.421 2.822 20 0 CFADMM COCc1nc(N[C@H](C)CCc2ccc(C)o2)cc(=O)[n-]1 ZINC000892694903 618714988 /nfs/dbraw/zinc/71/49/88/618714988.db2.gz NFOFTZSBSCZVIR-SNVBAGLBSA-N -1 1 291.351 2.663 20 0 CFADMM COc1ccc([C@@H](C)NCc2cc(C(=O)[O-])co2)cc1 ZINC000228175449 618861574 /nfs/dbraw/zinc/86/15/74/618861574.db2.gz AEVAMNKIVHAQJW-SNVBAGLBSA-N -1 1 275.304 2.837 20 0 CFADMM Cc1c(C(=O)Nc2nc(Cl)ccc2[O-])cnn1C(C)C ZINC000194583749 618937856 /nfs/dbraw/zinc/93/78/56/618937856.db2.gz VPNIHKJOCKCPHL-UHFFFAOYSA-N -1 1 294.742 2.779 20 0 CFADMM CCC(=O)[C@@H]1CCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000909336492 618953056 /nfs/dbraw/zinc/95/30/56/618953056.db2.gz JCROREWSLFZWFJ-LBPRGKRZSA-N -1 1 295.766 2.558 20 0 CFADMM Cc1cc(F)ccc1-c1ccc(CN[C@@H](C)C(=O)[O-])o1 ZINC000261938523 619330158 /nfs/dbraw/zinc/33/01/58/619330158.db2.gz DLNFQIQYWDQQGM-JTQLQIEISA-N -1 1 277.295 2.957 20 0 CFADMM COCc1nc(NCc2csc(C)c2C)cc(=O)[n-]1 ZINC000894909177 619511290 /nfs/dbraw/zinc/51/12/90/619511290.db2.gz BEHRRECCYHLEFH-UHFFFAOYSA-N -1 1 279.365 2.619 20 0 CFADMM Cc1nc(CNC(=O)c2c([O-])cccc2Cl)cs1 ZINC000049090754 619521032 /nfs/dbraw/zinc/52/10/32/619521032.db2.gz FQKYNYZPMFZBFV-UHFFFAOYSA-N -1 1 282.752 2.741 20 0 CFADMM O=c1nc(NC[C@H]2CCCC3(CCC3)O2)cc(Cl)[n-]1 ZINC000896170244 619685664 /nfs/dbraw/zinc/68/56/64/619685664.db2.gz NSSWGSZOSLLAQL-SECBINFHSA-N -1 1 283.759 2.739 20 0 CFADMM C[C@@H]1CCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896759205 619807937 /nfs/dbraw/zinc/80/79/37/619807937.db2.gz YVXNTLGLAHAIBQ-SNVBAGLBSA-N -1 1 271.316 2.876 20 0 CFADMM O=c1nc(NC2C[C@H]3CC[C@@H](C2)S3)cc(Cl)[n-]1 ZINC000896997463 619912113 /nfs/dbraw/zinc/91/21/13/619912113.db2.gz VUGCTSAHTQAWMJ-IEESLHIDSA-N -1 1 271.773 2.674 20 0 CFADMM CC(F)(F)c1c(F)cccc1[N-]S(=O)(=O)C1CC1 ZINC000872406884 620101928 /nfs/dbraw/zinc/10/19/28/620101928.db2.gz YCSVZXRSRRDRHY-UHFFFAOYSA-N -1 1 279.283 2.842 20 0 CFADMM 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297.782 2.981 20 0 CFADMM O=C(NC[C@H]1CCC2(CCC2)CO1)c1c([O-])cccc1F ZINC000899467818 620573287 /nfs/dbraw/zinc/57/32/87/620573287.db2.gz WRNIVSZRKXRCMD-LLVKDONJSA-N -1 1 293.338 2.610 20 0 CFADMM CC1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC000899933627 620615344 /nfs/dbraw/zinc/61/53/44/620615344.db2.gz SMMYLMIKMFEIHV-UHFFFAOYSA-N -1 1 288.322 2.952 20 0 CFADMM CCn1cc(CN[C@H](CC(=O)[O-])c2ccsc2)c(C)n1 ZINC000900023437 620624460 /nfs/dbraw/zinc/62/44/60/620624460.db2.gz YTSXRMXLCWZEJK-CYBMUJFWSA-N -1 1 293.392 2.579 20 0 CFADMM O=C([O-])C1(CN[C@@H](CCc2ccccc2)C(F)F)CC1 ZINC000901507035 620840076 /nfs/dbraw/zinc/84/00/76/620840076.db2.gz SPROJSSSINXOGM-LBPRGKRZSA-N -1 1 283.318 2.707 20 0 CFADMM Cc1nnsc1[C@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000901530606 620847257 /nfs/dbraw/zinc/84/72/57/620847257.db2.gz JIKPASSBZPFNRF-QMMMGPOBSA-N -1 1 282.394 2.812 20 0 CFADMM CC(C)c1cccc(CN2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000901514290 620853075 /nfs/dbraw/zinc/85/30/75/620853075.db2.gz 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620888097 /nfs/dbraw/zinc/88/80/97/620888097.db2.gz QZEXRASJIQZASJ-UHFFFAOYSA-N -1 1 271.316 2.845 20 0 CFADMM CCCCC[C@@H](NCc1cc2cnccc2o1)C(=O)[O-] ZINC000901727322 620901642 /nfs/dbraw/zinc/90/16/42/620901642.db2.gz RWTNSHMQWAZIIW-CYBMUJFWSA-N -1 1 276.336 2.951 20 0 CFADMM COc1cccc([N-]S(=O)(=O)C2=CCCCC2)c1OC ZINC000901709060 620903972 /nfs/dbraw/zinc/90/39/72/620903972.db2.gz HYXUKAKXHAWEOM-UHFFFAOYSA-N -1 1 297.376 2.903 20 0 CFADMM Cc1ccc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)o1 ZINC000901833134 620925187 /nfs/dbraw/zinc/92/51/87/620925187.db2.gz USLLJMBEUPUVRE-UHFFFAOYSA-N -1 1 289.331 2.683 20 0 CFADMM Cc1ccc([C@@H](NCc2ccncc2F)C(=O)[O-])cc1C ZINC000901849767 620930188 /nfs/dbraw/zinc/93/01/88/620930188.db2.gz KHGMZMDMQRRROO-OAHLLOKOSA-N -1 1 288.322 2.753 20 0 CFADMM CSc1ccc(C[N@@H+](CC(=O)[O-])C(C)C)s1 ZINC000901976610 620944400 /nfs/dbraw/zinc/94/44/00/620944400.db2.gz LYQLAECZVDOIGX-UHFFFAOYSA-N -1 1 259.396 2.765 20 0 CFADMM CSc1ccc(CN(CC(=O)[O-])C(C)C)s1 ZINC000901976610 620944402 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O=C([O-])[C@@H]1c2ccoc2CCN1CCOC1CCCCC1 ZINC000903608411 621402204 /nfs/dbraw/zinc/40/22/04/621402204.db2.gz ZZGYUECQPIXDJB-HNNXBMFYSA-N -1 1 293.363 2.613 20 0 CFADMM CCc1ccc(CN2CCc3cc(C(=O)[O-])ccc3C2)nc1 ZINC000903616068 621405412 /nfs/dbraw/zinc/40/54/12/621405412.db2.gz CNDRNAHNQIUIIB-UHFFFAOYSA-N -1 1 296.370 2.901 20 0 CFADMM CCCc1nc(CN(CC(C)C)CC(C)(C)C(=O)[O-])no1 ZINC000903621532 621406744 /nfs/dbraw/zinc/40/67/44/621406744.db2.gz ZAYKWDGUWFJYOJ-UHFFFAOYSA-N -1 1 297.399 2.591 20 0 CFADMM C[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)[C@@H]1CCCO1 ZINC000903669768 621413923 /nfs/dbraw/zinc/41/39/23/621413923.db2.gz JZSUICWPZZLMRC-PELKAZGASA-N -1 1 278.283 2.864 20 0 CFADMM CC1(C)CN(Cc2ccc(C(=O)[O-])s2)[C@H]1[C@H]1CCCO1 ZINC000903689569 621415861 /nfs/dbraw/zinc/41/58/61/621415861.db2.gz LBHMDRLWMJFOBQ-YPMHNXCESA-N -1 1 295.404 2.836 20 0 CFADMM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])s2)nc1 ZINC000903684525 621417951 /nfs/dbraw/zinc/41/79/51/621417951.db2.gz BYZXYWSEVFRIDH-UHFFFAOYSA-N -1 1 276.361 2.782 20 0 CFADMM Cc1cc(C)nc(C[N@H+](C)[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000903900877 621467820 /nfs/dbraw/zinc/46/78/20/621467820.db2.gz USHKWXAGBAODBW-QGZVFWFLSA-N -1 1 298.386 2.826 20 0 CFADMM Cc1cc(C)nc(CN(C)[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000903900877 621467824 /nfs/dbraw/zinc/46/78/24/621467824.db2.gz USHKWXAGBAODBW-QGZVFWFLSA-N -1 1 298.386 2.826 20 0 CFADMM C[C@@H]1CN(Cc2cncc(C(=O)[O-])c2)C[C@H](C)C1(F)F ZINC000903910504 621470969 /nfs/dbraw/zinc/47/09/69/621470969.db2.gz XFIANORNFMWTLT-AOOOYVTPSA-N -1 1 284.306 2.503 20 0 CFADMM O=C([O-])c1cnc([C@@H]2CCN(CCC(F)(F)F)C2)s1 ZINC000903926714 621475080 /nfs/dbraw/zinc/47/50/80/621475080.db2.gz FPERKPGAELZWKZ-SSDOTTSWSA-N -1 1 294.298 2.583 20 0 CFADMM O=C([O-])c1ccc(C[N@@H+]2CCCCC[C@@H]2CO)cc1Cl ZINC000903934055 621477197 /nfs/dbraw/zinc/47/71/97/621477197.db2.gz HUTOGFKRPARJBK-GFCCVEGCSA-N -1 1 297.782 2.775 20 0 CFADMM O=C([O-])c1ccc2c(c1)OCCN(CC1CC(F)(F)C1)C2 ZINC000903958710 621479934 /nfs/dbraw/zinc/47/99/34/621479934.db2.gz JVLGYNUGFDHWER-UHFFFAOYSA-N -1 1 297.301 2.625 20 0 CFADMM C[C@@H](C(=O)[O-])[C@@H](NCc1cn(C2CC2)cn1)c1ccccc1 ZINC000904005109 621505205 /nfs/dbraw/zinc/50/52/05/621505205.db2.gz OTUPGGSHPNAJBN-MLGOLLRUSA-N -1 1 299.374 2.770 20 0 CFADMM CCC[C@@H](C)C[C@@H](NCc1cc(C)co1)C(=O)[O-] ZINC000904005136 621505217 /nfs/dbraw/zinc/50/52/17/621505217.db2.gz PETNVUVMYUQXOF-ZWNOBZJWSA-N -1 1 253.342 2.957 20 0 CFADMM C[C@@H]1CCC[C@](NCc2cnc(C3CC3)o2)(C(=O)[O-])C1 ZINC000904007264 621505667 /nfs/dbraw/zinc/50/56/67/621505667.db2.gz CGIUJKRMYBXOOY-MEBBXXQBSA-N -1 1 278.352 2.675 20 0 CFADMM CC[C@@H](NCc1cc(C)cc(C)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904063578 621513999 /nfs/dbraw/zinc/51/39/99/621513999.db2.gz ADKVUOKQZHZAEK-CYBMUJFWSA-N -1 1 287.363 2.966 20 0 CFADMM CCc1ccc(CN[C@@H](CC)c2nc(C(=O)[O-])c[nH]2)cc1 ZINC000904063852 621514007 /nfs/dbraw/zinc/51/40/07/621514007.db2.gz DFRNBZBVHQEJDI-ZDUSSCGKSA-N -1 1 287.363 2.911 20 0 CFADMM COc1cnc(C=Cc2cccc3c2CCC3)[n-]c1=O ZINC000905077085 621699351 /nfs/dbraw/zinc/69/93/51/621699351.db2.gz QZKZVIFIYNCHSC-HJWRWDBZSA-N -1 1 268.316 2.850 20 0 CFADMM Cc1cccc2c1CC[C@H]2NCc1ccc(C(=O)[O-])cn1 ZINC000905724564 621834440 /nfs/dbraw/zinc/83/44/40/621834440.db2.gz MTARHJWKJAQKME-MRXNPFEDSA-N -1 1 282.343 2.865 20 0 CFADMM Cc1occc1CN1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000905738247 621840880 /nfs/dbraw/zinc/84/08/80/621840880.db2.gz CNGFOYSEINLLGK-UHFFFAOYSA-N -1 1 291.269 2.817 20 0 CFADMM C[C@@H]1C[C@@H](NCc2nc(C(C)(C)C)co2)CC[C@@H]1C(=O)[O-] ZINC000905789312 621862359 /nfs/dbraw/zinc/86/23/59/621862359.db2.gz IRHYEOQSGWVYAC-WOPDTQHZSA-N -1 1 294.395 2.951 20 0 CFADMM C[C@@H](NCc1cc(C(=O)[O-])cs1)c1cncs1 ZINC000905789439 621862579 /nfs/dbraw/zinc/86/25/79/621862579.db2.gz KITCJBZJGSPEPF-SSDOTTSWSA-N -1 1 268.363 2.754 20 0 CFADMM C[C@H](NCc1csc(C(=O)[O-])c1)c1cncs1 ZINC000905788349 621872293 /nfs/dbraw/zinc/87/22/93/621872293.db2.gz ARZYIOIVJZIVTM-ZETCQYMHSA-N -1 1 268.363 2.754 20 0 CFADMM COC1(CNC(=O)c2c([O-])cccc2Cl)CCCC1 ZINC000832957856 625542547 /nfs/dbraw/zinc/54/25/47/625542547.db2.gz SSPZLGCKBYGMEF-UHFFFAOYSA-N -1 1 283.755 2.735 20 0 CFADMM Cc1cc(C)c(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1O ZINC000907386383 622119460 /nfs/dbraw/zinc/11/94/60/622119460.db2.gz RBGPYHDTYUKTQU-UHFFFAOYSA-N -1 1 299.330 2.634 20 0 CFADMM C[C@H]1CCC[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC000907630815 622144205 /nfs/dbraw/zinc/14/42/05/622144205.db2.gz PDPUZPLIRANHHS-JQWIXIFHSA-N -1 1 289.379 2.758 20 0 CFADMM CCSc1ccccc1CC(=O)Nc1c(C)[n-][nH]c1=O ZINC000908372452 622222507 /nfs/dbraw/zinc/22/25/07/622222507.db2.gz UEAFJCOKEUWWIA-UHFFFAOYSA-N -1 1 291.376 2.717 20 0 CFADMM O=C(c1c([O-])cnc2c(F)cccc21)N1CC[C@@H]1C(F)F ZINC000908506337 622240131 /nfs/dbraw/zinc/24/01/31/622240131.db2.gz RQOUGJHCGSZUGN-SECBINFHSA-N -1 1 296.248 2.559 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)C1(C2CC2)CC1 ZINC000909973004 622378566 /nfs/dbraw/zinc/37/85/66/622378566.db2.gz SPVLHHUAHIUPMG-UHFFFAOYSA-N -1 1 253.248 2.799 20 0 CFADMM Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909975975 622379049 /nfs/dbraw/zinc/37/90/49/622379049.db2.gz HCPLWHORDPNPBF-ZCFIWIBFSA-N -1 1 295.289 2.753 20 0 CFADMM CC[C@@H]1C[C@@H](C(=O)Nc2cc([O-])c(F)cc2F)CCO1 ZINC000909985353 622379338 /nfs/dbraw/zinc/37/93/38/622379338.db2.gz JAUIYPGDNNZBKP-DTWKUNHWSA-N -1 1 285.290 2.814 20 0 CFADMM CC(C)Cn1cc(C(=O)Nc2cc([O-])c(F)cc2F)cn1 ZINC000909985205 622379423 /nfs/dbraw/zinc/37/94/23/622379423.db2.gz GFJZZWCUUIDWMO-UHFFFAOYSA-N -1 1 295.289 2.775 20 0 CFADMM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909984336 622379769 /nfs/dbraw/zinc/37/97/69/622379769.db2.gz MCFPHTWKXVZCOK-CBAPKCEASA-N -1 1 283.274 2.614 20 0 CFADMM CC[C@@H]1CC[C@H](C(=O)Nc2cc([O-])c(F)cc2F)O1 ZINC000909983166 622381399 /nfs/dbraw/zinc/38/13/99/622381399.db2.gz RGORWTFZBLYJPG-JMCQJSRRSA-N -1 1 271.263 2.567 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCCS1 ZINC000909983479 622381490 /nfs/dbraw/zinc/38/14/90/622381490.db2.gz XNDFUBLPLSVJNW-JTQLQIEISA-N -1 1 259.277 2.505 20 0 CFADMM O=C([O-])C[C@H]1CCCN(c2ccncc2C(F)(F)F)C1 ZINC000910317342 622429653 /nfs/dbraw/zinc/42/96/53/622429653.db2.gz XOWUXTPWULJUFX-SECBINFHSA-N -1 1 288.269 2.792 20 0 CFADMM C[C@@H]1CN(c2ccncc2C(F)(F)F)C[C@H]1CC(=O)[O-] ZINC000910491022 622451205 /nfs/dbraw/zinc/45/12/05/622451205.db2.gz PRTOOBKIHCDRGP-RKDXNWHRSA-N -1 1 288.269 2.647 20 0 CFADMM CCCCO[C@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910983988 622494771 /nfs/dbraw/zinc/49/47/71/622494771.db2.gz LQEMNVPDTSRPEZ-MRVPVSSYSA-N -1 1 273.279 2.814 20 0 CFADMM CSC(C)(C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910985822 622495095 /nfs/dbraw/zinc/49/50/95/622495095.db2.gz FZWJUTBQUQQFDM-UHFFFAOYSA-N -1 1 261.293 2.751 20 0 CFADMM CO[C@H](CC(=O)Nc1cc(F)cc(F)c1[O-])C(F)(F)F ZINC000910986391 622495273 /nfs/dbraw/zinc/49/52/73/622495273.db2.gz LQUHWHRYLCLKJT-MRVPVSSYSA-N -1 1 299.195 2.576 20 0 CFADMM CCC[C@H](OCC)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910994849 622496920 /nfs/dbraw/zinc/49/69/20/622496920.db2.gz VNZAJZUVHSZNEZ-NSHDSACASA-N -1 1 273.279 2.814 20 0 CFADMM CCc1cnccc1[C@H](C)NCc1ccc(C(=O)[O-])o1 ZINC000833673765 625572962 /nfs/dbraw/zinc/57/29/62/625572962.db2.gz MJIGTRYXZWEMDK-JTQLQIEISA-N -1 1 274.320 2.786 20 0 CFADMM Cc1ccccc1[C@H](C)C(=O)[N-]OCCOC(C)C ZINC000820014117 622597525 /nfs/dbraw/zinc/59/75/25/622597525.db2.gz NHZWOCCZNSXLNP-ZDUSSCGKSA-N -1 1 265.353 2.571 20 0 CFADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)C2CCC2)c1 ZINC000820190233 622623502 /nfs/dbraw/zinc/62/35/02/622623502.db2.gz UPVILTDDHNXPGW-YBTHPKLGSA-N -1 1 296.388 2.535 20 0 CFADMM CC[C@H](C)CO[N-]C(=O)[C@H](C)c1cccc(O)c1 ZINC000820280054 622641386 /nfs/dbraw/zinc/64/13/86/622641386.db2.gz XCYPSBDBRMFQFN-WDEREUQCSA-N -1 1 251.326 2.590 20 0 CFADMM C[C@H](N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1)C1(C)CC1 ZINC000820307819 622646253 /nfs/dbraw/zinc/64/62/53/622646253.db2.gz PAJBBOXTHKNZRT-QMMMGPOBSA-N -1 1 292.774 2.540 20 0 CFADMM C[C@H](N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1)C1(C)CC1 ZINC000820307819 622646254 /nfs/dbraw/zinc/64/62/54/622646254.db2.gz PAJBBOXTHKNZRT-QMMMGPOBSA-N -1 1 292.774 2.540 20 0 CFADMM CCCC[C@H](CC)C(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000912248269 622672402 /nfs/dbraw/zinc/67/24/02/622672402.db2.gz LNXNFKRINYEHJG-JTQLQIEISA-N -1 1 297.424 2.737 20 0 CFADMM COc1cccc(S([O-])=CC(=O)O[C@H]2CC[C@H](C)C2)c1 ZINC000820526525 622695497 /nfs/dbraw/zinc/69/54/97/622695497.db2.gz HQTSJIAIZULNNO-HGFQGUBDSA-N -1 1 296.388 2.535 20 0 CFADMM Cc1ncc(CSCCC(=O)c2ccc([O-])cc2O)o1 ZINC000912433479 622710400 /nfs/dbraw/zinc/71/04/00/622710400.db2.gz MMQMYMLAGMCFPV-UHFFFAOYSA-N -1 1 293.344 2.900 20 0 CFADMM O=C(c1c([O-])cnc2c(F)cccc21)N1CC[C@H]2C[C@H]2C1 ZINC000912678941 622757998 /nfs/dbraw/zinc/75/79/98/622757998.db2.gz RAUDLLKCYCALIE-UWVGGRQHSA-N -1 1 286.306 2.562 20 0 CFADMM CSC(C)(C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000834298572 625594501 /nfs/dbraw/zinc/59/45/01/625594501.db2.gz RXBHSZQWEKPDHS-UHFFFAOYSA-N -1 1 260.746 2.521 20 0 CFADMM COc1cnc(C=Cc2cc(F)ccc2F)[n-]c1=O ZINC000821008538 622818268 /nfs/dbraw/zinc/81/82/68/622818268.db2.gz QPGJFQFLJTWMDL-GORDUTHDSA-N -1 1 264.231 2.639 20 0 CFADMM CCOc1ccccc1C=Cc1ncc(OC)c(=O)[n-]1 ZINC000821008675 622820273 /nfs/dbraw/zinc/82/02/73/622820273.db2.gz SORJRRKPKURIDO-HJWRWDBZSA-N -1 1 272.304 2.760 20 0 CFADMM C[C@@H]1c2c[nH]nc2CC[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000913159890 622839896 /nfs/dbraw/zinc/83/98/96/622839896.db2.gz YTWSXOSPOOYZJG-DTWKUNHWSA-N -1 1 289.310 2.559 20 0 CFADMM O=C(Nc1nc(Br)ccc1[O-])c1cccs1 ZINC000156352609 622936249 /nfs/dbraw/zinc/93/62/49/622936249.db2.gz PEHIOTRLFJYMRB-UHFFFAOYSA-N -1 1 299.149 2.864 20 0 CFADMM Cn1nc(C2CC2)cc1C(=O)Nc1ccc([O-])c(F)c1F ZINC000821980128 623014696 /nfs/dbraw/zinc/01/46/96/623014696.db2.gz HVRHYOPQCONWAQ-UHFFFAOYSA-N -1 1 293.273 2.534 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)[C@]12C[C@H]1CCC2 ZINC000822542891 623123362 /nfs/dbraw/zinc/12/33/62/623123362.db2.gz KKCVYTDVBBZVGS-FUXBKTLASA-N -1 1 253.248 2.799 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)[C@]12CCO[C@@H]1CCCC2 ZINC000822542418 623123780 /nfs/dbraw/zinc/12/37/80/623123780.db2.gz AJYNKPMHKKWUCB-UKRRQHHQSA-N -1 1 297.301 2.958 20 0 CFADMM O=C([O-])C[C@H](NCc1ccco1)c1cccs1 ZINC000037087932 623197197 /nfs/dbraw/zinc/19/71/97/623197197.db2.gz WGIPNVBRHSQTHQ-JTQLQIEISA-N -1 1 251.307 2.647 20 0 CFADMM CC(C)(/C=C\Cl)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000921505843 625787391 /nfs/dbraw/zinc/78/73/91/625787391.db2.gz UXMMJWSYHYPMRV-SREVYHEPSA-N -1 1 295.738 2.774 20 0 CFADMM Cc1sccc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000913666675 623550643 /nfs/dbraw/zinc/55/06/43/623550643.db2.gz HCDSDIUKTHKSNT-UHFFFAOYSA-N -1 1 275.333 2.682 20 0 CFADMM CCCCC[C@@H](C)CC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913742911 623573990 /nfs/dbraw/zinc/57/39/90/623573990.db2.gz DNOCVMNRHLZDES-GFCCVEGCSA-N -1 1 293.415 2.512 20 0 CFADMM C=C/C=C\CCNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000914404976 623785648 /nfs/dbraw/zinc/78/56/48/623785648.db2.gz COAKZSFENSVGEU-FPLPWBNLSA-N -1 1 289.379 2.650 20 0 CFADMM O=C(c1c([O-])cnc2c(F)cccc21)N1CCC(F)CC1 ZINC000914428846 623791898 /nfs/dbraw/zinc/79/18/98/623791898.db2.gz BEIQYFUXFIRIDJ-UHFFFAOYSA-N -1 1 292.285 2.654 20 0 CFADMM Clc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC000826353031 623803071 /nfs/dbraw/zinc/80/30/71/623803071.db2.gz YIBKAWDQLJYQPK-UHFFFAOYSA-N -1 1 292.755 2.589 20 0 CFADMM O=C(Nc1cccc(F)c1[O-])[C@@]12CCO[C@@H]1CCCC2 ZINC000827448192 624006777 /nfs/dbraw/zinc/00/67/77/624006777.db2.gz QDUZEPXDTNLGRP-DOMZBBRYSA-N -1 1 279.311 2.819 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2cnc(CC)o2)n1 ZINC000915653377 624090449 /nfs/dbraw/zinc/09/04/49/624090449.db2.gz XEYFLLOUDWZBCE-UHFFFAOYSA-N -1 1 279.365 2.977 20 0 CFADMM CCCc1cc(=O)[n-]c(SCCCCCNC(C)=O)n1 ZINC000915653546 624090624 /nfs/dbraw/zinc/09/06/24/624090624.db2.gz ZKGYOOIEJXSFQM-UHFFFAOYSA-N -1 1 297.424 2.533 20 0 CFADMM CCCCOC(=O)[C@@H](C)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000195084526 625703486 /nfs/dbraw/zinc/70/34/86/625703486.db2.gz DNEAUDYUZKNQFW-SECBINFHSA-N -1 1 296.392 2.884 20 0 CFADMM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1F ZINC000917345835 624333723 /nfs/dbraw/zinc/33/37/23/624333723.db2.gz MRTFYNFYSOPBBB-VIFPVBQESA-N -1 1 271.089 2.510 20 0 CFADMM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1F ZINC000917345834 624333935 /nfs/dbraw/zinc/33/39/35/624333935.db2.gz MRTFYNFYSOPBBB-SECBINFHSA-N -1 1 271.089 2.510 20 0 CFADMM Cc1nc(SCCc2ccns2)[n-]c(=O)c1C ZINC000917419302 624340929 /nfs/dbraw/zinc/34/09/29/624340929.db2.gz PAIBPBDZEUSPEQ-UHFFFAOYSA-N -1 1 267.379 2.590 20 0 CFADMM C[C@@H]1CCC[C@@H](C2CN(C(=O)c3ncccc3[O-])C2)C1 ZINC000829117515 624376684 /nfs/dbraw/zinc/37/66/84/624376684.db2.gz DOIAKDFGLHYYTC-VXGBXAGGSA-N -1 1 274.364 2.686 20 0 CFADMM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000829634317 624486651 /nfs/dbraw/zinc/48/66/51/624486651.db2.gz FGOGIMXMHKNHEC-UHFFFAOYSA-N -1 1 293.820 2.556 20 0 CFADMM COc1ccc(C2CC2)c(NC(=O)c2cncc([O-])c2)c1 ZINC000829856123 624568228 /nfs/dbraw/zinc/56/82/28/624568228.db2.gz DRSWIDITLOZNFE-UHFFFAOYSA-N -1 1 284.315 2.926 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CC12CCSCC2 ZINC000830184571 624661259 /nfs/dbraw/zinc/66/12/59/624661259.db2.gz JYVVMFGMJHWLMU-QMMMGPOBSA-N -1 1 298.795 2.912 20 0 CFADMM Cc1cc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc(O)c1C ZINC000921388357 624868842 /nfs/dbraw/zinc/86/88/42/624868842.db2.gz GLDYPAXAWKYJEY-UHFFFAOYSA-N -1 1 299.330 2.634 20 0 CFADMM CC(C(=O)Nc1nc(Br)ccc1[O-])=C1CCC1 ZINC000830864023 624904937 /nfs/dbraw/zinc/90/49/37/624904937.db2.gz QOIDRZNUGAZBIT-UHFFFAOYSA-N -1 1 297.152 2.989 20 0 CFADMM CCC/C=C/C(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000068427124 624997141 /nfs/dbraw/zinc/99/71/41/624997141.db2.gz JYKHZYHFCPNEDG-AATRIKPKSA-N -1 1 294.424 2.540 20 0 CFADMM Cc1cnc(CSCCC[N-]C(=O)C(F)(F)F)s1 ZINC000180795043 625039879 /nfs/dbraw/zinc/03/98/79/625039879.db2.gz QSDZDOBCAFAAIP-UHFFFAOYSA-N -1 1 298.355 2.753 20 0 CFADMM Cc1nc(CSCCC[N-]C(=O)C(F)(F)F)cs1 ZINC000180785486 625040327 /nfs/dbraw/zinc/04/03/27/625040327.db2.gz JUMHVAKCUUETGZ-UHFFFAOYSA-N -1 1 298.355 2.753 20 0 CFADMM CCCCC[C@@H](CC)C(=O)N[C@@H](CCC)c1nn[n-]n1 ZINC000181220537 625080561 /nfs/dbraw/zinc/08/05/61/625080561.db2.gz MMLLVDSCTWFGMN-NEPJUHHUSA-N -1 1 281.404 2.764 20 0 CFADMM C[C@@](O)(CC(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC000181785256 625216681 /nfs/dbraw/zinc/21/66/81/625216681.db2.gz PIRRKHUWOHWMGJ-QGZVFWFLSA-N -1 1 285.343 2.532 20 0 CFADMM CC(C)(/C=C/Cl)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000921505846 625787271 /nfs/dbraw/zinc/78/72/71/625787271.db2.gz UXMMJWSYHYPMRV-VOTSOKGWSA-N -1 1 295.738 2.774 20 0 CFADMM CCCCC[C@H](O)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834822475 625882409 /nfs/dbraw/zinc/88/24/09/625882409.db2.gz OOGZILMFPOHZSO-ZDUSSCGKSA-N -1 1 285.771 2.603 20 0 CFADMM CO[C@H]1CCC[C@H](C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000834823500 625882906 /nfs/dbraw/zinc/88/29/06/625882906.db2.gz YGXQIXZBZFFNRG-RYUDHWBXSA-N -1 1 297.782 2.867 20 0 CFADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H](O)C1CCCCC1 ZINC000834825502 625883690 /nfs/dbraw/zinc/88/36/90/625883690.db2.gz LIXRXLWOSHUWNV-AWEZNQCLSA-N -1 1 297.782 2.603 20 0 CFADMM CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825290 625883744 /nfs/dbraw/zinc/88/37/44/625883744.db2.gz JNODRQKXBIHAKY-WDEREUQCSA-N -1 1 267.756 2.954 20 0 CFADMM C[C@@H]1C[C@@H](C(=O)NCc2ccc([O-])c(Cl)c2)CCC1=O ZINC000834824952 625883995 /nfs/dbraw/zinc/88/39/95/625883995.db2.gz CVEYNYHYCRJJHA-KOLCDFICSA-N -1 1 295.766 2.667 20 0 CFADMM CCC1(C(=O)NCc2ccc([O-])c(Cl)c2)CCOCC1 ZINC000834824919 625884553 /nfs/dbraw/zinc/88/45/53/625884553.db2.gz BSGJKTARCZTMPI-UHFFFAOYSA-N -1 1 297.782 2.869 20 0 CFADMM CSC1(C(=O)NCc2ccc([O-])c(Cl)c2)CCC1 ZINC000834827436 625888456 /nfs/dbraw/zinc/88/84/56/625888456.db2.gz ZTIIEUSLYQOKCL-UHFFFAOYSA-N -1 1 285.796 2.948 20 0 CFADMM O=C(C=C1CCC1)NCc1ccc([O-])c(Cl)c1 ZINC000834829317 625888458 /nfs/dbraw/zinc/88/84/58/625888458.db2.gz SPYDXRVDXXKHCD-UHFFFAOYSA-N -1 1 251.713 2.772 20 0 CFADMM Cc1cnc(COC(=O)c2c([O-])cc(F)cc2F)s1 ZINC000771940555 625992906 /nfs/dbraw/zinc/99/29/06/625992906.db2.gz PYCHADNQYCYUMP-UHFFFAOYSA-N -1 1 285.271 2.792 20 0 CFADMM O=C(NC1C[C@H]2CC[C@@H](C1)S2)c1c(F)ccc([O-])c1F ZINC000888366330 626005569 /nfs/dbraw/zinc/00/55/69/626005569.db2.gz LKGVGRGHZCFWOB-CBLAIPOGSA-N -1 1 299.342 2.827 20 0 CFADMM O=C([O-])c1ccc2c(c1)CN(CC[C@H](O)c1ccccc1)C2 ZINC000851706403 634479338 /nfs/dbraw/zinc/47/93/38/634479338.db2.gz MRUVAXMROBYIFC-KRWDZBQOSA-N -1 1 297.354 2.824 20 0 CFADMM CC[C@@](C)(C(=O)[O-])N(Cc1ncc(C)s1)CC1CC1 ZINC000851707162 634479381 /nfs/dbraw/zinc/47/93/81/634479381.db2.gz UVBCUBWHGRYECM-AWEZNQCLSA-N -1 1 282.409 2.917 20 0 CFADMM O=S(=O)([N-]C[C@]12C[C@H]1CCC2)c1cc2ccccc2o1 ZINC000921925307 626179166 /nfs/dbraw/zinc/17/91/66/626179166.db2.gz UDCDCQJKWVYEOO-DOMZBBRYSA-N -1 1 291.372 2.901 20 0 CFADMM O=C(c1ncccc1[O-])N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000922537260 626304574 /nfs/dbraw/zinc/30/45/74/626304574.db2.gz DDTVSQSDSGHLGK-FZMZJTMJSA-N -1 1 280.327 2.862 20 0 CFADMM CC[C@@H](NC(=O)NCCc1c(F)cc([O-])cc1F)C1CC1 ZINC000923297425 626463937 /nfs/dbraw/zinc/46/39/37/626463937.db2.gz ACDZBZXOZUFEEP-CQSZACIVSA-N -1 1 298.333 2.701 20 0 CFADMM O=C(Cc1cccc(C2CC2)c1)[N-]O[C@@H]1CCCCO1 ZINC000839613324 626548267 /nfs/dbraw/zinc/54/82/67/626548267.db2.gz CWXWXUXTFVSJHQ-MRXNPFEDSA-N -1 1 275.348 2.681 20 0 CFADMM C[C@@]1(CNC(=O)c2c([O-])cccc2Cl)CCCC[C@H]1O ZINC000762546898 626923306 /nfs/dbraw/zinc/92/33/06/626923306.db2.gz DBKDGBSQRZCOFA-DOMZBBRYSA-N -1 1 297.782 2.717 20 0 CFADMM O=C(N[C@@H]1CCC(F)(F)C1)c1c([O-])cccc1Cl ZINC000764348226 627052203 /nfs/dbraw/zinc/05/22/03/627052203.db2.gz ADTWKCFZLAWCFB-SSDOTTSWSA-N -1 1 275.682 2.963 20 0 CFADMM O=C(Nc1ccc(Cl)cc1[O-])C(F)(F)C1(O)CCC1 ZINC000765179718 627123357 /nfs/dbraw/zinc/12/33/57/627123357.db2.gz YDUUPKYJNDXPFW-UHFFFAOYSA-N -1 1 291.681 2.534 20 0 CFADMM Cc1cccc([C@H](C)C(=O)[N-]OCC(F)(F)F)c1 ZINC000766767879 627219794 /nfs/dbraw/zinc/21/97/94/627219794.db2.gz GZQRSINJDSIXFA-VIFPVBQESA-N -1 1 261.243 2.709 20 0 CFADMM O=C(C[C@@H]1CCc2ccccc21)[N-]OCC(F)(F)F ZINC000766767614 627219977 /nfs/dbraw/zinc/21/99/77/627219977.db2.gz GJRDHYKBXUZSME-JTQLQIEISA-N -1 1 273.254 2.717 20 0 CFADMM C[C@@H]1CCCC[C@H]1CC(=O)[N-]OCC(F)(F)F ZINC000766776227 627220315 /nfs/dbraw/zinc/22/03/15/627220315.db2.gz QAHRGHUTGDLFGH-BDAKNGLRSA-N -1 1 253.264 2.813 20 0 CFADMM CCc1cc(=O)[n-]c(S[C@@H](C)OC(=O)OC(C)C)n1 ZINC000767057520 627232898 /nfs/dbraw/zinc/23/28/98/627232898.db2.gz ODKKRUZNTZLAPA-QMMMGPOBSA-N -1 1 286.353 2.744 20 0 CFADMM Cc1oc2ccccc2c1CC(=O)[N-]OCC(F)(F)F ZINC000767094208 627234761 /nfs/dbraw/zinc/23/47/61/627234761.db2.gz ZFEDVPYBLKASQU-UHFFFAOYSA-N -1 1 287.237 2.894 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCCCCCC1 ZINC000767292905 627242735 /nfs/dbraw/zinc/24/27/35/627242735.db2.gz YSWZFBSUPMYWLE-UHFFFAOYSA-N -1 1 251.301 2.938 20 0 CFADMM Cc1nc(C(=O)Nc2ccc(F)cc2[O-])c2ccccn12 ZINC000768256933 627328709 /nfs/dbraw/zinc/32/87/09/627328709.db2.gz BLGWICMPYWVTLP-UHFFFAOYSA-N -1 1 285.278 2.740 20 0 CFADMM CN1CCCC[C@H]1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769243518 627414799 /nfs/dbraw/zinc/41/47/99/627414799.db2.gz KLBQDBOCWFZEJQ-NSHDSACASA-N -1 1 291.376 2.539 20 0 CFADMM CC[C@@H]1CO[C@H](C)CN1C(=O)c1c([O-])cccc1Cl ZINC000769913165 627486607 /nfs/dbraw/zinc/48/66/07/627486607.db2.gz CXOQAXLAAMFIPO-NXEZZACHSA-N -1 1 283.755 2.685 20 0 CFADMM C[C@H]1N(C(=O)c2c([O-])cccc2Cl)CCOC1(C)C ZINC000770014100 627496798 /nfs/dbraw/zinc/49/67/98/627496798.db2.gz ABPKVIFMOUKPNM-SECBINFHSA-N -1 1 283.755 2.685 20 0 CFADMM CN(C(=O)c1c([O-])cccc1Cl)[C@@H]1CCSC1 ZINC000770120451 627503331 /nfs/dbraw/zinc/50/33/31/627503331.db2.gz CGXFZJUCKAUNBF-MRVPVSSYSA-N -1 1 271.769 2.623 20 0 CFADMM O=C(N[C@@H](CO)C1CCCCC1)c1c([O-])cccc1Cl ZINC000771231344 627586394 /nfs/dbraw/zinc/58/63/94/627586394.db2.gz WTHHZBPDLQXIAM-LBPRGKRZSA-N -1 1 297.782 2.717 20 0 CFADMM Cc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cn1 ZINC000771741727 627627319 /nfs/dbraw/zinc/62/73/19/627627319.db2.gz VCTZYMUIMOCRTL-UHFFFAOYSA-N -1 1 286.335 2.570 20 0 CFADMM O=C(OCc1cccnc1Cl)c1ccc([O-])cc1F ZINC000773570241 627838334 /nfs/dbraw/zinc/83/83/34/627838334.db2.gz NNAGGEBVPZZSOE-UHFFFAOYSA-N -1 1 281.670 2.937 20 0 CFADMM C[C@@H](OC(=O)c1ccc([O-])cc1F)c1cccnc1 ZINC000773567355 627838380 /nfs/dbraw/zinc/83/83/80/627838380.db2.gz KFFVEEGKGBUZFK-SECBINFHSA-N -1 1 261.252 2.844 20 0 CFADMM CC(C)c1noc([C@@H](C)OC(=O)c2ccc([O-])cc2F)n1 ZINC000773569271 627838507 /nfs/dbraw/zinc/83/85/07/627838507.db2.gz LNARCRULIPOFGE-MRVPVSSYSA-N -1 1 294.282 2.956 20 0 CFADMM CCN(C(=O)c1ccc2n[n-]c(=S)n2c1)c1ccccc1 ZINC000773773210 627857397 /nfs/dbraw/zinc/85/73/97/627857397.db2.gz QVPKCJTXRBWIGR-UHFFFAOYSA-N -1 1 298.371 2.685 20 0 CFADMM CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2c([O-])cccc2Cl)C1(C)C ZINC000775976081 628089557 /nfs/dbraw/zinc/08/95/57/628089557.db2.gz HUOBGRMUTMGPFG-BZHVJNSISA-N -1 1 297.782 2.835 20 0 CFADMM O=C(OCCCc1ccc(C(F)(F)F)cc1)c1cn[n-]n1 ZINC000805603336 628288415 /nfs/dbraw/zinc/28/84/15/628288415.db2.gz MCRLQOJUXIQFEM-UHFFFAOYSA-N -1 1 299.252 2.613 20 0 CFADMM C[C@H](CCSc1ccccc1)OC(=O)c1cn[n-]n1 ZINC000805604058 628294271 /nfs/dbraw/zinc/29/42/71/628294271.db2.gz URYOQOAJLBKGHP-SNVBAGLBSA-N -1 1 277.349 2.532 20 0 CFADMM O=C(OCc1ccccc1Oc1ccccc1)c1cn[n-]n1 ZINC000805607988 628308415 /nfs/dbraw/zinc/30/84/15/628308415.db2.gz VSADKHRWWDALGH-UHFFFAOYSA-N -1 1 295.298 2.954 20 0 CFADMM C[C@@H](OC(=O)c1cn[n-]n1)c1cccc(Cl)c1F ZINC000805608583 628309530 /nfs/dbraw/zinc/30/95/30/628309530.db2.gz GPJFMBCKXDLGKB-ZCFIWIBFSA-N -1 1 269.663 2.515 20 0 CFADMM O=c1[n-]c(-c2cccc(Cl)n2)nc2ccc(O)cc12 ZINC000778525514 628312668 /nfs/dbraw/zinc/31/26/68/628312668.db2.gz XMFOQHFDUAUILS-UHFFFAOYSA-N -1 1 273.679 2.756 20 0 CFADMM Cc1cnc(C(=O)N(CCc2ccccc2)C2CC2)c([O-])c1 ZINC000778608927 628319807 /nfs/dbraw/zinc/31/98/07/628319807.db2.gz FFMBSYJJNVVJAX-UHFFFAOYSA-N -1 1 296.370 2.943 20 0 CFADMM Cc1cnc(C(=O)N2CCc3c(C)cccc3C2)c([O-])c1 ZINC000778729874 628328328 /nfs/dbraw/zinc/32/83/28/628328328.db2.gz RVBSSZDNLXMKTH-UHFFFAOYSA-N -1 1 282.343 2.603 20 0 CFADMM O=C(NOCCC(F)(F)F)c1c([O-])cccc1Cl ZINC000779326844 628374449 /nfs/dbraw/zinc/37/44/49/628374449.db2.gz XPMMXALXFHNCMY-UHFFFAOYSA-N -1 1 283.633 2.659 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](F)C(C)C)c1 ZINC000784310670 628804015 /nfs/dbraw/zinc/80/40/15/628804015.db2.gz MOHMWSHFDYBZAL-AWEZNQCLSA-N -1 1 282.311 2.675 20 0 CFADMM CC[C@@](C)(NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000786123179 628938581 /nfs/dbraw/zinc/93/85/81/628938581.db2.gz ZBMBZHOJEPUWID-MRXNPFEDSA-N -1 1 270.332 2.842 20 0 CFADMM CCCCCC[C@@](C)(CC)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000786339291 628949642 /nfs/dbraw/zinc/94/96/42/628949642.db2.gz HCMJDLHWXLPMAZ-OAHLLOKOSA-N -1 1 297.399 2.538 20 0 CFADMM C[C@@H](CC(=O)[N-]OCC(F)F)c1c[nH]c2ccccc21 ZINC000787522116 629017210 /nfs/dbraw/zinc/01/72/10/629017210.db2.gz VVMHBJCYVJGUMI-VIFPVBQESA-N -1 1 282.290 2.974 20 0 CFADMM O=C(OC1CCCC1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787956990 629043922 /nfs/dbraw/zinc/04/39/22/629043922.db2.gz XKPOBQXIYVBGKB-UHFFFAOYSA-N -1 1 290.294 2.816 20 0 CFADMM CCCCOc1ccc(C(=O)NOCC(C)C)c([O-])c1 ZINC000789820076 629190500 /nfs/dbraw/zinc/19/05/00/629190500.db2.gz KSVQVRNRFIGOQX-UHFFFAOYSA-N -1 1 281.352 2.889 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1nc(Cl)cs1 ZINC000790047517 629204869 /nfs/dbraw/zinc/20/48/69/629204869.db2.gz HWLYJAUELQGOKG-UHFFFAOYSA-N -1 1 290.131 2.803 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])C1Cc2ccccc2C1 ZINC000790048776 629205272 /nfs/dbraw/zinc/20/52/72/629205272.db2.gz UYBJKDYZWRVBOW-UHFFFAOYSA-N -1 1 288.734 2.794 20 0 CFADMM O=C(C=C1CCCC1)Nc1nc(Cl)ccc1[O-] ZINC000790051155 629205686 /nfs/dbraw/zinc/20/56/86/629205686.db2.gz MMLBHNKUBYIEDY-UHFFFAOYSA-N -1 1 252.701 2.880 20 0 CFADMM CN(C)c1cccc(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000790063641 629207639 /nfs/dbraw/zinc/20/76/39/629207639.db2.gz PYYAINJNCKNAMI-UHFFFAOYSA-N -1 1 291.738 2.759 20 0 CFADMM CC(C)(C)[C@H]1CN(C(=O)c2c([O-])cccc2Cl)CCO1 ZINC000791080579 629286797 /nfs/dbraw/zinc/28/67/97/629286797.db2.gz CFQSOJOSZBJOSF-GFCCVEGCSA-N -1 1 297.782 2.933 20 0 CFADMM CCc1cnc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)o1 ZINC000793834375 629599971 /nfs/dbraw/zinc/59/99/71/629599971.db2.gz MUNIIGZDAGIKPB-UHFFFAOYSA-N -1 1 298.264 2.784 20 0 CFADMM C[C@H](COc1ccccc1)C(=O)[N-]OC/C=C\Cl ZINC000794288547 629631514 /nfs/dbraw/zinc/63/15/14/629631514.db2.gz MAHULFNJUBRPCM-UIJKISKDSA-N -1 1 269.728 2.502 20 0 CFADMM C[C@H](O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1F ZINC000795379816 629768740 /nfs/dbraw/zinc/76/87/40/629768740.db2.gz HRIINDHGWYNCIB-JTQLQIEISA-N -1 1 295.335 2.680 20 0 CFADMM C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1F ZINC000795379818 629768869 /nfs/dbraw/zinc/76/88/69/629768869.db2.gz HRIINDHGWYNCIB-SNVBAGLBSA-N -1 1 295.335 2.680 20 0 CFADMM COC(=O)c1ccc(C(=O)OCCCCOC(C)(C)C)[n-]1 ZINC000796349069 629907151 /nfs/dbraw/zinc/90/71/51/629907151.db2.gz BBURSFOTWZBKJZ-UHFFFAOYSA-N -1 1 297.351 2.553 20 0 CFADMM COC(=O)c1ccc(C(=O)OC[C@H]2CCC[C@H](C)C2)[n-]1 ZINC000796369673 629909688 /nfs/dbraw/zinc/90/96/88/629909688.db2.gz RDMORSXEABHIGQ-QWRGUYRKSA-N -1 1 279.336 2.784 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@@H]2C=CCCCCC2)[n-]1 ZINC000797253777 630048479 /nfs/dbraw/zinc/04/84/79/630048479.db2.gz SGVBZYLNBUYOQR-LLVKDONJSA-N -1 1 277.320 2.847 20 0 CFADMM CSCC(C)(C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000800548182 630395366 /nfs/dbraw/zinc/39/53/66/630395366.db2.gz HCAQCSBHAPFJCE-UHFFFAOYSA-N -1 1 274.773 2.768 20 0 CFADMM CCSCCCNC(=O)c1c([O-])cccc1Cl ZINC000800573802 630396115 /nfs/dbraw/zinc/39/61/15/630396115.db2.gz RGCAOMRZWNDMOJ-UHFFFAOYSA-N -1 1 273.785 2.919 20 0 CFADMM CC[C@H](C)OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801324802 630441614 /nfs/dbraw/zinc/44/16/14/630441614.db2.gz CLFXQXVIPVFYOZ-VIFPVBQESA-N -1 1 278.283 2.672 20 0 CFADMM O=C(OCCCF)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801356945 630442723 /nfs/dbraw/zinc/44/27/23/630442723.db2.gz BZBSYYYOQWRTGO-UHFFFAOYSA-N -1 1 298.701 2.748 20 0 CFADMM CCc1ccccc1-n1cc([O-])c(C(=O)OCC(F)F)n1 ZINC000801417767 630446105 /nfs/dbraw/zinc/44/61/05/630446105.db2.gz GISQIRHSZAGPON-UHFFFAOYSA-N -1 1 296.273 2.562 20 0 CFADMM CCC(CC)(CCO)NC(=O)c1c([O-])cccc1Cl ZINC000801516007 630452381 /nfs/dbraw/zinc/45/23/81/630452381.db2.gz PTYJXASFZKLTEL-UHFFFAOYSA-N -1 1 285.771 2.717 20 0 CFADMM CCOC1CC(COC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000803321521 630601657 /nfs/dbraw/zinc/60/16/57/630601657.db2.gz LKCCPNXXFAEEEH-UHFFFAOYSA-N -1 1 286.274 2.642 20 0 CFADMM C[C@@H]1CSC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000804501225 630688335 /nfs/dbraw/zinc/68/83/35/630688335.db2.gz VSOABPTVNSIPGK-VXNVDRBHSA-N -1 1 271.769 2.527 20 0 CFADMM C[C@]1(C[N-]C(=O)C(F)(F)C(F)F)CC1(Cl)Cl ZINC000836826543 630893010 /nfs/dbraw/zinc/89/30/10/630893010.db2.gz HAZDRACDNQICKF-ZCFIWIBFSA-N -1 1 282.064 2.587 20 0 CFADMM C[C@@H]1C[C@@H](NC(=O)c2c([O-])cccc2Cl)c2nccn21 ZINC000836954483 630923742 /nfs/dbraw/zinc/92/37/42/630923742.db2.gz LNLJMGDDEGINTF-PSASIEDQSA-N -1 1 291.738 2.678 20 0 CFADMM COC[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000837171009 630968063 /nfs/dbraw/zinc/96/80/63/630968063.db2.gz LHPJSTANLSDFDS-NSHDSACASA-N -1 1 297.782 2.934 20 0 CFADMM CCON(Cc1ccccc1)C(=O)c1ncc(C)cc1[O-] ZINC000837204196 630977833 /nfs/dbraw/zinc/97/78/33/630977833.db2.gz XPYUHUSNIGOPFF-UHFFFAOYSA-N -1 1 286.331 2.690 20 0 CFADMM Cc1noc(C(F)F)c1C(=O)[N-]c1cccc2nonc21 ZINC000808801650 631050718 /nfs/dbraw/zinc/05/07/18/631050718.db2.gz JTZJPIPDXCHJAB-UHFFFAOYSA-N -1 1 294.217 2.709 20 0 CFADMM C[C@H](C(=O)Nc1nc(Br)ccc1[O-])C1CCC1 ZINC000837574427 631072985 /nfs/dbraw/zinc/07/29/85/631072985.db2.gz HCOTUASQMLOHGH-ZETCQYMHSA-N -1 1 299.168 2.924 20 0 CFADMM CC(C)c1nnc(COC(=O)c2ccc([O-])cc2F)s1 ZINC000837612864 631085652 /nfs/dbraw/zinc/08/56/52/631085652.db2.gz PLXURUIHJIVLSE-UHFFFAOYSA-N -1 1 296.323 2.863 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)CSC2CC2)c1 ZINC000837873652 631146753 /nfs/dbraw/zinc/14/67/53/631146753.db2.gz ZJICFYDLJCNVGH-UHFFFAOYSA-N -1 1 294.372 2.576 20 0 CFADMM CSCC[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000809687423 631263896 /nfs/dbraw/zinc/26/38/96/631263896.db2.gz YVWXYZBBHFRQEA-ZETCQYMHSA-N -1 1 275.320 2.542 20 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CFADMM CCCCc1noc([C@@H](C)O[N-]C(=O)CC(C)(C)C)n1 ZINC000842063972 631521165 /nfs/dbraw/zinc/52/11/65/631521165.db2.gz UUDKNFPJVIMTBJ-SNVBAGLBSA-N -1 1 283.372 2.957 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CCCSC1 ZINC000811394321 631558789 /nfs/dbraw/zinc/55/87/89/631558789.db2.gz AUIHUCREEBKTLS-ZETCQYMHSA-N -1 1 272.757 2.522 20 0 CFADMM CC(=O)c1cccc([N-]S(=O)(=O)C2=CCCCC2)c1O ZINC000842586258 631673643 /nfs/dbraw/zinc/67/36/43/631673643.db2.gz OHJHIWYHBTVQSB-UHFFFAOYSA-N -1 1 295.360 2.794 20 0 CFADMM CON(Cc1ccccc1Cl)C(=O)c1cncc([O-])c1 ZINC000812428065 631718395 /nfs/dbraw/zinc/71/83/95/631718395.db2.gz DHOJRWHJLRGTLT-UHFFFAOYSA-N -1 1 292.722 2.644 20 0 CFADMM COCC1(COC(=O)c2c([O-])cc(F)cc2F)CCC1 ZINC000812581536 631737191 /nfs/dbraw/zinc/73/71/91/631737191.db2.gz KGBRKDNVMQZPTB-UHFFFAOYSA-N -1 1 286.274 2.644 20 0 CFADMM CCc1ccc([C@H](C)C(=O)[N-]OCCOC(C)C)cc1 ZINC000812804195 631784117 /nfs/dbraw/zinc/78/41/17/631784117.db2.gz JKMMAHIWVDKLPZ-ZDUSSCGKSA-N -1 1 279.380 2.825 20 0 CFADMM [O-]c1cccc(CNCc2cccc(F)n2)c1Cl ZINC000815131577 632211352 /nfs/dbraw/zinc/21/13/52/632211352.db2.gz HOGGAXKZECUBIK-UHFFFAOYSA-N -1 1 266.703 2.870 20 0 CFADMM CO[C@@H]1CCC[C@@H](C(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000816426400 632454126 /nfs/dbraw/zinc/45/41/26/632454126.db2.gz HKLGMSAHTFEMBZ-RKDXNWHRSA-N -1 1 284.743 2.584 20 0 CFADMM CC[C@H](C)CO[N-]C(=O)[C@H](c1ccccc1)N(C)CC ZINC000816980804 632544511 /nfs/dbraw/zinc/54/45/11/632544511.db2.gz UGQFMNJTIYPDAE-ZFWWWQNUSA-N -1 1 278.396 2.773 20 0 CFADMM O=C(NN1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000106036752 632550886 /nfs/dbraw/zinc/55/08/86/632550886.db2.gz WKTJHIIYVUAHBY-UHFFFAOYSA-N -1 1 270.332 2.676 20 0 CFADMM C[C@H](C(=O)[N-]OCC(F)F)c1ccc(Cl)cc1 ZINC000845944145 632602132 /nfs/dbraw/zinc/60/21/32/632602132.db2.gz NJGMCVOIHXIRSX-ZETCQYMHSA-N -1 1 263.671 2.756 20 0 CFADMM C[C@H](C(=O)[N-]OCC1CC1)c1cn(C)c2ccccc12 ZINC000817344642 632609886 /nfs/dbraw/zinc/60/98/86/632609886.db2.gz NXEZSZBPOYLVLO-NSHDSACASA-N -1 1 272.348 2.740 20 0 CFADMM O=C(NOCCC1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817393457 632619909 /nfs/dbraw/zinc/61/99/09/632619909.db2.gz QNDBGQQNGDLKMD-UHFFFAOYSA-N -1 1 289.253 2.873 20 0 CFADMM COCCCO[N-]C(=O)[C@H](C)c1ccc(Cl)cc1 ZINC000846141703 632644567 /nfs/dbraw/zinc/64/45/67/632644567.db2.gz MUTZSJHEOHYJAW-SNVBAGLBSA-N -1 1 271.744 2.528 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H](O)CC12CCC2 ZINC000817676161 632684209 /nfs/dbraw/zinc/68/42/09/632684209.db2.gz AUJKLAYQLULVKJ-SNVBAGLBSA-N -1 1 295.766 2.565 20 0 CFADMM C[C@@]1(CCNC(=O)c2cc(F)ccc2[O-])C[C@@]1(F)Cl ZINC000846403043 632703128 /nfs/dbraw/zinc/70/31/28/632703128.db2.gz GPBWUUIKVPMSNK-OLZOCXBDSA-N -1 1 289.709 2.966 20 0 CFADMM C[C@]1(CCNC(=O)c2c([O-])cccc2F)C[C@]1(F)Cl ZINC000846412627 632707368 /nfs/dbraw/zinc/70/73/68/632707368.db2.gz RMYORVVHCQFPMS-QWHCGFSZSA-N -1 1 289.709 2.966 20 0 CFADMM O=C(OCC1CC=CC1)c1c([O-])cc(F)cc1F ZINC000849718157 633687291 /nfs/dbraw/zinc/68/72/91/633687291.db2.gz JJAMDFGAYYQZIG-UHFFFAOYSA-N -1 1 254.232 2.793 20 0 CFADMM C[C@H](Cc1ccccc1Cl)NC(=O)c1cncc([O-])c1 ZINC000111776170 635180055 /nfs/dbraw/zinc/18/00/55/635180055.db2.gz KGZAWQCHTXLVOW-SNVBAGLBSA-N -1 1 290.750 2.802 20 0 CFADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1C[C@@]12CCOC2 ZINC000885676932 635284036 /nfs/dbraw/zinc/28/40/36/635284036.db2.gz XJUSGONWVHIEEW-FUXBKTLASA-N -1 1 285.702 2.550 20 0 CFADMM CC[C@H](C)OCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885677064 635285051 /nfs/dbraw/zinc/28/50/51/635285051.db2.gz ZJVVKFPYPAEZOS-ZETCQYMHSA-N -1 1 275.707 2.938 20 0 CFADMM C[C@H](C(=O)Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCCO1 ZINC000885680486 635312384 /nfs/dbraw/zinc/31/23/84/635312384.db2.gz ROCZNGIDCOQJRU-MADCSZMMSA-N -1 1 287.718 2.938 20 0 CFADMM CCCC=CC(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000854506062 635320534 /nfs/dbraw/zinc/32/05/34/635320534.db2.gz PKCHFXJTMVSCMO-WAYWQWQTSA-N -1 1 260.293 2.747 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(Cl)nc(C2CC2)c1 ZINC000854632520 635351622 /nfs/dbraw/zinc/35/16/22/635351622.db2.gz NGHKULJOZMRFNX-UHFFFAOYSA-N -1 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1 288.343 2.871 20 0 CFADMM O=c1nc(N2CCC[C@@H]2C2CCCC2)cc(Cl)[n-]1 ZINC000858360239 636206869 /nfs/dbraw/zinc/20/68/69/636206869.db2.gz YCEKJSFKWLFJLF-SNVBAGLBSA-N -1 1 267.760 2.995 20 0 CFADMM CCCO[C@@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858403065 636222242 /nfs/dbraw/zinc/22/22/42/636222242.db2.gz SPJOTQCDJABXDY-SNVBAGLBSA-N -1 1 285.775 2.621 20 0 CFADMM CCS[C@@H]1CCC[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858434403 636238144 /nfs/dbraw/zinc/23/81/44/636238144.db2.gz GDQKVWOYDBCOFG-HTQZYQBOSA-N -1 1 273.789 2.922 20 0 CFADMM CC(C)CSCCNc1cc(Cl)[n-]c(=O)n1 ZINC000858456506 636250173 /nfs/dbraw/zinc/25/01/73/636250173.db2.gz AHHRWJXCQLRAMQ-UHFFFAOYSA-N -1 1 261.778 2.637 20 0 CFADMM O=c1nc(N[C@H]2CC23CCCCC3)cc(Cl)[n-]1 ZINC000858466056 636256034 /nfs/dbraw/zinc/25/60/34/636256034.db2.gz VGOZAOXYLGIFFL-QMMMGPOBSA-N -1 1 253.733 2.970 20 0 CFADMM C[C@@H]1CC(CCNc2cc(Cl)[n-]c(=O)n2)C[C@@H](C)O1 ZINC000858532451 636284431 /nfs/dbraw/zinc/28/44/31/636284431.db2.gz JHSFVGMQLOLITF-RKDXNWHRSA-N -1 1 285.775 2.841 20 0 CFADMM O=c1nc(NCC2(C(F)(F)F)CC2)cc(Cl)[n-]1 ZINC000858543444 636287174 /nfs/dbraw/zinc/28/71/74/636287174.db2.gz IWLYGXZFQJKSTC-UHFFFAOYSA-N -1 1 267.638 2.590 20 0 CFADMM CC(C)[C@@H]1C[C@H](CNc2cc(Cl)[n-]c(=O)n2)CCO1 ZINC000858560381 636292965 /nfs/dbraw/zinc/29/29/65/636292965.db2.gz URSVERQXRWTFRR-ZJUUUORDSA-N -1 1 285.775 2.699 20 0 CFADMM CCSC1(CNc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858633065 636313317 /nfs/dbraw/zinc/31/33/17/636313317.db2.gz ZJFWXRUJSDDPQX-UHFFFAOYSA-N -1 1 259.762 2.533 20 0 CFADMM CC1(C)[C@H](CNc2cc(Cl)[n-]c(=O)n2)C1(F)F ZINC000858632054 636313708 /nfs/dbraw/zinc/31/37/08/636313708.db2.gz NSRFVVYAFUIUCO-YFKPBYRVSA-N -1 1 263.675 2.539 20 0 CFADMM C[C@@]1(CCNc2cc(Cl)[n-]c(=O)n2)CC1(F)F ZINC000858628652 636314140 /nfs/dbraw/zinc/31/41/40/636314140.db2.gz XECXPRFXCZHFHR-SECBINFHSA-N -1 1 263.675 2.683 20 0 CFADMM O=C([O-])C1CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000159161247 650249527 /nfs/dbraw/zinc/24/95/27/650249527.db2.gz UVOUWAMRSWWINE-UHFFFAOYSA-N -1 1 271.719 2.776 20 0 CFADMM CCC(F)(F)C[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000859322775 636540498 /nfs/dbraw/zinc/54/04/98/636540498.db2.gz GVRSSPRWEVKTGY-HJWRWDBZSA-N -1 1 289.347 2.930 20 0 CFADMM CCC(F)(F)C[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000859322793 636541586 /nfs/dbraw/zinc/54/15/86/636541586.db2.gz HKUOIOPVHUSRGX-FPLPWBNLSA-N -1 1 293.310 2.761 20 0 CFADMM O=C1[N-]C(=S)S/C1=C\c1ccc(Cl)cc1F ZINC000187759271 650298839 /nfs/dbraw/zinc/29/88/39/650298839.db2.gz SBMDFKHBJGVCKV-BAQGIRSFSA-N -1 1 273.741 2.968 20 0 CFADMM O=C(c1ncccc1[O-])N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863242020 637601149 /nfs/dbraw/zinc/60/11/49/637601149.db2.gz STCLATYBWTZYTN-SOUVJXGZSA-N -1 1 294.354 2.663 20 0 CFADMM Cc1ccc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(Cl)n1 ZINC000863532081 637685891 /nfs/dbraw/zinc/68/58/91/637685891.db2.gz IWFXPYJBHFTKOM-BXKDBHETSA-N -1 1 282.771 2.586 20 0 CFADMM CN(CC(=O)Nc1ccc2[n-]c(=S)oc2c1)C1CCC1 ZINC000863896621 637804545 /nfs/dbraw/zinc/80/45/45/637804545.db2.gz 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2.532 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3cccc(C(C)=O)c3)no2)n[n-]1 ZINC001212429216 780173050 /nfs/dbraw/zinc/17/30/50/780173050.db2.gz FQHBLKYWKWEFMQ-UHFFFAOYSA-N -1 1 296.286 2.532 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3cccc(C(C)=O)c3)no2)[n-]n1 ZINC001212429216 780173055 /nfs/dbraw/zinc/17/30/55/780173055.db2.gz FQHBLKYWKWEFMQ-UHFFFAOYSA-N -1 1 296.286 2.532 20 0 CFADMM CCOc1ncccc1-c1ccc2nc(C(=O)OC)[n-]c2c1 ZINC001240492980 780199878 /nfs/dbraw/zinc/19/98/78/780199878.db2.gz TUERCKDJGHVFCA-UHFFFAOYSA-N -1 1 297.314 2.810 20 0 CFADMM CCOc1ncccc1-c1ccc2[n-]c(C(=O)OC)nc2c1 ZINC001240492980 780199885 /nfs/dbraw/zinc/19/98/85/780199885.db2.gz TUERCKDJGHVFCA-UHFFFAOYSA-N -1 1 297.314 2.810 20 0 CFADMM COc1cc(-c2cc(F)ccc2[O-])nc(SC)n1 ZINC001240693368 780363974 /nfs/dbraw/zinc/36/39/74/780363974.db2.gz PJJFBLUEJFLNPY-UHFFFAOYSA-N -1 1 266.297 2.719 20 0 CFADMM COC(=O)c1c[nH]c2nc(-c3cc(F)ccc3[O-])ccc12 ZINC001240693502 780364066 /nfs/dbraw/zinc/36/40/66/780364066.db2.gz SLIDIZYJZTYDJB-UHFFFAOYSA-N -1 1 286.262 2.861 20 0 CFADMM COC(=O)c1ccc(F)c(-c2cc(F)ccc2[O-])n1 ZINC001240693780 780364722 /nfs/dbraw/zinc/36/47/22/780364722.db2.gz HVYJCCJWRUYQQE-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM COC(=O)c1cc(F)c(OC)nc1-c1cc(F)ccc1[O-] ZINC001240694409 780365064 /nfs/dbraw/zinc/36/50/64/780365064.db2.gz RGOQKYBXRAMTDS-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM O=C(c1ccc(-c2cc(F)ccc2[O-])nc1)N1CCCC1 ZINC001240696024 780367503 /nfs/dbraw/zinc/36/75/03/780367503.db2.gz WRQJGTNRGQGVSI-UHFFFAOYSA-N -1 1 286.306 2.829 20 0 CFADMM CC(C)S(=O)(=O)c1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240698110 780369812 /nfs/dbraw/zinc/36/98/12/780369812.db2.gz GKZOYZDUIKUCIQ-UHFFFAOYSA-N -1 1 295.335 2.775 20 0 CFADMM CC(=O)c1ccccc1-c1noc(-c2ncccc2[O-])n1 ZINC001212480953 780394454 /nfs/dbraw/zinc/39/44/54/780394454.db2.gz RIHLWOXOMYUJNZ-UHFFFAOYSA-N -1 1 281.271 2.707 20 0 CFADMM Cc1cc(-c2noc(-c3ncccc3[O-])n2)cnc1C ZINC001212482370 780398025 /nfs/dbraw/zinc/39/80/25/780398025.db2.gz KUPXKCNWYXWUKL-UHFFFAOYSA-N -1 1 268.276 2.516 20 0 CFADMM COc1cc(-c2cccc3cncn32)ccc1C(=O)[O-] ZINC001240744608 780410006 /nfs/dbraw/zinc/41/00/06/780410006.db2.gz ICPBFZRVUMQPGC-UHFFFAOYSA-N -1 1 268.272 2.708 20 0 CFADMM COc1cc(-c2cc(-n3ccnc3)ccn2)ccc1C(=O)[O-] ZINC001240744046 780410104 /nfs/dbraw/zinc/41/01/04/780410104.db2.gz XGYHZERBGMTVCF-UHFFFAOYSA-N -1 1 295.298 2.641 20 0 CFADMM COC(=O)c1c(C)ccnc1-c1ccc([O-])c(F)c1 ZINC001240782859 780436130 /nfs/dbraw/zinc/43/61/30/780436130.db2.gz HJQSNLZVMJXNFQ-UHFFFAOYSA-N -1 1 261.252 2.688 20 0 CFADMM [O-]c1ccc(-c2nc3[nH]cnc3c(C(F)(F)F)n2)cc1F ZINC001240783612 780436796 /nfs/dbraw/zinc/43/67/96/780436796.db2.gz WIPWKWXUKNMRCA-UHFFFAOYSA-N -1 1 298.199 2.835 20 0 CFADMM CCN(C)c1cc(C)nc(-c2ccc([O-])c(F)c2)n1 ZINC001240782641 780436927 /nfs/dbraw/zinc/43/69/27/780436927.db2.gz DLYIQOHACDHGFB-UHFFFAOYSA-N -1 1 261.300 2.753 20 0 CFADMM CC(C)c1nc2c(ncnc2-c2ccc([O-])c(F)c2)[nH]1 ZINC001240783527 780437146 /nfs/dbraw/zinc/43/71/46/780437146.db2.gz VNTLGPXJJYCSRD-UHFFFAOYSA-N -1 1 272.283 2.988 20 0 CFADMM CN(C)C(=S)Oc1cccnc1-c1ccc([O-])c(F)c1 ZINC001240786631 780442443 /nfs/dbraw/zinc/44/24/43/780442443.db2.gz XMRCDSNUQKKCOP-UHFFFAOYSA-N -1 1 292.335 2.819 20 0 CFADMM O=c1c(-c2ccc([O-])c(F)c2)ccnn1-c1ccccc1 ZINC001240789748 780445157 /nfs/dbraw/zinc/44/51/57/780445157.db2.gz CGRIFKAZXBRXHL-UHFFFAOYSA-N -1 1 282.274 2.744 20 0 CFADMM Cc1ccc(F)cc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001240920702 780521146 /nfs/dbraw/zinc/52/11/46/780521146.db2.gz AVDPAHXQKJOVMQ-UHFFFAOYSA-N -1 1 269.275 2.614 20 0 CFADMM Cc1cc2ncnc(-c3c(F)cc([O-])cc3F)c2[nH]1 ZINC001241118039 780646550 /nfs/dbraw/zinc/64/65/50/780646550.db2.gz DFGGMEMNKRMTCD-UHFFFAOYSA-N -1 1 261.231 2.917 20 0 CFADMM [O-]c1cc(F)c(-c2cnc3cccnc3n2)c(F)c1 ZINC001241117789 780646625 /nfs/dbraw/zinc/64/66/25/780646625.db2.gz YKRRVKOJUDUEAQ-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM Cc1ccc2c(ncnc2-c2c(F)cc([O-])cc2F)n1 ZINC001241119566 780648827 /nfs/dbraw/zinc/64/88/27/780648827.db2.gz GQKHDRPFIXXLHJ-UHFFFAOYSA-N -1 1 273.242 2.984 20 0 CFADMM CCn1cccc(-c2c(F)cc([O-])cc2F)c1=O ZINC001241120915 780649963 /nfs/dbraw/zinc/64/99/63/780649963.db2.gz RUPSMJKODNIUHN-UHFFFAOYSA-N -1 1 251.232 2.519 20 0 CFADMM COC(=O)c1cnc(C)c(-c2c(F)cc([O-])cc2F)c1 ZINC001241125404 780652061 /nfs/dbraw/zinc/65/20/61/780652061.db2.gz VAPNYQMIOGFUOD-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM COC(=O)c1ccc(-c2c(F)cc([O-])cc2F)c(OC)n1 ZINC001241122599 780652154 /nfs/dbraw/zinc/65/21/54/780652154.db2.gz HGBYEVFSZWOFTF-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM COc1cc(C)c(-c2nc(C)cc3c2C(=O)[N-]C3=O)cc1C ZINC001241134620 780660167 /nfs/dbraw/zinc/66/01/67/780660167.db2.gz WSODRDYWJUUEOW-UHFFFAOYSA-N -1 1 296.326 2.566 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3ccncc3F)cc2[n-]1 ZINC001241230227 780720127 /nfs/dbraw/zinc/72/01/27/780720127.db2.gz UIZVETOKELGYQU-UHFFFAOYSA-N -1 1 285.278 2.941 20 0 CFADMM CCOC(=O)c1nc2cc(-c3ccncc3F)ccc2[n-]1 ZINC001241230227 780720131 /nfs/dbraw/zinc/72/01/31/780720131.db2.gz UIZVETOKELGYQU-UHFFFAOYSA-N -1 1 285.278 2.941 20 0 CFADMM COC(=O)c1cc(C)cc(-c2c(F)ccc([O-])c2F)n1 ZINC001241289083 780758167 /nfs/dbraw/zinc/75/81/67/780758167.db2.gz KCUUKLNRTXGYQQ-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM CC(C)Oc1ccc(-c2c(F)ccc([O-])c2F)nn1 ZINC001241289013 780758198 /nfs/dbraw/zinc/75/81/98/780758198.db2.gz GKLLEQGCJBKIKS-UHFFFAOYSA-N -1 1 266.247 2.915 20 0 CFADMM C[C@@H]1CC(=O)Nc2ncnc(-c3c(F)ccc([O-])c3F)c21 ZINC001241289077 780758513 /nfs/dbraw/zinc/75/85/13/780758513.db2.gz JWLQELRJWIVVMH-ZCFIWIBFSA-N -1 1 291.257 2.573 20 0 CFADMM CCCOc1nccnc1-c1c(F)ccc([O-])c1F ZINC001241289906 780759149 /nfs/dbraw/zinc/75/91/49/780759149.db2.gz FBDIUCLENOZXJZ-UHFFFAOYSA-N -1 1 266.247 2.916 20 0 CFADMM CCS(=O)(=O)c1ccnc(-c2c(F)ccc([O-])c2F)c1 ZINC001241290658 780759650 /nfs/dbraw/zinc/75/96/50/780759650.db2.gz CVJMXXWSAFIWAU-UHFFFAOYSA-N -1 1 299.298 2.526 20 0 CFADMM CCOC(=O)c1cccnc1-c1c(F)ccc([O-])c1F ZINC001241290255 780759697 /nfs/dbraw/zinc/75/96/97/780759697.db2.gz JVQPCQNIBYDQPX-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM COCOc1ccc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241289705 780759924 /nfs/dbraw/zinc/75/99/24/780759924.db2.gz YKOJQZRPBMAONL-UHFFFAOYSA-N -1 1 267.231 2.715 20 0 CFADMM CC(C)Oc1cnc(-c2c(F)ccc([O-])c2F)cn1 ZINC001241289362 780760133 /nfs/dbraw/zinc/76/01/33/780760133.db2.gz SDWHXNUNDLXKOX-UHFFFAOYSA-N -1 1 266.247 2.915 20 0 CFADMM CC(=O)Nc1cccc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291869 780761520 /nfs/dbraw/zinc/76/15/20/780761520.db2.gz VDIVCNURGZIRHS-UHFFFAOYSA-N -1 1 264.231 2.691 20 0 CFADMM CC(C)Nc1ccnc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291233 780761586 /nfs/dbraw/zinc/76/15/86/780761586.db2.gz UIYOKLQCFQNZCW-UHFFFAOYSA-N -1 1 265.263 2.948 20 0 CFADMM CCOC(=O)c1cnc(C)nc1-c1c(F)ccc([O-])c1F ZINC001241291857 780761837 /nfs/dbraw/zinc/76/18/37/780761837.db2.gz UNGOWZXBZLQTPB-UHFFFAOYSA-N -1 1 294.257 2.613 20 0 CFADMM CCOc1cc(F)ccc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001241321888 780780855 /nfs/dbraw/zinc/78/08/55/780780855.db2.gz IJQLKQJGEKJNCO-UHFFFAOYSA-N -1 1 299.301 2.704 20 0 CFADMM Fc1ccc(Cl)cc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001241331315 780785095 /nfs/dbraw/zinc/78/50/95/780785095.db2.gz FNNQFEQOJZTFNK-UHFFFAOYSA-N -1 1 275.674 2.721 20 0 CFADMM Fc1ccc(Cl)cc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001241331315 780785098 /nfs/dbraw/zinc/78/50/98/780785098.db2.gz FNNQFEQOJZTFNK-UHFFFAOYSA-N -1 1 275.674 2.721 20 0 CFADMM Cn1ccc2c1ccnc2-c1cccc(C(=O)[O-])c1 ZINC001241356965 780806178 /nfs/dbraw/zinc/80/61/78/780806178.db2.gz LYQFUOLEKGQKCI-UHFFFAOYSA-N -1 1 252.273 2.939 20 0 CFADMM O=C([O-])[C@@H]1CCN(Cc2ccsc2C(F)(F)F)C1 ZINC000704315177 781095689 /nfs/dbraw/zinc/09/56/89/781095689.db2.gz IYLARNJIAQPCJO-MRVPVSSYSA-N -1 1 279.283 2.673 20 0 CFADMM Cn1ccc2c1cccc2-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001241822971 781144556 /nfs/dbraw/zinc/14/45/56/781144556.db2.gz HUVJRJTZSRQNQJ-UHFFFAOYSA-N -1 1 290.322 2.658 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3cnn(C4CC4)c3)cc2[n-]1 ZINC001241910333 781176021 /nfs/dbraw/zinc/17/60/21/781176021.db2.gz LPKLKQCMAUYUMX-UHFFFAOYSA-N -1 1 296.330 2.938 20 0 CFADMM CCOC(=O)c1nc2cc(-c3cnn(C4CC4)c3)ccc2[n-]1 ZINC001241910333 781176023 /nfs/dbraw/zinc/17/60/23/781176023.db2.gz LPKLKQCMAUYUMX-UHFFFAOYSA-N -1 1 296.330 2.938 20 0 CFADMM C=Cc1cccc(-c2nc(C)cc3c2C(=O)[N-]C3=O)c1 ZINC001241945255 781200966 /nfs/dbraw/zinc/20/09/66/781200966.db2.gz AIDMAHPAFHBNTD-UHFFFAOYSA-N -1 1 264.284 2.584 20 0 CFADMM CC(=O)Nc1cc(-c2cc(C(F)(F)F)ccc2[O-])ncn1 ZINC001242131611 781295673 /nfs/dbraw/zinc/29/56/73/781295673.db2.gz HOTBWUHDDWIYMZ-UHFFFAOYSA-N -1 1 297.236 2.826 20 0 CFADMM CN(C)c1cnc(-c2cc(C(F)(F)F)ccc2[O-])cn1 ZINC001242132579 781295805 /nfs/dbraw/zinc/29/58/05/781295805.db2.gz UQDJDHQKXGHVHX-UHFFFAOYSA-N -1 1 283.253 2.934 20 0 CFADMM Cc1ccnc(-c2cc(C(F)(F)F)ccc2[O-])c1C(N)=O ZINC001242131791 781295882 /nfs/dbraw/zinc/29/58/82/781295882.db2.gz PMNITNCLZVZBHD-UHFFFAOYSA-N -1 1 296.248 2.880 20 0 CFADMM C(=Cc1ccc(-c2nnn[n-]2)nc1)Cc1ccccc1 ZINC001242141889 781298169 /nfs/dbraw/zinc/29/81/69/781298169.db2.gz HXBOHZXPBYLRIM-XBXARRHUSA-N -1 1 263.304 2.518 20 0 CFADMM C(=Cc1ccc(-c2nn[n-]n2)nc1)Cc1ccccc1 ZINC001242141889 781298172 /nfs/dbraw/zinc/29/81/72/781298172.db2.gz HXBOHZXPBYLRIM-XBXARRHUSA-N -1 1 263.304 2.518 20 0 CFADMM COc1cnc(-c2ccc([O-])c(C(F)(F)F)c2)nc1 ZINC001242148363 781300643 /nfs/dbraw/zinc/30/06/43/781300643.db2.gz VSOFJJFMPXAXLH-UHFFFAOYSA-N -1 1 270.210 2.877 20 0 CFADMM Cn1cnc2ncnc(-c3ccc([O-])c(C(F)(F)F)c3)c21 ZINC001242151849 781303914 /nfs/dbraw/zinc/30/39/14/781303914.db2.gz VUXDZTNXCHMGBP-UHFFFAOYSA-N -1 1 294.236 2.755 20 0 CFADMM NC(=O)c1ccncc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242158423 781308169 /nfs/dbraw/zinc/30/81/69/781308169.db2.gz YAFIFIDJILWLOG-UHFFFAOYSA-N -1 1 282.221 2.572 20 0 CFADMM [O-]c1ccc(-c2nccn3ncnc23)cc1C(F)(F)F ZINC001242166749 781310344 /nfs/dbraw/zinc/31/03/44/781310344.db2.gz VZINRMYJEZRABP-UHFFFAOYSA-N -1 1 280.209 2.516 20 0 CFADMM COc1cc(S(C)(=O)=O)ccc1-c1ccc(F)cc1[O-] ZINC001242219244 781333920 /nfs/dbraw/zinc/33/39/20/781333920.db2.gz OWGXHPSPXMZBHE-UHFFFAOYSA-N -1 1 296.319 2.610 20 0 CFADMM O=c1cnc(-c2ccc(F)cc2[O-])cn1-c1ccccc1 ZINC001242219491 781334279 /nfs/dbraw/zinc/33/42/79/781334279.db2.gz HTPQCHJKGAYZKT-UHFFFAOYSA-N -1 1 282.274 2.744 20 0 CFADMM [O-]c1cc(F)ccc1-c1cnc(OC2CCOCC2)nc1 ZINC001242219823 781334615 /nfs/dbraw/zinc/33/46/15/781334615.db2.gz SHLQAOOBACWFEO-UHFFFAOYSA-N -1 1 290.294 2.546 20 0 CFADMM O=C1Cc2cc(-c3ccc4cccnc4c3)ccc2C(=O)[N-]1 ZINC001242249181 781345051 /nfs/dbraw/zinc/34/50/51/781345051.db2.gz JEQQVLQIABYHMO-UHFFFAOYSA-N -1 1 288.306 2.714 20 0 CFADMM O=c1c(-c2cccc(F)c2[O-])cccn1-c1cccnc1 ZINC001242353310 781426046 /nfs/dbraw/zinc/42/60/46/781426046.db2.gz LZCSUUCUVYRADM-UHFFFAOYSA-N -1 1 282.274 2.744 20 0 CFADMM O=c1c(-c2cccc(F)c2[O-])cccn1CC1CC1 ZINC001242352705 781427072 /nfs/dbraw/zinc/42/70/72/781427072.db2.gz NWDKKXLASVSGPV-UHFFFAOYSA-N -1 1 259.280 2.770 20 0 CFADMM Cn1nnc2cc(-c3cccc(Cl)c3[O-])ccc21 ZINC001242367359 781438862 /nfs/dbraw/zinc/43/88/62/781438862.db2.gz KRDWDQHUMBNKGE-UHFFFAOYSA-N -1 1 259.696 2.994 20 0 CFADMM O=C1Cc2c(cccc2-c2cccc(Cl)c2[O-])CN1 ZINC001242365350 781438994 /nfs/dbraw/zinc/43/89/94/781438994.db2.gz AYEQNSGXDDKDPG-UHFFFAOYSA-N -1 1 273.719 2.885 20 0 CFADMM [O-]c1c(Cl)cccc1-c1ccc(Cc2nn[nH]n2)cc1 ZINC001242365931 781439092 /nfs/dbraw/zinc/43/90/92/781439092.db2.gz MVIGMMUQKPHASU-UHFFFAOYSA-N -1 1 286.722 2.817 20 0 CFADMM COC(=O)c1cnccc1-c1cccc(Cl)c1[O-] ZINC001242366510 781439244 /nfs/dbraw/zinc/43/92/44/781439244.db2.gz YWHHEEXERJPOBV-UHFFFAOYSA-N -1 1 263.680 2.894 20 0 CFADMM COC(=O)c1cc(-c2cccc(Cl)c2[O-])ccn1 ZINC001242365358 781439426 /nfs/dbraw/zinc/43/94/26/781439426.db2.gz MBNGTIRUKUWBLM-UHFFFAOYSA-N -1 1 263.680 2.894 20 0 CFADMM [O-]c1c(Cl)cccc1-c1ccc(N2CCOCC2)nc1 ZINC001242365176 781439460 /nfs/dbraw/zinc/43/94/60/781439460.db2.gz ZIAFPUDGHPJMRO-UHFFFAOYSA-N -1 1 290.750 2.944 20 0 CFADMM Cc1ccoc1CN(C)Cc1cc(C(=O)[O-])cs1 ZINC000711486595 781443746 /nfs/dbraw/zinc/44/37/46/781443746.db2.gz HROPTVAKVGIPAC-UHFFFAOYSA-N -1 1 265.334 2.980 20 0 CFADMM O=C(NC[C@H]1C=CCC1)c1ccc(Br)c([O-])c1 ZINC000711764717 781471084 /nfs/dbraw/zinc/47/10/84/781471084.db2.gz AXDYUHVNVHSYPV-VIFPVBQESA-N -1 1 296.164 2.851 20 0 CFADMM COC(=O)c1nc2ccc(-c3cc(O)ccc3F)cc2[n-]1 ZINC001242763489 781747514 /nfs/dbraw/zinc/74/75/14/781747514.db2.gz WDVHZKNCZBGCKK-UHFFFAOYSA-N -1 1 286.262 2.861 20 0 CFADMM COC(=O)c1nc2cc(-c3cc(O)ccc3F)ccc2[n-]1 ZINC001242763489 781747520 /nfs/dbraw/zinc/74/75/20/781747520.db2.gz WDVHZKNCZBGCKK-UHFFFAOYSA-N -1 1 286.262 2.861 20 0 CFADMM COc1nc(-c2cccc([O-])c2Cl)nc(C)c1F ZINC001242796823 781762957 /nfs/dbraw/zinc/76/29/57/781762957.db2.gz AVSYIBIYAZKMTD-UHFFFAOYSA-N -1 1 268.675 2.959 20 0 CFADMM COc1cnc(OC)nc1-c1cccc([O-])c1Cl ZINC001242798361 781764564 /nfs/dbraw/zinc/76/45/64/781764564.db2.gz UJFOKWMWLCJTRY-UHFFFAOYSA-N -1 1 266.684 2.520 20 0 CFADMM CON(C)C(=O)c1cccc(-c2cccc([O-])c2Cl)n1 ZINC001242800119 781765097 /nfs/dbraw/zinc/76/50/97/781765097.db2.gz CQGDCKKQYDAXEM-UHFFFAOYSA-N -1 1 292.722 2.741 20 0 CFADMM CC(=O)NCc1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242800016 781765517 /nfs/dbraw/zinc/76/55/17/781765517.db2.gz BICWHAKQGUGVID-UHFFFAOYSA-N -1 1 276.723 2.744 20 0 CFADMM COc1cnc(C)nc1-c1cccc([O-])c1Cl ZINC001242801109 781765575 /nfs/dbraw/zinc/76/55/75/781765575.db2.gz NMSJLHHLPLKPKV-UHFFFAOYSA-N -1 1 250.685 2.820 20 0 CFADMM COC(=O)c1cncc(-c2cccc([O-])c2Cl)c1 ZINC001242800756 781765948 /nfs/dbraw/zinc/76/59/48/781765948.db2.gz SOFZXUKMQGGWHK-UHFFFAOYSA-N -1 1 263.680 2.894 20 0 CFADMM CCOC(=O)Cc1cnc(-c2cccc([O-])c2Cl)nc1 ZINC001242800988 781766072 /nfs/dbraw/zinc/76/60/72/781766072.db2.gz ODJYUAXRWKHXBZ-UHFFFAOYSA-N -1 1 292.722 2.608 20 0 CFADMM O=C1Cc2cnc(-c3cccc([O-])c3Cl)cc2N1 ZINC001242801335 781766300 /nfs/dbraw/zinc/76/63/00/781766300.db2.gz QNTLBFHYMHFAFY-UHFFFAOYSA-N -1 1 260.680 2.602 20 0 CFADMM CS(=O)(=O)c1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242801825 781766975 /nfs/dbraw/zinc/76/69/75/781766975.db2.gz YBHBGGZFVMRZSA-UHFFFAOYSA-N -1 1 283.736 2.511 20 0 CFADMM Cc1cc(S(C)(=O)=O)ncc1-c1cccc([O-])c1Cl ZINC001242802790 781767648 /nfs/dbraw/zinc/76/76/48/781767648.db2.gz IIPOIIHKDKUFFT-UHFFFAOYSA-N -1 1 297.763 2.820 20 0 CFADMM COc1ccc(C(N)=O)c(-c2cccc([O-])c2Cl)c1 ZINC001242802459 781767661 /nfs/dbraw/zinc/76/76/61/781767661.db2.gz IPFLXUJSMFBTSO-UHFFFAOYSA-N -1 1 277.707 2.820 20 0 CFADMM O=c1ccccn1-c1nccc(-c2cccc([O-])c2Cl)n1 ZINC001242801431 781767783 /nfs/dbraw/zinc/76/77/83/781767783.db2.gz QURMBFYXIVQUBQ-UHFFFAOYSA-N -1 1 299.717 2.654 20 0 CFADMM C[C@@H]1CCc2[n-]n([C@H]3CCCSC3)c(=O)c2C1 ZINC001119378920 781781125 /nfs/dbraw/zinc/78/11/25/781781125.db2.gz PORCYAWPMKVRFO-VWYCJHECSA-N -1 1 252.383 2.516 20 0 CFADMM O=C([O-])c1csc(CNC/C=C/c2ccccc2)n1 ZINC001119534628 781823050 /nfs/dbraw/zinc/82/30/50/781823050.db2.gz IMRJIFBEYVZSCR-QPJJXVBHSA-N -1 1 274.345 2.644 20 0 CFADMM O=C([O-])C1CCN(Cc2cc(Cl)ccc2F)CC1 ZINC000082577056 178117275 /nfs/dbraw/zinc/11/72/75/178117275.db2.gz KYIWVRAZCHGOAS-UHFFFAOYSA-N -1 1 271.719 2.776 20 0 CFADMM CCn1c(C2CCN(C(=O)C(C)(C)C)CC2)n[n-]c1=S ZINC000068453175 346853181 /nfs/dbraw/zinc/85/31/81/346853181.db2.gz GHJGBZSAAQJZRY-UHFFFAOYSA-N -1 1 296.440 2.713 20 0 CFADMM CCC(C)(C)C(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000068429246 346852826 /nfs/dbraw/zinc/85/28/26/346852826.db2.gz IEMKACIIIUFOCR-UHFFFAOYSA-N -1 1 296.440 2.620 20 0 CFADMM CCc1ccc(C[N-]C(=O)C(F)(F)C(F)F)s1 ZINC000175992364 529646759 /nfs/dbraw/zinc/64/67/59/529646759.db2.gz HDNRKVRPIKGHPY-UHFFFAOYSA-N -1 1 269.263 2.827 20 0 CFADMM C[C@H](CCc1cccn1C)NC(=O)c1c([O-])cccc1F ZINC000126493436 187244282 /nfs/dbraw/zinc/24/42/82/187244282.db2.gz UAMUHKITIWVDKB-LLVKDONJSA-N -1 1 290.338 2.621 20 0 CFADMM Cc1ccc(-c2noc([N-]Cc3nnc(C4CC4)[nH]3)n2)cc1 ZINC000295014409 199301071 /nfs/dbraw/zinc/30/10/71/199301071.db2.gz SYBCPTMXDYKDJM-UHFFFAOYSA-N -1 1 296.334 2.653 20 0 CFADMM CN(C)c1nc2ccc(NC(=O)c3ccccc3[O-])cc2o1 ZINC000157587852 529805907 /nfs/dbraw/zinc/80/59/07/529805907.db2.gz YLMWVGFRICKUMY-UHFFFAOYSA-N -1 1 297.314 2.852 20 0 CFADMM CSCC1(CCN=c2nc(C(F)(F)F)[n-]s2)CC1 ZINC000596418181 349897743 /nfs/dbraw/zinc/89/77/43/349897743.db2.gz ARRZZQPXXQYLAB-UHFFFAOYSA-N -1 1 297.371 2.924 20 0 CFADMM Cn1nc(NC(=O)c2c(F)ccc([O-])c2F)cc1C1CC1 ZINC000290584650 197757544 /nfs/dbraw/zinc/75/75/44/197757544.db2.gz PWPUGDDAUHMQID-UHFFFAOYSA-N -1 1 293.273 2.534 20 0 CFADMM CCn1cc(S(=O)(=O)[N-]c2cccc(C)c2Cl)cn1 ZINC000075082005 347054182 /nfs/dbraw/zinc/05/41/82/347054182.db2.gz MDCPJRKOGDXQGJ-UHFFFAOYSA-N -1 1 299.783 2.666 20 0 CFADMM CCSC1(CN=c2nc(C(F)(F)F)[n-]s2)CC1 ZINC000596510764 349924802 /nfs/dbraw/zinc/92/48/02/349924802.db2.gz HLOASEDYLUWDEY-UHFFFAOYSA-N -1 1 283.344 2.676 20 0 CFADMM CCCOc1ccc(NC(=O)C2=C([O-])C(C)N=N2)c(C)c1 ZINC000676632484 539460010 /nfs/dbraw/zinc/46/00/10/539460010.db2.gz SPMWMZRUNDQRMH-UHFFFAOYSA-N -1 1 289.335 2.773 20 0 CFADMM Cc1ccc(C(C)(C)CNC(=O)c2cncc([O-])c2)cc1 ZINC000111607201 232192895 /nfs/dbraw/zinc/19/28/95/232192895.db2.gz YQOWGXAUWMAIKK-UHFFFAOYSA-N -1 1 284.359 2.803 20 0 CFADMM Cc1cc(NC(=O)c2ccc3ccccc3c2[O-])nn1C ZINC000156677045 232234971 /nfs/dbraw/zinc/23/49/71/232234971.db2.gz VRRFMRBXXRGWCN-UHFFFAOYSA-N -1 1 281.315 2.840 20 0 CFADMM CCc1cnc(CN2CCC(CCC(=O)[O-])CC2)s1 ZINC000394723955 539521196 /nfs/dbraw/zinc/52/11/96/539521196.db2.gz HXBULPIUQMJFEA-UHFFFAOYSA-N -1 1 282.409 2.782 20 0 CFADMM Cc1ccc2nc(-c3ccc([O-])c(F)c3)[nH]c(=O)c2c1 ZINC000178296125 232377038 /nfs/dbraw/zinc/37/70/38/232377038.db2.gz CWEVIFZTMKVNGK-UHFFFAOYSA-N -1 1 270.263 2.743 20 0 CFADMM O=C(NCC1(CO)CCCC1)c1ccc2ccccc2c1[O-] ZINC000178878666 232390896 /nfs/dbraw/zinc/39/08/96/232390896.db2.gz IBANRBQGZCIFLT-UHFFFAOYSA-N -1 1 299.370 2.828 20 0 CFADMM CCCc1n[n-]c(=S)n1CC(=O)Nc1ccc(C)cc1 ZINC000016597911 346238472 /nfs/dbraw/zinc/23/84/72/346238472.db2.gz HIBBHMGWHDQVBL-UHFFFAOYSA-N -1 1 290.392 2.840 20 0 CFADMM Cc1csc(CN[C@]2(C(=O)[O-])CCC[C@@H](C)C2)n1 ZINC000041812565 346355259 /nfs/dbraw/zinc/35/52/59/346355259.db2.gz VYKTWNOILGTEOE-NOZJJQNGSA-N -1 1 268.382 2.575 20 0 CFADMM CC[C@H](C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315975 346586299 /nfs/dbraw/zinc/58/62/99/346586299.db2.gz MJBJXURKACTLOE-LBPRGKRZSA-N -1 1 289.375 2.860 20 0 CFADMM O=C(Nc1cnoc1)c1cc2ccccc2cc1[O-] ZINC000060393544 346665055 /nfs/dbraw/zinc/66/50/55/346665055.db2.gz RNTGKFFKMCEVFN-UHFFFAOYSA-N -1 1 254.245 2.786 20 0 CFADMM Cc1nsc(C)c1CSc1ncc(C)c(=O)[n-]1 ZINC000563439536 290151624 /nfs/dbraw/zinc/15/16/24/290151624.db2.gz MDSKYXNLHNSOSK-UHFFFAOYSA-N -1 1 267.379 2.856 20 0 CFADMM CC(C)(C)c1ncc(NC(=O)c2ccccc2[O-])cn1 ZINC000064823628 346726441 /nfs/dbraw/zinc/72/64/41/346726441.db2.gz KQMCGINGEWZXNN-UHFFFAOYSA-N -1 1 271.320 2.732 20 0 CFADMM O=C(NCCCc1ccc(O)cc1)c1cc(F)ccc1[O-] ZINC000080028936 347337749 /nfs/dbraw/zinc/33/77/49/347337749.db2.gz ARMWWVBHBIMBBG-UHFFFAOYSA-N -1 1 289.306 2.600 20 0 CFADMM C[S@@](=O)c1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000080031459 347337816 /nfs/dbraw/zinc/33/78/16/347337816.db2.gz PEYKQIMUBROOIX-FQEVSTJZSA-N -1 1 293.319 2.521 20 0 CFADMM CC1CC([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000084939289 347477345 /nfs/dbraw/zinc/47/73/45/347477345.db2.gz KCBLVKSMCRDGJV-UHFFFAOYSA-N -1 1 265.334 2.510 20 0 CFADMM CC(C)c1ccc([C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)cc1 ZINC000089267363 347514320 /nfs/dbraw/zinc/51/43/20/347514320.db2.gz VHTVGOWOOZMCBL-CQSZACIVSA-N -1 1 286.379 2.559 20 0 CFADMM O=C(N[C@@H]1CCCc2ccc(F)cc21)c1cncc([O-])c1 ZINC000089461018 347519513 /nfs/dbraw/zinc/51/95/13/347519513.db2.gz BEEUHGIKNQTFGS-OAHLLOKOSA-N -1 1 286.306 2.734 20 0 CFADMM Clc1ccc(-c2csc(Cc3nn[n-]n3)n2)cc1 ZINC000095234673 347697673 /nfs/dbraw/zinc/69/76/73/347697673.db2.gz KFYQOYGOCJBNJW-UHFFFAOYSA-N -1 1 277.740 2.567 20 0 CFADMM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2ccc(F)cc2)C1 ZINC000113388265 347767065 /nfs/dbraw/zinc/76/70/65/347767065.db2.gz UQEPRDUNBMUHJW-LBPRGKRZSA-N -1 1 291.244 2.665 20 0 CFADMM CC[C@H](NC(=O)c1cncc([O-])c1)C1CCCCC1 ZINC000111740023 347756561 /nfs/dbraw/zinc/75/65/61/347756561.db2.gz OGWQWYHSMWSUGA-AWEZNQCLSA-N -1 1 262.353 2.876 20 0 CFADMM COc1ccc(N(C)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000132885168 347887797 /nfs/dbraw/zinc/88/77/97/347887797.db2.gz ABXXCSPVPRSNPQ-UHFFFAOYSA-N -1 1 275.279 2.817 20 0 CFADMM O=C([O-])C[C@@H]1CCCN1Cc1ccc(Cl)cc1F ZINC000162542025 348030935 /nfs/dbraw/zinc/03/09/35/348030935.db2.gz XVVACQASZVDGRH-NSHDSACASA-N -1 1 271.719 2.918 20 0 CFADMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2N(C)C)c1 ZINC000171773256 348080213 /nfs/dbraw/zinc/08/02/13/348080213.db2.gz SXHDAWRKOPXIDE-UHFFFAOYSA-N -1 1 290.388 2.862 20 0 CFADMM O=C(Nc1cccc2[nH]ccc21)c1cncc([O-])c1 ZINC000171868882 348083421 /nfs/dbraw/zinc/08/34/21/348083421.db2.gz WTEHVUTYZYQRCK-UHFFFAOYSA-N -1 1 253.261 2.521 20 0 CFADMM C[C@H]1SCCN(Cc2ccc(C(=O)[O-])c(F)c2)[C@H]1C ZINC000300119123 348366244 /nfs/dbraw/zinc/36/62/44/348366244.db2.gz AKAIWRYROOZZHK-VHSXEESVSA-N -1 1 283.368 2.850 20 0 CFADMM Cc1ccc([C@@H](N)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000320103191 348435227 /nfs/dbraw/zinc/43/52/27/348435227.db2.gz YNVCCRDLUFYCNK-OAHLLOKOSA-N -1 1 298.342 2.640 20 0 CFADMM O=C(NC1CC=CC1)c1ccc2ccccc2c1[O-] ZINC000125290038 539635088 /nfs/dbraw/zinc/63/50/88/539635088.db2.gz BIRJAKMUJWCJEO-UHFFFAOYSA-N -1 1 253.301 2.994 20 0 CFADMM CC(C)SCCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000394139527 348547917 /nfs/dbraw/zinc/54/79/17/348547917.db2.gz RIYNWBUUCBSJDW-UHFFFAOYSA-N -1 1 265.378 2.842 20 0 CFADMM Cc1cccc([C@@H]2CCN(C(=O)c3ncccc3[O-])C2)c1 ZINC000273457535 192159372 /nfs/dbraw/zinc/15/93/72/192159372.db2.gz IEGIZIXRSSZYNL-CQSZACIVSA-N -1 1 282.343 2.725 20 0 CFADMM C[C@@H](CN(C)Cc1nc2ccccc2n1C(F)F)C(=O)[O-] ZINC000584785517 348715794 /nfs/dbraw/zinc/71/57/94/348715794.db2.gz LARKQHYOEZSNPW-VIFPVBQESA-N -1 1 297.305 2.584 20 0 CFADMM CCCC[C@@H](C)C(=O)Nc1[nH]c(C)nc1C(=O)OCC ZINC000584878203 348724672 /nfs/dbraw/zinc/72/46/72/348724672.db2.gz WHSFCZIZDJJFTE-SECBINFHSA-N -1 1 281.356 2.660 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)C2CC3(CCC3)C2)c1 ZINC000592796900 349167307 /nfs/dbraw/zinc/16/73/07/349167307.db2.gz NXRFILGQCHMNGU-UHFFFAOYSA-N -1 1 289.331 2.698 20 0 CFADMM COC(C)(C)CS(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000414377607 233242805 /nfs/dbraw/zinc/24/28/05/233242805.db2.gz BNEIAPXJTPSTOW-UHFFFAOYSA-N -1 1 283.349 2.600 20 0 CFADMM CCCC[C@@H](C(=O)Nc1ncc(C(=O)OCC)[n-]1)C(C)C ZINC000598730181 350321229 /nfs/dbraw/zinc/32/12/29/350321229.db2.gz ZZFJWEKJYRIXBB-LLVKDONJSA-N -1 1 295.383 2.987 20 0 CFADMM CCCC[C@@H](C(=O)Nc1nc(C(=O)OCC)c[n-]1)C(C)C ZINC000598730181 350321234 /nfs/dbraw/zinc/32/12/34/350321234.db2.gz ZZFJWEKJYRIXBB-LLVKDONJSA-N -1 1 295.383 2.987 20 0 CFADMM CC(C)[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000271363199 191096347 /nfs/dbraw/zinc/09/63/47/191096347.db2.gz FRQYDVYYLFCVKL-RISCZKNCSA-N -1 1 297.782 2.979 20 0 CFADMM O=C(NCC1CCC(c2ccccc2)CC1)c1cnn[nH]1 ZINC000108289191 186212095 /nfs/dbraw/zinc/21/20/95/186212095.db2.gz LZSYGHDCOPRHFN-UHFFFAOYSA-N -1 1 284.363 2.509 20 0 CFADMM O=C(Nc1cnc2ccccc2c1)c1cncc([O-])c1 ZINC000109041364 186240791 /nfs/dbraw/zinc/24/07/91/186240791.db2.gz IMCJOHXFAZBMHV-UHFFFAOYSA-N -1 1 265.272 2.588 20 0 CFADMM Cc1ocnc1C(=O)[N-]c1nc(-c2ccsc2)ns1 ZINC000109110283 186243367 /nfs/dbraw/zinc/24/33/67/186243367.db2.gz BPLWABUMELPYRH-UHFFFAOYSA-N -1 1 292.345 2.815 20 0 CFADMM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1N(C)C ZINC000109424221 186251472 /nfs/dbraw/zinc/25/14/72/186251472.db2.gz BQEFYFKMDGKBTD-UHFFFAOYSA-N -1 1 290.388 2.862 20 0 CFADMM O=C(Nc1ccncc1[O-])c1ccc(Br)cc1 ZINC000109888983 186278165 /nfs/dbraw/zinc/27/81/65/186278165.db2.gz FLQLVHJPKXVHGM-UHFFFAOYSA-N -1 1 293.120 2.802 20 0 CFADMM CCOc1cccc([C@@H](C)NC(=O)c2cncc([O-])c2)c1 ZINC000109959506 186280813 /nfs/dbraw/zinc/28/08/13/186280813.db2.gz CCGUUSOMCPARAR-LLVKDONJSA-N -1 1 286.331 2.677 20 0 CFADMM CSC[C@H]1CCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601340510 350725200 /nfs/dbraw/zinc/72/52/00/350725200.db2.gz SJGFBIXBSKCBMV-LLVKDONJSA-N -1 1 299.823 2.942 20 0 CFADMM CC(C)(C)[C@@H](CCO)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601405343 350730526 /nfs/dbraw/zinc/73/05/26/350730526.db2.gz USJOWJGUXDLSDV-CYBMUJFWSA-N -1 1 299.798 2.501 20 0 CFADMM CCCc1c(C)[n-]n(-c2cccc(C(=O)OC)c2)c1=O ZINC000601945973 350813452 /nfs/dbraw/zinc/81/34/52/350813452.db2.gz WYMVCDLGAOLLOY-CYBMUJFWSA-N -1 1 274.320 2.612 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1n[nH]c2ccccc21 ZINC000605435574 351245768 /nfs/dbraw/zinc/24/57/68/351245768.db2.gz HKYWIKYPDLVJHH-UHFFFAOYSA-N -1 1 271.251 2.660 20 0 CFADMM Cc1cccc(OCC(=O)Nc2c([O-])cccc2F)c1 ZINC000605439990 351246489 /nfs/dbraw/zinc/24/64/89/351246489.db2.gz ZLVQHRZIESJIRE-UHFFFAOYSA-N -1 1 275.279 2.857 20 0 CFADMM COc1cccc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000605439212 351246503 /nfs/dbraw/zinc/24/65/03/351246503.db2.gz FSCXZQDJLHSUOD-UHFFFAOYSA-N -1 1 261.252 2.792 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1ccc(NC2CC2)nc1 ZINC000605440414 351246539 /nfs/dbraw/zinc/24/65/39/351246539.db2.gz RGAXPYPVYVMMHJ-UHFFFAOYSA-N -1 1 287.294 2.753 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1cc2c(s1)CCOC2 ZINC000608366845 351425979 /nfs/dbraw/zinc/42/59/79/351425979.db2.gz OEUGCDNFPHTRGO-UHFFFAOYSA-N -1 1 293.319 2.918 20 0 CFADMM O=C(CSCc1ccncc1)Nc1c([O-])cccc1F ZINC000609851213 351523138 /nfs/dbraw/zinc/52/31/38/351523138.db2.gz URVREFVAIORQQQ-UHFFFAOYSA-N -1 1 292.335 2.798 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cn1 ZINC000121309685 186964283 /nfs/dbraw/zinc/96/42/83/186964283.db2.gz DHJSIPRQBSCLNZ-UHFFFAOYSA-N -1 1 280.324 2.638 20 0 CFADMM CCC[C@H](NC(=O)c1cccc(C(C)C)c1)c1nn[n-]n1 ZINC000612063035 351768168 /nfs/dbraw/zinc/76/81/68/351768168.db2.gz ZOWDUSUHYGTZEX-ZDUSSCGKSA-N -1 1 287.367 2.594 20 0 CFADMM O=C(NC1(C2CC2)CC1)c1ncc2ccccc2c1[O-] ZINC000612405767 351815260 /nfs/dbraw/zinc/81/52/60/351815260.db2.gz FFZNXRSVHFZRQX-UHFFFAOYSA-N -1 1 268.316 2.613 20 0 CFADMM CN(C(=O)c1ncc2ccccc2c1[O-])[C@@H]1CCSC1 ZINC000613008514 351887935 /nfs/dbraw/zinc/88/79/35/351887935.db2.gz BHHQODKAWZWUHQ-LLVKDONJSA-N -1 1 288.372 2.518 20 0 CFADMM C[S@](=O)c1cccc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000613807345 352011149 /nfs/dbraw/zinc/01/11/49/352011149.db2.gz 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/nfs/dbraw/zinc/16/96/46/352169646.db2.gz OXQCDYPOVPDDRA-QMMMGPOBSA-N -1 1 293.754 2.894 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CC[C@H](C)c1ccccc1 ZINC000615222092 352169875 /nfs/dbraw/zinc/16/98/75/352169875.db2.gz PCEDJNKVZKKPRM-JTQLQIEISA-N -1 1 273.336 2.946 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC000615222573 352170094 /nfs/dbraw/zinc/17/00/94/352170094.db2.gz SQQBOWISFFGBPN-LBPRGKRZSA-N -1 1 291.326 2.941 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC000615227211 352170389 /nfs/dbraw/zinc/17/03/89/352170389.db2.gz FOXMJUDMKUONOC-WDEREUQCSA-N -1 1 263.341 2.579 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000615227022 352170784 /nfs/dbraw/zinc/17/07/84/352170784.db2.gz OCHOKLWIRVLGAU-URLYPYJESA-N -1 1 263.341 2.579 20 0 CFADMM Cc1cnc(C(=O)N2CCC[C@@H](c3ccccn3)C2)c([O-])c1 ZINC000615257257 352174285 /nfs/dbraw/zinc/17/42/85/352174285.db2.gz RWSZIHPEDWXKDB-CYBMUJFWSA-N -1 1 297.358 2.510 20 0 CFADMM C[C@@]1(C(F)F)CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000668826860 539835065 /nfs/dbraw/zinc/83/50/65/539835065.db2.gz MOGUXYLEXHNUTA-ZDUSSCGKSA-N -1 1 291.725 2.902 20 0 CFADMM Cc1[n-][nH]c(=NC(=O)[C@]2(C)CC=CCC2)c1Br ZINC000616011132 352273520 /nfs/dbraw/zinc/27/35/20/352273520.db2.gz KQMDYJXCVRSFJM-GFCCVEGCSA-N -1 1 298.184 2.587 20 0 CFADMM O=C(c1c[nH]c2ccccc2c1=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000616729701 352425078 /nfs/dbraw/zinc/42/50/78/352425078.db2.gz SUDPIEIUORXWRX-NHYWBVRUSA-N -1 1 282.343 2.543 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)[C@H]3C[C@H]4C[C@H]4C3)[nH][n-]2)s1 ZINC000616811322 352431822 /nfs/dbraw/zinc/43/18/22/352431822.db2.gz OGEHAMJGDGSUIJ-URLYPYJESA-N -1 1 287.388 2.853 20 0 CFADMM Cc1nc(C(=O)[N-]c2nnc(CCC(C)C)s2)co1 ZINC000617095359 352496167 /nfs/dbraw/zinc/49/61/67/352496167.db2.gz MDZLGFAXXOBUQL-UHFFFAOYSA-N -1 1 280.353 2.675 20 0 CFADMM O=C(N[C@]12C[C@H]1CCC2)c1ccc(Cl)cc1[O-] ZINC000617202767 352512146 /nfs/dbraw/zinc/51/21/46/352512146.db2.gz SUUFIFBWMYODSL-AMIZOPFISA-N -1 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353357963 /nfs/dbraw/zinc/35/79/63/353357963.db2.gz BLGZCSIOHFDVFC-NSHDSACASA-N -1 1 288.273 2.899 20 0 CFADMM C[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@H]1CO ZINC000622233006 353506076 /nfs/dbraw/zinc/50/60/76/353506076.db2.gz CRTITSNETRSHFA-JSGCOSHPSA-N -1 1 299.370 2.636 20 0 CFADMM CC(C)c1n[nH]cc1C(=O)Nc1ccc(F)cc1[O-] ZINC000622467135 353525843 /nfs/dbraw/zinc/52/58/43/353525843.db2.gz JFXIAMABAYRUPL-UHFFFAOYSA-N -1 1 263.272 2.630 20 0 CFADMM O=C(N[C@@H](CO)CC1CCCCC1)c1cc(F)ccc1[O-] ZINC000622722650 353535752 /nfs/dbraw/zinc/53/57/52/353535752.db2.gz KYPQGWYYMDKEQT-CYBMUJFWSA-N -1 1 295.354 2.592 20 0 CFADMM COc1cc(C(=O)NCC2CC(C)C2)cc(Cl)c1[O-] ZINC000623040215 353579381 /nfs/dbraw/zinc/57/93/81/353579381.db2.gz ODRBPZDNQRSXKL-UHFFFAOYSA-N -1 1 283.755 2.830 20 0 CFADMM C[C@]1(CN=c2nc(C(F)(F)F)[n-]s2)C[C@H]2C[C@H]2C1 ZINC000624657599 353919980 /nfs/dbraw/zinc/91/99/80/353919980.db2.gz VGVDQMNLQIBXBM-MTBHXBHISA-N -1 1 277.315 2.827 20 0 CFADMM COCc1nc(=NCC2(C(F)(F)F)CCCC2)s[n-]1 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CC(C)n1c(CNC(=O)c2ccsc2)n[n-]c1=S ZINC000066649958 373943528 /nfs/dbraw/zinc/94/35/28/373943528.db2.gz RXHMJKJHNYTXKZ-UHFFFAOYSA-N -1 1 282.394 2.513 20 0 CFADMM c1ccc(-c2noc([N-]Cc3noc(C4CC4)n3)n2)cc1 ZINC000677883326 541918176 /nfs/dbraw/zinc/91/81/76/541918176.db2.gz ULWVKKLBAJRRKY-UHFFFAOYSA-N -1 1 283.291 2.609 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])C[C@H]1C ZINC000075412174 374480012 /nfs/dbraw/zinc/48/00/12/374480012.db2.gz UCXOKILKNJMABO-RKDXNWHRSA-N -1 1 298.180 2.883 20 0 CFADMM O=S(=O)([N-][C@H]1CC[C@H](F)C1)c1c(F)cccc1Cl ZINC000334154306 206110613 /nfs/dbraw/zinc/11/06/13/206110613.db2.gz RAMUASHGGJBDIP-YUMQZZPRSA-N -1 1 295.738 2.648 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1C[C@H]2CCCC[C@@H]2C1 ZINC000080036168 374639824 /nfs/dbraw/zinc/63/98/24/374639824.db2.gz OCRLQYZONADJSQ-GHMZBOCLSA-N -1 1 263.312 2.794 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1C[C@@H]2CCCC[C@H]2C1 ZINC000181254342 296222335 /nfs/dbraw/zinc/22/23/35/296222335.db2.gz PTYIFHKPNYQPSH-QWRGUYRKSA-N -1 1 263.312 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284.359 2.765 20 0 CFADMM Cc1noc([N-]C(=O)c2cnc(-c3ccsc3)s2)n1 ZINC000112276357 375897184 /nfs/dbraw/zinc/89/71/84/375897184.db2.gz WJJMDBARDAKHBN-UHFFFAOYSA-N -1 1 292.345 2.815 20 0 CFADMM COCc1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000112334488 375905484 /nfs/dbraw/zinc/90/54/84/375905484.db2.gz CAQTUVVIZMTNKT-UHFFFAOYSA-N -1 1 291.372 2.942 20 0 CFADMM Cc1cc(C)cc(N(C)C(=O)c2cncc([O-])c2)c1 ZINC000111739891 375867799 /nfs/dbraw/zinc/86/77/99/375867799.db2.gz QPWJCXNOBGQGLK-UHFFFAOYSA-N -1 1 256.305 2.681 20 0 CFADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(F)c(F)c1 ZINC000111776192 375868936 /nfs/dbraw/zinc/86/89/36/375868936.db2.gz JFDPRDXJKIJSDQ-MRVPVSSYSA-N -1 1 278.258 2.556 20 0 CFADMM O=C(c1cncc([O-])c1)N(CC1CCCCC1)C1CC1 ZINC000111775777 375869421 /nfs/dbraw/zinc/86/94/21/375869421.db2.gz KOXAUCFJXVGARH-UHFFFAOYSA-N -1 1 274.364 2.972 20 0 CFADMM O=C(NCc1ccc(C(F)(F)F)cc1)c1cncc([O-])c1 ZINC000111772351 375869435 /nfs/dbraw/zinc/86/94/35/375869435.db2.gz WCXYERHSYBFZGI-UHFFFAOYSA-N -1 1 296.248 2.736 20 0 CFADMM CN(C)c1c(Cl)cccc1NC(=O)c1cncc([O-])c1 ZINC000111776478 375870559 /nfs/dbraw/zinc/87/05/59/375870559.db2.gz BOCSYDBCVKSJPV-UHFFFAOYSA-N -1 1 291.738 2.759 20 0 CFADMM C[C@]1(c2ccccc2)CCCN(C(=O)c2ncccc2[O-])C1 ZINC000113443006 376016251 /nfs/dbraw/zinc/01/62/51/376016251.db2.gz VARFTWKXXNHEGX-SFHVURJKSA-N -1 1 296.370 2.981 20 0 CFADMM Cc1ccc(C[C@@H]2CCCN2C(=O)c2cncc([O-])c2)cc1 ZINC000113441340 376016268 /nfs/dbraw/zinc/01/62/68/376016268.db2.gz HHRSIYSWYRKGFQ-INIZCTEOSA-N -1 1 296.370 2.943 20 0 CFADMM C[C@@H]1CC[C@H](CC(=O)Nc2cc(-c3nccn3C)n[nH]2)C1 ZINC000119431423 376412217 /nfs/dbraw/zinc/41/22/17/376412217.db2.gz CNXOXJFQYRKILH-MNOVXSKESA-N -1 1 287.367 2.575 20 0 CFADMM Cc1nccc(N2CCC[C@@H](CC(=O)[O-])C2)c1Cl ZINC000571653738 383715129 /nfs/dbraw/zinc/71/51/29/383715129.db2.gz ANRKWURWBDKQBA-JTQLQIEISA-N -1 1 268.744 2.735 20 0 CFADMM CCc1nnc([N-]C(=O)c2cc(F)c(F)cc2F)s1 ZINC000124218977 377027252 /nfs/dbraw/zinc/02/72/52/377027252.db2.gz 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380437775 /nfs/dbraw/zinc/43/77/75/380437775.db2.gz PJKNIMRDADMHNV-QGZVFWFLSA-N -1 1 282.343 2.591 20 0 CFADMM O=C(NCCCc1ccccn1)c1ccc(Cl)cc1[O-] ZINC000179074448 380506922 /nfs/dbraw/zinc/50/69/22/380506922.db2.gz ODEQQWYRDCYRAB-UHFFFAOYSA-N -1 1 290.750 2.803 20 0 CFADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1cncc([O-])c1)CCC2 ZINC000179403976 380540101 /nfs/dbraw/zinc/54/01/01/380540101.db2.gz JYADBHCPVOPPCD-INIZCTEOSA-N -1 1 282.343 2.903 20 0 CFADMM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cncc([O-])c1 ZINC000179709006 380572607 /nfs/dbraw/zinc/57/26/07/380572607.db2.gz RCTVUUPWNRNPTQ-ZBEGNZNMSA-N -1 1 282.343 2.841 20 0 CFADMM CO[C@H](C)c1nc(=NC[C@@H]2CCC[C@H](C)C2)s[n-]1 ZINC000336785360 380630500 /nfs/dbraw/zinc/63/05/00/380630500.db2.gz CWZLDOZYPPJFEH-HBNTYKKESA-N -1 1 269.414 2.906 20 0 CFADMM CO[C@H](C)c1nc(=NCC2CCC(C)CC2)s[n-]1 ZINC000336785427 380630838 /nfs/dbraw/zinc/63/08/38/380630838.db2.gz DLANVIXPNJPXKW-HSOILSAZSA-N -1 1 269.414 2.906 20 0 CFADMM CN(C(=O)c1cncc([O-])c1)C1CCCCCCC1 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1 283.755 2.974 20 0 CFADMM CCn1ccc(CN(C)C(=O)c2ccc([O-])c(F)c2)c1 ZINC000682947003 542614918 /nfs/dbraw/zinc/61/49/18/542614918.db2.gz JHSGLGRJBOWZTI-UHFFFAOYSA-N -1 1 276.311 2.625 20 0 CFADMM CC(C)C[C@]1(CO)CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000191524141 130249095 /nfs/dbraw/zinc/24/90/95/130249095.db2.gz TZRJSKCMRMRZLK-INIZCTEOSA-N -1 1 295.354 2.545 20 0 CFADMM CCc1ocnc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000265752357 131631452 /nfs/dbraw/zinc/63/14/52/131631452.db2.gz IALCFPZVCIJRKZ-UHFFFAOYSA-N -1 1 280.353 2.638 20 0 CFADMM O=C([N-]c1cc(-c2ccccc2F)on1)c1cocn1 ZINC000684153952 542770647 /nfs/dbraw/zinc/77/06/47/542770647.db2.gz RLJYPPQYPLCHGT-UHFFFAOYSA-N -1 1 273.223 2.721 20 0 CFADMM O=C(NCCc1ccc(F)cc1Cl)c1cncc([O-])c1 ZINC000035994900 393521838 /nfs/dbraw/zinc/52/18/38/393521838.db2.gz ZNPUOEIYJGBDPY-UHFFFAOYSA-N -1 1 294.713 2.552 20 0 CFADMM C[C@H]1SCC[C@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000379836531 393554191 /nfs/dbraw/zinc/55/41/91/393554191.db2.gz DZICVSPRSIFNQE-GMSGAONNSA-N -1 1 271.769 2.669 20 0 CFADMM O=C(Nc1cccc2c1CCO2)c1ccc([O-])c(F)c1 ZINC000684504704 542819809 /nfs/dbraw/zinc/81/98/09/542819809.db2.gz ADNJWRRWSWVCRO-UHFFFAOYSA-N -1 1 273.263 2.719 20 0 CFADMM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000046813224 393581615 /nfs/dbraw/zinc/58/16/15/393581615.db2.gz GELNBVIGVDZING-GXSJLCMTSA-N -1 1 289.347 2.822 20 0 CFADMM FC(F)(F)c1nc(=N[C@@H]2CC[C@@H]3C[C@@H]3C2)s[n-]1 ZINC000403468727 393614171 /nfs/dbraw/zinc/61/41/71/393614171.db2.gz NYKMBDVANCOIJM-FSDSQADBSA-N -1 1 263.288 2.579 20 0 CFADMM CC(C)(C)c1[nH]ncc1C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000334748933 393619571 /nfs/dbraw/zinc/61/95/71/393619571.db2.gz XCWDZFAGWHKQAJ-UHFFFAOYSA-N -1 1 295.289 2.943 20 0 CFADMM CCN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000077612864 393700763 /nfs/dbraw/zinc/70/07/63/393700763.db2.gz QKFGBGUTUCIXNU-UHFFFAOYSA-N -1 1 294.351 2.831 20 0 CFADMM CCC[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)OCC ZINC000195083287 393730585 /nfs/dbraw/zinc/73/05/85/393730585.db2.gz MSBHXOXKGRNWDK-LLVKDONJSA-N -1 1 296.392 2.884 20 0 CFADMM C[N@H+]1CCC[C@@H]1CCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000195078451 393730789 /nfs/dbraw/zinc/73/07/89/393730789.db2.gz HPVNYQOKCKARTA-LLVKDONJSA-N -1 1 279.409 2.636 20 0 CFADMM CCn1nc(C)c(NC(=O)c2cc(F)ccc2[O-])c1C ZINC000091684338 393785327 /nfs/dbraw/zinc/78/53/27/393785327.db2.gz QONBLDWNMMHCEV-UHFFFAOYSA-N -1 1 277.299 2.617 20 0 CFADMM CC(C)c1nc(CN2CC[C@@H](C(=O)[O-])[C@H]2C)cs1 ZINC000092939539 393792671 /nfs/dbraw/zinc/79/26/71/393792671.db2.gz PRKLVMYEFINCDL-MWLCHTKSSA-N -1 1 268.382 2.562 20 0 CFADMM COCc1nc(CN2CCCC[C@H]2CCC(=O)[O-])cs1 ZINC000424264992 393807123 /nfs/dbraw/zinc/80/71/23/393807123.db2.gz URBLPWFFWOTQNG-LBPRGKRZSA-N -1 1 298.408 2.509 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)c2csc(C)c2C)n1 ZINC000415648293 393814890 /nfs/dbraw/zinc/81/48/90/393814890.db2.gz NXAWNYFWDXDZLK-UHFFFAOYSA-N -1 1 293.348 2.517 20 0 CFADMM COCC[C@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000111867270 393888132 /nfs/dbraw/zinc/88/81/32/393888132.db2.gz CESQRBHSJGUSSX-NSHDSACASA-N -1 1 273.332 2.700 20 0 CFADMM O=C(NC[C@H]1CC12CC2)c1ccc(Br)cc1[O-] ZINC000416256211 393890276 /nfs/dbraw/zinc/89/02/76/393890276.db2.gz JSYYNHPUQLBTHF-MRVPVSSYSA-N -1 1 296.164 2.685 20 0 CFADMM CCOc1cc(C(=O)NC[C@@H]2CC23CC3)cc(Cl)c1[O-] ZINC000416256899 393890284 /nfs/dbraw/zinc/89/02/84/393890284.db2.gz KWCMTBPZPHTOGO-JTQLQIEISA-N -1 1 295.766 2.974 20 0 CFADMM O=C(NC[C@H]1CC12CC2)c1ccc(Cl)cc1[O-] ZINC000416061945 393859183 /nfs/dbraw/zinc/85/91/83/393859183.db2.gz DLZFCBCUYPTGBY-MRVPVSSYSA-N -1 1 251.713 2.576 20 0 CFADMM O=C(NC[C@H]1CCC(F)(F)C1)c1ccc([O-])c(F)c1 ZINC000684757790 542849944 /nfs/dbraw/zinc/84/99/44/542849944.db2.gz MLVMFMLIEGDCIQ-QMMMGPOBSA-N -1 1 273.254 2.697 20 0 CFADMM O=S(=O)([N-][C@@H]1CCCC[C@H]1F)c1cccc(F)c1F ZINC000416592280 393931835 /nfs/dbraw/zinc/93/18/35/393931835.db2.gz MKXIDWLTAFDMHO-PSASIEDQSA-N -1 1 293.310 2.524 20 0 CFADMM CCC[C@@H](NC(=O)C[C@H]1CCCCC1(C)C)c1nn[n-]n1 ZINC000119612409 393920960 /nfs/dbraw/zinc/92/09/60/393920960.db2.gz ZBFNUZAKXGRNAS-VXGBXAGGSA-N -1 1 293.415 2.764 20 0 CFADMM CCC[C@H](NC(=O)C[C@H]1CCCCC1(C)C)c1nn[n-]n1 ZINC000119612276 393921325 /nfs/dbraw/zinc/92/13/25/393921325.db2.gz ZBFNUZAKXGRNAS-NEPJUHHUSA-N -1 1 293.415 2.764 20 0 CFADMM O=S(=O)([N-]C1CCC1)c1ccc(Cl)c(F)c1Cl ZINC000416505175 393922461 /nfs/dbraw/zinc/92/24/61/393922461.db2.gz BITVQSOZARGRIG-UHFFFAOYSA-N -1 1 298.166 2.963 20 0 CFADMM CCN(C)C(=O)c1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000436802364 394023419 /nfs/dbraw/zinc/02/34/19/394023419.db2.gz BWGUWERDOFKIIG-UHFFFAOYSA-N -1 1 298.342 2.736 20 0 CFADMM CCCn1cc(CN[C@@H](CC(=O)[O-])c2ccsc2)cn1 ZINC000417540312 393973549 /nfs/dbraw/zinc/97/35/49/393973549.db2.gz WWEJKQVAAXVDDA-ZDUSSCGKSA-N -1 1 293.392 2.660 20 0 CFADMM O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000123501209 393982113 /nfs/dbraw/zinc/98/21/13/393982113.db2.gz MVDPDRRPDHEDSD-RISCZKNCSA-N -1 1 295.766 2.733 20 0 CFADMM Cc1cnc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000417628599 393986796 /nfs/dbraw/zinc/98/67/96/393986796.db2.gz PLSMXDSHEGBEMF-STQMWFEESA-N -1 1 288.372 2.854 20 0 CFADMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc(Cl)ccc1[O-] ZINC000436824211 394025789 /nfs/dbraw/zinc/02/57/89/394025789.db2.gz ZGUWJLKIMCCPJW-BZBKMWRSSA-N -1 1 251.713 2.574 20 0 CFADMM CCc1ccc(C(=O)Nc2nc(C)ccc2OC)c([O-])c1 ZINC000436835732 394026265 /nfs/dbraw/zinc/02/62/65/394026265.db2.gz WUQTXXKDOMGUQD-UHFFFAOYSA-N -1 1 286.331 2.919 20 0 CFADMM CCCC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])C(=O)OC ZINC000436979547 394040848 /nfs/dbraw/zinc/04/08/48/394040848.db2.gz KFLSQRFSUDDABE-LLVKDONJSA-N -1 1 299.754 2.507 20 0 CFADMM COC1CCC(CCNC(=O)c2c([O-])cccc2F)CC1 ZINC000436985116 394040911 /nfs/dbraw/zinc/04/09/11/394040911.db2.gz CDVQLJQXFHYGQD-UHFFFAOYSA-N -1 1 295.354 2.856 20 0 CFADMM CO[C@H](C)c1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436990241 394042105 /nfs/dbraw/zinc/04/21/05/394042105.db2.gz UVKAZUCZGQUOCQ-LLVKDONJSA-N -1 1 299.326 2.921 20 0 CFADMM CC(C)O[C@@H]1C[C@@H](NC(=O)c2ccc([O-])cc2F)C1(C)C ZINC000274371919 394042203 /nfs/dbraw/zinc/04/22/03/394042203.db2.gz QIUWYGMUYVYSDK-ZIAGYGMSSA-N -1 1 295.354 2.853 20 0 CFADMM COc1ccc(C(=O)Nc2cc3c[nH]nc3cc2C)c([O-])c1 ZINC000436998972 394042340 /nfs/dbraw/zinc/04/23/40/394042340.db2.gz CWIZAFWNGYOSEY-UHFFFAOYSA-N -1 1 297.314 2.838 20 0 CFADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc(Br)cc1[O-] ZINC000437000869 394042519 /nfs/dbraw/zinc/04/25/19/394042519.db2.gz OMEMOUCDYXYDAX-WDEREUQCSA-N -1 1 296.164 2.683 20 0 CFADMM Cc1ccncc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000439121195 394100748 /nfs/dbraw/zinc/10/07/48/394100748.db2.gz UTZRWHDITZSSAY-UHFFFAOYSA-N -1 1 284.344 2.516 20 0 CFADMM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1c([O-])cccc1F ZINC000130063569 394101120 /nfs/dbraw/zinc/10/11/20/394101120.db2.gz FAACODJPHDKTAL-SGIREYDYSA-N -1 1 283.302 2.599 20 0 CFADMM Cc1ccc(C[C@@H](C)N(C)C(=O)c2ncccc2[O-])cc1 ZINC000127429692 394050406 /nfs/dbraw/zinc/05/04/06/394050406.db2.gz SEGLSUYHBVLQGV-CYBMUJFWSA-N -1 1 284.359 2.799 20 0 CFADMM CN(CCC(F)(F)F)C(=O)c1cc(F)ccc1[O-] ZINC000128679958 394074692 /nfs/dbraw/zinc/07/46/92/394074692.db2.gz HWVLZVWIPZVQHE-UHFFFAOYSA-N -1 1 265.206 2.556 20 0 CFADMM CC[C@H](CNC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436864873 394030834 /nfs/dbraw/zinc/03/08/34/394030834.db2.gz OMRJCTLRKNHNPZ-CYBMUJFWSA-N -1 1 297.354 2.885 20 0 CFADMM CC(=O)c1ccc([O-])c(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000436864116 394030958 /nfs/dbraw/zinc/03/09/58/394030958.db2.gz YFQCVVYKKUQYHW-UHFFFAOYSA-N -1 1 295.298 2.723 20 0 CFADMM CC(C)(C)C1CC(NC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436896521 394032621 /nfs/dbraw/zinc/03/26/21/394032621.db2.gz ZCPIXHMHFKVENM-UHFFFAOYSA-N -1 1 275.348 2.516 20 0 CFADMM C[C@H]1CCC[C@H](CCNC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436898460 394033087 /nfs/dbraw/zinc/03/30/87/394033087.db2.gz XTTJIDDGZXVDHA-QWHCGFSZSA-N -1 1 289.375 2.908 20 0 CFADMM O=C(Nc1ccc2ncsc2c1)C(=O)c1ccc([O-])cc1 ZINC000436902433 394033260 /nfs/dbraw/zinc/03/32/60/394033260.db2.gz UABXDFCFDOHKEE-UHFFFAOYSA-N -1 1 298.323 2.823 20 0 CFADMM O=C(Nc1cccc2[nH]c(=O)oc21)c1ccc([O-])cc1F ZINC000436932721 394036022 /nfs/dbraw/zinc/03/60/22/394036022.db2.gz DHEWPFJLWVEFAJ-UHFFFAOYSA-N -1 1 288.234 2.630 20 0 CFADMM COc1cc(F)c(F)cc1NC(=O)c1ccccc1[O-] ZINC000436930358 394036333 /nfs/dbraw/zinc/03/63/33/394036333.db2.gz XEIKDFPWPBDTEI-UHFFFAOYSA-N -1 1 279.242 2.931 20 0 CFADMM Cc1cc(C(=O)N=c2ccn(CCC(C)C)[nH]2)ccc1[O-] ZINC000436937406 394036491 /nfs/dbraw/zinc/03/64/91/394036491.db2.gz IHSCLDAOZJFTKU-UHFFFAOYSA-N -1 1 287.363 2.617 20 0 CFADMM Cc1cnc(C(=O)N[C@@H]2CCc3ccccc32)c([O-])c1 ZINC000358720370 394111547 /nfs/dbraw/zinc/11/15/47/394111547.db2.gz OQJPZVJHXQSGNY-CYBMUJFWSA-N -1 1 268.316 2.513 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(F)cn1 ZINC000131427518 394132629 /nfs/dbraw/zinc/13/26/29/394132629.db2.gz RINFOELSEYGIRX-UHFFFAOYSA-N -1 1 266.659 2.832 20 0 CFADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc(F)cc1 ZINC000132943368 394166763 /nfs/dbraw/zinc/16/67/63/394166763.db2.gz ZQNXGANTPLXCMF-UHFFFAOYSA-N -1 1 293.319 2.657 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](OCC2CC2)C1 ZINC000364453333 394216273 /nfs/dbraw/zinc/21/62/73/394216273.db2.gz BWHBAVVAEGILQU-CYBMUJFWSA-N -1 1 293.338 2.563 20 0 CFADMM C[C@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C[C@H]1C ZINC000289383850 394217871 /nfs/dbraw/zinc/21/78/71/394217871.db2.gz CXQGQFMHANDTAX-DTWKUNHWSA-N -1 1 269.291 2.789 20 0 CFADMM CCC[C@@](C)(CO)NC(=O)c1cc2ccccc2cc1[O-] ZINC000135382408 394218493 /nfs/dbraw/zinc/21/84/93/394218493.db2.gz FKKYIEPGNUIWRO-KRWDZBQOSA-N -1 1 287.359 2.826 20 0 CFADMM Cc1nsc(NC(=O)c2ccc3ccccc3c2[O-])n1 ZINC000135390668 394219732 /nfs/dbraw/zinc/21/97/32/394219732.db2.gz LKWGJRLTFWAFJE-UHFFFAOYSA-N -1 1 285.328 2.958 20 0 CFADMM CCC[C@H](CC1CCCCC1)C(=O)Nc1nnn[n-]1 ZINC000135463822 394220666 /nfs/dbraw/zinc/22/06/66/394220666.db2.gz AHEOWBHNEPKBGI-LLVKDONJSA-N -1 1 265.361 2.525 20 0 CFADMM CCC[C@H](CC1CCCCC1)C(=O)Nc1nn[n-]n1 ZINC000135463822 394220668 /nfs/dbraw/zinc/22/06/68/394220668.db2.gz AHEOWBHNEPKBGI-LLVKDONJSA-N -1 1 265.361 2.525 20 0 CFADMM Cc1c(Cl)c(CN[C@]2(C(=O)[O-])CCC[C@@H](C)C2)nn1C ZINC000421817230 394243142 /nfs/dbraw/zinc/24/31/42/394243142.db2.gz SLAOVKLTACKPEM-YMTOWFKASA-N -1 1 299.802 2.505 20 0 CFADMM CN(Cc1ccc(F)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000149034097 394248099 /nfs/dbraw/zinc/24/80/99/394248099.db2.gz JWHHBFUPOJXWQO-UHFFFAOYSA-N -1 1 277.270 2.943 20 0 CFADMM O=C(/C=C\C1CCOCC1)Nc1ccc([O-])c(F)c1F ZINC000493527827 394269603 /nfs/dbraw/zinc/26/96/03/394269603.db2.gz XFRMJIMNDOSAAY-RJRFIUFISA-N -1 1 283.274 2.592 20 0 CFADMM CN(Cc1ccc(O)cc1)C(=O)c1ccc([O-])cc1F ZINC000154978500 394306528 /nfs/dbraw/zinc/30/65/28/394306528.db2.gz MDDBFDPSIFMRIQ-UHFFFAOYSA-N -1 1 275.279 2.509 20 0 CFADMM O=S(=O)(CCCCF)[N-]c1nccc2ccccc21 ZINC000451089943 394356804 /nfs/dbraw/zinc/35/68/04/394356804.db2.gz NXMKCDAILLUYPH-UHFFFAOYSA-N -1 1 282.340 2.726 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1ocnc1C1CC1 ZINC000685435882 542912453 /nfs/dbraw/zinc/91/24/53/542912453.db2.gz WJQVFOOWJAWBPN-UHFFFAOYSA-N -1 1 262.240 2.649 20 0 CFADMM COCCC1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000529630483 394416967 /nfs/dbraw/zinc/41/69/67/394416967.db2.gz IXLRIBMVZIWMEO-UHFFFAOYSA-N -1 1 299.317 2.559 20 0 CFADMM Cc1ccc(C)c([C@@H](C)N(C)Cc2cnc(C(=O)[O-])cn2)c1 ZINC000530163430 394463994 /nfs/dbraw/zinc/46/39/94/394463994.db2.gz YPMPNRVNYVYBAH-CYBMUJFWSA-N -1 1 299.374 2.985 20 0 CFADMM O=C([O-])c1ccc(F)c2c1CN([C@@H]1C=CCCC1)CC2 ZINC000530167227 394465995 /nfs/dbraw/zinc/46/59/95/394465995.db2.gz BHMJYGZEAIDDOL-LLVKDONJSA-N -1 1 275.323 2.991 20 0 CFADMM CCc1nc(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)cs1 ZINC000530180436 394473361 /nfs/dbraw/zinc/47/33/61/394473361.db2.gz ZPUGJBZNKFHWDM-UWVGGRQHSA-N -1 1 282.409 2.779 20 0 CFADMM O=C([O-])C[C@H]1CCCCN1Cc1ncccc1Cl ZINC000530211291 394481825 /nfs/dbraw/zinc/48/18/25/394481825.db2.gz HXTZRRVYKWOWAL-SNVBAGLBSA-N -1 1 268.744 2.564 20 0 CFADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CC1(Cl)Cl ZINC000530005174 394442016 /nfs/dbraw/zinc/44/20/16/394442016.db2.gz GBCOEWMHJKIFOU-YFKPBYRVSA-N -1 1 264.083 2.664 20 0 CFADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CC1(Cl)Cl ZINC000530005168 394442041 /nfs/dbraw/zinc/44/20/41/394442041.db2.gz GBCOEWMHJKIFOU-RXMQYKEDSA-N -1 1 264.083 2.664 20 0 CFADMM CCc1cccc(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)c1O ZINC000537711273 394590845 /nfs/dbraw/zinc/59/08/45/394590845.db2.gz MILOLFCRCFVBDQ-STQMWFEESA-N -1 1 290.407 2.509 20 0 CFADMM O=C(Nc1cccc2[nH]c(=O)oc21)c1ccc([O-])c(F)c1 ZINC000685886956 542953995 /nfs/dbraw/zinc/95/39/95/542953995.db2.gz YYZSSLXMHXHAKF-UHFFFAOYSA-N -1 1 288.234 2.630 20 0 CFADMM Cc1ccc(/C=C\c2cc(=O)n3[n-]cnc3n2)cc1Cl ZINC000352027846 292041547 /nfs/dbraw/zinc/04/15/47/292041547.db2.gz QKTWKFGHVRQKPO-PLNGDYQASA-N -1 1 286.722 2.550 20 0 CFADMM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1Cl ZINC000647134947 395168972 /nfs/dbraw/zinc/16/89/72/395168972.db2.gz QZBFCSSWZCEDMA-UHFFFAOYSA-N -1 1 299.783 2.789 20 0 CFADMM CO[C@H](CS(=O)(=O)[N-]c1c(C)cccc1F)C(C)C ZINC000647271507 395267349 /nfs/dbraw/zinc/26/73/49/395267349.db2.gz QGVIEAOUEFANFM-GFCCVEGCSA-N -1 1 289.372 2.547 20 0 CFADMM Cc1c([N-]S(=O)(=O)c2ccccc2F)[nH]nc1C(C)C ZINC000647279145 395267840 /nfs/dbraw/zinc/26/78/40/395267840.db2.gz RUYZZPUBVJIWNG-UHFFFAOYSA-N -1 1 297.355 2.781 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H](c2cccnc2)C1 ZINC000648966346 395378581 /nfs/dbraw/zinc/37/85/81/395378581.db2.gz YGCRVMWWCXNPKK-ZDUSSCGKSA-N -1 1 286.306 2.556 20 0 CFADMM O=C(N[C@H](C1CCC1)C1CCCC1)c1cncc([O-])c1 ZINC000649004611 395395236 /nfs/dbraw/zinc/39/52/36/395395236.db2.gz CCQRNLGSQUGFDM-HNNXBMFYSA-N -1 1 274.364 2.876 20 0 CFADMM O=C(Nc1ccc(Cl)cc1[O-])c1cn(C2CCC2)nn1 ZINC000648841408 395335523 /nfs/dbraw/zinc/33/55/23/395335523.db2.gz WLLCZJSPEDUFBL-UHFFFAOYSA-N -1 1 292.726 2.614 20 0 CFADMM O=C(C(=O)N1CCCC[C@H]1C1CCC1)c1ccc([O-])cc1 ZINC000649196286 395450603 /nfs/dbraw/zinc/45/06/03/395450603.db2.gz JKSYGDKZPSGKTE-HNNXBMFYSA-N -1 1 287.359 2.756 20 0 CFADMM O=C(Nc1ccn2ccnc2c1)c1c(F)ccc([O-])c1F ZINC000647644550 395403859 /nfs/dbraw/zinc/40/38/59/395403859.db2.gz CJNIQSPXVABHAP-UHFFFAOYSA-N -1 1 289.241 2.570 20 0 CFADMM CC(C)(C(=O)[O-])C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000647740262 395423256 /nfs/dbraw/zinc/42/32/56/395423256.db2.gz BJNVZEKNMKICSR-UHFFFAOYSA-N -1 1 297.261 2.550 20 0 CFADMM C[C@H]1CC2(CN1C(=O)c1ccc([O-])c(F)c1)CCOCC2 ZINC000649126914 395433956 /nfs/dbraw/zinc/43/39/56/395433956.db2.gz PWWHRVJZUMWJEF-NSHDSACASA-N -1 1 293.338 2.563 20 0 CFADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ncc[nH]1 ZINC000647808879 395437783 /nfs/dbraw/zinc/43/77/83/395437783.db2.gz SWYDAXZEUPSWBQ-SSDOTTSWSA-N -1 1 299.252 2.625 20 0 CFADMM CC(C)[C@@H]1N(C(=O)c2cccc3nn[nH]c32)CC12CC=CC2 ZINC000649140469 395437908 /nfs/dbraw/zinc/43/79/08/395437908.db2.gz WMRKSYVZHJQZRA-HNNXBMFYSA-N -1 1 296.374 2.775 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000647815884 395438714 /nfs/dbraw/zinc/43/87/14/395438714.db2.gz PJDQGJLGBAHQDH-SUMWQHHRSA-N -1 1 297.358 2.656 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C/C=C/c1ccc(F)cc1 ZINC000647815753 395438895 /nfs/dbraw/zinc/43/88/95/395438895.db2.gz JTHYABIJNYLPFZ-NSCUHMNNSA-N -1 1 275.283 2.605 20 0 CFADMM O=C(NCC1CCC(F)CC1)c1ccc([O-])cc1F ZINC000649149756 395441572 /nfs/dbraw/zinc/44/15/72/395441572.db2.gz VZKFAXWGQCHDGK-UHFFFAOYSA-N -1 1 269.291 2.789 20 0 CFADMM CCC[C@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC000649577177 395529413 /nfs/dbraw/zinc/52/94/13/395529413.db2.gz LTNJZTUNGOOXKR-ZETCQYMHSA-N -1 1 267.803 2.868 20 0 CFADMM CCC(C)(CC)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000184528510 543043991 /nfs/dbraw/zinc/04/39/91/543043991.db2.gz WZKDNWUXZJNPBM-UHFFFAOYSA-N -1 1 264.251 2.588 20 0 CFADMM CC[C@]1(NC(=O)c2cc3ccccc3cc2[O-])CCOC1 ZINC000378740596 543052295 /nfs/dbraw/zinc/05/22/95/543052295.db2.gz HFXLWQVLNQZTOW-KRWDZBQOSA-N -1 1 285.343 2.844 20 0 CFADMM CSc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])s1 ZINC000650796342 413166916 /nfs/dbraw/zinc/16/69/16/413166916.db2.gz RXABITTYEPCLSE-WPRPVWTQSA-N -1 1 271.407 2.908 20 0 CFADMM CSc1ccc(CN2[C@@H](C)CC[C@H]2C(=O)[O-])s1 ZINC000650796342 413166923 /nfs/dbraw/zinc/16/69/23/413166923.db2.gz RXABITTYEPCLSE-WPRPVWTQSA-N -1 1 271.407 2.908 20 0 CFADMM Cc1ccnc([N-]S(=O)(=O)CCC2CC2)c1C1CC1 ZINC000656739015 413168192 /nfs/dbraw/zinc/16/81/92/413168192.db2.gz QSFWBZDQXXQMFP-UHFFFAOYSA-N -1 1 280.393 2.809 20 0 CFADMM O=C([O-])CN(Cc1cc2cc(Cl)cnc2o1)CC1CC1 ZINC000650798962 413172440 /nfs/dbraw/zinc/17/24/40/413172440.db2.gz OTYWQRBZRUCUKC-UHFFFAOYSA-N -1 1 294.738 2.778 20 0 CFADMM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2)C2(CCC2)CO1 ZINC000650804807 413178587 /nfs/dbraw/zinc/17/85/87/413178587.db2.gz LNZFDZGWJOEJEI-GFCCVEGCSA-N -1 1 275.348 2.528 20 0 CFADMM O=C([O-])c1ccc(CN2CCC(c3ccco3)CC2)o1 ZINC000656757490 413187455 /nfs/dbraw/zinc/18/74/55/413187455.db2.gz OYFBQYQIXJZTOV-UHFFFAOYSA-N -1 1 275.304 2.950 20 0 CFADMM Cc1ccc2c(c1)CN(Cc1occc1C(=O)[O-])CC2 ZINC000656759232 413186370 /nfs/dbraw/zinc/18/63/70/413186370.db2.gz YURIQMXJBAWMKE-UHFFFAOYSA-N -1 1 271.316 2.845 20 0 CFADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CCc2ccccc21 ZINC000404807347 413213588 /nfs/dbraw/zinc/21/35/88/413213588.db2.gz ZYADULOXFRQZGF-LBPRGKRZSA-N -1 1 282.343 2.589 20 0 CFADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CCc2ccccc21 ZINC000404807346 413215950 /nfs/dbraw/zinc/21/59/50/413215950.db2.gz ZYADULOXFRQZGF-GFCCVEGCSA-N -1 1 282.343 2.589 20 0 CFADMM Cn1ncc2c1nc(Oc1cccc(Cl)c1)[n-]c2=O ZINC000356492499 155281779 /nfs/dbraw/zinc/28/17/79/155281779.db2.gz TUXMAPRKVGXZNO-UHFFFAOYSA-N -1 1 276.683 2.515 20 0 CFADMM Cc1cccnc1CCCNC(=O)c1ccc([O-])c(F)c1 ZINC000650965146 413251696 /nfs/dbraw/zinc/25/16/96/413251696.db2.gz VDIKDYSKFKJTPS-UHFFFAOYSA-N -1 1 288.322 2.597 20 0 CFADMM CC[C@@H](C)[C@H](OC)C(=O)Nc1ccc(F)cc1[O-] ZINC000356560576 155301964 /nfs/dbraw/zinc/30/19/64/155301964.db2.gz ADRQQCCKBPGBPP-PELKAZGASA-N -1 1 255.289 2.531 20 0 CFADMM O=C(N[C@@H]1CCc2sc(Cl)cc21)c1cncc([O-])c1 ZINC000356703638 155335832 /nfs/dbraw/zinc/33/58/32/155335832.db2.gz KRJWOSOOOFVETP-SNVBAGLBSA-N -1 1 294.763 2.919 20 0 CFADMM O=C(N[C@H]1CCc2sc(Cl)cc21)c1cncc([O-])c1 ZINC000356703454 155335841 /nfs/dbraw/zinc/33/58/41/155335841.db2.gz KRJWOSOOOFVETP-JTQLQIEISA-N -1 1 294.763 2.919 20 0 CFADMM CC[C@H]([N-]S(=O)(=O)c1cc(C)oc1C)C(F)(F)F ZINC000345644939 154229595 /nfs/dbraw/zinc/22/95/95/154229595.db2.gz SRISWEHWTRRDAB-VIFPVBQESA-N -1 1 285.287 2.516 20 0 CFADMM CCN(Cc1c[nH]c2ccccc12)C(=O)c1cncc([O-])c1 ZINC000355000729 154882085 /nfs/dbraw/zinc/88/20/85/154882085.db2.gz NYOHINZAZHSYGH-UHFFFAOYSA-N -1 1 295.342 2.931 20 0 CFADMM COc1cc(O)cc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000355821687 155097324 /nfs/dbraw/zinc/09/73/24/155097324.db2.gz SWZZWAULHJCLQI-UHFFFAOYSA-N -1 1 293.344 2.510 20 0 CFADMM CC(C)(F)CC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000657140602 413317003 /nfs/dbraw/zinc/31/70/03/413317003.db2.gz HWFPEUZDSWRRME-UHFFFAOYSA-N -1 1 297.754 2.896 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCC3(C)C)cnc2n1 ZINC000360160514 156038722 /nfs/dbraw/zinc/03/87/22/156038722.db2.gz DWBDOJFDKRRTCK-GFCCVEGCSA-N -1 1 285.347 2.562 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCC1(C)C)c2=O ZINC000360160514 156038727 /nfs/dbraw/zinc/03/87/27/156038727.db2.gz DWBDOJFDKRRTCK-GFCCVEGCSA-N -1 1 285.347 2.562 20 0 CFADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccsc1 ZINC000360231555 156060116 /nfs/dbraw/zinc/06/01/16/156060116.db2.gz TXCVMLRYURKVCM-UHFFFAOYSA-N -1 1 271.338 2.996 20 0 CFADMM C[C@H]1CCOCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000374989318 157179597 /nfs/dbraw/zinc/17/95/97/157179597.db2.gz JFXVTZMQNKRJCM-LBPRGKRZSA-N -1 1 285.343 2.796 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCOCC2(CCCC2)C1 ZINC000375387451 157236844 /nfs/dbraw/zinc/23/68/44/157236844.db2.gz AMRBACMKSSDVTL-UHFFFAOYSA-N -1 1 293.338 2.564 20 0 CFADMM C[C@@H]1CCC[C@H](C)CN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000408416741 157397022 /nfs/dbraw/zinc/39/70/22/157397022.db2.gz VMVOVLCBCWXFET-NWDGAFQWSA-N -1 1 275.348 2.612 20 0 CFADMM CO[C@@H](CSc1nc(C)c(C)c(=O)[n-]1)C1CCC1 ZINC000657255442 413369114 /nfs/dbraw/zinc/36/91/14/413369114.db2.gz PKWUXCKHSFHTTN-NSHDSACASA-N -1 1 268.382 2.706 20 0 CFADMM O=c1cc(C2CC2)nc(SCc2cncs2)[n-]1 ZINC000657258941 413375904 /nfs/dbraw/zinc/37/59/04/413375904.db2.gz ZDSNPXIEEPIDBY-UHFFFAOYSA-N -1 1 265.363 2.808 20 0 CFADMM CCc1nc(SCc2cncs2)[n-]c(=O)c1C ZINC000657264239 413381510 /nfs/dbraw/zinc/38/15/10/413381510.db2.gz LHTJOARAZLCERU-UHFFFAOYSA-N -1 1 267.379 2.802 20 0 CFADMM CCc1nc(SCc2nc(C(C)C)no2)[n-]c(=O)c1C ZINC000657263909 413382509 /nfs/dbraw/zinc/38/25/09/413382509.db2.gz GGKIQZQLCJLMIZ-UHFFFAOYSA-N -1 1 294.380 2.852 20 0 CFADMM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000344847035 162131770 /nfs/dbraw/zinc/13/17/70/162131770.db2.gz GECAXRGPGWUIKX-LLVKDONJSA-N -1 1 291.775 2.946 20 0 CFADMM Cc1cc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)on1 ZINC000345954829 162284726 /nfs/dbraw/zinc/28/47/26/162284726.db2.gz KNMSCJOWJXVBCF-UHFFFAOYSA-N -1 1 291.254 2.790 20 0 CFADMM COCc1nc(CSc2nc(C)c(C)c(=O)[n-]2)cs1 ZINC000346725249 162500398 /nfs/dbraw/zinc/50/03/98/162500398.db2.gz RPYIOEXDBAOWMY-UHFFFAOYSA-N -1 1 297.405 2.694 20 0 CFADMM Cc1cccc(NC(=O)c2csc(=NC3CC3)[n-]2)c1 ZINC000349803444 163018170 /nfs/dbraw/zinc/01/81/70/163018170.db2.gz RMCMNOZXZKBXRX-UHFFFAOYSA-N -1 1 273.361 2.700 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)c(C)c1 ZINC000349948575 163040432 /nfs/dbraw/zinc/04/04/32/163040432.db2.gz QFNIWOJCCRTPBK-UHFFFAOYSA-N -1 1 276.361 2.808 20 0 CFADMM CCOc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000349950517 163041648 /nfs/dbraw/zinc/04/16/48/163041648.db2.gz XMCWHEQXDSMJQA-UHFFFAOYSA-N -1 1 283.374 2.948 20 0 CFADMM Cc1cc([N-]S(=O)(=O)c2ccsc2)ccc1F ZINC000349944229 163041835 /nfs/dbraw/zinc/04/18/35/163041835.db2.gz KCTFBQGCAYLSQV-UHFFFAOYSA-N -1 1 271.338 2.996 20 0 CFADMM CCc1nc(C(=O)[N-]c2nnc(C(F)F)s2)c(C)o1 ZINC000350143396 163063025 /nfs/dbraw/zinc/06/30/25/163063025.db2.gz NTQMWIPRQWWNAK-UHFFFAOYSA-N -1 1 288.279 2.587 20 0 CFADMM CC(C)[C@H]1N(C(=O)c2csc(=NC3CC3)[n-]2)CC1(C)C ZINC000350735196 163102812 /nfs/dbraw/zinc/10/28/12/163102812.db2.gz DQHNTVVAHSZMDP-GFCCVEGCSA-N -1 1 293.436 2.646 20 0 CFADMM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000350946436 163113268 /nfs/dbraw/zinc/11/32/68/163113268.db2.gz ZHZQBZKTSKTNBY-SECBINFHSA-N -1 1 289.347 2.822 20 0 CFADMM CCc1cc(=O)[n-]c(SCc2scnc2C)n1 ZINC000351654870 163167541 /nfs/dbraw/zinc/16/75/41/163167541.db2.gz GWCQWNBRGYWLPC-UHFFFAOYSA-N -1 1 267.379 2.802 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N[C@@H](C)CC3CC3)cnc2n1 ZINC000352850352 163250622 /nfs/dbraw/zinc/25/06/22/163250622.db2.gz SMWAGMVRELLUHJ-JTQLQIEISA-N -1 1 285.347 2.562 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H](C)CC1CC1)c2=O ZINC000352850352 163250624 /nfs/dbraw/zinc/25/06/24/163250624.db2.gz SMWAGMVRELLUHJ-JTQLQIEISA-N -1 1 285.347 2.562 20 0 CFADMM O=c1[n-]c(CN[C@H](Cc2ccccc2)c2ccccc2)n[nH]1 ZINC000352893921 163265206 /nfs/dbraw/zinc/26/52/06/163265206.db2.gz PZDULWCUTUMCIV-OAHLLOKOSA-N -1 1 294.358 2.584 20 0 CFADMM COCC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCC1 ZINC000284730994 196120069 /nfs/dbraw/zinc/12/00/69/196120069.db2.gz GNYHQDZBZJHDBV-UHFFFAOYSA-N -1 1 269.728 2.801 20 0 CFADMM O=C(Nc1n[nH]c2ccccc21)c1ccccc1[O-] ZINC000034079474 171830880 /nfs/dbraw/zinc/83/08/80/171830880.db2.gz CXLVEGLVHJLQKM-UHFFFAOYSA-N -1 1 253.261 2.521 20 0 CFADMM C[C@@H](C1CC1)N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000035207567 172052701 /nfs/dbraw/zinc/05/27/01/172052701.db2.gz NLEFYKFNNZKFNS-QMMMGPOBSA-N -1 1 253.729 2.916 20 0 CFADMM CC[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000035238645 172076789 /nfs/dbraw/zinc/07/67/89/172076789.db2.gz RVMYVJPUTRNBIM-ZDUSSCGKSA-N -1 1 285.343 2.796 20 0 CFADMM CN(Cc1cccs1)Cc1ccoc1C(=O)[O-] ZINC000035717858 172371933 /nfs/dbraw/zinc/37/19/33/172371933.db2.gz NYZNIJGQZUIUAS-UHFFFAOYSA-N -1 1 251.307 2.671 20 0 CFADMM CC(C)(CNC(=O)c1ccc([O-])c(F)c1)C1(O)CCCC1 ZINC000654390346 413844333 /nfs/dbraw/zinc/84/43/33/413844333.db2.gz LUGZHZZBMUYANP-UHFFFAOYSA-N -1 1 295.354 2.592 20 0 CFADMM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])cn2)s1 ZINC000652409340 413926032 /nfs/dbraw/zinc/92/60/32/413926032.db2.gz LXFKWRKQKYCBIX-UHFFFAOYSA-N -1 1 276.361 2.782 20 0 CFADMM CCC(C)(C)[C@H]1CCCN1Cc1nc(C(=O)[O-])co1 ZINC000652432456 413948955 /nfs/dbraw/zinc/94/89/55/413948955.db2.gz GEBWQDVANLMHDQ-LLVKDONJSA-N -1 1 266.341 2.773 20 0 CFADMM CC(C)(CCN1CCOc2cccc(F)c2C1)CC(=O)[O-] ZINC000652444898 413951721 /nfs/dbraw/zinc/95/17/21/413951721.db2.gz SEQHCZZEFPJCCO-UHFFFAOYSA-N -1 1 295.354 2.911 20 0 CFADMM C[C@@H](C(=O)[O-])[C@H](C)NCc1ncc(-c2cccc(F)c2)o1 ZINC000652365458 413910128 /nfs/dbraw/zinc/91/01/28/413910128.db2.gz OKGORKMDMJEBBY-ZJUUUORDSA-N -1 1 292.310 2.680 20 0 CFADMM CC1(C)OC[C@H]2C[C@]21c1nc(-c2ccc([O-])cc2F)no1 ZINC000664851039 413975303 /nfs/dbraw/zinc/97/53/03/413975303.db2.gz ZSQHYGNFDCQDRW-ANRSDYALSA-N -1 1 290.294 2.648 20 0 CFADMM C[C@@H](CN(Cc1ccn(C2CCCC2)n1)C1CC1)C(=O)[O-] ZINC000652488722 413982253 /nfs/dbraw/zinc/98/22/53/413982253.db2.gz FUVSCBASYILJHZ-LBPRGKRZSA-N -1 1 291.395 2.683 20 0 CFADMM Cc1cccc(NC[C@H](CC(=O)[O-])CC(C)C)n1 ZINC000652534523 414004890 /nfs/dbraw/zinc/00/48/90/414004890.db2.gz CFGZKMOZAAENKO-LBPRGKRZSA-N -1 1 250.342 2.939 20 0 CFADMM CC(C)O[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000652749925 414058156 /nfs/dbraw/zinc/05/81/56/414058156.db2.gz ZGUVNDMMRCRYOB-SNVBAGLBSA-N -1 1 299.317 2.700 20 0 CFADMM Cn1ccc(NC(=O)c2ccc3ccccc3c2[O-])n1 ZINC000037395865 173175796 /nfs/dbraw/zinc/17/57/96/173175796.db2.gz AUEJZDSRJJFDKS-UHFFFAOYSA-N -1 1 267.288 2.531 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H]1[C@@H]1CCCO1 ZINC000285761806 196391155 /nfs/dbraw/zinc/39/11/55/196391155.db2.gz KEIXZOBZRMUEFJ-JSGCOSHPSA-N -1 1 295.766 2.829 20 0 CFADMM O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1cc(F)ccc1[O-] ZINC000655223111 414151694 /nfs/dbraw/zinc/15/16/94/414151694.db2.gz NDJYCMWNGYIQSQ-HUUCEWRRSA-N -1 1 293.338 2.609 20 0 CFADMM Cc1cnc(CCNC(=O)c2ccc([O-])cc2F)c(C)c1 ZINC000655249266 414160088 /nfs/dbraw/zinc/16/00/88/414160088.db2.gz LSFCTFRZIGGGPV-UHFFFAOYSA-N -1 1 288.322 2.516 20 0 CFADMM CSc1cccnc1[N-]C(=O)c1c(C)noc1C ZINC000652875641 414103557 /nfs/dbraw/zinc/10/35/57/414103557.db2.gz RDPMGPOAGSKODZ-UHFFFAOYSA-N -1 1 263.322 2.661 20 0 CFADMM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000655268091 414164902 /nfs/dbraw/zinc/16/49/02/414164902.db2.gz MMNDBDSIGWQBII-JSGCOSHPSA-N -1 1 251.301 2.696 20 0 CFADMM C[C@H](NC(=O)c1ncccc1[O-])C1CCC(F)(F)CC1 ZINC000655341835 414204057 /nfs/dbraw/zinc/20/40/57/414204057.db2.gz VJFBUWJKVQLFGQ-VIFPVBQESA-N -1 1 284.306 2.731 20 0 CFADMM CC[C@H](NC(=O)c1c([O-])cccc1F)[C@H]1CCCCO1 ZINC000655352196 414208497 /nfs/dbraw/zinc/20/84/97/414208497.db2.gz ZYAFSLCYRZIPPX-WCQYABFASA-N -1 1 281.327 2.609 20 0 CFADMM CC[C@@H](NC(=O)c1ccc([O-])c(F)c1)[C@H]1CCCCO1 ZINC000655350079 414209652 /nfs/dbraw/zinc/20/96/52/414209652.db2.gz RXAVICBOHLBLBQ-TZMCWYRMSA-N -1 1 281.327 2.609 20 0 CFADMM Cc1ccc(CN2CCc3cccc(C(=O)[O-])c3C2)cn1 ZINC000656191325 414528609 /nfs/dbraw/zinc/52/86/09/414528609.db2.gz RSEBIDJEAJTGFD-UHFFFAOYSA-N -1 1 282.343 2.647 20 0 CFADMM C[C@H]1CN(Cc2occc2C(=O)[O-])CC2(CCCCC2)O1 ZINC000656192510 414530542 /nfs/dbraw/zinc/53/05/42/414530542.db2.gz YNUWRMAODLJYIC-LBPRGKRZSA-N -1 1 293.363 2.901 20 0 CFADMM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CC[C@H]2C[C@H]2C1 ZINC000659799370 414559654 /nfs/dbraw/zinc/55/96/54/414559654.db2.gz BPMSJHBYNQIZEU-RVBZMBCESA-N -1 1 283.730 2.947 20 0 CFADMM O=C([O-])c1cc(CN2CCC(c3ccon3)CC2)cs1 ZINC000659802640 414560512 /nfs/dbraw/zinc/56/05/12/414560512.db2.gz SCRUSARUOGVIKO-UHFFFAOYSA-N -1 1 292.360 2.814 20 0 CFADMM CN(Cc1sccc1Cl)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801667 414560550 /nfs/dbraw/zinc/56/05/50/414560550.db2.gz JSEZSZYTWWKICV-OCAPTIKFSA-N -1 1 259.758 2.697 20 0 CFADMM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000659801815 414561653 /nfs/dbraw/zinc/56/16/53/414561653.db2.gz KMZOIMOTYFNBIB-SJORKVTESA-N -1 1 297.354 2.966 20 0 CFADMM CCN(CCC(=O)[O-])Cc1coc(-c2ccccc2)n1 ZINC000038025188 174008666 /nfs/dbraw/zinc/00/86/66/174008666.db2.gz HFNQIGQPWBVVHU-UHFFFAOYSA-N -1 1 274.320 2.638 20 0 CFADMM O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000038026215 174011751 /nfs/dbraw/zinc/01/17/51/174011751.db2.gz XVNGXMFSJMPKJO-SNVBAGLBSA-N -1 1 297.738 2.515 20 0 CFADMM Cc1nccc(N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1Cl ZINC000662895195 414630977 /nfs/dbraw/zinc/63/09/77/414630977.db2.gz ZGUWIKMAEABISZ-SCZZXKLOSA-N -1 1 268.744 2.733 20 0 CFADMM CC(C)(C)C(F)(F)C[N-]S(=O)(=O)CCC1CCC1 ZINC000660108373 414663225 /nfs/dbraw/zinc/66/32/25/414663225.db2.gz SNDGSXHKRRXHRJ-UHFFFAOYSA-N -1 1 283.384 2.777 20 0 CFADMM Cc1nc2ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc2[nH]1 ZINC000663084218 414651693 /nfs/dbraw/zinc/65/16/93/414651693.db2.gz HSCQSYPHMODEKB-LBPRGKRZSA-N -1 1 289.335 2.557 20 0 CFADMM O=C([O-])CC[C@@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000043585889 175071942 /nfs/dbraw/zinc/07/19/42/175071942.db2.gz DFCLEVJYTQCSRD-LBPRGKRZSA-N -1 1 288.347 2.905 20 0 CFADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CC(C)(C)O1 ZINC000044479281 175179077 /nfs/dbraw/zinc/17/90/77/175179077.db2.gz KIHDWYJCWSLSKT-VIFPVBQESA-N -1 1 283.755 2.685 20 0 CFADMM COc1cccc(C(=O)Nc2c([O-])cccc2F)c1OC ZINC000078807092 177391205 /nfs/dbraw/zinc/39/12/05/177391205.db2.gz KFYUBTIMDYIJRL-UHFFFAOYSA-N -1 1 291.278 2.801 20 0 CFADMM C[C@H](C1CC1)n1nccc1NC(=O)c1ccc(O)cc1[O-] ZINC000193124802 228061651 /nfs/dbraw/zinc/06/16/51/228061651.db2.gz KFHGAYASYUBXIC-SECBINFHSA-N -1 1 287.319 2.518 20 0 CFADMM C[C@H](CC(=O)Nc1ccc([O-])c(Cl)c1)c1cnn(C)c1 ZINC000413651012 533683086 /nfs/dbraw/zinc/68/30/86/533683086.db2.gz HCZIMAHHXREBMH-SECBINFHSA-N -1 1 293.754 2.911 20 0 CFADMM O=C(Nc1nc2ccccc2s1)c1ccc(O)cc1[O-] ZINC000219968172 260080179 /nfs/dbraw/zinc/08/01/79/260080179.db2.gz FEKXNUQRXYJHGN-UHFFFAOYSA-N -1 1 286.312 2.960 20 0 CFADMM C[C@]1(c2ccccc2)CN(CCCCCC(=O)[O-])CCO1 ZINC000517750496 260107581 /nfs/dbraw/zinc/10/75/81/260107581.db2.gz MBYXMNFRNMKUMU-QGZVFWFLSA-N -1 1 291.391 2.879 20 0 CFADMM O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1c([O-])cccc1F ZINC000185264117 262304234 /nfs/dbraw/zinc/30/42/34/262304234.db2.gz ZSHIFVMYFJVQLE-ISTRZQFTSA-N -1 1 297.329 2.990 20 0 CFADMM O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1c([O-])cccc1F ZINC000185264096 262304712 /nfs/dbraw/zinc/30/47/12/262304712.db2.gz ZSHIFVMYFJVQLE-XGWLTEMNSA-N -1 1 297.329 2.990 20 0 CFADMM CC1(C)C[C@H]1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000226260194 270256618 /nfs/dbraw/zinc/25/66/18/270256618.db2.gz PZWKLZVNGLLKPX-QMMMGPOBSA-N -1 1 253.729 2.822 20 0 CFADMM C[C@@H]1CC[C@@H](CNC(=O)c2c([O-])cccc2F)C1 ZINC000230428807 270259835 /nfs/dbraw/zinc/25/98/35/270259835.db2.gz HMVGMELHZURYIF-NXEZZACHSA-N -1 1 251.301 2.697 20 0 CFADMM C[C@H]1CCC[C@H]1CNC(=O)c1c([O-])cccc1F ZINC000230688079 270259931 /nfs/dbraw/zinc/25/99/31/270259931.db2.gz FTXZPPMPZIBGDV-UWVGGRQHSA-N -1 1 251.301 2.697 20 0 CFADMM C[C@@H]1CC[C@H](CNC(=O)c2c([O-])cccc2F)C1 ZINC000230428813 270260040 /nfs/dbraw/zinc/26/00/40/270260040.db2.gz HMVGMELHZURYIF-ZJUUUORDSA-N -1 1 251.301 2.697 20 0 CFADMM [O-]c1ccc(-c2noc(Cc3ccc(O)cc3)n2)cc1F ZINC000236599990 270262003 /nfs/dbraw/zinc/26/20/03/270262003.db2.gz SKOLGTDWABJNTM-UHFFFAOYSA-N -1 1 286.262 2.878 20 0 CFADMM CCC1(NC(=O)c2c([O-])cccc2F)CCCC1 ZINC000394658835 270309248 /nfs/dbraw/zinc/30/92/48/270309248.db2.gz JOJCOEHSKWWMMU-UHFFFAOYSA-N -1 1 251.301 2.984 20 0 CFADMM C[C@@]1(CNC(=O)c2ccc3ccccc3c2[O-])CCOC1 ZINC000397155723 270315653 /nfs/dbraw/zinc/31/56/53/270315653.db2.gz NTZYLLWBEMDBHC-KRWDZBQOSA-N -1 1 285.343 2.702 20 0 CFADMM C[C@@H]1CSC[C@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000397929046 270320535 /nfs/dbraw/zinc/32/05/35/270320535.db2.gz LLGGHFHWWOZLQU-GMSGAONNSA-N -1 1 271.769 2.527 20 0 CFADMM CC(C)n1cc2ccc(NC(=O)c3cncc([O-])c3)cc2n1 ZINC000488217784 270342834 /nfs/dbraw/zinc/34/28/34/270342834.db2.gz ZOCMJPNGHWXLSB-UHFFFAOYSA-N -1 1 296.330 2.970 20 0 CFADMM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000516845060 270388539 /nfs/dbraw/zinc/38/85/39/270388539.db2.gz ANBMBCGMCOUVKQ-HTQZYQBOSA-N -1 1 290.289 2.978 20 0 CFADMM CC[C@@H]1CCCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000075801967 276548067 /nfs/dbraw/zinc/54/80/67/276548067.db2.gz OUCXWLTZVZCSNK-DGCLKSJQSA-N -1 1 299.374 2.622 20 0 CFADMM CC(C)(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000280408793 277230638 /nfs/dbraw/zinc/23/06/38/277230638.db2.gz FPNUGCGVFVYRJX-LLVKDONJSA-N -1 1 262.353 2.686 20 0 CFADMM CC(C)C[C@H]1COCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000113848205 277502120 /nfs/dbraw/zinc/50/21/20/277502120.db2.gz AJIHQQMKTYIHTJ-LBPRGKRZSA-N -1 1 297.782 2.933 20 0 CFADMM CC1(C)CN(C(=O)c2ccc([O-])cc2F)[C@H]1[C@@H]1CCCO1 ZINC000291303087 278322946 /nfs/dbraw/zinc/32/29/46/278322946.db2.gz SOGRBZOTDRLUNA-KBPBESRZSA-N -1 1 293.338 2.561 20 0 CFADMM Cc1cnc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000336524018 279007966 /nfs/dbraw/zinc/00/79/66/279007966.db2.gz MTDOXCVMPHFENB-SECBINFHSA-N -1 1 288.269 2.510 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000335778463 279008494 /nfs/dbraw/zinc/00/84/94/279008494.db2.gz CTKBFHQHLWCSIG-IUCAKERBSA-N -1 1 288.269 2.509 20 0 CFADMM CC(C)[C@@H]1C[C@H](N=c2nc(C(F)(F)F)[n-]s2)CCO1 ZINC000342937636 280029929 /nfs/dbraw/zinc/02/99/29/280029929.db2.gz WNCIBLZHIMGDNO-SFYZADRCSA-N -1 1 295.330 2.594 20 0 CFADMM CC[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000128606983 280245596 /nfs/dbraw/zinc/24/55/96/280245596.db2.gz ZRQIZKMMRRXOPX-LLVKDONJSA-N -1 1 251.301 2.936 20 0 CFADMM Cc1cc(C(=O)[N-]c2cc(-c3ccccc3)on2)on1 ZINC000173069945 280365964 /nfs/dbraw/zinc/36/59/64/280365964.db2.gz WLQBNUQBVHXXRK-UHFFFAOYSA-N -1 1 269.260 2.890 20 0 CFADMM CC(C)c1ccc(C(=O)Nc2nncs2)c([O-])c1 ZINC000048546554 280431350 /nfs/dbraw/zinc/43/13/50/280431350.db2.gz RJKACEBAMHQTNJ-UHFFFAOYSA-N -1 1 263.322 2.619 20 0 CFADMM Cc1nccc(CNC(=O)c2ccc3ccccc3c2[O-])n1 ZINC000079159321 280533517 /nfs/dbraw/zinc/53/35/17/280533517.db2.gz DXJSTKLXVXKCMB-UHFFFAOYSA-N -1 1 293.326 2.574 20 0 CFADMM Cc1csc(NC(=O)c2cc(F)ccc2[O-])n1 ZINC000081933273 280546383 /nfs/dbraw/zinc/54/63/83/280546383.db2.gz ZBKPDKCTECSEEH-UHFFFAOYSA-N -1 1 252.270 2.549 20 0 CFADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1cnn(C)c1 ZINC000119267085 280607116 /nfs/dbraw/zinc/60/71/16/280607116.db2.gz WUIVGSWQTGTJTA-LLVKDONJSA-N -1 1 295.342 2.770 20 0 CFADMM CCCc1csc(NC(=O)c2ccc(O)cc2[O-])n1 ZINC000120006666 280611802 /nfs/dbraw/zinc/61/18/02/280611802.db2.gz RELVQZZAEPOVHG-UHFFFAOYSA-N -1 1 278.333 2.759 20 0 CFADMM CC(C)OC(=O)CCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000120296488 280613661 /nfs/dbraw/zinc/61/36/61/280613661.db2.gz GHRFDMRPULXCGE-UHFFFAOYSA-N -1 1 299.754 2.507 20 0 CFADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2)c(C)c1 ZINC000121288876 280621356 /nfs/dbraw/zinc/62/13/56/280621356.db2.gz FSJZOMPOADMMGB-UHFFFAOYSA-N -1 1 292.360 2.508 20 0 CFADMM C[C@H](NC(=O)c1cncc([O-])c1)C(C)(C)c1ccccc1 ZINC000133824652 280749785 /nfs/dbraw/zinc/74/97/85/280749785.db2.gz SAJNNXMFCKQQML-LBPRGKRZSA-N -1 1 284.359 2.883 20 0 CFADMM CC[C@@H](C)[C@@H](O)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000134278582 280755446 /nfs/dbraw/zinc/75/54/46/280755446.db2.gz LGIDKLBRPFVOAI-BZNIZROVSA-N -1 1 287.359 2.682 20 0 CFADMM Cc1cccc(CNC(=O)c2cc(F)ccc2[O-])c1 ZINC000149016797 280793440 /nfs/dbraw/zinc/79/34/40/280793440.db2.gz KXXLPEORKAQSQV-UHFFFAOYSA-N -1 1 259.280 2.770 20 0 CFADMM O=C(CCOCC(F)(F)F)Nc1ccc([O-])c(Cl)c1 ZINC000227929894 280936095 /nfs/dbraw/zinc/93/60/95/280936095.db2.gz PCMAAOCCBADFMG-UHFFFAOYSA-N -1 1 297.660 2.953 20 0 CFADMM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000427251792 281034502 /nfs/dbraw/zinc/03/45/02/281034502.db2.gz UHPWXSULFSZLLW-NSHDSACASA-N -1 1 289.347 2.822 20 0 CFADMM CC[C@H]1CCCC[C@@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000280660418 281061411 /nfs/dbraw/zinc/06/14/11/281061411.db2.gz SWROPKKOLFBQOB-YUMQZZPRSA-N -1 1 290.289 2.978 20 0 CFADMM O=S(=O)([N-]C[C@H]1CC12CC2)c1cc2ccccc2o1 ZINC000334888165 281157412 /nfs/dbraw/zinc/15/74/12/281157412.db2.gz FEQXGJOGOYBHDM-LLVKDONJSA-N -1 1 277.345 2.511 20 0 CFADMM CC[C@H](NC(=O)c1ccc2ccccc2c1[O-])C(C)(C)O ZINC000394010579 281193556 /nfs/dbraw/zinc/19/35/56/281193556.db2.gz ZEOSKKXZCVCHEI-AWEZNQCLSA-N -1 1 287.359 2.825 20 0 CFADMM CC1(C)CN(C(=O)c2c(F)ccc([O-])c2F)CCS1 ZINC000280905979 281217424 /nfs/dbraw/zinc/21/74/24/281217424.db2.gz FHVSXFZDEYNJJO-UHFFFAOYSA-N -1 1 287.331 2.638 20 0 CFADMM Cc1ccc(O)c(C(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000538789118 281561141 /nfs/dbraw/zinc/56/11/41/281561141.db2.gz DYKVSFXCJPJVJK-UHFFFAOYSA-N -1 1 291.376 2.524 20 0 CFADMM CCO[C@H](C)c1nccn1CC(=O)c1ccc([O-])cc1 ZINC000547315629 281732294 /nfs/dbraw/zinc/73/22/94/281732294.db2.gz VXZFGNJNMBTUSE-LLVKDONJSA-N -1 1 274.320 2.569 20 0 CFADMM Cc1cnc(C(=O)N[C@H](C)Cc2ccsc2)c([O-])c1 ZINC000548630916 281793321 /nfs/dbraw/zinc/79/33/21/281793321.db2.gz KWKIMZZAPJOXFF-SNVBAGLBSA-N -1 1 276.361 2.518 20 0 CFADMM CCCc1nc(C(=O)[N-]c2nnc(C3CC3)s2)co1 ZINC000548938213 281808470 /nfs/dbraw/zinc/80/84/70/281808470.db2.gz GSJIKXSJZMTZQC-UHFFFAOYSA-N -1 1 278.337 2.608 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(C)c(C)o2)c1 ZINC000558642166 281988126 /nfs/dbraw/zinc/98/81/26/281988126.db2.gz FLELVOBKODAGHO-UHFFFAOYSA-N -1 1 289.287 2.641 20 0 CFADMM C[C@@H](CC(F)(F)F)NC(=O)c1c(F)ccc([O-])c1F ZINC000561987063 282064477 /nfs/dbraw/zinc/06/44/77/282064477.db2.gz PIRZMVIGPBYLDK-YFKPBYRVSA-N -1 1 283.196 2.741 20 0 CFADMM O=C([O-])[C@@H]1CC12CCN(Cc1cc(F)cc(F)c1)CC2 ZINC000405432209 290029865 /nfs/dbraw/zinc/02/98/65/290029865.db2.gz KVPRNCLBFDWEFJ-ZDUSSCGKSA-N -1 1 281.302 2.652 20 0 CFADMM CCc1nocc1CSc1nc(CC)c(C)c(=O)[n-]1 ZINC000563440565 290151540 /nfs/dbraw/zinc/15/15/40/290151540.db2.gz STXRJWQBVHVLTL-UHFFFAOYSA-N -1 1 279.365 2.896 20 0 CFADMM C[C@@H](CC(=O)[O-])N(C)Cc1coc(-c2cccc(F)c2)n1 ZINC000563453135 290153603 /nfs/dbraw/zinc/15/36/03/290153603.db2.gz GKFBUJUDNIURGQ-JTQLQIEISA-N -1 1 292.310 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ZINC000118685507 322320303 /nfs/dbraw/zinc/32/03/03/322320303.db2.gz FGNLNXSTZNSNAN-MDZDMXLPSA-N -1 1 291.314 2.519 20 0 CFADMM O=C(NCc1cccs1)c1c([O-])cccc1F ZINC000163610577 322377452 /nfs/dbraw/zinc/37/74/52/322377452.db2.gz VPKAURYWPQRNOM-UHFFFAOYSA-N -1 1 251.282 2.523 20 0 CFADMM CCc1nc(SCc2nnc(C3CC3)o2)[n-]c(=O)c1C ZINC000570826955 322554198 /nfs/dbraw/zinc/55/41/98/322554198.db2.gz IPMKAMFEABDMFS-UHFFFAOYSA-N -1 1 292.364 2.606 20 0 CFADMM COc1cc(C(=O)[N-]c2nc(CC(C)(C)C)cs2)on1 ZINC000153915712 323628067 /nfs/dbraw/zinc/62/80/67/323628067.db2.gz SKPBIFFNMLHXQJ-UHFFFAOYSA-N -1 1 295.364 2.981 20 0 CFADMM CCCCO[C@@H]1C[C@H](NC(=O)c2cncc([O-])c2)C1(C)C ZINC000174927589 323657883 /nfs/dbraw/zinc/65/78/83/323657883.db2.gz IGXOLURUXKKYIK-UONOGXRCSA-N -1 1 292.379 2.501 20 0 CFADMM Cc1ccc(CS(=O)(=O)[N-]c2ccc(F)cn2)cc1F ZINC000184194944 323937968 /nfs/dbraw/zinc/93/79/68/323937968.db2.gz RBAPIQKOUALHBY-UHFFFAOYSA-N -1 1 298.314 2.610 20 0 CFADMM CCN(C(=O)c1cccc2nn[nH]c21)[C@@H](C)c1cccnc1 ZINC000188020488 324005942 /nfs/dbraw/zinc/00/59/42/324005942.db2.gz ULBRKAXBALZCMG-NSHDSACASA-N -1 1 295.346 2.576 20 0 CFADMM Cc1n[nH]c(C)c1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000188497680 324015924 /nfs/dbraw/zinc/01/59/24/324015924.db2.gz FEWZQQPCLBWTNU-UHFFFAOYSA-N -1 1 279.727 2.567 20 0 CFADMM O=C(c1ccc(O)cc1[O-])N1CCCc2cc(F)ccc21 ZINC000193299380 324071015 /nfs/dbraw/zinc/07/10/15/324071015.db2.gz VIRNQTUQCWCOAV-UHFFFAOYSA-N -1 1 287.290 2.830 20 0 CFADMM Cc1ccc2nc(-c3ccc(C)nc3)[n-]c(=O)c2c1 ZINC000193545517 324074005 /nfs/dbraw/zinc/07/40/05/324074005.db2.gz LMESDFHCTWRCRE-UHFFFAOYSA-N -1 1 251.289 2.602 20 0 CFADMM O=C(c1ccc(O)cc1[O-])N1CCc2ccc(Cl)cc21 ZINC000194840253 324096610 /nfs/dbraw/zinc/09/66/10/324096610.db2.gz MYNYOYOKAJGTFJ-UHFFFAOYSA-N -1 1 289.718 2.954 20 0 CFADMM [O-]c1ccc(-c2noc(-c3ccncn3)n2)c(Cl)c1 ZINC000350565719 324231848 /nfs/dbraw/zinc/23/18/48/324231848.db2.gz ALLUKBAJIBZWHH-UHFFFAOYSA-N -1 1 274.667 2.553 20 0 CFADMM [O-]c1ccc(-c2noc(CCc3cncs3)n2)cc1F ZINC000350567490 324232660 /nfs/dbraw/zinc/23/26/60/324232660.db2.gz QWVPNKKPCRGURN-UHFFFAOYSA-N -1 1 291.307 2.823 20 0 CFADMM Cc1ncccc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000350568227 324232897 /nfs/dbraw/zinc/23/28/97/324232897.db2.gz JVGNGXJLOPFCNK-UHFFFAOYSA-N -1 1 271.251 2.952 20 0 CFADMM C[C@H]1COCC[C@@H]1c1noc(-c2ccc([O-])cc2F)n1 ZINC000350613368 324246794 /nfs/dbraw/zinc/24/67/94/324246794.db2.gz WSDPNHOVJIDJKL-WPRPVWTQSA-N -1 1 278.283 2.721 20 0 CFADMM [O-]c1ccc(-c2noc(Cc3ncccc3F)n2)c(F)c1 ZINC000350614765 324247687 /nfs/dbraw/zinc/24/76/87/324247687.db2.gz XMSSOHOECKBFJE-UHFFFAOYSA-N -1 1 289.241 2.706 20 0 CFADMM [O-]c1ccc(-c2noc(/C=C/c3cnccn3)n2)c(F)c1 ZINC000350818141 324262677 /nfs/dbraw/zinc/26/26/77/324262677.db2.gz JQBUJORMNLTLGD-DAFODLJHSA-N -1 1 284.250 2.542 20 0 CFADMM [O-]c1ccc(-c2noc(COc3cccnc3)n2)cc1F ZINC000350825424 324264112 /nfs/dbraw/zinc/26/41/12/324264112.db2.gz UCKIALCQISIREK-UHFFFAOYSA-N -1 1 287.250 2.555 20 0 CFADMM [O-]c1ccc(-c2noc(-c3cncc(F)c3)n2)cc1F ZINC000350825431 324264321 /nfs/dbraw/zinc/26/43/21/324264321.db2.gz UECSJCHJDAJCRU-UHFFFAOYSA-N -1 1 275.214 2.782 20 0 CFADMM CCCn1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)cn1 ZINC000350829680 324265132 /nfs/dbraw/zinc/26/51/32/324265132.db2.gz AWFDACDBSYIDKI-UHFFFAOYSA-N -1 1 288.282 2.855 20 0 CFADMM Cc1cc(=O)[nH]cc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350830049 324265214 /nfs/dbraw/zinc/26/52/14/324265214.db2.gz BSXBFPBDNKDYBI-UHFFFAOYSA-N -1 1 287.250 2.657 20 0 CFADMM Cc1noc(C)c1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350829835 324265234 /nfs/dbraw/zinc/26/52/34/324265234.db2.gz DTVPEXDUHTWZKC-UHFFFAOYSA-N -1 1 289.266 2.777 20 0 CFADMM O=C1CC[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000351377184 324393016 /nfs/dbraw/zinc/39/30/16/324393016.db2.gz VJEXMNKXXHSJTJ-SSDOTTSWSA-N -1 1 278.695 2.932 20 0 CFADMM CC1(C)CC[C@H]1NC(=O)c1cc(Cl)ccc1[O-] ZINC000379741688 324404859 /nfs/dbraw/zinc/40/48/59/324404859.db2.gz LXXAULQYEWUZOX-LLVKDONJSA-N -1 1 253.729 2.964 20 0 CFADMM O=C(NC[C@H]1CCCSC1)c1ccc(Cl)cc1[O-] ZINC000384106113 324442431 /nfs/dbraw/zinc/44/24/31/324442431.db2.gz GCBVICUYRQANHQ-SECBINFHSA-N -1 1 285.796 2.919 20 0 CFADMM CCC1(NC(=O)c2ccc(Cl)cc2[O-])CCOCC1 ZINC000389349860 324517741 /nfs/dbraw/zinc/51/77/41/324517741.db2.gz VBEADBUIBOULPC-UHFFFAOYSA-N -1 1 283.755 2.735 20 0 CFADMM CCc1noc([C@H](C)Sc2nc(CC)c(C)c(=O)[n-]2)n1 ZINC000580330338 325027342 /nfs/dbraw/zinc/02/73/42/325027342.db2.gz GVDAPNLOFYLFFE-QMMMGPOBSA-N -1 1 294.380 2.852 20 0 CFADMM CCC[C@@H](N=c1[n-]c(C(=O)O)co1)c1ccccc1 ZINC000581372306 325115105 /nfs/dbraw/zinc/11/51/05/325115105.db2.gz AIPURYMONYNSRB-LLVKDONJSA-N -1 1 260.293 2.748 20 0 CFADMM Cc1cnc(SCCCC(=O)OC(C)(C)C)[n-]c1=O ZINC000582312049 325195029 /nfs/dbraw/zinc/19/50/29/325195029.db2.gz HZLUDAMTKURMHN-UHFFFAOYSA-N -1 1 284.381 2.705 20 0 CFADMM CC(C)[C@H]1CN(Cc2cc(C(=O)[O-])co2)CCS1 ZINC000582729797 325229617 /nfs/dbraw/zinc/22/96/17/325229617.db2.gz HIDDUKLCIYSHBO-GFCCVEGCSA-N -1 1 269.366 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ZINC000733869547 574259456 /nfs/dbraw/zinc/25/94/56/574259456.db2.gz XJLRXYLTYSGZMV-UHFFFAOYSA-N -1 1 296.417 2.611 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)C=C2CCC2)c1 ZINC000756727611 574259730 /nfs/dbraw/zinc/25/97/30/574259730.db2.gz XTLPOVDPCDGYBG-UHFFFAOYSA-N -1 1 274.316 2.791 20 0 CFADMM CCCCO[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)C1(C)C ZINC000748744462 574264557 /nfs/dbraw/zinc/26/45/57/574264557.db2.gz OJSCWDOFUJBWAH-DTWKUNHWSA-N -1 1 267.291 2.649 20 0 CFADMM CC[C@H](NC(=O)c1c([O-])cccc1Cl)[C@H]1CCCO1 ZINC000756810386 574264695 /nfs/dbraw/zinc/26/46/95/574264695.db2.gz XMYBLQIRVDJOME-CMPLNLGQSA-N -1 1 283.755 2.733 20 0 CFADMM CC(C)n1cc([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)cn1 ZINC000749391434 574292675 /nfs/dbraw/zinc/29/26/75/574292675.db2.gz UNDGSOSLFDSOFA-SSDOTTSWSA-N -1 1 281.253 2.542 20 0 CFADMM C[C@H](CNC(=O)c1c([O-])cccc1Cl)c1ccncc1 ZINC000749544749 574299670 /nfs/dbraw/zinc/29/96/70/574299670.db2.gz JDTLNDQHMHKYFW-SNVBAGLBSA-N -1 1 290.750 2.974 20 0 CFADMM O=C([N-]c1nc(C2CC2)no1)c1coc(Br)c1 ZINC000734879683 574306018 /nfs/dbraw/zinc/30/60/18/574306018.db2.gz RWAIRIXSNVACBR-UHFFFAOYSA-N -1 1 298.096 2.555 20 0 CFADMM CC(C)C[C@H](CNC(=O)[O-])NCc1ccc(Cl)o1 ZINC000738806180 574330287 /nfs/dbraw/zinc/33/02/87/574330287.db2.gz DARWQCAMRYCVSX-SECBINFHSA-N -1 1 274.748 2.705 20 0 CFADMM C[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000736276515 574359697 /nfs/dbraw/zinc/35/96/97/574359697.db2.gz ILQFGQCIMJEBLP-NSHDSACASA-N -1 1 294.362 2.651 20 0 CFADMM C[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000736276515 574359699 /nfs/dbraw/zinc/35/96/99/574359699.db2.gz ILQFGQCIMJEBLP-NSHDSACASA-N -1 1 294.362 2.651 20 0 CFADMM CC(C)[C@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)N(C)C ZINC000736348216 574363985 /nfs/dbraw/zinc/36/39/85/574363985.db2.gz SWRIOPCNYOUGSG-GFCCVEGCSA-N -1 1 298.770 2.563 20 0 CFADMM CC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(C)C ZINC000736368593 574365505 /nfs/dbraw/zinc/36/55/05/574365505.db2.gz HJADECKFJNBBHH-SECBINFHSA-N -1 1 280.763 2.762 20 0 CFADMM CC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(C)C ZINC000736368593 574365506 /nfs/dbraw/zinc/36/55/06/574365506.db2.gz HJADECKFJNBBHH-SECBINFHSA-N -1 1 280.763 2.762 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2C[C@H]2C2CC2)c1 ZINC000751748723 574382204 /nfs/dbraw/zinc/38/22/04/574382204.db2.gz RQHWLSKQKQPYBV-LSDHHAIUSA-N -1 1 288.343 2.727 20 0 CFADMM O=C(CCc1ccc(F)cc1F)[N-]OCC(F)(F)F ZINC000752129416 574388318 /nfs/dbraw/zinc/38/83/18/574388318.db2.gz LMYJJLZFDCIDQB-UHFFFAOYSA-N -1 1 283.196 2.508 20 0 CFADMM CCC1(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)CCC1 ZINC000752782934 574395231 /nfs/dbraw/zinc/39/52/31/574395231.db2.gz HVJNENCSHGPEGQ-UHFFFAOYSA-N -1 1 291.395 2.924 20 0 CFADMM C[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)[C@H]1C ZINC000752820721 574395596 /nfs/dbraw/zinc/39/55/96/574395596.db2.gz OQNLXBUVLZKSMH-BDAKNGLRSA-N -1 1 253.729 2.916 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C)cn2)c1 ZINC000753481407 574402962 /nfs/dbraw/zinc/40/29/62/574402962.db2.gz KWVDISDBDRLMRV-UHFFFAOYSA-N -1 1 299.326 2.698 20 0 CFADMM c1cc(N[C@@H]2C[C@H]2C2CCCCC2)nc(-c2nnn[n-]2)c1 ZINC000823757081 599042534 /nfs/dbraw/zinc/04/25/34/599042534.db2.gz LUFXBCAUHFWEFI-WCQYABFASA-N -1 1 284.367 2.642 20 0 CFADMM c1cc(N[C@@H]2C[C@H]2C2CCCCC2)nc(-c2nn[n-]n2)c1 ZINC000823757081 599042537 /nfs/dbraw/zinc/04/25/37/599042537.db2.gz LUFXBCAUHFWEFI-WCQYABFASA-N -1 1 284.367 2.642 20 0 CFADMM CN(C)Cc1ccc(NC2CCC(C(=O)[O-])CC2)cc1F ZINC000820543469 598111222 /nfs/dbraw/zinc/11/12/22/598111222.db2.gz GFBDVHJEVRIDFP-UHFFFAOYSA-N -1 1 294.370 2.943 20 0 CFADMM O=C([O-])C[C@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000821516096 598195737 /nfs/dbraw/zinc/19/57/37/598195737.db2.gz RJTWHNPQJDKCTL-LLVKDONJSA-N -1 1 294.420 2.709 20 0 CFADMM CC(C)[C@@H](N[C@H](C)c1nc2c(s1)CCCC2)C(=O)[O-] ZINC000820149533 598197451 /nfs/dbraw/zinc/19/74/51/598197451.db2.gz YRODSNWXZQOQSC-BXKDBHETSA-N -1 1 282.409 2.782 20 0 CFADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N[C@H]1CC=CCC1 ZINC000819718649 599563337 /nfs/dbraw/zinc/56/33/37/599563337.db2.gz MFJNWJKYGFMBMN-NSHDSACASA-N -1 1 292.346 2.936 20 0 CFADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N[C@H]1CC=CCC1 ZINC000819718649 599563339 /nfs/dbraw/zinc/56/33/39/599563339.db2.gz MFJNWJKYGFMBMN-NSHDSACASA-N -1 1 292.346 2.936 20 0 CFADMM CN(Cc1ccoc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000071264998 600088093 /nfs/dbraw/zinc/08/80/93/600088093.db2.gz IVHKSBLORAUHKJ-UHFFFAOYSA-N -1 1 263.268 2.749 20 0 CFADMM O=C([O-])[C@H]1CC12CCN(Cc1cc(F)ccc1F)CC2 ZINC000405457706 600290406 /nfs/dbraw/zinc/29/04/06/600290406.db2.gz ZCCJWWVHNMLNCM-GFCCVEGCSA-N -1 1 281.302 2.652 20 0 CFADMM O=C([O-])[C@@H]1CCCN1Cc1cnc(-c2ccccc2)s1 ZINC000262191828 600438804 /nfs/dbraw/zinc/43/88/04/600438804.db2.gz YTQCEPVRNZGZEA-ZDUSSCGKSA-N -1 1 288.372 2.859 20 0 CFADMM O=C([O-])c1ccc(CNCc2ccc3ncccc3c2)o1 ZINC000740132845 600525106 /nfs/dbraw/zinc/52/51/06/600525106.db2.gz LOSCOIAEGOQRNV-UHFFFAOYSA-N -1 1 282.299 2.816 20 0 CFADMM C/C(=C\CN1CCC[C@H]1c1nc(C)cs1)C(=O)[O-] ZINC000825741802 601161036 /nfs/dbraw/zinc/16/10/36/601161036.db2.gz SMRMWIYIEFRFTD-NKLKJHRZSA-N -1 1 266.366 2.619 20 0 CFADMM C/C(=C/CN1C[C@H](c2ccccc2)OCC1(C)C)C(=O)[O-] ZINC000825736060 601162244 /nfs/dbraw/zinc/16/22/44/601162244.db2.gz UVOKCLSFLLSHQS-UZGISAJGSA-N -1 1 289.375 2.869 20 0 CFADMM C/C(=C\CN1CCc2cc(F)ccc2[C@H]1C)C(=O)[O-] ZINC000825746110 601169935 /nfs/dbraw/zinc/16/99/35/601169935.db2.gz FINRCCSLKZPRRH-IGLBNKAOSA-N -1 1 263.312 2.776 20 0 CFADMM C/C(=C/CNC1(c2nccs2)CCCC1)C(=O)[O-] ZINC000825745649 601321158 /nfs/dbraw/zinc/32/11/58/601321158.db2.gz BTYIORLSNLIYRV-WMZJFQQLSA-N -1 1 266.366 2.533 20 0 CFADMM C[C@H]1CN(Cc2coc(-c3cccs3)n2)C[C@@H]1C(=O)[O-] ZINC000111254988 601537133 /nfs/dbraw/zinc/53/71/33/601537133.db2.gz MCXISRAHPDSUAV-ONGXEEELSA-N -1 1 292.360 2.556 20 0 CFADMM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@H](C)[C@H]2C)c(C)c1C(=O)[O-] ZINC000832843675 601567135 /nfs/dbraw/zinc/56/71/35/601567135.db2.gz ZJKHWDWSGMHVFI-AXTRIDKLSA-N -1 1 292.379 2.631 20 0 CFADMM CN(Cc1cccc(O)c1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000830851581 601642224 /nfs/dbraw/zinc/64/22/24/601642224.db2.gz FKKBZROOQWQIHC-UHFFFAOYSA-N -1 1 289.306 2.862 20 0 CFADMM O=C([O-])c1sccc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000833348627 601827101 /nfs/dbraw/zinc/82/71/01/601827101.db2.gz NVCCFJVROOQBKM-LBPRGKRZSA-N -1 1 291.376 2.897 20 0 CFADMM O=C([O-])c1ccc(NC(=O)c2cccc3cn[nH]c32)cc1F ZINC000767205413 601876487 /nfs/dbraw/zinc/87/64/87/601876487.db2.gz HWKHWFIFIBVVLW-UHFFFAOYSA-N -1 1 299.261 2.653 20 0 CFADMM Clc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000095146677 607544802 /nfs/dbraw/zinc/54/48/02/607544802.db2.gz HMYUOYJBRCWHQT-UHFFFAOYSA-N -1 1 286.726 2.527 20 0 CFADMM Clc1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000095146677 607544804 /nfs/dbraw/zinc/54/48/04/607544804.db2.gz HMYUOYJBRCWHQT-UHFFFAOYSA-N -1 1 286.726 2.527 20 0 CFADMM CCCc1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000825348116 607546639 /nfs/dbraw/zinc/54/66/39/607546639.db2.gz CQGYEHWIPVNQOX-UHFFFAOYSA-N -1 1 294.362 2.826 20 0 CFADMM CCCc1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000825348116 607546640 /nfs/dbraw/zinc/54/66/40/607546640.db2.gz CQGYEHWIPVNQOX-UHFFFAOYSA-N -1 1 294.362 2.826 20 0 CFADMM CCc1ccc(CNCc2cccc(OCC(=O)[O-])c2)o1 ZINC000830249851 602190237 /nfs/dbraw/zinc/19/02/37/602190237.db2.gz PQAMEMCHUDZZGL-UHFFFAOYSA-N -1 1 289.331 2.595 20 0 CFADMM Cc1cccc(F)c1CNCc1ccc(NC(=O)[O-])nc1 ZINC000830505792 603558816 /nfs/dbraw/zinc/55/88/16/603558816.db2.gz NSMIMVFPBSXWAE-UHFFFAOYSA-N -1 1 289.310 2.909 20 0 CFADMM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736763297 603752594 /nfs/dbraw/zinc/75/25/94/603752594.db2.gz WDPMNBXPUGOMOV-PHIMTYICSA-N -1 1 291.351 2.588 20 0 CFADMM CCc1ccc(CN[C@@H](C[C@@H](C)CC)C(=O)[O-])o1 ZINC000901672006 620889040 /nfs/dbraw/zinc/88/90/40/620889040.db2.gz IIBCUOXYUMZRPH-GWCFXTLKSA-N -1 1 253.342 2.821 20 0 CFADMM Cc1occc1CNCc1cccc2c1N(C(=O)[O-])CC2 ZINC000830952025 603855696 /nfs/dbraw/zinc/85/56/96/603855696.db2.gz BLTTWHLALKCTJS-UHFFFAOYSA-N -1 1 286.331 2.918 20 0 CFADMM O=C([O-])NC[C@@H]1CCCN1Cc1cccc(Cl)c1 ZINC000832573846 604071987 /nfs/dbraw/zinc/07/19/87/604071987.db2.gz UVHRYIYKBDOBKC-LBPRGKRZSA-N -1 1 268.744 2.572 20 0 CFADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000825265089 604217419 /nfs/dbraw/zinc/21/74/19/604217419.db2.gz QCMYPEGQDVMVGY-QWRGUYRKSA-N -1 1 298.333 2.833 20 0 CFADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(Cl)nc2)C1 ZINC000825264456 604233572 /nfs/dbraw/zinc/23/35/72/604233572.db2.gz KIXXLGRDGMBRIQ-JQWIXIFHSA-N -1 1 297.786 2.603 20 0 CFADMM O=C([O-])c1csc(NC(=O)c2cccc3[nH]ncc32)c1 ZINC000833342834 604314938 /nfs/dbraw/zinc/31/49/38/604314938.db2.gz YOCJMPBVSJXOFW-UHFFFAOYSA-N -1 1 287.300 2.575 20 0 CFADMM C[C@@H](N[C@@H]1CCN(C(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000825479455 604316069 /nfs/dbraw/zinc/31/60/69/604316069.db2.gz NANYWUXPHZCUNB-PSASIEDQSA-N -1 1 286.734 2.882 20 0 CFADMM O=C([O-])CCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000833237220 604453395 /nfs/dbraw/zinc/45/33/95/604453395.db2.gz ZTJZSMZGKCCIPW-ZDUSSCGKSA-N -1 1 269.291 2.967 20 0 CFADMM CN(CC(=O)[O-])Cc1cc(-c2ccccc2)cs1 ZINC000833691870 604542619 /nfs/dbraw/zinc/54/26/19/604542619.db2.gz UYDZGUHZPZATGW-UHFFFAOYSA-N -1 1 261.346 2.932 20 0 CFADMM CC(C)N(CCC(=O)[O-])Cc1occc1Br ZINC000232636317 604642971 /nfs/dbraw/zinc/64/29/71/604642971.db2.gz BXANDGRVICQBPC-UHFFFAOYSA-N -1 1 290.157 2.727 20 0 CFADMM C[C@H]1C[C@H]1c1ccc(CN(C)C(C)(C)C(=O)[O-])o1 ZINC000086762272 604626819 /nfs/dbraw/zinc/62/68/19/604626819.db2.gz AZDQSORCBDYFJW-GXSJLCMTSA-N -1 1 251.326 2.698 20 0 CFADMM C[C@@](NCc1cc2ccccc2o1)(C(=O)[O-])C1CC1 ZINC000827741246 604672068 /nfs/dbraw/zinc/67/20/68/604672068.db2.gz JITWVHBLUVQEBJ-HNNXBMFYSA-N -1 1 259.305 2.776 20 0 CFADMM CC1=C(C(=O)[O-])C[C@@H](CN(C)[C@H](C)c2ccccc2F)O1 ZINC000833578774 604824955 /nfs/dbraw/zinc/82/49/55/604824955.db2.gz WTNJHJDSEOPEBM-PWSUYJOCSA-N -1 1 293.338 2.966 20 0 CFADMM C/C(=C\CN1CC(c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000833385311 605015413 /nfs/dbraw/zinc/01/54/13/605015413.db2.gz VGPHUINPXSNNNI-UXBLZVDNSA-N -1 1 288.372 2.726 20 0 CFADMM C[C@]1(NCc2ncc(C3CC3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833570921 605071830 /nfs/dbraw/zinc/07/18/30/605071830.db2.gz VSMCIBZUSGZUID-ABAIWWIYSA-N -1 1 278.352 2.675 20 0 CFADMM CCC(CC)N(C(=O)c1cnc(C2CC2)[n-]c1=O)C1CC1 ZINC000900497996 620680819 /nfs/dbraw/zinc/68/08/19/620680819.db2.gz RJZOMEOEVLNXOJ-UHFFFAOYSA-N -1 1 289.379 2.853 20 0 CFADMM Clc1ccc(NCC2(C3CC3)CC2)nc1-c1nnn[n-]1 ZINC000826352524 607736639 /nfs/dbraw/zinc/73/66/39/607736639.db2.gz DYWVZTMININPPM-UHFFFAOYSA-N -1 1 290.758 2.517 20 0 CFADMM Clc1ccc(NCC2(C3CC3)CC2)nc1-c1nn[n-]n1 ZINC000826352524 607736640 /nfs/dbraw/zinc/73/66/40/607736640.db2.gz DYWVZTMININPPM-UHFFFAOYSA-N -1 1 290.758 2.517 20 0 CFADMM CCC[C@@H](C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)N(C)C ZINC000833648292 605145728 /nfs/dbraw/zinc/14/57/28/605145728.db2.gz RBPUTANXCNQOHC-LBPRGKRZSA-N -1 1 297.330 2.584 20 0 CFADMM C/C(=C/CN[C@@H](C)c1cccc(F)c1F)C(=O)[O-] ZINC000833385352 605184630 /nfs/dbraw/zinc/18/46/30/605184630.db2.gz SBYMFHOKUHKGSO-XZLDQRQTSA-N -1 1 255.264 2.646 20 0 CFADMM C[C@@H]1CCC[C@@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833610011 605368158 /nfs/dbraw/zinc/36/81/58/605368158.db2.gz USWPBBIQXLOVND-BDAKNGLRSA-N -1 1 287.319 2.636 20 0 CFADMM CC1=C(C(=O)[O-])C[C@@H](CN[C@@H](C)c2c(F)cccc2F)O1 ZINC000833578288 605382127 /nfs/dbraw/zinc/38/21/27/605382127.db2.gz KATVDCBFHWYCOW-WPRPVWTQSA-N -1 1 297.301 2.763 20 0 CFADMM Cc1nc([C@H](C)NC[C@H]2CCCCN2C(=O)[O-])cs1 ZINC000830708539 605479347 /nfs/dbraw/zinc/47/93/47/605479347.db2.gz CCMXFIYYFCPYDL-GXSJLCMTSA-N -1 1 283.397 2.635 20 0 CFADMM C[C@@H]1CCN(Cc2ccccc2C(=O)[O-])C[C@@H]1F ZINC000833616688 605490874 /nfs/dbraw/zinc/49/08/74/605490874.db2.gz ZVMWMDBXIHOVPN-MFKMUULPSA-N -1 1 251.301 2.565 20 0 CFADMM O=C([O-])N[C@@H]1C[C@@H](NCc2cccnc2)c2ccccc21 ZINC000834157775 605787532 /nfs/dbraw/zinc/78/75/32/605787532.db2.gz JZMYUMGYZMZUQW-HUUCEWRRSA-N -1 1 283.331 2.625 20 0 CFADMM Cc1ccc2nc([C@@H]3CCCN(C(=O)[O-])C3)[nH]c2c1 ZINC000833907518 605978643 /nfs/dbraw/zinc/97/86/43/605978643.db2.gz LAHUJRADEXJUTG-SNVBAGLBSA-N -1 1 259.309 2.729 20 0 CFADMM C[C@@H](CCNCc1csc(C(C)(C)C)n1)NC(=O)[O-] ZINC000833805569 606008825 /nfs/dbraw/zinc/00/88/25/606008825.db2.gz QZCDWEHCCBTQKT-VIFPVBQESA-N -1 1 285.413 2.576 20 0 CFADMM CCC[C@@H]1C[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000821041081 606419946 /nfs/dbraw/zinc/41/99/46/606419946.db2.gz YUZSHCIHYLWZBE-PHDIDXHHSA-N -1 1 284.776 2.577 20 0 CFADMM CCC[C@@H]1C[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000821041081 606419947 /nfs/dbraw/zinc/41/99/47/606419947.db2.gz YUZSHCIHYLWZBE-PHDIDXHHSA-N -1 1 284.776 2.577 20 0 CFADMM C[C@@H]1[C@@H](C)CCN1c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820728145 606423952 /nfs/dbraw/zinc/42/39/52/606423952.db2.gz UDQCEWITVFKJII-WDEREUQCSA-N -1 1 294.362 2.650 20 0 CFADMM C[C@@H]1[C@@H](C)CCN1c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820728145 606423953 /nfs/dbraw/zinc/42/39/53/606423953.db2.gz UDQCEWITVFKJII-WDEREUQCSA-N -1 1 294.362 2.650 20 0 CFADMM CC[C@@H](C)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820876828 606438493 /nfs/dbraw/zinc/43/84/93/606438493.db2.gz USBBOOKDPAJNJK-SECBINFHSA-N -1 1 268.324 2.625 20 0 CFADMM CC[C@@H](C)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820876828 606438495 /nfs/dbraw/zinc/43/84/95/606438495.db2.gz USBBOOKDPAJNJK-SECBINFHSA-N -1 1 268.324 2.625 20 0 CFADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)C1CC1 ZINC000820449996 606448109 /nfs/dbraw/zinc/44/81/09/606448109.db2.gz FTOQHJQORLGJTQ-VIFPVBQESA-N -1 1 280.335 2.625 20 0 CFADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)C1CC1 ZINC000820449996 606448110 /nfs/dbraw/zinc/44/81/10/606448110.db2.gz FTOQHJQORLGJTQ-VIFPVBQESA-N -1 1 280.335 2.625 20 0 CFADMM c1cc([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)cs1 ZINC000823743046 606456126 /nfs/dbraw/zinc/45/61/26/606456126.db2.gz RBXNKFDPELSQOA-GFCCVEGCSA-N -1 1 298.375 2.665 20 0 CFADMM c1cc([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)cs1 ZINC000823743046 606456127 /nfs/dbraw/zinc/45/61/27/606456127.db2.gz RBXNKFDPELSQOA-GFCCVEGCSA-N -1 1 298.375 2.665 20 0 CFADMM Cc1ccccc1[C@@H](C)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000822345488 606459024 /nfs/dbraw/zinc/45/90/24/606459024.db2.gz KFZCTPFZLFFRPL-GFCCVEGCSA-N -1 1 294.362 2.768 20 0 CFADMM Cc1ccccc1[C@@H](C)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000822345488 606459026 /nfs/dbraw/zinc/45/90/26/606459026.db2.gz KFZCTPFZLFFRPL-GFCCVEGCSA-N -1 1 294.362 2.768 20 0 CFADMM C[C@@H]1[C@@H](C)CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820710374 606468211 /nfs/dbraw/zinc/46/82/11/606468211.db2.gz PXZOEDBKJYSLRZ-DTWKUNHWSA-N -1 1 292.774 2.540 20 0 CFADMM C[C@@H]1[C@@H](C)CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820710374 606468212 /nfs/dbraw/zinc/46/82/12/606468212.db2.gz PXZOEDBKJYSLRZ-DTWKUNHWSA-N -1 1 292.774 2.540 20 0 CFADMM CC[C@H]1CCC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820979136 606807408 /nfs/dbraw/zinc/80/74/08/606807408.db2.gz FOTLLJFNQGDBFV-WCBMZHEXSA-N -1 1 292.774 2.906 20 0 CFADMM CC[C@H]1CCC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820979136 606807409 /nfs/dbraw/zinc/80/74/09/606807409.db2.gz FOTLLJFNQGDBFV-WCBMZHEXSA-N -1 1 292.774 2.906 20 0 CFADMM COc1ccccc1CSc1cccc(-c2nnn[n-]2)n1 ZINC000826220572 607900160 /nfs/dbraw/zinc/90/01/60/607900160.db2.gz RVVIPBKZVQLVMH-UHFFFAOYSA-N -1 1 299.359 2.563 20 0 CFADMM COc1ccccc1CSc1cccc(-c2nn[n-]n2)n1 ZINC000826220572 607900161 /nfs/dbraw/zinc/90/01/61/607900161.db2.gz RVVIPBKZVQLVMH-UHFFFAOYSA-N -1 1 299.359 2.563 20 0 CFADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C1CCC1 ZINC000824671125 607903749 /nfs/dbraw/zinc/90/37/49/607903749.db2.gz XNSAJLNGMPUCPD-RXMQYKEDSA-N -1 1 284.776 2.577 20 0 CFADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C1CCC1 ZINC000824671125 607903750 /nfs/dbraw/zinc/90/37/50/607903750.db2.gz XNSAJLNGMPUCPD-RXMQYKEDSA-N -1 1 284.776 2.577 20 0 CFADMM CC(C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000824184719 607929963 /nfs/dbraw/zinc/92/99/63/607929963.db2.gz JEDJESBAGCIMSI-UHFFFAOYSA-N -1 1 293.396 2.820 20 0 CFADMM CC(C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000824184719 607929962 /nfs/dbraw/zinc/92/99/62/607929962.db2.gz JEDJESBAGCIMSI-UHFFFAOYSA-N -1 1 293.396 2.820 20 0 CFADMM C[C@@H](N(C)c1snc(Cl)c1-c1nnn[n-]1)C1(C)CC1 ZINC000824466834 608123724 /nfs/dbraw/zinc/12/37/24/608123724.db2.gz ZFSOZKLRRQPZFZ-ZCFIWIBFSA-N -1 1 298.803 2.601 20 0 CFADMM C[C@@H](N(C)c1snc(Cl)c1-c1nn[n-]n1)C1(C)CC1 ZINC000824466834 608123725 /nfs/dbraw/zinc/12/37/25/608123725.db2.gz ZFSOZKLRRQPZFZ-ZCFIWIBFSA-N -1 1 298.803 2.601 20 0 CFADMM Clc1nsc(Nc2ccccc2)c1-c1nnn[n-]1 ZINC000826354765 608168905 /nfs/dbraw/zinc/16/89/05/608168905.db2.gz ULRJMBGFUJYIDC-UHFFFAOYSA-N -1 1 278.728 2.720 20 0 CFADMM Clc1nsc(Nc2ccccc2)c1-c1nn[n-]n1 ZINC000826354765 608168907 /nfs/dbraw/zinc/16/89/07/608168907.db2.gz ULRJMBGFUJYIDC-UHFFFAOYSA-N -1 1 278.728 2.720 20 0 CFADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H]1CCCC[C@@H]1C ZINC000826280698 608541101 /nfs/dbraw/zinc/54/11/01/608541101.db2.gz MLWLOENHARPSOV-GXSJLCMTSA-N -1 1 272.356 2.561 20 0 CFADMM CC[C@@H](CNc1ccnc2cc(F)ccc21)C(=O)[O-] ZINC000900974612 620735158 /nfs/dbraw/zinc/73/51/58/620735158.db2.gz NOOFLLKIHIDXFI-VIFPVBQESA-N -1 1 262.284 2.897 20 0 CFADMM C[C@@H]1CCC[C@@H](N(C)c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858343922 617612860 /nfs/dbraw/zinc/61/28/60/617612860.db2.gz GQDNUEXCOTWKQK-RKDXNWHRSA-N -1 1 255.749 2.851 20 0 CFADMM C[C@@H]1[C@H](C(F)(F)F)CCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858522320 617624011 /nfs/dbraw/zinc/62/40/11/617624011.db2.gz YNXIRMLBHVCGKT-PHDIDXHHSA-N -1 1 281.665 2.613 20 0 CFADMM O=c1nc(NC2(C(F)F)CCCC2)cc(Cl)[n-]1 ZINC000858549075 617625215 /nfs/dbraw/zinc/62/52/15/617625215.db2.gz RVBSWIUFLGZSLE-UHFFFAOYSA-N -1 1 263.675 2.825 20 0 CFADMM O=C(NC[C@H](O)c1ccco1)c1cc2ccccc2cc1[O-] ZINC000121486111 617684399 /nfs/dbraw/zinc/68/43/99/617684399.db2.gz OVJGZWVXKSVPOU-HNNXBMFYSA-N -1 1 297.310 2.602 20 0 CFADMM COCc1nc(N2CCC[C@@H]2Cc2ccccc2)cc(=O)[n-]1 ZINC000891677390 617705981 /nfs/dbraw/zinc/70/59/81/617705981.db2.gz TUQWJELFOVHGHX-CQSZACIVSA-N -1 1 299.374 2.540 20 0 CFADMM CCCCOc1ccc(C(=O)NOC2CCC2)c([O-])c1 ZINC000812791521 617899084 /nfs/dbraw/zinc/89/90/84/617899084.db2.gz WOSBLBSBSDKMIF-UHFFFAOYSA-N -1 1 279.336 2.785 20 0 CFADMM Cc1ccc(-c2ccc(CN[C@@H](C)C(=O)[O-])o2)cc1 ZINC000262026962 617918631 /nfs/dbraw/zinc/91/86/31/617918631.db2.gz NQTYSOJIJYFNBD-NSHDSACASA-N -1 1 259.305 2.818 20 0 CFADMM Cc1nc2c(s1)[C@@H]([N-]C(=O)C(F)(F)C(F)F)CCC2 ZINC000780123623 617965772 /nfs/dbraw/zinc/96/57/72/617965772.db2.gz UZRYUHPJSCDKAJ-ZETCQYMHSA-N -1 1 296.289 2.846 20 0 CFADMM CC[C@@H](CC(=O)NCCc1n[n-]c(=S)n1CC)C(C)C ZINC000067076084 618008687 /nfs/dbraw/zinc/00/86/87/618008687.db2.gz AOXOTSQRRJNGFZ-NSHDSACASA-N -1 1 298.456 2.692 20 0 CFADMM CCc1ccc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)o1 ZINC000086773058 618092908 /nfs/dbraw/zinc/09/29/08/618092908.db2.gz IAGSXYAMQBQHHS-GFCCVEGCSA-N -1 1 291.269 2.681 20 0 CFADMM Cc1oc(C(=O)[O-])cc1CN1CCC(C(F)F)CC1 ZINC000307869178 618117417 /nfs/dbraw/zinc/11/74/17/618117417.db2.gz 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CFADMM COc1cc(C)cc(CNCc2cc(C(=O)[O-])oc2C)c1 ZINC000902296138 621024619 /nfs/dbraw/zinc/02/46/19/621024619.db2.gz FYMVEUWIASQRDT-UHFFFAOYSA-N -1 1 289.331 2.893 20 0 CFADMM COc1cccc(CNCc2cc(C(=O)[O-])co2)c1C ZINC000902299060 621025752 /nfs/dbraw/zinc/02/57/52/621025752.db2.gz XFYNMXFYBPVKAE-UHFFFAOYSA-N -1 1 275.304 2.585 20 0 CFADMM CCc1noc(CC)c1CNCc1cc(C(=O)[O-])cs1 ZINC000902401381 621068206 /nfs/dbraw/zinc/06/82/06/621068206.db2.gz PAJQHCPLMHSDAR-UHFFFAOYSA-N -1 1 294.376 2.849 20 0 CFADMM CC(C)CO[C@H]1CCN(Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000902405079 621070026 /nfs/dbraw/zinc/07/00/26/621070026.db2.gz KNSHIUBTFMRSMP-GXMNPTEKSA-N -1 1 293.363 2.624 20 0 CFADMM C[C@H]1CN(CCC(C)(C)C(=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000902482667 621109942 /nfs/dbraw/zinc/10/99/42/621109942.db2.gz AZYBYWVVSCUFPP-VHSXEESVSA-N -1 1 297.317 2.529 20 0 CFADMM CCC(CC)(C(=O)[O-])C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000902726111 621158625 /nfs/dbraw/zinc/15/86/25/621158625.db2.gz JYVPXZYNGWNKRM-UHFFFAOYSA-N -1 1 289.335 2.701 20 0 CFADMM Cc1ccc(F)c(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1F ZINC000903406950 621362568 /nfs/dbraw/zinc/36/25/68/621362568.db2.gz BCKFFLPEGZLHOL-MWLCHTKSSA-N -1 1 283.318 2.816 20 0 CFADMM Cc1ccc(F)c(CN2CCC(C(=O)[O-])CC2)c1F ZINC000903401469 621368629 /nfs/dbraw/zinc/36/86/29/621368629.db2.gz OKXLTXGGHZIYOO-UHFFFAOYSA-N -1 1 269.291 2.570 20 0 CFADMM C[C@@H]1CN(Cc2cc(C(F)(F)F)co2)C[C@H]1CC(=O)[O-] ZINC000903629523 621409534 /nfs/dbraw/zinc/40/95/34/621409534.db2.gz JRDLKWKTHHZPCZ-RKDXNWHRSA-N -1 1 291.269 2.841 20 0 CFADMM CN(Cc1ccoc1)[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000903888251 621460254 /nfs/dbraw/zinc/46/02/54/621460254.db2.gz WDKPGHPVGZKWLI-HNNXBMFYSA-N -1 1 273.332 2.797 20 0 CFADMM CC(C)(C)c1nc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])co1 ZINC000903901096 621467540 /nfs/dbraw/zinc/46/75/40/621467540.db2.gz AELXJLIUUSGAFF-UHTWSYAYSA-N -1 1 292.379 2.657 20 0 CFADMM CCO[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000903933519 621477295 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CCc1ccc(CN[C@@H](COC(C)(C)C)C(=O)[O-])s1 ZINC000904012426 621506987 /nfs/dbraw/zinc/50/69/87/621506987.db2.gz ZQSQIDSNZYBQIM-LBPRGKRZSA-N -1 1 285.409 2.668 20 0 CFADMM CSC[C@H](NCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000904041203 621510160 /nfs/dbraw/zinc/51/01/60/621510160.db2.gz MFUMFILWVKTQGW-VIFPVBQESA-N -1 1 295.738 2.524 20 0 CFADMM O=C([O-])[C@@H](F)CNCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000904042118 621510680 /nfs/dbraw/zinc/51/06/80/621510680.db2.gz AYZDJUKZWHPZNX-VIFPVBQESA-N -1 1 299.651 2.871 20 0 CFADMM Cc1cnccc1CN[C@H](CC(=O)[O-])c1ccccc1F ZINC000904046213 621511169 /nfs/dbraw/zinc/51/11/69/621511169.db2.gz XMRNLFJYUGFQPF-OAHLLOKOSA-N -1 1 288.322 2.835 20 0 CFADMM O=C([O-])[C@H]1C[C@@H](NCc2c(F)ccc(F)c2Cl)C1 ZINC000904052824 621512337 /nfs/dbraw/zinc/51/23/37/621512337.db2.gz LWMGEJXSWDJHIS-KNVOCYPGSA-N -1 1 275.682 2.571 20 0 CFADMM CC[C@@H](NCc1c(C)cccc1C)c1nc(C(=O)[O-])c[nH]1 ZINC000904064241 621514099 /nfs/dbraw/zinc/51/40/99/621514099.db2.gz GUHWTPNHLJSKCT-CYBMUJFWSA-N -1 1 287.363 2.966 20 0 CFADMM CC[C@H](NCc1cccc2cc[nH]c21)c1nc(C(=O)[O-])c[nH]1 ZINC000904065506 621514768 /nfs/dbraw/zinc/51/47/68/621514768.db2.gz SPOFJDPDSMBVSG-LBPRGKRZSA-N -1 1 298.346 2.830 20 0 CFADMM Cc1cnc([C@H](C)N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)s1 ZINC000904223664 621552681 /nfs/dbraw/zinc/55/26/81/621552681.db2.gz KMFWOJPKOWJDMO-HBNTYKKESA-N -1 1 295.408 2.681 20 0 CFADMM COc1cnc(C=Cc2nc3c(s2)CCCC3)[n-]c1=O ZINC000905076831 621699062 /nfs/dbraw/zinc/69/90/62/621699062.db2.gz LLAMCWSJMBRQTA-VOTSOKGWSA-N -1 1 289.360 2.697 20 0 CFADMM O=C([O-])c1occc1CN[C@@H]1CCCc2cccnc21 ZINC000905752530 621848565 /nfs/dbraw/zinc/84/85/65/621848565.db2.gz UMMYIGSSOQZZKN-GFCCVEGCSA-N -1 1 272.304 2.540 20 0 CFADMM CCc1onc(C)c1CNCc1csc(C(=O)[O-])c1 ZINC000905754263 621850289 /nfs/dbraw/zinc/85/02/89/621850289.db2.gz DHQAYNVNRQRSAL-UHFFFAOYSA-N -1 1 280.349 2.595 20 0 CFADMM C[C@@H]1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC1(C)C ZINC000907376964 622118544 /nfs/dbraw/zinc/11/85/44/622118544.db2.gz 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CFADMM CCOC1(C(=O)Nc2cc(F)cc(F)c2[O-])CCCC1 ZINC000910988805 622496092 /nfs/dbraw/zinc/49/60/92/622496092.db2.gz UHGKNSOIFGQNKS-UHFFFAOYSA-N -1 1 285.290 2.958 20 0 CFADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910989670 622496095 /nfs/dbraw/zinc/49/60/95/622496095.db2.gz CBDUITNDAAOSNM-XCWAXFADSA-N -1 1 267.275 2.901 20 0 CFADMM CC[C@H]1OCCC[C@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910995199 622496752 /nfs/dbraw/zinc/49/67/52/622496752.db2.gz WYRJHRBDWZZSFA-BXKDBHETSA-N -1 1 285.290 2.814 20 0 CFADMM C[C@H]1CCCCN1NC(=O)c1c([O-])cccc1Cl ZINC000912147008 622648508 /nfs/dbraw/zinc/64/85/08/622648508.db2.gz LVVPMRSLMOVOSZ-VIFPVBQESA-N -1 1 268.744 2.565 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C=CSc1ccccc1 ZINC000820402530 622663735 /nfs/dbraw/zinc/66/37/35/622663735.db2.gz LKGODEWOAJJMHP-BQYQJAHWSA-N -1 1 275.333 2.668 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC000820408214 622664993 /nfs/dbraw/zinc/66/49/93/622664993.db2.gz XKSUBEUVJWTCTF-AWEZNQCLSA-N -1 1 263.341 2.889 20 0 CFADMM CC1(C)CCC[C@@H](OC(=O)c2ccc([O-])cc2F)C1=O ZINC000840405812 622733790 /nfs/dbraw/zinc/73/37/90/622733790.db2.gz VFAZFBNONXTESN-GFCCVEGCSA-N -1 1 280.295 2.836 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])C1CC2(CC2(F)F)C1 ZINC000834298528 625594738 /nfs/dbraw/zinc/59/47/38/625594738.db2.gz RDJMCKAQXAPADS-UHFFFAOYSA-N -1 1 288.681 2.815 20 0 CFADMM COc1cnc(C=Cc2ccc(OC(F)F)cc2)[n-]c1=O ZINC000821007408 622818103 /nfs/dbraw/zinc/81/81/03/622818103.db2.gz HWRIFGMROKXRLZ-QPJJXVBHSA-N -1 1 294.257 2.963 20 0 CFADMM COc1cccc(C=Cc2ncc(OC)c(=O)[n-]2)c1F ZINC000821007009 622818386 /nfs/dbraw/zinc/81/83/86/622818386.db2.gz AAQSIOHSGUAHAK-VOTSOKGWSA-N -1 1 276.267 2.509 20 0 CFADMM CCOc1cccc(C=Cc2ncc(OC)c(=O)[n-]2)c1 ZINC000821007707 622818743 /nfs/dbraw/zinc/81/87/43/622818743.db2.gz KIUYZTMLTCFZDV-FPLPWBNLSA-N -1 1 272.304 2.760 20 0 CFADMM C[C@@H]1c2c[nH]nc2CC[C@@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000913159891 622839523 /nfs/dbraw/zinc/83/95/23/622839523.db2.gz 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C[C@@H](CC(=O)NCc1ccc([O-])c(Cl)c1)n1cccn1 ZINC000834821550 625880508 /nfs/dbraw/zinc/88/05/08/625880508.db2.gz AYUAXPURUXXVQE-JTQLQIEISA-N -1 1 293.754 2.510 20 0 CFADMM C[C@]1(C(=O)NCc2ccc([O-])c(Cl)c2)CC1(F)F ZINC000834821716 625880530 /nfs/dbraw/zinc/88/05/30/625880530.db2.gz DORCPKVGFSHUCN-LLVKDONJSA-N -1 1 275.682 2.707 20 0 CFADMM CC(C)[C@H](F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825005 625886003 /nfs/dbraw/zinc/88/60/03/625886003.db2.gz FTRBSXYMJJQYGR-NSHDSACASA-N -1 1 259.708 2.656 20 0 CFADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CC12CCC2 ZINC000834828889 625888454 /nfs/dbraw/zinc/88/84/54/625888454.db2.gz CJFWLZYVEGLLKY-JTQLQIEISA-N -1 1 265.740 2.852 20 0 CFADMM O=C(N[C@H]1CCOC12CCCCC2)c1ccc([O-])cc1F ZINC000888308347 625974854 /nfs/dbraw/zinc/97/48/54/625974854.db2.gz YCQPRHJHHNKJJB-AWEZNQCLSA-N -1 1 293.338 2.753 20 0 CFADMM CCCCCOC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000062294345 626064808 /nfs/dbraw/zinc/06/48/08/626064808.db2.gz MKXLKMCXLNSAMD-UHFFFAOYSA-N -1 1 299.392 2.795 20 0 CFADMM CC[C@@H](NC(=O)c1c([O-])cccc1Cl)[C@H]1CCCOC1 ZINC000922135715 626215785 /nfs/dbraw/zinc/21/57/85/626215785.db2.gz TZJWOKFDRBLLRJ-CMPLNLGQSA-N -1 1 297.782 2.981 20 0 CFADMM CCc1n[n-]c(=S)n1CCNC(=O)/C=C(/C)C(C)(C)C ZINC000073997254 626402748 /nfs/dbraw/zinc/40/27/48/626402748.db2.gz MNNBNQMURQFBSH-KTKRTIGZSA-N -1 1 296.440 2.612 20 0 CFADMM CC[C@]1(C(=O)[O-])CCCN([C@H](C)c2nc(C(C)C)no2)C1 ZINC000923469754 626475478 /nfs/dbraw/zinc/47/54/78/626475478.db2.gz XYKNIXQQHBIFPP-ABAIWWIYSA-N -1 1 295.383 2.831 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1C[C@@]1(C)C(C)C ZINC000838041790 626484346 /nfs/dbraw/zinc/48/43/46/626484346.db2.gz ORVJEUDOVRQCLF-ZBEGNZNMSA-N -1 1 291.395 2.778 20 0 CFADMM Cc1ccc(C(=O)[N-]c2c(C)onc2OC(F)F)o1 ZINC000788112661 626503848 /nfs/dbraw/zinc/50/38/48/626503848.db2.gz WAEQFCWMKCZHIG-UHFFFAOYSA-N -1 1 272.207 2.738 20 0 CFADMM CON(C(=O)c1cc(Cl)ccc1[O-])C1CCCC1 ZINC000757628157 626556745 /nfs/dbraw/zinc/55/67/45/626556745.db2.gz BWRZCSUALNDWHR-UHFFFAOYSA-N 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20 0 CFADMM O=C(CCc1cc(Cl)cs1)[N-]OCC(F)(F)F ZINC000766768259 627219788 /nfs/dbraw/zinc/21/97/88/627219788.db2.gz NWXITOBIYULOFQ-UHFFFAOYSA-N -1 1 287.690 2.944 20 0 CFADMM Cc1cc([C@H]2CCCN2C(=O)c2ccc([O-])c(F)c2)no1 ZINC000767302156 627242486 /nfs/dbraw/zinc/24/24/86/627242486.db2.gz RPOBCLYCEFVFDS-CYBMUJFWSA-N -1 1 290.294 2.805 20 0 CFADMM CC(=O)Nc1ccc(OC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000767293881 627242653 /nfs/dbraw/zinc/24/26/53/627242653.db2.gz PEDDANJKISDPCA-UHFFFAOYSA-N -1 1 289.262 2.709 20 0 CFADMM CC(C)(C)c1nsc(NC(=O)c2ccc([O-])c(F)c2)n1 ZINC000767942055 627297129 /nfs/dbraw/zinc/29/71/29/627297129.db2.gz VEQMXOWLAYPUBL-UHFFFAOYSA-N -1 1 295.339 2.933 20 0 CFADMM COc1ccc(C(=O)Nc2c([O-])cccc2F)nc1Cl ZINC000768319268 627333099 /nfs/dbraw/zinc/33/30/99/627333099.db2.gz GUYUBMKWZJNLML-UHFFFAOYSA-N -1 1 296.685 2.841 20 0 CFADMM Cc1c(NC(=O)c2ccccc2[O-])n[nH]c1C1CC1 ZINC000769752251 627472050 /nfs/dbraw/zinc/47/20/50/627472050.db2.gz MTPFWFNCEPQONW-UHFFFAOYSA-N -1 1 257.293 2.553 20 0 CFADMM CC(C)(C)OC(=O)C1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC000770263325 627510427 /nfs/dbraw/zinc/51/04/27/627510427.db2.gz DTTGRJMTXFRXEM-UHFFFAOYSA-N -1 1 295.301 2.565 20 0 CFADMM CS/C=C/c1nc(-c2ccc([O-])cc2F)no1 ZINC000771199332 627583817 /nfs/dbraw/zinc/58/38/17/627583817.db2.gz JWWJESVBIBTPTL-SNAWJCMRSA-N -1 1 252.270 2.915 20 0 CFADMM C[C@@H](COc1ccccc1)NC(=O)c1c([O-])cccc1F ZINC000771934792 627650764 /nfs/dbraw/zinc/65/07/64/627650764.db2.gz WOGUACKZKINMJL-NSHDSACASA-N -1 1 289.306 2.729 20 0 CFADMM CC(C)(CCCO)CNC(=O)c1c([O-])cccc1Cl ZINC000772907799 627758521 /nfs/dbraw/zinc/75/85/21/627758521.db2.gz BMYHOHFQOLJHJY-UHFFFAOYSA-N -1 1 285.771 2.574 20 0 CFADMM CC(C)CC[C@H](C)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773750028 627854533 /nfs/dbraw/zinc/85/45/33/627854533.db2.gz ISWOVYSJXIWRAM-JTQLQIEISA-N -1 1 292.408 2.573 20 0 CFADMM O=C(NN1CCCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000774079617 627885301 /nfs/dbraw/zinc/88/53/01/627885301.db2.gz DPZOCICTRINDKM-UHFFFAOYSA-N -1 1 288.269 2.542 20 0 CFADMM CCc1noc(CC)c1CC(=O)[N-]OC1CCCCC1 ZINC000777960643 628267592 /nfs/dbraw/zinc/26/75/92/628267592.db2.gz BGZOLQRBDAVHBB-UHFFFAOYSA-N -1 1 280.368 2.722 20 0 CFADMM C[C@@H](COC(=O)c1cn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000805605626 628298150 /nfs/dbraw/zinc/29/81/50/628298150.db2.gz OVIFWYXMSUQILJ-QMMMGPOBSA-N -1 1 299.252 2.784 20 0 CFADMM CC[C@H](OC(=O)c1cn[n-]n1)c1ccc(Cl)cc1 ZINC000805605375 628298194 /nfs/dbraw/zinc/29/81/94/628298194.db2.gz LBMOUCPIXUWQAK-NSHDSACASA-N -1 1 265.700 2.766 20 0 CFADMM C[C@H]1CCN(C(=O)c2c([O-])cccc2Cl)C[C@@H]1F ZINC000778470060 628309349 /nfs/dbraw/zinc/30/93/49/628309349.db2.gz OYHRJVHQJSHUIQ-WPRPVWTQSA-N -1 1 271.719 2.866 20 0 CFADMM Cc1cnc(C(=O)NCc2ccnc3ccccc23)c([O-])c1 ZINC000778956443 628341955 /nfs/dbraw/zinc/34/19/55/628341955.db2.gz LSSLMUOLGOXWIE-UHFFFAOYSA-N -1 1 293.326 2.574 20 0 CFADMM CC(=O)OCCc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000779373138 628376949 /nfs/dbraw/zinc/37/69/49/628376949.db2.gz AWZNKNXTFGLMEI-UHFFFAOYSA-N -1 1 299.326 2.750 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCC=CO1 ZINC000780992391 628511613 /nfs/dbraw/zinc/51/16/13/628511613.db2.gz SCPATEHYCPTUHE-LLVKDONJSA-N -1 1 253.685 2.677 20 0 CFADMM O=C(Nc1nc(Br)ccc1[O-])[C@@H]1CC12CCC2 ZINC000783905096 628754627 /nfs/dbraw/zinc/75/46/27/628754627.db2.gz PNYRJXSXYJVUBU-ZETCQYMHSA-N -1 1 297.152 2.678 20 0 CFADMM O=C(CCC1CC1)Nc1nc(Br)ccc1[O-] ZINC000783900499 628754670 /nfs/dbraw/zinc/75/46/70/628754670.db2.gz BJYWMNACMBJUOO-UHFFFAOYSA-N -1 1 285.141 2.678 20 0 CFADMM O=C(Nc1ccncc1[O-])C(F)=CC1CCCCC1 ZINC000786468189 628959650 /nfs/dbraw/zinc/95/96/50/628959650.db2.gz RGQNNPSVPFCRRQ-DHZHZOJOSA-N -1 1 264.300 2.581 20 0 CFADMM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047815 629205381 /nfs/dbraw/zinc/20/53/81/629205381.db2.gz PDBMUTIQNRUJJC-YUMQZZPRSA-N -1 1 254.717 2.671 20 0 CFADMM Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])co1 ZINC000790049293 629205430 /nfs/dbraw/zinc/20/54/30/629205430.db2.gz XDVOLKKGEHCGOU-UHFFFAOYSA-N -1 1 252.657 2.594 20 0 CFADMM 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C[C@@H](COc1ccccc1)C(=O)[N-]OC/C=C/Cl ZINC000794288545 629631051 /nfs/dbraw/zinc/63/10/51/629631051.db2.gz MAHULFNJUBRPCM-BWNDKRECSA-N -1 1 269.728 2.502 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@@H]2CCCC2(C)C)[n-]1 ZINC000796345864 629906552 /nfs/dbraw/zinc/90/65/52/629906552.db2.gz OATKYBBRQYCEMW-LLVKDONJSA-N -1 1 265.309 2.537 20 0 CFADMM COC(=O)c1ccc(C(=O)Oc2cccc3c2CCCC3)[n-]1 ZINC000796949757 629994605 /nfs/dbraw/zinc/99/46/05/629994605.db2.gz UVWSEXONDSPKMF-UHFFFAOYSA-N -1 1 299.326 2.899 20 0 CFADMM COC(=O)c1ccc(C(=O)OCC2(C)CCCC2)[n-]1 ZINC000797003397 630001813 /nfs/dbraw/zinc/00/18/13/630001813.db2.gz XHIJUKKWSYJQRM-UHFFFAOYSA-N -1 1 265.309 2.538 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)[n-]1 ZINC000797096841 630016653 /nfs/dbraw/zinc/01/66/53/630016653.db2.gz IBUITRXLSCGKBA-GARJFASQSA-N -1 1 279.336 2.783 20 0 CFADMM COC(=O)c1ccc(C(=O)Oc2cc(F)ccc2Cl)[n-]1 ZINC000797249180 630047831 /nfs/dbraw/zinc/04/78/31/630047831.db2.gz SNVOWIJZDLBEQK-UHFFFAOYSA-N -1 1 297.669 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CFADMM CC(C)OC1CN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231736068 777317973 /nfs/dbraw/zinc/31/79/73/777317973.db2.gz ZDEKMAOLBLLURT-UHFFFAOYSA-N -1 1 255.745 2.655 20 0 CFADMM CCOC(=O)[C@H]1CCCCN1Cc1ccc(Cl)c([O-])c1 ZINC001231734044 777318328 /nfs/dbraw/zinc/31/83/28/777318328.db2.gz OUSDNZNBBIOGHZ-CYBMUJFWSA-N -1 1 297.782 2.963 20 0 CFADMM [O-]c1cccc(CN2CC3(CSC3)C2)c1Cl ZINC001232789838 777671039 /nfs/dbraw/zinc/67/10/39/777671039.db2.gz SLQZPQLXCRROOL-UHFFFAOYSA-N -1 1 255.770 2.594 20 0 CFADMM C[C@]1(F)CCCN(Cc2ccc(F)c([O-])c2F)C1 ZINC001232930701 777724914 /nfs/dbraw/zinc/72/49/14/777724914.db2.gz DXHASDDWNJNPQJ-ZDUSSCGKSA-N -1 1 259.271 2.994 20 0 CFADMM [O-]c1cc(CN2CC3(C2)CC(F)(F)C3)cc(F)c1F ZINC001232969166 777744647 /nfs/dbraw/zinc/74/46/47/777744647.db2.gz KWJCQYSCGNIINY-UHFFFAOYSA-N -1 1 275.245 2.902 20 0 CFADMM Cc1noc([C@@H]2CCCN2Cc2cc([O-])c(F)c(F)c2)n1 ZINC001232975776 777749027 /nfs/dbraw/zinc/74/90/27/777749027.db2.gz PMXRNXDXCIFAAV-NSHDSACASA-N -1 1 295.289 2.699 20 0 CFADMM [O-]c1cnc(Cl)cc1CN1CCC[C@H]1c1cnccn1 ZINC001233034398 777771420 /nfs/dbraw/zinc/77/14/20/777771420.db2.gz MBFWNTOTXGCZIH-LBPRGKRZSA-N -1 1 290.754 2.568 20 0 CFADMM C[C@@H]1c2cccn2CCN1Cc1cc(Cl)ncc1[O-] ZINC001233039071 777773883 /nfs/dbraw/zinc/77/38/83/777773883.db2.gz LONZYYNABDCUAW-SNVBAGLBSA-N -1 1 277.755 2.819 20 0 CFADMM COCC(=O)c1ccc([O-])cc1O[C@H]1CCCC[C@H]1F ZINC001227171892 777777121 /nfs/dbraw/zinc/77/71/21/777777121.db2.gz HXQSCXGOEZJKBA-OCCSQVGLSA-N -1 1 282.311 2.881 20 0 CFADMM [S-]c1ccc(CN2CCc3ccncc3C2)cc1 ZINC001233261211 777849578 /nfs/dbraw/zinc/84/95/78/777849578.db2.gz HCXLNPNRPYFUPU-UHFFFAOYSA-N -1 1 256.374 2.929 20 0 CFADMM CC(C)[C@@H]1CN(Cc2ccc([S-])cc2)CCO1 ZINC001233262057 777855615 /nfs/dbraw/zinc/85/56/15/777855615.db2.gz PASICFBKLDORMI-AWEZNQCLSA-N -1 1 251.395 2.832 20 0 CFADMM COc1ccc(C[N@H+](C)[C@@H]2CCCOC2)c(Cl)c1O ZINC001233402308 777938364 /nfs/dbraw/zinc/93/83/64/777938364.db2.gz LALVLFUWTIZFQF-LLVKDONJSA-N -1 1 285.771 2.665 20 0 CFADMM 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/nfs/dbraw/zinc/64/64/46/780646446.db2.gz WOGMJZFPNPSOMP-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM CCOC(=O)Cc1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241118126 780646482 /nfs/dbraw/zinc/64/64/82/780646482.db2.gz IQCMCALOZSEGPP-UHFFFAOYSA-N -1 1 293.269 2.838 20 0 CFADMM [O-]c1cc(F)c(-c2cc(N3CCOCC3)ccn2)c(F)c1 ZINC001241120402 780648230 /nfs/dbraw/zinc/64/82/30/780648230.db2.gz SJOQFFWBQDGLCH-UHFFFAOYSA-N -1 1 292.285 2.569 20 0 CFADMM O=c1[nH]c(=O)c2cc(-c3c(F)cc([O-])cc3F)ccc2o1 ZINC001241120922 780649534 /nfs/dbraw/zinc/64/95/34/780649534.db2.gz SEDDEURKHHETOP-UHFFFAOYSA-N -1 1 291.209 2.544 20 0 CFADMM O=C1NCCc2cc(-c3c(F)cc([O-])cc3F)ccc21 ZINC001241120677 780649682 /nfs/dbraw/zinc/64/96/82/780649682.db2.gz GIYVHBMAWQVLGW-UHFFFAOYSA-N -1 1 275.254 2.623 20 0 CFADMM O=C1NCc2c(cccc2-c2c(F)cc([O-])cc2F)N1 ZINC001241121061 780649989 /nfs/dbraw/zinc/64/99/89/780649989.db2.gz AITGCYBTPSWEQJ-UHFFFAOYSA-N -1 1 276.242 2.973 20 0 CFADMM CN1C(=O)NCc2c(-c3c(F)cc([O-])cc3F)cccc21 ZINC001241121909 780650544 /nfs/dbraw/zinc/65/05/44/780650544.db2.gz SDBFMMKOSULUDW-UHFFFAOYSA-N -1 1 290.269 2.997 20 0 CFADMM COc1cc(-c2c(F)cc([O-])cc2F)cnc1OC ZINC001241122017 780650627 /nfs/dbraw/zinc/65/06/27/780650627.db2.gz ILZHVBRJZWOUKP-UHFFFAOYSA-N -1 1 267.231 2.750 20 0 CFADMM Cn1cc(-c2c(F)cc([O-])cc2F)c2cc[nH]c2c1=O ZINC001241122256 780650646 /nfs/dbraw/zinc/65/06/46/780650646.db2.gz ZKHBJDMXCMHCHL-UHFFFAOYSA-N -1 1 276.242 2.517 20 0 CFADMM COc1ccc(-c2c(F)cc([O-])cc2F)c(N)c1 ZINC001241121956 780650705 /nfs/dbraw/zinc/65/07/05/780650705.db2.gz VBEBQZLOPCMENX-UHFFFAOYSA-N -1 1 251.232 2.928 20 0 CFADMM Cc1c(-c2c(F)cc([O-])cc2F)ccc2c1NC(=O)CO2 ZINC001241124729 780651999 /nfs/dbraw/zinc/65/19/99/780651999.db2.gz LGKKISWVWQIYDL-UHFFFAOYSA-N -1 1 291.253 2.977 20 0 CFADMM [O-]c1cc(F)c(-c2cc(F)cc(-c3nn[nH]n3)c2)c(F)c1 ZINC001241125162 780652165 /nfs/dbraw/zinc/65/21/65/780652165.db2.gz SWBFYAQVRQCZBU-UHFFFAOYSA-N -1 1 292.220 2.657 20 0 CFADMM Cc1cc(-c2nn[nH]n2)ccc1-c1c(F)cc([O-])cc1F ZINC001241125449 780652275 /nfs/dbraw/zinc/65/22/75/780652275.db2.gz XFYXYDBLRJEOJE-UHFFFAOYSA-N -1 1 288.257 2.826 20 0 CFADMM CC(C)(C)Oc1ncccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001241143954 780665036 /nfs/dbraw/zinc/66/50/36/780665036.db2.gz CWKRCDYHEJQSRN-UHFFFAOYSA-N -1 1 296.334 2.501 20 0 CFADMM CC(C)(C)Oc1ncccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001241143954 780665039 /nfs/dbraw/zinc/66/50/39/780665039.db2.gz CWKRCDYHEJQSRN-UHFFFAOYSA-N -1 1 296.334 2.501 20 0 CFADMM CCOc1ccc(C)cc1-c1nc(C)cc2c1C(=O)[N-]C2=O ZINC001241146030 780666216 /nfs/dbraw/zinc/66/62/16/780666216.db2.gz RQWDQZLSJKLQGE-UHFFFAOYSA-N -1 1 296.326 2.648 20 0 CFADMM Cc1ccc(C)c(-c2nc(C)cc3c2C(=O)[N-]C3=O)c1 ZINC001241189368 780693523 /nfs/dbraw/zinc/69/35/23/780693523.db2.gz FZIVIMXXRQDKQU-UHFFFAOYSA-N -1 1 266.300 2.557 20 0 CFADMM COc1ccc2ncnc(-c3c(F)ccc([O-])c3F)c2n1 ZINC001241289104 780758623 /nfs/dbraw/zinc/75/86/23/780758623.db2.gz KYTMFAHKQMLYGL-UHFFFAOYSA-N -1 1 289.241 2.684 20 0 CFADMM [O-]c1ccc(F)c(-c2ncnc3c2ncn3C2CC2)c1F ZINC001241289917 780759256 /nfs/dbraw/zinc/75/92/56/780759256.db2.gz FYLUNHKQBCLNCT-UHFFFAOYSA-N -1 1 288.257 2.812 20 0 CFADMM CCOc1ccc(-c2c(F)ccc([O-])c2F)nn1 ZINC001241290229 780759290 /nfs/dbraw/zinc/75/92/90/780759290.db2.gz JJHRIESMCLELGU-UHFFFAOYSA-N -1 1 252.220 2.526 20 0 CFADMM CCOC(=O)c1c(C)ncnc1-c1c(F)ccc([O-])c1F ZINC001241289542 780760312 /nfs/dbraw/zinc/76/03/12/780760312.db2.gz VGEXBJRWXUTVJH-UHFFFAOYSA-N -1 1 294.257 2.613 20 0 CFADMM COc1cc(-c2c(F)ccc([O-])c2F)nc(SC)n1 ZINC001241291519 780761254 /nfs/dbraw/zinc/76/12/54/780761254.db2.gz OEKBRVDINGDTPR-UHFFFAOYSA-N -1 1 284.287 2.858 20 0 CFADMM CSc1ncc(F)c(-c2c(F)ccc([O-])c2F)n1 ZINC001241291458 780761303 /nfs/dbraw/zinc/76/13/03/780761303.db2.gz LNZNOULFJXEKFL-UHFFFAOYSA-N -1 1 272.251 2.988 20 0 CFADMM COC(=O)c1cc(OC)cc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291277 780761356 /nfs/dbraw/zinc/76/13/56/780761356.db2.gz VOYZCUBVQVYNOF-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM CSc1cc(-c2c(F)ccc([O-])c2F)ncn1 ZINC001241291444 780761558 /nfs/dbraw/zinc/76/15/58/780761558.db2.gz LCQGXMIOSCZGEK-UHFFFAOYSA-N -1 1 254.261 2.849 20 0 CFADMM CC[C@@H]1CO[C@H](C)CN1Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701820790 780841939 /nfs/dbraw/zinc/84/19/39/780841939.db2.gz QAQGXNXVGYSYHX-TZMCWYRMSA-N -1 1 277.364 2.693 20 0 CFADMM CCOC(=O)c1c[nH]c(NC(=O)C=C(C)c2ccccc2)n1 ZINC001128946008 780961551 /nfs/dbraw/zinc/96/15/51/780961551.db2.gz GGPUHNZTHNWSCZ-PKNBQFBNSA-N -1 1 299.330 2.628 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)C=C(C)c2ccccc2)n1 ZINC001128946008 780961553 /nfs/dbraw/zinc/96/15/53/780961553.db2.gz GGPUHNZTHNWSCZ-PKNBQFBNSA-N -1 1 299.330 2.628 20 0 CFADMM Cc1[nH]nc2cc(-c3ccccc3S(=O)(=O)[O-])ccc12 ZINC001241640173 781038566 /nfs/dbraw/zinc/03/85/66/781038566.db2.gz ZMCBFQMHSLORPS-UHFFFAOYSA-N -1 1 288.328 2.785 20 0 CFADMM Cc1c2[nH]cnc2ccc1-c1cncc(C(=O)[O-])c1 ZINC001241801716 781132511 /nfs/dbraw/zinc/13/25/11/781132511.db2.gz QOFRBCGBOMZXAW-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM c1nn(C2CCCCC2)cc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001241841199 781153230 /nfs/dbraw/zinc/15/32/30/781153230.db2.gz YNEVHMUQHDHAMJ-UHFFFAOYSA-N -1 1 295.350 2.630 20 0 CFADMM c1nn(C2CCCCC2)cc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001241841199 781153233 /nfs/dbraw/zinc/15/32/33/781153233.db2.gz YNEVHMUQHDHAMJ-UHFFFAOYSA-N -1 1 295.350 2.630 20 0 CFADMM COc1ccc(-c2nccc3c2ccn3C)cc1C(=O)[O-] ZINC001241854517 781155006 /nfs/dbraw/zinc/15/50/06/781155006.db2.gz JKJSBELZVSJGJS-UHFFFAOYSA-N -1 1 282.299 2.947 20 0 CFADMM CC(C)(C)OC1CN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000707137254 781226257 /nfs/dbraw/zinc/22/62/57/781226257.db2.gz HCQFJRKAZFKONL-UHFFFAOYSA-N -1 1 283.755 2.685 20 0 CFADMM O=C1NCc2ccnc(-c3cc(C(F)(F)F)ccc3[O-])c21 ZINC001242131489 781294846 /nfs/dbraw/zinc/29/48/46/781294846.db2.gz LOHUQIPMMMMSIV-UHFFFAOYSA-N -1 1 294.232 2.716 20 0 CFADMM CNC(=O)c1cccc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242134230 781295510 /nfs/dbraw/zinc/29/55/10/781295510.db2.gz UNGYVDIKSZVCGC-UHFFFAOYSA-N -1 1 296.248 2.833 20 0 CFADMM Cc1cc(C(N)=O)cc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242134257 781296063 /nfs/dbraw/zinc/29/60/63/781296063.db2.gz VOPYKEPKFOXIDM-UHFFFAOYSA-N -1 1 296.248 2.880 20 0 CFADMM COC(=O)c1ncncc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242157631 781306527 /nfs/dbraw/zinc/30/65/27/781306527.db2.gz KHQMFDDDSGJTCT-UHFFFAOYSA-N -1 1 298.220 2.655 20 0 CFADMM COC(=O)c1nccc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242157493 781306762 /nfs/dbraw/zinc/30/67/62/781306762.db2.gz FZJFIXCXPVEZLD-UHFFFAOYSA-N -1 1 298.220 2.655 20 0 CFADMM Cc1c(F)cc(C(=O)[O-])cc1-c1cc2[nH]cnc2cn1 ZINC001242205205 781325557 /nfs/dbraw/zinc/32/55/57/781325557.db2.gz NWSCMKVBWJFDTI-UHFFFAOYSA-N -1 1 271.251 2.771 20 0 CFADMM CC[C@H](C)n1c(=O)[nH]c(C)c(-c2ccc(F)cc2[O-])c1=O ZINC001242218684 781332916 /nfs/dbraw/zinc/33/29/16/781332916.db2.gz LAMYDBDFBIGRNX-QMMMGPOBSA-N -1 1 292.310 2.740 20 0 CFADMM O=c1c(-c2ccc(F)cc2[O-])cccn1Cc1ccncc1 ZINC001242219683 781334140 /nfs/dbraw/zinc/33/41/40/781334140.db2.gz LOGNTDKLJFHIPM-UHFFFAOYSA-N -1 1 296.301 2.803 20 0 CFADMM CC(C)Oc1ccccc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001242224824 781336944 /nfs/dbraw/zinc/33/69/44/781336944.db2.gz MSMFSYHYXQIJDX-UHFFFAOYSA-N -1 1 295.338 2.953 20 0 CFADMM O=C([O-])Cc1cccc(-c2cc3nc[nH]c3cc2F)c1 ZINC001242264958 781349657 /nfs/dbraw/zinc/34/96/57/781349657.db2.gz MTVNWGCEFDOIMQ-UHFFFAOYSA-N -1 1 270.263 2.996 20 0 CFADMM Cc1cc2[nH]ncc2cc1-c1cnc(C(=O)[O-])c(C)c1 ZINC001242285052 781368286 /nfs/dbraw/zinc/36/82/86/781368286.db2.gz MTWWLOQCVGGZNC-UHFFFAOYSA-N -1 1 267.288 2.940 20 0 CFADMM COC(=O)c1ncc(-c2cccc(F)c2[O-])cc1C ZINC001242351752 781425293 /nfs/dbraw/zinc/42/52/93/781425293.db2.gz RHKNBLAODPJIKK-UHFFFAOYSA-N -1 1 261.252 2.688 20 0 CFADMM CS(=O)(=O)c1cncc(-c2cccc(Cl)c2[O-])c1 ZINC001242364853 781437430 /nfs/dbraw/zinc/43/74/30/781437430.db2.gz SKAGXZABXRJERB-UHFFFAOYSA-N -1 1 283.736 2.511 20 0 CFADMM NC(=O)c1nc2cc(-c3cccc(Cl)c3[O-])ccc2o1 ZINC001242367953 781440511 /nfs/dbraw/zinc/44/05/11/781440511.db2.gz UFKLTUHDKLDREN-UHFFFAOYSA-N -1 1 288.690 2.953 20 0 CFADMM COC(=O)c1nc2cc(-c3cnc(OC)c(C)c3)ccc2[n-]1 ZINC001242433782 781499997 /nfs/dbraw/zinc/49/99/97/781499997.db2.gz MIGGENNWIFYKCY-UHFFFAOYSA-N -1 1 297.314 2.729 20 0 CFADMM COC(=O)c1nc2ccc(-c3cnc(OC)c(C)c3)cc2[n-]1 ZINC001242433782 781500003 /nfs/dbraw/zinc/50/00/03/781500003.db2.gz MIGGENNWIFYKCY-UHFFFAOYSA-N -1 1 297.314 2.729 20 0 CFADMM COc1cnc(-c2cccc([O-])c2Cl)nc1C ZINC001242798642 781763962 /nfs/dbraw/zinc/76/39/62/781763962.db2.gz NONLGRVUVXKFSD-UHFFFAOYSA-N -1 1 250.685 2.820 20 0 CFADMM CCOC(=O)c1nccnc1-c1cccc([O-])c1Cl ZINC001242798311 781764150 /nfs/dbraw/zinc/76/41/50/781764150.db2.gz RNUVGZDILQTUIY-UHFFFAOYSA-N -1 1 278.695 2.679 20 0 CFADMM CCOc1ccnc(-c2cccc([O-])c2Cl)n1 ZINC001242798324 781764263 /nfs/dbraw/zinc/76/42/63/781764263.db2.gz RYYZUQWXOSVXBU-UHFFFAOYSA-N -1 1 250.685 2.901 20 0 CFADMM CCS(=O)(=O)c1cccnc1-c1cccc([O-])c1Cl ZINC001242801692 781767375 /nfs/dbraw/zinc/76/73/75/781767375.db2.gz VTEADVMMBVYTDV-UHFFFAOYSA-N -1 1 297.763 2.901 20 0 CFADMM O=C1NCCc2cc(-c3cccc([O-])c3Cl)ccc21 ZINC001242801256 781767673 /nfs/dbraw/zinc/76/76/73/781767673.db2.gz VGIHKUIFAUOKCM-UHFFFAOYSA-N -1 1 273.719 2.999 20 0 CFADMM COc1c(C(=O)[O-])cccc1-c1ccc2nc[nH]c2c1 ZINC001242923129 781845340 /nfs/dbraw/zinc/84/53/40/781845340.db2.gz XXWAILCDVYEYJF-UHFFFAOYSA-N -1 1 268.272 2.937 20 0 CFADMM CSc1ccccc1-c1nc(C)cc2c1C(=O)[N-]C2=O ZINC001242944027 781862329 /nfs/dbraw/zinc/86/23/29/781862329.db2.gz FLHIJTBDAXIJCK-UHFFFAOYSA-N -1 1 284.340 2.663 20 0 CFADMM COCCC[C@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000820636811 781872132 /nfs/dbraw/zinc/87/21/32/781872132.db2.gz ZAOJVUDRRITBQV-QMMMGPOBSA-N -1 1 273.279 2.672 20 0 CFADMM CC[C@@H](C)C[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000822600441 781906198 /nfs/dbraw/zinc/90/61/98/781906198.db2.gz TXSMKUQAFCQHJY-ZJUUUORDSA-N -1 1 277.368 2.614 20 0 CFADMM CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000111643987 529378949 /nfs/dbraw/zinc/37/89/49/529378949.db2.gz FMVAYNWNFMEUSK-GXSJLCMTSA-N -1 1 283.755 2.685 20 0 CFADMM CC1(C)CN(C(=O)C(=O)c2ccc([O-])cc2)[C@H]2CCC[C@H]21 ZINC000294973399 199278339 /nfs/dbraw/zinc/27/83/39/199278339.db2.gz YYPVAPJZRNPNHX-KGLIPLIRSA-N -1 1 287.359 2.612 20 0 CFADMM CCc1cc(C(=O)N=c2cc(C)n(C(C)C)[nH]2)ccc1[O-] ZINC000422079769 529515540 /nfs/dbraw/zinc/51/55/40/529515540.db2.gz NXWQPOKNTYKBHH-UHFFFAOYSA-N -1 1 287.363 2.715 20 0 CFADMM C[C@]1(C(=O)[O-])CCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000069997061 346904843 /nfs/dbraw/zinc/90/48/43/346904843.db2.gz NZHXLSQKVGZNAJ-INIZCTEOSA-N -1 1 291.395 2.685 20 0 CFADMM CC[C@@H](NC(=O)c1cc(Cl)ccc1[O-])[C@H]1CCCO1 ZINC000126010432 187210645 /nfs/dbraw/zinc/21/06/45/187210645.db2.gz DYEJFJYRFAVZDY-DGCLKSJQSA-N -1 1 283.755 2.733 20 0 CFADMM CCc1cnccc1[C@@H](C)NC(=O)c1ncc(C)cc1[O-] ZINC000428021394 529677389 /nfs/dbraw/zinc/67/73/89/529677389.db2.gz FNZHPDSLLNLQIC-LLVKDONJSA-N -1 1 285.347 2.544 20 0 CFADMM C[C@@H]1CN(C(=O)c2ncc3ccccc3c2[O-])CCS1 ZINC000668235410 539338640 /nfs/dbraw/zinc/33/86/40/539338640.db2.gz KJOHEJZLMWXHBD-SNVBAGLBSA-N -1 1 288.372 2.518 20 0 CFADMM CCC1(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CCCCC1 ZINC000283002070 282314747 /nfs/dbraw/zinc/31/47/47/282314747.db2.gz CYZQSPFPHMMEAW-UYRXBGFRSA-N -1 1 286.379 2.641 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1n[nH]c2c1CCCC2 ZINC000129578177 539465406 /nfs/dbraw/zinc/46/54/06/539465406.db2.gz SYAINTFJOYXFQL-UHFFFAOYSA-N -1 1 291.738 2.900 20 0 CFADMM Cc1cc(C)cc(C[C@H](C)NC(=O)c2cncc([O-])c2)c1 ZINC000174504790 232296210 /nfs/dbraw/zinc/29/62/10/232296210.db2.gz YXZNUOKLIDXZFC-ZDUSSCGKSA-N -1 1 284.359 2.765 20 0 CFADMM O=C(NCCc1ccccc1F)c1ccc([O-])cc1F ZINC000181058208 232402903 /nfs/dbraw/zinc/40/29/03/232402903.db2.gz MYBKBEHRKNLYJS-UHFFFAOYSA-N -1 1 277.270 2.643 20 0 CFADMM CCOc1ncccc1NC(=O)c1ccc([O-])cc1F ZINC000181878041 232404928 /nfs/dbraw/zinc/40/49/28/232404928.db2.gz FAYGAIJIKOSPDY-UHFFFAOYSA-N -1 1 276.267 2.577 20 0 CFADMM CC(C)(C)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000033773226 346313095 /nfs/dbraw/zinc/31/30/95/346313095.db2.gz STPXQAFERSIRKZ-UHFFFAOYSA-N -1 1 295.326 2.818 20 0 CFADMM C[C@H]1CN(C(=O)c2cncc([O-])c2)[C@H]1c1ccccc1 ZINC000175162423 290790548 /nfs/dbraw/zinc/79/05/48/290790548.db2.gz QULNUACJUWVQTK-XHDPSFHLSA-N -1 1 268.316 2.620 20 0 CFADMM Cc1ccc(CN[C@@](C)(CCC(C)C)C(=O)[O-])o1 ZINC000053043442 346536305 /nfs/dbraw/zinc/53/63/05/346536305.db2.gz ICQSLKAOGYPIQF-AWEZNQCLSA-N -1 1 253.342 2.957 20 0 CFADMM Cc1noc(C)c1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC000063447144 346699950 /nfs/dbraw/zinc/69/99/50/346699950.db2.gz SQMVDWVNNDMHLZ-UHFFFAOYSA-N -1 1 284.275 2.594 20 0 CFADMM CCn1c2ccccc2nc1C[N-]c1nc(C2CC2)no1 ZINC000076686252 347147658 /nfs/dbraw/zinc/14/76/58/347147658.db2.gz AAQPGGCSMKKAQX-UHFFFAOYSA-N -1 1 283.335 2.929 20 0 CFADMM CC(C)(C)c1cnc(CNC(=O)c2cc(F)ccc2[O-])o1 ZINC000080034632 347338198 /nfs/dbraw/zinc/33/81/98/347338198.db2.gz KSCSJPVDBIDZCN-UHFFFAOYSA-N -1 1 292.310 2.747 20 0 CFADMM CSc1nsc([N-]C(=O)c2cc(C(C)(C)C)on2)n1 ZINC000084629456 347469271 /nfs/dbraw/zinc/46/92/71/347469271.db2.gz DIWSJMKZGGQNEM-UHFFFAOYSA-N -1 1 298.393 2.798 20 0 CFADMM COc1ccccc1N(C)C(=O)c1cc(F)ccc1[O-] ZINC000132884745 539565596 /nfs/dbraw/zinc/56/55/96/539565596.db2.gz CBYKRDZMZPAPRB-UHFFFAOYSA-N -1 1 275.279 2.817 20 0 CFADMM Cc1cccnc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000092863897 347649036 /nfs/dbraw/zinc/64/90/36/347649036.db2.gz JSOMLISPBZOFFK-UHFFFAOYSA-N -1 1 298.314 2.610 20 0 CFADMM Cc1cc(Cl)cc2nc(SCc3nn[n-]n3)oc21 ZINC000095210907 347697715 /nfs/dbraw/zinc/69/77/15/347697715.db2.gz SBUVRALUKTWVDJ-UHFFFAOYSA-N -1 1 281.728 2.595 20 0 CFADMM CC(C)(C)c1csc(CN2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000094969444 347697812 /nfs/dbraw/zinc/69/78/12/347697812.db2.gz NPNXJQNLBZKBFS-CQSZACIVSA-N -1 1 282.409 2.737 20 0 CFADMM O=S(=O)([N-]CC1CCCC1)c1cc(Cl)ccc1F ZINC000096743503 347705534 /nfs/dbraw/zinc/70/55/34/347705534.db2.gz VHJVLHXNOOTAOR-UHFFFAOYSA-N -1 1 291.775 2.948 20 0 CFADMM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2ccc(F)cc2)C1 ZINC000113388262 347767403 /nfs/dbraw/zinc/76/74/03/347767403.db2.gz UQEPRDUNBMUHJW-GFCCVEGCSA-N -1 1 291.244 2.665 20 0 CFADMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(C)(C)C ZINC000112363670 347760871 /nfs/dbraw/zinc/76/08/71/347760871.db2.gz SUWXTBHHUCKZPX-SSDOTTSWSA-N -1 1 295.326 2.817 20 0 CFADMM CN(CCCC(=O)[O-])Cc1cc(F)ccc1Cl ZINC000124453194 347823979 /nfs/dbraw/zinc/82/39/79/347823979.db2.gz UJPPCMWPVGLTNX-UHFFFAOYSA-N -1 1 259.708 2.776 20 0 CFADMM C[C@H](CCC(C)(C)C)NC(=O)c1cncc([O-])c1 ZINC000128451236 347851095 /nfs/dbraw/zinc/85/10/95/347851095.db2.gz NAAYOXLERKFLRF-SNVBAGLBSA-N -1 1 250.342 2.732 20 0 CFADMM CC[C@@H](CSC)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000167732909 348046130 /nfs/dbraw/zinc/04/61/30/348046130.db2.gz BGJVNVISNBPCEU-VIFPVBQESA-N -1 1 257.355 2.551 20 0 CFADMM C[C@@H](c1ccncc1)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000124655062 539601894 /nfs/dbraw/zinc/60/18/94/539601894.db2.gz PHFTYZXMBVKIIP-LBPRGKRZSA-N -1 1 282.343 2.899 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C[C@@H]1CC[C@@H](CC(=O)Nc2n[n-]c(C(F)(F)F)n2)C1 ZINC000123705835 187105589 /nfs/dbraw/zinc/10/55/89/187105589.db2.gz BJKCNCTYWCRUHE-RNFRBKRXSA-N -1 1 276.262 2.588 20 0 CFADMM C[C@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C[C@@H]1F ZINC000613309581 351937193 /nfs/dbraw/zinc/93/71/93/351937193.db2.gz DBTIUVPDQKYUEC-GWCFXTLKSA-N -1 1 288.322 2.761 20 0 CFADMM CCC1(C)CN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000615108746 352154743 /nfs/dbraw/zinc/15/47/43/352154743.db2.gz OVYIBDYGRJCXBO-UHFFFAOYSA-N -1 1 270.332 2.813 20 0 CFADMM Cc1nc(C(C)C)oc1CNC(=O)c1ccc([O-])c(F)c1 ZINC000615152892 352159927 /nfs/dbraw/zinc/15/99/27/352159927.db2.gz GHZNEVOVYZKWPJ-UHFFFAOYSA-N -1 1 292.310 2.881 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000615225893 352169510 /nfs/dbraw/zinc/16/95/10/352169510.db2.gz HVUWWVQNYLFGAU-HTQZYQBOSA-N -1 1 291.273 2.731 20 0 CFADMM CC[C@H]1CCCC[C@H]1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000615222088 352169690 /nfs/dbraw/zinc/16/96/90/352169690.db2.gz OXYVFNCZEACOHD-VHSXEESVSA-N 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CFADMM CCC(C)(C)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645425275 383698852 /nfs/dbraw/zinc/69/88/52/383698852.db2.gz OLRMPJOOCFYEAR-UHFFFAOYSA-N -1 1 296.314 2.567 20 0 CFADMM C[C@H]1CC[C@H](C)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000075544646 374491369 /nfs/dbraw/zinc/49/13/69/374491369.db2.gz UNBOMUNGVTVECL-QWRGUYRKSA-N -1 1 285.347 2.596 20 0 CFADMM CCn1ccnc1/C=C\C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000492519223 246316785 /nfs/dbraw/zinc/31/67/85/246316785.db2.gz FDRLPWLWLHVFCA-WAYWQWQTSA-N -1 1 291.738 2.914 20 0 CFADMM O=C(/C=C/SCc1ccco1)[N-]O[C@H]1CCCCO1 ZINC000084972338 374795059 /nfs/dbraw/zinc/79/50/59/374795059.db2.gz DVENEABPEHBVSM-PPGNKHEKSA-N -1 1 283.349 2.601 20 0 CFADMM C[C@@H](c1c(F)cccc1F)N1CCC[C@H](C(=O)[O-])C1 ZINC000086728862 374805790 /nfs/dbraw/zinc/80/57/90/374805790.db2.gz DADLXFJGADKHNX-UWVGGRQHSA-N -1 1 269.291 2.822 20 0 CFADMM CC/C=C/C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000451777423 383704967 /nfs/dbraw/zinc/70/49/67/383704967.db2.gz RENWIMFXEGBELV-ONEGZZNKSA-N -1 1 277.748 2.724 20 0 CFADMM CCOC(=O)CC[C@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000089881619 374963388 /nfs/dbraw/zinc/96/33/88/374963388.db2.gz XVYXFGIOJBACFK-VIFPVBQESA-N -1 1 299.754 2.507 20 0 CFADMM O=C(N[C@H]1CCCC[C@H]1CO)c1ccc2ccccc2c1[O-] ZINC000092757301 375150836 /nfs/dbraw/zinc/15/08/36/375150836.db2.gz IFBKCZLZSDXCLH-BBRMVZONSA-N -1 1 299.370 2.826 20 0 CFADMM CC(=O)C[C@@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000093098132 375187841 /nfs/dbraw/zinc/18/78/41/375187841.db2.gz DEGSXUFAIADLHS-SNVBAGLBSA-N -1 1 271.316 2.643 20 0 CFADMM CCCc1cc(=O)[n-]c(SCC[C@H]2CCCC2=O)n1 ZINC000093556388 375265448 /nfs/dbraw/zinc/26/54/48/375265448.db2.gz JFEHRQUJKCKUSF-SNVBAGLBSA-N -1 1 280.393 2.574 20 0 CFADMM O=C(Nc1cccc(-c2ncon2)c1)c1cc(F)ccc1[O-] ZINC000094084926 375340310 /nfs/dbraw/zinc/34/03/10/375340310.db2.gz NZJSXEOBNCGKLR-UHFFFAOYSA-N -1 1 299.261 2.834 20 0 CFADMM C[C@H](O)C1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000094157281 375343355 /nfs/dbraw/zinc/34/33/55/375343355.db2.gz XEPUMBSQUKNZCM-LBPRGKRZSA-N 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279.727 2.579 20 0 CFADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cncc([O-])c2)C1 ZINC000111608981 375858076 /nfs/dbraw/zinc/85/80/76/375858076.db2.gz DXBWXVCBCIDJHE-DGCLKSJQSA-N -1 1 262.353 2.732 20 0 CFADMM CC[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H](C)O1 ZINC000111643994 375860505 /nfs/dbraw/zinc/86/05/05/375860505.db2.gz FMVAYNWNFMEUSK-KOLCDFICSA-N -1 1 283.755 2.685 20 0 CFADMM CCC1CCC(N(C)C(=O)c2cncc([O-])c2)CC1 ZINC000111739299 375867710 /nfs/dbraw/zinc/86/77/10/375867710.db2.gz KSIXGZXYPHCAOP-UHFFFAOYSA-N -1 1 262.353 2.828 20 0 CFADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cncc([O-])c1 ZINC000111775538 375869460 /nfs/dbraw/zinc/86/94/60/375869460.db2.gz HAPIEKVVTSZCHB-SNVBAGLBSA-N -1 1 274.295 2.760 20 0 CFADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1c[nH]c2ccccc2c1=O ZINC000119304476 376389110 /nfs/dbraw/zinc/38/91/10/376389110.db2.gz ZTDFHEMQTMZBMK-GHMZBOCLSA-N -1 1 270.332 2.541 20 0 CFADMM CCCCSCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000119567994 376436988 /nfs/dbraw/zinc/43/69/88/376436988.db2.gz 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197356264 /nfs/dbraw/zinc/35/62/64/197356264.db2.gz FXDLJZOJWDZAMQ-UHFFFAOYSA-N -1 1 252.261 2.962 20 0 CFADMM Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000170808056 379167070 /nfs/dbraw/zinc/16/70/70/379167070.db2.gz TZJURHVDTFWQAO-MRVPVSSYSA-N -1 1 293.754 2.579 20 0 CFADMM C[C@@H]1CCN(Cc2ccsc2Cl)C[C@@H]1C(=O)[O-] ZINC000335439919 379298610 /nfs/dbraw/zinc/29/86/10/379298610.db2.gz DCFSHQPPVHHQRC-SCZZXKLOSA-N -1 1 273.785 2.944 20 0 CFADMM COc1ccc([C@H](NC(=O)c2cncc([O-])c2)C2CC2)cc1 ZINC000171910116 379434903 /nfs/dbraw/zinc/43/49/03/379434903.db2.gz VOYDVRQTKXHFQO-MRXNPFEDSA-N -1 1 298.342 2.677 20 0 CFADMM O=S(=O)([N-][C@@H]1CC[C@@H](F)C1)c1ccc(Cl)s1 ZINC000334503503 379408644 /nfs/dbraw/zinc/40/86/44/379408644.db2.gz OSZJRUPXYKJRLP-RNFRBKRXSA-N -1 1 283.777 2.570 20 0 CFADMM C[C@H]1C[C@@H](CO)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000335531981 379465243 /nfs/dbraw/zinc/46/52/43/379465243.db2.gz RWRGADKVJIMBBF-QWHCGFSZSA-N -1 1 299.370 2.636 20 0 CFADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@@H](C2CC2)C1 ZINC000334538352 379483417 /nfs/dbraw/zinc/48/34/17/379483417.db2.gz BYICDBMSCMBTIO-SECBINFHSA-N -1 1 267.275 2.543 20 0 CFADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC[C@@H](F)C1 ZINC000335576988 379543154 /nfs/dbraw/zinc/54/31/54/379543154.db2.gz ATMMVCPMYQHBGD-SECBINFHSA-N -1 1 294.713 2.778 20 0 CFADMM CC[C@@H]1CCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000334591188 379587356 /nfs/dbraw/zinc/58/73/56/379587356.db2.gz WCESAODRVWIBSW-SECBINFHSA-N -1 1 269.728 2.679 20 0 CFADMM CC[C@H]1CCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000334591189 379587589 /nfs/dbraw/zinc/58/75/89/379587589.db2.gz WCESAODRVWIBSW-VIFPVBQESA-N -1 1 269.728 2.679 20 0 CFADMM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1cccc(F)c1F ZINC000334598785 379601049 /nfs/dbraw/zinc/60/10/49/379601049.db2.gz ZMQVQCPPXOVWHB-MWLCHTKSSA-N -1 1 269.291 2.650 20 0 CFADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(F)cc1F ZINC000334604644 379609401 /nfs/dbraw/zinc/60/94/01/379609401.db2.gz XEFVUXPWGFPZBM-KOLCDFICSA-N -1 1 269.291 2.650 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000335665031 379683835 /nfs/dbraw/zinc/68/38/35/379683835.db2.gz ZFYOHVBUEWDVGS-SMDDNHRTSA-N -1 1 293.338 2.563 20 0 CFADMM Cc1nc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)o1 ZINC000335667857 379688004 /nfs/dbraw/zinc/68/80/04/379688004.db2.gz BQTLPKBESPVVEZ-UHFFFAOYSA-N -1 1 266.684 2.903 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H]1C1CC1 ZINC000334665987 379734359 /nfs/dbraw/zinc/73/43/59/379734359.db2.gz HGVQWNVGEDUWOU-LLVKDONJSA-N -1 1 251.713 2.670 20 0 CFADMM C[C@H]1CC=C(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000334695722 379782366 /nfs/dbraw/zinc/78/23/66/379782366.db2.gz GJOHZUDBOQJTQK-LURJTMIESA-N -1 1 274.246 2.508 20 0 CFADMM CC(=O)c1cc(F)c([N-]C(=O)c2ncoc2C)c(F)c1 ZINC000334737802 379854749 /nfs/dbraw/zinc/85/47/49/379854749.db2.gz FXPALTZGXJAYOG-UHFFFAOYSA-N -1 1 280.230 2.716 20 0 CFADMM Cc1cnc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000335839831 379974440 /nfs/dbraw/zinc/97/44/40/379974440.db2.gz 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Cc1cnc(C(=O)N(C)[C@H](C)c2cccc(O)c2)c([O-])c1 ZINC000358549617 380917567 /nfs/dbraw/zinc/91/75/67/380917567.db2.gz RNXXIIWQACYYTQ-LLVKDONJSA-N -1 1 286.331 2.634 20 0 CFADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC000358555816 380923179 /nfs/dbraw/zinc/92/31/79/380923179.db2.gz JKFUJOPJNUCLBQ-RYUDHWBXSA-N -1 1 270.332 2.709 20 0 CFADMM COCCCO[N-]C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000287974544 380985556 /nfs/dbraw/zinc/98/55/56/380985556.db2.gz YDRSZUINDHBKEB-SNVBAGLBSA-N -1 1 271.744 2.528 20 0 CFADMM CC[C@@H](c1ccncc1)N(C)C(=O)c1ncc(C)cc1[O-] ZINC000358701163 381021935 /nfs/dbraw/zinc/02/19/35/381021935.db2.gz HLERWEJRIYIYLT-ZDUSSCGKSA-N -1 1 285.347 2.714 20 0 CFADMM CCCCN(CC(F)(F)F)C(=O)c1ncc(C)cc1[O-] ZINC000358657033 380995024 /nfs/dbraw/zinc/99/50/24/380995024.db2.gz ZQTYPYMIVMBTBF-UHFFFAOYSA-N -1 1 290.285 2.900 20 0 CFADMM CC(C)(C)OC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289628504 381074633 /nfs/dbraw/zinc/07/46/33/381074633.db2.gz VQYHJXLHPFWZPF-UHFFFAOYSA-N -1 1 292.307 2.554 20 0 CFADMM CC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000341583320 381102063 /nfs/dbraw/zinc/10/20/63/381102063.db2.gz MHWKKQBJVKAWMJ-GFCCVEGCSA-N -1 1 298.770 2.535 20 0 CFADMM O=C1CCC[C@@H]1CCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289638134 381079076 /nfs/dbraw/zinc/07/90/76/381079076.db2.gz WLXBOYCYYCCRTF-SSDOTTSWSA-N -1 1 288.319 2.971 20 0 CFADMM O=C(NCC[C@@H]1CCCCO1)c1ccc(Cl)cc1[O-] ZINC000182840245 381168337 /nfs/dbraw/zinc/16/83/37/381168337.db2.gz DUELSMPBHYKCAB-NSHDSACASA-N -1 1 283.755 2.735 20 0 CFADMM O=C(N[C@H](C1CC1)C(F)(F)F)c1c([O-])cccc1F ZINC000288688160 197145243 /nfs/dbraw/zinc/14/52/43/197145243.db2.gz WABBQPZCUZDYIS-SNVBAGLBSA-N -1 1 277.217 2.602 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc2nccn2c1 ZINC000182873933 381176643 /nfs/dbraw/zinc/17/66/43/381176643.db2.gz RWRYFBBJGVWBNG-UHFFFAOYSA-N -1 1 287.706 2.946 20 0 CFADMM CN1CCc2ccc(NC(=O)c3ccccc3[O-])cc21 ZINC000183054227 381205688 /nfs/dbraw/zinc/20/56/88/381205688.db2.gz RQXGOKQWQZODEF-UHFFFAOYSA-N -1 1 268.316 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298.770 2.510 20 0 CFADMM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ncccc1[O-] ZINC000296763905 381531305 /nfs/dbraw/zinc/53/13/05/381531305.db2.gz CXBKDWCDCVPEJL-DTWKUNHWSA-N -1 1 288.269 2.590 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCc2ccc(F)cc21 ZINC000185344141 381605204 /nfs/dbraw/zinc/60/52/04/381605204.db2.gz WQVTWAZQPAZKON-UHFFFAOYSA-N -1 1 275.254 2.873 20 0 CFADMM CC[C@@H](C)n1ncc(NC(=O)c2cncc([O-])c2)c1C ZINC000355101739 381611765 /nfs/dbraw/zinc/61/17/65/381611765.db2.gz INSGNIFVYMILAB-SECBINFHSA-N -1 1 274.324 2.515 20 0 CFADMM CC[C@@H]1CCN1C(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000298432422 381623308 /nfs/dbraw/zinc/62/33/08/381623308.db2.gz OWGSKSITZZSXHF-SNVBAGLBSA-N -1 1 286.331 2.574 20 0 CFADMM CCCC[C@H](N=c1nc(C)[n-]s1)C(=O)OC(C)(C)C ZINC000359904364 381668796 /nfs/dbraw/zinc/66/87/96/381668796.db2.gz RZWQURKFUJCVRI-JTQLQIEISA-N -1 1 285.413 2.581 20 0 CFADMM CC(C)c1nc(=NCCc2ccc(F)c(F)c2F)o[n-]1 ZINC000343465050 381730866 /nfs/dbraw/zinc/73/08/66/381730866.db2.gz 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O=C(N[C@@H]1CCC[C@H]1CCO)c1ccc2ccccc2c1[O-] ZINC000187868440 382285490 /nfs/dbraw/zinc/28/54/90/382285490.db2.gz JGHSYMYNOMYWPG-XJKSGUPXSA-N -1 1 299.370 2.826 20 0 CFADMM O=C(CC1CC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000357670835 382273036 /nfs/dbraw/zinc/27/30/36/382273036.db2.gz HGYCRYVQSGMZLI-UHFFFAOYSA-N -1 1 257.293 2.521 20 0 CFADMM CCC[C@@H](C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000680431241 542324403 /nfs/dbraw/zinc/32/44/03/542324403.db2.gz RCSYUDFXTWQESQ-MRVPVSSYSA-N -1 1 271.744 2.973 20 0 CFADMM O=c1cc(C2CC2)nc(SCCc2cccnc2)[n-]1 ZINC000188146242 382356155 /nfs/dbraw/zinc/35/61/55/382356155.db2.gz VSNNZRMALDBQSR-UHFFFAOYSA-N -1 1 273.361 2.789 20 0 CFADMM Cc1nnc([C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)o1 ZINC000188145429 382356285 /nfs/dbraw/zinc/35/62/85/382356285.db2.gz YRYAENCAMQIZQR-LURJTMIESA-N -1 1 278.337 2.604 20 0 CFADMM O=C(CC[C@@H]1CCCCO1)Nc1nc(Cl)ccc1[O-] ZINC000188355311 382397926 /nfs/dbraw/zinc/39/79/26/382397926.db2.gz FGAQJGXSAQVROM-VIFPVBQESA-N -1 1 284.743 2.728 20 0 CFADMM CC[C@H]1CCN1C(=O)c1ccc(Br)cc1[O-] ZINC000294047469 382393904 /nfs/dbraw/zinc/39/39/04/382393904.db2.gz OYQRYLUGGZSQMN-VIFPVBQESA-N -1 1 284.153 2.779 20 0 CFADMM C[C@H](N=c1nc(C2CCCC2)[n-]s1)C(=O)OC(C)(C)C ZINC000420618701 382428669 /nfs/dbraw/zinc/42/86/69/382428669.db2.gz XKDZCINIVMKOFB-VIFPVBQESA-N -1 1 297.424 2.760 20 0 CFADMM CCN1CCC[C@H]1CN=c1nc(C2CCCC2)[n-]s1 ZINC000420577392 382408430 /nfs/dbraw/zinc/40/84/30/382408430.db2.gz ANKXKGZWEWXZNW-LBPRGKRZSA-N -1 1 280.441 2.514 20 0 CFADMM O=C(NC[C@@H]1CCC[C@@H](O)C1)c1ccc2ccccc2c1[O-] ZINC000304608786 382414062 /nfs/dbraw/zinc/41/40/62/382414062.db2.gz DMZILCMSXLVPOB-TZMCWYRMSA-N -1 1 299.370 2.826 20 0 CFADMM Cn1ccc2cccc(NC(=O)c3cncc([O-])c3)c21 ZINC000188437835 382414564 /nfs/dbraw/zinc/41/45/64/382414564.db2.gz PDNBDTSUTGUBNA-UHFFFAOYSA-N -1 1 267.288 2.531 20 0 CFADMM C[C@@H]1C[C@H](N=c2nc(C3CCCC3)[n-]s2)CN1C1CC1 ZINC000420599338 382419530 /nfs/dbraw/zinc/41/95/30/382419530.db2.gz LETBIOGGGJGHCB-PWSUYJOCSA-N -1 1 292.452 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2.708 20 0 CFADMM CO[C@H](CNC(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000378842643 382502952 /nfs/dbraw/zinc/50/29/52/382502952.db2.gz YVVHQPYMLFSSAT-OAHLLOKOSA-N -1 1 285.343 2.700 20 0 CFADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])[C@@H]1CCCCO1 ZINC000379306201 382504338 /nfs/dbraw/zinc/50/43/38/382504338.db2.gz UTNUUCQXZWXJQL-RNCFNFMXSA-N -1 1 283.755 2.733 20 0 CFADMM CC(C)[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCCO1 ZINC000294316547 382507002 /nfs/dbraw/zinc/50/70/02/382507002.db2.gz IMVSIROPJWKYME-AWEZNQCLSA-N -1 1 297.782 2.933 20 0 CFADMM CCCc1cc(=O)[n-]c(SC[C@H]2CCCC[C@H]2O)n1 ZINC000328389252 382546782 /nfs/dbraw/zinc/54/67/82/382546782.db2.gz XKIJEMNZBHWUFT-ZYHUDNBSSA-N -1 1 282.409 2.778 20 0 CFADMM CC(C)c1nc(=NCCc2cccc(F)c2F)o[n-]1 ZINC000346860726 382548981 /nfs/dbraw/zinc/54/89/81/382548981.db2.gz ADIOEIXOLNXPAG-UHFFFAOYSA-N -1 1 267.279 2.548 20 0 CFADMM CO[C@@H](C)c1nc(=N[C@@H]2CCOC3(CCCC3)C2)s[n-]1 ZINC000367178067 382560449 /nfs/dbraw/zinc/56/04/49/382560449.db2.gz 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382701645 /nfs/dbraw/zinc/70/16/45/382701645.db2.gz FHDIASZOTGVFHC-STQMWFEESA-N -1 1 285.343 2.843 20 0 CFADMM CCCCCS(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000195125167 382762336 /nfs/dbraw/zinc/76/23/36/382762336.db2.gz VECRWFWLCZWOHY-UHFFFAOYSA-N -1 1 297.355 2.575 20 0 CFADMM CCCc1nc(CSc2nc(CCC)cc(=O)[n-]2)no1 ZINC000194968117 382758788 /nfs/dbraw/zinc/75/87/88/382758788.db2.gz SPRMAGVWINZALJ-UHFFFAOYSA-N -1 1 294.380 2.763 20 0 CFADMM O=C1c2ccccc2C[C@H]1Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000195085040 382761457 /nfs/dbraw/zinc/76/14/57/382761457.db2.gz YHPPWPAIFIHPRR-CYBMUJFWSA-N -1 1 298.367 2.959 20 0 CFADMM C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000228492396 382846841 /nfs/dbraw/zinc/84/68/41/382846841.db2.gz RYZAQMVUIJWIPA-OAHLLOKOSA-N -1 1 295.766 2.572 20 0 CFADMM Cc1cc(CN2CCS[C@H](C)[C@H]2C)oc1C(=O)[O-] ZINC000228975939 382849506 /nfs/dbraw/zinc/84/95/06/382849506.db2.gz WHKMBFPAZLRAGD-NXEZZACHSA-N -1 1 269.366 2.612 20 0 CFADMM C[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)[C@H](C)C1 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CO[C@@H](C)c1nc(=NC2CCC(F)(F)CC2)s[n-]1 ZINC000337850079 382871559 /nfs/dbraw/zinc/87/15/59/382871559.db2.gz FMDKUYHZKJPYKA-ZETCQYMHSA-N -1 1 277.340 2.657 20 0 CFADMM Cc1ccc(F)c(CN[C@H](CC(=O)[O-])c2ccncc2)c1 ZINC000578206531 382901474 /nfs/dbraw/zinc/90/14/74/382901474.db2.gz WWQYOZUVGPJTSO-OAHLLOKOSA-N -1 1 288.322 2.835 20 0 CFADMM CCC[C@@H](C(=O)[O-])N1CCC[C@H]1c1ccc(COC)o1 ZINC000578660700 382942544 /nfs/dbraw/zinc/94/25/44/382942544.db2.gz RFUUEMYDBBKFKL-STQMWFEESA-N -1 1 281.352 2.816 20 0 CFADMM Cc1c(Cl)c(CNC2(C(=O)[O-])CCC(C)CC2)nn1C ZINC000421814973 382931221 /nfs/dbraw/zinc/93/12/21/382931221.db2.gz KYKNCXCQQFUSMR-UHFFFAOYSA-N -1 1 299.802 2.505 20 0 CFADMM O=C([O-])[C@H](NCc1cccc(F)c1F)c1ccc(O)cc1 ZINC000579066180 382979337 /nfs/dbraw/zinc/97/93/37/382979337.db2.gz BCFFHLVHJOZXAP-CQSZACIVSA-N -1 1 293.269 2.586 20 0 CFADMM O=C(NCCC1CC(F)(F)C1)c1c(F)ccc([O-])c1F ZINC000457190464 382983886 /nfs/dbraw/zinc/98/38/86/382983886.db2.gz RWXIPVRRXHGGJW-UHFFFAOYSA-N -1 1 291.244 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MGCXUYLSBVVPOJ-UTUOFQBUSA-N -1 1 281.377 2.734 20 0 CFADMM COc1cccc(Cl)c1CN([C@@H](C)C(=O)[O-])C1CC1 ZINC000448545939 383063606 /nfs/dbraw/zinc/06/36/06/383063606.db2.gz QDORHUMSRNSGNR-VIFPVBQESA-N -1 1 283.755 2.786 20 0 CFADMM C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000246249728 383069901 /nfs/dbraw/zinc/06/99/01/383069901.db2.gz JSSDRMMABXGHKR-DGCLKSJQSA-N -1 1 286.331 2.809 20 0 CFADMM C[C@H](F)CC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000339030980 383125968 /nfs/dbraw/zinc/12/59/68/383125968.db2.gz AMTDNGWIMOPSSN-ZETCQYMHSA-N -1 1 283.727 2.506 20 0 CFADMM C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1cncc([O-])c1 ZINC000458251630 383142476 /nfs/dbraw/zinc/14/24/76/383142476.db2.gz RWVRUTDVLWMSNX-LLVKDONJSA-N -1 1 288.322 2.630 20 0 CFADMM O=C(Nc1c[nH]nc1-c1ccccc1F)c1cncc([O-])c1 ZINC000338916542 383085049 /nfs/dbraw/zinc/08/50/49/383085049.db2.gz DHFRPHQTDOQSFH-UHFFFAOYSA-N -1 1 298.277 2.569 20 0 CFADMM CC(C)C[C@H](C)[N-]S(=O)(=O)c1sccc1F ZINC000338935349 383091202 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C[C@@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])cn1 ZINC000520416711 383255424 /nfs/dbraw/zinc/25/54/24/383255424.db2.gz PXRJCBCVWNEKLK-GFCCVEGCSA-N -1 1 282.343 2.727 20 0 CFADMM COc1ccc(Cn2[n-]c3c(c2=O)C[C@@H](C)CC3)cc1 ZINC000634597943 383259134 /nfs/dbraw/zinc/25/91/34/383259134.db2.gz ZOKLPRGZSABMIX-SMDDNHRTSA-N -1 1 272.348 2.830 20 0 CFADMM Cc1[n-]n(-c2ccc(-c3ccccc3)nn2)c(=O)c1C1CC1 ZINC000634600436 383261706 /nfs/dbraw/zinc/26/17/06/383261706.db2.gz HEPXZGLTPSAICS-INIZCTEOSA-N -1 1 292.342 2.892 20 0 CFADMM CCc1c(=O)n(-c2cccnn2)[n-]c1-c1cccc(C)c1 ZINC000634606745 383268259 /nfs/dbraw/zinc/26/82/59/383268259.db2.gz AFRCLGUZSALZCR-ZDUSSCGKSA-N -1 1 280.331 2.562 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3cc(C(F)(F)F)ccn3)c(=O)c21 ZINC000634608861 383269232 /nfs/dbraw/zinc/26/92/32/383269232.db2.gz OPHPSIIOVCAFCJ-CPCISQLKSA-N -1 1 283.253 2.849 20 0 CFADMM CCCc1c(C)[nH]n(-c2ccc(C(=O)[O-])cc2OC)c1=O ZINC000634611804 383272722 /nfs/dbraw/zinc/27/27/22/383272722.db2.gz FHBDFVXPRFYJNM-NSHDSACASA-N -1 1 290.319 2.532 20 0 CFADMM CC[C@@H](C)c1cc(=O)n(-c2ccc(C(=O)[O-])cc2F)[nH]1 ZINC000634618839 383278351 /nfs/dbraw/zinc/27/83/51/383278351.db2.gz GAPYAFGJNRHBQA-MRVPVSSYSA-N -1 1 278.283 2.663 20 0 CFADMM O=C([O-])COCCN1CCCC[C@H]1c1cccc(Cl)c1 ZINC000519412802 383215482 /nfs/dbraw/zinc/21/54/82/383215482.db2.gz NIPDXKSGCIJCTO-AWEZNQCLSA-N -1 1 297.782 2.968 20 0 CFADMM CCCc1c(C)[nH]n(-c2ccc(C(=O)[O-])cc2F)c1=O ZINC000634619065 383279201 /nfs/dbraw/zinc/27/92/01/383279201.db2.gz NRDBDDLMPXNROL-JTQLQIEISA-N -1 1 278.283 2.663 20 0 CFADMM C[C@@H]1CCC2=NN(c3ccc(C(=O)[O-])cc3F)C(=O)[C@@H]2C1 ZINC000634619174 383279446 /nfs/dbraw/zinc/27/94/46/383279446.db2.gz RDXPTNALCUBIEU-PSASIEDQSA-N -1 1 290.294 2.663 20 0 CFADMM C[C@@H]1CCc2[nH]n(-c3ccc(C(=O)[O-])cc3F)c(=O)c2C1 ZINC000634619174 383279448 /nfs/dbraw/zinc/27/94/48/383279448.db2.gz RDXPTNALCUBIEU-PSASIEDQSA-N -1 1 290.294 2.663 20 0 CFADMM CCCc1c(C)[n-]n(-c2cncc(Br)c2)c1=O ZINC000634620769 383280335 /nfs/dbraw/zinc/28/03/35/383280335.db2.gz ONPRFDFTKVADKZ-LLVKDONJSA-N -1 1 296.168 2.983 20 0 CFADMM CCCc1c(C)[n-]n([C@@H]2CCOC(C)(C)C2)c1=O ZINC000634621456 383280420 /nfs/dbraw/zinc/28/04/20/383280420.db2.gz HQWXSFBCIYZICM-VXGBXAGGSA-N -1 1 252.358 2.578 20 0 CFADMM CC(C)c1nnc(SCC(=O)c2ccc([O-])cc2)n1C ZINC000522391244 383336641 /nfs/dbraw/zinc/33/66/41/383336641.db2.gz KWPZZIMAFUXGBK-UHFFFAOYSA-N -1 1 291.376 2.619 20 0 CFADMM Cc1[n-]n([C@H](C)CCc2ccc3c(c2)OCO3)c(=O)c1C ZINC000634626636 383285580 /nfs/dbraw/zinc/28/55/80/383285580.db2.gz ITXYNJIYGLPHKG-GHMZBOCLSA-N -1 1 288.347 2.591 20 0 CFADMM O=c1c2c([n-]n1[C@@H]1CCSC1)CCCCCC2 ZINC000634628152 383287299 /nfs/dbraw/zinc/28/72/99/383287299.db2.gz SAGBJJQSZPYYAY-MNOVXSKESA-N -1 1 252.383 2.661 20 0 CFADMM COC(=O)c1c[n-]c(S[C@@H]2CCC(C)(C)C2)n1 ZINC000567587483 383290108 /nfs/dbraw/zinc/29/01/08/383290108.db2.gz MLNINKXVNUQRCJ-MRVPVSSYSA-N -1 1 254.355 2.867 20 0 CFADMM CCCc1[n-]n([C@@H]2CCOC2(C)C)c(=O)c1CC ZINC000634631833 383290782 /nfs/dbraw/zinc/29/07/82/383290782.db2.gz DHQLXWJXAUWALB-CMPLNLGQSA-N -1 1 252.358 2.578 20 0 CFADMM O=c1c2c([n-]n1[C@H]1CCc3c1cccc3F)CCC2 ZINC000634632605 383291155 /nfs/dbraw/zinc/29/11/55/383291155.db2.gz VHZBDNYZBSQZPY-FZMZJTMJSA-N -1 1 258.296 2.811 20 0 CFADMM C[C@@H]1CCc2c(=O)n(CCCOCc3ccccc3)[n-]c21 ZINC000634634698 383293909 /nfs/dbraw/zinc/29/39/09/383293909.db2.gz GYGXMLOKXNWUTF-UKRRQHHQSA-N -1 1 286.375 2.838 20 0 CFADMM O=S(=O)([N-][C@@H]1C[C@H]2C[C@H]2C1)c1c(F)cccc1Cl ZINC000425241410 383347169 /nfs/dbraw/zinc/34/71/69/383347169.db2.gz QGMGJDZGTOGZAF-AYMMMOKOSA-N -1 1 289.759 2.556 20 0 CFADMM C[C@H](CC(=O)[O-])N(C)Cc1nc2cc(Cl)ccc2n1C ZINC000522015526 383322784 /nfs/dbraw/zinc/32/27/84/383322784.db2.gz WSCAEOFJAXTLPE-SECBINFHSA-N -1 1 295.770 2.522 20 0 CFADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2F)C[C@H](C)S1 ZINC000568061706 383350589 /nfs/dbraw/zinc/35/05/89/383350589.db2.gz OFZWKBDGUCTNLV-UWVGGRQHSA-N -1 1 283.368 2.850 20 0 CFADMM C[C@H](CN(C)[C@@H](C)c1nc(-c2cccs2)no1)C(=O)[O-] ZINC000568060783 383351276 /nfs/dbraw/zinc/35/12/76/383351276.db2.gz OCPXPOCYXTUGJM-BDAKNGLRSA-N -1 1 295.364 2.512 20 0 CFADMM CCc1nc(S[C@H](C)c2noc(C)n2)[n-]c(=O)c1C ZINC000568273063 383386336 /nfs/dbraw/zinc/38/63/36/383386336.db2.gz ITSBHANBEUTULY-SSDOTTSWSA-N -1 1 280.353 2.598 20 0 CFADMM COc1cc([C@H](C)N=c2[n-]c(C(C)=O)c(C)s2)ccn1 ZINC000450529625 383449214 /nfs/dbraw/zinc/44/92/14/383449214.db2.gz WDYXRFXLQPVFIO-QMMMGPOBSA-N -1 1 291.376 2.653 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)[nH][n-]2)s1 ZINC000480696074 383419403 /nfs/dbraw/zinc/41/94/03/383419403.db2.gz SXXYOQIRKOJBQJ-MSRIBSCDSA-N -1 1 287.388 2.853 20 0 CFADMM O=S(=O)([N-]CC1CC=CC1)c1cc2ccccc2o1 ZINC000528470875 383547940 /nfs/dbraw/zinc/54/79/40/383547940.db2.gz OYXHCZLZXZTDHT-UHFFFAOYSA-N -1 1 277.345 2.677 20 0 CFADMM COCc1nc(=NC[C@@H]2CCCC(C)(C)C2)s[n-]1 ZINC000450924869 383551222 /nfs/dbraw/zinc/55/12/22/383551222.db2.gz GZJBZOOJYQDESW-SNVBAGLBSA-N -1 1 269.414 2.735 20 0 CFADMM CCC(C)(C)[N-]S(=O)(=O)c1sccc1Cl ZINC000450967184 383572218 /nfs/dbraw/zinc/57/22/18/383572218.db2.gz HOGDDWCWIPIRPY-UHFFFAOYSA-N -1 1 267.803 2.868 20 0 CFADMM COC(C)(C)CS(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000570508880 383609388 /nfs/dbraw/zinc/60/93/88/383609388.db2.gz AEDIXDQFIGWLGK-UHFFFAOYSA-N -1 1 295.763 2.646 20 0 CFADMM CCc1cnc([N-]C(=O)c2ocnc2C(F)(F)F)s1 ZINC000635636406 383611032 /nfs/dbraw/zinc/61/10/32/383611032.db2.gz GXZHTFOMMGQAPL-UHFFFAOYSA-N -1 1 291.254 2.965 20 0 CFADMM C[C@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)N(C)C ZINC000635753055 383638855 /nfs/dbraw/zinc/63/88/55/383638855.db2.gz JUSUQHZCJYENDL-ZCFIWIBFSA-N -1 1 277.151 2.588 20 0 CFADMM CC(C)c1nc([C@H](C)N=c2nc(C(C)(C)C)[n-]s2)n[nH]1 ZINC000489892664 383641734 /nfs/dbraw/zinc/64/17/34/383641734.db2.gz XSWZPLLFPYYSQM-QMMMGPOBSA-N -1 1 294.428 2.672 20 0 CFADMM CC(C)[C@@H](C)N(C(=O)C(=O)c1ccc([O-])cc1)C1CC1 ZINC000280867861 195008060 /nfs/dbraw/zinc/00/80/60/195008060.db2.gz DZUCVSUQRGQZIH-LLVKDONJSA-N -1 1 275.348 2.610 20 0 CFADMM C[C@H]1CSC[C@H]1NC(=O)N=c1[n-]sc2ccccc21 ZINC000640338726 383765437 /nfs/dbraw/zinc/76/54/37/383765437.db2.gz GPOMZGKTEKZQFN-WCBMZHEXSA-N -1 1 293.417 2.591 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)N(C1CC1)C1CC1 ZINC000640338560 383765768 /nfs/dbraw/zinc/76/57/68/383765768.db2.gz AOLYWTFEFWWBAG-UHFFFAOYSA-N -1 1 273.361 2.877 20 0 CFADMM CCN(CC1CC1)C(=O)N=c1[n-]sc2ccccc21 ZINC000640339197 383765782 /nfs/dbraw/zinc/76/57/82/383765782.db2.gz NDEBVLQFCFCSGC-UHFFFAOYSA-N -1 1 275.377 2.982 20 0 CFADMM CCN(C(=O)N=c1[n-]sc2ccccc21)C1CC1 ZINC000640342060 383766618 /nfs/dbraw/zinc/76/66/18/383766618.db2.gz MDEOULBIPJIJQD-UHFFFAOYSA-N -1 1 261.350 2.734 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)N[C@@H]1CC=CCC1 ZINC000640341659 383766840 /nfs/dbraw/zinc/76/68/40/383766840.db2.gz WIKWQGVOYAEDFO-SNVBAGLBSA-N -1 1 273.361 2.948 20 0 CFADMM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1ccoc1Cl ZINC000636357570 383773608 /nfs/dbraw/zinc/77/36/08/383773608.db2.gz HGEYKTLLGYPJQC-SSDOTTSWSA-N -1 1 299.739 2.888 20 0 CFADMM COc1c(Cl)cc(Cl)cc1CN(C)CCC(=O)[O-] ZINC000263408436 383663111 /nfs/dbraw/zinc/66/31/11/383663111.db2.gz KPJLECLGVDFHLE-UHFFFAOYSA-N -1 1 292.162 2.909 20 0 CFADMM CCCN(CC(=O)[O-])Cc1cc2cc(OC)ccc2o1 ZINC000263423236 383664849 /nfs/dbraw/zinc/66/48/49/383664849.db2.gz PNNSRNOBGQELAF-UHFFFAOYSA-N -1 1 277.320 2.738 20 0 CFADMM O=C([O-])c1cccc(CN2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000263488969 383671106 /nfs/dbraw/zinc/67/11/06/383671106.db2.gz QKTJCQYYHDWHGZ-OAHLLOKOSA-N -1 1 285.347 2.835 20 0 CFADMM O=S(=O)([N-]CC1=CCCCC1)c1cccc(F)c1F ZINC000451636405 383672347 /nfs/dbraw/zinc/67/23/47/383672347.db2.gz BPNIJYFKNBBJFZ-UHFFFAOYSA-N -1 1 287.331 2.744 20 0 CFADMM CCO[C@H](C)c1ncc(C(=O)[N-]c2conc2C)s1 ZINC000640487084 383810279 /nfs/dbraw/zinc/81/02/79/383810279.db2.gz XNURVAHNFPIAOT-MRVPVSSYSA-N -1 1 281.337 2.789 20 0 CFADMM CCN(C(=O)c1csc(=NC2CC2)[n-]1)[C@H](C)C(C)C ZINC000572445016 383781995 /nfs/dbraw/zinc/78/19/95/383781995.db2.gz PJFNQSULCRBSSA-SNVBAGLBSA-N -1 1 281.425 2.646 20 0 CFADMM CC(C)=CC[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000572479083 383785259 /nfs/dbraw/zinc/78/52/59/383785259.db2.gz CILQIMUYLNFTBE-UHFFFAOYSA-N -1 1 282.390 2.541 20 0 CFADMM O=C(NC1(C(F)F)CC1)c1ccc(Cl)cc1[O-] ZINC000436512167 383826647 /nfs/dbraw/zinc/82/66/47/383826647.db2.gz MDZCEODBLCFJLQ-UHFFFAOYSA-N -1 1 261.655 2.573 20 0 CFADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000530896427 383802346 /nfs/dbraw/zinc/80/23/46/383802346.db2.gz VTIXUXJDXJHDGC-JYAVWHMHSA-N -1 1 283.331 2.767 20 0 CFADMM C[C@@H](Cc1ccncc1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000436576725 383842062 /nfs/dbraw/zinc/84/20/62/383842062.db2.gz RKIGECZTVBZPQW-JTQLQIEISA-N -1 1 290.750 2.802 20 0 CFADMM COC1CCC(CNC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436578644 383845308 /nfs/dbraw/zinc/84/53/08/383845308.db2.gz RZKLLUGSXSOIHC-UHFFFAOYSA-N -1 1 297.782 2.981 20 0 CFADMM CC[C@@H](C)[C@](C)(O)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000436588891 383847478 /nfs/dbraw/zinc/84/74/78/383847478.db2.gz JAAHPYKVWCLKLD-YMTOWFKASA-N -1 1 285.771 2.573 20 0 CFADMM O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000436586990 383847641 /nfs/dbraw/zinc/84/76/41/383847641.db2.gz CMAUWPVGAHROML-WFASDCNBSA-N -1 1 285.318 2.892 20 0 CFADMM CO[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000436602754 383853100 /nfs/dbraw/zinc/85/31/00/383853100.db2.gz GRHDVUXZNFIITA-NOZJJQNGSA-N -1 1 283.755 2.591 20 0 CFADMM O=C(NCCC1(F)CCC1)c1c([O-])cccc1F ZINC000436719788 383880394 /nfs/dbraw/zinc/88/03/94/383880394.db2.gz BIQGUYOCSCONIH-UHFFFAOYSA-N -1 1 255.264 2.543 20 0 CFADMM O=C(Nc1ccc2c(c1)CCC2)C(=O)c1ccc([O-])cc1 ZINC000436659011 383866213 /nfs/dbraw/zinc/86/62/13/383866213.db2.gz NJMBNBLJDNAJNM-UHFFFAOYSA-N -1 1 281.311 2.702 20 0 CFADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)[C@@H](C)c1ccccc1 ZINC000436706631 383876169 /nfs/dbraw/zinc/87/61/69/383876169.db2.gz VOPASJOBNDRVDU-OLZOCXBDSA-N -1 1 297.354 2.883 20 0 CFADMM CCC(CC)[C@H](C)C(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000640656880 383881668 /nfs/dbraw/zinc/88/16/68/383881668.db2.gz WOEIXOPQBNFKRE-VIFPVBQESA-N -1 1 297.424 2.593 20 0 CFADMM CSc1nc(CNC(=O)C[C@@H](C)CC(C)C)cc(=O)[n-]1 ZINC000640659539 383882260 /nfs/dbraw/zinc/88/22/60/383882260.db2.gz YQQSMJYMROWYTK-JTQLQIEISA-N -1 1 297.424 2.593 20 0 CFADMM C[C@H]1CCC[C@]1(O)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000436728165 383882892 /nfs/dbraw/zinc/88/28/92/383882892.db2.gz ILCJKZJLNCJGJI-SGTLLEGYSA-N -1 1 299.370 2.826 20 0 CFADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H]1CC1(C)C ZINC000436729545 383883460 /nfs/dbraw/zinc/88/34/60/383883460.db2.gz RUGZICDRXZUEDT-LLVKDONJSA-N -1 1 253.729 2.916 20 0 CFADMM O=C(NCc1cccc2cc[nH]c21)c1c([O-])cccc1F ZINC000436739045 383884717 /nfs/dbraw/zinc/88/47/17/383884717.db2.gz MYDROTXUESSXLM-UHFFFAOYSA-N -1 1 284.290 2.943 20 0 CFADMM CC(C)[C@@H](O)C(C)(C)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000436739760 383887690 /nfs/dbraw/zinc/88/76/90/383887690.db2.gz OSJACZRIZVCGDU-CYBMUJFWSA-N -1 1 299.798 2.819 20 0 CFADMM C[C@H]1Cc2ccccc2N1C(=O)C(=O)c1ccc([O-])cc1 ZINC000436765132 383893546 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/nfs/dbraw/zinc/94/29/18/542942918.db2.gz JSAIBBLOCSFSFM-UHFFFAOYSA-N -1 1 297.232 2.827 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CC=CCC1 ZINC000166020458 542946003 /nfs/dbraw/zinc/94/60/03/542946003.db2.gz HCDRRCSMJQNLRK-UHFFFAOYSA-N -1 1 253.301 2.948 20 0 CFADMM CC(F)(F)C[N-]S(=O)(=O)CC12CCC(CC1)CC2 ZINC000555408027 394972557 /nfs/dbraw/zinc/97/25/57/394972557.db2.gz XXPBWDPKQXKOOZ-UHFFFAOYSA-N -1 1 281.368 2.531 20 0 CFADMM CC(C)[C@@H]1N(C(=O)c2cccc3nn[nH]c32)CC12CCC2 ZINC000557368536 395034846 /nfs/dbraw/zinc/03/48/46/395034846.db2.gz BHGQHFWSEORXBD-AWEZNQCLSA-N -1 1 284.363 2.609 20 0 CFADMM CC1(C)C[C@H](NC(=O)c2cncc([O-])c2)c2ccccc21 ZINC000178767953 543004329 /nfs/dbraw/zinc/00/43/29/543004329.db2.gz XIXJGEPWALFUCO-HNNXBMFYSA-N -1 1 282.343 2.940 20 0 CFADMM O=C(NC1CCC(CO)CC1)c1ccc2ccccc2c1[O-] ZINC000181063814 543018782 /nfs/dbraw/zinc/01/87/82/543018782.db2.gz KSKJECBQGFVPKP-UHFFFAOYSA-N -1 1 299.370 2.826 20 0 CFADMM C[C@@H]1CCN(c2ccnc3cc(F)ccc32)C[C@@H]1C(=O)[O-] ZINC000647457216 395340737 /nfs/dbraw/zinc/34/07/37/395340737.db2.gz ZAGSUDVJFBGJSY-MFKMUULPSA-N -1 1 288.322 2.921 20 0 CFADMM C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])CC2(CCCC2)O1 ZINC000649179599 395448497 /nfs/dbraw/zinc/44/84/97/395448497.db2.gz PHPRDVQXPHVAFM-NSHDSACASA-N -1 1 293.338 2.705 20 0 CFADMM O=C(NCc1nc2ccccc2o1)c1ccc([O-])cc1F ZINC000647757225 395426089 /nfs/dbraw/zinc/42/60/89/395426089.db2.gz XTDJTMBBEUZZRS-UHFFFAOYSA-N -1 1 286.262 2.603 20 0 CFADMM CC(C)[C@H]1N(C(=O)c2cncc([O-])c2)CC12CC=CC2 ZINC000649139166 395437037 /nfs/dbraw/zinc/43/70/37/395437037.db2.gz WATCBWHMKGZGFG-CQSZACIVSA-N -1 1 272.348 2.604 20 0 CFADMM O=C(NC/C=C/c1cccnc1)c1c(F)ccc([O-])c1F ZINC000647813050 395439532 /nfs/dbraw/zinc/43/95/32/395439532.db2.gz RVMAYDRDOKDLFX-DUXPYHPUSA-N -1 1 290.269 2.509 20 0 CFADMM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000647816012 395439915 /nfs/dbraw/zinc/43/99/15/395439915.db2.gz VQXKHMDEXJDQED-LBPRGKRZSA-N -1 1 289.335 2.528 20 0 CFADMM Cc1nc(CNCc2cccc3c2CCC3)ccc1C(=O)[O-] ZINC000649505102 395512314 /nfs/dbraw/zinc/51/23/14/395512314.db2.gz VHVVHTMDSBSWJD-UHFFFAOYSA-N -1 1 296.370 2.867 20 0 CFADMM CSc1nsc([N-]C(=O)c2coc(C3CCC3)n2)n1 ZINC000193177463 543087778 /nfs/dbraw/zinc/08/77/78/543087778.db2.gz ISBQOGRODKTRGA-UHFFFAOYSA-N -1 1 296.377 2.768 20 0 CFADMM Cc1ncccc1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000315377877 413099646 /nfs/dbraw/zinc/09/96/46/413099646.db2.gz RMIBIIFAWVKDJG-MRXNPFEDSA-N -1 1 282.343 2.574 20 0 CFADMM Cc1c2cccc(C)c2oc1C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000650513150 397817543 /nfs/dbraw/zinc/81/75/43/397817543.db2.gz JLHODWXRNULPDQ-LLVKDONJSA-N -1 1 261.321 2.955 20 0 CFADMM Cc1c2cccc(C)c2oc1CN(C)[C@H](C)C(=O)[O-] ZINC000650513150 397817544 /nfs/dbraw/zinc/81/75/44/397817544.db2.gz JLHODWXRNULPDQ-LLVKDONJSA-N -1 1 261.321 2.955 20 0 CFADMM Cc1cc(NC2(CC(=O)[O-])CCC2)c2cc(F)ccc2n1 ZINC000650776568 397892819 /nfs/dbraw/zinc/89/28/19/397892819.db2.gz AOMRLUAFBJLIEG-UHFFFAOYSA-N -1 1 288.322 2.914 20 0 CFADMM Cc1ccnc(NC[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000650776877 397893200 /nfs/dbraw/zinc/89/32/00/397893200.db2.gz LOIKQKPFSHXZTA-MRXNPFEDSA-N -1 1 270.332 2.844 20 0 CFADMM CC(C)O[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000404507540 413205543 /nfs/dbraw/zinc/20/55/43/413205543.db2.gz BRXYTYDUNPXCGV-LBPRGKRZSA-N -1 1 281.327 2.561 20 0 CFADMM Cc1ccc(Cl)c(Oc2nc3c(cnn3C)c(=O)[n-]2)c1 ZINC000356486101 155280414 /nfs/dbraw/zinc/28/04/14/155280414.db2.gz QZAPAGGSQIILPB-UHFFFAOYSA-N -1 1 290.710 2.823 20 0 CFADMM CC(C)[C@@H](CO)[C@H](NC(=O)c1ccc([O-])c(F)c1)C(C)C ZINC000651059300 413287220 /nfs/dbraw/zinc/28/72/20/413287220.db2.gz KWINNRYRQDBBRB-IUODEOHRSA-N -1 1 297.370 2.550 20 0 CFADMM CC(C)[C@@H](NC(=O)c1ccc([O-])c(F)c1)[C@@H](CO)C(C)C ZINC000651059301 413287920 /nfs/dbraw/zinc/28/79/20/413287920.db2.gz KWINNRYRQDBBRB-SWLSCSKDSA-N -1 1 297.370 2.550 20 0 CFADMM C[C@H](CN=c1nc(C(F)(F)F)[n-]s1)C(F)(F)F ZINC000343051763 154097349 /nfs/dbraw/zinc/09/73/49/154097349.db2.gz SDHUFDUDBMGQGX-GSVOUGTGSA-N -1 1 279.209 2.589 20 0 CFADMM Cc1c(C(=O)Nc2ccc([O-])c(Cl)c2)nnn1C(C)C ZINC000343293748 154170079 /nfs/dbraw/zinc/17/00/79/154170079.db2.gz GIWZKIVBUVBAGB-UHFFFAOYSA-N -1 1 294.742 2.779 20 0 CFADMM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)s1)C(F)(F)F ZINC000345623926 154222514 /nfs/dbraw/zinc/22/25/14/154222514.db2.gz DRGMQPAEUUXHTF-SSDOTTSWSA-N -1 1 287.328 2.676 20 0 CFADMM CC(C)(NC(=O)c1cncc([O-])c1)c1ccccc1F ZINC000345830970 154278039 /nfs/dbraw/zinc/27/80/39/154278039.db2.gz KFKCXXHAQMARBY-UHFFFAOYSA-N -1 1 274.295 2.591 20 0 CFADMM CSc1ccccc1CN(C)C(=O)c1cncc([O-])c1 ZINC000355442273 155009366 /nfs/dbraw/zinc/00/93/66/155009366.db2.gz IMUZWHNEOMBUQF-UHFFFAOYSA-N -1 1 288.372 2.781 20 0 CFADMM CC(C)(F)CC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000657141746 413316243 /nfs/dbraw/zinc/31/62/43/413316243.db2.gz OIIDHYPCPFCQIG-UHFFFAOYSA-N -1 1 297.754 2.896 20 0 CFADMM Cc1cc2cn[nH]c2c(C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000362749029 156079144 /nfs/dbraw/zinc/07/91/44/156079144.db2.gz ULLUQCAFOFRVPK-UHFFFAOYSA-N -1 1 295.298 2.822 20 0 CFADMM C[C@@H](O[N-]C(=O)[C@H]1CCCc2[nH]cnc21)c1ccccc1 ZINC000366290621 156233336 /nfs/dbraw/zinc/23/33/36/156233336.db2.gz VATQVRSBQGQGTG-YPMHNXCESA-N -1 1 285.347 2.639 20 0 CFADMM CO[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000374717256 157153278 /nfs/dbraw/zinc/15/32/78/157153278.db2.gz QZCZUDCAOYBRFA-LLVKDONJSA-N -1 1 283.755 2.687 20 0 CFADMM COC[C@H]1CCCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000375137768 157200550 /nfs/dbraw/zinc/20/05/50/157200550.db2.gz XDWGIBUFSXSYGK-NSHDSACASA-N -1 1 297.782 2.934 20 0 CFADMM Cc1cnc(C(=O)N2CCC(C(C)C)CC2)c([O-])c1 ZINC000408106700 157380180 /nfs/dbraw/zinc/38/01/80/157380180.db2.gz LMWKBGQXMXGOOS-UHFFFAOYSA-N -1 1 262.353 2.604 20 0 CFADMM Cc1cnc(C(=O)N2CCC(C)(C(C)C)CC2)c([O-])c1 ZINC000408376345 157394104 /nfs/dbraw/zinc/39/41/04/157394104.db2.gz SAQQTMIRZBCKGK-UHFFFAOYSA-N -1 1 276.380 2.994 20 0 CFADMM Cc1cnc(C(=O)N2CCCC[C@@H]2C(C)C)c([O-])c1 ZINC000408370147 157394441 /nfs/dbraw/zinc/39/44/41/157394441.db2.gz HKSCZOVTLIXAKY-GFCCVEGCSA-N -1 1 262.353 2.746 20 0 CFADMM CC1(C)C[C@H](Sc2nc(C(F)(F)F)cc(=O)[n-]2)CO1 ZINC000657249051 413361804 /nfs/dbraw/zinc/36/18/04/413361804.db2.gz ASIUYDLXHOISMZ-LURJTMIESA-N -1 1 294.298 2.861 20 0 CFADMM Cc1ncsc1CSc1ncc(C)c(=O)[n-]1 ZINC000657261931 413378366 /nfs/dbraw/zinc/37/83/66/413378366.db2.gz YTGZVRJIFZESFB-UHFFFAOYSA-N -1 1 253.352 2.548 20 0 CFADMM Cc1cnc(SCc2noc3c2CCCC3)[n-]c1=O ZINC000657261769 413379986 /nfs/dbraw/zinc/37/99/86/413379986.db2.gz RORVFBYRLZSHKH-UHFFFAOYSA-N -1 1 277.349 2.650 20 0 CFADMM Cc1noc(-c2cccnc2-c2cc(F)ccc2[O-])n1 ZINC001240695997 782010938 /nfs/dbraw/zinc/01/09/38/782010938.db2.gz VMDSDAPAJXVLAI-UHFFFAOYSA-N -1 1 271.251 2.952 20 0 CFADMM O=S(=O)([N-][C@@H]1CCC[C@H]1F)c1cc(Cl)ccc1F ZINC000339117281 161579704 /nfs/dbraw/zinc/57/97/04/161579704.db2.gz CZQROAYBCHDNBP-PSASIEDQSA-N -1 1 295.738 2.648 20 0 CFADMM CCCCOc1ccc(C(=O)Nc2ccncc2[O-])cc1 ZINC000345382401 162239266 /nfs/dbraw/zinc/23/92/66/162239266.db2.gz UOHLUVQZNMZBHO-UHFFFAOYSA-N -1 1 286.331 2.640 20 0 CFADMM CC(C)CC[C@H](C)NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000349804635 163018160 /nfs/dbraw/zinc/01/81/60/163018160.db2.gz VTFZFOSRRXQRCN-JTQLQIEISA-N -1 1 281.425 2.694 20 0 CFADMM Cc1cnc(CSc2nc(C(F)F)cc(=O)[n-]2)cn1 ZINC000351290279 163125196 /nfs/dbraw/zinc/12/51/96/163125196.db2.gz PJCNBGPKVRXOCC-UHFFFAOYSA-N -1 1 284.291 2.511 20 0 CFADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000351869579 163208617 /nfs/dbraw/zinc/20/86/17/163208617.db2.gz XADVJLGAIDDYHF-UHFFFAOYSA-N -1 1 295.335 2.773 20 0 CFADMM O=c1cc(C(F)F)nc(SCc2ccccn2)[n-]1 ZINC000351883741 163210648 /nfs/dbraw/zinc/21/06/48/163210648.db2.gz NDNPSCIFLHZXBU-UHFFFAOYSA-N -1 1 269.276 2.807 20 0 CFADMM C[C@@H](c1ccccc1Br)N(C)CCC(=O)[O-] ZINC000082717753 287149499 /nfs/dbraw/zinc/14/94/99/287149499.db2.gz GMGBJGFVIINUTM-VIFPVBQESA-N -1 1 286.169 2.917 20 0 CFADMM O=C(NCC1CCC1)c1cc(Br)ccc1[O-] ZINC000031441235 171638221 /nfs/dbraw/zinc/63/82/21/171638221.db2.gz DVNORZXMLQXRRG-UHFFFAOYSA-N -1 1 284.153 2.685 20 0 CFADMM C[C@@H]1CCCc2ncc(C(=O)Nc3c([O-])cccc3F)n21 ZINC000651586440 413520477 /nfs/dbraw/zinc/52/04/77/413520477.db2.gz AEKCRUPVYSJXHR-SECBINFHSA-N -1 1 289.310 2.877 20 0 CFADMM C[C@H]1CCCc2ncc(C(=O)Nc3c([O-])cccc3F)n21 ZINC000651586443 413522309 /nfs/dbraw/zinc/52/23/09/413522309.db2.gz AEKCRUPVYSJXHR-VIFPVBQESA-N -1 1 289.310 2.877 20 0 CFADMM C[C@H](C1CC1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000035207596 172052632 /nfs/dbraw/zinc/05/26/32/172052632.db2.gz CBMJCAOBERSVKT-MRVPVSSYSA-N -1 1 253.729 2.916 20 0 CFADMM C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1ccc([O-])c(F)c1F ZINC000654305649 413800086 /nfs/dbraw/zinc/80/00/86/413800086.db2.gz BOOQDEZXMRABLC-HTQZYQBOSA-N -1 1 283.274 2.614 20 0 CFADMM CCc1ccc([C@@H]2CCC[N@@H+]2[C@H](CC)C(=O)[O-])o1 ZINC000652416483 413935384 /nfs/dbraw/zinc/93/53/84/413935384.db2.gz JWNRBKIHMMNOEJ-NEPJUHHUSA-N -1 1 251.326 2.842 20 0 CFADMM CC[C@H]1C[N@@H+](Cc2ccc(F)cc2C(=O)[O-])CCS1 ZINC000652418788 413935976 /nfs/dbraw/zinc/93/59/76/413935976.db2.gz MDVDDZZCPLAPME-LBPRGKRZSA-N -1 1 283.368 2.851 20 0 CFADMM CC[C@H]1CN(Cc2ccc(F)cc2C(=O)[O-])CCS1 ZINC000652418788 413935981 /nfs/dbraw/zinc/93/59/81/413935981.db2.gz MDVDDZZCPLAPME-LBPRGKRZSA-N -1 1 283.368 2.851 20 0 CFADMM Cc1cc(CN2CCS[C@H](C(C)C)C2)oc1C(=O)[O-] ZINC000652438938 413953907 /nfs/dbraw/zinc/95/39/07/413953907.db2.gz ODSJALQEBAPSCG-LBPRGKRZSA-N -1 1 283.393 2.860 20 0 CFADMM Cc1ncsc1CN(CC(=O)[O-])C1CCCCC1 ZINC000652482178 413980370 /nfs/dbraw/zinc/98/03/70/413980370.db2.gz QQKKNJRVRDBZBK-UHFFFAOYSA-N -1 1 268.382 2.671 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC2(CCOCC2)CC1 ZINC000285790118 196399474 /nfs/dbraw/zinc/39/94/74/196399474.db2.gz UPINOKTUDWDTAM-UHFFFAOYSA-N -1 1 293.338 2.564 20 0 CFADMM O=C(NCCC1(CO)CCC1)c1cc2ccccc2cc1[O-] ZINC000652936946 414134531 /nfs/dbraw/zinc/13/45/31/414134531.db2.gz LQFYLKJAFPPRMB-UHFFFAOYSA-N -1 1 299.370 2.828 20 0 CFADMM C[C@@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000665090778 414096720 /nfs/dbraw/zinc/09/67/20/414096720.db2.gz WGQIHHUQWTXWSS-LLVKDONJSA-N -1 1 270.332 2.813 20 0 CFADMM CC[C@@H](NC(=O)c1cc(F)ccc1[O-])[C@H]1CCCCO1 ZINC000655350998 414208143 /nfs/dbraw/zinc/20/81/43/414208143.db2.gz VMYVMYSTGGAMAG-TZMCWYRMSA-N -1 1 281.327 2.609 20 0 CFADMM C[C@@H](CNC(=O)c1ccc([O-])c(F)c1)CC(F)(F)F ZINC000665651229 414394678 /nfs/dbraw/zinc/39/46/78/414394678.db2.gz LSZLMRABZIJUOV-SSDOTTSWSA-N -1 1 279.233 2.850 20 0 CFADMM O=C([O-])c1coc(CN2CCC[C@H](OC3CCC3)C2)c1 ZINC000656191579 414529379 /nfs/dbraw/zinc/52/93/79/414529379.db2.gz NMJQORDGDUJORQ-ZDUSSCGKSA-N -1 1 279.336 2.511 20 0 CFADMM CCC(CC)n1ccc(CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC000659801350 414561294 /nfs/dbraw/zinc/56/12/94/414561294.db2.gz FYRSVYJFIHJYRU-VDISTLRHSA-N -1 1 279.384 2.539 20 0 CFADMM CC[C@@H]1CCC[C@H](C)N1Cc1nc(C(=O)[O-])cs1 ZINC000659803668 414563211 /nfs/dbraw/zinc/56/32/11/414563211.db2.gz LVEMZENIDIXUKU-VHSXEESVSA-N -1 1 268.382 2.994 20 0 CFADMM O=C([O-])C[C@H]1CCCCN1Cc1cc(-c2ccco2)on1 ZINC000038027814 174015092 /nfs/dbraw/zinc/01/50/92/174015092.db2.gz VPBMTUXIASGSLS-GFCCVEGCSA-N -1 1 290.319 2.764 20 0 CFADMM O=C(NCCc1ccc(O)cc1)c1ccc(Cl)cc1[O-] ZINC000038031804 174027321 /nfs/dbraw/zinc/02/73/21/174027321.db2.gz DPSZBERUXLUNQN-UHFFFAOYSA-N -1 1 291.734 2.724 20 0 CFADMM COC[C@@H](C)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000044479223 175179216 /nfs/dbraw/zinc/17/92/16/175179216.db2.gz ZVZIGLQSNKBREH-NSHDSACASA-N -1 1 273.332 2.558 20 0 CFADMM CCc1cnc(CN(C)C(=O)c2cc(F)ccc2[O-])s1 ZINC000080035586 177599289 /nfs/dbraw/zinc/59/92/89/177599289.db2.gz KDKQNIKVJZKUNC-UHFFFAOYSA-N -1 1 294.351 2.822 20 0 CFADMM COCCc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000191704594 227133259 /nfs/dbraw/zinc/13/32/59/227133259.db2.gz MNCMEMASALSANY-UHFFFAOYSA-N -1 1 289.306 2.973 20 0 CFADMM C[C@H]1Cc2ccccc2N1C(=O)c1ccc(O)cc1[O-] ZINC000192886437 227337628 /nfs/dbraw/zinc/33/76/28/227337628.db2.gz ACOTTXDRUVHOMB-JTQLQIEISA-N -1 1 269.300 2.689 20 0 CFADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000826559545 782024280 /nfs/dbraw/zinc/02/42/80/782024280.db2.gz MFOVMVZXWYVQPW-ZWADGADFSA-N -1 1 285.290 2.668 20 0 CFADMM C[C@@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C[C@H]1C ZINC000289383852 287563555 /nfs/dbraw/zinc/56/35/55/287563555.db2.gz CXQGQFMHANDTAX-RKDXNWHRSA-N -1 1 269.291 2.789 20 0 CFADMM C[C@H](CNc1ccccc1)NC(=O)c1cc(F)ccc1[O-] ZINC000161755265 261152516 /nfs/dbraw/zinc/15/25/16/261152516.db2.gz IHKBEIMBDHILNM-LLVKDONJSA-N -1 1 288.322 2.762 20 0 CFADMM CC1([N-]S(=O)(=O)c2cc(F)ccc2F)CCCCC1 ZINC000497772524 262204841 /nfs/dbraw/zinc/20/48/41/262204841.db2.gz HTOUPXMTNXESQK-UHFFFAOYSA-N -1 1 289.347 2.966 20 0 CFADMM COC[C@H]([N-]c1nnc(C2CC2)o1)c1ccc(C)o1 ZINC000278381493 263047683 /nfs/dbraw/zinc/04/76/83/263047683.db2.gz LPUONCWIMQTBEK-JTQLQIEISA-N -1 1 263.297 2.648 20 0 CFADMM COC[C@@H]([N-]c1nnc(C2CC2)o1)c1ccc(C)o1 ZINC000278381495 263047847 /nfs/dbraw/zinc/04/78/47/263047847.db2.gz LPUONCWIMQTBEK-SNVBAGLBSA-N -1 1 263.297 2.648 20 0 CFADMM CCC[C@@H]1CCCC[C@H]1NC(=O)c1cncc([O-])c1 ZINC000518988854 265281966 /nfs/dbraw/zinc/28/19/66/265281966.db2.gz KYGNKKPKLSCRJV-BXUZGUMPSA-N -1 1 262.353 2.876 20 0 CFADMM CCc1cc(=O)[n-]c(SCC[C@@H]2CCCCO2)n1 ZINC000519681500 265538870 /nfs/dbraw/zinc/53/88/70/265538870.db2.gz YYBWSFLMRZMVCW-NSHDSACASA-N -1 1 268.382 2.796 20 0 CFADMM C[C@H]1COCC[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192812127 270234594 /nfs/dbraw/zinc/23/45/94/270234594.db2.gz WQWWOBMUVFNDHJ-WPRPVWTQSA-N -1 1 269.728 2.657 20 0 CFADMM CC(C)(CNC(=O)c1cncc([O-])c1)C1=CCCC1 ZINC000312269353 270289428 /nfs/dbraw/zinc/28/94/28/270289428.db2.gz IFOJZORNRHWOJI-UHFFFAOYSA-N -1 1 260.337 2.654 20 0 CFADMM C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000516188636 270379013 /nfs/dbraw/zinc/37/90/13/270379013.db2.gz MYHZXIDYGUHEPX-BONVTDFDSA-N -1 1 280.368 2.830 20 0 CFADMM CN(Cc1nc2c(s1)CCCC2)Cc1ncccc1[O-] ZINC000516513107 270383298 /nfs/dbraw/zinc/38/32/98/270383298.db2.gz MGHVNFSGHKUGPG-UHFFFAOYSA-N -1 1 289.404 2.755 20 0 CFADMM CC(C)c1nc([C@H]2CCCN2Cc2ncccc2[O-])no1 ZINC000517202452 270399384 /nfs/dbraw/zinc/39/93/84/270399384.db2.gz IKEBNILFERKRIH-GFCCVEGCSA-N -1 1 288.351 2.631 20 0 CFADMM O=C(NCCc1ccc(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000526063383 270482140 /nfs/dbraw/zinc/48/21/40/270482140.db2.gz VMVAXBMAQYCJBA-UHFFFAOYSA-N -1 1 295.260 2.782 20 0 CFADMM C[C@H]1CC[C@@H](CCC(=O)Nc2cccc(F)c2[O-])O1 ZINC000530005558 270741756 /nfs/dbraw/zinc/74/17/56/270741756.db2.gz MIRVRCKKBFDCBX-UWVGGRQHSA-N -1 1 267.300 2.818 20 0 CFADMM CC(C)(C)[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)CCO1 ZINC000289985872 277240072 /nfs/dbraw/zinc/24/00/72/277240072.db2.gz BXCATFMFGXOJIR-NSHDSACASA-N -1 1 299.317 2.558 20 0 CFADMM CC(C)c1cc(C(=O)Nc2nc(Cl)ccc2[O-])nn1C ZINC000188361974 278018509 /nfs/dbraw/zinc/01/85/09/278018509.db2.gz ABZDPIDMASCVGZ-UHFFFAOYSA-N -1 1 294.742 2.550 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])c2ccccc2O1 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O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)C1CCC1 ZINC000563779343 290173713 /nfs/dbraw/zinc/17/37/13/290173713.db2.gz LQXCBDVIENAYNK-UHFFFAOYSA-N -1 1 292.282 2.662 20 0 CFADMM CCCN(CCc1cccs1)Cc1nc(C(=O)[O-])co1 ZINC000564219156 290198361 /nfs/dbraw/zinc/19/83/61/290198361.db2.gz SLCJFGLUNNSTRZ-UHFFFAOYSA-N -1 1 294.376 2.889 20 0 CFADMM Cc1ccccc1[C@@H](C(=O)[O-])N1CC[C@H](OCC(C)C)C1 ZINC000565108162 290269763 /nfs/dbraw/zinc/26/97/63/290269763.db2.gz ZRNBSQHONWUPNO-HOCLYGCPSA-N -1 1 291.391 2.868 20 0 CFADMM O=C([O-])C1(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000565672731 290317689 /nfs/dbraw/zinc/31/76/89/290317689.db2.gz YKIIYBUXXJXLNU-CYBMUJFWSA-N -1 1 295.766 2.578 20 0 CFADMM CCc1cccc(CNCc2cc(C(=O)[O-])co2)c1 ZINC000566300445 290368932 /nfs/dbraw/zinc/36/89/32/290368932.db2.gz LIINNQFOJOYUBM-UHFFFAOYSA-N -1 1 259.305 2.830 20 0 CFADMM CCc1nc(S[C@H]2C[C@@H](C)CCC2=O)[n-]c(=O)c1C ZINC000566498790 290395676 /nfs/dbraw/zinc/39/56/76/290395676.db2.gz NQSBPADICYTIFN-UFBFGSQYSA-N -1 1 280.393 2.903 20 0 CFADMM CCc1nc(SCc2noc(C3CC3)n2)[n-]c(=O)c1C ZINC000566498919 290395940 /nfs/dbraw/zinc/39/59/40/290395940.db2.gz JPSDWUDJWAKKSW-UHFFFAOYSA-N -1 1 292.364 2.606 20 0 CFADMM Cc1ccc(F)c(-c2cc(=NC(=O)C[C@H]3C[C@H]3C)[nH][n-]2)c1 ZINC000566534144 290397870 /nfs/dbraw/zinc/39/78/70/290397870.db2.gz QTTOYDBAQFCKET-GHMZBOCLSA-N -1 1 287.338 2.931 20 0 CFADMM CCc1nc(S[C@@H]2CCO[C@H](C)C2)[n-]c(=O)c1C ZINC000568782836 290570627 /nfs/dbraw/zinc/57/06/27/290570627.db2.gz GCJMQKMNHUUXFX-PSASIEDQSA-N -1 1 268.382 2.713 20 0 CFADMM Cc1nc(S[C@H]2C[C@H](C)CCC2=O)[n-]c(=O)c1C ZINC000450900923 293356712 /nfs/dbraw/zinc/35/67/12/293356712.db2.gz GKRSFMNJKWHWRI-HQJQHLMTSA-N -1 1 266.366 2.649 20 0 CFADMM Cn1c(CC2CCCCC2)n[n-]c1=NC(C)(C)C ZINC000361313384 294152197 /nfs/dbraw/zinc/15/21/97/294152197.db2.gz KBSKQTAHGMKRKI-UHFFFAOYSA-N -1 1 250.390 2.570 20 0 CFADMM CO[C@H](C)c1nc(=N[C@H]2CCC(C)(C)C2)s[n-]1 ZINC000336688716 294344132 /nfs/dbraw/zinc/34/41/32/294344132.db2.gz GHDOOBKYRGUYPN-BDAKNGLRSA-N -1 1 255.387 2.658 20 0 CFADMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CC2(CCC2)O1 ZINC000335358884 300184959 /nfs/dbraw/zinc/18/49/59/300184959.db2.gz IVIDZQDJVRBYCO-JTQLQIEISA-N -1 1 295.766 2.829 20 0 CFADMM FC(F)(F)c1nc(=N[C@H]2CCC[C@@H]3C[C@@H]32)s[n-]1 ZINC000413465791 303121425 /nfs/dbraw/zinc/12/14/25/303121425.db2.gz WFHBHZKQEHTGNC-VQVTYTSYSA-N -1 1 263.288 2.579 20 0 CFADMM F[C@H]1CCC[C@H](N=c2nc(C(F)(F)F)[n-]s2)C1 ZINC000335377811 303128651 /nfs/dbraw/zinc/12/86/51/303128651.db2.gz DTWNAIYMBPDHJH-WDSKDSINSA-N -1 1 269.267 2.671 20 0 CFADMM Cc1cc(-c2ccc(CN(C)C)cn2)ccc1C(=O)[O-] ZINC001243212499 782072678 /nfs/dbraw/zinc/07/26/78/782072678.db2.gz OXVJELUBTQUICL-UHFFFAOYSA-N -1 1 270.332 2.817 20 0 CFADMM O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccc([O-])cc1F ZINC000162728451 322368126 /nfs/dbraw/zinc/36/81/26/322368126.db2.gz MOSWSFOFFXEGGR-DZGCQCFKSA-N -1 1 289.281 2.956 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@@H]2CCO[C@H](C)C2)n1 ZINC000570226662 322521562 /nfs/dbraw/zinc/52/15/62/322521562.db2.gz SUKKVXQVNBTRFG-MWLCHTKSSA-N -1 1 268.382 2.794 20 0 CFADMM CCC(CC)(CC)CNC(=O)c1cncc([O-])c1 ZINC000177272121 323693016 /nfs/dbraw/zinc/69/30/16/323693016.db2.gz VBHAOVILJYUFTM-UHFFFAOYSA-N -1 1 250.342 2.733 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCOc2ccccc21 ZINC000181875444 323831770 /nfs/dbraw/zinc/83/17/70/323831770.db2.gz XVZYNTXLAZYRRB-UHFFFAOYSA-N -1 1 273.263 2.571 20 0 CFADMM Cc1ccc(CN(C)C(=O)c2cccc3nn[nH]c32)s1 ZINC000187736584 324001691 /nfs/dbraw/zinc/00/16/91/324001691.db2.gz AWFLBPYGZYPSLL-UHFFFAOYSA-N -1 1 286.360 2.600 20 0 CFADMM COC[C@@H](C)[C@H](C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350583496 324237697 /nfs/dbraw/zinc/23/76/97/324237697.db2.gz NRCYYPJAVDFPBM-BDAKNGLRSA-N -1 1 280.299 2.967 20 0 CFADMM C[C@H]1C[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)CO1 ZINC000350587497 324238542 /nfs/dbraw/zinc/23/85/42/324238542.db2.gz WZSZSCSAFJXJJA-JGVFFNPUSA-N -1 1 280.711 2.988 20 0 CFADMM [O-]c1ccc(F)cc1-c1nc(Cc2cncs2)no1 ZINC000350592599 324239305 /nfs/dbraw/zinc/23/93/05/324239305.db2.gz 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/nfs/dbraw/zinc/39/92/41/324399241.db2.gz GBNQGEMVBNVULW-GXSJLCMTSA-N -1 1 266.366 2.606 20 0 CFADMM CCC[C@H](CNC(=O)c1ccc(Cl)cc1[O-])OC ZINC000378774489 324399639 /nfs/dbraw/zinc/39/96/39/324399639.db2.gz MSWASYPIXKBURO-SNVBAGLBSA-N -1 1 271.744 2.591 20 0 CFADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])[C@H]1CCCCO1 ZINC000379286248 324401751 /nfs/dbraw/zinc/40/17/51/324401751.db2.gz HBGPXRFMHQPWSW-TVQRCGJNSA-N -1 1 283.755 2.733 20 0 CFADMM CCC[C@@H](CNC(=O)c1cc(Cl)ccc1[O-])OC ZINC000385941352 324470402 /nfs/dbraw/zinc/47/04/02/324470402.db2.gz GKFAAMUGBOBWEO-JTQLQIEISA-N -1 1 271.744 2.591 20 0 CFADMM C[C@H]1CC[C@H](c2noc(-c3cc(F)ccc3[O-])n2)O1 ZINC000398393504 324550376 /nfs/dbraw/zinc/55/03/76/324550376.db2.gz YAQAQZTYUFLVHW-WRWORJQWSA-N -1 1 264.256 2.821 20 0 CFADMM CC(C)n1ccc(CNC(=O)c2cc(Cl)ccc2[O-])n1 ZINC000578893584 324899836 /nfs/dbraw/zinc/89/98/36/324899836.db2.gz DIXANYWVLKZEBN-UHFFFAOYSA-N -1 1 293.754 2.753 20 0 CFADMM O=C([O-])c1ccc(-c2nc(CN3CCCC3)co2)cc1 ZINC000579961431 324994823 /nfs/dbraw/zinc/99/48/23/324994823.db2.gz IOUUEJTZWQGJMT-UHFFFAOYSA-N -1 1 272.304 2.636 20 0 CFADMM CCc1nc(SC[C@H]2CCCC[C@@H]2O)[n-]c(=O)c1C ZINC000580466475 325039764 /nfs/dbraw/zinc/03/97/64/325039764.db2.gz BVFHTXTZQACNHJ-PWSUYJOCSA-N -1 1 282.409 2.696 20 0 CFADMM O=C([O-])CCN(Cc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000581076523 325088439 /nfs/dbraw/zinc/08/84/39/325088439.db2.gz FBQSRBHTESSJJD-ZDUSSCGKSA-N -1 1 297.782 2.796 20 0 CFADMM CCCc1nc(CN(C[C@@H](C)C(=O)[O-])C2CC2)cs1 ZINC000581196720 325099309 /nfs/dbraw/zinc/09/93/09/325099309.db2.gz PGIICVQNCKKRGY-SNVBAGLBSA-N -1 1 282.409 2.781 20 0 CFADMM C[C@@H]1C[C@H](Sc2nc(C(F)(F)F)cc(=O)[n-]2)CCO1 ZINC000581618958 325137736 /nfs/dbraw/zinc/13/77/36/325137736.db2.gz UDWCWSMFLFQUOP-RNFRBKRXSA-N -1 1 294.298 2.861 20 0 CFADMM Cc1cnc(C(=O)N2CCC[C@H](c3ccncc3)C2)c([O-])c1 ZINC000582012507 325169303 /nfs/dbraw/zinc/16/93/03/325169303.db2.gz JSTZESTUAGTHMF-AWEZNQCLSA-N -1 1 297.358 2.510 20 0 CFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1(C2CCC2)CCC1 ZINC000582469542 325207242 /nfs/dbraw/zinc/20/72/42/325207242.db2.gz FQSOEJPIGNXQGO-UHFFFAOYSA-N -1 1 288.273 2.732 20 0 CFADMM O=C([O-])C1(CN(Cc2ccco2)Cc2ccco2)CC1 ZINC000582671520 325224670 /nfs/dbraw/zinc/22/46/70/325224670.db2.gz QDYWPGNFSVJRSN-UHFFFAOYSA-N -1 1 275.304 2.740 20 0 CFADMM CC1(C)C(C)(C)C1(C)C(=O)[N-]OCc1cccnc1 ZINC000935017586 649865615 /nfs/dbraw/zinc/86/56/15/649865615.db2.gz PWCWMVIOBFENLX-UHFFFAOYSA-N -1 1 262.353 2.702 20 0 CFADMM Cn1nc(C2CC2)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000935020197 649866054 /nfs/dbraw/zinc/86/60/54/649866054.db2.gz IAHPOGLWDIBENM-UHFFFAOYSA-N -1 1 291.738 2.909 20 0 CFADMM COC(=O)c1cnccc1-c1ccc([O-])c(F)c1F ZINC001243341708 782145599 /nfs/dbraw/zinc/14/55/99/782145599.db2.gz WYCIWKMUPWNGPL-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM COC(=O)c1nccc(-c2ccc([O-])c(F)c2F)c1C ZINC001243341579 782145615 /nfs/dbraw/zinc/14/56/15/782145615.db2.gz UXHNQZZAXKJBBY-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM [O-]c1ccc(-c2ccc(F)c(-c3nn[nH]n3)c2)c(F)c1F ZINC001243341631 782145754 /nfs/dbraw/zinc/14/57/54/782145754.db2.gz VWOUUDREHTWNQU-UHFFFAOYSA-N -1 1 292.220 2.657 20 0 CFADMM CON(C)C(=O)c1ccccc1-c1ccc([O-])c(F)c1F ZINC001243342815 782148261 /nfs/dbraw/zinc/14/82/61/782148261.db2.gz KTAGVZQTNTUODD-UHFFFAOYSA-N -1 1 293.269 2.971 20 0 CFADMM CNC(=O)c1ccc(-c2ccc([O-])c(F)c2F)cc1F ZINC001243342227 782147062 /nfs/dbraw/zinc/14/70/62/782147062.db2.gz BDNGAONHOMJIJI-UHFFFAOYSA-N -1 1 281.233 2.836 20 0 CFADMM CCOC(=O)Cc1ccncc1-c1ccc([O-])c(F)c1F ZINC001243342244 782147679 /nfs/dbraw/zinc/14/76/79/782147679.db2.gz BQPGJSNKZVYSOS-UHFFFAOYSA-N -1 1 293.269 2.838 20 0 CFADMM [O-]c1ccc(-c2ccc3ncnn3c2F)c(F)c1F ZINC001243344940 782149881 /nfs/dbraw/zinc/14/98/81/782149881.db2.gz JUERZYOEUOFHFW-UHFFFAOYSA-N -1 1 265.194 2.519 20 0 CFADMM CC1(C)CN(C(=O)c2ccc(Cl)cc2[O-])CCCO1 ZINC000311895029 520454025 /nfs/dbraw/zinc/45/40/25/520454025.db2.gz PAFWMDKYOILFDZ-UHFFFAOYSA-N -1 1 283.755 2.687 20 0 CFADMM COc1ccccc1/C(C)=C/C(=O)[N-]O[C@H]1CCCCO1 ZINC000066645465 500863466 /nfs/dbraw/zinc/86/34/66/500863466.db2.gz IBLIVYCHAGXNTG-PCUGXKRQSA-N -1 1 291.347 2.673 20 0 CFADMM Cc1ccc(CC[C@@H](C)NC(=O)c2ncc(C)cc2[O-])o1 ZINC000427236343 533819251 /nfs/dbraw/zinc/81/92/51/533819251.db2.gz GVLZABJTNJKADG-LLVKDONJSA-N -1 1 288.347 2.748 20 0 CFADMM C[C@@H]1CC[C@@H](CN=c2[n-]c(C(F)(F)F)cs2)O1 ZINC000413380099 534158679 /nfs/dbraw/zinc/15/86/79/534158679.db2.gz UAQZTLKRHURRCU-RQJHMYQMSA-N -1 1 266.288 2.563 20 0 CFADMM COc1ccc(NC(=O)c2ccc(O)cc2[O-])c(C)c1 ZINC000171303964 534171491 /nfs/dbraw/zinc/17/14/91/534171491.db2.gz NERGPEMYFVLQAF-UHFFFAOYSA-N -1 1 273.288 2.667 20 0 CFADMM CC(C)c1cc(C(=O)Nc2ccc(F)cc2[O-])no1 ZINC000336157679 519832661 /nfs/dbraw/zinc/83/26/61/519832661.db2.gz WWQFQTXJJQNMLB-UHFFFAOYSA-N -1 1 264.256 2.895 20 0 CFADMM CCC1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000335079474 519860428 /nfs/dbraw/zinc/86/04/28/519860428.db2.gz SDVJGLNUWTVUNW-UHFFFAOYSA-N -1 1 269.728 2.536 20 0 CFADMM CCC1CN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000335074442 519860550 /nfs/dbraw/zinc/86/05/50/519860550.db2.gz DJPVMFPLTPJCLJ-UHFFFAOYSA-N -1 1 284.153 2.637 20 0 CFADMM CC(C)c1nc(CN2CCC[C@@H]2CC(=O)[O-])cs1 ZINC000049277369 519862866 /nfs/dbraw/zinc/86/28/66/519862866.db2.gz SCWHTSABUBAAHW-LLVKDONJSA-N -1 1 268.382 2.706 20 0 CFADMM CCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000073445777 519863310 /nfs/dbraw/zinc/86/33/10/519863310.db2.gz GTASCWVOGYETKR-UHFFFAOYSA-N -1 1 275.348 2.614 20 0 CFADMM CCN(C(=O)c1cncc([O-])c1)[C@H]1CCCC[C@H]1C ZINC000336360229 520117609 /nfs/dbraw/zinc/11/76/09/520117609.db2.gz CCVHFEBOSZOEOW-RISCZKNCSA-N -1 1 262.353 2.828 20 0 CFADMM CCN(C(=O)c1cncc([O-])c1)[C@@H]1CCCC[C@H]1C ZINC000336360227 520117647 /nfs/dbraw/zinc/11/76/47/520117647.db2.gz CCVHFEBOSZOEOW-BXUZGUMPSA-N -1 1 262.353 2.828 20 0 CFADMM Cc1cnc(C(=O)NC[C@@H](C)Cc2cccs2)c([O-])c1 ZINC000427504281 534529826 /nfs/dbraw/zinc/52/98/26/534529826.db2.gz JONDUZZIYLUSPR-JTQLQIEISA-N -1 1 290.388 2.766 20 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1 289.347 2.822 20 0 CFADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1C ZINC000336468413 523675882 /nfs/dbraw/zinc/67/58/82/523675882.db2.gz XNXYYQBAESHJEO-UHFFFAOYSA-N -1 1 297.355 2.529 20 0 CFADMM CCc1cc(=O)[n-]c(SC2C[C@@H](C)O[C@H](C)C2)n1 ZINC000338561845 523836290 /nfs/dbraw/zinc/83/62/90/523836290.db2.gz AJIAHXAFTSPDKE-RKDXNWHRSA-N -1 1 268.382 2.793 20 0 CFADMM C[C@@H]1CCCC[C@@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000335101809 524141292 /nfs/dbraw/zinc/14/12/92/524141292.db2.gz GNNDIOGNFCEOEN-SCZZXKLOSA-N -1 1 269.291 2.979 20 0 CFADMM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000337691933 524210621 /nfs/dbraw/zinc/21/06/21/524210621.db2.gz VISRAOASOKKBFE-UWVGGRQHSA-N -1 1 289.347 2.822 20 0 CFADMM C[C@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000231329289 524266551 /nfs/dbraw/zinc/26/65/51/524266551.db2.gz IFSNNJPCSZOEGW-QMMMGPOBSA-N -1 1 284.153 2.637 20 0 CFADMM C[C@@H]1CCC[C@@H](CCNC(=O)c2cncc([O-])c2)C1 ZINC000070540710 524286683 /nfs/dbraw/zinc/28/66/83/524286683.db2.gz SNPLSDAOXJZSLK-NEPJUHHUSA-N -1 1 262.353 2.733 20 0 CFADMM COc1ccc(F)cc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000050511368 524315195 /nfs/dbraw/zinc/31/51/95/524315195.db2.gz SHADVOFQJHALOT-OAHLLOKOSA-N -1 1 289.306 2.750 20 0 CFADMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000046813218 524408787 /nfs/dbraw/zinc/40/87/87/524408787.db2.gz GELNBVIGVDZING-KOLCDFICSA-N -1 1 289.347 2.822 20 0 CFADMM Cc1ccc(C[C@H](C)NC(=O)c2ncccc2[O-])s1 ZINC000080247409 524680014 /nfs/dbraw/zinc/68/00/14/524680014.db2.gz DANZYPUBBPBVNG-VIFPVBQESA-N -1 1 276.361 2.518 20 0 CFADMM Cc1cccc([C@@H]2CCN(C(=O)c3cncc([O-])c3)C2)c1 ZINC000334176173 524856361 /nfs/dbraw/zinc/85/63/61/524856361.db2.gz AHXJXYGAOIJRDF-CQSZACIVSA-N -1 1 282.343 2.725 20 0 CFADMM C[C@H](NC(=O)c1ccc([O-])cc1F)C1CCCC1 ZINC000229787750 525217985 /nfs/dbraw/zinc/21/79/85/525217985.db2.gz OHEARRIFEBQYOA-VIFPVBQESA-N -1 1 251.301 2.840 20 0 CFADMM Cc1cc(NC(=O)c2cccc3cn[nH]c32)ccc1C(=O)[O-] ZINC000237827895 525252758 /nfs/dbraw/zinc/25/27/58/525252758.db2.gz TUINNIMUAJNPGO-UHFFFAOYSA-N -1 1 295.298 2.822 20 0 CFADMM Cc1cc([N-]S(=O)(=O)c2ccccc2)ccc1F ZINC000074982974 525290619 /nfs/dbraw/zinc/29/06/19/525290619.db2.gz PPHBPBOQHAIKPY-UHFFFAOYSA-N -1 1 265.309 2.935 20 0 CFADMM Cc1ccccc1[C@H](NC(=O)c1cncc([O-])c1)C1CC1 ZINC000339932656 525428665 /nfs/dbraw/zinc/42/86/65/525428665.db2.gz PVHHEYKUXUAKPP-MRXNPFEDSA-N -1 1 282.343 2.977 20 0 CFADMM C[C@@H](NCc1cccc([O-])c1Cl)c1ccon1 ZINC000339346603 525535141 /nfs/dbraw/zinc/53/51/41/525535141.db2.gz CWDOHRCVDOIQTA-MRVPVSSYSA-N -1 1 252.701 2.884 20 0 CFADMM Cc1ccsc1S(=O)(=O)[N-]C(C)(C)C(F)(F)F ZINC000336262450 525864140 /nfs/dbraw/zinc/86/41/40/525864140.db2.gz LBSLTINUSRVHRE-UHFFFAOYSA-N -1 1 287.328 2.676 20 0 CFADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(C(C)C)n[nH]1 ZINC000336450154 525866033 /nfs/dbraw/zinc/86/60/33/525866033.db2.gz AYKWPJAJZFNWQC-UHFFFAOYSA-N -1 1 285.394 2.704 20 0 CFADMM Cc1c2ccccc2oc1CNC(=O)c1ncccc1[O-] ZINC000360514123 525982714 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ZINC000335029989 526611014 /nfs/dbraw/zinc/61/10/14/526611014.db2.gz SJWFAOKBDLFPCV-LLVKDONJSA-N -1 1 297.782 2.670 20 0 CFADMM O=C(NCc1cc2ccccc2s1)c1ncccc1[O-] ZINC000338077135 526645257 /nfs/dbraw/zinc/64/52/57/526645257.db2.gz BVHXEXYIWZFJDW-UHFFFAOYSA-N -1 1 284.340 2.932 20 0 CFADMM O=C(NCc1ccoc1)c1ccc(Br)cc1[O-] ZINC000049450070 526799722 /nfs/dbraw/zinc/79/97/22/526799722.db2.gz GIISIRCDCQGMJT-UHFFFAOYSA-N -1 1 296.120 2.678 20 0 CFADMM O=C(N[C@@H](c1cccs1)C1CC1)c1cncc([O-])c1 ZINC000339878690 526873611 /nfs/dbraw/zinc/87/36/11/526873611.db2.gz LXECHQDSMFMYPJ-CYBMUJFWSA-N -1 1 274.345 2.730 20 0 CFADMM O=C(c1ncccc1[O-])N1CCC2(CCCCC2)CC1 ZINC000061559837 526921252 /nfs/dbraw/zinc/92/12/52/526921252.db2.gz ZBZMRJVGIMMWFA-UHFFFAOYSA-N -1 1 274.364 2.974 20 0 CFADMM O=C(COCCc1ccccc1)Nc1ccc(F)cc1[O-] ZINC000340326981 526933139 /nfs/dbraw/zinc/93/31/39/526933139.db2.gz HLVXHANZFIEAQE-UHFFFAOYSA-N -1 1 289.306 2.729 20 0 CFADMM O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc2ccccc2c1[O-] ZINC000252015558 526978200 /nfs/dbraw/zinc/97/82/00/526978200.db2.gz YCNUNUYZIXONJN-NUEKZKHPSA-N -1 1 297.354 2.843 20 0 CFADMM O=C(C[C@@H]1C=CCC1)Nc1ccc([O-])c(F)c1F ZINC000335021300 527106061 /nfs/dbraw/zinc/10/60/61/527106061.db2.gz MPBPPPYQWHNRAT-MRVPVSSYSA-N -1 1 253.248 2.965 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(-n2ccnc2)c1 ZINC000340332795 527214166 /nfs/dbraw/zinc/21/41/66/527214166.db2.gz KVCGLJROBQGRIT-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM O=S(=O)([N-][C@@H]1CC[C@@H](F)C1)c1cc2ccccc2o1 ZINC000336363280 527237813 /nfs/dbraw/zinc/23/78/13/527237813.db2.gz SLGGJVFRAQPVEB-GHMZBOCLSA-N -1 1 283.324 2.602 20 0 CFADMM O=S(=O)([N-][C@H]1CC[C@H](F)C1)c1cc2ccccc2o1 ZINC000336363282 527243216 /nfs/dbraw/zinc/24/32/16/527243216.db2.gz SLGGJVFRAQPVEB-QWRGUYRKSA-N -1 1 283.324 2.602 20 0 CFADMM O=C(NCC1CC(c2ccccc2)C1)c1ncccc1[O-] ZINC000338672417 527590093 /nfs/dbraw/zinc/59/00/93/527590093.db2.gz DDLDKVILKGYAPJ-UHFFFAOYSA-N -1 1 282.343 2.711 20 0 CFADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc(F)cc1[O-] ZINC000336322296 527658897 /nfs/dbraw/zinc/65/88/97/527658897.db2.gz HBIIBRUQVIXHII-MRVPVSSYSA-N -1 1 291.326 2.624 20 0 CFADMM O=C(C(=O)N1CCC[C@H]1c1ccccc1)c1ccc([O-])cc1 ZINC000336157813 527664388 /nfs/dbraw/zinc/66/43/88/527664388.db2.gz QLWNVPWWLNSAQE-INIZCTEOSA-N -1 1 295.338 2.939 20 0 CFADMM CCC[C@H](C)C[C@H](NCc1occc1C)C(=O)[O-] ZINC000426819830 528039783 /nfs/dbraw/zinc/03/97/83/528039783.db2.gz JDVBJDCKVRJVPP-JQWIXIFHSA-N -1 1 253.342 2.957 20 0 CFADMM CCC[C@H](N=c1nc(COC)[n-]s1)C1CCCC1 ZINC000413453458 528166123 /nfs/dbraw/zinc/16/61/23/528166123.db2.gz KRWDQGGRAPRQQU-NSHDSACASA-N -1 1 269.414 2.877 20 0 CFADMM CC(C)c1nc(=NC[C@@H](C)CC(F)(F)F)o[n-]1 ZINC000413531585 528257482 /nfs/dbraw/zinc/25/74/82/528257482.db2.gz LZVYRILXBPOHHI-ZETCQYMHSA-N -1 1 251.252 2.615 20 0 CFADMM CC(C)c1nc(=NC[C@H](C)CC(F)(F)F)o[n-]1 ZINC000413531582 528258602 /nfs/dbraw/zinc/25/86/02/528258602.db2.gz LZVYRILXBPOHHI-SSDOTTSWSA-N -1 1 251.252 2.615 20 0 CFADMM CCCc1cc(=O)[n-]c(SC[C@@H](OC)C2CC2)n1 ZINC000424086845 528613367 /nfs/dbraw/zinc/61/33/67/528613367.db2.gz QPVJXBSWIXWBFB-LLVKDONJSA-N -1 1 268.382 2.652 20 0 CFADMM CCCc1cc(=O)[n-]c(SC[C@@H]2CCC[C@H](O)C2)n1 ZINC000311927596 528614214 /nfs/dbraw/zinc/61/42/14/528614214.db2.gz HODPTFPQTVLAKH-PWSUYJOCSA-N -1 1 282.409 2.778 20 0 CFADMM CC[C@@H](C)CN(CC)C(=O)c1ncc(C)cc1[O-] ZINC000427254556 529318472 /nfs/dbraw/zinc/31/84/72/529318472.db2.gz ALPNLUXGHSWUPR-SNVBAGLBSA-N -1 1 250.342 2.604 20 0 CFADMM CCC(CC)CC(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505737799 535013235 /nfs/dbraw/zinc/01/32/35/535013235.db2.gz IJOGQGHIOFLVQD-UHFFFAOYSA-N -1 1 279.336 2.944 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)C2=CC[C@@H](C)CC2)c1 ZINC000456052935 536791359 /nfs/dbraw/zinc/79/13/59/536791359.db2.gz FHSKJXJTFVRGNQ-SNVBAGLBSA-N -1 1 289.331 2.864 20 0 CFADMM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)cn1 ZINC000228886102 545533688 /nfs/dbraw/zinc/53/36/88/545533688.db2.gz ICRMJCQRPFOQFP-UHFFFAOYSA-N -1 1 270.332 2.720 20 0 CFADMM Cc1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cn1 ZINC000228887536 545533749 /nfs/dbraw/zinc/53/37/49/545533749.db2.gz QWDKGBVICVODHV-INIZCTEOSA-N -1 1 282.343 2.574 20 0 CFADMM O=C([O-])c1coc(CN2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000740270999 574049301 /nfs/dbraw/zinc/04/93/01/574049301.db2.gz YUGLVHJUCBQCON-UHFFFAOYSA-N -1 1 299.326 2.973 20 0 CFADMM CCCCCC[C@H](C)CC(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000736444598 574055185 /nfs/dbraw/zinc/05/51/85/574055185.db2.gz HTHQEYNTKDFNSY-QWHCGFSZSA-N -1 1 295.431 2.758 20 0 CFADMM C[C@@H]1CCC[C@H](C)N1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000736774107 574071893 /nfs/dbraw/zinc/07/18/93/574071893.db2.gz GIYGFGYJFIUXBE-TXEJJXNPSA-N -1 1 290.363 2.586 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)C(C)(C)C)c1 ZINC000744765297 574086310 /nfs/dbraw/zinc/08/63/10/574086310.db2.gz ATTBTLMNIOLHPS-UHFFFAOYSA-N -1 1 264.321 2.727 20 0 CFADMM CC(C)[C@@H](O)C(C)(C)CNC(=O)c1c([O-])cccc1Cl ZINC000754487138 574097189 /nfs/dbraw/zinc/09/71/89/574097189.db2.gz DEKAJMPTJZCKRW-CYBMUJFWSA-N -1 1 299.798 2.819 20 0 CFADMM Cc1ccc2c(c1)CC[C@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000737379456 574137656 /nfs/dbraw/zinc/13/76/56/574137656.db2.gz YMUCHJYGODDOEZ-CYBMUJFWSA-N -1 1 292.346 2.670 20 0 CFADMM Cc1ccc2c(c1)CC[C@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000737379456 574137660 /nfs/dbraw/zinc/13/76/60/574137660.db2.gz YMUCHJYGODDOEZ-CYBMUJFWSA-N -1 1 292.346 2.670 20 0 CFADMM CC[C@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@@H](C)O1 ZINC000732303036 574149097 /nfs/dbraw/zinc/14/90/97/574149097.db2.gz ZKHHEUZNMOVVSP-ZJUUUORDSA-N -1 1 283.755 2.685 20 0 CFADMM CCC(CC)[C@H](O)CNC(=O)c1c([O-])cccc1Cl ZINC000732300572 574149400 /nfs/dbraw/zinc/14/94/00/574149400.db2.gz CDRNBXIIGODKEA-GFCCVEGCSA-N -1 1 285.771 2.573 20 0 CFADMM Cc1[nH]c(C(=O)CN2CCC[C@@H](C)[C@H]2C)c(C)c1C(=O)[O-] ZINC000738153719 574158486 /nfs/dbraw/zinc/15/84/86/574158486.db2.gz ONQHMOSURFRVJT-BXKDBHETSA-N -1 1 292.379 2.633 20 0 CFADMM Cc1ccc(C[N-]C(=O)C(F)(F)F)c(OCC2CC2)c1 ZINC000755565981 574168785 /nfs/dbraw/zinc/16/87/85/574168785.db2.gz CNQQPQSPPXHOJI-UHFFFAOYSA-N -1 1 287.281 2.962 20 0 CFADMM Cc1cccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)n1 ZINC000738717496 574182117 /nfs/dbraw/zinc/18/21/17/574182117.db2.gz MKSUFAPEHPUUKF-CQSZACIVSA-N -1 1 290.750 2.959 20 0 CFADMM Cc1cccc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)c1 ZINC000747229239 574188610 /nfs/dbraw/zinc/18/86/10/574188610.db2.gz ZQRKPYQCKVFHGC-UHFFFAOYSA-N -1 1 280.349 2.609 20 0 CFADMM Cc1cccc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)c1 ZINC000747229239 574188612 /nfs/dbraw/zinc/18/86/12/574188612.db2.gz ZQRKPYQCKVFHGC-UHFFFAOYSA-N -1 1 280.349 2.609 20 0 CFADMM C[C@@H]1C[C@H]1c1ccc(CNC(C)(C)CNC(=O)[O-])o1 ZINC000739089365 574197679 /nfs/dbraw/zinc/19/76/79/574197679.db2.gz KEEOHNOVPGPQIO-MWLCHTKSSA-N -1 1 266.341 2.539 20 0 CFADMM O=C([N-]c1nc(C2CC2)no1)c1cc(F)c(F)cc1F ZINC000747590249 574202540 /nfs/dbraw/zinc/20/25/40/574202540.db2.gz FLNPJSNCYIXZNC-UHFFFAOYSA-N -1 1 283.209 2.617 20 0 CFADMM CCOC[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000747945414 574221360 /nfs/dbraw/zinc/22/13/60/574221360.db2.gz YXPPXSSGCIKXIP-SNVBAGLBSA-N -1 1 283.755 2.544 20 0 CFADMM CCC[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000748118937 574230303 /nfs/dbraw/zinc/23/03/03/574230303.db2.gz PJZBMIXOMKPQIQ-NSHDSACASA-N -1 1 299.392 2.794 20 0 CFADMM O=C([O-])Nc1cccc(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000740034629 574233214 /nfs/dbraw/zinc/23/32/14/574233214.db2.gz YIWRPHNUNLJYSO-UHFFFAOYSA-N -1 1 296.286 2.905 20 0 CFADMM CC(C)CCOCCOC(=O)c1c([O-])cc(F)cc1F ZINC000733471111 574239938 /nfs/dbraw/zinc/23/99/38/574239938.db2.gz QQEOQFDMVJWVCJ-UHFFFAOYSA-N -1 1 288.290 2.890 20 0 CFADMM COCCO[N-]C(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000748766549 574265008 /nfs/dbraw/zinc/26/50/08/574265008.db2.gz GBDMJMMHYQGUTL-SECBINFHSA-N -1 1 291.269 2.503 20 0 CFADMM CC1(C)[C@H](NC(=O)c2c([O-])cccc2Cl)[C@@H]2CCO[C@@H]21 ZINC000741291509 574286066 /nfs/dbraw/zinc/28/60/66/574286066.db2.gz AFZPNJSPTJPVNS-CKLFPEKLSA-N -1 1 295.766 2.589 20 0 CFADMM CC(C)C[C@@H](CNC(=O)[O-])NCc1ccc(Cl)o1 ZINC000738806182 574330202 /nfs/dbraw/zinc/33/02/02/574330202.db2.gz DARWQCAMRYCVSX-VIFPVBQESA-N -1 1 274.748 2.705 20 0 CFADMM CCCn1cc(NC(=O)c2cc(-c3ccco3)n[nH]2)cn1 ZINC000742722237 574341289 /nfs/dbraw/zinc/34/12/89/574341289.db2.gz ZOEJHTMOXCDISE-UHFFFAOYSA-N -1 1 285.307 2.529 20 0 CFADMM O=C(CSC(F)(F)F)Nc1c([O-])cccc1F ZINC000743415475 574363244 /nfs/dbraw/zinc/36/32/44/574363244.db2.gz BXFZZWGMTXZTJJ-UHFFFAOYSA-N -1 1 269.219 2.723 20 0 CFADMM O=C(N[C@H]1CCCC[C@H]1O)c1cc2ccccc2cc1[O-] ZINC000052010773 574375252 /nfs/dbraw/zinc/37/52/52/574375252.db2.gz FQNLWOVSRLXVJM-LSDHHAIUSA-N -1 1 285.343 2.579 20 0 CFADMM O=C([N-]CCOc1ccccc1Cl)C(F)(F)C(F)F ZINC000752396485 574391008 /nfs/dbraw/zinc/39/10/08/574391008.db2.gz NADLXYMSRQOFLX-UHFFFAOYSA-N -1 1 299.651 2.735 20 0 CFADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCCC1CC1 ZINC000095250811 599076364 /nfs/dbraw/zinc/07/63/64/599076364.db2.gz IMQVLYZSSZJRBB-UHFFFAOYSA-N -1 1 280.335 2.627 20 0 CFADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCCC1CC1 ZINC000095250811 599076368 /nfs/dbraw/zinc/07/63/68/599076368.db2.gz IMQVLYZSSZJRBB-UHFFFAOYSA-N -1 1 280.335 2.627 20 0 CFADMM Fc1cccc(Oc2cccnc2Cl)c1-c1nn[n-]n1 ZINC000737662680 599306156 /nfs/dbraw/zinc/30/61/56/599306156.db2.gz CTRDMCCYSDNQJX-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM Fc1cccc(Oc2cccnc2Cl)c1-c1nnn[n-]1 ZINC000737662680 599306155 /nfs/dbraw/zinc/30/61/55/599306155.db2.gz CTRDMCCYSDNQJX-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1cncc(F)c1 ZINC000820147699 598191964 /nfs/dbraw/zinc/19/19/64/598191964.db2.gz AMZGLKNTWBWCSV-JTQLQIEISA-N -1 1 274.295 2.770 20 0 CFADMM Cc1ccc2nc(CNCc3cccc(C(=O)[O-])c3)cn2c1 ZINC000821107173 598203424 /nfs/dbraw/zinc/20/34/24/598203424.db2.gz NCKOHEJCJFBIAO-UHFFFAOYSA-N -1 1 295.342 2.631 20 0 CFADMM CC1(C)CCC(Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000095231351 599578273 /nfs/dbraw/zinc/57/82/73/599578273.db2.gz XXOFCUFTSSGMRB-UHFFFAOYSA-N -1 1 272.356 2.642 20 0 CFADMM CC1(C)CCC(Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000095231351 599578275 /nfs/dbraw/zinc/57/82/75/599578275.db2.gz XXOFCUFTSSGMRB-UHFFFAOYSA-N -1 1 272.356 2.642 20 0 CFADMM O=C([O-])NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000203854105 600076010 /nfs/dbraw/zinc/07/60/10/600076010.db2.gz GSTBJQTXUQPHAO-UHFFFAOYSA-N -1 1 282.771 2.820 20 0 CFADMM CN(C)c1ccccc1CN(C)Cc1ccc(C(=O)[O-])o1 ZINC000830819511 600826155 /nfs/dbraw/zinc/82/61/55/600826155.db2.gz RSOLRUXZSUGPSU-UHFFFAOYSA-N -1 1 288.347 2.676 20 0 CFADMM CC[C@@H](C(=O)[O-])N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000828604074 600998546 /nfs/dbraw/zinc/99/85/46/600998546.db2.gz UKCIVONNEXCDIP-AWEZNQCLSA-N -1 1 276.311 2.528 20 0 CFADMM O=C(Nc1nc(Br)ccc1[O-])[C@]12C[C@H]1CCC2 ZINC000935594952 649920706 /nfs/dbraw/zinc/92/07/06/649920706.db2.gz QAQMGGPXADUPIV-JMCQJSRRSA-N -1 1 297.152 2.678 20 0 CFADMM O=C([O-])c1ccoc1CN1CCC[C@H]1c1ccccn1 ZINC000833333384 601388996 /nfs/dbraw/zinc/38/89/96/601388996.db2.gz FONCCCDTSUTVAY-ZDUSSCGKSA-N -1 1 272.304 2.710 20 0 CFADMM C[C@@H]1CN(Cc2csc(-c3ccoc3)n2)C[C@@H]1C(=O)[O-] ZINC000828462941 601531660 /nfs/dbraw/zinc/53/16/60/601531660.db2.gz NIXUXHNBSKLSHW-SKDRFNHKSA-N -1 1 292.360 2.556 20 0 CFADMM N#Cc1ccccc1CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000315227575 601544918 /nfs/dbraw/zinc/54/49/18/601544918.db2.gz VQJKUVPVCQAOAU-QGZVFWFLSA-N -1 1 292.338 2.742 20 0 CFADMM O=C([O-])c1ccc(/C=C\C(=O)c2ccccc2O)cc1 ZINC000090624420 601825581 /nfs/dbraw/zinc/82/55/81/601825581.db2.gz JOALTNNELYVHQD-YFHOEESVSA-N -1 1 268.268 2.987 20 0 CFADMM CC(C)Cc1noc(CNC2(CC(=O)[O-])CCCCC2)n1 ZINC000826913212 601882839 /nfs/dbraw/zinc/88/28/39/601882839.db2.gz RHBUFAKLHNPGQF-UHFFFAOYSA-N -1 1 295.383 2.535 20 0 CFADMM Cc1cc(COc2ccccc2-c2nnc[nH]2)oc1C(=O)[O-] ZINC000832884914 601933107 /nfs/dbraw/zinc/93/31/07/601933107.db2.gz CAKCCIRCNSUUOQ-UHFFFAOYSA-N -1 1 299.286 2.650 20 0 CFADMM C[C@@H](c1cccc(F)c1)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739057079 601966897 /nfs/dbraw/zinc/96/68/97/601966897.db2.gz KZYJEZXPIHYVOE-FZMZJTMJSA-N -1 1 280.343 2.961 20 0 CFADMM CN(Cc1cnc2ccccn12)Cc1ccc(C(=O)[O-])cc1 ZINC000830819594 602325594 /nfs/dbraw/zinc/32/55/94/602325594.db2.gz ZHNSRTXHSAEBOD-UHFFFAOYSA-N -1 1 295.342 2.665 20 0 CFADMM COc1ccc(Cl)cc1CN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000829404364 603505387 /nfs/dbraw/zinc/50/53/87/603505387.db2.gz LWXIRZFHRGPGPD-LBPRGKRZSA-N -1 1 298.770 2.533 20 0 CFADMM COc1cccc([O-])c1C(=O)Nc1nnc(C(C)C)s1 ZINC000900317905 620659189 /nfs/dbraw/zinc/65/91/89/620659189.db2.gz VEDMBWLHNUDVSM-UHFFFAOYSA-N -1 1 293.348 2.628 20 0 CFADMM O=C([O-])NC[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000832573718 604074626 /nfs/dbraw/zinc/07/46/26/604074626.db2.gz QYDVESXWIPUIED-LBPRGKRZSA-N -1 1 268.744 2.572 20 0 CFADMM CN(C(=O)[O-])[C@H]1CCN(c2ccnc3cc(F)ccc32)C1 ZINC000827900445 604223152 /nfs/dbraw/zinc/22/31/52/604223152.db2.gz QIYFDDQZOORYSX-NSHDSACASA-N -1 1 289.310 2.562 20 0 CFADMM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cccnc1Cl ZINC000825478180 604327196 /nfs/dbraw/zinc/32/71/96/604327196.db2.gz FLDLRCOCKPELPC-ZJUUUORDSA-N -1 1 283.759 2.528 20 0 CFADMM CC(C)[C@@H](CN[C@H](C)c1cccnc1Cl)NC(=O)[O-] ZINC000825483774 604333169 /nfs/dbraw/zinc/33/31/69/604333169.db2.gz AEMGGVBTRSHPFI-MWLCHTKSSA-N -1 1 285.775 2.678 20 0 CFADMM Cc1nc(CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)sc1C ZINC000830746861 604425643 /nfs/dbraw/zinc/42/56/43/604425643.db2.gz UODWVOIGJHELQZ-CMPLNLGQSA-N -1 1 297.424 2.628 20 0 CFADMM O=C([O-])[C@H](c1ccccc1F)N1CCOC2(CCCC2)C1 ZINC000833174752 604498996 /nfs/dbraw/zinc/49/89/96/604498996.db2.gz VPYOCWKSYAPQLG-AWEZNQCLSA-N -1 1 293.338 2.596 20 0 CFADMM O=C([O-])c1cc(CN2CCC[C@@H]2c2ccco2)c[nH]1 ZINC000833779454 604641477 /nfs/dbraw/zinc/64/14/77/604641477.db2.gz LFFOFZZROZCVPD-GFCCVEGCSA-N -1 1 260.293 2.643 20 0 CFADMM CC(C)c1nnc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)o1 ZINC000833512192 604943762 /nfs/dbraw/zinc/94/37/62/604943762.db2.gz ORJSICAUTHFDLX-LLVKDONJSA-N -1 1 295.383 2.516 20 0 CFADMM C[C@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)C(C)(C)C ZINC000833410561 605057592 /nfs/dbraw/zinc/05/75/92/605057592.db2.gz CXHJYQKDVBGKHG-MRVPVSSYSA-N -1 1 289.335 2.882 20 0 CFADMM C[C@H](c1cccs1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833549597 605104728 /nfs/dbraw/zinc/10/47/28/605104728.db2.gz FJYFTCMWFOERHY-SECBINFHSA-N -1 1 264.350 2.967 20 0 CFADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833605693 605117789 /nfs/dbraw/zinc/11/77/89/605117789.db2.gz KRAZMAKGURYWSR-RKDXNWHRSA-N -1 1 290.285 2.876 20 0 CFADMM CCc1cnccc1[C@@H](C)NCc1occc1C(=O)[O-] ZINC000833675472 605271771 /nfs/dbraw/zinc/27/17/71/605271771.db2.gz YWALEZQQZHHFDS-SNVBAGLBSA-N -1 1 274.320 2.786 20 0 CFADMM CC1=C(C(=O)[O-])C[C@@H](CN2Cc3ccccc3[C@H]2C)O1 ZINC000833580102 605345211 /nfs/dbraw/zinc/34/52/11/605345211.db2.gz PJCVDCUGSCTAMJ-MFKMUULPSA-N -1 1 273.332 2.711 20 0 CFADMM CCCN(Cc1nc(C)c(C)o1)C1CCN(C(=O)[O-])CC1 ZINC000826915972 605468791 /nfs/dbraw/zinc/46/87/91/605468791.db2.gz AWJVBSHVFZCENF-UHFFFAOYSA-N -1 1 295.383 2.646 20 0 CFADMM O=C([O-])N[C@@H]1CCCN(C/C=C\c2ccc(F)cc2)C1 ZINC000834180603 605491283 /nfs/dbraw/zinc/49/12/83/605491283.db2.gz FNMISNDKRDRTKB-NPPUXFBVSA-N -1 1 278.327 2.571 20 0 CFADMM O=C([O-])N[C@H]1CCCN(C/C=C\c2ccc(F)cc2)C1 ZINC000834180606 605491603 /nfs/dbraw/zinc/49/16/03/605491603.db2.gz FNMISNDKRDRTKB-VXYRWZGASA-N -1 1 278.327 2.571 20 0 CFADMM O=C([O-])N(CC1CC1)C1CCN(Cc2ccco2)CC1 ZINC000834062611 605612035 /nfs/dbraw/zinc/61/20/35/605612035.db2.gz LEPUPAOVSFPNDK-UHFFFAOYSA-N -1 1 278.352 2.634 20 0 CFADMM O=C([O-])N1CCN(Cc2ccncc2)C2(CCCCC2)C1 ZINC000834112747 605765721 /nfs/dbraw/zinc/76/57/21/605765721.db2.gz IIJNFSYZWCUICE-UHFFFAOYSA-N -1 1 289.379 2.580 20 0 CFADMM O=C([O-])N[C@H]1C[C@@H](NCc2ccoc2)c2ccccc21 ZINC000834157760 605794388 /nfs/dbraw/zinc/79/43/88/605794388.db2.gz JVRFNNWDXCJVTI-KGLIPLIRSA-N -1 1 272.304 2.823 20 0 CFADMM O=C([O-])N[C@H]1C[C@@H](NCc2cccc(O)c2)c2ccccc21 ZINC000834159509 605798409 /nfs/dbraw/zinc/79/84/09/605798409.db2.gz UMNNFXFTEQIWRC-CVEARBPZSA-N -1 1 298.342 2.936 20 0 CFADMM CCC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000820962049 606428692 /nfs/dbraw/zinc/42/86/92/606428692.db2.gz GWSXSBBWNBBLFH-UHFFFAOYSA-N -1 1 278.747 2.517 20 0 CFADMM CCC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000820962049 606428694 /nfs/dbraw/zinc/42/86/94/606428694.db2.gz GWSXSBBWNBBLFH-UHFFFAOYSA-N -1 1 278.747 2.517 20 0 CFADMM C[C@@H](c1ccccc1F)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000820569901 606456882 /nfs/dbraw/zinc/45/68/82/606456882.db2.gz AHKVERIJAOAXAZ-JTQLQIEISA-N -1 1 298.325 2.598 20 0 CFADMM C[C@@H](c1ccccc1F)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000820569901 606456883 /nfs/dbraw/zinc/45/68/83/606456883.db2.gz AHKVERIJAOAXAZ-JTQLQIEISA-N -1 1 298.325 2.598 20 0 CFADMM CC[C@H](C)[C@@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820859359 606460146 /nfs/dbraw/zinc/46/01/46/606460146.db2.gz DLQWIQPDTTZAFT-JGVFFNPUSA-N -1 1 280.763 2.762 20 0 CFADMM CC[C@H](C)[C@@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820859359 606460147 /nfs/dbraw/zinc/46/01/47/606460147.db2.gz DLQWIQPDTTZAFT-JGVFFNPUSA-N -1 1 280.763 2.762 20 0 CFADMM Fc1cc(Cl)ccc1Oc1cccc(-c2nnn[n-]2)n1 ZINC000826372110 607895260 /nfs/dbraw/zinc/89/52/60/607895260.db2.gz IEGSNYBKVACUHN-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM Fc1cc(Cl)ccc1Oc1cccc(-c2nn[n-]n2)n1 ZINC000826372110 607895261 /nfs/dbraw/zinc/89/52/61/607895261.db2.gz IEGSNYBKVACUHN-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM CCCOc1cccc(Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000825341810 607896531 /nfs/dbraw/zinc/89/65/31/607896531.db2.gz KSNHVQLNKIXXPK-UHFFFAOYSA-N -1 1 296.334 2.794 20 0 CFADMM CCCOc1cccc(Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000825341810 607896532 /nfs/dbraw/zinc/89/65/32/607896532.db2.gz KSNHVQLNKIXXPK-UHFFFAOYSA-N -1 1 296.334 2.794 20 0 CFADMM CCC(CC)CN(CC)c1cccc(-c2nnn[n-]2)n1 ZINC000825106601 607903115 /nfs/dbraw/zinc/90/31/15/607903115.db2.gz GJLBBKXWIMKVPD-UHFFFAOYSA-N -1 1 274.372 2.524 20 0 CFADMM CCC(CC)CN(CC)c1cccc(-c2nn[n-]n2)n1 ZINC000825106601 607903116 /nfs/dbraw/zinc/90/31/16/607903116.db2.gz GJLBBKXWIMKVPD-UHFFFAOYSA-N -1 1 274.372 2.524 20 0 CFADMM Clc1nsc(SCc2ccco2)c1-c1nnn[n-]1 ZINC000826354837 608169166 /nfs/dbraw/zinc/16/91/66/608169166.db2.gz XHGULJFWMNJWIY-UHFFFAOYSA-N -1 1 299.768 2.862 20 0 CFADMM Clc1nsc(SCc2ccco2)c1-c1nn[n-]n1 ZINC000826354837 608169168 /nfs/dbraw/zinc/16/91/68/608169168.db2.gz XHGULJFWMNJWIY-UHFFFAOYSA-N -1 1 299.768 2.862 20 0 CFADMM C[C@H]1C[C@H](CCn2ccnc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000824874282 608887902 /nfs/dbraw/zinc/88/79/02/608887902.db2.gz BQXGKXYGQUFQFP-GDNZZTSVSA-N -1 1 274.372 2.526 20 0 CFADMM C[C@H]1C[C@H](CCn2ccnc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000824874282 608887904 /nfs/dbraw/zinc/88/79/04/608887904.db2.gz BQXGKXYGQUFQFP-GDNZZTSVSA-N -1 1 274.372 2.526 20 0 CFADMM Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)s1 ZINC000152833150 623782206 /nfs/dbraw/zinc/78/22/06/623782206.db2.gz XPFBTNMKXCWADL-SNVBAGLBSA-N -1 1 256.327 2.636 20 0 CFADMM Cc1nc(SC2CCSCC2)[n-]c(=O)c1C ZINC000917419733 624340648 /nfs/dbraw/zinc/34/06/48/624340648.db2.gz XAZHWCHQODXJMR-UHFFFAOYSA-N -1 1 256.396 2.787 20 0 CFADMM Cc1ccnc(SCCC[N-]C(=O)C(F)(F)F)c1 ZINC000918800877 624493422 /nfs/dbraw/zinc/49/34/22/624493422.db2.gz KPTQBKQSBMOSJM-UHFFFAOYSA-N -1 1 278.299 2.551 20 0 CFADMM C[C@@H]1CC[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)[C@H](C)C1 ZINC000900700065 620703250 /nfs/dbraw/zinc/70/32/50/620703250.db2.gz UHXVTRUDVSONAJ-BREBYQMCSA-N -1 1 289.379 2.614 20 0 CFADMM CC[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)[C@H](C)O ZINC000900718886 620704909 /nfs/dbraw/zinc/70/49/09/620704909.db2.gz TWZPWORCSZNFST-NKWVEPMBSA-N -1 1 275.707 2.530 20 0 CFADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900739852 620708920 /nfs/dbraw/zinc/70/89/20/620708920.db2.gz SQHSRKUYUWEKNZ-NXEZZACHSA-N -1 1 289.379 2.614 20 0 CFADMM C[C@@H]1CCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900894088 620726604 /nfs/dbraw/zinc/72/66/04/620726604.db2.gz BKBGUGVCYURGHV-SECBINFHSA-N -1 1 274.295 2.704 20 0 CFADMM CCCCC1(NC(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC000889523328 618025299 /nfs/dbraw/zinc/02/52/99/618025299.db2.gz GMTVODQGVBGJSL-UHFFFAOYSA-N -1 1 275.352 2.512 20 0 CFADMM C[C@]12CSC[C@H]1CN(C(=O)c1cc(Cl)ccc1[O-])C2 ZINC000891191106 618030601 /nfs/dbraw/zinc/03/06/01/618030601.db2.gz KFWWTDSWRZQIBM-OTYXRUKQSA-N -1 1 297.807 2.871 20 0 CFADMM CC[C@H](CNc1ccnc2cc(F)c(OC)cc21)C(=O)[O-] ZINC000900976239 620735822 /nfs/dbraw/zinc/73/58/22/620735822.db2.gz JZMXFOMJXIJVMO-SECBINFHSA-N -1 1 292.310 2.905 20 0 CFADMM O=C(OCCOc1ccccc1)c1c([O-])cc(F)cc1F ZINC000063543338 617612107 /nfs/dbraw/zinc/61/21/07/617612107.db2.gz LLEIEYFNCODAIX-UHFFFAOYSA-N -1 1 294.253 2.906 20 0 CFADMM COCc1nc(N2CCC[C@H]2c2cccs2)cc(=O)[n-]1 ZINC000891514282 617644895 /nfs/dbraw/zinc/64/48/95/617644895.db2.gz UQTGXNRSRJZWHY-JTQLQIEISA-N -1 1 291.376 2.732 20 0 CFADMM CC(C)n1c(CNC(=O)C[C@@H](C)C2CC2)n[n-]c1=S ZINC000066639968 617686568 /nfs/dbraw/zinc/68/65/68/617686568.db2.gz MVMQDTKHJXHNGT-SECBINFHSA-N -1 1 282.413 2.574 20 0 CFADMM Cc1noc(C)c1[N-]C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000076278112 617767038 /nfs/dbraw/zinc/76/70/38/617767038.db2.gz WOGCHMRZNOLSQV-UHFFFAOYSA-N -1 1 297.217 2.730 20 0 CFADMM O=C(N[C@@H](c1ccncc1)C1CC1)c1ccc([O-])cc1F ZINC000890915217 617946070 /nfs/dbraw/zinc/94/60/70/617946070.db2.gz ZPFXYCPUIFSAJK-OAHLLOKOSA-N -1 1 286.306 2.807 20 0 CFADMM CC(C)[S@@](C)(=O)=NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000926049113 617965110 /nfs/dbraw/zinc/96/51/10/617965110.db2.gz ZVAHPVSEUKUGOG-GOSISDBHSA-N -1 1 289.784 2.621 20 0 CFADMM CCCC[C@@H](CC)C(=O)NCCc1n[n-]c(=S)n1CC ZINC000067075838 617979056 /nfs/dbraw/zinc/97/90/56/617979056.db2.gz RUHVOYHZWYCWNK-LLVKDONJSA-N -1 1 298.456 2.836 20 0 CFADMM CCOc1cc(C(=O)NC/C=C\Cl)cc(Cl)c1[O-] ZINC000891217932 618050721 /nfs/dbraw/zinc/05/07/21/618050721.db2.gz RWZATUODSSORLF-ARJAWSKDSA-N -1 1 290.146 2.927 20 0 CFADMM CCCCC1(NC(=O)c2ccc([O-])cc2F)CC1 ZINC000889528538 618058285 /nfs/dbraw/zinc/05/82/85/618058285.db2.gz ORVQSVGGWDFMMT-UHFFFAOYSA-N -1 1 251.301 2.984 20 0 CFADMM C/C=C/COC(=O)c1ccccc1[N-]S(=O)(=O)CCC ZINC000052172263 618138952 /nfs/dbraw/zinc/13/89/52/618138952.db2.gz OZIPQZGZSJQIOJ-HWKANZROSA-N -1 1 297.376 2.571 20 0 CFADMM COC(=O)c1c[n-]c(SCCOc2ccccc2C)n1 ZINC000187585910 618155980 /nfs/dbraw/zinc/15/59/80/618155980.db2.gz IYYKFRZKZIMPFU-UHFFFAOYSA-N -1 1 292.360 2.676 20 0 CFADMM CC(C)[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2[O-])CCO1 ZINC000935101000 618183452 /nfs/dbraw/zinc/18/34/52/618183452.db2.gz RXUYKQMNPPJUEX-HZMBPMFUSA-N -1 1 281.327 2.921 20 0 CFADMM [O-]c1cc(Br)cnc1CN1CCCCCC1 ZINC000891444525 618207360 /nfs/dbraw/zinc/20/73/60/618207360.db2.gz QZHADSFOBDTKGH-UHFFFAOYSA-N -1 1 285.185 2.926 20 0 CFADMM O=C(NCCc1ccc(O)cc1)c1c([O-])cccc1Cl ZINC000049248266 618271239 /nfs/dbraw/zinc/27/12/39/618271239.db2.gz IAXXKHDWRZVUHW-UHFFFAOYSA-N -1 1 291.734 2.724 20 0 CFADMM CCc1nc(NC([O-])=NO[C@H]2CCCCO2)sc1C ZINC000187389572 618277361 /nfs/dbraw/zinc/27/73/61/618277361.db2.gz VINDCEUGXIMJHC-JTQLQIEISA-N -1 1 285.369 2.594 20 0 CFADMM CCc1nc(NC(=O)[N-]O[C@H]2CCCCO2)sc1C ZINC000187389572 618277365 /nfs/dbraw/zinc/27/73/65/618277365.db2.gz VINDCEUGXIMJHC-JTQLQIEISA-N -1 1 285.369 2.594 20 0 CFADMM Cc1ccccc1CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000188378236 618301725 /nfs/dbraw/zinc/30/17/25/618301725.db2.gz HWOOCANNSFEGHA-UHFFFAOYSA-N -1 1 276.723 2.930 20 0 CFADMM O=C(C#Cc1ccccc1)Nc1c([O-])cccc1F ZINC000092551455 618364733 /nfs/dbraw/zinc/36/47/33/618364733.db2.gz MXXRKDORZAUCGU-UHFFFAOYSA-N -1 1 255.248 2.522 20 0 CFADMM Cc1ccsc1CNCc1cc(C)c(C(=O)[O-])o1 ZINC000235808139 618444117 /nfs/dbraw/zinc/44/41/17/618444117.db2.gz WHLLBJAKNQASCH-UHFFFAOYSA-N -1 1 265.334 2.946 20 0 CFADMM O=C(CCOc1ccc(Cl)cc1)[N-]O[C@H]1CCCCO1 ZINC000162269320 618455299 /nfs/dbraw/zinc/45/52/99/618455299.db2.gz KOVANOONWXPTLM-AWEZNQCLSA-N -1 1 299.754 2.683 20 0 CFADMM COCc1nc(N2C[C@H](c3ccccc3)C[C@@H]2C)cc(=O)[n-]1 ZINC000892551550 618629426 /nfs/dbraw/zinc/62/94/26/618629426.db2.gz HKERWZVLYMKGMX-GXTWGEPZSA-N -1 1 299.374 2.711 20 0 CFADMM CCC[C@@H](C)CC(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066639922 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/nfs/dbraw/zinc/06/99/98/621069998.db2.gz KNSHIUBTFMRSMP-GEXIGZQTSA-N -1 1 293.363 2.624 20 0 CFADMM Cc1cccc2c1CCC[C@@H]2NCc1cc(C(=O)[O-])no1 ZINC000902463929 621097131 /nfs/dbraw/zinc/09/71/31/621097131.db2.gz DKLQZGNCTTZKER-AWEZNQCLSA-N -1 1 286.331 2.848 20 0 CFADMM CCC(CC)(CNCc1cc(C(=O)[O-])no1)C(F)(F)F ZINC000902493572 621103549 /nfs/dbraw/zinc/10/35/49/621103549.db2.gz ANFRZZNMCXXPRX-UHFFFAOYSA-N -1 1 294.273 2.831 20 0 CFADMM O=C([O-])[C@@H]1[C@@H]2CC[N@@H+](C/C=C/c3ccc(F)cc3F)C[C@@H]21 ZINC000902555664 621121420 /nfs/dbraw/zinc/12/14/20/621121420.db2.gz XOCKLWICEDEFJG-ZADSMIETSA-N -1 1 293.313 2.631 20 0 CFADMM Cc1ccc(F)c(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)c1F ZINC000903409512 621364837 /nfs/dbraw/zinc/36/48/37/621364837.db2.gz YXWYCGSXLFLOCS-GXSJLCMTSA-N -1 1 283.318 2.816 20 0 CFADMM CCc1ccc2ccccc2c1CN1CCO[C@@H](C(=O)[O-])C1 ZINC000903401293 621368305 /nfs/dbraw/zinc/36/83/05/621368305.db2.gz ILTOESLBHKTTEO-QGZVFWFLSA-N -1 1 299.370 2.688 20 0 CFADMM Cc1csc(C)c1S(=O)(=O)[N-]c1cc(C2CC2)n[nH]1 ZINC000903613734 621405256 /nfs/dbraw/zinc/40/52/56/621405256.db2.gz PXCXBHOPIDUGBU-UHFFFAOYSA-N -1 1 297.405 2.766 20 0 CFADMM [O-]c1ccc(-c2noc([C@@H]3CCO[C@H]3C3CC3)n2)cc1F ZINC000903669767 621413905 /nfs/dbraw/zinc/41/39/05/621413905.db2.gz JZLMKLPEQHZHKS-MFKMUULPSA-N -1 1 290.294 2.864 20 0 CFADMM COC[C@H](NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000903678672 621417648 /nfs/dbraw/zinc/41/76/48/621417648.db2.gz QHUGNWICVKQZDJ-ZDUSSCGKSA-N -1 1 291.372 2.924 20 0 CFADMM COC[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000903678671 621417737 /nfs/dbraw/zinc/41/77/37/621417737.db2.gz QHUGNWICVKQZDJ-CYBMUJFWSA-N -1 1 291.372 2.924 20 0 CFADMM Cc1cccc(CN(C)CCC(=O)[O-])c1Br ZINC000903692762 621419419 /nfs/dbraw/zinc/41/94/19/621419419.db2.gz ATVJZCOFJHBWDR-UHFFFAOYSA-N -1 1 286.169 2.664 20 0 CFADMM C[C@]1(C(=O)[O-])CCCN1Cc1ccnc(Cl)c1Cl ZINC000903698070 621420933 /nfs/dbraw/zinc/42/09/33/621420933.db2.gz PTUXXKDKWQYPCZ-GFCCVEGCSA-N -1 1 289.162 2.828 20 0 CFADMM Cc1cc(C)nc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC000903706730 621423340 /nfs/dbraw/zinc/42/33/40/621423340.db2.gz LNPCEHYMSPDLIC-QGZVFWFLSA-N -1 1 296.370 2.882 20 0 CFADMM C[C@H]1CCN(Cc2occ(C(F)(F)F)c2C(=O)[O-])C1 ZINC000903887999 621459968 /nfs/dbraw/zinc/45/99/68/621459968.db2.gz MCORJXAXNFTYEK-ZETCQYMHSA-N -1 1 277.242 2.838 20 0 CFADMM CN(Cc1ccco1)[C@H](CCc1ccccc1)C(=O)[O-] ZINC000903886200 621464315 /nfs/dbraw/zinc/46/43/15/621464315.db2.gz YXPKPOIEGVIZBB-OAHLLOKOSA-N -1 1 273.332 2.797 20 0 CFADMM C[C@H](CN(Cc1coc(C(C)(C)C)n1)C1CC1)C(=O)[O-] ZINC000903901484 621468000 /nfs/dbraw/zinc/46/80/00/621468000.db2.gz KEKSVIYSONDDEV-SNVBAGLBSA-N -1 1 280.368 2.657 20 0 CFADMM C[C@@H]1CN(Cc2coc(C(C)(C)C)n2)C[C@@]1(C)C(=O)[O-] ZINC000903911974 621471444 /nfs/dbraw/zinc/47/14/44/621471444.db2.gz UKLVRRXVBIFWDU-MEBBXXQBSA-N -1 1 280.368 2.515 20 0 CFADMM Cc1cc(C)nc(CN2CCc3cc(C(=O)[O-])ccc3C2)c1 ZINC000903912830 621472243 /nfs/dbraw/zinc/47/22/43/621472243.db2.gz JGFNPUBJAPWQIY-UHFFFAOYSA-N -1 1 296.370 2.955 20 0 CFADMM CC(C)=CCN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903957819 621479387 /nfs/dbraw/zinc/47/93/87/621479387.db2.gz YDJQUZGKOZIDAE-UHFFFAOYSA-N -1 1 261.321 2.545 20 0 CFADMM Cc1cc(C)c(/C=C/CNC[C@@H](F)C(=O)[O-])c(C)c1 ZINC000904016023 621502504 /nfs/dbraw/zinc/50/25/04/621502504.db2.gz AXNLUWUIKURFKN-ISZGNANSSA-N -1 1 265.328 2.637 20 0 CFADMM Cc1[nH]ncc1CNc1cccc(C(=O)[O-])c1OC(C)C ZINC000904011069 621506524 /nfs/dbraw/zinc/50/65/24/621506524.db2.gz XKZHEGAOIGWABY-UHFFFAOYSA-N -1 1 289.335 2.816 20 0 CFADMM Cc1cccc([C@@H](CC(=O)[O-])NCc2ccco2)c1 ZINC000904045672 621511187 /nfs/dbraw/zinc/51/11/87/621511187.db2.gz MPTDLZVKXGJWIL-CQSZACIVSA-N -1 1 259.305 2.894 20 0 CFADMM CCc1onc(C)c1[N-]C(=O)c1c2c(ccc1F)OCO2 ZINC000904068707 621513665 /nfs/dbraw/zinc/51/36/65/621513665.db2.gz KVDXHCUVWRVEBJ-UHFFFAOYSA-N -1 1 292.266 2.666 20 0 CFADMM Cc1csc([C@H](C)N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)n1 ZINC000904216490 621551774 /nfs/dbraw/zinc/55/17/74/621551774.db2.gz ROWGJOBSEYRRPR-AXFHLTTASA-N -1 1 295.408 2.681 20 0 CFADMM CC[C@H](C)CO[N-]C(=O)Cc1cc2ccccc2c(=O)[nH]1 ZINC000832740540 625503473 /nfs/dbraw/zinc/50/34/73/625503473.db2.gz WGXHXCGLBHHBAC-NSHDSACASA-N -1 1 288.347 2.577 20 0 CFADMM COc1cnc(C=Cc2cnc(C(C)C)s2)[n-]c1=O ZINC000905077587 621689546 /nfs/dbraw/zinc/68/95/46/621689546.db2.gz YNNRTHZLDBAKKT-PLNGDYQASA-N -1 1 277.349 2.941 20 0 CFADMM Cc1oc(CN[C@H](c2cnn(C)c2)C(C)C)cc1C(=O)[O-] ZINC000905747464 621831048 /nfs/dbraw/zinc/83/10/48/621831048.db2.gz APMORXJFMGWISV-AWEZNQCLSA-N -1 1 291.351 2.507 20 0 CFADMM Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C(=O)[O-])cn1 ZINC000905724889 621834360 /nfs/dbraw/zinc/83/43/60/621834360.db2.gz OVGWUILRTMSKJY-MRXNPFEDSA-N -1 1 282.343 2.865 20 0 CFADMM CC1(C)CO[C@H](CNC(=O)c2c([O-])cccc2Cl)C1 ZINC000832807448 625523759 /nfs/dbraw/zinc/52/37/59/625523759.db2.gz ALKIIHHRTQERGB-VIFPVBQESA-N -1 1 283.755 2.591 20 0 CFADMM Cc1ccc(OCCCN2CC[C@](F)(C(=O)[O-])C2)cc1C ZINC000832952510 625541003 /nfs/dbraw/zinc/54/10/03/625541003.db2.gz PEKNXGGORFHGGC-MRXNPFEDSA-N -1 1 295.354 2.571 20 0 CFADMM O=C1[N-]C(=O)C(=Cc2ccc(OCC(F)F)cc2)S1 ZINC000149347437 622109663 /nfs/dbraw/zinc/10/96/63/622109663.db2.gz ARPVSVLVBLRDLL-UITAMQMPSA-N -1 1 285.271 2.654 20 0 CFADMM O=C1[N-]C(=O)C(=Cc2ccc(OCC(F)F)cc2)S1 ZINC000149347583 622109885 /nfs/dbraw/zinc/10/98/85/622109885.db2.gz ARPVSVLVBLRDLL-WEVVVXLNSA-N -1 1 285.271 2.654 20 0 CFADMM CCCCc1nc(C)c(CC(=O)[N-]OCC(F)F)s1 ZINC000907381759 622122517 /nfs/dbraw/zinc/12/25/17/622122517.db2.gz OOZXFEQEKHTRRY-UHFFFAOYSA-N -1 1 292.351 2.650 20 0 CFADMM O=C(c1c([O-])cnc2c(F)cccc21)N1CCC[C@@H]2C[C@@H]21 ZINC000908133945 622197686 /nfs/dbraw/zinc/19/76/86/622197686.db2.gz QDOFIVIJKRQJGD-SKDRFNHKSA-N -1 1 286.306 2.704 20 0 CFADMM CSCC(C)(C)[N-]S(=O)(=O)c1sccc1Cl ZINC000908379939 622223479 /nfs/dbraw/zinc/22/34/79/622223479.db2.gz LYRURMMWADTHJR-UHFFFAOYSA-N -1 1 299.870 2.821 20 0 CFADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC[C@@H]1C(F)F ZINC000908505154 622240100 /nfs/dbraw/zinc/24/01/00/622240100.db2.gz HOKZKCBSNYCDLR-GFCCVEGCSA-N -1 1 293.269 2.731 20 0 CFADMM CC[C@H]1CCC[C@@H]1CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908558529 622245158 /nfs/dbraw/zinc/24/51/58/622245158.db2.gz QJQIONVFORKNID-CMPLNLGQSA-N -1 1 289.379 2.616 20 0 CFADMM CC[C@@H]1CCC[C@@H]1CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908558535 622245290 /nfs/dbraw/zinc/24/52/90/622245290.db2.gz QJQIONVFORKNID-ZYHUDNBSSA-N -1 1 289.379 2.616 20 0 CFADMM CCC1(NC(=O)c2cnc(C3CC3)[n-]c2=O)CCCCC1 ZINC000909036536 622299217 /nfs/dbraw/zinc/29/92/17/622299217.db2.gz VXHJETLFYGOOEN-UHFFFAOYSA-N -1 1 289.379 2.902 20 0 CFADMM CC1(C)CO[C@H](CC(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909973006 622378166 /nfs/dbraw/zinc/37/81/66/622378166.db2.gz SQXAUAVTAHICEQ-MRVPVSSYSA-N -1 1 285.290 2.814 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1C[C@@H]1C1CC1 ZINC000909987355 622380505 /nfs/dbraw/zinc/38/05/05/622380505.db2.gz REGUAOVPVTYGAT-SFYZADRCSA-N -1 1 253.248 2.655 20 0 CFADMM CC1(/C=C/C(=O)Nc2cc([O-])c(F)cc2F)CCOCC1 ZINC000909987946 622382310 /nfs/dbraw/zinc/38/23/10/622382310.db2.gz OTQFNYYOAQFPHZ-NSCUHMNNSA-N -1 1 297.301 2.982 20 0 CFADMM C[C@@H](CC(=O)Nc1cc([O-])c(F)cc1F)[C@H]1CCCO1 ZINC000909988480 622382487 /nfs/dbraw/zinc/38/24/87/622382487.db2.gz MESFIHIODRZVLD-ISVAXAHUSA-N -1 1 285.290 2.814 20 0 CFADMM Cc1nc(N[C@@H]2CN(C)Cc3ccccc32)ccc1C(=O)[O-] ZINC000910365996 622436288 /nfs/dbraw/zinc/43/62/88/622436288.db2.gz YRTHHDKTAZAMHC-OAHLLOKOSA-N -1 1 297.358 2.687 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CC12CCC2 ZINC000910983097 622494401 /nfs/dbraw/zinc/49/44/01/622494401.db2.gz SZJUWFQGCZNKJB-QMMMGPOBSA-N -1 1 253.248 2.799 20 0 CFADMM O=C(CCOCC(F)(F)F)Nc1cc(F)cc(F)c1[O-] ZINC000910981983 622494530 /nfs/dbraw/zinc/49/45/30/622494530.db2.gz VBCYENUSBZRWLC-UHFFFAOYSA-N -1 1 299.195 2.578 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CC1(Cl)Cl ZINC000910982458 622494753 /nfs/dbraw/zinc/49/47/53/622494753.db2.gz YMJNHUGRPUBXGF-YFKPBYRVSA-N -1 1 282.073 2.803 20 0 CFADMM CO[C@H](CC(C)C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910985775 622495216 /nfs/dbraw/zinc/49/52/16/622495216.db2.gz DVSQGWXCHNCSQF-LLVKDONJSA-N -1 1 273.279 2.670 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])C1(CCF)CC1 ZINC000910986027 622495388 /nfs/dbraw/zinc/49/53/88/622495388.db2.gz FHMGBHJJKSHRFB-UHFFFAOYSA-N -1 1 259.227 2.749 20 0 CFADMM CSC[C@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984699 622495324 /nfs/dbraw/zinc/49/53/24/622495324.db2.gz SHXSFHWOQKEJPS-LURJTMIESA-N -1 1 261.293 2.608 20 0 CFADMM CC(C)(C)C[C@H](O)CC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910987361 622495841 /nfs/dbraw/zinc/49/58/41/622495841.db2.gz LKGCDFGJPSKIPD-SECBINFHSA-N -1 1 287.306 2.796 20 0 CFADMM Cc1cn(C(C)(C)C(=O)Nc2cc(F)cc(F)c2[O-])cn1 ZINC000910994177 622496822 /nfs/dbraw/zinc/49/68/22/622496822.db2.gz SMOZXLSYPDCUFQ-UHFFFAOYSA-N -1 1 295.289 2.549 20 0 CFADMM Cc1cc(NC(=O)CN(C)CC(C)(C)C)cc(C(=O)[O-])c1 ZINC000911072903 622504017 /nfs/dbraw/zinc/50/40/17/622504017.db2.gz MZXJQKPFFUDFGC-UHFFFAOYSA-N -1 1 292.379 2.610 20 0 CFADMM O=C([O-])C12CCC(C(=O)Nc3ccc4nc[nH]c4c3)(CC1)C2 ZINC000911214240 622513665 /nfs/dbraw/zinc/51/36/65/622513665.db2.gz ZHKUBMBLJGFDIZ-UHFFFAOYSA-N -1 1 299.330 2.537 20 0 CFADMM C[C@H](CC(=O)[O-])CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000911422359 622521480 /nfs/dbraw/zinc/52/14/80/622521480.db2.gz WCTXRYYWZBITRH-LURJTMIESA-N -1 1 289.690 2.624 20 0 CFADMM CCCO[N-]C(=O)Cc1sc(C)cc1Br ZINC000911553368 622527004 /nfs/dbraw/zinc/52/70/04/622527004.db2.gz XHRGVFCHDJDSAO-UHFFFAOYSA-N -1 1 292.198 2.819 20 0 CFADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)CC(C)C)c1 ZINC000819959270 622585410 /nfs/dbraw/zinc/58/54/10/622585410.db2.gz AUMCCCFUNMVUEO-FKIZINRSSA-N -1 1 298.404 2.781 20 0 CFADMM C=C=CCNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000820189434 622623484 /nfs/dbraw/zinc/62/34/84/622623484.db2.gz FHQKBABXTBFWRF-UHFFFAOYSA-N -1 1 267.712 2.515 20 0 CFADMM COc1cccc(S([O-])=CC(=O)OC2(C)CCCC2)c1 ZINC000820251026 622635494 /nfs/dbraw/zinc/63/54/94/622635494.db2.gz MRBZWNQBTSHICC-FQEVSTJZSA-N -1 1 296.388 2.679 20 0 CFADMM COc1cc(C(=O)NN2CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000912156269 622653617 /nfs/dbraw/zinc/65/36/17/622653617.db2.gz QIKSIIRERVURHQ-VIFPVBQESA-N -1 1 298.770 2.573 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CCC(=O)C[C@H]1C1CC1 ZINC000912184517 622658645 /nfs/dbraw/zinc/65/86/45/622658645.db2.gz BHVORWYREODZKL-LBPRGKRZSA-N -1 1 293.750 2.629 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@@H]2CCC(C)(C)C2)[n-]1 ZINC000820684656 622736056 /nfs/dbraw/zinc/73/60/56/622736056.db2.gz ALJSOBTWSPCCDZ-SECBINFHSA-N -1 1 265.309 2.537 20 0 CFADMM O=C1c2ccc([O-])cc2O/C1=C\c1cccc2c1OCCO2 ZINC000054802833 622921812 /nfs/dbraw/zinc/92/18/12/622921812.db2.gz OPJLXZXYGHSHSY-NVNXTCNLSA-N -1 1 296.278 2.780 20 0 CFADMM COc1cccc(S([O-])=CC(=O)O[C@H]2CCC2(C)C)c1 ZINC000821828678 622986106 /nfs/dbraw/zinc/98/61/06/622986106.db2.gz NQGIRYIJDLWKLC-RBZFPXEDSA-N -1 1 296.388 2.535 20 0 CFADMM N#Cc1cccc(CNC(=O)c2c([O-])cccc2Cl)c1 ZINC000057306965 622997650 /nfs/dbraw/zinc/99/76/50/622997650.db2.gz DUNFZAUZGUGNFE-UHFFFAOYSA-N -1 1 286.718 2.847 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)[C@]12C[C@H]1COC21CCC1 ZINC000821970883 623013834 /nfs/dbraw/zinc/01/38/34/623013834.db2.gz SYARFRWANACYNN-AYVTZFPOSA-N -1 1 295.285 2.568 20 0 CFADMM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)Nc1ccc([O-])c(F)c1F ZINC000821980073 623014748 /nfs/dbraw/zinc/01/47/48/623014748.db2.gz FOHXNIREMCMORW-CABZTGNLSA-N -1 1 297.301 2.957 20 0 CFADMM CC1(C(=O)Nc2ccc([O-])c(F)c2F)CC=CC1 ZINC000821980046 623014818 /nfs/dbraw/zinc/01/48/18/623014818.db2.gz DMPLDESKHBASEE-UHFFFAOYSA-N -1 1 253.248 2.965 20 0 CFADMM C[C@@H](c1cc(F)ccc1F)N1CCC[C@@H](C(=O)[O-])C1 ZINC000226396236 623073190 /nfs/dbraw/zinc/07/31/90/623073190.db2.gz GKFCGZIGDFNLOU-VHSXEESVSA-N -1 1 269.291 2.822 20 0 CFADMM Cn1nc(C2CC2)cc1C(=O)Nc1cc([O-])c(F)cc1F ZINC000822542599 623123562 /nfs/dbraw/zinc/12/35/62/623123562.db2.gz FATYGQXAFBCFLE-UHFFFAOYSA-N -1 1 293.273 2.534 20 0 CFADMM Cc1ccc(-c2nc(C(=O)[N-]c3nonc3C)cs2)o1 ZINC000170799917 623184015 /nfs/dbraw/zinc/18/40/15/623184015.db2.gz KQZFAVNNMVQZQI-UHFFFAOYSA-N -1 1 290.304 2.655 20 0 CFADMM CCCN(Cn1[n-]c(-c2ccccn2)nc1=S)C1CC1 ZINC000172237076 623272564 /nfs/dbraw/zinc/27/25/64/623272564.db2.gz FZGHQSPFKYXMEL-UHFFFAOYSA-N -1 1 289.408 2.835 20 0 CFADMM COc1ccc(CNCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000232432092 623415451 /nfs/dbraw/zinc/41/54/51/623415451.db2.gz CQZSWGNCDPWOQA-UHFFFAOYSA-N -1 1 275.304 2.585 20 0 CFADMM O=C([N-][C@@H]1CCO[C@H]1c1ccccc1)C(F)(F)C(F)F ZINC000267268612 623498286 /nfs/dbraw/zinc/49/82/86/623498286.db2.gz ACSYWNYNKAMNQQ-ZJUUUORDSA-N -1 1 291.244 2.533 20 0 CFADMM CCC(C)(C)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000913648592 623543105 /nfs/dbraw/zinc/54/31/05/623543105.db2.gz KSPWJLBHWLWXOZ-UHFFFAOYSA-N -1 1 277.368 2.616 20 0 CFADMM CCc1nc(CNCc2cccc([O-])c2Cl)co1 ZINC000825061126 623620284 /nfs/dbraw/zinc/62/02/84/623620284.db2.gz AQHDSAFNAAADJT-UHFFFAOYSA-N -1 1 266.728 2.886 20 0 CFADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CCCS1 ZINC000834829381 623901665 /nfs/dbraw/zinc/90/16/65/623901665.db2.gz VRUSKKFRCISHAH-NSHDSACASA-N -1 1 271.769 2.557 20 0 CFADMM COc1cccc([C@@H](C)C(=O)[N-]OCC(C)C)c1 ZINC000153416901 623960068 /nfs/dbraw/zinc/96/00/68/623960068.db2.gz SXJXGOMPAHOABT-LLVKDONJSA-N -1 1 251.326 2.503 20 0 CFADMM CCc1cnc(CN(C)CC2CCN(C(=O)[O-])CC2)s1 ZINC000827610579 624045052 /nfs/dbraw/zinc/04/50/52/624045052.db2.gz PBTNLYYHITYKAB-UHFFFAOYSA-N -1 1 297.424 2.527 20 0 CFADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000828850128 624313002 /nfs/dbraw/zinc/31/30/02/624313002.db2.gz IVTJOEULLGSDTA-RJTWHSRJSA-N -1 1 291.778 2.954 20 0 CFADMM Cc1cc(CCC(=O)NCc2ccc([O-])c(Cl)c2)no1 ZINC000828850320 624313173 /nfs/dbraw/zinc/31/31/73/624313173.db2.gz KZKJUFXPCQKKQJ-UHFFFAOYSA-N -1 1 294.738 2.591 20 0 CFADMM COCCSC[C@@H](C)C(=O)c1ccc([O-])cc1 ZINC000917129545 624316326 /nfs/dbraw/zinc/31/63/26/624316326.db2.gz AFGYZHHHDYFTJR-SNVBAGLBSA-N -1 1 254.351 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280.327 2.866 20 0 CFADMM COC(=O)c1nc2ccc(-c3cc(F)cc(F)c3)nc2[n-]1 ZINC001239655477 779690247 /nfs/dbraw/zinc/69/02/47/779690247.db2.gz BLHVUYWMVVPABC-UHFFFAOYSA-N -1 1 289.241 2.690 20 0 CFADMM [O-]c1cc(F)c(CN2CC[C@@H]3OCC[C@H]3C2)cc1Cl ZINC001238150685 779754617 /nfs/dbraw/zinc/75/46/17/779754617.db2.gz XQAYAHGLESLBMI-XPTSAGLGSA-N -1 1 285.746 2.796 20 0 CFADMM CC(C)Oc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001239960607 779885586 /nfs/dbraw/zinc/88/55/86/779885586.db2.gz QYBJKGCOXFORGT-UHFFFAOYSA-N -1 1 281.319 2.716 20 0 CFADMM CC(C)Oc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001239960607 779885592 /nfs/dbraw/zinc/88/55/92/779885592.db2.gz QYBJKGCOXFORGT-UHFFFAOYSA-N -1 1 281.319 2.716 20 0 CFADMM Cc1cc2c(c(-c3c4cc[nH]c4ccc3F)n1)C(=O)[N-]C2=O ZINC001240206196 779992325 /nfs/dbraw/zinc/99/23/25/779992325.db2.gz TVSXPICCDAPNLG-UHFFFAOYSA-N -1 1 295.273 2.561 20 0 CFADMM COc1cc(-c2noc(-c3cc(C(C)=O)n[nH]3)n2)ccc1C ZINC001212429209 780172945 /nfs/dbraw/zinc/17/29/45/780172945.db2.gz 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/nfs/dbraw/zinc/36/75/85/780367585.db2.gz ARGFAYMAUZMNLY-UHFFFAOYSA-N -1 1 255.252 2.845 20 0 CFADMM COc1cc(-c2nccc3c2ccn3C)ccc1C(=O)[O-] ZINC001240741585 780406173 /nfs/dbraw/zinc/40/61/73/780406173.db2.gz HWVOQZCELDBPAU-UHFFFAOYSA-N -1 1 282.299 2.947 20 0 CFADMM COC(=O)c1cc2ccncc2nc1-c1ccc([O-])c(F)c1 ZINC001240782125 780436867 /nfs/dbraw/zinc/43/68/67/780436867.db2.gz QHHXJUQLLBIJCY-UHFFFAOYSA-N -1 1 298.273 2.928 20 0 CFADMM CCOC(=O)c1c(F)cncc1-c1ccc([O-])c(F)c1 ZINC001240786712 780441825 /nfs/dbraw/zinc/44/18/25/780441825.db2.gz QUDJZQAJIPXRRX-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM [O-]c1ccc(-c2cnc(OCC3CC3)cn2)cc1F ZINC001240790912 780446556 /nfs/dbraw/zinc/44/65/56/780446556.db2.gz QENAKMHEXRPKCO-UHFFFAOYSA-N -1 1 260.268 2.777 20 0 CFADMM Cc1ccc(C(=O)[O-])cc1-c1cc2[nH]cnc2cn1 ZINC001240999304 780582602 /nfs/dbraw/zinc/58/26/02/780582602.db2.gz KNRXOAFZQVNBIY-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM CCOc1cc(F)cc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1 ZINC001241026813 780600935 /nfs/dbraw/zinc/60/09/35/780600935.db2.gz SVLDCVLZVKMYOP-UHFFFAOYSA-N -1 1 299.301 2.704 20 0 CFADMM COC(=O)c1nc2cc(-c3ccc(O)cc3)ccc2[n-]1 ZINC001241063191 780621327 /nfs/dbraw/zinc/62/13/27/780621327.db2.gz ZJLMZQGWXJKPPP-UHFFFAOYSA-N -1 1 268.272 2.722 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc(O)cc3)cc2[n-]1 ZINC001241063191 780621329 /nfs/dbraw/zinc/62/13/29/780621329.db2.gz ZJLMZQGWXJKPPP-UHFFFAOYSA-N -1 1 268.272 2.722 20 0 CFADMM COc1cnc(SC)nc1-c1c(F)cc([O-])cc1F ZINC001241116659 780645186 /nfs/dbraw/zinc/64/51/86/780645186.db2.gz DVELLMWUTDOMFJ-UHFFFAOYSA-N -1 1 284.287 2.858 20 0 CFADMM COC(=O)c1cccnc1-c1c(F)cc([O-])cc1F ZINC001241117431 780646374 /nfs/dbraw/zinc/64/63/74/780646374.db2.gz OFSDVKJOGLBVHY-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM CCOC(=O)c1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241117409 780646693 /nfs/dbraw/zinc/64/66/93/780646693.db2.gz NMUCZHKKDPACPS-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM CC1(C)C(=O)Nc2cc(-c3c(F)cc([O-])cc3F)ncc21 ZINC001241120246 780648563 /nfs/dbraw/zinc/64/85/63/780648563.db2.gz NYOURUDFAAYADQ-UHFFFAOYSA-N -1 1 290.269 2.962 20 0 CFADMM CN1CCc2cc(-c3c(F)cc([O-])cc3F)ccc2C1=O ZINC001241121165 780649434 /nfs/dbraw/zinc/64/94/34/780649434.db2.gz CODYIEQDQNXXPY-UHFFFAOYSA-N -1 1 289.281 2.966 20 0 CFADMM O=c1c(-c2c(F)cc([O-])cc2F)cccn1CC1CC1 ZINC001241121446 780649831 /nfs/dbraw/zinc/64/98/31/780649831.db2.gz KGQAVGCRUOKIJI-UHFFFAOYSA-N -1 1 277.270 2.909 20 0 CFADMM CS(=O)(=O)c1cccc(-c2c(F)cc([O-])cc2F)c1 ZINC001241121690 780650600 /nfs/dbraw/zinc/65/06/00/780650600.db2.gz BQERIJMRBUCMIA-UHFFFAOYSA-N -1 1 284.283 2.741 20 0 CFADMM CC(=O)Nc1ncc(-c2c(F)cc([O-])cc2F)cc1C ZINC001241122369 780651048 /nfs/dbraw/zinc/65/10/48/780651048.db2.gz BFSSTQNUIYTCLG-UHFFFAOYSA-N -1 1 278.258 2.999 20 0 CFADMM O=C1NCCc2ccc(-c3c(F)cc([O-])cc3F)cc21 ZINC001241122773 780652026 /nfs/dbraw/zinc/65/20/26/780652026.db2.gz YJXZZPNITSUZNY-UHFFFAOYSA-N -1 1 275.254 2.623 20 0 CFADMM O=C1Cc2cc(-c3c(F)cc(F)cc3F)ccc2C(=O)[N-]1 ZINC001241174266 780682849 /nfs/dbraw/zinc/68/28/49/780682849.db2.gz USKTVELJEBUNNY-UHFFFAOYSA-N -1 1 291.228 2.583 20 0 CFADMM O=C([O-])c1ccc(-c2cccc3cncn32)cc1F ZINC001241186682 780690853 /nfs/dbraw/zinc/69/08/53/780690853.db2.gz VCDYEFVMZSKIJO-UHFFFAOYSA-N -1 1 256.236 2.839 20 0 CFADMM Cc1cc(NC2CC2)nc(-c2cc([O-])cc(F)c2)n1 ZINC001241258334 780739899 /nfs/dbraw/zinc/73/98/99/780739899.db2.gz ZHVVBOLPZCHYCK-UHFFFAOYSA-N -1 1 259.284 2.871 20 0 CFADMM [O-]c1cc(F)cc(-c2nc3[nH]cnc3c(C(F)(F)F)n2)c1 ZINC001241261777 780740897 /nfs/dbraw/zinc/74/08/97/780740897.db2.gz QJIQBYJQUQBPMO-UHFFFAOYSA-N -1 1 298.199 2.835 20 0 CFADMM CCc1cc(-c2c(F)ccc([O-])c2F)nc(C)n1 ZINC001241289052 780758612 /nfs/dbraw/zinc/75/86/12/780758612.db2.gz IPAVHZINTSBJKG-UHFFFAOYSA-N -1 1 250.248 2.998 20 0 CFADMM [O-]c1ccc(F)c(-c2nncc3cnccc32)c1F ZINC001241289043 780758701 /nfs/dbraw/zinc/75/87/01/780758701.db2.gz IFLWCFVGKSEYRQ-UHFFFAOYSA-N -1 1 259.215 2.676 20 0 CFADMM COC(=O)c1ccnc(-c2c(F)ccc([O-])c2F)c1F ZINC001241290691 780759820 /nfs/dbraw/zinc/75/98/20/780759820.db2.gz BDYKPCLHFMDGEU-UHFFFAOYSA-N -1 1 283.205 2.658 20 0 CFADMM CSc1ccc(-c2c(F)ccc([O-])c2F)nn1 ZINC001241290461 780760000 /nfs/dbraw/zinc/76/00/00/780760000.db2.gz SMAAERIESQOSGN-UHFFFAOYSA-N -1 1 254.261 2.849 20 0 CFADMM [O-]c1ccc(F)c(-c2ccnc(N3CCCC3)n2)c1F ZINC001241289500 780760231 /nfs/dbraw/zinc/76/02/31/780760231.db2.gz UJJQNBWASOAFGH-UHFFFAOYSA-N -1 1 277.274 2.728 20 0 CFADMM CCOC(=O)c1ccc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241291024 780761572 /nfs/dbraw/zinc/76/15/72/780761572.db2.gz UGRDDPBWGKOHQZ-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM COc1nccc2c1ncnc2-c1c(F)ccc([O-])c1F ZINC001241291466 780761904 /nfs/dbraw/zinc/76/19/04/780761904.db2.gz LXOHVJVBNFCCNL-UHFFFAOYSA-N -1 1 289.241 2.684 20 0 CFADMM Nc1ccc2ccc(-c3c(F)ccc([O-])c3F)nc2n1 ZINC001241291097 780762035 /nfs/dbraw/zinc/76/20/35/780762035.db2.gz JFMQRXDJTYRDLK-UHFFFAOYSA-N -1 1 273.242 2.863 20 0 CFADMM [O-]c1ccc(F)c(-c2cnc(N3CCCC3)cn2)c1F ZINC001241292993 780763050 /nfs/dbraw/zinc/76/30/50/780763050.db2.gz MBKODZUJFNJGHK-UHFFFAOYSA-N -1 1 277.274 2.728 20 0 CFADMM O=C([O-])c1cccc(-c2nc[nH]c3nc(=S)sc2-3)c1 ZINC001241358464 780809394 /nfs/dbraw/zinc/80/93/94/780809394.db2.gz PPPXWXAPXWTPHL-UHFFFAOYSA-N -1 1 289.341 2.740 20 0 CFADMM CC[C@H](C)C[C@H](CC)Oc1nc(=O)[n-]cc1C(=O)OC ZINC001229872293 780857489 /nfs/dbraw/zinc/85/74/89/780857489.db2.gz HYDXVXUNVGJSSA-UWVGGRQHSA-N -1 1 282.340 2.562 20 0 CFADMM COc1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1Cl ZINC001241858546 781156368 /nfs/dbraw/zinc/15/63/68/781156368.db2.gz RNWIIJNXYLFWRR-UHFFFAOYSA-N -1 1 287.710 2.591 20 0 CFADMM COc1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1Cl ZINC001241858546 781156371 /nfs/dbraw/zinc/15/63/71/781156371.db2.gz RNWIIJNXYLFWRR-UHFFFAOYSA-N -1 1 287.710 2.591 20 0 CFADMM C=Cc1cccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1 ZINC001241963535 781206411 /nfs/dbraw/zinc/20/64/11/781206411.db2.gz JABYWQQQCDJYKI-UHFFFAOYSA-N -1 1 263.296 2.809 20 0 CFADMM COc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nn1 ZINC001242147641 781300587 /nfs/dbraw/zinc/30/05/87/781300587.db2.gz CDCGQUGZMWFZPP-UHFFFAOYSA-N -1 1 270.210 2.877 20 0 CFADMM [O-]c1ccc(-c2cc3c(nn2)CCOC3)cc1C(F)(F)F ZINC001242157178 781306612 /nfs/dbraw/zinc/30/66/12/781306612.db2.gz CZJLTUHULAFSRU-UHFFFAOYSA-N -1 1 296.248 2.941 20 0 CFADMM Cc1c(F)cc(C(=O)[O-])cc1-c1cc2[nH]nnc2cc1F ZINC001242211385 781328175 /nfs/dbraw/zinc/32/81/75/781328175.db2.gz VFIRETOEIYARRJ-UHFFFAOYSA-N -1 1 289.241 2.910 20 0 CFADMM [O-]c1cc(F)ccc1-c1cncc2cc(CO)oc21 ZINC001242217670 781332905 /nfs/dbraw/zinc/33/29/05/781332905.db2.gz IPHLUINFCHRHJK-UHFFFAOYSA-N -1 1 259.236 2.832 20 0 CFADMM O=c1c(-c2ccc(F)cc2[O-])cccn1Cc1ccccn1 ZINC001242219412 781334715 /nfs/dbraw/zinc/33/47/15/781334715.db2.gz SCBNZSXYPPYXDU-UHFFFAOYSA-N -1 1 296.301 2.803 20 0 CFADMM [O-]c1cc(F)ccc1-c1cnc(OC2CCC2)nc1 ZINC001242219748 781334899 /nfs/dbraw/zinc/33/48/99/781334899.db2.gz ORBZQCABGYHDBY-UHFFFAOYSA-N -1 1 260.268 2.920 20 0 CFADMM O=C(NCCOc1ccccc1)c1c([O-])cccc1Cl ZINC000141726280 781377521 /nfs/dbraw/zinc/37/75/21/781377521.db2.gz FMPMQXPUAGEBTA-UHFFFAOYSA-N -1 1 291.734 2.854 20 0 CFADMM CS(=O)(=O)Nc1ccc(F)c(-c2cccc(F)c2[O-])c1 ZINC001242352367 781424767 /nfs/dbraw/zinc/42/47/67/781424767.db2.gz UMYFGCJYWQLQFP-UHFFFAOYSA-N -1 1 299.298 2.709 20 0 CFADMM COc1nc(OC)c(-c2cccc(F)c2[O-])cc1C ZINC001242352973 781426073 /nfs/dbraw/zinc/42/60/73/781426073.db2.gz IXDMGYNVNLTOBI-UHFFFAOYSA-N -1 1 263.268 2.919 20 0 CFADMM O=c1[nH]c(=O)c2cc(-c3cccc(Cl)c3[O-])ccc2o1 ZINC001242366447 781439041 /nfs/dbraw/zinc/43/90/41/781439041.db2.gz MRAXICMKJWYCSU-UHFFFAOYSA-N -1 1 289.674 2.920 20 0 CFADMM CC(C)Cn1cc(-c2cccc(Cl)c2[O-])cnc1=O ZINC001242366684 781439181 /nfs/dbraw/zinc/43/91/81/781439181.db2.gz BFOCMAUTINHQTF-UHFFFAOYSA-N -1 1 278.739 2.925 20 0 CFADMM COCCn1ccc(-c2cccc(Cl)c2[O-])cc1=O ZINC001242367695 781440789 /nfs/dbraw/zinc/44/07/89/781440789.db2.gz QFPPOCDSGLGGNH-UHFFFAOYSA-N -1 1 279.723 2.521 20 0 CFADMM O=C([O-])c1cccc(-c2cc3[nH]nnc3cc2F)c1F ZINC001242379178 781447881 /nfs/dbraw/zinc/44/78/81/781447881.db2.gz HHWDRZJYFKFURP-UHFFFAOYSA-N -1 1 275.214 2.601 20 0 CFADMM Cn1cnc2cnc(-c3cccc([O-])c3Cl)cc21 ZINC001242798393 781763821 /nfs/dbraw/zinc/76/38/21/781763821.db2.gz VEAFQUYRSCEKAB-UHFFFAOYSA-N -1 1 259.696 2.994 20 0 CFADMM CCOC(=O)c1cncc(-c2cccc([O-])c2Cl)n1 ZINC001242797781 781763991 /nfs/dbraw/zinc/76/39/91/781763991.db2.gz LVYDZMUADFIMBD-UHFFFAOYSA-N -1 1 278.695 2.679 20 0 CFADMM COCc1ccnc(-c2cccc([O-])c2Cl)n1 ZINC001242798310 781764040 /nfs/dbraw/zinc/76/40/40/781764040.db2.gz RNNFUMZWHQXWQK-UHFFFAOYSA-N -1 1 250.685 2.649 20 0 CFADMM CCOC(=O)Cc1cncnc1-c1cccc([O-])c1Cl ZINC001242798766 781764367 /nfs/dbraw/zinc/76/43/67/781764367.db2.gz YTUHHHUZWZPCJA-UHFFFAOYSA-N -1 1 292.722 2.608 20 0 CFADMM [O-]c1cccc(-c2ncnc3c2COCC3)c1Cl ZINC001242798731 781764681 /nfs/dbraw/zinc/76/46/81/781764681.db2.gz XHWHXTCJFKQHSN-UHFFFAOYSA-N -1 1 262.696 2.575 20 0 CFADMM CON(C)C(=O)c1cncc(-c2cccc([O-])c2Cl)c1 ZINC001242799521 781765318 /nfs/dbraw/zinc/76/53/18/781765318.db2.gz PKXWOLIRKAFNEH-UHFFFAOYSA-N -1 1 292.722 2.741 20 0 CFADMM COCCOc1ccc(-c2cccc([O-])c2Cl)nn1 ZINC001242799921 781765770 /nfs/dbraw/zinc/76/57/70/781765770.db2.gz AFNIAHBXGAIYKN-UHFFFAOYSA-N -1 1 280.711 2.528 20 0 CFADMM CC(C)NC(=O)c1ccc(-c2cccc([O-])c2Cl)nn1 ZINC001242799976 781766238 /nfs/dbraw/zinc/76/62/38/781766238.db2.gz BAZSACGMBYZCCX-UHFFFAOYSA-N -1 1 291.738 2.641 20 0 CFADMM COc1cccc(-c2cccc([O-])c2Cl)c1C(N)=O ZINC001242802701 781766728 /nfs/dbraw/zinc/76/67/28/781766728.db2.gz FXKOUJNVBBMBJZ-UHFFFAOYSA-N -1 1 277.707 2.820 20 0 CFADMM O=C1Cc2c(cccc2-c2cccc([O-])c2Cl)CN1 ZINC001242802150 781767135 /nfs/dbraw/zinc/76/71/35/781767135.db2.gz SXMPMERVCYUHIY-UHFFFAOYSA-N -1 1 273.719 2.885 20 0 CFADMM [O-]c1cccc(-c2ccc(Cn3cncn3)cn2)c1Cl ZINC001242801763 781767745 /nfs/dbraw/zinc/76/77/45/781767745.db2.gz YFSMLHYNVBIKCB-UHFFFAOYSA-N -1 1 286.722 2.747 20 0 CFADMM COC(=O)c1nc2cc(-c3c[nH]c4ncccc34)ccc2[n-]1 ZINC001242861872 781805940 /nfs/dbraw/zinc/80/59/40/781805940.db2.gz AEFFQDNTTHSRTR-UHFFFAOYSA-N -1 1 292.298 2.893 20 0 CFADMM COC(=O)c1nc2ccc(-c3c[nH]c4ncccc34)cc2[n-]1 ZINC001242861872 781805950 /nfs/dbraw/zinc/80/59/50/781805950.db2.gz AEFFQDNTTHSRTR-UHFFFAOYSA-N -1 1 292.298 2.893 20 0 CFADMM COC(=O)c1nc2ccc(-c3cnn4ccccc34)cc2[n-]1 ZINC001242961644 781880349 /nfs/dbraw/zinc/88/03/49/781880349.db2.gz KTRABKXTBABSTB-UHFFFAOYSA-N -1 1 292.298 2.664 20 0 CFADMM COC(=O)c1nc2cc(-c3cnn4ccccc34)ccc2[n-]1 ZINC001242961644 781880360 /nfs/dbraw/zinc/88/03/60/781880360.db2.gz KTRABKXTBABSTB-UHFFFAOYSA-N -1 1 292.298 2.664 20 0 CFADMM C[C@H]1C[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H](C)C1 ZINC000822353722 781899062 /nfs/dbraw/zinc/89/90/62/781899062.db2.gz WYDLDIINUNQHLQ-IAZYJMLFSA-N -1 1 289.379 2.614 20 0 CFADMM C[C@@H]1CC(NC(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H](C)C1 ZINC000822353725 781899423 /nfs/dbraw/zinc/89/94/23/781899423.db2.gz WYDLDIINUNQHLQ-UWVGGRQHSA-N -1 1 289.379 2.614 20 0 CFADMM CC[C@]1(C(C)C)C[C@H]1N=c1nc([C@H](C)OC)[n-]s1 ZINC000413387604 529390630 /nfs/dbraw/zinc/39/06/30/529390630.db2.gz VQEWOUAZPANWFB-OPQQBVKSSA-N -1 1 269.414 2.904 20 0 CFADMM CC1(C)CN(C(=O)C(=O)c2ccc([O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000294973401 199277957 /nfs/dbraw/zinc/27/79/57/199277957.db2.gz YYPVAPJZRNPNHX-UONOGXRCSA-N -1 1 287.359 2.612 20 0 CFADMM CCC(CC)n1ccc(CN2CCC[C@H]2CC(=O)[O-])n1 ZINC000069996970 346904750 /nfs/dbraw/zinc/90/47/50/346904750.db2.gz JKMBCEBBOBMMFJ-AWEZNQCLSA-N -1 1 279.384 2.683 20 0 CFADMM CCc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)s1 ZINC000126169515 187221490 /nfs/dbraw/zinc/22/14/90/187221490.db2.gz DKCARXBJQJLAMU-UHFFFAOYSA-N -1 1 299.421 2.958 20 0 CFADMM CCOCCN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000127388015 187301478 /nfs/dbraw/zinc/30/14/78/187301478.db2.gz UKVVOMWWXCAPOV-UHFFFAOYSA-N -1 1 273.332 2.654 20 0 CFADMM CCCc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)n[nH]1 ZINC000129574850 539465424 /nfs/dbraw/zinc/46/54/24/539465424.db2.gz BTMJJEBEOLRMSS-UHFFFAOYSA-N -1 1 279.727 2.974 20 0 CFADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(C)C)n[nH]1 ZINC000126172101 232202821 /nfs/dbraw/zinc/20/28/21/232202821.db2.gz OCUVWTZJXDTHJE-UHFFFAOYSA-N -1 1 297.355 2.781 20 0 CFADMM COc1cc(F)c(NC(=O)c2ccc(O)cc2[O-])cc1F ZINC000163279116 232256408 /nfs/dbraw/zinc/25/64/08/232256408.db2.gz PUGRSADATATRKZ-UHFFFAOYSA-N -1 1 295.241 2.637 20 0 CFADMM O=C(Nc1cccc(N2CCOC2=O)c1)c1ccccc1[O-] ZINC000029802630 346283875 /nfs/dbraw/zinc/28/38/75/346283875.db2.gz OHFSUJHBUQASFF-UHFFFAOYSA-N -1 1 298.298 2.601 20 0 CFADMM CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1c([O-])cccc1F ZINC000128407587 187367856 /nfs/dbraw/zinc/36/78/56/187367856.db2.gz BCCRUNMULGPNQX-XHDPSFHLSA-N -1 1 295.354 2.712 20 0 CFADMM COc1ccc(C(=O)Nc2ccc3c[nH]nc3c2)c([O-])c1 ZINC000194004551 232500848 /nfs/dbraw/zinc/50/08/48/232500848.db2.gz UQFAFFGUBCAVIB-UHFFFAOYSA-N -1 1 283.287 2.529 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)CC)n1 ZINC000085682988 179114680 /nfs/dbraw/zinc/11/46/80/179114680.db2.gz MYLBAGAAVRAPLR-MRVPVSSYSA-N -1 1 254.355 2.594 20 0 CFADMM Cc1ccc(CCS(=O)(=O)c2ccc([O-])cc2)cc1 ZINC000077647177 347207375 /nfs/dbraw/zinc/20/73/75/347207375.db2.gz KPHQMVUSFKKELG-UHFFFAOYSA-N -1 1 276.357 2.717 20 0 CFADMM Cc1ccoc1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000310776165 232652072 /nfs/dbraw/zinc/65/20/72/232652072.db2.gz QJYHITCLBYPBCS-UHFFFAOYSA-N -1 1 265.696 2.877 20 0 CFADMM COCc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000080053628 347341189 /nfs/dbraw/zinc/34/11/89/347341189.db2.gz ATOFYXJRFWWWHH-UHFFFAOYSA-N -1 1 291.372 2.942 20 0 CFADMM O=C(N[C@@H]1CCc2c1cccc2O)c1cc(F)ccc1[O-] ZINC000081958793 347440435 /nfs/dbraw/zinc/44/04/35/347440435.db2.gz WKLOXGYBRAQWKR-CYBMUJFWSA-N -1 1 287.290 2.654 20 0 CFADMM O=C([O-])C[C@H]1CN(Cc2cccc3ccccc32)CCO1 ZINC000091297410 347581541 /nfs/dbraw/zinc/58/15/41/347581541.db2.gz XXPBXIJQEKTCHD-HNNXBMFYSA-N -1 1 285.343 2.515 20 0 CFADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1coc(-c2cccs2)n1 ZINC000092925897 347651961 /nfs/dbraw/zinc/65/19/61/347651961.db2.gz LDRZTUJGKSVBQX-KOLCDFICSA-N -1 1 292.360 2.698 20 0 CFADMM CCC(CC)n1ccc(CN2CC[C@@H](C(=O)[O-])[C@@H]2C)n1 ZINC000092926730 347652236 /nfs/dbraw/zinc/65/22/36/347652236.db2.gz MCWNVQHOUIJGIP-SMDDNHRTSA-N -1 1 279.384 2.539 20 0 CFADMM C[C@H](CNC(=O)c1ccc(Br)cc1[O-])C1CC1 ZINC000133477819 347892281 /nfs/dbraw/zinc/89/22/81/347892281.db2.gz MXZPFFLTDRTKLQ-MRVPVSSYSA-N -1 1 298.180 2.931 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc2n(n1)CCCC2 ZINC000334652709 304003293 /nfs/dbraw/zinc/00/32/93/304003293.db2.gz SIDKCYGJHZETBY-UHFFFAOYSA-N -1 1 291.738 2.831 20 0 CFADMM COCc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000171328863 348075482 /nfs/dbraw/zinc/07/54/82/348075482.db2.gz DEGBCGDZDQKHEA-UHFFFAOYSA-N -1 1 277.345 2.634 20 0 CFADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1ccc(Cl)cc1F ZINC000162564222 348031123 /nfs/dbraw/zinc/03/11/23/348031123.db2.gz KJMKNTPAHAGETQ-KCJUWKMLSA-N -1 1 271.719 2.774 20 0 CFADMM O=C([O-])C1CN(Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000086810962 179341007 /nfs/dbraw/zinc/34/10/07/179341007.db2.gz AMTPQTNWFFHNJJ-UHFFFAOYSA-N -1 1 291.294 2.815 20 0 CFADMM COc1cccc(C)c1NC(=O)c1ccccc1[O-] ZINC000195002790 348145399 /nfs/dbraw/zinc/14/53/99/348145399.db2.gz SFGDJCJDQCNIQK-UHFFFAOYSA-N -1 1 257.289 2.962 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000224502040 348175972 /nfs/dbraw/zinc/17/59/72/348175972.db2.gz PIMYCQMAJSYAFL-UHFFFAOYSA-N -1 1 253.348 2.857 20 0 CFADMM CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000232838328 348213822 /nfs/dbraw/zinc/21/38/22/348213822.db2.gz NMPDDRBOOPSELE-MRXNPFEDSA-N -1 1 288.347 2.761 20 0 CFADMM C[C@@H](c1cccc2ccccc21)[N@H+]1CCO[C@@H](C(=O)[O-])C1 ZINC000226452149 348183532 /nfs/dbraw/zinc/18/35/32/348183532.db2.gz DPLRRLWUEGLQLP-BLLLJJGKSA-N -1 1 285.343 2.686 20 0 CFADMM C[C@@H](c1cccc2ccccc21)N1CCO[C@@H](C(=O)[O-])C1 ZINC000226452149 348183537 /nfs/dbraw/zinc/18/35/37/348183537.db2.gz DPLRRLWUEGLQLP-BLLLJJGKSA-N -1 1 285.343 2.686 20 0 CFADMM Cc1nc(S[C@@H](C)C(=O)c2ccco2)[n-]c(=O)c1C ZINC000413003420 233000259 /nfs/dbraw/zinc/00/02/59/233000259.db2.gz UOBIQZVJXDXPAC-VIFPVBQESA-N -1 1 278.333 2.756 20 0 CFADMM O=c1[n-]c(-c2cccc(O)c2)nc2cccc(F)c12 ZINC000591726994 349040464 /nfs/dbraw/zinc/04/04/64/349040464.db2.gz TWZLWTRYFFPQQH-UHFFFAOYSA-N -1 1 256.236 2.847 20 0 CFADMM CO[C@@H](C)c1nc(=N[C@@H]2CCCC[C@H]2SC)s[n-]1 ZINC000593484674 349280990 /nfs/dbraw/zinc/28/09/90/349280990.db2.gz JFNZKVZIHCYPLA-IVZWLZJFSA-N -1 1 287.454 2.754 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])C(C)(C)C1 ZINC000271364609 191099114 /nfs/dbraw/zinc/09/91/14/191099114.db2.gz JGHIEGWWFLIPTC-VIFPVBQESA-N -1 1 251.301 2.792 20 0 CFADMM CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000599254341 350400634 /nfs/dbraw/zinc/40/06/34/350400634.db2.gz WGVUYCRJAJJQMX-LLVKDONJSA-N -1 1 297.782 2.821 20 0 CFADMM Cc1cccc(CN(C)Cc2ccc(C(=O)[O-])cc2)n1 ZINC000092430895 180384396 /nfs/dbraw/zinc/38/43/96/180384396.db2.gz MHLBLGKRQSIDAZ-UHFFFAOYSA-N -1 1 270.332 2.720 20 0 CFADMM CCCCN(CCCC)C(=O)c1cncc([O-])c1 ZINC000109040674 186240602 /nfs/dbraw/zinc/24/06/02/186240602.db2.gz XGMIKFPDPYYCFR-UHFFFAOYSA-N -1 1 250.342 2.830 20 0 CFADMM O=C(N[C@@H](c1ccccc1)C1CC1)c1cncc([O-])c1 ZINC000109042837 186240955 /nfs/dbraw/zinc/24/09/55/186240955.db2.gz CEWYGHUKWQPTDU-HNNXBMFYSA-N -1 1 268.316 2.668 20 0 CFADMM COc1ccc(C)cc1[C@H](C)NC(=O)c1cncc([O-])c1 ZINC000109042700 186241453 /nfs/dbraw/zinc/24/14/53/186241453.db2.gz NMXCHQYCQMZNDH-NSHDSACASA-N -1 1 286.331 2.595 20 0 CFADMM CN(Cc1ccc(Cl)s1)C(=O)c1cncc([O-])c1 ZINC000109040802 186241748 /nfs/dbraw/zinc/24/17/48/186241748.db2.gz UQKFVWNMPAREPZ-UHFFFAOYSA-N -1 1 282.752 2.774 20 0 CFADMM Cc1ccc(SCC(=O)Nc2ccncc2[O-])cc1 ZINC000109890672 186278079 /nfs/dbraw/zinc/27/80/79/186278079.db2.gz AQLYVPDZZHRTTG-UHFFFAOYSA-N -1 1 274.345 2.826 20 0 CFADMM CCCc1c(C)[n-]n(-c2cccc(C(=O)OC)c2F)c1=O ZINC000601949549 350816172 /nfs/dbraw/zinc/81/61/72/350816172.db2.gz MQXTUMLJSSQQLN-JTQLQIEISA-N -1 1 292.310 2.751 20 0 CFADMM CCCc1cc(=O)n(-c2ccc(F)c(C(=O)OC)c2)[n-]1 ZINC000601950417 350816938 /nfs/dbraw/zinc/81/69/38/350816938.db2.gz OFCXCYOYZSWYMQ-UHFFFAOYSA-N -1 1 278.283 2.505 20 0 CFADMM CCc1ncc(C(=O)Nc2c([O-])cccc2F)s1 ZINC000608367197 351426750 /nfs/dbraw/zinc/42/67/50/351426750.db2.gz MMQMLEDSFWSVCE-UHFFFAOYSA-N -1 1 266.297 2.803 20 0 CFADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CCCS1 ZINC000608352326 351422828 /nfs/dbraw/zinc/42/28/28/351422828.db2.gz HHRBXUDEIKNUBP-GFCCVEGCSA-N -1 1 289.360 2.616 20 0 CFADMM Cc1noc2ncc(C(=O)Nc3c([O-])cccc3F)cc12 ZINC000608365335 351425480 /nfs/dbraw/zinc/42/54/80/351425480.db2.gz GQHVPDWEWZPDHN-UHFFFAOYSA-N -1 1 287.250 2.628 20 0 CFADMM Cc1ncc(Cl)c(C(=O)Nc2c([O-])cccc2F)n1 ZINC000608366432 351425508 /nfs/dbraw/zinc/42/55/08/351425508.db2.gz VKAPGTITUWMXGI-UHFFFAOYSA-N -1 1 281.674 2.535 20 0 CFADMM O=C(Cc1ccsc1)Nc1c([O-])cccc1F ZINC000608366760 351426304 /nfs/dbraw/zinc/42/63/04/351426304.db2.gz XZJLJWHENRDQLR-UHFFFAOYSA-N -1 1 251.282 2.774 20 0 CFADMM C[C@@H]1C[C@H](CNC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000271436892 191136311 /nfs/dbraw/zinc/13/63/11/191136311.db2.gz GOYBYLHRKWABNG-NXEZZACHSA-N -1 1 283.755 2.591 20 0 CFADMM O=C(CSCc1cccnc1)Nc1c([O-])cccc1F ZINC000609851254 351522945 /nfs/dbraw/zinc/52/29/45/351522945.db2.gz ZNKMYFAOULXMED-UHFFFAOYSA-N -1 1 292.335 2.798 20 0 CFADMM Cc1cccc2c1CCCN2C(=O)c1cncc([O-])c1 ZINC000670788338 539820961 /nfs/dbraw/zinc/82/09/61/539820961.db2.gz RBOJBDNABOZMCE-UHFFFAOYSA-N -1 1 268.316 2.689 20 0 CFADMM O=C(N[C@@H]1CCC(F)(F)C1)c1ncc2ccccc2c1[O-] ZINC000612490721 351826848 /nfs/dbraw/zinc/82/68/48/351826848.db2.gz ODCVPVNYNPAASS-SNVBAGLBSA-N -1 1 292.285 2.858 20 0 CFADMM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ncccc1[O-] ZINC000122804626 187052684 /nfs/dbraw/zinc/05/26/84/187052684.db2.gz ZCOHJNBCYNWMRM-SECBINFHSA-N -1 1 292.285 2.899 20 0 CFADMM CCc1noc(C)c1[N-]C(=O)c1onc2c1CCCC2 ZINC000612984951 351884643 /nfs/dbraw/zinc/88/46/43/351884643.db2.gz SSIMPGDJLHFQAR-UHFFFAOYSA-N -1 1 275.308 2.665 20 0 CFADMM Cc1ccn([C@@H](C)CC(=O)Nc2c([O-])cccc2F)n1 ZINC000613026745 351891125 /nfs/dbraw/zinc/89/11/25/351891125.db2.gz IMKGMJPKDNSCMV-JTQLQIEISA-N -1 1 277.299 2.626 20 0 CFADMM CCS[C@H]1CCC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000613512323 351973704 /nfs/dbraw/zinc/97/37/04/351973704.db2.gz QWNQGYFZKPKHNB-YPMHNXCESA-N -1 1 283.368 2.935 20 0 CFADMM CS[C@@H]1CCCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000613516984 351974523 /nfs/dbraw/zinc/97/45/23/351974523.db2.gz AFXQWSOYUFBJKX-LLVKDONJSA-N -1 1 283.368 2.889 20 0 CFADMM CC[C@H](C(=O)Nc1c(C)[n-][nH]c1=O)c1ccc(OC)cc1 ZINC000615220372 352168784 /nfs/dbraw/zinc/16/87/84/352168784.db2.gz FTSGRIRZPGHMGN-LBPRGKRZSA-N -1 1 289.335 2.565 20 0 CFADMM CC[C@H]1CCCC[C@@H]1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000615222087 352169582 /nfs/dbraw/zinc/16/95/82/352169582.db2.gz OXYVFNCZEACOHD-UWVGGRQHSA-N -1 1 251.330 2.579 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCCc2sccc21 ZINC000615222549 352169703 /nfs/dbraw/zinc/16/97/03/352169703.db2.gz SOOYPYRULSYPJZ-SECBINFHSA-N -1 1 277.349 2.544 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(c2ccc(C)cc2)CCC1 ZINC000615226680 352169805 /nfs/dbraw/zinc/16/98/05/352169805.db2.gz BRDQRWMVWPHREY-UHFFFAOYSA-N -1 1 285.347 2.793 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H]1C(F)(F)F ZINC000615034326 352145780 /nfs/dbraw/zinc/14/57/80/352145780.db2.gz YEEBJULWGMUWFI-VIFPVBQESA-N -1 1 279.645 2.822 20 0 CFADMM CC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000615586702 352213128 /nfs/dbraw/zinc/21/31/28/352213128.db2.gz STEDNMHNCHVODN-LBPRGKRZSA-N -1 1 281.739 2.629 20 0 CFADMM O=C(c1ncc2ccccc2c1[O-])N1CC[C@H]1C1CC1 ZINC000615684793 352229800 /nfs/dbraw/zinc/22/98/00/352229800.db2.gz FEJURKVHYVPGBA-ZDUSSCGKSA-N -1 1 268.316 2.565 20 0 CFADMM C[C@@H]1C[C@@H](NC(=O)c2ncc3ccccc3c2[O-])CS1 ZINC000616270794 352317928 /nfs/dbraw/zinc/31/79/28/352317928.db2.gz JANDVFQJQPFYQL-MWLCHTKSSA-N -1 1 288.372 2.564 20 0 CFADMM O=C(NCC1CSC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000616054248 352277789 /nfs/dbraw/zinc/27/77/89/352277789.db2.gz QMOVLPZHPZHOIZ-UHFFFAOYSA-N -1 1 291.294 2.504 20 0 CFADMM C[C@@H]1CCC(C)(C)N1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000616165460 352294470 /nfs/dbraw/zinc/29/44/70/352294470.db2.gz PZLYXRDRMSNZOF-SECBINFHSA-N -1 1 279.409 2.542 20 0 CFADMM CC1(C)CN(C(=O)c2c(F)ccc([O-])c2F)[C@@H]1C1CC1 ZINC000292012812 198134748 /nfs/dbraw/zinc/13/47/48/198134748.db2.gz YYFSZHLZDQNMNA-CYBMUJFWSA-N -1 1 281.302 2.931 20 0 CFADMM O=C(c1ncc2ccccc2c1[O-])N1CC(CC(F)F)C1 ZINC000616422160 352346894 /nfs/dbraw/zinc/34/68/94/352346894.db2.gz QJAKWTVNJXZNMY-UHFFFAOYSA-N -1 1 292.285 2.668 20 0 CFADMM CC(C)C[C@@H](C(=O)Nc1nnn[n-]1)c1ccc(Cl)cc1 ZINC000668867937 539867318 /nfs/dbraw/zinc/86/73/18/539867318.db2.gz WDYRCVNEZNSJHE-LLVKDONJSA-N -1 1 293.758 2.622 20 0 CFADMM CC(C)C[C@@H](C(=O)Nc1nn[n-]n1)c1ccc(Cl)cc1 ZINC000668867937 539867321 /nfs/dbraw/zinc/86/73/21/539867321.db2.gz WDYRCVNEZNSJHE-LLVKDONJSA-N -1 1 293.758 2.622 20 0 CFADMM O=C(N[C@@]12C[C@@H]1CCC2)c1cc(Br)ccc1[O-] ZINC000617201970 352512132 /nfs/dbraw/zinc/51/21/32/352512132.db2.gz JYHUYZCBEMZUIF-SDBXPKJASA-N -1 1 296.164 2.827 20 0 CFADMM C[C@@H]1CC(CNC(=O)C(=O)c2ccc([O-])cc2)C[C@@H](C)C1 ZINC000617668013 352624213 /nfs/dbraw/zinc/62/42/13/352624213.db2.gz KCZLKEXVZZTVBV-RYUDHWBXSA-N -1 1 289.375 2.763 20 0 CFADMM C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])[C@H]1CCO ZINC000618002738 352693979 /nfs/dbraw/zinc/69/39/79/352693979.db2.gz JBUSCJVFFHOTIO-MFKMUULPSA-N -1 1 297.782 2.669 20 0 CFADMM Cc1ccc(N(Cc2ccco2)Cc2nc(=O)[n-][nH]2)cc1C ZINC000271601354 191235750 /nfs/dbraw/zinc/23/57/50/191235750.db2.gz ILGVJUVSJHQIGA-UHFFFAOYSA-N -1 1 298.346 2.515 20 0 CFADMM CCc1ccc(C(=O)Nc2c(C)cnn2CC)c([O-])c1 ZINC000618437654 352776455 /nfs/dbraw/zinc/77/64/55/352776455.db2.gz AMUTYLPRMWDGMT-UHFFFAOYSA-N -1 1 273.336 2.732 20 0 CFADMM C[C@H]1CCC[C@H](CNC(=O)c2ccc(Cl)cc2[O-])O1 ZINC000618571026 352813740 /nfs/dbraw/zinc/81/37/40/352813740.db2.gz ZJECAXZAKQKYIW-GXSJLCMTSA-N -1 1 283.755 2.733 20 0 CFADMM CCn1ncc(C)c1NC(=O)c1cc(SC)ccc1[O-] ZINC000618445585 352779943 /nfs/dbraw/zinc/77/99/43/352779943.db2.gz WANBRSKVJWOPTM-UHFFFAOYSA-N -1 1 291.376 2.891 20 0 CFADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000669067473 539942408 /nfs/dbraw/zinc/94/24/08/539942408.db2.gz YRJQVCFZMXHREA-GHMZBOCLSA-N -1 1 270.332 2.811 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H](CCF)C1 ZINC000618697170 352863844 /nfs/dbraw/zinc/86/38/44/352863844.db2.gz JHZWOELQFOIGQQ-SNVBAGLBSA-N -1 1 269.291 2.743 20 0 CFADMM C[C@]1(CNC(=O)c2ccc(Cl)cc2[O-])CC1(F)F ZINC000618603617 352832861 /nfs/dbraw/zinc/83/28/61/352832861.db2.gz MVUFJUXIFJKRBC-LLVKDONJSA-N -1 1 275.682 2.821 20 0 CFADMM C[C@@H](O)[C@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000618915404 352910186 /nfs/dbraw/zinc/91/01/86/352910186.db2.gz QPHHMZGGWCZIAL-IAQYHMDHSA-N -1 1 285.343 2.531 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1cc[nH]c1C1CC1 ZINC000670814515 539951530 /nfs/dbraw/zinc/95/15/30/539951530.db2.gz APUIYHZWUMTBLX-UHFFFAOYSA-N -1 1 260.268 2.989 20 0 CFADMM O=C(N[C@H]1C[C@H](O)C12CCC2)c1cc2ccccc2cc1[O-] ZINC000619088526 352949668 /nfs/dbraw/zinc/94/96/68/352949668.db2.gz IPQYJCLILCQIDU-HOTGVXAUSA-N -1 1 297.354 2.579 20 0 CFADMM O=C(N[C@H]1C[C@@H](O)C12CCC2)c1ccc2ccccc2c1[O-] ZINC000619089957 352950482 /nfs/dbraw/zinc/95/04/82/352950482.db2.gz OVBOLJYETLBPPV-LSDHHAIUSA-N -1 1 297.354 2.579 20 0 CFADMM CC[C@@H]1CC[C@@H](C)N(C(=O)c2cccc3nn[nH]c32)C1 ZINC000619134215 352964360 /nfs/dbraw/zinc/96/43/60/352964360.db2.gz SRUUAXBMPSWARV-GHMZBOCLSA-N -1 1 272.352 2.609 20 0 CFADMM CO[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)C1CCCC1 ZINC000620164371 353122849 /nfs/dbraw/zinc/12/28/49/353122849.db2.gz OZSCVRHMAABCFK-LBPRGKRZSA-N -1 1 299.317 2.605 20 0 CFADMM O=C(C(=O)N1CCC[C@H](C2CCC2)C1)c1ccc([O-])cc1 ZINC000620205306 353132343 /nfs/dbraw/zinc/13/23/43/353132343.db2.gz ZCCQVKRNYLNMQD-AWEZNQCLSA-N -1 1 287.359 2.614 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC(c2ccon2)CC1 ZINC000620225255 353138061 /nfs/dbraw/zinc/13/80/61/353138061.db2.gz 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299.798 2.765 20 0 CFADMM CC[C@@H]1C[C@H](NC(=O)Cc2ccc([O-])c(Cl)c2)CCO1 ZINC000633465932 355913119 /nfs/dbraw/zinc/91/31/19/355913119.db2.gz OJSPSNPWWGMLHR-VXGBXAGGSA-N -1 1 297.782 2.662 20 0 CFADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000633564785 355933523 /nfs/dbraw/zinc/93/35/23/355933523.db2.gz JJNHOOXNSOURRG-IJLUTSLNSA-N -1 1 279.767 2.893 20 0 CFADMM CC(C)O[C@H]1C[C@@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000633393297 355887481 /nfs/dbraw/zinc/88/74/81/355887481.db2.gz FPRMASZJOGRAFH-TXEJJXNPSA-N -1 1 297.782 2.660 20 0 CFADMM O=C(Cc1ccc([O-])c(Cl)c1)NCCCc1ccco1 ZINC000633647868 355958659 /nfs/dbraw/zinc/95/86/59/355958659.db2.gz FEIASKKIONVBFW-UHFFFAOYSA-N -1 1 293.750 2.930 20 0 CFADMM CC12CC(C1)CN2C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633660294 355962279 /nfs/dbraw/zinc/96/22/79/355962279.db2.gz ICTCVUZCBAFJRG-UHFFFAOYSA-N -1 1 265.740 2.599 20 0 CFADMM O=C(c1ncccc1[O-])N1CCC2(CCSCC2)CC1 ZINC000633940682 356036920 /nfs/dbraw/zinc/03/69/20/356036920.db2.gz WXOBXOCKEBEFJO-UHFFFAOYSA-N -1 1 292.404 2.537 20 0 CFADMM CCC(C)(C)CCNC(=O)C(=O)c1ccc([O-])cc1 ZINC000633968810 356049303 /nfs/dbraw/zinc/04/93/03/356049303.db2.gz VOZSXJVPTHPJBY-UHFFFAOYSA-N -1 1 263.337 2.517 20 0 CFADMM COC1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000568059675 290518665 /nfs/dbraw/zinc/51/86/65/290518665.db2.gz INIGOIKKZGNIQL-UHFFFAOYSA-N -1 1 283.755 2.649 20 0 CFADMM Oc1cccnc1C[NH2+]Cc1cscc1Br ZINC000336667535 540264297 /nfs/dbraw/zinc/26/42/97/540264297.db2.gz FUVXIEPPZCLNGW-UHFFFAOYSA-N -1 1 299.193 2.901 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H](CO)CC1 ZINC000336148217 540285498 /nfs/dbraw/zinc/28/54/98/540285498.db2.gz IFJRLWDRRZWMJA-ZDUSSCGKSA-N -1 1 299.370 2.780 20 0 CFADMM O=C(Nc1ncccc1OC(F)F)c1ccc([O-])c(F)c1 ZINC000681039249 540321181 /nfs/dbraw/zinc/32/11/81/540321181.db2.gz GBSWZPRTWAFVMK-UHFFFAOYSA-N -1 1 298.220 2.780 20 0 CFADMM [O-]c1cccc(CN2CCCc3n[nH]cc32)c1Cl ZINC000294733351 199157978 /nfs/dbraw/zinc/15/79/78/199157978.db2.gz QEZQBJUIOZGJBJ-UHFFFAOYSA-N -1 1 263.728 2.722 20 0 CFADMM Cc1cnc(C(=O)N(C2CCC2)C2CCC2)c([O-])c1 ZINC000329229449 202243147 /nfs/dbraw/zinc/24/31/47/202243147.db2.gz JIGWZGQINJUIIF-UHFFFAOYSA-N -1 1 260.337 2.643 20 0 CFADMM Cc1cccc([N-]S(=O)(=O)Cc2c(C)cccc2C)n1 ZINC000294920907 199249097 /nfs/dbraw/zinc/24/90/97/199249097.db2.gz CHJGCBSFEYCWPX-UHFFFAOYSA-N -1 1 290.388 2.949 20 0 CFADMM Cc1[nH]nc(C(=O)Nc2ccc(C(C)(C)C)cc2O)c1[O-] ZINC000669746837 540481308 /nfs/dbraw/zinc/48/13/08/540481308.db2.gz MKYOHWOGEFOHGI-UHFFFAOYSA-N -1 1 289.335 2.679 20 0 CFADMM Cc1cc2c(cc1NC(=O)c1ccc([O-])cc1F)OCO2 ZINC000119515360 540467653 /nfs/dbraw/zinc/46/76/53/540467653.db2.gz LTSQDDVUWMLGMN-UHFFFAOYSA-N -1 1 289.262 2.821 20 0 CFADMM C[C@]1(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)CC1(F)F ZINC000422119120 237065464 /nfs/dbraw/zinc/06/54/64/237065464.db2.gz JVRXNGAAKGUTNE-LLVKDONJSA-N -1 1 283.303 2.544 20 0 CFADMM CC1(C)C[C@@H](O)CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000297016773 200062527 /nfs/dbraw/zinc/06/25/27/200062527.db2.gz RHKFNLJYYYENCB-NSHDSACASA-N -1 1 297.782 2.669 20 0 CFADMM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(C2CC2)n1 ZINC000297123185 200090647 /nfs/dbraw/zinc/09/06/47/200090647.db2.gz YBQIUZUWIBNMPM-CYBMUJFWSA-N -1 1 277.324 2.539 20 0 CFADMM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(C2CC2)n1 ZINC000297123185 200090648 /nfs/dbraw/zinc/09/06/48/200090648.db2.gz YBQIUZUWIBNMPM-CYBMUJFWSA-N -1 1 277.324 2.539 20 0 CFADMM Cc1cnc(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)c([O-])c1 ZINC000329454833 202344133 /nfs/dbraw/zinc/34/41/33/202344133.db2.gz OBFCRUBGTSHZRT-HNNXBMFYSA-N -1 1 297.358 2.714 20 0 CFADMM Cc1nc(SCc2cnoc2C2CC2)[n-]c(=O)c1C ZINC000329487747 202356562 /nfs/dbraw/zinc/35/65/62/202356562.db2.gz RLSSCEGQTMUSOC-UHFFFAOYSA-N -1 1 277.349 2.957 20 0 CFADMM O=C(N[C@@H]1CCC[C@H](CO)C1)c1cc2ccccc2cc1[O-] ZINC000298205614 200360142 /nfs/dbraw/zinc/36/01/42/200360142.db2.gz GGDPACVCOYWUGX-SWLSCSKDSA-N -1 1 299.370 2.826 20 0 CFADMM C[C@H]1c2ccccc2CCN1C(=O)c1cncc([O-])c1 ZINC000177193742 189035385 /nfs/dbraw/zinc/03/53/85/189035385.db2.gz ZFFFJHJAJJSCJK-NSHDSACASA-N -1 1 268.316 2.547 20 0 CFADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cncc([O-])c1 ZINC000177429285 189050412 /nfs/dbraw/zinc/05/04/12/189050412.db2.gz UFTVILCAUBVWPB-RYUDHWBXSA-N -1 1 270.332 2.709 20 0 CFADMM CCO[N-]C(=O)[C@H](C)c1ccc(Br)cc1 ZINC000179507005 189198361 /nfs/dbraw/zinc/19/83/61/189198361.db2.gz MDQZTSJDMJRKRQ-MRVPVSSYSA-N -1 1 272.142 2.620 20 0 CFADMM C[C@H]1C[C@H]1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871619 540887488 /nfs/dbraw/zinc/88/74/88/540887488.db2.gz ONFFBVOVLKZPDW-CBAPKCEASA-N -1 1 273.254 2.797 20 0 CFADMM O=c1[nH]c(-c2cc([O-])cc(F)c2)nc2cccc(F)c12 ZINC000685189913 540899762 /nfs/dbraw/zinc/89/97/62/540899762.db2.gz FKQKXFYRNGDZAH-UHFFFAOYSA-N -1 1 274.226 2.986 20 0 CFADMM Cc1noc([N-]C(=O)c2ccc(C(F)(F)F)s2)n1 ZINC000671663858 541049951 /nfs/dbraw/zinc/04/99/51/541049951.db2.gz DBXQGLPHYHMLNY-UHFFFAOYSA-N -1 1 277.227 2.711 20 0 CFADMM CC1(CO)CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000183708474 189366113 /nfs/dbraw/zinc/36/61/13/189366113.db2.gz NYUWNLAVSZYOGE-UHFFFAOYSA-N -1 1 299.370 2.780 20 0 CFADMM COC(=O)c1cnc(-c2ccc(F)c([O-])c2)c(F)c1 ZINC001243047834 781951726 /nfs/dbraw/zinc/95/17/26/781951726.db2.gz GLYVYAILPCSYQI-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM CN(C(=O)c1nc2ccccc2c(=O)[n-]1)C1CCCCC1 ZINC000074272180 541227136 /nfs/dbraw/zinc/22/71/36/541227136.db2.gz AQJFXECRVNVMSJ-UHFFFAOYSA-N -1 1 285.347 2.740 20 0 CFADMM C[C@H](CNC(=O)c1ncccc1[O-])c1ccc(F)cc1F ZINC000427228513 239295440 /nfs/dbraw/zinc/29/54/40/239295440.db2.gz WVJOFAZZSWESJO-SECBINFHSA-N -1 1 292.285 2.599 20 0 CFADMM Cc1nnc(N(C)C(=O)c2cn[nH]c2-c2ccccc2)s1 ZINC000427754828 239334685 /nfs/dbraw/zinc/33/46/85/239334685.db2.gz FGWRGJUVENVSSB-UHFFFAOYSA-N -1 1 299.359 2.513 20 0 CFADMM CC[C@H](C)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000667765050 541307509 /nfs/dbraw/zinc/30/75/09/541307509.db2.gz OFESHDXSZOFBAY-JTQLQIEISA-N -1 1 258.321 2.811 20 0 CFADMM CCC[C@@H](CN=c1nc(CC(C)C)[n-]s1)C(=O)OCC ZINC000432920223 240070212 /nfs/dbraw/zinc/07/02/12/240070212.db2.gz XJSINTNGHXXLEM-NSHDSACASA-N -1 1 299.440 2.550 20 0 CFADMM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000435217678 240295084 /nfs/dbraw/zinc/29/50/84/240295084.db2.gz QTVALNPSXWKOPC-DTWKUNHWSA-N -1 1 290.454 2.863 20 0 CFADMM Cc1nc(S(=O)(=O)[N-]CCC2CCCC2)sc1C ZINC000435211118 240295298 /nfs/dbraw/zinc/29/52/98/240295298.db2.gz NNXOBMZLISIKLV-UHFFFAOYSA-N -1 1 288.438 2.619 20 0 CFADMM Cc1nc(S(=O)(=O)[N-]CC2(C)CCCC2)sc1C ZINC000435213898 240296245 /nfs/dbraw/zinc/29/62/45/240296245.db2.gz QAPRCWUADOULHZ-UHFFFAOYSA-N -1 1 288.438 2.619 20 0 CFADMM O=C(NCCc1cccc2[nH]ccc21)c1ccc([O-])cc1F ZINC000436514084 240456508 /nfs/dbraw/zinc/45/65/08/240456508.db2.gz QKSNSEHIXYAOAH-UHFFFAOYSA-N -1 1 298.317 2.985 20 0 CFADMM COc1cc(C)c(NC(=O)c2ccc(O)cc2[O-])cc1C ZINC000443868176 241092675 /nfs/dbraw/zinc/09/26/75/241092675.db2.gz MULXLOHSCMOOKR-UHFFFAOYSA-N -1 1 287.315 2.976 20 0 CFADMM CCc1cccnc1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000443412777 241059368 /nfs/dbraw/zinc/05/93/68/241059368.db2.gz AEPYZUNENBYPKJ-UHFFFAOYSA-N -1 1 294.351 2.725 20 0 CFADMM Cc1cnc(C(=O)N(CC2CCC2)C(C)C)c([O-])c1 ZINC000444527464 241148284 /nfs/dbraw/zinc/14/82/84/241148284.db2.gz XEGOANAFCNENQN-UHFFFAOYSA-N -1 1 262.353 2.746 20 0 CFADMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@@H]3C[C@H]3C3CC3)[nH][n-]2)c1 ZINC000444782687 241194069 /nfs/dbraw/zinc/19/40/69/241194069.db2.gz IYBLUDFAEOHYSW-NWDGAFQWSA-N -1 1 299.349 2.931 20 0 CFADMM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000444209613 241125314 /nfs/dbraw/zinc/12/53/14/241125314.db2.gz CPIKDASCMJZPSZ-JGVFFNPUSA-N -1 1 293.310 2.571 20 0 CFADMM Cc1nc(S(=O)(=O)[N-]CC(C)(C)C(C)C)sc1C ZINC000445740625 241235520 /nfs/dbraw/zinc/23/55/20/241235520.db2.gz JTWFLIHAAOQLOS-UHFFFAOYSA-N -1 1 290.454 2.720 20 0 CFADMM C[C@]1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC=CCC1 ZINC000334664768 291373623 /nfs/dbraw/zinc/37/36/23/291373623.db2.gz AVDBZJSVROVIGD-JTQLQIEISA-N -1 1 274.246 2.508 20 0 CFADMM O=C(CCn1cccc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000674324610 541559263 /nfs/dbraw/zinc/55/92/63/541559263.db2.gz NAJYZXLWAFIEEF-UHFFFAOYSA-N -1 1 296.330 2.613 20 0 CFADMM CCC[C@H](OC)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000450291062 242344028 /nfs/dbraw/zinc/34/40/28/242344028.db2.gz FSHXJPRUURWYPA-NSHDSACASA-N -1 1 257.717 2.799 20 0 CFADMM CC(=O)c1[n-]c(=N[C@H](C)c2cccc(O)c2)sc1C ZINC000450301921 242348962 /nfs/dbraw/zinc/34/89/62/242348962.db2.gz JSRZEUNJPKHVJY-MRVPVSSYSA-N -1 1 276.361 2.955 20 0 CFADMM CC(=O)c1[n-]c(=N[C@H](CCO)c2ccccc2)sc1C ZINC000450346128 242369085 /nfs/dbraw/zinc/36/90/85/242369085.db2.gz GYKNIMNROSQDBF-CYBMUJFWSA-N -1 1 290.388 2.612 20 0 CFADMM CC(C)n1nccc1C(=O)Nc1c([O-])cccc1F ZINC000676051406 541722151 /nfs/dbraw/zinc/72/21/51/541722151.db2.gz XIJUFCKASADGJV-UHFFFAOYSA-N -1 1 263.272 2.561 20 0 CFADMM O=C(COCC1CCCC1)Nc1ccc(F)cc1[O-] ZINC000455992809 244042626 /nfs/dbraw/zinc/04/26/26/244042626.db2.gz GTTVTDCJPLAKOU-UHFFFAOYSA-N -1 1 267.300 2.677 20 0 CFADMM Cc1nc(SCc2nc(CC(C)C)no2)[n-]c(=O)c1C ZINC000330690096 203121700 /nfs/dbraw/zinc/12/17/00/203121700.db2.gz YHRKQDBUFCRMGA-UHFFFAOYSA-N -1 1 294.380 2.673 20 0 CFADMM CC(C)(O)C(C)(C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000225921595 189767568 /nfs/dbraw/zinc/76/75/68/189767568.db2.gz NJCYSASCMLWRAM-UHFFFAOYSA-N -1 1 287.359 2.825 20 0 CFADMM CCn1ccnc1[C@@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000456404082 244172917 /nfs/dbraw/zinc/17/29/17/244172917.db2.gz XAGFFYZEXQETJI-SECBINFHSA-N -1 1 293.754 2.753 20 0 CFADMM O=C(CCCC(=O)C1CC1)Nc1ccc([O-])c(F)c1F ZINC000456780245 244285054 /nfs/dbraw/zinc/28/50/54/244285054.db2.gz IQFLCBUIMACBMN-UHFFFAOYSA-N -1 1 283.274 2.758 20 0 CFADMM O=C(COC1CCCC1)Nc1ccc([O-])c(F)c1F ZINC000456792770 244290150 /nfs/dbraw/zinc/29/01/50/244290150.db2.gz KIHLEEOQEBZWHW-UHFFFAOYSA-N -1 1 271.263 2.568 20 0 CFADMM CC1(C)CCC[C@H](CNC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000456890166 244320931 /nfs/dbraw/zinc/32/09/31/244320931.db2.gz WGQUHEYLLXKWLG-LBPRGKRZSA-N -1 1 289.375 2.908 20 0 CFADMM C[C@H](NC(=O)c1cncc([O-])c1)[C@@H]1CCC[C@H](C)C1 ZINC000456992322 244350606 /nfs/dbraw/zinc/35/06/06/244350606.db2.gz GCAQYFRRHQRLGL-SDDRHHMPSA-N -1 1 262.353 2.732 20 0 CFADMM O=C([N-]CCc1ccc(F)c(F)c1)C(F)(F)C(F)F ZINC000276129615 193221204 /nfs/dbraw/zinc/22/12/04/193221204.db2.gz CMMKUQKCCOZGJV-UHFFFAOYSA-N -1 1 285.187 2.524 20 0 CFADMM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)o1 ZINC000276371826 193305084 /nfs/dbraw/zinc/30/50/84/193305084.db2.gz CCUVTKXBPCJYST-GFCCVEGCSA-N -1 1 265.334 2.955 20 0 CFADMM O=C(c1c(F)ccc([O-])c1F)N1CCCC2(CC2)C1 ZINC000290519877 296161917 /nfs/dbraw/zinc/16/19/17/296161917.db2.gz PZWHNMXGDMWGOG-UHFFFAOYSA-N -1 1 267.275 2.687 20 0 CFADMM C[C@@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1cccs1 ZINC000459399639 245164857 /nfs/dbraw/zinc/16/48/57/245164857.db2.gz GOUWMGWJRCKORM-SECBINFHSA-N -1 1 275.377 2.972 20 0 CFADMM O=c1cc(C[N@@H+](Cc2ccncc2)C2CC2)nc(C2CC2)[nH]1 ZINC000459397704 245165267 /nfs/dbraw/zinc/16/52/67/245165267.db2.gz XGKIEKAEQRWBKK-UHFFFAOYSA-N -1 1 296.374 2.619 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N[C@H](C)C3CCC3)cnc2n1 ZINC000677412213 541854117 /nfs/dbraw/zinc/85/41/17/541854117.db2.gz AQKNWLLKMFWJJI-SNVBAGLBSA-N -1 1 285.347 2.562 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H](C)C1CCC1)c2=O ZINC000677412213 541854121 /nfs/dbraw/zinc/85/41/21/541854121.db2.gz AQKNWLLKMFWJJI-SNVBAGLBSA-N -1 1 285.347 2.562 20 0 CFADMM CCc1nnc([N-]C(=O)c2nc3ccccc3s2)s1 ZINC000003329363 371791392 /nfs/dbraw/zinc/79/13/92/371791392.db2.gz LSFOJJGSIMHGQB-UHFFFAOYSA-N -1 1 290.373 2.963 20 0 CFADMM CC(=O)c1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000012040562 371942489 /nfs/dbraw/zinc/94/24/89/371942489.db2.gz WTWUCUYSVQBWED-UHFFFAOYSA-N -1 1 255.273 2.847 20 0 CFADMM COc1ccc(C(=O)Nc2ccc(F)c(F)c2)c([O-])c1 ZINC000010491227 371910361 /nfs/dbraw/zinc/91/03/61/371910361.db2.gz SFUBIVAHMRRAGX-UHFFFAOYSA-N -1 1 279.242 2.931 20 0 CFADMM COc1ccc(C(=O)Nc2cccc(C)c2)c([O-])c1 ZINC000016503908 372108237 /nfs/dbraw/zinc/10/82/37/372108237.db2.gz KITZEKDESNWSLK-UHFFFAOYSA-N -1 1 257.289 2.962 20 0 CFADMM Cc1cc(CNC(=O)c2cc3ccccc3cc2[O-])ncn1 ZINC000677497401 541867320 /nfs/dbraw/zinc/86/73/20/541867320.db2.gz QGURGCGRWCQGPN-UHFFFAOYSA-N -1 1 293.326 2.574 20 0 CFADMM CN(Cc1ccncc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000036776883 372591877 /nfs/dbraw/zinc/59/18/77/372591877.db2.gz MBGBQZSLEGCYKK-UHFFFAOYSA-N -1 1 276.723 2.713 20 0 CFADMM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1cn[nH]c1 ZINC000037744554 372696956 /nfs/dbraw/zinc/69/69/56/372696956.db2.gz MVYLYOWDCGUJRX-UHFFFAOYSA-N -1 1 292.147 2.517 20 0 CFADMM CCCc1nc(CN2CCC[C@H]2CC(=O)[O-])cs1 ZINC000042162967 372878591 /nfs/dbraw/zinc/87/85/91/372878591.db2.gz MKFUCJSGPDQIGT-NSHDSACASA-N -1 1 268.382 2.535 20 0 CFADMM Cc1csc(CNC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000042229143 372891618 /nfs/dbraw/zinc/89/16/18/372891618.db2.gz DVRJXTOPQQEDFY-UHFFFAOYSA-N -1 1 282.752 2.741 20 0 CFADMM CN(Cc1ccc(Cl)s1)C(=O)c1ncccc1[O-] ZINC000042489328 372928204 /nfs/dbraw/zinc/92/82/04/372928204.db2.gz LNONZQBINRJADK-UHFFFAOYSA-N -1 1 282.752 2.774 20 0 CFADMM C[C@@H](CN(C)Cc1coc(-c2cccs2)n1)C(=O)[O-] ZINC000042705680 372947983 /nfs/dbraw/zinc/94/79/83/372947983.db2.gz FDRRLGZWUKXHEN-VIFPVBQESA-N -1 1 280.349 2.556 20 0 CFADMM CN(CCCC(=O)[O-])Cc1nc2ccccc2s1 ZINC000042718086 372950607 /nfs/dbraw/zinc/95/06/07/372950607.db2.gz KJNAQZWBHMMXJY-UHFFFAOYSA-N -1 1 264.350 2.593 20 0 CFADMM O=C(NC[C@H]1CCCCO1)c1cc2ccccc2cc1[O-] ZINC000042825073 372960766 /nfs/dbraw/zinc/96/07/66/372960766.db2.gz PVYAKQJEVIHJSS-CQSZACIVSA-N -1 1 285.343 2.844 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CCO[C@@H]2CCC[C@@H]21 ZINC000299275289 296195147 /nfs/dbraw/zinc/19/51/47/296195147.db2.gz QLQVTLUSWSFYGM-DOTOQJQBSA-N -1 1 297.354 2.939 20 0 CFADMM O=C(Nc1ccncc1[O-])c1ccc2ccccc2n1 ZINC000109890412 284383694 /nfs/dbraw/zinc/38/36/94/284383694.db2.gz QELJLLMSVZAWLF-UHFFFAOYSA-N -1 1 265.272 2.588 20 0 CFADMM CN(C[C@H]1CCCO1)C(=O)c1cc2ccccc2cc1[O-] ZINC000048950414 373236281 /nfs/dbraw/zinc/23/62/81/373236281.db2.gz PSZHYTAEFGVNNQ-CQSZACIVSA-N -1 1 285.343 2.796 20 0 CFADMM O=C([O-])C[C@@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000054298715 373514058 /nfs/dbraw/zinc/51/40/58/373514058.db2.gz XSBIYKZLXXQHIA-JTQLQIEISA-N -1 1 269.291 2.652 20 0 CFADMM CN(CC1CCC1)C(=O)c1cc(Cl)ccc1[O-] ZINC000061482261 373717804 /nfs/dbraw/zinc/71/78/04/373717804.db2.gz QUEHKEYVAHCIDV-UHFFFAOYSA-N -1 1 253.729 2.918 20 0 CFADMM COc1ccc2nc(-c3ccc(C(C)=O)cc3)[n-]c(=O)c2c1 ZINC000063580855 373809209 /nfs/dbraw/zinc/80/92/09/373809209.db2.gz ZBIRIMIDCDACGN-UHFFFAOYSA-N -1 1 294.310 2.801 20 0 CFADMM CCCCCC(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066640039 373943473 /nfs/dbraw/zinc/94/34/73/373943473.db2.gz ILMIHJAXKKTOTO-UHFFFAOYSA-N -1 1 270.402 2.718 20 0 CFADMM COc1ccccc1/C(C)=C/C(=O)[N-]O[C@@H]1CCCCO1 ZINC000066645464 373943984 /nfs/dbraw/zinc/94/39/84/373943984.db2.gz IBLIVYCHAGXNTG-LPQFERQCSA-N -1 1 291.347 2.673 20 0 CFADMM O=C(NCC1CCSCC1)c1c(F)ccc([O-])c1F ZINC000289539433 197394770 /nfs/dbraw/zinc/39/47/70/197394770.db2.gz QIXJVEOZYONAOC-UHFFFAOYSA-N -1 1 287.331 2.543 20 0 CFADMM CC(C)(C)C(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289506160 197382340 /nfs/dbraw/zinc/38/23/40/197382340.db2.gz LEKQRMFJCICICZ-UHFFFAOYSA-N -1 1 276.308 2.827 20 0 CFADMM COCC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000069708455 374086987 /nfs/dbraw/zinc/08/69/87/374086987.db2.gz XXTCAZIROIZYCU-UHFFFAOYSA-N -1 1 283.755 2.544 20 0 CFADMM CCN(CCC(F)(F)F)C(=O)c1cc(F)ccc1[O-] ZINC000677875833 541916755 /nfs/dbraw/zinc/91/67/55/541916755.db2.gz VSYOUTODFMLGKK-UHFFFAOYSA-N -1 1 279.233 2.946 20 0 CFADMM Cc1c(C(=O)Nc2c([O-])cccc2F)cnn1CC(C)C ZINC000678057557 541943741 /nfs/dbraw/zinc/94/37/41/541943741.db2.gz QGTGAMZEVQGYHN-UHFFFAOYSA-N -1 1 291.326 2.945 20 0 CFADMM COC(C)(C)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000075162952 374466827 /nfs/dbraw/zinc/46/68/27/374466827.db2.gz FCEGLHDWDZJUPT-UHFFFAOYSA-N -1 1 273.332 2.700 20 0 CFADMM Cc1ccc(/C=C\C(=O)Nc2ccc(F)cc2[O-])nc1 ZINC000492535427 246321642 /nfs/dbraw/zinc/32/16/42/246321642.db2.gz LWBVZUMPVXGYQE-ALCCZGGFSA-N -1 1 272.279 2.887 20 0 CFADMM CCC(CC)c1nnc([N-]C(=O)c2cocn2)s1 ZINC000264153095 383701365 /nfs/dbraw/zinc/70/13/65/383701365.db2.gz HYCKKVHMQSNGHO-UHFFFAOYSA-N -1 1 266.326 2.682 20 0 CFADMM COC[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000081067004 374683535 /nfs/dbraw/zinc/68/35/35/374683535.db2.gz KLFJZJJXRUMBQR-GFCCVEGCSA-N -1 1 285.343 2.654 20 0 CFADMM CC[C@H](C)[C@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000081589523 374708567 /nfs/dbraw/zinc/70/85/67/374708567.db2.gz INJTXXUPFYNSKJ-UWVGGRQHSA-N -1 1 293.411 2.540 20 0 CFADMM C[C@H](c1ccccc1Br)N(C)CCC(=O)[O-] ZINC000082717755 374739949 /nfs/dbraw/zinc/73/99/49/374739949.db2.gz GMGBJGFVIINUTM-SECBINFHSA-N -1 1 286.169 2.917 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@]2(CCSC2)C1 ZINC000334765152 296222080 /nfs/dbraw/zinc/22/20/80/296222080.db2.gz YUOBGTHGXGXKIO-OAHLLOKOSA-N -1 1 295.379 2.891 20 0 CFADMM C[C@@H](c1c(F)cccc1F)N1CCC(C(=O)[O-])CC1 ZINC000086727749 374806768 /nfs/dbraw/zinc/80/67/68/374806768.db2.gz AONJPNMMWQSLBE-VIFPVBQESA-N -1 1 269.291 2.822 20 0 CFADMM CO[C@@]1(C)C[C@@H](N(C)C(=O)c2cc(F)ccc2[O-])C1(C)C ZINC000091990036 375078398 /nfs/dbraw/zinc/07/83/98/375078398.db2.gz NQKYBNLPNIIGAT-CJNGLKHVSA-N -1 1 295.354 2.807 20 0 CFADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(F)ccc2[O-])C1(C)C ZINC000091730992 375058945 /nfs/dbraw/zinc/05/89/45/375058945.db2.gz HSCXFIBHFQKWSN-KGLIPLIRSA-N -1 1 295.354 2.807 20 0 CFADMM COc1ccc(C(=O)Nc2ccc3c(C)n[nH]c3c2)c([O-])c1 ZINC000091834241 375063635 /nfs/dbraw/zinc/06/36/35/375063635.db2.gz ISJIPEYMLRDQNY-UHFFFAOYSA-N -1 1 297.314 2.838 20 0 CFADMM C[N@@H+](Cc1cnn(-c2ccccc2)c1)CC1(CC(=O)[O-])CC1 ZINC000571571144 383706247 /nfs/dbraw/zinc/70/62/47/383706247.db2.gz POSBETRVPHJINR-UHFFFAOYSA-N -1 1 299.374 2.559 20 0 CFADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccccc3)ccc12 ZINC000093909275 375330777 /nfs/dbraw/zinc/33/07/77/375330777.db2.gz XSIYFTOEOXYGNG-UHFFFAOYSA-N -1 1 287.344 2.672 20 0 CFADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccccc3)ccc12 ZINC000093909275 375330781 /nfs/dbraw/zinc/33/07/81/375330781.db2.gz XSIYFTOEOXYGNG-UHFFFAOYSA-N -1 1 287.344 2.672 20 0 CFADMM C[C@@H](O)C1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000094157282 375343104 /nfs/dbraw/zinc/34/31/04/375343104.db2.gz XEPUMBSQUKNZCM-GFCCVEGCSA-N -1 1 299.370 2.778 20 0 CFADMM CC(C)(C)c1csc(CN2CCC[C@H](C(=O)[O-])C2)n1 ZINC000094969201 375400495 /nfs/dbraw/zinc/40/04/95/375400495.db2.gz HQOVZZBODDXBBB-JTQLQIEISA-N -1 1 282.409 2.737 20 0 CFADMM CCOCCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000095036243 375403466 /nfs/dbraw/zinc/40/34/66/375403466.db2.gz RWFPMSJDHIGARJ-UHFFFAOYSA-N -1 1 257.717 2.801 20 0 CFADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)c(C)n1C ZINC000678374383 542015150 /nfs/dbraw/zinc/01/51/50/542015150.db2.gz HTGXQEADFKMVAS-UHFFFAOYSA-N -1 1 262.284 2.739 20 0 CFADMM c1nn(CC2CC2)cc1[N-]c1nc(C2CC2)ns1 ZINC000678400615 542019953 /nfs/dbraw/zinc/01/99/53/542019953.db2.gz ABSHONWMRVRNDV-UHFFFAOYSA-N -1 1 261.354 2.766 20 0 CFADMM O=S(=O)([N-]C[C@H]1CC=CCC1)c1cccc(F)c1F ZINC000101574749 375642727 /nfs/dbraw/zinc/64/27/27/375642727.db2.gz AGNYCXAYUFUIRG-JTQLQIEISA-N -1 1 287.331 2.599 20 0 CFADMM Cc1ccncc1[C@@H](C)NC(=O)c1cc(F)ccc1[O-] ZINC000678419115 542022916 /nfs/dbraw/zinc/02/29/16/542022916.db2.gz LCXISSDCBFLVSD-SNVBAGLBSA-N -1 1 274.295 2.726 20 0 CFADMM C[C@H]1c2ccsc2CCN1C(=O)c1cncc([O-])c1 ZINC000104408537 375781590 /nfs/dbraw/zinc/78/15/90/375781590.db2.gz KJJACYLCUOOPPU-VIFPVBQESA-N -1 1 274.345 2.608 20 0 CFADMM O=C(Nc1nc2ccccc2s1)c1cncc([O-])c1 ZINC000104417985 375782875 /nfs/dbraw/zinc/78/28/75/375782875.db2.gz QOUVBSSZARZEIZ-UHFFFAOYSA-N -1 1 271.301 2.649 20 0 CFADMM C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111666172 375861734 /nfs/dbraw/zinc/86/17/34/375861734.db2.gz QHRNBAAFTIZONV-QMMMGPOBSA-N -1 1 298.770 2.535 20 0 CFADMM CN(C)c1ccc(Cl)cc1NC(=O)c1cncc([O-])c1 ZINC000111776505 375871046 /nfs/dbraw/zinc/87/10/46/375871046.db2.gz WNIYKJCOHZFYQZ-UHFFFAOYSA-N -1 1 291.738 2.759 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCC[C@H]1Cc1ccccc1 ZINC000111775559 375869280 /nfs/dbraw/zinc/86/92/80/375869280.db2.gz WMKHNPOKRQSCPV-HNNXBMFYSA-N -1 1 282.343 2.635 20 0 CFADMM O=C(Nc1cccc(-c2cnco2)c1)c1cncc([O-])c1 ZINC000111775414 375869493 /nfs/dbraw/zinc/86/94/93/375869493.db2.gz NUWZBRNFHQVPAC-UHFFFAOYSA-N -1 1 281.271 2.695 20 0 CFADMM O=C(c1ncccc1[O-])N1CC=C(c2cccs2)CC1 ZINC000117989909 376270704 /nfs/dbraw/zinc/27/07/04/376270704.db2.gz HWVBRODSEZWKSM-UHFFFAOYSA-N -1 1 286.356 2.778 20 0 CFADMM Cn1ccnc1-c1cc(NC(=O)CCC2CCCC2)[nH]n1 ZINC000119425689 376412544 /nfs/dbraw/zinc/41/25/44/376412544.db2.gz JHUJNOXHOFTHHQ-UHFFFAOYSA-N -1 1 287.367 2.719 20 0 CFADMM CCS[C@H]1CCCC[N@@H+](Cc2nc(CC)cc(=O)[nH]2)C1 ZINC000120783560 376693028 /nfs/dbraw/zinc/69/30/28/376693028.db2.gz IFWWQXOOOATUJW-ZDUSSCGKSA-N -1 1 295.452 2.852 20 0 CFADMM CCSCC[C@H](C)N(C)Cc1nc(CC)cc(=O)[nH]1 ZINC000121613709 376870856 /nfs/dbraw/zinc/87/08/56/376870856.db2.gz UNXGOFULJMSALU-NSHDSACASA-N -1 1 283.441 2.708 20 0 CFADMM CCC(CC)CC(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000123750461 376973470 /nfs/dbraw/zinc/97/34/70/376973470.db2.gz MFQNVYMNJKKBAC-UHFFFAOYSA-N -1 1 273.340 2.632 20 0 CFADMM COC(C)(C)C[C@@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000173825633 284646331 /nfs/dbraw/zinc/64/63/31/284646331.db2.gz GYIZQQPHGNFDHX-SECBINFHSA-N -1 1 285.771 2.979 20 0 CFADMM CC[C@@H](NC(=O)c1cncc([O-])c1)c1cc(F)ccc1F ZINC000130541157 377572382 /nfs/dbraw/zinc/57/23/82/377572382.db2.gz FQDWKNIBWWNHPQ-CQSZACIVSA-N -1 1 292.285 2.947 20 0 CFADMM O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccc([O-])cc1F ZINC000162728290 542208064 /nfs/dbraw/zinc/20/80/64/542208064.db2.gz MOSWSFOFFXEGGR-HIFRSBDPSA-N -1 1 289.281 2.956 20 0 CFADMM O=C(N[C@H]1C[C@@H]1c1cccc(Cl)c1)c1cncc([O-])c1 ZINC000131612698 377735614 /nfs/dbraw/zinc/73/56/14/377735614.db2.gz MNXCFMMEVYGSKQ-KGLIPLIRSA-N -1 1 288.734 2.727 20 0 CFADMM C[C@@H](CN(C)C(=O)c1c([O-])cccc1F)c1nccs1 ZINC000131884811 377774276 /nfs/dbraw/zinc/77/42/76/377774276.db2.gz RLYOIOABEOJCCV-VIFPVBQESA-N -1 1 294.351 2.864 20 0 CFADMM CC[C@@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)N(C)C ZINC000132192585 377813246 /nfs/dbraw/zinc/81/32/46/377813246.db2.gz MVUMWXSSVZXJPR-JTQLQIEISA-N -1 1 291.178 2.978 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H]2OCCC[C@H]2C1 ZINC000132084492 377799934 /nfs/dbraw/zinc/79/99/34/377799934.db2.gz SPOHDICRGUGYGP-HZMBPMFUSA-N -1 1 295.766 2.687 20 0 CFADMM CCC1(CNC(=O)c2nc3ccccc3c(=O)[n-]2)CCCC1 ZINC000151804913 378361680 /nfs/dbraw/zinc/36/16/80/378361680.db2.gz XRSAVIVAOVVHHN-UHFFFAOYSA-N -1 1 299.374 2.623 20 0 CFADMM Cc1cc(C)cc(C[S@@](=O)C=C([O-])c2ccc[nH]2)c1 ZINC000151435815 378326270 /nfs/dbraw/zinc/32/62/70/378326270.db2.gz QHRDWZDTFATVLB-IBGZPJMESA-N -1 1 275.373 2.763 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCc2sccc2C1 ZINC000154619685 378584404 /nfs/dbraw/zinc/58/44/04/378584404.db2.gz LRYXUTWDLJKTLH-UHFFFAOYSA-N -1 1 277.320 2.791 20 0 CFADMM Cc1cccc2c(=O)c(C(=O)NCc3ccncc3)c[nH]c12 ZINC000154922790 378603470 /nfs/dbraw/zinc/60/34/70/378603470.db2.gz KCDHKEHNQMPPIJ-UHFFFAOYSA-N -1 1 293.326 2.574 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)s1 ZINC000330983539 378609754 /nfs/dbraw/zinc/60/97/54/378609754.db2.gz HPVRLLGJEUMQMS-UHFFFAOYSA-N -1 1 299.421 2.779 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC(F)(F)C2)c1 ZINC000331230553 378653945 /nfs/dbraw/zinc/65/39/45/378653945.db2.gz HCLOJIPQFINQIG-SECBINFHSA-N -1 1 299.273 2.553 20 0 CFADMM COC(C)(C)CS(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000331255394 378659675 /nfs/dbraw/zinc/65/96/75/378659675.db2.gz AERQNHOVPCOPKO-UHFFFAOYSA-N -1 1 295.763 2.646 20 0 CFADMM Cc1ccc2nc(CN=c3[n-]nc(C4CC4)s3)[nH]c2c1 ZINC000432238521 383730880 /nfs/dbraw/zinc/73/08/80/383730880.db2.gz RWSNXTBFOJFHDO-UHFFFAOYSA-N -1 1 285.376 2.634 20 0 CFADMM O=c1[n-]c([C@H]2CCCCN2CCCc2ccsc2)n[nH]1 ZINC000331395318 378681472 /nfs/dbraw/zinc/68/14/72/378681472.db2.gz BSRDHJUVATXFBF-GFCCVEGCSA-N -1 1 292.408 2.732 20 0 CFADMM CCCO[C@@H]1CCCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000332301882 378744562 /nfs/dbraw/zinc/74/45/62/378744562.db2.gz VOGVMZPZPLBYBR-CYBMUJFWSA-N -1 1 292.379 2.517 20 0 CFADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)C(=O)c1ccc([O-])cc1 ZINC000332577131 378776953 /nfs/dbraw/zinc/77/69/53/378776953.db2.gz GIQKIFMJABQLAE-FPMFFAJLSA-N -1 1 287.359 2.660 20 0 CFADMM CC1(C)CCC[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000332610883 378780979 /nfs/dbraw/zinc/78/09/79/378780979.db2.gz OZTJJPHGPBXOFN-NSHDSACASA-N -1 1 299.374 2.622 20 0 CFADMM CC(C)[C@@H]1N(C(=O)c2cncc([O-])c2)CC12CCCC2 ZINC000333529879 378826049 /nfs/dbraw/zinc/82/60/49/378826049.db2.gz PWFYFJZRXKXWBU-AWEZNQCLSA-N -1 1 274.364 2.828 20 0 CFADMM CC(C)[C@H]1N(C(=O)c2cncc([O-])c2)CC12CCCC2 ZINC000333529881 378826606 /nfs/dbraw/zinc/82/66/06/378826606.db2.gz PWFYFJZRXKXWBU-CQSZACIVSA-N -1 1 274.364 2.828 20 0 CFADMM [O-]c1ccc(-c2noc([C@@H]3C[C@H]4CC[C@@H]3O4)n2)cc1F ZINC000333817144 378863402 /nfs/dbraw/zinc/86/34/02/378863402.db2.gz GUPDUAWQWAPYHO-LNLATYFQSA-N -1 1 276.267 2.616 20 0 CFADMM O=S(=O)([N-]Cc1ccsc1)c1cccc(F)c1F ZINC000334192429 378906447 /nfs/dbraw/zinc/90/64/47/378906447.db2.gz HXBPZUDGJUADGD-UHFFFAOYSA-N -1 1 289.328 2.505 20 0 CFADMM O=C(Nc1cc2c(cn1)CCC2)c1c(F)ccc([O-])c1F ZINC000334209980 378930253 /nfs/dbraw/zinc/93/02/53/378930253.db2.gz YFJSHSCIQGVSEB-UHFFFAOYSA-N -1 1 290.269 2.806 20 0 CFADMM C[C@H](C(=O)[N-]OCCC(F)(F)F)c1cccc(F)c1 ZINC000162848985 378938594 /nfs/dbraw/zinc/93/85/94/378938594.db2.gz FJZSCKJQMYEWEW-QMMMGPOBSA-N -1 1 279.233 2.929 20 0 CFADMM COc1cc(C(=O)N2CCC[C@H]2CF)cc(Cl)c1[O-] ZINC000334253529 378985736 /nfs/dbraw/zinc/98/57/36/378985736.db2.gz XDXKBMWVFIVVRL-VIFPVBQESA-N -1 1 287.718 2.628 20 0 CFADMM COc1cc(C(=O)N2CCC[C@@H]2CF)cc(Cl)c1[O-] ZINC000334253527 378986275 /nfs/dbraw/zinc/98/62/75/378986275.db2.gz XDXKBMWVFIVVRL-SECBINFHSA-N -1 1 287.718 2.628 20 0 CFADMM Cc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000334254342 378987868 /nfs/dbraw/zinc/98/78/68/378987868.db2.gz KPRNJMMWTDXFBX-UHFFFAOYSA-N -1 1 277.270 2.909 20 0 CFADMM Cc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)ccc1F ZINC000334300144 379056890 /nfs/dbraw/zinc/05/68/90/379056890.db2.gz SUUBBWJEZNIKMT-UHFFFAOYSA-N -1 1 288.204 2.523 20 0 CFADMM O=C(C(=O)N1CC[C@@H]1c1ccccc1)c1ccc([O-])cc1 ZINC000334294580 379047585 /nfs/dbraw/zinc/04/75/85/379047585.db2.gz UFKIRYVSPLAMCX-OAHLLOKOSA-N -1 1 281.311 2.549 20 0 CFADMM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc([O-])cc1F ZINC000334396564 379223645 /nfs/dbraw/zinc/22/36/45/379223645.db2.gz CACZMWVZXJIVEY-LLVKDONJSA-N -1 1 263.312 2.960 20 0 CFADMM Cc1nn(CC(=O)Nc2ccc(F)cc2[O-])c(C)c1Cl ZINC000334410584 379251754 /nfs/dbraw/zinc/25/17/54/379251754.db2.gz JVDYIUOXEAYDDF-UHFFFAOYSA-N -1 1 297.717 2.637 20 0 CFADMM Cc1c[nH]cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000334411824 379252787 /nfs/dbraw/zinc/25/27/87/379252787.db2.gz UPSDSPAUROTLGV-UHFFFAOYSA-N -1 1 250.685 2.934 20 0 CFADMM O=S(=O)([N-]c1cccc(F)c1F)c1ccsc1 ZINC000334414225 379256686 /nfs/dbraw/zinc/25/66/86/379256686.db2.gz MGUATADXSHDEBP-UHFFFAOYSA-N -1 1 275.301 2.827 20 0 CFADMM C[C@H]1CCN(Cc2cccc(F)c2F)C[C@@H]1C(=O)[O-] ZINC000335421589 379267003 /nfs/dbraw/zinc/26/70/03/379267003.db2.gz DKRKRHUBBVKFGY-ONGXEEELSA-N -1 1 269.291 2.507 20 0 CFADMM CN(CCC1CCCCC1)C(=O)c1ncccc1[O-] ZINC000171311681 379280196 /nfs/dbraw/zinc/28/01/96/379280196.db2.gz KMCBTOVXRITXTF-UHFFFAOYSA-N -1 1 262.353 2.830 20 0 CFADMM O=C(Nc1nc(C(F)(F)F)c[nH]1)c1c(O)cccc1F ZINC000334440929 379305132 /nfs/dbraw/zinc/30/51/32/379305132.db2.gz YNUPCUSOCFPAPP-UHFFFAOYSA-N -1 1 289.188 2.526 20 0 CFADMM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])no1 ZINC000334467417 379352053 /nfs/dbraw/zinc/35/20/53/379352053.db2.gz WHIDUICFAHRORG-UHFFFAOYSA-N -1 1 252.657 2.594 20 0 CFADMM COc1ccc([C@H]2CCCN2C(=O)c2cncc([O-])c2)cc1 ZINC000171909834 379434504 /nfs/dbraw/zinc/43/45/04/379434504.db2.gz YAKALSNZMPUJLD-MRXNPFEDSA-N -1 1 298.342 2.773 20 0 CFADMM O=C(N[C@@H]1CCC[C@@H](F)C1)c1c(F)ccc([O-])c1F ZINC000335523782 379450013 /nfs/dbraw/zinc/45/00/13/379450013.db2.gz XNNFPAOBNREHPZ-HTQZYQBOSA-N -1 1 273.254 2.681 20 0 CFADMM C[C@@H]1C[C@@H](CO)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000335530318 379461352 /nfs/dbraw/zinc/46/13/52/379461352.db2.gz OPIROZXBZXNGMF-CHWSQXEVSA-N -1 1 299.370 2.636 20 0 CFADMM Cc1c([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])cnn1C ZINC000171998585 379466664 /nfs/dbraw/zinc/46/66/64/379466664.db2.gz RDQXVDWMUFCUQA-MRVPVSSYSA-N -1 1 293.754 2.579 20 0 CFADMM CC(C)[C@H]1CN(C(=O)c2ncccc2[O-])[C@H]1C(C)C ZINC000334743761 379865830 /nfs/dbraw/zinc/86/58/30/379865830.db2.gz MORBDKQKLMHIMK-RISCZKNCSA-N -1 1 262.353 2.540 20 0 CFADMM COCC1(C)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000335746612 379823137 /nfs/dbraw/zinc/82/31/37/379823137.db2.gz TZRDMCMDSJCFOG-UHFFFAOYSA-N -1 1 285.343 2.654 20 0 CFADMM CC1(C)[C@@H]2CN(C(=O)c3ccc(Cl)cc3[O-])C[C@@H]21 ZINC000174087286 379825597 /nfs/dbraw/zinc/82/55/97/379825597.db2.gz LQSFMJQWLSYGBP-PHIMTYICSA-N -1 1 265.740 2.774 20 0 CFADMM Cc1cnc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000335839835 379974686 /nfs/dbraw/zinc/97/46/86/379974686.db2.gz FBBUIGLPCJPAIB-ZYHUDNBSSA-N -1 1 262.353 2.746 20 0 CFADMM CC[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c(F)c2F)CCO1 ZINC000335215904 380021391 /nfs/dbraw/zinc/02/13/91/380021391.db2.gz JMGDWLLLTWUCCZ-RKDXNWHRSA-N -1 1 285.290 2.814 20 0 CFADMM C[C@@H](C1CCCCC1)N(C)C(=O)c1ncccc1[O-] ZINC000335928204 380118180 /nfs/dbraw/zinc/11/81/80/380118180.db2.gz IITOQUFEABVSDP-NSHDSACASA-N -1 1 262.353 2.828 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCc2cc(Cl)ccc21 ZINC000335975693 380182904 /nfs/dbraw/zinc/18/29/04/380182904.db2.gz GIMLFIIMOYRZAR-UHFFFAOYSA-N -1 1 274.707 2.644 20 0 CFADMM Cc1cnc(C(=O)N2CCC[C@H]2C2CCCC2)c([O-])c1 ZINC000336023333 380252407 /nfs/dbraw/zinc/25/24/07/380252407.db2.gz CYXDYJIJXJMCGZ-ZDUSSCGKSA-N -1 1 274.364 2.890 20 0 CFADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccncc1F ZINC000336003232 380222622 /nfs/dbraw/zinc/22/26/22/380222622.db2.gz JMTRHOMPKKHFJV-SSDOTTSWSA-N -1 1 296.248 2.696 20 0 CFADMM C[C@@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1(F)F ZINC000336447426 380347784 /nfs/dbraw/zinc/34/77/84/380347784.db2.gz LOBCBDWLLPBIMG-SSDOTTSWSA-N -1 1 291.244 2.788 20 0 CFADMM O=C(NC[C@H]1CCCC[C@@H]1O)c1cc2ccccc2cc1[O-] ZINC000177552849 380353445 /nfs/dbraw/zinc/35/34/45/380353445.db2.gz RFNSHZSDGFJQAG-ZBFHGGJFSA-N -1 1 299.370 2.826 20 0 CFADMM CCc1nc(C(=O)Nc2ccc([O-])c(Cl)c2)co1 ZINC000336585088 380505714 /nfs/dbraw/zinc/50/57/14/380505714.db2.gz NRGHGLUPRISFMI-UHFFFAOYSA-N -1 1 266.684 2.848 20 0 CFADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CC(F)(F)C1 ZINC000336561510 380468913 /nfs/dbraw/zinc/46/89/13/380468913.db2.gz XICUZTWQGSWTHI-UHFFFAOYSA-N -1 1 293.273 2.766 20 0 CFADMM CO[C@H](C)c1nc(=NC[C@H]2CCC[C@@H](C)C2)s[n-]1 ZINC000336785361 380630004 /nfs/dbraw/zinc/63/00/04/380630004.db2.gz CWZLDOZYPPJFEH-MXWKQRLJSA-N -1 1 269.414 2.906 20 0 CFADMM O=C(NCc1ccoc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180434524 380660844 /nfs/dbraw/zinc/66/08/44/380660844.db2.gz BFQJYWBDKVKIFT-UHFFFAOYSA-N -1 1 285.221 2.934 20 0 CFADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc([O-])cc2F)C12CCC2 ZINC000181236088 380761780 /nfs/dbraw/zinc/76/17/80/380761780.db2.gz UMLFUJUGQCDZOY-ZIAGYGMSSA-N -1 1 293.338 2.609 20 0 CFADMM O=C(NCCC[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000401371351 380868857 /nfs/dbraw/zinc/86/88/57/380868857.db2.gz GEKPOAMZWMAJQZ-JTQLQIEISA-N -1 1 283.755 2.592 20 0 CFADMM CSc1nsc([N-]C(=O)c2cc(C(C)C)on2)n1 ZINC000295409827 380834370 /nfs/dbraw/zinc/83/43/70/380834370.db2.gz MYORLLHXXYXNSL-UHFFFAOYSA-N -1 1 284.366 2.624 20 0 CFADMM Cc1cccc(S(=O)(=O)[N-]c2cccc3c2CCO3)c1 ZINC000358506115 380889754 /nfs/dbraw/zinc/88/97/54/380889754.db2.gz XFRLOYMYEKKLOQ-UHFFFAOYSA-N -1 1 289.356 2.731 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)o1 ZINC000358585740 380949719 /nfs/dbraw/zinc/94/97/19/380949719.db2.gz HIBQINANHHPDMI-UHFFFAOYSA-N -1 1 291.332 2.574 20 0 CFADMM Cc1cnc(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC000358641459 380986349 /nfs/dbraw/zinc/98/63/49/380986349.db2.gz YDSICUZLAVCTPQ-WBMJQRKESA-N -1 1 282.343 2.929 20 0 CFADMM Cc1ccccc1S(=O)(=O)[N-]c1cc(CC(C)C)n[nH]1 ZINC000353901781 380942049 /nfs/dbraw/zinc/94/20/49/380942049.db2.gz NVGTYHPAPSPFJS-UHFFFAOYSA-N -1 1 293.392 2.717 20 0 CFADMM CC(F)(F)CCCNC(=O)c1c(F)ccc([O-])c1F ZINC000295633243 380987136 /nfs/dbraw/zinc/98/71/36/380987136.db2.gz SJXPUJSFCRSHDV-UHFFFAOYSA-N -1 1 279.233 2.836 20 0 CFADMM Cc1cc(C(=O)[N-]c2nc(-c3cccs3)ns2)no1 ZINC000182138371 381001073 /nfs/dbraw/zinc/00/10/73/381001073.db2.gz CTSCAIHKGQONCG-UHFFFAOYSA-N -1 1 292.345 2.815 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H](C2CC2)O1 ZINC000279307141 194378361 /nfs/dbraw/zinc/37/83/61/194378361.db2.gz DVLCUYKSSPMXGM-OTYXRUKQSA-N -1 1 295.766 2.685 20 0 CFADMM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1cnn[nH]1 ZINC000347472965 381175223 /nfs/dbraw/zinc/17/52/23/381175223.db2.gz SSYQVXKVUZSMBD-JTQLQIEISA-N -1 1 298.268 2.537 20 0 CFADMM CCOc1cc(C(=O)NC(C)(C)CF)cc(Cl)c1[O-] ZINC000354364648 381225808 /nfs/dbraw/zinc/22/58/08/381225808.db2.gz GARXWOKEADVOSZ-UHFFFAOYSA-N -1 1 289.734 2.922 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(CF)CC1 ZINC000296058402 381235976 /nfs/dbraw/zinc/23/59/76/381235976.db2.gz YRCUPWMRASMPON-UHFFFAOYSA-N -1 1 271.719 2.867 20 0 CFADMM CO[C@@H](C)c1nc(=NCC2(C(F)(F)F)CCC2)s[n-]1 ZINC000343952913 220278738 /nfs/dbraw/zinc/27/87/38/220278738.db2.gz DBHYXMKFDIDKGS-ZETCQYMHSA-N -1 1 295.330 2.812 20 0 CFADMM C[C@@H](CN(C)C(=O)CCCC1CCCCC1)c1nn[n-]n1 ZINC000183432218 381271583 /nfs/dbraw/zinc/27/15/83/381271583.db2.gz CTJCWPIMTTVIEO-LBPRGKRZSA-N -1 1 293.415 2.512 20 0 CFADMM COc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1O ZINC000347955385 381433017 /nfs/dbraw/zinc/43/30/17/381433017.db2.gz MMEYFBMIEKPFTM-UHFFFAOYSA-N -1 1 295.241 2.637 20 0 CFADMM C[C@@H]1C[C@@H](CCN=c2nc(C(F)(F)F)[n-]s2)CCO1 ZINC000342830248 381572774 /nfs/dbraw/zinc/57/27/74/381572774.db2.gz IGGRACVNQODSHO-SFYZADRCSA-N -1 1 295.330 2.596 20 0 CFADMM Cc1cc2cc[nH]c2cc1NC(=O)c1cncc([O-])c1 ZINC000355098299 381609995 /nfs/dbraw/zinc/60/99/95/381609995.db2.gz DTBXZFBGRJSDIL-UHFFFAOYSA-N -1 1 267.288 2.829 20 0 CFADMM CC(=O)OC(C)(C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000291063874 381654489 /nfs/dbraw/zinc/65/44/89/381654489.db2.gz KIUMNKKQJYJBJV-UHFFFAOYSA-N -1 1 296.710 2.894 20 0 CFADMM CCC[C@H](NC(=O)CCCC[C@H](C)CC)c1nn[n-]n1 ZINC000680206524 542289110 /nfs/dbraw/zinc/28/91/10/542289110.db2.gz IUIJCTKNROHMOZ-NEPJUHHUSA-N -1 1 281.404 2.764 20 0 CFADMM Cc1nnc([N-]C(=O)c2cnc(-c3ccco3)s2)s1 ZINC000348977720 381782777 /nfs/dbraw/zinc/78/27/77/381782777.db2.gz UJNCOAODGGKDGG-UHFFFAOYSA-N -1 1 292.345 2.815 20 0 CFADMM Cc1ccccc1CCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000349283970 381875482 /nfs/dbraw/zinc/87/54/82/381875482.db2.gz PZRUHPGHLOODAR-UHFFFAOYSA-N -1 1 298.268 2.703 20 0 CFADMM Cc1conc1[N-]C(=O)c1cc(COC(C)(C)C)on1 ZINC000186200302 381852092 /nfs/dbraw/zinc/85/20/92/381852092.db2.gz FNMRGOZODLEBLE-UHFFFAOYSA-N -1 1 279.296 2.538 20 0 CFADMM CCCC(O)(CCC)CNC(=O)c1c([O-])cccc1F ZINC000186873888 382034989 /nfs/dbraw/zinc/03/49/89/382034989.db2.gz CNTTWOXWGNFSSM-UHFFFAOYSA-N -1 1 283.343 2.592 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N3CCCC[C@@H](C)C3)cnc2n1 ZINC000187107328 382101764 /nfs/dbraw/zinc/10/17/64/382101764.db2.gz VKHKCVNVFMPZBP-LLVKDONJSA-N -1 1 299.374 2.906 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCCC[C@@H](C)C1)c2=O ZINC000187107328 382101768 /nfs/dbraw/zinc/10/17/68/382101768.db2.gz VKHKCVNVFMPZBP-LLVKDONJSA-N -1 1 299.374 2.906 20 0 CFADMM CC(C)Cc1ccc(/C=C\c2cc(=O)n3[n-]cnc3n2)cc1 ZINC000352025289 382138156 /nfs/dbraw/zinc/13/81/56/382138156.db2.gz DYFKFKXIJVFAKK-FPLPWBNLSA-N -1 1 294.358 2.787 20 0 CFADMM [O-]c1cccc(CNCc2nccn2C(F)F)c1Cl ZINC000293503516 382149431 /nfs/dbraw/zinc/14/94/31/382149431.db2.gz HNXCZPSDQMKVOV-UHFFFAOYSA-N -1 1 287.697 2.927 20 0 CFADMM CC(C)N(CCC(=O)[O-])Cc1ccn(-c2ccccc2)n1 ZINC000061641265 412960947 /nfs/dbraw/zinc/96/09/47/412960947.db2.gz ONGWZQWGXOPOGJ-UHFFFAOYSA-N -1 1 287.363 2.557 20 0 CFADMM CO[C@H]1CCC[C@H]1CNc1ncc(C(F)(F)F)s1 ZINC000357686568 382278800 /nfs/dbraw/zinc/27/88/00/382278800.db2.gz 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292.360 2.842 20 0 CFADMM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000425153702 383334183 /nfs/dbraw/zinc/33/41/83/383334183.db2.gz JKRUUEBYEOGRTE-DIYOJNKTSA-N -1 1 285.265 2.939 20 0 CFADMM CC(C)CCOCCN(CC(=O)[O-])Cc1ccccc1 ZINC000567509529 383284057 /nfs/dbraw/zinc/28/40/57/383284057.db2.gz JCOIVBXOKPZEPW-UHFFFAOYSA-N -1 1 279.380 2.636 20 0 CFADMM O=c1c2c([n-]n1[C@H]1CCSC1)-c1ccccc1CCC2 ZINC000634627453 383285885 /nfs/dbraw/zinc/28/58/85/383285885.db2.gz CUFHIUGWPFNNFQ-JSGCOSHPSA-N -1 1 286.400 2.691 20 0 CFADMM CCCc1[n-]n(C[C@@H]2CCSC2)c(=O)c1CC ZINC000634628556 383287014 /nfs/dbraw/zinc/28/70/14/383287014.db2.gz AGHRTFUUFOGOQT-WDEREUQCSA-N -1 1 254.399 2.764 20 0 CFADMM Cc1c(=O)n(C[C@H]2CCSC2)[n-]c1-c1ccccc1 ZINC000634628920 383287239 /nfs/dbraw/zinc/28/72/39/383287239.db2.gz IMOIBTWSIFINIA-NWDGAFQWSA-N -1 1 274.389 2.622 20 0 CFADMM Cc1ccc(CCNC(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000521181682 383287414 /nfs/dbraw/zinc/28/74/14/383287414.db2.gz PQEIZLWYMJZUNC-UHFFFAOYSA-N -1 1 290.750 2.722 20 0 CFADMM COc1ccc(-n2[n-]c(C)cc2=O)c(C(F)(F)F)c1 ZINC000634629848 383288482 /nfs/dbraw/zinc/28/84/82/383288482.db2.gz FJUUFKQIABECIR-UHFFFAOYSA-N -1 1 272.226 2.827 20 0 CFADMM CC[C@H](C)c1cc(=O)n(-c2ccc(C(=O)[O-])c(F)c2)[nH]1 ZINC000634632304 383291014 /nfs/dbraw/zinc/29/10/14/383291014.db2.gz OCEKQOWIGMXCTH-QMMMGPOBSA-N -1 1 278.283 2.663 20 0 CFADMM Cc1nc(SCCOC2CCCC2)[n-]c(=O)c1C ZINC000521528283 383298913 /nfs/dbraw/zinc/29/89/13/383298913.db2.gz BHHUVEXVNZRBBT-UHFFFAOYSA-N -1 1 268.382 2.850 20 0 CFADMM CC(C)(C)c1cc(CN2C3CCC2(C(=O)[O-])CC3)no1 ZINC000634696765 383325227 /nfs/dbraw/zinc/32/52/27/383325227.db2.gz MCOSGQCVZLWTPX-UHFFFAOYSA-N -1 1 278.352 2.554 20 0 CFADMM CCc1nc(SCCC(C)(C)OC)[n-]c(=O)c1C ZINC000568296611 383390463 /nfs/dbraw/zinc/39/04/63/383390463.db2.gz PLLWQUOHGLLHGM-UHFFFAOYSA-N -1 1 270.398 2.960 20 0 CFADMM C[C@@H](CN1CCc2ccc(C(=O)[O-])cc2C1)C(F)(F)F ZINC000568075056 383356858 /nfs/dbraw/zinc/35/68/58/383356858.db2.gz 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/nfs/dbraw/zinc/54/58/64/383545864.db2.gz CGMHPQUMWBGLHC-VIFPVBQESA-N -1 1 284.381 2.703 20 0 CFADMM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000340916013 383503115 /nfs/dbraw/zinc/50/31/15/383503115.db2.gz GYWUMDDPGMBGJK-BXKDBHETSA-N -1 1 289.347 2.822 20 0 CFADMM C[C@@H]1CCN(Cc2nc(C(=O)[O-])co2)[C@H]2CCCC[C@H]12 ZINC000569612405 383519011 /nfs/dbraw/zinc/51/90/11/383519011.db2.gz WJMKOYQEGGQINH-WZRBSPASSA-N -1 1 278.352 2.773 20 0 CFADMM CCN(CCC(=O)[O-])Cc1csc(-c2ccoc2)n1 ZINC000569733574 383533668 /nfs/dbraw/zinc/53/36/68/383533668.db2.gz PQMJKIFSZQWAMH-UHFFFAOYSA-N -1 1 280.349 2.700 20 0 CFADMM O=S(=O)([N-]CCCCF)c1cc2cc(F)ccc2o1 ZINC000451571099 383650307 /nfs/dbraw/zinc/65/03/07/383650307.db2.gz UODAWEPKMITGCS-UHFFFAOYSA-N -1 1 289.303 2.600 20 0 CFADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1nccn1-c1ccccc1 ZINC000263100208 383654512 /nfs/dbraw/zinc/65/45/12/383654512.db2.gz AYULCPOLUQNESE-KGLIPLIRSA-N -1 1 299.374 2.557 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)N1CCC[C@@H](F)C1 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CO[C@H]1CCCC[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000645926942 383797556 /nfs/dbraw/zinc/79/75/56/383797556.db2.gz VMQZPSJJLXTQKS-SKDRFNHKSA-N -1 1 267.300 2.675 20 0 CFADMM CCc1cccc2c1OCC[C@@H]2NC(=O)c1cncc([O-])c1 ZINC000264899217 383798359 /nfs/dbraw/zinc/79/83/59/383798359.db2.gz WVSUAXNYGGNWLH-HNNXBMFYSA-N -1 1 298.342 2.603 20 0 CFADMM CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000436554279 383836875 /nfs/dbraw/zinc/83/68/75/383836875.db2.gz JMOOWPOGUUPQIG-GFCCVEGCSA-N -1 1 296.798 2.650 20 0 CFADMM O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000436586789 383843747 /nfs/dbraw/zinc/84/37/47/383843747.db2.gz CMAUWPVGAHROML-DOMZBBRYSA-N -1 1 285.318 2.892 20 0 CFADMM Cn1c(NC(=O)c2ccccc2[O-])nc2c1cccc2F ZINC000436585388 383843817 /nfs/dbraw/zinc/84/38/17/383843817.db2.gz PYKDHXZFKBSWKD-UHFFFAOYSA-N -1 1 285.278 2.670 20 0 CFADMM O=C(N[C@H]1C=CCCC1)c1cc(Cl)ccc1[O-] ZINC000436587323 383846603 /nfs/dbraw/zinc/84/66/03/383846603.db2.gz PHUDXHBHSVZGOD-JTQLQIEISA-N -1 1 251.713 2.884 20 0 CFADMM C[C@H](Cc1cccc(O)c1)NC(=O)c1cc(F)ccc1[O-] ZINC000436600428 383852564 /nfs/dbraw/zinc/85/25/64/383852564.db2.gz DZJRPAXKDQXDBW-SNVBAGLBSA-N -1 1 289.306 2.598 20 0 CFADMM CCC[C@H](CC)S(=O)(=O)[N-]c1ccn(C(C)C)n1 ZINC000573005149 383857398 /nfs/dbraw/zinc/85/73/98/383857398.db2.gz DVKMSRDGNNIXTO-NSHDSACASA-N -1 1 273.402 2.784 20 0 CFADMM CC(=O)c1ccc(NC(=O)c2c([O-])cccc2O)cc1C ZINC000436648357 383863342 /nfs/dbraw/zinc/86/33/42/383863342.db2.gz PTOGWQYQDUVEEG-UHFFFAOYSA-N -1 1 285.299 2.861 20 0 CFADMM Cc1ccc2c(c1)N(C(=O)C(=O)c1ccc([O-])cc1)CCC2 ZINC000436663551 383868839 /nfs/dbraw/zinc/86/88/39/383868839.db2.gz HKQDEUMZALMBPJ-UHFFFAOYSA-N -1 1 295.338 2.863 20 0 CFADMM COC(=O)CCC(C)(C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436547685 383835192 /nfs/dbraw/zinc/83/51/92/383835192.db2.gz PKGFWJHTMIAYFV-UHFFFAOYSA-N -1 1 299.754 2.507 20 0 CFADMM C[C@@H](CC(=O)[O-])N(C)Cc1csc(-c2ccccn2)n1 ZINC000573340074 383916072 /nfs/dbraw/zinc/91/60/72/383916072.db2.gz HFAYASCSFGVAJQ-JTQLQIEISA-N -1 1 291.376 2.500 20 0 CFADMM Cc1nc(CCNC(=O)c2cc(Cl)ccc2[O-])c(C)o1 ZINC000436733874 383885842 /nfs/dbraw/zinc/88/58/42/383885842.db2.gz YNYICUMGEXLIFD-UHFFFAOYSA-N -1 1 294.738 2.623 20 0 CFADMM CC1CC(NC(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436753443 383890077 /nfs/dbraw/zinc/89/00/77/383890077.db2.gz UQJCBENKEKGQEM-UHFFFAOYSA-N -1 1 273.254 2.939 20 0 CFADMM O=C(NCCn1cccc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436752089 383890334 /nfs/dbraw/zinc/89/03/34/383890334.db2.gz PKJZZRLSUFUWSB-UHFFFAOYSA-N -1 1 298.264 2.643 20 0 CFADMM O=C(NCC1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436763028 383892542 /nfs/dbraw/zinc/89/25/42/383892542.db2.gz IBMOHGKCPQWQOF-UHFFFAOYSA-N -1 1 273.254 2.941 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(CC(C)C)CCCC1 ZINC000646409438 383988719 /nfs/dbraw/zinc/98/87/19/383988719.db2.gz JLGPGLVFUUGHIE-UHFFFAOYSA-N -1 1 265.357 2.969 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000646410835 383988797 /nfs/dbraw/zinc/98/87/97/383988797.db2.gz ZQBPCHWPZZGNQR-PSASIEDQSA-N 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2.896 20 0 CFADMM CO[C@H]([C@H](C)NC(=O)c1cc(Cl)ccc1[O-])C1CC1 ZINC000388291816 324503593 /nfs/dbraw/zinc/50/35/93/324503593.db2.gz WUSBFZPWZWEEQH-ISVAXAHUSA-N -1 1 283.755 2.589 20 0 CFADMM CC1(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)CCC1 ZINC000579217823 324931600 /nfs/dbraw/zinc/93/16/00/324931600.db2.gz ZPVRPUDTCWKZBD-UHFFFAOYSA-N -1 1 291.301 2.906 20 0 CFADMM CCc1nc(SCC2CCC(=O)CC2)[n-]c(=O)c1C ZINC000579973785 324996816 /nfs/dbraw/zinc/99/68/16/324996816.db2.gz LFYQRQMLHLLVAV-UHFFFAOYSA-N -1 1 280.393 2.904 20 0 CFADMM CCc1nc(SC[C@H]2CCCC[C@H]2O)[n-]c(=O)c1C ZINC000580466476 325040025 /nfs/dbraw/zinc/04/00/25/325040025.db2.gz BVFHTXTZQACNHJ-ZYHUDNBSSA-N -1 1 282.409 2.696 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC=C(c2cccnc2)C1 ZINC000580635785 325052569 /nfs/dbraw/zinc/05/25/69/325052569.db2.gz HNKUFDJBTXVTRU-UHFFFAOYSA-N -1 1 298.317 2.856 20 0 CFADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cccc2c1OCCO2 ZINC000582066183 325173860 /nfs/dbraw/zinc/17/38/60/325173860.db2.gz SHTKBKFXBRUWGY-NSHDSACASA-N -1 1 299.392 2.778 20 0 CFADMM Cc1oc([C@@H](C)N2CCS[C@H](C)C2)cc1C(=O)[O-] ZINC000582247006 325189279 /nfs/dbraw/zinc/18/92/79/325189279.db2.gz YDIBCULDUKDGAB-RKDXNWHRSA-N -1 1 269.366 2.785 20 0 CFADMM Cc1nn(C(C)C)cc1C(=O)Nc1ccc(F)cc1[O-] ZINC000582497041 325209641 /nfs/dbraw/zinc/20/96/41/325209641.db2.gz QTZPQAMFGKXPCJ-UHFFFAOYSA-N -1 1 277.299 2.869 20 0 CFADMM CCCO[C@H]1CCCN(Cc2nc(C(=O)[O-])cs2)CC1 ZINC000582729477 325229792 /nfs/dbraw/zinc/22/97/92/325229792.db2.gz DLVZTRJTWDJVGH-NSHDSACASA-N -1 1 298.408 2.622 20 0 CFADMM Cc1oc(CN(C)C[C@H]2CCC(C)(C)O2)cc1C(=O)[O-] ZINC000583209078 325269112 /nfs/dbraw/zinc/26/91/12/325269112.db2.gz CFUZVOVMKAZTMY-LLVKDONJSA-N -1 1 281.352 2.676 20 0 CFADMM O=S(=O)([N-][C@H]1CCC[C@@H](F)C1)c1ccc(Cl)s1 ZINC000583437944 325287838 /nfs/dbraw/zinc/28/78/38/325287838.db2.gz MFEMSNXEZJYFTO-SFYZADRCSA-N -1 1 297.804 2.961 20 0 CFADMM CCN(Cc1occc1C)C(=O)c1cccc2nn[nH]c21 ZINC000583486964 325291169 /nfs/dbraw/zinc/29/11/69/325291169.db2.gz GGUKQBDKFSQOIT-UHFFFAOYSA-N -1 1 284.319 2.522 20 0 CFADMM CC(C)C(C)(C)N=c1nc(C(F)(F)F)[n-]s1 ZINC000583568522 325296912 /nfs/dbraw/zinc/29/69/12/325296912.db2.gz NRQXLCASJHFWLR-UHFFFAOYSA-N -1 1 253.293 2.825 20 0 CFADMM CN(C(=O)c1cc2ccccc2cc1[O-])C1CCOCC1 ZINC000036819347 329520376 /nfs/dbraw/zinc/52/03/76/329520376.db2.gz UZUHOUXWBQAAHQ-UHFFFAOYSA-N -1 1 285.343 2.796 20 0 CFADMM CC(C)Oc1cccc(F)c1-c1ccc(-c2nnn[n-]2)nc1 ZINC001243262440 782100071 /nfs/dbraw/zinc/10/00/71/782100071.db2.gz IHUGTQIUKDITOU-UHFFFAOYSA-N -1 1 299.309 2.855 20 0 CFADMM CC(C)Oc1cccc(F)c1-c1ccc(-c2nn[n-]n2)nc1 ZINC001243262440 782100077 /nfs/dbraw/zinc/10/00/77/782100077.db2.gz IHUGTQIUKDITOU-UHFFFAOYSA-N -1 1 299.309 2.855 20 0 CFADMM CCOC(=O)c1cccc(-c2ccc([O-])c(F)c2F)n1 ZINC001243339600 782144437 /nfs/dbraw/zinc/14/44/37/782144437.db2.gz QUICPTSFVMPIOS-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM CNC(=O)c1ccccc1-c1ccc([O-])c(F)c1F ZINC001243342407 782148202 /nfs/dbraw/zinc/14/82/02/782148202.db2.gz IYHWSIJNESJXSR-UHFFFAOYSA-N -1 1 263.243 2.697 20 0 CFADMM Cc1nnc2cc(-c3ccc([O-])c(F)c3F)ccn12 ZINC001243342206 782147501 /nfs/dbraw/zinc/14/75/01/782147501.db2.gz FNRWRLPXSXRNBQ-UHFFFAOYSA-N -1 1 261.231 2.689 20 0 CFADMM [O-]c1ccc(-c2ccnc(N3CCOCC3)c2)c(F)c1F ZINC001243342734 782147727 /nfs/dbraw/zinc/14/77/27/782147727.db2.gz RJBHCFSUDDSCBU-UHFFFAOYSA-N -1 1 292.285 2.569 20 0 CFADMM CSc1ncc(-c2ccc([O-])c(F)c2F)cn1 ZINC001243342925 782149057 /nfs/dbraw/zinc/14/90/57/782149057.db2.gz PWTBERIRKCNGTA-UHFFFAOYSA-N -1 1 254.261 2.849 20 0 CFADMM FC(F)Oc1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001243356187 782155291 /nfs/dbraw/zinc/15/52/91/782155291.db2.gz OHIKFWXOFJDEEI-UHFFFAOYSA-N -1 1 289.245 2.530 20 0 CFADMM FC(F)Oc1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001243356187 782155296 /nfs/dbraw/zinc/15/52/96/782155296.db2.gz OHIKFWXOFJDEEI-UHFFFAOYSA-N -1 1 289.245 2.530 20 0 CFADMM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000162701776 520396056 /nfs/dbraw/zinc/39/60/56/520396056.db2.gz BJQCBRNDMPACJL-SNVBAGLBSA-N -1 1 289.347 2.822 20 0 CFADMM CC1(C)C[C@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000732834659 574175019 /nfs/dbraw/zinc/17/50/19/574175019.db2.gz DBWDQBRMAUZNTD-QMMMGPOBSA-N -1 1 253.729 2.822 20 0 CFADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2)c(C)c1F ZINC000181114534 500633494 /nfs/dbraw/zinc/63/34/94/500633494.db2.gz ZFSADMVPCLGKEV-UHFFFAOYSA-N -1 1 295.335 2.944 20 0 CFADMM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(F)cc2[O-])c1C ZINC000336371900 518230070 /nfs/dbraw/zinc/23/00/70/518230070.db2.gz OIVCTXUAGVFEAH-UHFFFAOYSA-N -1 1 290.294 2.931 20 0 CFADMM Cc1ccc2nc(CNC(=O)c3ccc(F)cc3[O-])[nH]c2c1 ZINC000179007448 534358474 /nfs/dbraw/zinc/35/84/74/534358474.db2.gz VMOJZOHTVLMLDM-UHFFFAOYSA-N -1 1 299.305 2.646 20 0 CFADMM Cc1nc(CNCc2cccc(F)c2)ccc1C(=O)[O-] ZINC000426655725 534387202 /nfs/dbraw/zinc/38/72/02/534387202.db2.gz FHDKFUXWTLOZCL-UHFFFAOYSA-N -1 1 274.295 2.517 20 0 CFADMM CCCCC[C@@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000339960641 520294637 /nfs/dbraw/zinc/29/46/37/520294637.db2.gz URKQNRIPYVBQSW-CYBMUJFWSA-N -1 1 262.353 2.972 20 0 CFADMM CCCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000192709004 520976504 /nfs/dbraw/zinc/97/65/04/520976504.db2.gz HLSSGOKQUJLYAB-UHFFFAOYSA-N -1 1 268.382 2.956 20 0 CFADMM O=C([O-])[C@H](NCc1cccc(F)c1)c1ccccc1F ZINC000426769956 534532050 /nfs/dbraw/zinc/53/20/50/534532050.db2.gz NIDKBDWOGJGZCP-CQSZACIVSA-N -1 1 277.270 2.880 20 0 CFADMM O=C([O-])c1coc(CNCc2ccc3ncccc3c2)c1 ZINC000426716987 534551609 /nfs/dbraw/zinc/55/16/09/534551609.db2.gz ZHNDQYYFPVOKDJ-UHFFFAOYSA-N -1 1 282.299 2.816 20 0 CFADMM COc1cc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)cc(Cl)c1[O-] ZINC000336170972 522096325 /nfs/dbraw/zinc/09/63/25/522096325.db2.gz RSNRYHFVFBMHFN-AOOOYVTPSA-N -1 1 295.766 2.782 20 0 CFADMM O=C(NC[C@H]1CC12CCSCC2)c1cc(F)ccc1[O-] ZINC000421914318 534631774 /nfs/dbraw/zinc/63/17/74/534631774.db2.gz LQMZABULTFOIIS-SNVBAGLBSA-N -1 1 295.379 2.794 20 0 CFADMM COc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000335935509 523750901 /nfs/dbraw/zinc/75/09/01/523750901.db2.gz GZKVUQZGFOLZLQ-UHFFFAOYSA-N -1 1 261.252 2.792 20 0 CFADMM COc1ccc(CS(=O)(=O)c2ccc([O-])cc2)cc1F ZINC000049489000 524121740 /nfs/dbraw/zinc/12/17/40/524121740.db2.gz YWCYTHDOMUGAPC-UHFFFAOYSA-N -1 1 296.319 2.514 20 0 CFADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)no1 ZINC000082193021 524171320 /nfs/dbraw/zinc/17/13/20/524171320.db2.gz BZZKUSBCILUUJL-UHFFFAOYSA-N -1 1 252.657 2.594 20 0 CFADMM C[C@H]1CCC[C@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000334831114 524217963 /nfs/dbraw/zinc/21/79/63/524217963.db2.gz MIVRISJQAHTGQG-IUCAKERBSA-N -1 1 269.291 2.836 20 0 CFADMM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000340873120 524369495 /nfs/dbraw/zinc/36/94/95/524369495.db2.gz QPLJGALLTQFIRY-WCBMZHEXSA-N -1 1 291.775 2.946 20 0 CFADMM COc1ccccc1CNCc1ccccc1CC(=O)[O-] ZINC000167576716 524489196 /nfs/dbraw/zinc/48/91/96/524489196.db2.gz UGZFMRGLSRWEIO-UHFFFAOYSA-N -1 1 285.343 2.612 20 0 CFADMM O=C(NC1CCCCCC1)c1c([O-])cccc1F ZINC000163570371 534796785 /nfs/dbraw/zinc/79/67/85/534796785.db2.gz NBYNNWGWPSTVEG-UHFFFAOYSA-N -1 1 251.301 2.984 20 0 CFADMM C[C@H]1C[C@@H]1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000228316620 524844908 /nfs/dbraw/zinc/84/49/08/524844908.db2.gz TXJTWVFZWITMDI-IONNQARKSA-N -1 1 284.153 2.541 20 0 CFADMM O=C(Nc1ccc(OC(F)F)cc1)c1ccc(O)cc1[O-] ZINC000192669702 534833361 /nfs/dbraw/zinc/83/33/61/534833361.db2.gz LPNGSNCOAQJHHL-UHFFFAOYSA-N -1 1 295.241 2.952 20 0 CFADMM Cc1ccccc1CS(=O)(=O)c1ccc([O-])cc1 ZINC000049489081 525182242 /nfs/dbraw/zinc/18/22/42/525182242.db2.gz UEGMNADXUOYASU-UHFFFAOYSA-N -1 1 262.330 2.675 20 0 CFADMM C[C@@H]1C[C@@H](C)N1C(=O)c1cc(Br)ccc1[O-] ZINC000336157888 525218333 /nfs/dbraw/zinc/21/83/33/525218333.db2.gz GMVFICYHHKYJKX-HTQZYQBOSA-N -1 1 284.153 2.778 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)nc1 ZINC000243262646 525293924 /nfs/dbraw/zinc/29/39/24/525293924.db2.gz KTZAEAWYNBHUBW-UHFFFAOYSA-N -1 1 296.779 2.985 20 0 CFADMM Cc1ccc(-c2ncc(CN3CC(C(=O)[O-])C3)s2)cc1 ZINC000263499393 525830854 /nfs/dbraw/zinc/83/08/54/525830854.db2.gz KKUYTNJCDXZKOP-UHFFFAOYSA-N -1 1 288.372 2.635 20 0 CFADMM COc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1F ZINC000336438673 525834974 /nfs/dbraw/zinc/83/49/74/525834974.db2.gz QZRLHZGURLJDIZ-UHFFFAOYSA-N -1 1 279.242 2.931 20 0 CFADMM C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1ncccc1[O-] ZINC000336106723 526028489 /nfs/dbraw/zinc/02/84/89/526028489.db2.gz IJDPBLLSGZQGGZ-VIFPVBQESA-N -1 1 292.285 2.899 20 0 CFADMM C[C@@H](c1ccccc1F)N(C)C(=O)c1ncccc1[O-] ZINC000062017868 526105416 /nfs/dbraw/zinc/10/54/16/526105416.db2.gz CMYZRESHAZWMBM-JTQLQIEISA-N -1 1 274.295 2.760 20 0 CFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)CCC(C)C ZINC000078486560 526214783 /nfs/dbraw/zinc/21/47/83/526214783.db2.gz YPBUQVARIOQNPP-VIFPVBQESA-N -1 1 297.424 2.767 20 0 CFADMM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000334087686 526220830 /nfs/dbraw/zinc/22/08/30/526220830.db2.gz RJPMTUMHQUKNJH-SMDDNHRTSA-N -1 1 289.375 2.906 20 0 CFADMM O=C([O-])[C@@H]1CCCN(Cc2csc(-c3ccoc3)n2)C1 ZINC000164553387 526273107 /nfs/dbraw/zinc/27/31/07/526273107.db2.gz OKKCPHZBWXWWRW-SNVBAGLBSA-N -1 1 292.360 2.700 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC2(CCC2(F)F)C1 ZINC000334164564 526611341 /nfs/dbraw/zinc/61/13/41/526611341.db2.gz ADZQYNYTVVJBOS-UHFFFAOYSA-N -1 1 287.693 2.917 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@@H]1C(F)F ZINC000336147863 526622440 /nfs/dbraw/zinc/62/24/40/526622440.db2.gz CZHXWEMNZXWAOU-SNVBAGLBSA-N -1 1 273.254 2.791 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC(C(F)F)CC1 ZINC000307881890 526623224 /nfs/dbraw/zinc/62/32/24/526623224.db2.gz LBFGRQIDHFEGTB-UHFFFAOYSA-N -1 1 273.254 2.649 20 0 CFADMM O=C(CCc1cscn1)Nc1ccc(F)cc1[O-] ZINC000340331539 526642364 /nfs/dbraw/zinc/64/23/64/526642364.db2.gz RDBPMCKGPJTEKB-UHFFFAOYSA-N -1 1 266.297 2.559 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCCC[C@H]1C(F)F ZINC000336148827 526703156 /nfs/dbraw/zinc/70/31/56/526703156.db2.gz STHLQLRQLCOBIP-NSHDSACASA-N -1 1 273.254 2.791 20 0 CFADMM O=C(N[C@@H]1CC12CCCC2)c1c(F)ccc([O-])c1F ZINC000336447410 526879014 /nfs/dbraw/zinc/87/90/14/526879014.db2.gz FLEWZEKMKKAAAX-SNVBAGLBSA-N -1 1 267.275 2.733 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCc2cc(Cl)ccc2C1 ZINC000191594404 526881403 /nfs/dbraw/zinc/88/14/03/526881403.db2.gz ZJFPXEZIOYXKLH-UHFFFAOYSA-N -1 1 288.734 2.639 20 0 CFADMM O=C(COc1ccccc1F)Nc1ccc(F)cc1[O-] ZINC000340330137 526993812 /nfs/dbraw/zinc/99/38/12/526993812.db2.gz GYRBAUIPXLEJLS-UHFFFAOYSA-N -1 1 279.242 2.688 20 0 CFADMM O=C(CSCc1ccncc1)Nc1ccc(F)cc1[O-] ZINC000340331944 527029571 /nfs/dbraw/zinc/02/95/71/527029571.db2.gz UIPHVUTVLULSEX-UHFFFAOYSA-N -1 1 292.335 2.798 20 0 CFADMM O=C(C[C@@H]1CCCCO1)Nc1ccc([O-])c(F)c1F ZINC000335019173 527113721 /nfs/dbraw/zinc/11/37/21/527113721.db2.gz VRUASXUOYDRZJM-QMMMGPOBSA-N -1 1 271.263 2.568 20 0 CFADMM Cn1cccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082192845 527390275 /nfs/dbraw/zinc/39/02/75/527390275.db2.gz VWSJHNCVWTYLSV-UHFFFAOYSA-N -1 1 250.685 2.636 20 0 CFADMM CCCCCN1CC(=O)N[C@H]1c1cccc([O-])c1Cl ZINC000414217244 528185216 /nfs/dbraw/zinc/18/52/16/528185216.db2.gz XVJUMOHAOOKZBA-CQSZACIVSA-N -1 1 282.771 2.666 20 0 CFADMM CCCCC[C@H](CC)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000123519929 528271025 /nfs/dbraw/zinc/27/10/25/528271025.db2.gz HBBUKVZJXNZOBY-STQMWFEESA-N -1 1 293.415 2.512 20 0 CFADMM CCCc1csc(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC000422639112 528668329 /nfs/dbraw/zinc/66/83/29/528668329.db2.gz WBCGVASXLDNXCQ-MNOVXSKESA-N -1 1 282.409 2.638 20 0 CFADMM CCC(CC)c1cc(CNC(=O)c2cncc([O-])c2)on1 ZINC000174047507 528883290 /nfs/dbraw/zinc/88/32/90/528883290.db2.gz LJSPYRNIPURDRI-UHFFFAOYSA-N -1 1 289.335 2.609 20 0 CFADMM CCC[C@@H](C)C[C@H](NCc1occc1C)C(=O)[O-] ZINC000426819832 528883362 /nfs/dbraw/zinc/88/33/62/528883362.db2.gz JDVBJDCKVRJVPP-PWSUYJOCSA-N -1 1 253.342 2.957 20 0 CFADMM CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000427248447 528995299 /nfs/dbraw/zinc/99/52/99/528995299.db2.gz GHRNFQAUPLMJIO-GFCCVEGCSA-N -1 1 289.347 2.822 20 0 CFADMM CCN(C(=O)c1ncc(C)cc1[O-])[C@H]1CCOC(C)(C)C1 ZINC000426773439 529103726 /nfs/dbraw/zinc/10/37/26/529103726.db2.gz PHJKDNBGTOVALG-LBPRGKRZSA-N -1 1 292.379 2.515 20 0 CFADMM CC(C)[C@H](NC(=O)c1cc(F)ccc1[O-])C(F)(F)F ZINC000413987943 529107331 /nfs/dbraw/zinc/10/73/31/529107331.db2.gz OPGCDXZLAXFXOM-JTQLQIEISA-N -1 1 279.233 2.848 20 0 CFADMM CC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])C(F)F ZINC000452257809 535800358 /nfs/dbraw/zinc/80/03/58/535800358.db2.gz WMKDICMSAVPPEK-MRVPVSSYSA-N -1 1 263.671 2.819 20 0 CFADMM CN(CC[C@H]1CCCO1)C(=O)c1cc(Cl)ccc1[O-] ZINC000436793481 536409056 /nfs/dbraw/zinc/40/90/56/536409056.db2.gz RMVJTEHDJYKWDS-LLVKDONJSA-N -1 1 283.755 2.687 20 0 CFADMM Cc1oc(CN2CCS[C@@H](C)[C@H]2C)cc1C(=O)[O-] ZINC000228976353 545534806 /nfs/dbraw/zinc/53/48/06/545534806.db2.gz AZZPHZQMLVODKD-SCZZXKLOSA-N -1 1 269.366 2.612 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000935098887 649875154 /nfs/dbraw/zinc/87/51/54/649875154.db2.gz DGHMTVNXLXRLMO-ILPMLJPZSA-N -1 1 261.296 2.762 20 0 CFADMM CCOc1cc(C)ccc1-c1nc(C)cc2c1C(=O)[N-]C2=O ZINC001243395273 782179847 /nfs/dbraw/zinc/17/98/47/782179847.db2.gz MKOAVGYKGLMQRG-UHFFFAOYSA-N -1 1 296.326 2.648 20 0 CFADMM CCC1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000736412199 574049670 /nfs/dbraw/zinc/04/96/70/574049670.db2.gz VACANJNAFOEWDF-UHFFFAOYSA-N -1 1 292.774 2.542 20 0 CFADMM CCC1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000736412199 574049672 /nfs/dbraw/zinc/04/96/72/574049672.db2.gz VACANJNAFOEWDF-UHFFFAOYSA-N -1 1 292.774 2.542 20 0 CFADMM CCCCCNc1c(-c2nn[nH]n2)c[nH+]c2c(C)cccc12 ZINC000736451052 574056481 /nfs/dbraw/zinc/05/64/81/574056481.db2.gz GGLQRJMCOOBYBE-UHFFFAOYSA-N -1 1 296.378 2.747 20 0 CFADMM CSCC[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000736710474 574067811 /nfs/dbraw/zinc/06/78/11/574067811.db2.gz DKHOOIKWXRWJGZ-QMMMGPOBSA-N -1 1 273.785 2.917 20 0 CFADMM CC[C@H](C(=O)OCc1cccc(C(=O)[O-])c1)N(CC)CC ZINC000736859819 574082121 /nfs/dbraw/zinc/08/21/21/574082121.db2.gz ILLMDSVKQDGGKX-CQSZACIVSA-N -1 1 293.363 2.548 20 0 CFADMM CCc1noc([C@H](C)OC(=O)c2c([O-])cc(F)cc2F)n1 ZINC000744879764 574091610 /nfs/dbraw/zinc/09/16/10/574091610.db2.gz FRKCYDPRWQHUTD-LURJTMIESA-N -1 1 298.245 2.534 20 0 CFADMM C[C@H]1CC[C@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672344205 574098384 /nfs/dbraw/zinc/09/83/84/574098384.db2.gz BPRJOTOVTBTYNO-OIBJUYFYSA-N -1 1 273.254 2.939 20 0 CFADMM CCN1CCCC[C@@H]1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000737114912 574113247 /nfs/dbraw/zinc/11/32/47/574113247.db2.gz MGVBIJMAVWKVGE-CYBMUJFWSA-N -1 1 291.351 2.589 20 0 CFADMM CSc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000737192747 574117595 /nfs/dbraw/zinc/11/75/95/574117595.db2.gz ZUDGDNXULXFFAH-UHFFFAOYSA-N -1 1 298.375 2.596 20 0 CFADMM CSc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000737192747 574117597 /nfs/dbraw/zinc/11/75/97/574117597.db2.gz ZUDGDNXULXFFAH-UHFFFAOYSA-N -1 1 298.375 2.596 20 0 CFADMM CCCCCC[C@](C)(NC(=O)c1[nH]nc(C)c1C)C(=O)[O-] ZINC000737815847 574124403 /nfs/dbraw/zinc/12/44/03/574124403.db2.gz CRMXEGDSXRZEAN-HNNXBMFYSA-N -1 1 295.383 2.570 20 0 CFADMM CC(C)Oc1ccc(CN2CCC[C@@H](NC(=O)[O-])C2)cc1 ZINC000737644553 574151666 /nfs/dbraw/zinc/15/16/66/574151666.db2.gz XLGDDFCTLMNUGL-CQSZACIVSA-N -1 1 292.379 2.706 20 0 CFADMM Cc1ccc(-c2cnn(C[N@H+]3CCC[C@@H](C(=O)[O-])C3)c2)cc1 ZINC000738489037 574171102 /nfs/dbraw/zinc/17/11/02/574171102.db2.gz ZCFJDLULQHEZML-OAHLLOKOSA-N -1 1 299.374 2.613 20 0 CFADMM Cc1ccc(-c2cnn(CN3CCC[C@@H](C(=O)[O-])C3)c2)cc1 ZINC000738489037 574171106 /nfs/dbraw/zinc/17/11/06/574171106.db2.gz ZCFJDLULQHEZML-OAHLLOKOSA-N -1 1 299.374 2.613 20 0 CFADMM Cc1ccc(C)c(CNCc2ccc(C(=O)[O-])o2)c1 ZINC000738573082 574173706 /nfs/dbraw/zinc/17/37/06/574173706.db2.gz FOWBLSRPJRMJRK-UHFFFAOYSA-N -1 1 259.305 2.884 20 0 CFADMM O=C([N-]c1cc(-c2ccccc2F)no1)c1cnns1 ZINC000732829733 574174475 /nfs/dbraw/zinc/17/44/75/574174475.db2.gz HIGZASMFVILJMQ-UHFFFAOYSA-N -1 1 290.279 2.585 20 0 CFADMM O=C([O-])CCCSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000738586357 574189988 /nfs/dbraw/zinc/18/99/88/574189988.db2.gz QEZRPEFISNUVOY-UHFFFAOYSA-N -1 1 299.302 2.707 20 0 CFADMM C[C@@H](NCCNC(=O)[O-])c1cccc(Cl)c1Cl ZINC000739034363 574194104 /nfs/dbraw/zinc/19/41/04/574194104.db2.gz MCLRQTOMBAOFMH-SSDOTTSWSA-N -1 1 277.151 2.912 20 0 CFADMM C[C@@H](c1c(F)cccc1F)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739050589 574194741 /nfs/dbraw/zinc/19/47/41/574194741.db2.gz AZOSOSHGDLDPMW-QWRGUYRKSA-N -1 1 298.333 2.958 20 0 CFADMM C[C@@H](c1ccc(Cl)cc1)N1CC[C@H](NC(=O)[O-])C1 ZINC000739055318 574195261 /nfs/dbraw/zinc/19/52/61/574195261.db2.gz WNEKYVKIGPTKNC-CABZTGNLSA-N -1 1 268.744 2.743 20 0 CFADMM C[C@H](c1ccccc1Cl)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739056398 574195351 /nfs/dbraw/zinc/19/53/51/574195351.db2.gz DWHKEZOWPFICPB-NXEZZACHSA-N -1 1 268.744 2.743 20 0 CFADMM C[C@H]1CN(Cc2ccc(Cl)s2)CC[C@H]1NC(=O)[O-] ZINC000739187141 574199882 /nfs/dbraw/zinc/19/98/82/574199882.db2.gz HVMHWZHHKOYZMK-WCBMZHEXSA-N -1 1 288.800 2.880 20 0 CFADMM C[C@]1(NC(=O)c2c([O-])cccc2Cl)CCO[C@H]1C1CC1 ZINC000753360340 574200407 /nfs/dbraw/zinc/20/04/07/574200407.db2.gz LHLCDGOQWQVEQV-ZFWWWQNUSA-N -1 1 295.766 2.733 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)C1CCC1 ZINC000756092316 574209055 /nfs/dbraw/zinc/20/90/55/574209055.db2.gz QTMBBPBMSILFTP-SECBINFHSA-N -1 1 277.368 2.532 20 0 CFADMM CCCc1nc(CN[C@](C)(CNC(=O)[O-])C(C)C)cs1 ZINC000739378205 574211072 /nfs/dbraw/zinc/21/10/72/574211072.db2.gz GUZDCHBHACSEPE-CQSZACIVSA-N -1 1 299.440 2.868 20 0 CFADMM O=C([O-])C[C@@H]1CCCCN1Cc1cccnc1Cl ZINC000739638962 574221579 /nfs/dbraw/zinc/22/15/79/574221579.db2.gz JABHDTFAGSGVNB-NSHDSACASA-N -1 1 268.744 2.564 20 0 CFADMM O=C([O-])Cc1ccccc1CNCc1cccnc1Cl ZINC000756300469 574222850 /nfs/dbraw/zinc/22/28/50/574222850.db2.gz MEBNGOMYDLVFNG-UHFFFAOYSA-N -1 1 290.750 2.652 20 0 CFADMM O=C([O-])[C@H](NCc1ccc(Cl)nc1)c1ccsc1 ZINC000756364008 574229927 /nfs/dbraw/zinc/22/99/27/574229927.db2.gz YQHGBYLFJWYJDX-LLVKDONJSA-N -1 1 282.752 2.712 20 0 CFADMM O=C([O-])c1ccc(CN2CCc3ccc(O)cc3C2)cc1 ZINC000740125994 574237496 /nfs/dbraw/zinc/23/74/96/574237496.db2.gz YOAMIRFLJJNYKO-UHFFFAOYSA-N -1 1 283.327 2.649 20 0 CFADMM O=C(O[C@@H]1C=CCCC1)c1c([O-])cc(F)cc1F ZINC000733471955 574239876 /nfs/dbraw/zinc/23/98/76/574239876.db2.gz ZQZSBYDTSLRODT-SECBINFHSA-N -1 1 254.232 2.936 20 0 CFADMM O=C([O-])NCCN1CCC[C@@H]1c1ccccc1Cl ZINC000740657457 574260733 /nfs/dbraw/zinc/26/07/33/574260733.db2.gz CFNWZCPGQAXSOQ-GFCCVEGCSA-N -1 1 268.744 2.745 20 0 CFADMM CC1(C)[C@H](NC(=O)c2c([O-])cccc2Cl)[C@@H]2CCO[C@H]21 ZINC000741291514 574285977 /nfs/dbraw/zinc/28/59/77/574285977.db2.gz AFZPNJSPTJPVNS-ZEGGKSINSA-N -1 1 295.766 2.589 20 0 CFADMM Cc1nc(COC(=O)c2c([O-])cc(F)cc2F)oc1C ZINC000749281370 574287955 /nfs/dbraw/zinc/28/79/55/574287955.db2.gz YAZQIFNFBOKRHY-UHFFFAOYSA-N -1 1 283.230 2.632 20 0 CFADMM O=C([N-]CCOc1ccc(Cl)cc1)C(F)(F)C(F)F ZINC000749335422 574289800 /nfs/dbraw/zinc/28/98/00/574289800.db2.gz RDZSZYFJQXQDEX-UHFFFAOYSA-N -1 1 299.651 2.735 20 0 CFADMM CC1(C)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000736211314 574354705 /nfs/dbraw/zinc/35/47/05/574354705.db2.gz OMNZSWOCVMUDII-UHFFFAOYSA-N -1 1 292.774 2.542 20 0 CFADMM CC1(C)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000736211314 574354707 /nfs/dbraw/zinc/35/47/07/574354707.db2.gz OMNZSWOCVMUDII-UHFFFAOYSA-N -1 1 292.774 2.542 20 0 CFADMM C[C@@H](C(=O)Nc1sccc1C(=O)[O-])N1CCCCCC1 ZINC000736219780 574355384 /nfs/dbraw/zinc/35/53/84/574355384.db2.gz ROBSHLZQXZJDIG-JTQLQIEISA-N -1 1 296.392 2.649 20 0 CFADMM Cc1ncc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)s1 ZINC000752409046 574391085 /nfs/dbraw/zinc/39/10/85/574391085.db2.gz ICAVTGSNGDJHHH-UHFFFAOYSA-N -1 1 292.364 2.631 20 0 CFADMM O=C(C[C@@H]1CSCCS1)Nc1c([O-])cccc1F ZINC000752621425 574393284 /nfs/dbraw/zinc/39/32/84/574393284.db2.gz FVGLFITXINSFPJ-MRVPVSSYSA-N -1 1 287.381 2.709 20 0 CFADMM CO[C@@H]1C[C@@H](NC(=O)c2c([O-])cccc2Cl)C1(C)C ZINC000753342946 574401568 /nfs/dbraw/zinc/40/15/68/574401568.db2.gz PMHGGFCGDLRQKR-GHMZBOCLSA-N -1 1 283.755 2.589 20 0 CFADMM CC[C@H]1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000095263759 598973532 /nfs/dbraw/zinc/97/35/32/598973532.db2.gz SVHOLLZOMBCMHP-WDEREUQCSA-N -1 1 272.356 2.642 20 0 CFADMM CC[C@H]1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000095263759 598973533 /nfs/dbraw/zinc/97/35/33/598973533.db2.gz SVHOLLZOMBCMHP-WDEREUQCSA-N -1 1 272.356 2.642 20 0 CFADMM CCCCc1nc(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)cs1 ZINC000829439711 601525613 /nfs/dbraw/zinc/52/56/13/601525613.db2.gz CUCYDSDLVLMCCQ-JQWIXIFHSA-N -1 1 282.409 2.638 20 0 CFADMM Cc1nc2ccc(NCc3ccc(-c4nnn[n-]4)o3)cc2o1 ZINC000822462670 607311787 /nfs/dbraw/zinc/31/17/87/607311787.db2.gz LIIDECCFFXDMNQ-UHFFFAOYSA-N -1 1 296.290 2.521 20 0 CFADMM Cc1nc2ccc(NCc3ccc(-c4nn[n-]n4)o3)cc2o1 ZINC000822462670 607311788 /nfs/dbraw/zinc/31/17/88/607311788.db2.gz LIIDECCFFXDMNQ-UHFFFAOYSA-N -1 1 296.290 2.521 20 0 CFADMM COCC[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccco1 ZINC000263383580 597603235 /nfs/dbraw/zinc/60/32/35/597603235.db2.gz CJFWEVQQRYVTFX-CQSZACIVSA-N -1 1 289.331 2.845 20 0 CFADMM CC[C@@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820862975 607326288 /nfs/dbraw/zinc/32/62/88/607326288.db2.gz SEXAPJJPNQHIJL-PHDIDXHHSA-N -1 1 286.792 2.823 20 0 CFADMM CC[C@@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820862975 607326289 /nfs/dbraw/zinc/32/62/89/607326289.db2.gz SEXAPJJPNQHIJL-PHDIDXHHSA-N -1 1 286.792 2.823 20 0 CFADMM C[C@@H](NC1CCC(C(=O)[O-])CC1)c1nc(C(C)(C)C)no1 ZINC000820136261 598135607 /nfs/dbraw/zinc/13/56/07/598135607.db2.gz NMPPNXSVBVZVCT-KPPDAEKUSA-N -1 1 295.383 2.661 20 0 CFADMM CC(C)[C@H](N[C@@H](C)c1nc2c(s1)CCCC2)C(=O)[O-] ZINC000820154807 598196731 /nfs/dbraw/zinc/19/67/31/598196731.db2.gz YRODSNWXZQOQSC-CABZTGNLSA-N -1 1 282.409 2.782 20 0 CFADMM Cc1ccc2c(c1)[C@@H](NCc1cccc(C(=O)[O-])c1)CO2 ZINC000821103842 598204701 /nfs/dbraw/zinc/20/47/01/598204701.db2.gz RTPODUBHXYHKBY-HNNXBMFYSA-N -1 1 283.327 2.917 20 0 CFADMM C[C@H](CC(=O)[O-])N[C@H](c1nccs1)c1ccccc1 ZINC000820071673 598213921 /nfs/dbraw/zinc/21/39/21/598213921.db2.gz DOZZNZZAWMPEMU-MFKMUULPSA-N -1 1 276.361 2.685 20 0 CFADMM C[C@@H](CC(=O)[O-])N[C@@H](c1nccs1)c1ccccc1 ZINC000820071672 598213949 /nfs/dbraw/zinc/21/39/49/598213949.db2.gz DOZZNZZAWMPEMU-GXFFZTMASA-N -1 1 276.361 2.685 20 0 CFADMM COc1ccc(Cl)cc1CN(C)C/C=C(\C)C(=O)[O-] ZINC000832367588 601050893 /nfs/dbraw/zinc/05/08/93/601050893.db2.gz JCZGYHHESRXUQG-UXBLZVDNSA-N -1 1 283.755 2.811 20 0 CFADMM CC[C@@H]1C[C@@H](C)CN1Cn1nc(C(=O)[O-])c(Cl)c1C ZINC000829074368 601055091 /nfs/dbraw/zinc/05/50/91/601055091.db2.gz DDIDSODFWQYSJZ-PSASIEDQSA-N -1 1 285.775 2.621 20 0 CFADMM CC[C@H](C)CN(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820870420 599546816 /nfs/dbraw/zinc/54/68/16/599546816.db2.gz SHKGXJISWDYQLO-NSHDSACASA-N -1 1 296.378 2.897 20 0 CFADMM CC[C@H](C)CN(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820870420 599546818 /nfs/dbraw/zinc/54/68/18/599546818.db2.gz SHKGXJISWDYQLO-NSHDSACASA-N -1 1 296.378 2.897 20 0 CFADMM CC(C)CN(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900143751 620642889 /nfs/dbraw/zinc/64/28/89/620642889.db2.gz MGVNGQCAQUVVEW-UHFFFAOYSA-N -1 1 276.311 2.808 20 0 CFADMM O=C([O-])[C@@H]1CC12CCN(Cc1cc(F)ccc1F)CC2 ZINC000405457714 600290212 /nfs/dbraw/zinc/29/02/12/600290212.db2.gz ZCCJWWVHNMLNCM-LBPRGKRZSA-N -1 1 281.302 2.652 20 0 CFADMM O=C([O-])c1ccc(CNCc2cccc3cccnc32)o1 ZINC000159332672 600524734 /nfs/dbraw/zinc/52/47/34/600524734.db2.gz KMBHAEIUPRVJND-UHFFFAOYSA-N -1 1 282.299 2.816 20 0 CFADMM CC(C)c1cnc(CN2CCCC[C@H]2CC(=O)[O-])o1 ZINC000700773174 600639476 /nfs/dbraw/zinc/63/94/76/600639476.db2.gz WMDRDXOHDLMWJO-NSHDSACASA-N -1 1 266.341 2.627 20 0 CFADMM CC(C)C[C@@H](CNC(=O)c1ccc(O)c(Cl)c1)C(=O)[O-] ZINC000094701751 600774193 /nfs/dbraw/zinc/77/41/93/600774193.db2.gz XXVNMGIKQUBXOF-JTQLQIEISA-N -1 1 299.754 2.522 20 0 CFADMM CC[C@@H]1C[C@@H](C)CN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000829074407 600801481 /nfs/dbraw/zinc/80/14/81/600801481.db2.gz DZSCKSWOEFFMGB-NXEZZACHSA-N -1 1 296.392 2.505 20 0 CFADMM Cc1[nH]c(C(=O)CN2[C@H](C)CCC[C@@H]2C)c(C)c1C(=O)[O-] ZINC000832844769 600825119 /nfs/dbraw/zinc/82/51/19/600825119.db2.gz XHGXDFUPWQFYIK-AOOOYVTPSA-N -1 1 292.379 2.775 20 0 CFADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H]1c1cnn(C)c1 ZINC000386933690 600997903 /nfs/dbraw/zinc/99/79/03/600997903.db2.gz KQXRIJXKOZYALE-ZYHUDNBSSA-N -1 1 289.335 2.609 20 0 CFADMM Cc1[nH]c(C(=O)[C@H](C)N2CCC(C)(C)C2)c(C)c1C(=O)[O-] ZINC000832842452 601038806 /nfs/dbraw/zinc/03/88/06/601038806.db2.gz BQUBATYSAXFGEM-NSHDSACASA-N -1 1 292.379 2.633 20 0 CFADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccccn2)o1 ZINC000833312289 601389277 /nfs/dbraw/zinc/38/92/77/601389277.db2.gz AROZQDHBGRENBE-ZDUSSCGKSA-N -1 1 272.304 2.710 20 0 CFADMM CC[C@H]1CCCC[C@@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900187090 620648540 /nfs/dbraw/zinc/64/85/40/620648540.db2.gz DXDBAXFTUJZYAQ-GWCFXTLKSA-N -1 1 289.379 2.758 20 0 CFADMM O=C([O-])[C@@]1(F)CCN(Cc2ccc3ccccc3c2)C1 ZINC000833176385 601438402 /nfs/dbraw/zinc/43/84/02/601438402.db2.gz YATODOSAEJNFBK-MRXNPFEDSA-N -1 1 273.307 2.838 20 0 CFADMM Cc1cccc(C)c1OCCCN1CC[C@](F)(C(=O)[O-])C1 ZINC000832965319 601446096 /nfs/dbraw/zinc/44/60/96/601446096.db2.gz JOEJFGNLZJBVBE-MRXNPFEDSA-N -1 1 295.354 2.571 20 0 CFADMM CC[C@H](c1ccc(F)cc1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000829021756 601448721 /nfs/dbraw/zinc/44/87/21/601448721.db2.gz XUHKRFKAQKJOEQ-TZMCWYRMSA-N -1 1 269.291 2.775 20 0 CFADMM CC[C@H]1CCN([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000829126394 601498004 /nfs/dbraw/zinc/49/80/04/601498004.db2.gz YHYTVFZALANYBY-RYUDHWBXSA-N -1 1 292.379 2.633 20 0 CFADMM C[C@H]1CN(Cc2csc(C3CCCC3)n2)C[C@H]1C(=O)[O-] ZINC000828465324 601514981 /nfs/dbraw/zinc/51/49/81/601514981.db2.gz WZJKNHNWFDEFLF-GXFFZTMASA-N -1 1 294.420 2.953 20 0 CFADMM Cc1ccc(SCCN2CC[C@](F)(C(=O)[O-])C2)cc1C ZINC000832958299 601550953 /nfs/dbraw/zinc/55/09/53/601550953.db2.gz YYXMWOQWUZOHLG-OAHLLOKOSA-N -1 1 297.395 2.894 20 0 CFADMM Cc1nc(C(C)(C)NCc2c[nH]c(C(=O)[O-])c2)sc1C ZINC000832994758 601834491 /nfs/dbraw/zinc/83/44/91/601834491.db2.gz ZODYPLIWTKQFHT-UHFFFAOYSA-N -1 1 293.392 2.811 20 0 CFADMM C[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000832840203 601835377 /nfs/dbraw/zinc/83/53/77/601835377.db2.gz PDUITVARQWFJFK-QMMMGPOBSA-N -1 1 280.274 2.842 20 0 CFADMM Cc1c(C(=O)[O-])sc2nc(C)nc(NC3CC=CC3)c12 ZINC000833003020 601864450 /nfs/dbraw/zinc/86/44/50/601864450.db2.gz KVGZTVQCHOUWPF-UHFFFAOYSA-N -1 1 289.360 2.559 20 0 CFADMM Cc1nc(CN2CCC([C@@H](C)NC(=O)[O-])CC2)sc1C ZINC000830747109 603526918 /nfs/dbraw/zinc/52/69/18/603526918.db2.gz ZWYBOKNVKLHLFV-SNVBAGLBSA-N -1 1 297.424 2.628 20 0 CFADMM O=C([O-])NC[C@H]1CCCN1Cc1ccccc1Cl ZINC000832573503 604083301 /nfs/dbraw/zinc/08/33/01/604083301.db2.gz PDDOKGQQGTVLMW-LLVKDONJSA-N -1 1 268.744 2.572 20 0 CFADMM C[C@@H](N[C@@H]1CCN(C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000825478114 604318971 /nfs/dbraw/zinc/31/89/71/604318971.db2.gz DOOIJUFUBNSYAV-NXEZZACHSA-N -1 1 291.376 2.699 20 0 CFADMM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cccnc1Cl ZINC000825478176 604327296 /nfs/dbraw/zinc/32/72/96/604327296.db2.gz FLDLRCOCKPELPC-NXEZZACHSA-N -1 1 283.759 2.528 20 0 CFADMM COc1cccc(F)c1[C@H](C)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000829565690 604327884 /nfs/dbraw/zinc/32/78/84/604327884.db2.gz WTZPFLPEMAIAMU-QWRGUYRKSA-N -1 1 296.342 2.627 20 0 CFADMM COc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000090339619 604332062 /nfs/dbraw/zinc/33/20/62/604332062.db2.gz MXVPWDUMKJAKMX-SNVBAGLBSA-N -1 1 275.304 2.837 20 0 CFADMM O=C([O-])NCCN1CCCC[C@H]1c1ccc(F)cc1 ZINC000832641980 604371010 /nfs/dbraw/zinc/37/10/10/604371010.db2.gz QVVROOZBRFXZQN-ZDUSSCGKSA-N -1 1 266.316 2.620 20 0 CFADMM CC[C@@](C)(CC(=O)[O-])NCc1noc(-c2ccsc2)n1 ZINC000828671197 604374856 /nfs/dbraw/zinc/37/48/56/604374856.db2.gz BEMXMZUUAIJRHT-ZDUSSCGKSA-N -1 1 295.364 2.531 20 0 CFADMM Cc1cccc(C)c1CN(C)[C@@H](COC(C)C)C(=O)[O-] ZINC000832964187 604399811 /nfs/dbraw/zinc/39/98/11/604399811.db2.gz GIPQEPUEORSIAK-HNNXBMFYSA-N -1 1 279.380 2.613 20 0 CFADMM Cc1nc(CN2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)sc1C ZINC000830746864 604425685 /nfs/dbraw/zinc/42/56/85/604425685.db2.gz UODWVOIGJHELQZ-ZYHUDNBSSA-N -1 1 297.424 2.628 20 0 CFADMM CN(C/C(Cl)=C\Cl)C1(C(=O)[O-])CCCC1 ZINC000309105690 604455846 /nfs/dbraw/zinc/45/58/46/604455846.db2.gz LXHYCCWNKSCVNT-SOFGYWHQSA-N -1 1 252.141 2.635 20 0 CFADMM O=C([O-])C[C@H]1CCCN1c1ccnc2cc(F)ccc21 ZINC000833211093 604472261 /nfs/dbraw/zinc/47/22/61/604472261.db2.gz BIVMVFLCUXSHOP-LLVKDONJSA-N -1 1 274.295 2.817 20 0 CFADMM CCc1ccc(CNC[C@H](NC(=O)[O-])c2ccccc2)o1 ZINC000827585081 604516637 /nfs/dbraw/zinc/51/66/37/604516637.db2.gz ZIZQAXLIHVEHTP-HNNXBMFYSA-N -1 1 288.347 2.941 20 0 CFADMM O=C([O-])[C@H]1CCCN1Cc1cc(C(F)(F)F)ccc1F ZINC000263430424 604528657 /nfs/dbraw/zinc/52/86/57/604528657.db2.gz RWUWXUNDHNTNAI-LLVKDONJSA-N -1 1 291.244 2.894 20 0 CFADMM C[C@H]1CN(Cc2cccc(Cl)c2F)C[C@@H]1C(=O)[O-] ZINC000167040094 604670342 /nfs/dbraw/zinc/67/03/42/604670342.db2.gz GOXFOTCYWVPOAU-WPRPVWTQSA-N -1 1 271.719 2.632 20 0 CFADMM C[C@](NCc1cc2ccccc2o1)(C(=O)[O-])C1CC1 ZINC000827741247 604671847 /nfs/dbraw/zinc/67/18/47/604671847.db2.gz JITWVHBLUVQEBJ-OAHLLOKOSA-N -1 1 259.305 2.776 20 0 CFADMM Cc1cc(CN(C)CCOC(C)(C)C)oc1C(=O)[O-] ZINC000689997500 604678963 /nfs/dbraw/zinc/67/89/63/604678963.db2.gz DULAJNAQDNBYCD-UHFFFAOYSA-N -1 1 269.341 2.533 20 0 CFADMM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](C(F)(F)F)C1 ZINC000833678420 604930234 /nfs/dbraw/zinc/93/02/34/604930234.db2.gz MEBQGYIXYZWYLH-VIFPVBQESA-N -1 1 291.269 2.924 20 0 CFADMM C[C@@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccoc1 ZINC000825502147 604941647 /nfs/dbraw/zinc/94/16/47/604941647.db2.gz HGUUUZCHCZZAQA-GFCCVEGCSA-N -1 1 288.347 2.941 20 0 CFADMM C[C@@H](c1ccccc1Cl)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833548569 604984174 /nfs/dbraw/zinc/98/41/74/604984174.db2.gz FRZAHLMHCUNBPU-HZMBPMFUSA-N -1 1 297.782 2.559 20 0 CFADMM O=C([O-])[C@H](CC1CCCCC1)NCc1ccco1 ZINC000901771486 620911490 /nfs/dbraw/zinc/91/14/90/620911490.db2.gz FXPADTJQTLJIJW-ZDUSSCGKSA-N -1 1 251.326 2.793 20 0 CFADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](C(F)(F)F)C1 ZINC000388284180 605054348 /nfs/dbraw/zinc/05/43/48/605054348.db2.gz SEMNFBSVHCISHF-JGVFFNPUSA-N -1 1 277.242 2.923 20 0 CFADMM C/C(=C\CN[C@H](C)c1cc(F)ccc1F)C(=O)[O-] ZINC000833381455 605065930 /nfs/dbraw/zinc/06/59/30/605065930.db2.gz CAUYXMDIUNMAMT-WHXYTISESA-N -1 1 255.264 2.646 20 0 CFADMM C/C(=C/CN[C@@H](C)c1cc(F)ccc1F)C(=O)[O-] ZINC000833381454 605066212 /nfs/dbraw/zinc/06/62/12/605066212.db2.gz CAUYXMDIUNMAMT-RDOCRHDPSA-N -1 1 255.264 2.646 20 0 CFADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C/C(Cl)=C\Cl)C[C@@H]21 ZINC000834189561 605433588 /nfs/dbraw/zinc/43/35/88/605433588.db2.gz UWOJVOBYMVLDGD-UFGTWUAFSA-N -1 1 293.194 2.674 20 0 CFADMM O=C([O-])N[C@@H]1CCCN(Cc2cc3cc(F)ccc3o2)C1 ZINC000834185373 605486751 /nfs/dbraw/zinc/48/67/51/605486751.db2.gz YMRICQSYKWDVRO-GFCCVEGCSA-N -1 1 292.310 2.804 20 0 CFADMM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1ccccn1 ZINC000834263656 605565748 /nfs/dbraw/zinc/56/57/48/605565748.db2.gz VKWMGEJTBXWGHP-HNNXBMFYSA-N -1 1 283.331 2.949 20 0 CFADMM O=C([O-])NC[C@H]1CCCN1Cc1cnc(C2CCC2)s1 ZINC000834219466 605617199 /nfs/dbraw/zinc/61/71/99/605617199.db2.gz GYESAJPRQSUTSF-LLVKDONJSA-N -1 1 295.408 2.643 20 0 CFADMM C[C@@H](CN(Cc1cc(F)c(F)cc1F)C1CC1)C(=O)[O-] ZINC000833516536 605750874 /nfs/dbraw/zinc/75/08/74/605750874.db2.gz ODLRPOVDYUGBSS-QMMMGPOBSA-N -1 1 287.281 2.789 20 0 CFADMM Cc1cncc(CN[C@@H]2C[C@H](NC(=O)[O-])c3ccccc32)c1 ZINC000833913118 605806943 /nfs/dbraw/zinc/80/69/43/605806943.db2.gz YNAGWSNJMJAOPV-CVEARBPZSA-N -1 1 297.358 2.933 20 0 CFADMM Cc1ccnc(NCCC2CCN(C(=O)[O-])CC2)c1 ZINC000830611959 605839572 /nfs/dbraw/zinc/83/95/72/605839572.db2.gz RHSCQESNNLIMJR-UHFFFAOYSA-N -1 1 263.341 2.582 20 0 CFADMM Cc1cccc(NCCC2CCN(C(=O)[O-])CC2)n1 ZINC000830523008 605839687 /nfs/dbraw/zinc/83/96/87/605839687.db2.gz WKJFREBKOVXSTL-UHFFFAOYSA-N -1 1 263.341 2.582 20 0 CFADMM O=C([O-])N1CC[C@@H](N[C@H](c2ccccc2)c2ccccn2)C1 ZINC000834082218 605998646 /nfs/dbraw/zinc/99/86/46/605998646.db2.gz GQSQUGCWXRXBBL-GDBMZVCRSA-N -1 1 297.358 2.513 20 0 CFADMM Cc1nc(C(C)C)sc1[C@H](C)N(C)CCNC(=O)[O-] ZINC000833913189 606094976 /nfs/dbraw/zinc/09/49/76/606094976.db2.gz UVEAYYGXFUYIGL-JTQLQIEISA-N -1 1 285.413 2.835 20 0 CFADMM CC[C@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000820989493 606727114 /nfs/dbraw/zinc/72/71/14/606727114.db2.gz ULZPXFLMRVYEDI-NSHDSACASA-N -1 1 294.362 2.651 20 0 CFADMM CC[C@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000820989493 606727116 /nfs/dbraw/zinc/72/71/16/606727116.db2.gz ULZPXFLMRVYEDI-NSHDSACASA-N -1 1 294.362 2.651 20 0 CFADMM CC[C@@H]1CCC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820979133 606807286 /nfs/dbraw/zinc/80/72/86/606807286.db2.gz FOTLLJFNQGDBFV-PSASIEDQSA-N -1 1 292.774 2.906 20 0 CFADMM CC[C@@H]1CCC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820979133 606807287 /nfs/dbraw/zinc/80/72/87/606807287.db2.gz FOTLLJFNQGDBFV-PSASIEDQSA-N -1 1 292.774 2.906 20 0 CFADMM CCCC[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821040841 606926329 /nfs/dbraw/zinc/92/63/29/606926329.db2.gz SYKADSHOGWKSOV-MRVPVSSYSA-N -1 1 280.353 2.664 20 0 CFADMM CCCC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821040841 606926331 /nfs/dbraw/zinc/92/63/31/606926331.db2.gz SYKADSHOGWKSOV-MRVPVSSYSA-N -1 1 280.353 2.664 20 0 CFADMM CCC[C@@H](C)[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000821016628 607129577 /nfs/dbraw/zinc/12/95/77/607129577.db2.gz YCRZLHVSADBNIC-DGCLKSJQSA-N -1 1 286.383 2.667 20 0 CFADMM CCC[C@@H](C)[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000821016628 607129579 /nfs/dbraw/zinc/12/95/79/607129579.db2.gz YCRZLHVSADBNIC-DGCLKSJQSA-N -1 1 286.383 2.667 20 0 CFADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)c2ccccc21 ZINC000825000409 607896276 /nfs/dbraw/zinc/89/62/76/607896276.db2.gz PUMMOZHCSSROBA-SNVBAGLBSA-N -1 1 278.319 2.517 20 0 CFADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)c2ccccc21 ZINC000825000409 607896277 /nfs/dbraw/zinc/89/62/77/607896277.db2.gz PUMMOZHCSSROBA-SNVBAGLBSA-N -1 1 278.319 2.517 20 0 CFADMM C[C@@H]1CC[C@@H](C)N1c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000824907589 608123569 /nfs/dbraw/zinc/12/35/69/608123569.db2.gz JHWGZPFOSYCAOW-GHMZBOCLSA-N -1 1 294.362 2.792 20 0 CFADMM C[C@@H]1CC[C@@H](C)N1c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000824907589 608123570 /nfs/dbraw/zinc/12/35/70/608123570.db2.gz JHWGZPFOSYCAOW-GHMZBOCLSA-N -1 1 294.362 2.792 20 0 CFADMM C[C@H](N(C)c1snc(Cl)c1-c1nnn[n-]1)C1(C)CC1 ZINC000824466833 608123693 /nfs/dbraw/zinc/12/36/93/608123693.db2.gz ZFSOZKLRRQPZFZ-LURJTMIESA-N -1 1 298.803 2.601 20 0 CFADMM C[C@H](N(C)c1snc(Cl)c1-c1nn[n-]n1)C1(C)CC1 ZINC000824466833 608123694 /nfs/dbraw/zinc/12/36/94/608123694.db2.gz ZFSOZKLRRQPZFZ-LURJTMIESA-N -1 1 298.803 2.601 20 0 CFADMM C[C@@H]1CCCCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824936417 608183828 /nfs/dbraw/zinc/18/38/28/608183828.db2.gz HBOFYTLFGFEKKR-SSDOTTSWSA-N -1 1 298.803 2.746 20 0 CFADMM C[C@@H]1CCCCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824936417 608183829 /nfs/dbraw/zinc/18/38/29/608183829.db2.gz HBOFYTLFGFEKKR-SSDOTTSWSA-N -1 1 298.803 2.746 20 0 CFADMM CCCCc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825296426 608388356 /nfs/dbraw/zinc/38/83/56/608388356.db2.gz ILXLELOYQSUSFL-UHFFFAOYSA-N -1 1 295.350 2.743 20 0 CFADMM CCCCc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825296426 608388358 /nfs/dbraw/zinc/38/83/58/608388358.db2.gz ILXLELOYQSUSFL-UHFFFAOYSA-N -1 1 295.350 2.743 20 0 CFADMM Clc1ccc(NCc2ccc(-c3nn[n-]n3)s2)nc1 ZINC000826352653 609264749 /nfs/dbraw/zinc/26/47/49/609264749.db2.gz JDAWVCCMJHPSBT-UHFFFAOYSA-N -1 1 292.755 2.589 20 0 CFADMM CC[C@H]1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000901010099 620741248 /nfs/dbraw/zinc/74/12/48/620741248.db2.gz QACHIRFDMIAXRC-JTQLQIEISA-N -1 1 288.322 2.952 20 0 CFADMM C[C@@]1(C2CC2)COCCN1C(=O)c1c([O-])cccc1Cl ZINC000890589224 617680760 /nfs/dbraw/zinc/68/07/60/617680760.db2.gz SONMNHUKLCGYQE-HNNXBMFYSA-N -1 1 295.766 2.687 20 0 CFADMM O=C(NC[C@@H](O)c1ccco1)c1cc2ccccc2cc1[O-] ZINC000121486263 617684108 /nfs/dbraw/zinc/68/41/08/617684108.db2.gz OVJGZWVXKSVPOU-OAHLLOKOSA-N -1 1 297.310 2.602 20 0 CFADMM O=S(=O)([N-]c1ccccn1)C1=Cc2ccccc2CC1 ZINC000120389185 617687219 /nfs/dbraw/zinc/68/72/19/617687219.db2.gz XQUMICPDSVUZEX-UHFFFAOYSA-N -1 1 286.356 2.811 20 0 CFADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)C12CCC(CC1)C2 ZINC000891619155 617688133 /nfs/dbraw/zinc/68/81/33/617688133.db2.gz WBNSIWYGICAEER-UHFFFAOYSA-N -1 1 287.363 2.580 20 0 CFADMM COCc1nc(N[C@@H](c2ccccc2)C2CC2)cc(=O)[n-]1 ZINC000891649509 617696997 /nfs/dbraw/zinc/69/69/97/617696997.db2.gz UYNYTKIPFBVYKS-INIZCTEOSA-N -1 1 285.347 2.892 20 0 CFADMM COCc1nc(N2CCC(c3ccccc3)CC2)cc(=O)[n-]1 ZINC000891683568 617709152 /nfs/dbraw/zinc/70/91/52/617709152.db2.gz WDRQESBJFUPSAQ-UHFFFAOYSA-N -1 1 299.374 2.713 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CC=CC[C@H]1C ZINC000890768320 617858952 /nfs/dbraw/zinc/85/89/52/617858952.db2.gz DVDBPMWFAGCEGE-ZYHUDNBSSA-N -1 1 289.379 2.699 20 0 CFADMM CCC/C=C\[C@@H](O)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000901163561 620759801 /nfs/dbraw/zinc/75/98/01/620759801.db2.gz VVPJQOSBEWTJQG-QMAVJUDZSA-N -1 1 269.728 2.701 20 0 CFADMM O=C(N[C@@H](c1ccncc1)C1CC1)c1ccc([O-])c(F)c1 ZINC000890907835 617942962 /nfs/dbraw/zinc/94/29/62/617942962.db2.gz GSRVKABFBJAGCQ-OAHLLOKOSA-N -1 1 286.306 2.807 20 0 CFADMM C[C@@H]([N-]C(=O)C(F)(F)Cc1ccccc1)C(F)(F)F ZINC000807895541 617979209 /nfs/dbraw/zinc/97/92/09/617979209.db2.gz IFSYHCXVCVBIFL-MRVPVSSYSA-N -1 1 281.224 2.931 20 0 CFADMM CCn1c(CCNC(=O)C[C@@H](C)CC(C)C)n[n-]c1=S ZINC000067076501 618022583 /nfs/dbraw/zinc/02/25/83/618022583.db2.gz UURHHWVIEWWZKE-NSHDSACASA-N -1 1 298.456 2.692 20 0 CFADMM CCOCc1ccccc1CNCc1cc(C(=O)[O-])co1 ZINC000228166789 618209092 /nfs/dbraw/zinc/20/90/92/618209092.db2.gz HQVFXEURZSFLOD-UHFFFAOYSA-N -1 1 289.331 2.804 20 0 CFADMM O=C([O-])C1CN(CCCc2c(Cl)cccc2Cl)C1 ZINC000263498283 618223834 /nfs/dbraw/zinc/22/38/34/618223834.db2.gz KEDKWVABTPYEBR-UHFFFAOYSA-N -1 1 288.174 2.942 20 0 CFADMM 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WRVWJJAAYRRHLR-GWCFXTLKSA-N -1 1 290.388 2.981 20 0 CFADMM CC(C)[C@@H](NCc1cc(C(=O)[O-])no1)c1ccccc1 ZINC000902081915 620970324 /nfs/dbraw/zinc/97/03/24/620970324.db2.gz PEBGEQLFQMVYSS-CQSZACIVSA-N -1 1 274.320 2.860 20 0 CFADMM Cc1ccc(CNCc2ccc(O[C@H](C)C(=O)[O-])cc2)o1 ZINC000902095027 620977784 /nfs/dbraw/zinc/97/77/84/620977784.db2.gz NHMYZGMZJUDVLR-GFCCVEGCSA-N -1 1 289.331 2.730 20 0 CFADMM O=C([O-])/C=C/c1ccc(CNCCOC2CCCCC2)o1 ZINC000902165350 620991461 /nfs/dbraw/zinc/99/14/61/620991461.db2.gz GYMMKYLAAITHRY-CMDGGOBGSA-N -1 1 293.363 2.816 20 0 CFADMM O=C([O-])/C=C\c1ccc(CNCCOC2CCCCC2)o1 ZINC000902165352 620991846 /nfs/dbraw/zinc/99/18/46/620991846.db2.gz GYMMKYLAAITHRY-HJWRWDBZSA-N -1 1 293.363 2.816 20 0 CFADMM Cc1noc([C@H](C)N[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)n1 ZINC000902200764 620997073 /nfs/dbraw/zinc/99/70/73/620997073.db2.gz PLQLJSVAAXDPMK-WCFLWFBJSA-N -1 1 295.383 2.842 20 0 CFADMM CC[C@H](NCc1cc(C(=O)[O-])no1)c1ccc(C)cc1 ZINC000902214899 620997769 /nfs/dbraw/zinc/99/77/69/620997769.db2.gz VAYSYHDNWXOAAH-ZDUSSCGKSA-N -1 1 274.320 2.922 20 0 CFADMM O=C([O-])c1coc(CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000902235658 621003693 /nfs/dbraw/zinc/00/36/93/621003693.db2.gz MGKPJMMQLCIRKS-AWEZNQCLSA-N -1 1 275.279 2.894 20 0 CFADMM Cc1cccc([C@H](C)NCc2cc(C(=O)[O-])no2)c1C ZINC000902271618 621019894 /nfs/dbraw/zinc/01/98/94/621019894.db2.gz TWTCBXZVXRNFDS-NSHDSACASA-N -1 1 274.320 2.840 20 0 CFADMM O=C([O-])c1occc1CNC1(c2cccc(F)c2)CC1 ZINC000902296860 621024718 /nfs/dbraw/zinc/02/47/18/621024718.db2.gz VXXQRPDEQALUIR-UHFFFAOYSA-N -1 1 275.279 2.896 20 0 CFADMM COc1cc(C)cc(CNCc2cc(C(=O)[O-])co2)c1 ZINC000902299497 621025676 /nfs/dbraw/zinc/02/56/76/621025676.db2.gz ZSJWUPAZUGQDMG-UHFFFAOYSA-N -1 1 275.304 2.585 20 0 CFADMM CCOc1cc(C)ccc1CNCc1ccoc1C(=O)[O-] ZINC000902346887 621034019 /nfs/dbraw/zinc/03/40/19/621034019.db2.gz ZYJHSMNKWWIIDJ-UHFFFAOYSA-N -1 1 289.331 2.975 20 0 CFADMM CCc1ccc(C(C)(C)NCc2cc(C(=O)[O-])no2)cc1 ZINC000902330239 621038342 /nfs/dbraw/zinc/03/83/42/621038342.db2.gz GUFROGWGFYHPAY-UHFFFAOYSA-N -1 1 288.347 2.960 20 0 CFADMM CCc1oc(CN2CC[C@@H](C)O[C@@H](C)C2)cc1C(=O)[O-] ZINC000902477927 621087934 /nfs/dbraw/zinc/08/79/34/621087934.db2.gz UKWSVMCSHDWPGB-MNOVXSKESA-N -1 1 281.352 2.540 20 0 CFADMM O=C([O-])c1ccc(CN2CC(Cc3ccsc3)C2)o1 ZINC000902466691 621099274 /nfs/dbraw/zinc/09/92/74/621099274.db2.gz RTBFQKSQNGBIDD-UHFFFAOYSA-N -1 1 277.345 2.714 20 0 CFADMM C[C@@H]1C[C@H](NC(=O)c2cc(F)ccc2[O-])CCS1 ZINC000834661557 625766149 /nfs/dbraw/zinc/76/61/49/625766149.db2.gz RQEIREXFZAACID-PSASIEDQSA-N -1 1 269.341 2.545 20 0 CFADMM C[C@H]1CCC[C@H](CCN2C[C@@H](F)C[C@H]2C(=O)[O-])C1 ZINC000903614847 621405542 /nfs/dbraw/zinc/40/55/42/621405542.db2.gz KEPPOGBYYGJJMV-RNJOBUHISA-N -1 1 257.349 2.700 20 0 CFADMM C[C@H](c1nc(-c2ccc([O-])cc2F)no1)[C@H]1CCCO1 ZINC000903669498 621413532 /nfs/dbraw/zinc/41/35/32/621413532.db2.gz DQQYHLJGKHFDTD-QPUJVOFHSA-N -1 1 278.283 2.864 20 0 CFADMM CCc1noc(C)c1CNCc1ccc(C(=O)[O-])s1 ZINC000903690426 621416587 /nfs/dbraw/zinc/41/65/87/621416587.db2.gz YDXMRJINXFDPNP-UHFFFAOYSA-N -1 1 280.349 2.595 20 0 CFADMM C[C@@H]1CCCN1Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903890751 621460585 /nfs/dbraw/zinc/46/05/85/621460585.db2.gz DEWANYKMTIHEPI-SSDOTTSWSA-N -1 1 277.242 2.981 20 0 CFADMM Cc1cc(C)nc(CN(C)[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000903902007 621468270 /nfs/dbraw/zinc/46/82/70/621468270.db2.gz SMUWSWMPLGWRHE-AWEZNQCLSA-N -1 1 264.369 2.630 20 0 CFADMM CC/C=C/CC[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903921423 621473501 /nfs/dbraw/zinc/47/35/01/621473501.db2.gz MRIMJVZXMPIIGG-ONEGZZNKSA-N -1 1 275.348 2.936 20 0 CFADMM O=C([O-])c1ccc2c(c1)OCCN([C@@H]1C=CCCC1)C2 ZINC000903957450 621478506 /nfs/dbraw/zinc/47/85/06/621478506.db2.gz POUXSQMQSUESJM-CQSZACIVSA-N -1 1 273.332 2.688 20 0 CFADMM CC(C)CCOc1ccc(CNC[C@H](F)C(=O)[O-])cc1 ZINC000904043050 621510662 /nfs/dbraw/zinc/51/06/62/621510662.db2.gz ORBGFPIJKFTICB-AWEZNQCLSA-N -1 1 283.343 2.624 20 0 CFADMM Cc1cccc([C@H](CC(=O)[O-])NCc2ccoc2)c1 ZINC000904045105 621511336 /nfs/dbraw/zinc/51/13/36/621511336.db2.gz GVALAVKODMCLRK-AWEZNQCLSA-N -1 1 259.305 2.894 20 0 CFADMM CC[C@H](NCc1sccc1C)c1nc(C(=O)[O-])c[nH]1 ZINC000904063848 621514095 /nfs/dbraw/zinc/51/40/95/621514095.db2.gz DCWHFSDXHXEEFJ-VIFPVBQESA-N -1 1 279.365 2.719 20 0 CFADMM O=C([O-])N[C@@H]1C[C@@H](Nc2cc3c(cn2)CCC3)C12CCC2 ZINC000904242355 621558724 /nfs/dbraw/zinc/55/87/24/621558724.db2.gz KMEXRAVACJAIJC-CHWSQXEVSA-N -1 1 287.363 2.561 20 0 CFADMM CCOc1cccc(CNCc2ccc(C(=O)[O-])o2)c1 ZINC000071396012 625511748 /nfs/dbraw/zinc/51/17/48/625511748.db2.gz NEXDNAYZBNDKJF-UHFFFAOYSA-N -1 1 275.304 2.666 20 0 CFADMM Cc1cccc2c1CCN(Cc1ccc(C(=O)[O-])cn1)C2 ZINC000905724932 621834020 /nfs/dbraw/zinc/83/40/20/621834020.db2.gz PUCXRROOKXPFDO-UHFFFAOYSA-N -1 1 282.343 2.647 20 0 CFADMM C[C@H]1Cc2cc(CNCc3ccoc3C(=O)[O-])ccc2O1 ZINC000905730138 621837713 /nfs/dbraw/zinc/83/77/13/621837713.db2.gz NTBRSZHKSTVPPY-JTQLQIEISA-N -1 1 287.315 2.591 20 0 CFADMM Cc1cc(CN[C@H](c2cnn(C)c2)C(C)C)oc1C(=O)[O-] ZINC000905752020 621843522 /nfs/dbraw/zinc/84/35/22/621843522.db2.gz QBFKSBJBHSZPHV-ZDUSSCGKSA-N -1 1 291.351 2.507 20 0 CFADMM CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000907092857 622086474 /nfs/dbraw/zinc/08/64/74/622086474.db2.gz NLHKQMNSXLLCTC-CQFDHEJISA-N -1 1 269.728 2.655 20 0 CFADMM CC(F)(F)C[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC000907210451 622096336 /nfs/dbraw/zinc/09/63/36/622096336.db2.gz RGRXBNXXOLXKDN-UHFFFAOYSA-N -1 1 291.344 2.835 20 0 CFADMM CC(C)(C)[C@H]1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000907345365 622112795 /nfs/dbraw/zinc/11/27/95/622112795.db2.gz LSYPMLUJEIUYJT-NSHDSACASA-N -1 1 289.379 2.568 20 0 CFADMM CCN(C(=O)c1cnc(C2CC2)[n-]c1=O)[C@@H](C)C(C)C ZINC000908274509 622210903 /nfs/dbraw/zinc/21/09/03/622210903.db2.gz SSWGXXBERQFBSV-JTQLQIEISA-N -1 1 277.368 2.566 20 0 CFADMM O=C(Nc1cccc([O-])c1Br)C1=COCCC1 ZINC000908717136 622268113 /nfs/dbraw/zinc/26/81/13/622268113.db2.gz VYRCOLBXDJXCSQ-UHFFFAOYSA-N -1 1 298.136 2.788 20 0 CFADMM CCO[C@@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908715160 622268149 /nfs/dbraw/zinc/26/81/49/622268149.db2.gz OUIVEMUDMDBAES-ZETCQYMHSA-N -1 1 288.141 2.518 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)c1noc2c1CCCC2 ZINC000909973775 622378525 /nfs/dbraw/zinc/37/85/25/622378525.db2.gz BLYPRMMEXFFLGT-UHFFFAOYSA-N -1 1 294.257 2.790 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)C1(F)CCCC1 ZINC000909985992 622379673 /nfs/dbraw/zinc/37/96/73/622379673.db2.gz WCAQVOXGFBVTFX-UHFFFAOYSA-N -1 1 259.227 2.891 20 0 CFADMM COC[C@@H](C)[C@@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987109 622380166 /nfs/dbraw/zinc/38/01/66/622380166.db2.gz ICFPXKOOQANLEV-HTQZYQBOSA-N -1 1 273.279 2.528 20 0 CFADMM CC(C)[C@H]1OCC[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909986899 622380180 /nfs/dbraw/zinc/38/01/80/622380180.db2.gz XESHDJUGAOGHQB-AMIZOPFISA-N -1 1 285.290 2.670 20 0 CFADMM CCOC1CC(CC(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909986839 622380675 /nfs/dbraw/zinc/38/06/75/622380675.db2.gz UNFTYHPLEAFSFI-UHFFFAOYSA-N -1 1 285.290 2.814 20 0 CFADMM C[C@@H]1C[C@H](C(=O)Nc2cc([O-])c(F)cc2F)CCC1=O ZINC000909984052 622381332 /nfs/dbraw/zinc/38/13/32/622381332.db2.gz ICJHXBHOXVLQEV-HTQZYQBOSA-N -1 1 283.274 2.614 20 0 CFADMM O=C(CCC1CCOCC1)Nc1cc([O-])c(F)cc1F ZINC000909983464 622381448 /nfs/dbraw/zinc/38/14/48/622381448.db2.gz XHIVWRNZWPOHOI-UHFFFAOYSA-N -1 1 285.290 2.816 20 0 CFADMM CCC[C@H](OCC)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909989080 622381972 /nfs/dbraw/zinc/38/19/72/622381972.db2.gz RTABOKMPPKLFGD-LBPRGKRZSA-N -1 1 273.279 2.814 20 0 CFADMM CCC[C@@H](OCC)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909989079 622382115 /nfs/dbraw/zinc/38/21/15/622382115.db2.gz RTABOKMPPKLFGD-GFCCVEGCSA-N -1 1 273.279 2.814 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)C1SCCCS1 ZINC000909987962 622382198 /nfs/dbraw/zinc/38/21/98/622382198.db2.gz PGAGZNGQUMAPCA-UHFFFAOYSA-N -1 1 291.344 2.805 20 0 CFADMM O=C(Nc1cc([O-])c(F)cc1F)C1(C(F)F)CC1 ZINC000909988206 622382641 /nfs/dbraw/zinc/38/26/41/622382641.db2.gz ZWDBMSURFFBESF-UHFFFAOYSA-N -1 1 263.190 2.654 20 0 CFADMM CC[C@@H](SC)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910982580 622494623 /nfs/dbraw/zinc/49/46/23/622494623.db2.gz LZXISVWWSDUFCL-SECBINFHSA-N -1 1 261.293 2.751 20 0 CFADMM CC[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)[C@H]1CC1(C)C ZINC000910924619 622488134 /nfs/dbraw/zinc/48/81/34/622488134.db2.gz DABULSVDPNJNTQ-VXGBXAGGSA-N -1 1 289.379 2.614 20 0 CFADMM O=C(C[C@H]1CCCCO1)Nc1cc(F)cc(F)c1[O-] ZINC000910983507 622494647 /nfs/dbraw/zinc/49/46/47/622494647.db2.gz WXCOUWIDSKUYAO-SECBINFHSA-N -1 1 271.263 2.568 20 0 CFADMM CCCCO[C@@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910983996 622494700 /nfs/dbraw/zinc/49/47/00/622494700.db2.gz LQEMNVPDTSRPEZ-QMMMGPOBSA-N -1 1 273.279 2.814 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1[C@@H]2CCC[C@@H]21 ZINC000910983034 622494740 /nfs/dbraw/zinc/49/47/40/622494740.db2.gz RZFSVIGSAMNSOO-VROVMSAKSA-N -1 1 253.248 2.655 20 0 CFADMM C/C(=C\C(=O)Nc1cc(F)cc(F)c1[O-])C1CC1 ZINC000910984418 622495194 /nfs/dbraw/zinc/49/51/94/622495194.db2.gz OWJRPJUUMOXUFT-QPJJXVBHSA-N -1 1 253.248 2.965 20 0 CFADMM CC[C@H](C)[C@H](OC)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910986732 622495263 /nfs/dbraw/zinc/49/52/63/622495263.db2.gz ATUUNNIYGSLVFK-MADCSZMMSA-N -1 1 273.279 2.670 20 0 CFADMM CO[C@@H](CC(=O)Nc1cc(F)cc(F)c1[O-])C(F)(F)F ZINC000910986392 622495491 /nfs/dbraw/zinc/49/54/91/622495491.db2.gz LQUHWHRYLCLKJT-QMMMGPOBSA-N -1 1 299.195 2.576 20 0 CFADMM O=C(Nc1cc(F)cc(F)c1[O-])C1(C(F)F)CC1 ZINC000910986349 622495616 /nfs/dbraw/zinc/49/56/16/622495616.db2.gz KXMYCTFIQNRIRH-UHFFFAOYSA-N -1 1 263.190 2.654 20 0 CFADMM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984271 622495630 /nfs/dbraw/zinc/49/56/30/622495630.db2.gz VTLSWIRKVBPWPR-IUCAKERBSA-N -1 1 255.264 2.901 20 0 CFADMM CCCCC[C@@H](O)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910988416 622495831 /nfs/dbraw/zinc/49/58/31/622495831.db2.gz PLDJQUWNEQGIOK-LLVKDONJSA-N -1 1 273.279 2.550 20 0 CFADMM CC1(C)CO[C@@H](CC(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910990761 622496705 /nfs/dbraw/zinc/49/67/05/622496705.db2.gz KHZRVPHEZDCDTL-VIFPVBQESA-N -1 1 285.290 2.814 20 0 CFADMM CO[C@@H]1CCCC[C@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910990736 622497039 /nfs/dbraw/zinc/49/70/39/622497039.db2.gz ZYIIWLHNNOXYDU-BXKDBHETSA-N -1 1 285.290 2.814 20 0 CFADMM Cc1cc2[nH]ncc2cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000911371373 622519133 /nfs/dbraw/zinc/51/91/33/622519133.db2.gz MQNPTOGBOKETGU-UHFFFAOYSA-N -1 1 289.335 2.701 20 0 CFADMM CCc1cnccc1[C@@H](C)NCc1ccoc1C(=O)[O-] ZINC000833672924 625573531 /nfs/dbraw/zinc/57/35/31/625573531.db2.gz GKPZFTLZIYTGIX-SNVBAGLBSA-N -1 1 274.320 2.786 20 0 CFADMM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000911558221 622526888 /nfs/dbraw/zinc/52/68/88/622526888.db2.gz MCJNAAMDPGUFMR-LURJTMIESA-N -1 1 297.261 2.550 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000819683527 622544121 /nfs/dbraw/zinc/54/41/21/622544121.db2.gz PPOBRKIALZUBLK-GHMZBOCLSA-N -1 1 291.395 2.875 20 0 CFADMM CC[C@H](O)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000912129998 622640379 /nfs/dbraw/zinc/64/03/79/622640379.db2.gz MZXLRLSODRNQDY-STQMWFEESA-N -1 1 297.782 2.811 20 0 CFADMM COc1cccc(S([O-])=CC(=O)OCCC2CCC2)c1 ZINC000820577434 622706088 /nfs/dbraw/zinc/70/60/88/622706088.db2.gz FUGVLYBEZFSGMK-HXUWFJFHSA-N -1 1 296.388 2.536 20 0 CFADMM CC[C@@H]1CCC[C@H](C)N1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000912716464 622765716 /nfs/dbraw/zinc/76/57/16/622765716.db2.gz HNCVBSWDCPXSKV-CMPLNLGQSA-N -1 1 289.379 2.853 20 0 CFADMM COc1cccc(S([O-])=CC(=O)OCC2(C)CCC2)c1 ZINC000820864668 622776921 /nfs/dbraw/zinc/77/69/21/622776921.db2.gz DUDIKEKVNVONGJ-FQEVSTJZSA-N -1 1 296.388 2.536 20 0 CFADMM COc1cnc(C=Cc2ccccc2OC(F)F)[n-]c1=O ZINC000821007267 622818010 /nfs/dbraw/zinc/81/80/10/622818010.db2.gz GKTQUQGGSRIMJQ-VOTSOKGWSA-N -1 1 294.257 2.963 20 0 CFADMM COc1cnc(C=Cc2ccc(O)c(Cl)c2)[n-]c1=O ZINC000821007085 622818997 /nfs/dbraw/zinc/81/89/97/622818997.db2.gz BZUIURGHULCDGQ-HWKANZROSA-N -1 1 278.695 2.720 20 0 CFADMM COc1cnc(C=Cc2ccn(-c3ccccc3)n2)[n-]c1=O ZINC000821008387 622819003 /nfs/dbraw/zinc/81/90/03/622819003.db2.gz PJDHJIBSBFMECI-BQYQJAHWSA-N -1 1 294.314 2.547 20 0 CFADMM CCn1nc(C(=O)Nc2cccc(F)c2[O-])cc1C1CC1 ZINC000913159903 622840018 /nfs/dbraw/zinc/84/00/18/622840018.db2.gz ZERBZBLDBKJQSP-UHFFFAOYSA-N -1 1 289.310 2.877 20 0 CFADMM COc1cccc([O-])c1C(=O)Nc1cc(C(C)C)no1 ZINC000913491201 622906548 /nfs/dbraw/zinc/90/65/48/622906548.db2.gz VXFDKWRSLDAAGL-UHFFFAOYSA-N -1 1 276.292 2.765 20 0 CFADMM CCC(CC)C(=O)Nc1nc(Br)ccc1[O-] ZINC000156336839 622934013 /nfs/dbraw/zinc/93/40/13/622934013.db2.gz AGNJBDMIJNLBQC-UHFFFAOYSA-N -1 1 287.157 2.924 20 0 CFADMM CCc1ccc(CNCc2cc(C(=O)[O-])co2)s1 ZINC000224701946 623010619 /nfs/dbraw/zinc/01/06/19/623010619.db2.gz JDPQAOUUQGQJTA-UHFFFAOYSA-N -1 1 265.334 2.892 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)[C@]12CCO[C@@H]1CCCC2 ZINC000821981032 623015629 /nfs/dbraw/zinc/01/56/29/623015629.db2.gz WHAUVZYZZNFNRS-IAQYHMDHSA-N -1 1 297.301 2.958 20 0 CFADMM 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CC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1c(C)noc1C ZINC000757621388 626556584 /nfs/dbraw/zinc/55/65/84/626556584.db2.gz HTBMBGZRVYYQRL-ZETCQYMHSA-N -1 1 282.237 2.759 20 0 CFADMM CCC(=O)CCCOC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000759500651 626665555 /nfs/dbraw/zinc/66/55/55/626665555.db2.gz XNPSUCRYEAYJHF-UHFFFAOYSA-N -1 1 290.319 2.894 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CC23CCC3)c1 ZINC000759973478 626705779 /nfs/dbraw/zinc/70/57/79/626705779.db2.gz CGUVDSYUJJWJCK-AWEZNQCLSA-N -1 1 288.343 2.871 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CCOCC2(CCC2)C1 ZINC000760127062 626715219 /nfs/dbraw/zinc/71/52/19/626715219.db2.gz QXGWRSKIMZXHOK-UHFFFAOYSA-N -1 1 295.766 2.688 20 0 CFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(Cl)cs1 ZINC000760144727 626716111 /nfs/dbraw/zinc/71/61/11/626716111.db2.gz IKQLOHZEFJOJQQ-UHFFFAOYSA-N -1 1 296.661 2.791 20 0 CFADMM CCOC(=O)CC[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000761058376 626795239 /nfs/dbraw/zinc/79/52/39/626795239.db2.gz XFMQEBQQKJLYDR-VIFPVBQESA-N -1 1 299.754 2.507 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Cc1cccc(N(C)C(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC000773909815 627870164 /nfs/dbraw/zinc/87/01/64/627870164.db2.gz UWMRXGYVQJVCMD-UHFFFAOYSA-N -1 1 298.371 2.603 20 0 CFADMM Cc1noc(C2CC2)c1[N-]C(=O)c1cnc([C@@H](C)O)s1 ZINC000774089679 627886457 /nfs/dbraw/zinc/88/64/57/627886457.db2.gz OTTULMZRBATZIJ-SSDOTTSWSA-N -1 1 293.348 2.623 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCCC[C@@H](C)C1 ZINC000775167684 627997585 /nfs/dbraw/zinc/99/75/85/627997585.db2.gz APEPUORQBSIZPA-LLVKDONJSA-N -1 1 291.395 2.876 20 0 CFADMM CC(C)C[C@@H](CO)N(C)C(=O)c1c([O-])cccc1Cl ZINC000775211185 628000346 /nfs/dbraw/zinc/00/03/46/628000346.db2.gz OWMKGDQMOSCXDX-JTQLQIEISA-N -1 1 285.771 2.525 20 0 CFADMM CO[C@H]1CCC[C@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000775593957 628043955 /nfs/dbraw/zinc/04/39/55/628043955.db2.gz TYKKNYNHWMDXMF-CABZTGNLSA-N -1 1 283.755 2.591 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2[nH]nc(C3CC3)c2C)c(C)o1 ZINC000776302647 628128792 /nfs/dbraw/zinc/12/87/92/628128792.db2.gz AOYKVHUKWYUDLY-UHFFFAOYSA-N -1 1 295.364 2.606 20 0 CFADMM Cc1nc(SCOC(=O)c2ccccc2)[n-]c(=O)c1C ZINC000776867730 628183776 /nfs/dbraw/zinc/18/37/76/628183776.db2.gz LQACIAAMNFHSJQ-UHFFFAOYSA-N -1 1 290.344 2.706 20 0 CFADMM O=C(OCCc1cc(Cl)ccc1Cl)c1cn[n-]n1 ZINC000805603922 628293604 /nfs/dbraw/zinc/29/36/04/628293604.db2.gz XULVHZCNSZYXLZ-UHFFFAOYSA-N -1 1 286.118 2.511 20 0 CFADMM O=C(NOC1CCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000779316812 628372881 /nfs/dbraw/zinc/37/28/81/628372881.db2.gz IWNCHXMIDSSBTC-UHFFFAOYSA-N -1 1 286.331 2.522 20 0 CFADMM CC(C)CCn1nccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000779470197 628384735 /nfs/dbraw/zinc/38/47/35/628384735.db2.gz XNWQORZMPSJAJF-CYBMUJFWSA-N -1 1 296.371 2.509 20 0 CFADMM Cc1ccc(C(F)(F)C(=O)[N-]N2CCCCC2)cc1 ZINC000780673907 628486938 /nfs/dbraw/zinc/48/69/38/628486938.db2.gz GSXBGNIBSHJWPW-UHFFFAOYSA-N -1 1 268.307 2.604 20 0 CFADMM CC1=C(C(=O)Nc2ccc([O-])c(Cl)c2)C(=O)OC1(C)C ZINC000780991557 628511915 /nfs/dbraw/zinc/51/19/15/628511915.db2.gz CISUHAIVZUIIMJ-UHFFFAOYSA-N -1 1 295.722 2.636 20 0 CFADMM C[C@H](CC(=O)Nc1nc(Br)ccc1[O-])C1CC1 ZINC000783914408 628755638 /nfs/dbraw/zinc/75/56/38/628755638.db2.gz SFQCLBNGEDDHJM-SSDOTTSWSA-N -1 1 299.168 2.924 20 0 CFADMM CO[C@H]1Cc2ccc(NC(=O)c3ccccc3[O-])cc2C1 ZINC000784218682 628792371 /nfs/dbraw/zinc/79/23/71/628792371.db2.gz CYOXGBAHMFYHDQ-AWEZNQCLSA-N -1 1 283.327 2.758 20 0 CFADMM CN(C)c1ccc(COC(=O)c2ccc([O-])cc2F)cc1 ZINC000784517960 628823628 /nfs/dbraw/zinc/82/36/28/628823628.db2.gz PUNYQVIZJRRZLP-UHFFFAOYSA-N -1 1 289.306 2.954 20 0 CFADMM COc1cc(C(=O)N[C@H](C)c2ccc[nH]2)cc(Cl)c1[O-] ZINC000785419991 628881604 /nfs/dbraw/zinc/88/16/04/628881604.db2.gz SQQGSLJWUCYUCJ-MRVPVSSYSA-N -1 1 294.738 2.873 20 0 CFADMM CC(C)(NC(=O)c1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000786336521 628949031 /nfs/dbraw/zinc/94/90/31/628949031.db2.gz GSKDCQFANRVJMG-UHFFFAOYSA-N -1 1 297.782 2.981 20 0 CFADMM O=C(Nc1cccc(C2OCCO2)c1)c1ccccc1[O-] ZINC000788215491 629051107 /nfs/dbraw/zinc/05/11/07/629051107.db2.gz WCJQNZONQHMQSG-UHFFFAOYSA-N -1 1 285.299 2.690 20 0 CFADMM CC(C)=C(C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000790044089 629205014 /nfs/dbraw/zinc/20/50/14/629205014.db2.gz YCRWOFXLFYTVMZ-UHFFFAOYSA-N -1 1 285.141 2.845 20 0 CFADMM CC(C)c1nn(C)cc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790057030 629206220 /nfs/dbraw/zinc/20/62/20/629206220.db2.gz SFYAWHLZHNMDNE-UHFFFAOYSA-N -1 1 294.742 2.550 20 0 CFADMM CO[C@@]1(C)CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000792505544 629428593 /nfs/dbraw/zinc/42/85/93/629428593.db2.gz UQSOTRCDTZFIKA-AWEZNQCLSA-N -1 1 283.755 2.687 20 0 CFADMM CC[C@H](C(=O)[N-]OCCSC)c1ccccc1 ZINC000794188685 629618893 /nfs/dbraw/zinc/61/88/93/629618893.db2.gz TXGBXCNANCRWGJ-LBPRGKRZSA-N -1 1 253.367 2.591 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@@H](C)c2ccccc2F)[n-]1 ZINC000796347078 629907032 /nfs/dbraw/zinc/90/70/32/629907032.db2.gz XETRWDLZVHRVQN-VIFPVBQESA-N -1 1 291.278 2.858 20 0 CFADMM COC(=O)c1ccc(C(=O)OCc2ccc(F)cc2C)[n-]1 ZINC000796350944 629907840 /nfs/dbraw/zinc/90/78/40/629907840.db2.gz PUHBZSDCLMWPOO-UHFFFAOYSA-N -1 1 291.278 2.606 20 0 CFADMM COC(=O)c1ccc(C(=O)OC[C@H]2CC=CC[C@H]2C)[n-]1 ZINC000796799945 629969208 /nfs/dbraw/zinc/96/92/08/629969208.db2.gz DNCVLQHNJXHEQL-GHMZBOCLSA-N -1 1 277.320 2.560 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@H](C)CC(C)(C)C)[n-]1 ZINC000835704574 629970428 /nfs/dbraw/zinc/97/04/28/629970428.db2.gz PLOPGXBZQANOCX-SECBINFHSA-N -1 1 267.325 2.783 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@@H]2CC[C@H](C)[C@H](C)C2)[n-]1 ZINC000797096843 630016589 /nfs/dbraw/zinc/01/65/89/630016589.db2.gz IBUITRXLSCGKBA-HBNTYKKESA-N -1 1 279.336 2.783 20 0 CFADMM COC(=O)c1ccc(C(=O)OCC2(c3ccccc3)CC2)[n-]1 ZINC000797105353 630018000 /nfs/dbraw/zinc/01/80/00/630018000.db2.gz JSQRFNRDTGELGI-UHFFFAOYSA-N -1 1 299.326 2.690 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2[nH]ccc2C)c1 ZINC000797906037 630121945 /nfs/dbraw/zinc/12/19/45/630121945.db2.gz SSSAZZYTXKUOFN-UHFFFAOYSA-N -1 1 287.315 2.631 20 0 CFADMM CO[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)[C@@H](C)C1 ZINC000799760563 630342538 /nfs/dbraw/zinc/34/25/38/630342538.db2.gz KCHDHVCORWOAOU-VHSXEESVSA-N -1 1 283.755 2.685 20 0 CFADMM CCc1cc(=O)[n-]c(SCCSC(C)C)n1 ZINC000800837411 630409984 /nfs/dbraw/zinc/40/99/84/630409984.db2.gz WZQNFDCHWVFHAG-UHFFFAOYSA-N -1 1 258.412 2.978 20 0 CFADMM CC(C)COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801325257 630441688 /nfs/dbraw/zinc/44/16/88/630441688.db2.gz LFCOAAZLAIAUOY-UHFFFAOYSA-N -1 1 278.283 2.530 20 0 CFADMM Cc1ccc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)c(Cl)n1 ZINC000852730204 634817396 /nfs/dbraw/zinc/81/73/96/634817396.db2.gz PJQFKQMPWSVSCJ-CMPLNLGQSA-N -1 1 282.771 2.729 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1csc(Cl)n1 ZINC000807368107 630881462 /nfs/dbraw/zinc/88/14/62/630881462.db2.gz IFCPEPRLMKVAEI-UHFFFAOYSA-N -1 1 290.131 2.803 20 0 CFADMM CC(C)Cc1cccc([C@H](C)C(=O)[N-]OC(C)(C)CO)c1 ZINC000836806656 630887992 /nfs/dbraw/zinc/88/79/92/630887992.db2.gz RIEYSHCGRFCRDX-ZDUSSCGKSA-N -1 1 293.407 2.807 20 0 CFADMM CCC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836949269 630921395 /nfs/dbraw/zinc/92/13/95/630921395.db2.gz JFXFFCFNEGYEDV-UHFFFAOYSA-N -1 1 288.269 2.522 20 0 CFADMM CO[C@@H]([C@H](C)NC(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000837013260 630937933 /nfs/dbraw/zinc/93/79/33/630937933.db2.gz LWAUWDDCZVOSMP-SDBXPKJASA-N -1 1 283.755 2.589 20 0 CFADMM O=C(NCCC[C@H]1CCOC1)c1c([O-])cccc1Cl ZINC000837064354 630947888 /nfs/dbraw/zinc/94/78/88/630947888.db2.gz HCDJZYQDHMJNOQ-JTQLQIEISA-N -1 1 283.755 2.592 20 0 CFADMM O=C(NOCc1ccc(F)cc1)c1c(F)ccc([O-])c1F ZINC000809763728 631283796 /nfs/dbraw/zinc/28/37/96/631283796.db2.gz FDMGZECOOVPUSQ-UHFFFAOYSA-N -1 1 297.232 2.671 20 0 CFADMM CO[C@@H](COC(=O)c1c([O-])cc(F)cc1F)CC(C)C ZINC000842069957 631524278 /nfs/dbraw/zinc/52/42/78/631524278.db2.gz IJAGKUXPXYJDAS-SNVBAGLBSA-N -1 1 288.290 2.888 20 0 CFADMM CCC1(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000840259006 631734521 /nfs/dbraw/zinc/73/45/21/631734521.db2.gz NBHUSMLHZPEHGO-UHFFFAOYSA-N -1 1 288.299 2.732 20 0 CFADMM CCC1(C)CN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000812693026 631759382 /nfs/dbraw/zinc/75/93/82/631759382.db2.gz LDQKFRPEOTXMCU-UHFFFAOYSA-N -1 1 253.729 2.918 20 0 CFADMM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc2c(cn1)CCCC2 ZINC000813013694 631817224 /nfs/dbraw/zinc/81/72/24/631817224.db2.gz ADZHPQLSZYOHKW-CQSZACIVSA-N -1 1 291.351 2.540 20 0 CFADMM O=C([N-]O[C@@H]1CCCCO1)Nc1cc2c(cn1)CCCC2 ZINC000813013694 631817227 /nfs/dbraw/zinc/81/72/27/631817227.db2.gz ADZHPQLSZYOHKW-CQSZACIVSA-N -1 1 291.351 2.540 20 0 CFADMM OCC[C@H]([N-]c1nnc(C(F)F)o1)c1cccs1 ZINC000814362371 632056268 /nfs/dbraw/zinc/05/62/68/632056268.db2.gz AHVHNQFXEPRIIA-LURJTMIESA-N -1 1 275.280 2.604 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)C1(C(F)F)CC1 ZINC000843900405 632074982 /nfs/dbraw/zinc/07/49/82/632074982.db2.gz CHMOEHMHWGLLBI-UHFFFAOYSA-N -1 1 263.190 2.654 20 0 CFADMM CCSCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000814767539 632120220 /nfs/dbraw/zinc/12/02/20/632120220.db2.gz ZSXYOXKIDDJLOW-UHFFFAOYSA-N -1 1 252.311 2.923 20 0 CFADMM CC(F)(F)C[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC000815066018 632194226 /nfs/dbraw/zinc/19/42/26/632194226.db2.gz CCNVQNCSGBQDHQ-SREVYHEPSA-N -1 1 295.738 2.885 20 0 CFADMM CCC[C@@H](NC(=O)C=CC1CCCCCC1)c1nn[n-]n1 ZINC000845730590 632537688 /nfs/dbraw/zinc/53/76/88/632537688.db2.gz PAHNXHZIADSHSU-BSYHEUMXSA-N -1 1 291.399 2.684 20 0 CFADMM CCC[C@@H](NC(=O)/C=C\C1CCCCCC1)c1nn[n-]n1 ZINC000845730590 632537690 /nfs/dbraw/zinc/53/76/90/632537690.db2.gz PAHNXHZIADSHSU-BSYHEUMXSA-N -1 1 291.399 2.684 20 0 CFADMM COc1cccc([C@H](C)C(=O)[N-]OCCC2CC2)c1 ZINC000817387928 632619200 /nfs/dbraw/zinc/61/92/00/632619200.db2.gz JZPRGJKZKQKBRY-NSHDSACASA-N -1 1 263.337 2.647 20 0 CFADMM C/C(=C\CN1CC[C@H](c2c(F)cccc2F)C1)C(=O)[O-] ZINC000846253345 632674626 /nfs/dbraw/zinc/67/46/26/632674626.db2.gz HLYNZOYFFXRFDC-UAWPZABVSA-N -1 1 281.302 2.785 20 0 CFADMM COCCN(CCC(=O)[O-])Cc1c(C)cccc1Cl ZINC000846272245 632679819 /nfs/dbraw/zinc/67/98/19/632679819.db2.gz VHZFNZMMZJHMBM-UHFFFAOYSA-N -1 1 285.771 2.572 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H](O)CC12CCC2 ZINC000817676160 632683858 /nfs/dbraw/zinc/68/38/58/632683858.db2.gz AUJKLAYQLULVKJ-JTQLQIEISA-N -1 1 295.766 2.565 20 0 CFADMM CC(C)Cc1ccc(CN2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cc1 ZINC000846290305 632685250 /nfs/dbraw/zinc/68/52/50/632685250.db2.gz IXOCUWCQDMGNSO-CZUORRHYSA-N -1 1 291.391 2.559 20 0 CFADMM COc1ccc2c(c1)[C@@H](C(=O)[N-]OCC(C)C)CCC2 ZINC000847602708 633007646 /nfs/dbraw/zinc/00/76/46/633007646.db2.gz AQJWKLCQHFDAQW-AWEZNQCLSA-N -1 1 277.364 2.819 20 0 CFADMM O=C(/C=C\[C@@H]1CCCO1)Nc1ccc([O-])c(Cl)c1 ZINC000819411424 633152437 /nfs/dbraw/zinc/15/24/37/633152437.db2.gz MXZRPSSQGITOEE-OAQKJQOQSA-N -1 1 267.712 2.719 20 0 CFADMM O=C([N-]CCCOc1cccc2cccnc21)C(F)(F)F ZINC000109277418 633945447 /nfs/dbraw/zinc/94/54/47/633945447.db2.gz GIFRLFPADULGHN-UHFFFAOYSA-N -1 1 298.264 2.682 20 0 CFADMM CC(C)(C)c1nc(CN[C@H]2CC=C(C(=O)[O-])C2)cs1 ZINC000853036394 634884985 /nfs/dbraw/zinc/88/49/85/634884985.db2.gz JPLHQWDTBGUMIZ-JTQLQIEISA-N -1 1 280.393 2.704 20 0 CFADMM Cc1nc(CC(=O)Nc2ccc([O-])c(Cl)c2)cs1 ZINC000111668098 635134078 /nfs/dbraw/zinc/13/40/78/635134078.db2.gz YPMIMUUMDKXNHG-UHFFFAOYSA-N -1 1 282.752 2.992 20 0 CFADMM CC(F)(F)C(=O)[N-][C@@H](CO)c1cccc(Cl)c1Cl ZINC000853863033 635137550 /nfs/dbraw/zinc/13/75/50/635137550.db2.gz VWEVTPOUGKTJIQ-QMMMGPOBSA-N -1 1 298.116 2.798 20 0 CFADMM Cc1ccc([C@H](C)NC(=O)c2cncc([O-])c2)s1 ZINC000111739389 635168018 /nfs/dbraw/zinc/16/80/18/635168018.db2.gz QLIBJRWXLWHMMB-VIFPVBQESA-N -1 1 262.334 2.648 20 0 CFADMM O=C(Nc1cccc2cnccc21)c1cncc([O-])c1 ZINC000111771743 635179936 /nfs/dbraw/zinc/17/99/36/635179936.db2.gz XRAVUGGBKKCMQO-UHFFFAOYSA-N -1 1 265.272 2.588 20 0 CFADMM CC(C)(C)[C@H](O)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675836 635278507 /nfs/dbraw/zinc/27/85/07/635278507.db2.gz CCSYJYWWUUYOGS-SNVBAGLBSA-N -1 1 275.707 2.530 20 0 CFADMM CO[C@H](C)CCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675916 635280563 /nfs/dbraw/zinc/28/05/63/635280563.db2.gz FLDXZPRZBVZPMP-SSDOTTSWSA-N -1 1 275.707 2.938 20 0 CFADMM CCC(C)(C)OCC(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000854507731 635320481 /nfs/dbraw/zinc/32/04/81/635320481.db2.gz WBHRGNFIVMMJOD-UHFFFAOYSA-N -1 1 292.335 2.596 20 0 CFADMM CC[C@H](C)CONC(=O)c1cc(SC)ccc1[O-] ZINC000854601802 635347188 /nfs/dbraw/zinc/34/71/88/635347188.db2.gz HOBJNWXFWYUKCB-VIFPVBQESA-N -1 1 269.366 2.822 20 0 CFADMM C[C@H]([N-]C(=O)C(F)(F)c1nccs1)c1cscn1 ZINC000855450639 635556784 /nfs/dbraw/zinc/55/67/84/635556784.db2.gz JYZZHJBUWBMZRC-LURJTMIESA-N -1 1 289.332 2.569 20 0 CFADMM C[C@@]12COC[C@]1(C)CN(C(=O)c1c([O-])cccc1Cl)C2 ZINC000855543068 635575598 /nfs/dbraw/zinc/57/55/98/635575598.db2.gz ROVCVJYMEDANOP-GASCZTMLSA-N -1 1 295.766 2.544 20 0 CFADMM C[C@@H](C(=O)[N-]OCC1CCC1)c1cccc(F)c1 ZINC000856349640 635792232 /nfs/dbraw/zinc/79/22/32/635792232.db2.gz RQJCEHHPOZVMLK-SNVBAGLBSA-N -1 1 251.301 2.777 20 0 CFADMM CC[C@H](C)c1ccccc1OS(=O)(=O)c1c[n-]cn1 ZINC000114212099 635805416 /nfs/dbraw/zinc/80/54/16/635805416.db2.gz NEZGVMIWIVTZAP-JTQLQIEISA-N -1 1 280.349 2.691 20 0 CFADMM O=C(OCCCCc1cccc(Cl)c1)c1cn[n-]n1 ZINC000856935784 635889857 /nfs/dbraw/zinc/88/98/57/635889857.db2.gz GTBYVFVVPYMLCF-UHFFFAOYSA-N -1 1 279.727 2.638 20 0 CFADMM CC(C)c1ccc(N(C)C(=O)C2=C([O-])C(C)N=N2)cc1 ZINC000857470959 635979006 /nfs/dbraw/zinc/97/90/06/635979006.db2.gz TVZTVHPEWGPSTP-UHFFFAOYSA-N -1 1 273.336 2.824 20 0 CFADMM Cn1[n-]cc2c(=NC(=O)C3CC4(C3)CCCCC4)ccnc1-2 ZINC000857615425 635995323 /nfs/dbraw/zinc/99/53/23/635995323.db2.gz UTIAJVFFHMYQFV-UHFFFAOYSA-N -1 1 298.390 2.641 20 0 CFADMM CC(C)(C)c1nnsc1C(=O)[N-]c1ccnc(F)c1F ZINC000857695999 636011773 /nfs/dbraw/zinc/01/17/73/636011773.db2.gz DUMYYCWDYSKNSN-UHFFFAOYSA-N -1 1 298.318 2.761 20 0 CFADMM COc1ccc(CCCNc2cc(Cl)[n-]c(=O)n2)cc1 ZINC000858357334 636204952 /nfs/dbraw/zinc/20/49/52/636204952.db2.gz BAIXPXZIXRKULH-UHFFFAOYSA-N -1 1 293.754 2.889 20 0 CFADMM O=c1nc(N2CCC(OC3CCCC3)CC2)cc(Cl)[n-]1 ZINC000858377704 636213174 /nfs/dbraw/zinc/21/31/74/636213174.db2.gz AXHKGWPQHWKCGO-UHFFFAOYSA-N -1 1 297.786 2.764 20 0 CFADMM CCS[C@@H]1CCCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858407711 636223989 /nfs/dbraw/zinc/22/39/89/636223989.db2.gz MAPLXQIEEHCISR-SECBINFHSA-N -1 1 287.816 2.948 20 0 CFADMM CC(C)[C@@H]1CCCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858415601 636226746 /nfs/dbraw/zinc/22/67/46/636226746.db2.gz ZJODYWBTNSCYOG-VIFPVBQESA-N -1 1 255.749 2.851 20 0 CFADMM CCO[C@@H](CCNc1cc(Cl)[n-]c(=O)n1)C(C)C ZINC000858432236 636236931 /nfs/dbraw/zinc/23/69/31/636236931.db2.gz GQWQFZDQHKKAHQ-VIFPVBQESA-N -1 1 273.764 2.699 20 0 CFADMM CCS[C@@H]1CC[C@@H](N(C)c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858429988 636237023 /nfs/dbraw/zinc/23/70/23/636237023.db2.gz VAHLEUJXVSJIPM-RKDXNWHRSA-N -1 1 287.816 2.946 20 0 CFADMM CCS[C@H]1CCC[C@@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858434406 636238304 /nfs/dbraw/zinc/23/83/04/636238304.db2.gz GDQKVWOYDBCOFG-YUMQZZPRSA-N -1 1 273.789 2.922 20 0 CFADMM CCC1(CC)[C@H](OC)C[C@@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858447544 636244503 /nfs/dbraw/zinc/24/45/03/636244503.db2.gz GFXFDUYGPFMJPQ-DTWKUNHWSA-N -1 1 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2.843 20 0 CFADMM O=C(NCc1ccco1)c1c([O-])cccc1Cl ZINC000049080924 650287046 /nfs/dbraw/zinc/28/70/46/650287046.db2.gz DSTMTBOFKPYHOH-UHFFFAOYSA-N -1 1 251.669 2.569 20 0 CFADMM Cc1ccc(CNC(=O)c2c([O-])cccc2Cl)cn1 ZINC000049090583 650287937 /nfs/dbraw/zinc/28/79/37/650287937.db2.gz OQCJNJXSJWMZHK-UHFFFAOYSA-N -1 1 276.723 2.679 20 0 CFADMM CC(=O)c1csc(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000188344574 650324196 /nfs/dbraw/zinc/32/41/96/650324196.db2.gz UGAORALHOYMDSK-UHFFFAOYSA-N -1 1 296.735 2.957 20 0 CFADMM CCOC1CC(CC(=O)Nc2cccc(F)c2[O-])C1 ZINC000863008498 637535866 /nfs/dbraw/zinc/53/58/66/637535866.db2.gz UOJWHSNHNSYDHK-UHFFFAOYSA-N -1 1 267.300 2.675 20 0 CFADMM COC(=O)c1c[n-]c(SCCC(F)=C(F)F)n1 ZINC000863323835 637626178 /nfs/dbraw/zinc/62/61/78/637626178.db2.gz VIBVJSIONJGHAY-UHFFFAOYSA-N -1 1 266.244 2.756 20 0 CFADMM Cc1cc(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)cnc1Cl ZINC000863739046 637765805 /nfs/dbraw/zinc/76/58/05/637765805.db2.gz HNENLIPMGDLVHA-PWSUYJOCSA-N -1 1 282.771 2.586 20 0 CFADMM CC1(C)C[C@@H](CNC(=O)c2c([O-])cccc2F)C(C)(C)O1 ZINC000885839613 637873674 /nfs/dbraw/zinc/87/36/74/637873674.db2.gz LRICNRCYBRGQPE-JTQLQIEISA-N -1 1 295.354 2.855 20 0 CFADMM Cc1sc(C)c2c1[n-]c(C1CCOCC1)nc2=O ZINC000864355429 637950985 /nfs/dbraw/zinc/95/09/85/637950985.db2.gz MOJPVOCQQIXUMV-UHFFFAOYSA-N -1 1 264.350 2.908 20 0 CFADMM COc1ccc2nc(-c3coc(C4CC4)n3)[n-]c(=O)c2c1 ZINC000864354747 637951219 /nfs/dbraw/zinc/95/12/19/637951219.db2.gz BINIXPZVISYELZ-UHFFFAOYSA-N -1 1 283.287 2.876 20 0 CFADMM CCc1nnc([N-]C(=O)c2conc2C2CCCC2)s1 ZINC000864968580 638141502 /nfs/dbraw/zinc/14/15/02/638141502.db2.gz GDXIKYZDAJAGJE-UHFFFAOYSA-N -1 1 292.364 2.998 20 0 CFADMM O=C(CCc1ccccc1O)Nc1nc(Cl)ccc1[O-] ZINC000189852274 650399142 /nfs/dbraw/zinc/39/91/42/650399142.db2.gz KNXZLNPAHYWHKV-UHFFFAOYSA-N -1 1 292.722 2.718 20 0 CFADMM Cc1cnc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)cn1 ZINC000865373396 638292030 /nfs/dbraw/zinc/29/20/30/638292030.db2.gz RYWURDALLFUXHI-UHFFFAOYSA-N -1 1 288.376 2.759 20 0 CFADMM Cc1ccccc1[C@@H]1C[C@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000076985171 650411931 /nfs/dbraw/zinc/41/19/31/650411931.db2.gz DJFWAXVRYGMYSR-RRFJBIMHSA-N -1 1 275.348 2.673 20 0 CFADMM O=c1nc(N2CCC3(CCSCC3)CC2)cc(Cl)[n-]1 ZINC000866020432 638700603 /nfs/dbraw/zinc/70/06/03/638700603.db2.gz LNCBRDDZQWDVFR-UHFFFAOYSA-N -1 1 299.827 2.949 20 0 CFADMM Cc1nsc([N-]C(=O)c2nc(C(C)(C)C)cs2)n1 ZINC000866165335 638761851 /nfs/dbraw/zinc/76/18/51/638761851.db2.gz MUSSKDRYVCWCES-UHFFFAOYSA-N -1 1 282.394 2.853 20 0 CFADMM CC1(C)CC[C@@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000868335605 638938664 /nfs/dbraw/zinc/93/86/64/638938664.db2.gz LFKBONSKEIAQEF-LBPRGKRZSA-N -1 1 267.756 2.893 20 0 CFADMM O=C(Nc1cccc(F)c1[O-])C1CC2(CSC2)C1 ZINC000869447975 639236266 /nfs/dbraw/zinc/23/62/66/639236266.db2.gz FFRXVFIDGHXJLJ-UHFFFAOYSA-N -1 1 267.325 2.613 20 0 CFADMM CCOCCCOC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869736729 639375127 /nfs/dbraw/zinc/37/51/27/639375127.db2.gz OIOCBRRGBZZIGO-UHFFFAOYSA-N -1 1 272.728 2.558 20 0 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287.359 2.662 20 0 CFADMM O=C(NCC[C@@H]1CCCS1)c1c(F)ccc([O-])c1F ZINC000871036259 641168851 /nfs/dbraw/zinc/16/88/51/641168851.db2.gz FREHILCTDPRMLU-QMMMGPOBSA-N -1 1 287.331 2.686 20 0 CFADMM CC(C)(NC(=O)c1c([O-])cccc1F)[C@@H]1CCCCO1 ZINC000871167968 641228348 /nfs/dbraw/zinc/22/83/48/641228348.db2.gz APUDXPKGTCMRKT-LBPRGKRZSA-N -1 1 281.327 2.609 20 0 CFADMM CC(C)(NC(=O)c1ccc([O-])cc1F)[C@H]1CCCCO1 ZINC000871169228 641230896 /nfs/dbraw/zinc/23/08/96/641230896.db2.gz LZYJAWIYTPBZMC-CYBMUJFWSA-N -1 1 281.327 2.609 20 0 CFADMM O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1c([O-])cccc1Cl ZINC000871207542 641245828 /nfs/dbraw/zinc/24/58/28/641245828.db2.gz AUGUKHUTBYRBDU-IYSWYEEDSA-N -1 1 279.645 2.726 20 0 CFADMM C[C@@H](C(=O)[N-]OCCCC(F)(F)F)c1cccnc1 ZINC000871213185 641249899 /nfs/dbraw/zinc/24/98/99/641249899.db2.gz LRSKTUFBEUHVGH-SECBINFHSA-N -1 1 276.258 2.575 20 0 CFADMM CO[C@H]1CCCC[C@@H]1C(=O)[N-]OCCCC(F)(F)F ZINC000871215563 641252689 /nfs/dbraw/zinc/25/26/89/641252689.db2.gz 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CCO[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000885349755 646667802 /nfs/dbraw/zinc/66/78/02/646667802.db2.gz LCXAEIGCRDCJNI-ZDUSSCGKSA-N -1 1 285.343 2.796 20 0 CFADMM O=C(N[C@@H]1CCCc2cccnc21)c1ccc([O-])cc1F ZINC000885364838 646672612 /nfs/dbraw/zinc/67/26/12/646672612.db2.gz HYEIQYKUTOQACS-CQSZACIVSA-N -1 1 286.306 2.734 20 0 CFADMM O=C(N[C@H]1CCCc2cccnc21)c1cc(F)ccc1[O-] ZINC000885389793 646677788 /nfs/dbraw/zinc/67/77/88/646677788.db2.gz WZQHUMKRLLACEK-ZDUSSCGKSA-N -1 1 286.306 2.734 20 0 CFADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCC=CO1 ZINC000885676859 646735067 /nfs/dbraw/zinc/73/50/67/646735067.db2.gz ULWQKUXBVUFWSA-NSHDSACASA-N -1 1 271.675 2.816 20 0 CFADMM CCO[C@H]1C[C@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674018 646735145 /nfs/dbraw/zinc/73/51/45/646735145.db2.gz CTLMZVUGLDHBQI-KBUNVGBDSA-N -1 1 273.691 2.548 20 0 CFADMM C[C@](O)(C(=O)Nc1cc(F)c([O-])cc1Cl)C1CCC1 ZINC000885677840 646735733 /nfs/dbraw/zinc/73/57/33/646735733.db2.gz AUOJLYIUGYIENF-CYBMUJFWSA-N -1 1 287.718 2.674 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ZINC001225019601 775339320 /nfs/dbraw/zinc/33/93/20/775339320.db2.gz YNQPQDYKHKVIPJ-HTAVTVPLSA-N -1 1 262.286 2.540 20 0 CFADMM Cc1ccc(CN(C)Cc2cncc(C(=O)[O-])c2)cc1 ZINC000721623405 775448209 /nfs/dbraw/zinc/44/82/09/775448209.db2.gz XTLDYNPEWGYXQX-UHFFFAOYSA-N -1 1 270.332 2.720 20 0 CFADMM CC(=O)c1ccc([O-])cc1O[C@H](C)c1cn(C)nc1C ZINC001225616750 775524914 /nfs/dbraw/zinc/52/49/14/775524914.db2.gz OVXAVMOVKHSHOD-LLVKDONJSA-N -1 1 274.320 2.777 20 0 CFADMM CC(=O)c1ccc([O-])cc1O[C@H]1CCO[C@H](C)C1 ZINC001225618043 775524987 /nfs/dbraw/zinc/52/49/87/775524987.db2.gz BNMBHQRPXIUFEB-SKDRFNHKSA-N -1 1 250.294 2.541 20 0 CFADMM CCOC(=O)[C@H]1CC[C@@H](Oc2cc([O-])ccc2C(C)=O)C1 ZINC001225619844 775526376 /nfs/dbraw/zinc/52/63/76/775526376.db2.gz XZMHMIVJLNTBDY-WCQYABFASA-N -1 1 292.331 2.705 20 0 CFADMM Cc1cccc2c1[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)CC2 ZINC001225760324 775585573 /nfs/dbraw/zinc/58/55/73/775585573.db2.gz CWUXAEWUQXHDIH-SNVBAGLBSA-N -1 1 274.345 2.846 20 0 CFADMM CCOC(=O)c1c[n-]c(=O)nc1O[C@H](C)CCC(C)C ZINC001225899264 775627671 /nfs/dbraw/zinc/62/76/71/775627671.db2.gz KGEKCDYZWUUIOT-SNVBAGLBSA-N -1 1 282.340 2.562 20 0 CFADMM CCOC(=O)c1c[n-]c(=O)nc1O[C@@H](CC(C)C)C(C)C ZINC001225900045 775628490 /nfs/dbraw/zinc/62/84/90/775628490.db2.gz XTZCZOQVJNBEJD-LBPRGKRZSA-N -1 1 296.367 2.808 20 0 CFADMM CC[C@H](COC)Oc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001226184675 775727923 /nfs/dbraw/zinc/72/79/23/775727923.db2.gz JNCODWQPBLCSSU-GFCCVEGCSA-N -1 1 274.320 2.653 20 0 CFADMM O=c1cc(O[C@H]2CCn3ccnc32)nc(-c2ccccc2)[n-]1 ZINC001226182772 775728375 /nfs/dbraw/zinc/72/83/75/775728375.db2.gz OVEXDSMVCXLKHG-LBPRGKRZSA-N -1 1 294.314 2.570 20 0 CFADMM CC(C)n1nccc1CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000394552350 775744231 /nfs/dbraw/zinc/74/42/31/775744231.db2.gz IJWKGOZWPYVFIR-MRXNPFEDSA-N -1 1 299.374 2.648 20 0 CFADMM CCC[C@@H](Oc1nc(=O)[n-]cc1C(C)=O)[C@H](C)CC ZINC001226238439 775747806 /nfs/dbraw/zinc/74/78/06/775747806.db2.gz RYWUSVQHJVCQNM-BXKDBHETSA-N -1 1 266.341 2.978 20 0 CFADMM CCCC(CCC)Oc1nc(=O)[n-]cc1C(C)=O ZINC001226238696 775748972 /nfs/dbraw/zinc/74/89/72/775748972.db2.gz XHCOAQTXYVBXLE-UHFFFAOYSA-N -1 1 252.314 2.732 20 0 CFADMM CO[C@@H](C)CCOc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226483125 775841779 /nfs/dbraw/zinc/84/17/79/775841779.db2.gz AIIVBRLWPDHBSO-JTQLQIEISA-N -1 1 278.304 2.611 20 0 CFADMM C[C@H](O)CCCC(=O)Oc1cccc([O-])c1Cl ZINC001226708181 775931630 /nfs/dbraw/zinc/93/16/30/775931630.db2.gz CLLRCCQABYUVFP-QMMMGPOBSA-N -1 1 258.701 2.502 20 0 CFADMM Cc1cc(Nc2cc(=O)[nH]c(Cl)n2)ccc1C(=O)[O-] ZINC001211653000 775961597 /nfs/dbraw/zinc/96/15/97/775961597.db2.gz VYJUIIQZWWHGES-UHFFFAOYSA-N -1 1 279.683 2.586 20 0 CFADMM CCC(CC)[C@H](CC)Oc1nc(=O)[n-]cc1OC ZINC001226823591 775979511 /nfs/dbraw/zinc/97/95/11/775979511.db2.gz UGDSNCLJRVXWPG-JTQLQIEISA-N -1 1 254.330 2.784 20 0 CFADMM COc1c[n-]c(=O)nc1OC1CCC(C)(C)CC1 ZINC001226824394 775979580 /nfs/dbraw/zinc/97/95/80/775979580.db2.gz XVLLAMCGYKIBPX-UHFFFAOYSA-N -1 1 252.314 2.538 20 0 CFADMM COc1c[n-]c(=O)nc1O[C@@H](C)CCCC(C)C ZINC001226828636 775982898 /nfs/dbraw/zinc/98/28/98/775982898.db2.gz SJEXOZQGJZOTIF-JTQLQIEISA-N -1 1 254.330 2.784 20 0 CFADMM C[C@H]1C[C@H](NC(=O)c2ccncc2[O-])CC(C)(C)C1 ZINC000709391627 776098774 /nfs/dbraw/zinc/09/87/74/776098774.db2.gz HKIYUBIFWXSYDD-QWRGUYRKSA-N -1 1 262.353 2.732 20 0 CFADMM COCC(=O)c1ccc([O-])cc1O[C@H]1C=CCCC1 ZINC001227167954 776121945 /nfs/dbraw/zinc/12/19/45/776121945.db2.gz BLVWDDVWWVBYBC-LBPRGKRZSA-N -1 1 262.305 2.709 20 0 CFADMM COCC(=O)c1ccc([O-])cc1OC1CCCCC1 ZINC001227169475 776122752 /nfs/dbraw/zinc/12/27/52/776122752.db2.gz UFLGNEWJTUPINB-UHFFFAOYSA-N -1 1 264.321 2.933 20 0 CFADMM CC(=O)[C@H](Oc1[n-]c(=S)ncc1F)c1ccccc1 ZINC001227382116 776189103 /nfs/dbraw/zinc/18/91/03/776189103.db2.gz AIQCHRSQTZHKFV-NSHDSACASA-N -1 1 278.308 2.614 20 0 CFADMM Cc1oc2ccccc2c1CN(CC(=O)[O-])C1CC1 ZINC000124208497 776189303 /nfs/dbraw/zinc/18/93/03/776189303.db2.gz RLNRKVKVZRODAF-UHFFFAOYSA-N -1 1 259.305 2.790 20 0 CFADMM CCCC[C@H](CCC)Oc1nc2c([n-]1)[nH]c(=O)[nH]c2=O ZINC001227431316 776202416 /nfs/dbraw/zinc/20/24/16/776202416.db2.gz UTFLZIWNLSRKAR-QMMMGPOBSA-N -1 1 280.328 2.502 20 0 CFADMM CCC[C@@H]1CCCC[C@H]1Oc1nc2c([n-]1)[nH]c(=O)[nH]c2=O ZINC001227429394 776202451 /nfs/dbraw/zinc/20/24/51/776202451.db2.gz BRPNMJAQKPEVID-RKDXNWHRSA-N -1 1 292.339 2.502 20 0 CFADMM CCC[C@H]1CCCC[C@H]1Oc1nc2c([n-]1)[nH]c(=O)[nH]c2=O ZINC001227429390 776202555 /nfs/dbraw/zinc/20/25/55/776202555.db2.gz BRPNMJAQKPEVID-DTWKUNHWSA-N -1 1 292.339 2.502 20 0 CFADMM Cc1ccc([C@H](C)Oc2[n-]c(=O)nc3c2COC3)cc1 ZINC001227686020 776255537 /nfs/dbraw/zinc/25/55/37/776255537.db2.gz DIYVXWWPCGGNEG-JTQLQIEISA-N -1 1 272.304 2.661 20 0 CFADMM CSc1nc(O[C@H](C)c2cc(C)cnc2F)cc(=O)[n-]1 ZINC001228095743 776395749 /nfs/dbraw/zinc/39/57/49/776395749.db2.gz WZINOFFSOKRIMC-MRVPVSSYSA-N -1 1 295.339 2.887 20 0 CFADMM CCCC[C@@H](CC)[C@@H](CC)Oc1nc(C(=O)OC)n[n-]1 ZINC001228315280 776456271 /nfs/dbraw/zinc/45/62/71/776456271.db2.gz XWMNRSOVLZNGMS-GHMZBOCLSA-N -1 1 283.372 2.965 20 0 CFADMM CCCC[C@@H](CC)[C@@H](CC)Oc1n[n-]c(C(=O)OC)n1 ZINC001228315280 776456272 /nfs/dbraw/zinc/45/62/72/776456272.db2.gz XWMNRSOVLZNGMS-GHMZBOCLSA-N -1 1 283.372 2.965 20 0 CFADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)C1CCOCC1 ZINC001228559630 776521175 /nfs/dbraw/zinc/52/11/75/776521175.db2.gz FAPHEIXCIYGHPG-SNVBAGLBSA-N -1 1 294.347 2.884 20 0 CFADMM CCC(=O)c1c(O)cc([O-])cc1OC[C@H]1CCC=CO1 ZINC001228559733 776521933 /nfs/dbraw/zinc/52/19/33/776521933.db2.gz FKSGOHSSVSEYED-LLVKDONJSA-N -1 1 278.304 2.762 20 0 CFADMM C[C@H](Oc1[n-]c(=S)nc2ccccc21)c1cncnc1 ZINC001228766731 776602919 /nfs/dbraw/zinc/60/29/19/776602919.db2.gz UWUFWHPZUCPNDP-VIFPVBQESA-N -1 1 284.344 2.849 20 0 CFADMM COc1ccc2c(c1)nc(=O)[nH]c2O[C@H](C)C1=CC=C[CH]1 ZINC001229136406 776728593 /nfs/dbraw/zinc/72/85/93/776728593.db2.gz APXQBIKLKKORKO-SNVBAGLBSA-N -1 1 283.307 2.812 20 0 CFADMM COc1ccc(Nc2c([O-])cc(F)cc2F)c(CO)c1 ZINC001211743067 776849085 /nfs/dbraw/zinc/84/90/85/776849085.db2.gz GKWBCODUOBGMSY-UHFFFAOYSA-N -1 1 281.258 2.915 20 0 CFADMM COc1ccc(Nc2cc([O-])c(F)c(F)c2)c(CO)c1 ZINC001211747702 776860180 /nfs/dbraw/zinc/86/01/80/776860180.db2.gz TVUKYCYKWRYNGU-UHFFFAOYSA-N -1 1 281.258 2.915 20 0 CFADMM COc1ccc(Nc2ccc(F)c(F)c2[O-])c(CO)c1 ZINC001211749499 776865470 /nfs/dbraw/zinc/86/54/70/776865470.db2.gz OEYMIBZGFWMZGO-UHFFFAOYSA-N -1 1 281.258 2.915 20 0 CFADMM CCCCC[C@H](CC)Oc1nc(=O)[n-]cc1C(=O)OC ZINC001229872617 776908283 /nfs/dbraw/zinc/90/82/83/776908283.db2.gz KVGQLENIRFEZLW-JTQLQIEISA-N -1 1 282.340 2.707 20 0 CFADMM CCC[C@H](Oc1nc(=O)[n-]cc1C(=O)OC)[C@@H](C)CC ZINC001229872984 776908397 /nfs/dbraw/zinc/90/83/97/776908397.db2.gz QGBKRZHRNHUMKY-ONGXEEELSA-N -1 1 282.340 2.562 20 0 CFADMM CCC[C@@H]1CCCC[C@@H]1Oc1nc(=O)[n-]cc1C(=O)OC ZINC001229870172 776908458 /nfs/dbraw/zinc/90/84/58/776908458.db2.gz GYABVCMUOHQNAI-PWSUYJOCSA-N -1 1 294.351 2.707 20 0 CFADMM CCC[C@H](C)[C@@H](Oc1nc(=O)[n-]cc1C(=O)OC)C(C)C 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COc1ccc2nc(=O)[nH]c(O[C@H](C)C3=CC=C[CH]3)c2c1 ZINC001230862148 777076480 /nfs/dbraw/zinc/07/64/80/777076480.db2.gz KVEAHTKFQDRACK-SNVBAGLBSA-N -1 1 283.307 2.812 20 0 CFADMM CCC(=O)[C@@H](CC)Oc1cccnc1-c1ncccc1[O-] ZINC001231199952 777169334 /nfs/dbraw/zinc/16/93/34/777169334.db2.gz HXCPMWDHQMXWLB-CYBMUJFWSA-N -1 1 286.331 2.986 20 0 CFADMM C[C@@H](Oc1cccnc1-c1ncccc1[O-])c1cncnc1 ZINC001231199097 777169390 /nfs/dbraw/zinc/16/93/90/777169390.db2.gz AORUCNISPYDDJB-LLVKDONJSA-N -1 1 294.314 2.779 20 0 CFADMM CO[C@H](C)CCOc1cccnc1-c1ncccc1[O-] ZINC001231200270 777170129 /nfs/dbraw/zinc/17/01/29/777170129.db2.gz KZWDHIUJPLMDIP-LLVKDONJSA-N -1 1 274.320 2.653 20 0 CFADMM CCOCC1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001231459499 777226269 /nfs/dbraw/zinc/22/62/69/777226269.db2.gz BPJIJBVPJZXLBW-UHFFFAOYSA-N -1 1 295.354 2.772 20 0 CFADMM O=C(NC[C@H]1C=CCC1)c1ccc(Cl)cc1[O-] ZINC000711749518 777232943 /nfs/dbraw/zinc/23/29/43/777232943.db2.gz LWMJPLOHXMLCQK-VIFPVBQESA-N -1 1 251.713 2.742 20 0 CFADMM COC(=O)[C@@H]1CCCCN1Cc1ccc(Cl)c([O-])c1 ZINC001231733546 777315956 /nfs/dbraw/zinc/31/59/56/777315956.db2.gz XZAHMCDPSPRLKC-LBPRGKRZSA-N -1 1 283.755 2.573 20 0 CFADMM C[C@@H]1CCN(Cc2ccc(Cl)c([O-])c2)CCC1=O ZINC001231733052 777316395 /nfs/dbraw/zinc/31/63/95/777316395.db2.gz KWEDCRJFGFXBHK-SNVBAGLBSA-N -1 1 267.756 2.847 20 0 CFADMM CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1ccc(Cl)c([O-])c1 ZINC001231730896 777316691 /nfs/dbraw/zinc/31/66/91/777316691.db2.gz HDAUOMFUVUDLEE-XHDPSFHLSA-N -1 1 295.766 2.573 20 0 CFADMM CCc1ccc(CN=c2[n-]nc(C)n2C2CC2)cc1 ZINC000340702507 777592688 /nfs/dbraw/zinc/59/26/88/777592688.db2.gz MPICUQOFZCKQKA-UHFFFAOYSA-N -1 1 256.353 2.518 20 0 CFADMM O=C1CN(Cc2cccc([O-])c2Cl)CCC[C@@H]1F ZINC001232784891 777667775 /nfs/dbraw/zinc/66/77/75/777667775.db2.gz YCNFZCOIHQOGLK-JTQLQIEISA-N -1 1 271.719 2.549 20 0 CFADMM Cc1cc(CN(C)Cc2cccc([O-])c2Cl)n(C)n1 ZINC001232787412 777669183 /nfs/dbraw/zinc/66/91/83/777669183.db2.gz OADGCJOHMQLDHC-UHFFFAOYSA-N -1 1 279.771 2.720 20 0 CFADMM CN(Cc1ccc(F)c([O-])c1F)C1CC(F)(F)C1 ZINC001232930610 777723458 /nfs/dbraw/zinc/72/34/58/777723458.db2.gz CKIQAAWSNXQTOR-UHFFFAOYSA-N -1 1 263.234 2.900 20 0 CFADMM COC[C@H]1CCCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232971276 777747537 /nfs/dbraw/zinc/74/75/37/777747537.db2.gz ZSBBOPFLJDIJHV-LLVKDONJSA-N -1 1 271.307 2.671 20 0 CFADMM O=C1CCN(Cc2cc(Cl)ncc2[O-])[C@H]2CCCC[C@@H]12 ZINC001233033062 777770731 /nfs/dbraw/zinc/77/07/31/777770731.db2.gz YUZPCSAMJNWBSP-NEPJUHHUSA-N -1 1 294.782 2.774 20 0 CFADMM C[C@@H](Oc1[n-]c(=S)ncc1F)c1ncccc1F ZINC001227383005 777828518 /nfs/dbraw/zinc/82/85/18/777828518.db2.gz IBEUQTOAFFFDHQ-ZCFIWIBFSA-N -1 1 269.276 2.579 20 0 CFADMM COc1ccc(C[N@H+](C)CCSC)c(Cl)c1O ZINC001233401867 777938828 /nfs/dbraw/zinc/93/88/28/777938828.db2.gz RJKSYZRZBYMBNE-UHFFFAOYSA-N -1 1 275.801 2.849 20 0 CFADMM CCCC(=O)c1ccc([O-])cc1O[C@@H]1CCCOC1 ZINC001233650954 778025283 /nfs/dbraw/zinc/02/52/83/778025283.db2.gz URPXQWIGTHDYBY-GFCCVEGCSA-N -1 1 264.321 2.933 20 0 CFADMM CCCC(=O)c1ccc([O-])cc1O[C@@H](C)COC ZINC001233650833 778025413 /nfs/dbraw/zinc/02/54/13/778025413.db2.gz SOZCWYCXIPCYMR-JTQLQIEISA-N -1 1 252.310 2.789 20 0 CFADMM COC(=O)c1nc[n-]c(=O)c1O[C@H]1CC[C@H](C(C)C)CC1 ZINC001233759962 778066250 /nfs/dbraw/zinc/06/62/50/778066250.db2.gz SQZOKGJPOZIJJI-XYPYZODXSA-N -1 1 294.351 2.562 20 0 CFADMM CCCCC[C@@H](Oc1c(=O)[n-]cnc1C(=O)OC)C(C)C ZINC001233760223 778066783 /nfs/dbraw/zinc/06/67/83/778066783.db2.gz VMDSCZYHNHKHIR-LLVKDONJSA-N -1 1 296.367 2.953 20 0 CFADMM CCCCCC[C@@H](CC)Oc1c(C(N)=O)nc(C)[n-]c1=O ZINC001234475568 778234094 /nfs/dbraw/zinc/23/40/94/778234094.db2.gz BXMOQBGRVKFKNW-LLVKDONJSA-N -1 1 295.383 2.717 20 0 CFADMM COC(=O)c1nc(C)[n-]c(=O)c1OC1CCCCCCC1 ZINC001234564769 778253386 /nfs/dbraw/zinc/25/33/86/778253386.db2.gz PVAMOOWDYVSYBJ-UHFFFAOYSA-N -1 1 294.351 2.769 20 0 CFADMM CC[C@H](C[C@@H](C)CC)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234564886 778253408 /nfs/dbraw/zinc/25/34/08/778253408.db2.gz QXKURJGFRPPWLA-GXSJLCMTSA-N -1 1 296.367 2.871 20 0 CFADMM CCCC/C=C/[C@@H](C)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234563940 778253956 /nfs/dbraw/zinc/25/39/56/778253956.db2.gz AJADHSUFHPPTAT-AAXQSMANSA-N -1 1 294.351 2.791 20 0 CFADMM O=C([O-])c1cc(Cl)ccc1CN1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001142647248 778550386 /nfs/dbraw/zinc/55/03/86/778550386.db2.gz UCOXMELKJBISFD-TXEJJXNPSA-N -1 1 293.750 2.734 20 0 CFADMM Cc1ccc(F)c(-c2nccc3c2ncn3C)c1[O-] ZINC001236388924 778798455 /nfs/dbraw/zinc/79/84/55/778798455.db2.gz AYJAXCKFVUZIDJ-UHFFFAOYSA-N -1 1 257.268 2.788 20 0 CFADMM COC(=O)c1cnc(-c2c(F)ccc(C)c2[O-])cc1C ZINC001236391392 778799856 /nfs/dbraw/zinc/79/98/56/778799856.db2.gz IPPKMEQWWZNSMX-UHFFFAOYSA-N -1 1 275.279 2.997 20 0 CFADMM COC(=O)c1cc(OC)nc(-c2c(F)ccc(C)c2[O-])c1 ZINC001236391182 778799905 /nfs/dbraw/zinc/79/99/05/778799905.db2.gz LUMIJZDQFJOSCF-UHFFFAOYSA-N -1 1 291.278 2.697 20 0 CFADMM COC(=O)Cc1cccc(-c2c(F)ccc(C)c2[O-])n1 ZINC001236393273 778800664 /nfs/dbraw/zinc/80/06/64/778800664.db2.gz RDTWVEDHWTXMJK-UHFFFAOYSA-N -1 1 275.279 2.617 20 0 CFADMM CCNC(=O)c1ccc(-c2c(F)ccc(C)c2[O-])nc1 ZINC001236392455 778801027 /nfs/dbraw/zinc/80/10/27/778801027.db2.gz RJVMUVJAAUVVAE-UHFFFAOYSA-N -1 1 274.295 2.651 20 0 CFADMM Cc1ccc(F)c(-c2ncccc2C(N)=S)c1[O-] ZINC001236392597 778801140 /nfs/dbraw/zinc/80/11/40/778801140.db2.gz UTABVZLOPIISLQ-UHFFFAOYSA-N -1 1 262.309 2.536 20 0 CFADMM CC(C)Nc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1 ZINC001236486296 778847226 /nfs/dbraw/zinc/84/72/26/778847226.db2.gz KRAHKMSAVDNJQG-UHFFFAOYSA-N -1 1 291.287 2.977 20 0 CFADMM CC(C)Nc1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1 ZINC001236486296 778847231 /nfs/dbraw/zinc/84/72/31/778847231.db2.gz KRAHKMSAVDNJQG-UHFFFAOYSA-N -1 1 291.287 2.977 20 0 CFADMM Cc1cc(Nc2nc[n-]c(=O)c2Br)cnc1F ZINC001212181098 778859595 /nfs/dbraw/zinc/85/95/95/778859595.db2.gz RKRXGTPUKNKDFL-UHFFFAOYSA-N -1 1 299.103 2.531 20 0 CFADMM C[C@H]1CCN(Cc2cc(Cl)ncc2[O-])CC1(F)F ZINC001233032905 779008862 /nfs/dbraw/zinc/00/88/62/779008862.db2.gz WDLASXVIHHCRML-QMMMGPOBSA-N -1 1 276.714 2.918 20 0 CFADMM C[C@]1(F)CCCN(Cc2cc(Cl)ncc2[O-])C1 ZINC001233032696 779009071 /nfs/dbraw/zinc/00/90/71/779009071.db2.gz PQHRUUKXLOQRPX-LBPRGKRZSA-N -1 1 258.724 2.765 20 0 CFADMM [O-]c1cc(F)c(CN2CCC3(CCO3)CC2)cc1Cl ZINC001238149613 779263214 /nfs/dbraw/zinc/26/32/14/779263214.db2.gz JKGCZGIWTMLEBD-UHFFFAOYSA-N -1 1 285.746 2.940 20 0 CFADMM CSCCN(C)Cc1cc(Cl)c([O-])cc1F ZINC001238155377 779265004 /nfs/dbraw/zinc/26/50/04/779265004.db2.gz ORJFVXVLIWHUOW-UHFFFAOYSA-N -1 1 263.765 2.980 20 0 CFADMM CCOC(=O)c1nc2cc(-c3ccc(OC)nc3)ccc2[n-]1 ZINC001239728324 779732656 /nfs/dbraw/zinc/73/26/56/779732656.db2.gz XVPBMOGWDCYUCO-UHFFFAOYSA-N -1 1 297.314 2.810 20 0 CFADMM CCOC(=O)c1nc2ccc(-c3ccc(OC)nc3)cc2[n-]1 ZINC001239728324 779732659 /nfs/dbraw/zinc/73/26/59/779732659.db2.gz XVPBMOGWDCYUCO-UHFFFAOYSA-N -1 1 297.314 2.810 20 0 CFADMM Cc1ccc(-c2ccc(-c3nnn[n-]3)nc2)c(Cl)c1 ZINC001239862552 779830120 /nfs/dbraw/zinc/83/01/20/779830120.db2.gz DBGJBXRHQDHYRY-UHFFFAOYSA-N -1 1 271.711 2.891 20 0 CFADMM Cc1ccc(-c2ccc(-c3nn[n-]n3)nc2)c(Cl)c1 ZINC001239862552 779830129 /nfs/dbraw/zinc/83/01/29/779830129.db2.gz DBGJBXRHQDHYRY-UHFFFAOYSA-N -1 1 271.711 2.891 20 0 CFADMM COC(=O)c1nc2cc(-c3ccc4n[nH]cc4c3)ccc2[n-]1 ZINC001240211821 779995607 /nfs/dbraw/zinc/99/56/07/779995607.db2.gz SPGNWVFWPHBSIZ-UHFFFAOYSA-N -1 1 292.298 2.893 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc4n[nH]cc4c3)cc2[n-]1 ZINC001240211821 779995611 /nfs/dbraw/zinc/99/56/11/779995611.db2.gz SPGNWVFWPHBSIZ-UHFFFAOYSA-N -1 1 292.298 2.893 20 0 CFADMM Cc1cc(-c2nc(C)cc3c2C(=O)[N-]C3=O)c(C)s1 ZINC001240428039 780158646 /nfs/dbraw/zinc/15/86/46/780158646.db2.gz SVPHLVVDEPHVFI-UHFFFAOYSA-N -1 1 272.329 2.619 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3cccc(C)c3C)no2)[nH]n1 ZINC001212429716 780173321 /nfs/dbraw/zinc/17/33/21/780173321.db2.gz MPWWTVSLSZIBSS-UHFFFAOYSA-N -1 1 282.303 2.946 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3cccc(C)c3C)no2)n[n-]1 ZINC001212429716 780173327 /nfs/dbraw/zinc/17/33/27/780173327.db2.gz MPWWTVSLSZIBSS-UHFFFAOYSA-N -1 1 282.303 2.946 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3cccc(C)c3C)no2)[n-]n1 ZINC001212429716 780173332 /nfs/dbraw/zinc/17/33/32/780173332.db2.gz MPWWTVSLSZIBSS-UHFFFAOYSA-N -1 1 282.303 2.946 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3cc(C)ccc3F)no2)[nH]n1 ZINC001212429539 780173542 /nfs/dbraw/zinc/17/35/42/780173542.db2.gz INXRLBRRYUSPIN-UHFFFAOYSA-N -1 1 286.266 2.777 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3cc(C)ccc3F)no2)n[n-]1 ZINC001212429539 780173547 /nfs/dbraw/zinc/17/35/47/780173547.db2.gz INXRLBRRYUSPIN-UHFFFAOYSA-N -1 1 286.266 2.777 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3cc(C)ccc3F)no2)[n-]n1 ZINC001212429539 780173549 /nfs/dbraw/zinc/17/35/49/780173549.db2.gz INXRLBRRYUSPIN-UHFFFAOYSA-N -1 1 286.266 2.777 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ncccc3C3CC3)no2)n[n-]1 ZINC001212431501 780182292 /nfs/dbraw/zinc/18/22/92/780182292.db2.gz NGEKOUHIURNOOI-UHFFFAOYSA-N -1 1 295.302 2.602 20 0 CFADMM CC(=O)c1cc(-c2nc(-c3ncccc3C3CC3)no2)[n-]n1 ZINC001212431501 780182299 /nfs/dbraw/zinc/18/22/99/780182299.db2.gz NGEKOUHIURNOOI-UHFFFAOYSA-N -1 1 295.302 2.602 20 0 CFADMM COC(=O)c1nc2cc(-c3ccc(N)cc3F)ccc2[n-]1 ZINC001240526333 780233935 /nfs/dbraw/zinc/23/39/35/780233935.db2.gz GQHWLEFIOGVIPY-UHFFFAOYSA-N -1 1 285.278 2.738 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc(N)cc3F)cc2[n-]1 ZINC001240526333 780233939 /nfs/dbraw/zinc/23/39/39/780233939.db2.gz GQHWLEFIOGVIPY-UHFFFAOYSA-N -1 1 285.278 2.738 20 0 CFADMM Nc1c2cccnc2nn1-c1cc(F)c([O-])c(Cl)c1 ZINC001214480148 780316789 /nfs/dbraw/zinc/31/67/89/780316789.db2.gz MJJHTBFQUGHOAE-UHFFFAOYSA-N -1 1 278.674 2.501 20 0 CFADMM [O-]c1ccc(F)cc1-c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC001240695782 780366495 /nfs/dbraw/zinc/36/64/95/780366495.db2.gz RRQWXFNOYKGHSA-UHFFFAOYSA-N -1 1 298.199 2.835 20 0 CFADMM [O-]c1cccnc1-c1nc(-c2cc(F)cc(F)c2F)no1 ZINC001212480788 780395191 /nfs/dbraw/zinc/39/51/91/780395191.db2.gz ITVDANRBHBEMOQ-UHFFFAOYSA-N -1 1 293.204 2.922 20 0 CFADMM [O-]c1cccnc1-c1nc(-c2cc(F)ccc2F)no1 ZINC001212481048 780395843 /nfs/dbraw/zinc/39/58/43/780395843.db2.gz XORUKVWFXGUKOL-UHFFFAOYSA-N -1 1 275.214 2.782 20 0 CFADMM CC(C)c1nc(-c2ccc([O-])c(F)c2)nc(N(C)C)n1 ZINC001240781732 780435258 /nfs/dbraw/zinc/43/52/58/780435258.db2.gz GUKMKZUJSSIBFQ-UHFFFAOYSA-N -1 1 276.315 2.573 20 0 CFADMM COC(=O)c1c(C)cc(C)nc1-c1ccc([O-])c(F)c1 ZINC001240782357 780436451 /nfs/dbraw/zinc/43/64/51/780436451.db2.gz XASRIZJKWRIWGW-UHFFFAOYSA-N -1 1 275.279 2.997 20 0 CFADMM Cc1cc(N2CCCC2)nc(-c2ccc([O-])c(F)c2)n1 ZINC001240782540 780436939 /nfs/dbraw/zinc/43/69/39/780436939.db2.gz BCPJAYDFHQMYAF-UHFFFAOYSA-N -1 1 273.311 2.897 20 0 CFADMM CC(C)OC(=O)c1ccc(-c2ccc([O-])c(F)c2)nn1 ZINC001240783871 780438009 /nfs/dbraw/zinc/43/80/09/780438009.db2.gz ZDZAABJQGPTIPW-UHFFFAOYSA-N -1 1 276.267 2.554 20 0 CFADMM [O-]c1ccc(-c2cnc(OCC(F)(F)F)cn2)cc1F ZINC001240790478 780446455 /nfs/dbraw/zinc/44/64/55/780446455.db2.gz MCBJESYLSMEURB-UHFFFAOYSA-N -1 1 288.200 2.929 20 0 CFADMM [O-]c1ccc(-c2cnc(OCc3ccncc3)cn2)cc1F ZINC001240791269 780446475 /nfs/dbraw/zinc/44/64/75/780446475.db2.gz XHHDIPXCGUMBGC-UHFFFAOYSA-N -1 1 297.289 2.962 20 0 CFADMM Cc1nc2c[nH]cc(-c3cc(C(=O)[O-])ccc3C)c-2n1 ZINC001241003506 780586896 /nfs/dbraw/zinc/58/68/96/780586896.db2.gz QNUACIDQHFQRNR-UHFFFAOYSA-N -1 1 267.288 2.940 20 0 CFADMM Cc1nc2c(cncc2-c2cc(C(=O)[O-])ccc2C)[nH]1 ZINC001241003506 780586898 /nfs/dbraw/zinc/58/68/98/780586898.db2.gz QNUACIDQHFQRNR-UHFFFAOYSA-N -1 1 267.288 2.940 20 0 CFADMM COc1c(C)cc(-c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC001241016217 780594587 /nfs/dbraw/zinc/59/45/87/780594587.db2.gz FHISEKVPMBQRHL-UHFFFAOYSA-N -1 1 281.319 2.554 20 0 CFADMM COc1c(C)cc(-c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC001241016217 780594591 /nfs/dbraw/zinc/59/45/91/780594591.db2.gz FHISEKVPMBQRHL-UHFFFAOYSA-N -1 1 281.319 2.554 20 0 CFADMM CCOC(=O)c1cc2cnc(-c3ccc(C)cc3[O-])nc2[nH]1 ZINC001241036512 780606885 /nfs/dbraw/zinc/60/68/85/780606885.db2.gz YPXGUCVQYSKNCV-UHFFFAOYSA-N -1 1 297.314 2.767 20 0 CFADMM COCc1cc(-c2c(F)cc([O-])cc2F)nc(C)n1 ZINC001241117206 780645114 /nfs/dbraw/zinc/64/51/14/780645114.db2.gz KUFWJNBDBZWKLH-UHFFFAOYSA-N -1 1 266.247 2.582 20 0 CFADMM COc1nc(SC)ncc1-c1c(F)cc([O-])cc1F ZINC001241120585 780648241 /nfs/dbraw/zinc/64/82/41/780648241.db2.gz BLUHZEUQCMNBIU-UHFFFAOYSA-N -1 1 284.287 2.858 20 0 CFADMM CC(=O)Nc1c(C)ccnc1-c1c(F)cc([O-])cc1F ZINC001241120480 780648491 /nfs/dbraw/zinc/64/84/91/780648491.db2.gz WWODDMUHBDHSGU-UHFFFAOYSA-N -1 1 278.258 2.999 20 0 CFADMM O=C1NCCc2cccc(-c3c(F)cc([O-])cc3F)c21 ZINC001241121245 780649356 /nfs/dbraw/zinc/64/93/56/780649356.db2.gz FHKKLVXTHZGPGE-UHFFFAOYSA-N -1 1 275.254 2.623 20 0 CFADMM O=C1Cc2cc(F)c(-c3c(F)cc([O-])cc3F)cc2N1 ZINC001241120697 780649994 /nfs/dbraw/zinc/64/99/94/780649994.db2.gz HKTWKMHWVWECQN-UHFFFAOYSA-N -1 1 279.217 2.971 20 0 CFADMM CN1Cc2c(cccc2-c2c(F)cc([O-])cc2F)C1=O ZINC001241122484 780650589 /nfs/dbraw/zinc/65/05/89/780650589.db2.gz PFRRRLYGENCMHU-UHFFFAOYSA-N -1 1 275.254 2.923 20 0 CFADMM COC(=O)c1cc(-c2c(F)cc([O-])cc2F)cnc1F ZINC001241122776 780651924 /nfs/dbraw/zinc/65/19/24/780651924.db2.gz YLNYYOZHJKUMJJ-UHFFFAOYSA-N -1 1 283.205 2.658 20 0 CFADMM CCOc1ccc(C)cc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001241146069 780666435 /nfs/dbraw/zinc/66/64/35/780666435.db2.gz IUQMOAFVTRXDNR-UHFFFAOYSA-N -1 1 281.319 2.636 20 0 CFADMM CCOc1ccc(C)cc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001241146069 780666437 /nfs/dbraw/zinc/66/64/37/780666437.db2.gz IUQMOAFVTRXDNR-UHFFFAOYSA-N -1 1 281.319 2.636 20 0 CFADMM [O-]c1cc(F)cc(-c2ncc(OCC3CC3)cn2)c1 ZINC001241256375 780737687 /nfs/dbraw/zinc/73/76/87/780737687.db2.gz ROUWKYXLJOENHQ-UHFFFAOYSA-N -1 1 260.268 2.777 20 0 CFADMM [O-]c1ccc(F)c(-c2ncc3ncsc3n2)c1F ZINC001241289312 780759729 /nfs/dbraw/zinc/75/97/29/780759729.db2.gz PDXNUIPXEHWQSS-UHFFFAOYSA-N -1 1 265.244 2.737 20 0 CFADMM [O-]c1ccc(F)c(-c2cncc(OC(F)F)n2)c1F ZINC001241290627 780760062 /nfs/dbraw/zinc/76/00/62/780760062.db2.gz CDEOMRDPIXIVPN-UHFFFAOYSA-N -1 1 274.173 2.729 20 0 CFADMM CC(=O)Nc1ccc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241289381 780760070 /nfs/dbraw/zinc/76/00/70/780760070.db2.gz TYJGTDJNAZCAPQ-UHFFFAOYSA-N -1 1 264.231 2.691 20 0 CFADMM COC(=O)c1cnc(-c2c(F)ccc([O-])c2F)cc1C ZINC001241291709 780761030 /nfs/dbraw/zinc/76/10/30/780761030.db2.gz SMSWYUKVVFSQTO-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM [O-]c1ccc(F)c(-c2ccc(-n3cccc3)nn2)c1F ZINC001241291648 780761807 /nfs/dbraw/zinc/76/18/07/780761807.db2.gz PBTNMZSCIRVNLC-UHFFFAOYSA-N -1 1 273.242 2.918 20 0 CFADMM CCCOc1cccc(-c2nc(C)cc3c2C(=O)[N-]C3=O)c1 ZINC001241589113 781000897 /nfs/dbraw/zinc/00/08/97/781000897.db2.gz SJMKCRCFLQGPKN-UHFFFAOYSA-N -1 1 296.326 2.729 20 0 CFADMM Cc1[nH]nc2ccc(-c3ccccc3S(=O)(=O)[O-])cc12 ZINC001241668524 781061253 /nfs/dbraw/zinc/06/12/53/781061253.db2.gz DDZKJEXFRIDLIW-UHFFFAOYSA-N -1 1 288.328 2.785 20 0 CFADMM O=C([O-])CCC1CCN(Cc2ccc(Cl)cn2)CC1 ZINC000703859210 781071401 /nfs/dbraw/zinc/07/14/01/781071401.db2.gz ONOPJVPAWOKVOY-UHFFFAOYSA-N -1 1 282.771 2.812 20 0 CFADMM Cc1cc(-c2cncc(C(=O)[O-])c2)cc2nc[nH]c21 ZINC001241803310 781134285 /nfs/dbraw/zinc/13/42/85/781134285.db2.gz PWAWMXUOOKATMD-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM COc1ccc(-c2c[nH]cc3nc(C)nc2-3)cc1C(=O)[O-] ZINC001241880973 781162919 /nfs/dbraw/zinc/16/29/19/781162919.db2.gz YRRRMUGGIHZOCG-UHFFFAOYSA-N -1 1 283.287 2.640 20 0 CFADMM COc1ccc(-c2cncc3[nH]c(C)nc32)cc1C(=O)[O-] ZINC001241880973 781162926 /nfs/dbraw/zinc/16/29/26/781162926.db2.gz YRRRMUGGIHZOCG-UHFFFAOYSA-N -1 1 283.287 2.640 20 0 CFADMM FC(F)Oc1ccccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001241951628 781202677 /nfs/dbraw/zinc/20/26/77/781202677.db2.gz DQEVLOARQAXLGP-UHFFFAOYSA-N -1 1 289.245 2.530 20 0 CFADMM FC(F)Oc1ccccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001241951628 781202683 /nfs/dbraw/zinc/20/26/83/781202683.db2.gz DQEVLOARQAXLGP-UHFFFAOYSA-N -1 1 289.245 2.530 20 0 CFADMM CO[C@H](C)c1cccc(-c2nc(C)cc3c2C(=O)[N-]C3=O)c1 ZINC001242024361 781238331 /nfs/dbraw/zinc/23/83/31/781238331.db2.gz YJAGKTNKZZJFFZ-SNVBAGLBSA-N -1 1 296.326 2.648 20 0 CFADMM C[C@@]1(C(F)(F)F)CCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000708929069 781285431 /nfs/dbraw/zinc/28/54/31/781285431.db2.gz SUTCLYYOKOFOGE-LLVKDONJSA-N -1 1 277.242 2.752 20 0 CFADMM O=C1Cc2cnc(-c3cc(C(F)(F)F)ccc3[O-])cc2N1 ZINC001242131242 781294878 /nfs/dbraw/zinc/29/48/78/781294878.db2.gz BPEGEBZZEVVGCI-UHFFFAOYSA-N -1 1 294.232 2.968 20 0 CFADMM Cc1ccc(C(N)=O)c(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242132316 781295614 /nfs/dbraw/zinc/29/56/14/781295614.db2.gz QSCSCPLKVULPON-UHFFFAOYSA-N -1 1 296.248 2.880 20 0 CFADMM CN(C)c1nccnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242151313 781303162 /nfs/dbraw/zinc/30/31/62/781303162.db2.gz JRAXOYXBEDUKFQ-UHFFFAOYSA-N -1 1 283.253 2.934 20 0 CFADMM CNC(=O)c1cccnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242152294 781304147 /nfs/dbraw/zinc/30/41/47/781304147.db2.gz CCGPLOHXPOCOKT-UHFFFAOYSA-N -1 1 296.248 2.833 20 0 CFADMM O=c1cc(-c2ccc(F)cc2[O-])cnn1Cc1ccccc1 ZINC001242217067 781332528 /nfs/dbraw/zinc/33/25/28/781332528.db2.gz KUEVRYMZKJHNPJ-UHFFFAOYSA-N -1 1 296.301 2.803 20 0 CFADMM COc1nc(SC)ncc1-c1ccc(F)cc1[O-] ZINC001242220568 781335463 /nfs/dbraw/zinc/33/54/63/781335463.db2.gz FHWVXGXVPWPMSC-UHFFFAOYSA-N -1 1 266.297 2.719 20 0 CFADMM Cc1c2[nH]cnc2ccc1-c1ccc(C(=O)[O-])nc1 ZINC001242335803 781406465 /nfs/dbraw/zinc/40/64/65/781406465.db2.gz PAOVBMOPLXTWLC-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM CC[C@H]1CN(Cc2cc(C(=O)[O-])cs2)[C@@H](CC)CO1 ZINC000711392078 781420300 /nfs/dbraw/zinc/42/03/00/781420300.db2.gz GWESHFKHAOAJST-RYUDHWBXSA-N -1 1 283.393 2.836 20 0 CFADMM O=C([O-])c1csc(CN2CCC(F)(F)CC2)c1 ZINC000711395397 781421349 /nfs/dbraw/zinc/42/13/49/781421349.db2.gz XFEAYRCPUUFRPT-UHFFFAOYSA-N -1 1 261.293 2.677 20 0 CFADMM Cc1cc(-c2cccc(Cl)c2[O-])cnc1C(N)=O ZINC001242366992 781438808 /nfs/dbraw/zinc/43/88/08/781438808.db2.gz GGGMLFJLEXJJTF-UHFFFAOYSA-N -1 1 262.696 2.515 20 0 CFADMM [O-]c1c(Cl)cccc1-c1cccc(-c2nn[nH]n2)c1 ZINC001242366399 781439200 /nfs/dbraw/zinc/43/92/00/781439200.db2.gz WTECEFAKTQJQKV-UHFFFAOYSA-N -1 1 272.695 2.893 20 0 CFADMM COC(=O)[C@@H](N)c1ccc(-c2cccc(Cl)c2[O-])cc1 ZINC001242366454 781439291 /nfs/dbraw/zinc/43/92/91/781439291.db2.gz XUNKBIDQPAMYAI-ZDUSSCGKSA-N -1 1 291.734 2.885 20 0 CFADMM FC(F)Oc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001242440910 781506172 /nfs/dbraw/zinc/50/61/72/781506172.db2.gz LQPWBMSWPGKTIW-UHFFFAOYSA-N -1 1 289.245 2.530 20 0 CFADMM FC(F)Oc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001242440910 781506180 /nfs/dbraw/zinc/50/61/80/781506180.db2.gz LQPWBMSWPGKTIW-UHFFFAOYSA-N -1 1 289.245 2.530 20 0 CFADMM Cc1cc2c(c(-c3cnc4sccc4c3)n1)C(=O)[N-]C2=O ZINC001242681071 781695919 /nfs/dbraw/zinc/69/59/19/781695919.db2.gz ZAKTYHXZOQQHPU-UHFFFAOYSA-N -1 1 295.323 2.550 20 0 CFADMM CCc1cc(OC)ccc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001242700649 781703853 /nfs/dbraw/zinc/70/38/53/781703853.db2.gz QASDBTBAYQHGQC-UHFFFAOYSA-N -1 1 295.338 2.737 20 0 CFADMM CCOC(=O)c1c(C)ncnc1-c1cccc([O-])c1Cl ZINC001242797427 781763708 /nfs/dbraw/zinc/76/37/08/781763708.db2.gz IKFGJHGNKCCFRQ-UHFFFAOYSA-N -1 1 292.722 2.988 20 0 CFADMM COc1c(C(=O)[O-])cccc1-c1cccc2nc[nH]c21 ZINC001242922885 781844363 /nfs/dbraw/zinc/84/43/63/781844363.db2.gz QJUKKDRQNMMOJA-UHFFFAOYSA-N -1 1 268.272 2.937 20 0 CFADMM Clc1cc2[n-]c(O[C@H]3CCCOC3)nc2c(Cl)n1 ZINC001231045387 781895860 /nfs/dbraw/zinc/89/58/60/781895860.db2.gz WDAKNCJHIJJKFC-LURJTMIESA-N -1 1 288.134 2.823 20 0 CFADMM Clc1cc2nc(O[C@H]3CCCOC3)[n-]c2c(Cl)n1 ZINC001231045387 781895866 /nfs/dbraw/zinc/89/58/66/781895866.db2.gz WDAKNCJHIJJKFC-LURJTMIESA-N -1 1 288.134 2.823 20 0 CFADMM CC[C@H](C)C[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000822600440 781907034 /nfs/dbraw/zinc/90/70/34/781907034.db2.gz TXSMKUQAFCQHJY-VHSXEESVSA-N -1 1 277.368 2.614 20 0 CFADMM C[C@@]1(O)CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000127651017 187323766 /nfs/dbraw/zinc/32/37/66/187323766.db2.gz GSCXNPOLRRCPHG-QGZVFWFLSA-N -1 1 285.343 2.532 20 0 CFADMM CS[C@@H]1CCC[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000125151280 187171713 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348198848 /nfs/dbraw/zinc/19/88/48/348198848.db2.gz TWFZJUYXGYOVNX-VHRBIJSZSA-N -1 1 294.420 2.781 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c(F)c1 ZINC000404983122 539626398 /nfs/dbraw/zinc/62/63/98/539626398.db2.gz OTYUYQUULZUXPI-NSHDSACASA-N -1 1 293.310 2.600 20 0 CFADMM C[C@@]1(CCCO)CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000273355520 192124433 /nfs/dbraw/zinc/12/44/33/192124433.db2.gz UWQUWZRZNBKEPD-HNNXBMFYSA-N -1 1 297.782 2.813 20 0 CFADMM CC(C)(NC(=O)c1ccc([O-])cc1F)C(F)(F)F ZINC000393855008 348547182 /nfs/dbraw/zinc/54/71/82/348547182.db2.gz KUKNPXIHSMXAGM-UHFFFAOYSA-N -1 1 265.206 2.602 20 0 CFADMM CCOc1cc(C(=O)N(C)CC2CC2)cc(Cl)c1[O-] ZINC000273953848 192376437 /nfs/dbraw/zinc/37/64/37/192376437.db2.gz NFOYFOINBBAEMH-UHFFFAOYSA-N -1 1 283.755 2.926 20 0 CFADMM CSC[C@@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000590461841 348901735 /nfs/dbraw/zinc/90/17/35/348901735.db2.gz NLBJZJWGZZJLEH-SNVBAGLBSA-N -1 1 283.368 2.747 20 0 CFADMM Cc1cnccc1CCN1Cc2ccc(C(=O)[O-])cc2C1 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CC(C)(C)OC(=O)C(C)(C)C(=O)Nc1cccc(F)c1[O-] ZINC000600445967 350556350 /nfs/dbraw/zinc/55/63/50/350556350.db2.gz PVHMIHMVTYKISZ-UHFFFAOYSA-N -1 1 297.326 2.838 20 0 CFADMM COc1ccc(C)cc1[C@@H](C)NC(=O)c1cncc([O-])c1 ZINC000109042697 186240732 /nfs/dbraw/zinc/24/07/32/186240732.db2.gz NMXCHQYCQMZNDH-LLVKDONJSA-N -1 1 286.331 2.595 20 0 CFADMM CN(Cc1ccccc1Cl)C(=O)c1cncc([O-])c1 ZINC000109040767 186240871 /nfs/dbraw/zinc/24/08/71/186240871.db2.gz QUYQYFKZWPEQRU-UHFFFAOYSA-N -1 1 276.723 2.713 20 0 CFADMM O=C(Nc1cccc2c1CCCC2)c1cncc([O-])c1 ZINC000109040538 186241207 /nfs/dbraw/zinc/24/12/07/186241207.db2.gz LHHXFXVWAVHEJK-UHFFFAOYSA-N -1 1 268.316 2.918 20 0 CFADMM CCC(CC)CN(CC)C(=O)c1cncc([O-])c1 ZINC000109040800 186241703 /nfs/dbraw/zinc/24/17/03/186241703.db2.gz UYANFBZSYBUXML-UHFFFAOYSA-N -1 1 250.342 2.686 20 0 CFADMM CCc1sc(C(=O)Nc2ccncc2[O-])cc1C ZINC000109888956 186277380 /nfs/dbraw/zinc/27/73/80/186277380.db2.gz KVCMJNZSVHRTGX-UHFFFAOYSA-N -1 1 262.334 2.972 20 0 CFADMM O=C(CSc1ccc(F)cc1)Nc1ccncc1[O-] ZINC000109890687 186278035 /nfs/dbraw/zinc/27/80/35/186278035.db2.gz QFPOKWRIGLMJMX-UHFFFAOYSA-N -1 1 278.308 2.657 20 0 CFADMM Cc1cccc(C(C)(C)CNC(=O)c2cncc([O-])c2)c1 ZINC000109959590 186280472 /nfs/dbraw/zinc/28/04/72/186280472.db2.gz KHOKILZQZSREGG-UHFFFAOYSA-N -1 1 284.359 2.803 20 0 CFADMM CCSC1(CNC(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000601670109 350756774 /nfs/dbraw/zinc/75/67/74/350756774.db2.gz JGZCCQNRAGEQSW-UHFFFAOYSA-N -1 1 299.823 2.990 20 0 CFADMM CC[C@@H](CSC)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601411052 350731121 /nfs/dbraw/zinc/73/11/21/350731121.db2.gz MREVTIFVJQUDLR-JTQLQIEISA-N -1 1 287.812 2.846 20 0 CFADMM CC(C)SCCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601577934 350741577 /nfs/dbraw/zinc/74/15/77/350741577.db2.gz OLMVOPGTWZHTAN-UHFFFAOYSA-N -1 1 287.812 2.846 20 0 CFADMM COC(=O)c1cc(-n2[n-]c3c(c2=O)[C@H](C)CC3)ccc1C ZINC000601949898 350816720 /nfs/dbraw/zinc/81/67/20/350816720.db2.gz LQWWGDKWWGSFGY-QMTHXVAHSA-N -1 1 286.331 2.530 20 0 CFADMM COC(=O)c1cccc(-n2[n-]c3c(c2=O)[C@@H](C)CC3)c1C ZINC000601951496 350817838 /nfs/dbraw/zinc/81/78/38/350817838.db2.gz ZBWOMTZWUZTXFS-LKFCYVNXSA-N -1 1 286.331 2.530 20 0 CFADMM CCCc1ccccc1NC(=O)c1cncc([O-])c1 ZINC000111739489 186452713 /nfs/dbraw/zinc/45/27/13/186452713.db2.gz HEIKBLVILTYVNK-UHFFFAOYSA-N -1 1 256.305 2.992 20 0 CFADMM Cc1cccc2c1CCCN2C(=O)c1ccc(O)cc1[O-] ZINC000603851649 351186632 /nfs/dbraw/zinc/18/66/32/351186632.db2.gz WWYSCJDOFSUIMP-UHFFFAOYSA-N -1 1 283.327 2.999 20 0 CFADMM COc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000605440584 351246492 /nfs/dbraw/zinc/24/64/92/351246492.db2.gz WIAZGTWYKBCBFH-UHFFFAOYSA-N -1 1 261.252 2.792 20 0 CFADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1c([O-])cccc1F ZINC000605439320 351246881 /nfs/dbraw/zinc/24/68/81/351246881.db2.gz VYVQJYKHJVCEPD-MRVPVSSYSA-N -1 1 291.326 2.624 20 0 CFADMM CCCC[C@H](CC)CC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000605530114 351252510 /nfs/dbraw/zinc/25/25/10/351252510.db2.gz IKDNMDKSBFOQRB-LBPRGKRZSA-N -1 1 293.415 2.692 20 0 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299.754 2.570 20 0 CFADMM CO[C@@H](C)CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000184092990 189375910 /nfs/dbraw/zinc/37/59/10/189375910.db2.gz RQRUWEOAXWKQNX-QMMMGPOBSA-N -1 1 257.717 2.799 20 0 CFADMM Cc1nn(C(C)C)cc1CNCc1cccc(C(=O)[O-])c1 ZINC000666584307 541114195 /nfs/dbraw/zinc/11/41/95/541114195.db2.gz PZAAHCAPUOWQAA-UHFFFAOYSA-N -1 1 287.363 2.760 20 0 CFADMM CCc1nocc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000666972036 541169566 /nfs/dbraw/zinc/16/95/66/541169566.db2.gz NXAORTJUAJTZQW-UHFFFAOYSA-N -1 1 280.353 2.638 20 0 CFADMM CC(C)c1noc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1 ZINC000135038163 541235187 /nfs/dbraw/zinc/23/51/87/541235187.db2.gz ZPDALRMDVQSAKJ-NSHDSACASA-N -1 1 295.383 2.516 20 0 CFADMM C[C@]1(C(=O)Nc2ccc([O-])c(Cl)c2)C[C@H]2CC[C@@H]1O2 ZINC000189666387 189542277 /nfs/dbraw/zinc/54/22/77/189542277.db2.gz ALCSIVKKTLPMHG-LQJRIPTKSA-N -1 1 281.739 2.942 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCSC[C@H]1C1CCC1 ZINC000668061738 541377527 /nfs/dbraw/zinc/37/75/27/541377527.db2.gz 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C[C@@](Cc1ccccc1)(NC(=O)c1cncc([O-])c1)C1CC1 ZINC000457058828 244374858 /nfs/dbraw/zinc/37/48/58/244374858.db2.gz YVFISWWWIZDKTJ-SFHVURJKSA-N -1 1 296.370 2.928 20 0 CFADMM Cc1[nH]nc(C(=O)Nc2cc(F)ccc2NC(C)C)c1[O-] ZINC000676707771 541779567 /nfs/dbraw/zinc/77/95/67/541779567.db2.gz JBIBSSYEOKIBQW-UHFFFAOYSA-N -1 1 292.314 2.635 20 0 CFADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)o1 ZINC000276371829 193304749 /nfs/dbraw/zinc/30/47/49/193304749.db2.gz CCUVTKXBPCJYST-LBPRGKRZSA-N -1 1 265.334 2.955 20 0 CFADMM CC(=O)CC(C)(C)CC(=O)Nc1ccc(F)cc1[O-] ZINC000276522699 193367418 /nfs/dbraw/zinc/36/74/18/193367418.db2.gz JUAIOJAIHHUBGH-UHFFFAOYSA-N -1 1 267.300 2.865 20 0 CFADMM O=C(N[C@H]1CCCc2c(F)cccc21)c1cncc([O-])c1 ZINC000452187308 284183707 /nfs/dbraw/zinc/18/37/07/284183707.db2.gz DDWYETYDOZZKCN-HNNXBMFYSA-N -1 1 286.306 2.734 20 0 CFADMM C[C@H]1C[C@H](c2noc(-c3cc(F)ccc3[O-])n2)CCO1 ZINC000331684749 204072966 /nfs/dbraw/zinc/07/29/66/204072966.db2.gz QYZKLXOIHDYJPF-DTWKUNHWSA-N -1 1 278.283 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299.378 2.722 20 0 CFADMM O=C(CC1(CCc2ccccc2)CCCC1)Nc1nn[n-]n1 ZINC000113417696 376015016 /nfs/dbraw/zinc/01/50/16/376015016.db2.gz MEOGPTKOUSXGEY-UHFFFAOYSA-N -1 1 299.378 2.722 20 0 CFADMM CC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000118950804 376326587 /nfs/dbraw/zinc/32/65/87/376326587.db2.gz LFODNNYWGIUVEL-NSHDSACASA-N -1 1 288.372 2.815 20 0 CFADMM C[C@H]1CC[C@H](C)N1C(=O)c1c[nH]c2ccccc2c1=O ZINC000119304332 376388543 /nfs/dbraw/zinc/38/85/43/376388543.db2.gz ZTDFHEMQTMZBMK-QWRGUYRKSA-N -1 1 270.332 2.541 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c(C)o1 ZINC000678940246 542097189 /nfs/dbraw/zinc/09/71/89/542097189.db2.gz FNJVNIFLWGKLQQ-UHFFFAOYSA-N -1 1 297.380 2.718 20 0 CFADMM CCCc1csc(NC([O-])=NO[C@@H]2CCCCO2)n1 ZINC000121268115 376792848 /nfs/dbraw/zinc/79/28/48/376792848.db2.gz IVHFKVGPAZXMBO-SNVBAGLBSA-N -1 1 285.369 2.675 20 0 CFADMM CCCc1csc(NC(=O)[N-]O[C@@H]2CCCCO2)n1 ZINC000121268115 376792855 /nfs/dbraw/zinc/79/28/55/376792855.db2.gz 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/nfs/dbraw/zinc/84/59/76/193845976.db2.gz MHFCMFHSUSKZIS-ZETCQYMHSA-N -1 1 268.313 2.875 20 0 CFADMM COc1cc(C(=O)N[C@@H]2C[C@H]2C2CC2)cc(Cl)c1[O-] ZINC000571723357 383721140 /nfs/dbraw/zinc/72/11/40/383721140.db2.gz FXJVSMUEOVBEQW-GXSJLCMTSA-N -1 1 281.739 2.583 20 0 CFADMM O=C(N[C@H]1CCOC2(CCCC2)C1)c1c([O-])cccc1F ZINC000130242231 377526309 /nfs/dbraw/zinc/52/63/09/377526309.db2.gz GLFMPSNGTAZQKP-NSHDSACASA-N -1 1 293.338 2.753 20 0 CFADMM CC[C@@H]1CCCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000130818660 377617952 /nfs/dbraw/zinc/61/79/52/377617952.db2.gz JILLFLMXGNCRPH-GFCCVEGCSA-N -1 1 299.374 2.906 20 0 CFADMM CC[C@@H]1CCCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000130818660 377617960 /nfs/dbraw/zinc/61/79/60/377617960.db2.gz JILLFLMXGNCRPH-GFCCVEGCSA-N -1 1 299.374 2.906 20 0 CFADMM Cc1cnc([C@H](C)CNC(=O)c2c([O-])cccc2F)s1 ZINC000131925522 377780245 /nfs/dbraw/zinc/78/02/45/377780245.db2.gz QKUWJXKJVNXXPM-MRVPVSSYSA-N -1 1 294.351 2.830 20 0 CFADMM O=C(NC1(c2cccc(Cl)c2)CC1)c1cncc([O-])c1 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Cc1ccc2c([O-])c(C(=O)N3C[C@@H]4CCC[C@H]4C3)cnc2n1 ZINC000155176333 378614660 /nfs/dbraw/zinc/61/46/60/378614660.db2.gz MIWYZSJZJKKQEJ-RYUDHWBXSA-N -1 1 297.358 2.516 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1C[C@@H]3CCC[C@H]3C1)c2=O ZINC000155176333 378614661 /nfs/dbraw/zinc/61/46/61/378614661.db2.gz MIWYZSJZJKKQEJ-RYUDHWBXSA-N -1 1 297.358 2.516 20 0 CFADMM CCC[C@@H]1CCCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000331250907 378658483 /nfs/dbraw/zinc/65/84/83/378658483.db2.gz WZQZWMBHUVBZTJ-GFCCVEGCSA-N -1 1 275.348 2.614 20 0 CFADMM COc1cc(C(=O)NCC2(C)CC2)cc(Cl)c1[O-] ZINC000332154274 378730820 /nfs/dbraw/zinc/73/08/20/378730820.db2.gz PISDXKORZOVVBZ-UHFFFAOYSA-N -1 1 269.728 2.584 20 0 CFADMM C[C@H]1CCCC[C@]1(C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000332601597 378779111 /nfs/dbraw/zinc/77/91/11/378779111.db2.gz NMEOXVPUBBEPIY-GTNSWQLSSA-N -1 1 299.374 2.622 20 0 CFADMM O=C(C(=O)N1CC[C@H]1c1ccccc1)c1ccc([O-])cc1 ZINC000334294579 379047445 /nfs/dbraw/zinc/04/74/45/379047445.db2.gz 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379782028 /nfs/dbraw/zinc/78/20/28/379782028.db2.gz ZHYHIUJHCGXUTD-UHFFFAOYSA-N -1 1 255.245 2.984 20 0 CFADMM O=C(Cc1ncccc1F)Nc1ccc([O-])c(Cl)c1 ZINC000335764772 379851295 /nfs/dbraw/zinc/85/12/95/379851295.db2.gz QJGNNZSQCBWQMS-UHFFFAOYSA-N -1 1 280.686 2.761 20 0 CFADMM Cc1ccc(CC(=O)Nc2ccc(F)cc2[O-])cc1O ZINC000335812115 379928581 /nfs/dbraw/zinc/92/85/81/379928581.db2.gz SRFBAABJFQACED-UHFFFAOYSA-N -1 1 275.279 2.727 20 0 CFADMM C[C@@H]1CCCCCN1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000336531193 296304694 /nfs/dbraw/zinc/30/46/94/296304694.db2.gz XCYAFXQYDYUDTP-SNVBAGLBSA-N -1 1 279.409 2.544 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)[C@]12C[C@H]1CCC2 ZINC000335207929 380009152 /nfs/dbraw/zinc/00/91/52/380009152.db2.gz BPMRHXROTXLUPE-FUXBKTLASA-N -1 1 253.248 2.799 20 0 CFADMM O=C(Nc1cc(F)ccc1O)c1c(F)ccc([O-])c1F ZINC000335860611 380010612 /nfs/dbraw/zinc/01/06/12/380010612.db2.gz MVQMCZCIIRJFNR-UHFFFAOYSA-N -1 1 283.205 2.767 20 0 CFADMM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000335208345 380010774 /nfs/dbraw/zinc/01/07/74/380010774.db2.gz CMPRKLNJSDBZNK-HZMBPMFUSA-N -1 1 269.291 2.835 20 0 CFADMM CCC1(C(=O)Nc2ccc([O-])c(F)c2F)CCOCC1 ZINC000335213499 380018772 /nfs/dbraw/zinc/01/87/72/380018772.db2.gz CCHMFNVFQUAYLJ-UHFFFAOYSA-N -1 1 285.290 2.816 20 0 CFADMM C[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)C(C)(F)F ZINC000335214398 380019919 /nfs/dbraw/zinc/01/99/19/380019919.db2.gz FZOBLNBEOCIDGI-YFKPBYRVSA-N -1 1 265.206 2.900 20 0 CFADMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000335869524 380024649 /nfs/dbraw/zinc/02/46/49/380024649.db2.gz AUIBNNKLSIEVLG-UHFFFAOYSA-N -1 1 296.779 2.985 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@@H](C2CCC2)C1 ZINC000335237420 380059751 /nfs/dbraw/zinc/05/97/51/380059751.db2.gz XSJXVPWLLSKRMY-CQSZACIVSA-N -1 1 295.766 2.687 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@H](C2CCC2)C1 ZINC000335237419 380059945 /nfs/dbraw/zinc/05/99/45/380059945.db2.gz XSJXVPWLLSKRMY-AWEZNQCLSA-N -1 1 295.766 2.687 20 0 CFADMM COCC1(C)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000335245461 380073569 /nfs/dbraw/zinc/07/35/69/380073569.db2.gz WZJOWVYNXCQBTL-UHFFFAOYSA-N -1 1 285.343 2.654 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC000336023454 380252618 /nfs/dbraw/zinc/25/26/18/380252618.db2.gz ANPJHPGFPFELMQ-HNNXBMFYSA-N -1 1 296.370 2.800 20 0 CFADMM O=C([N-]CCc1cc(F)cc(F)c1)C(F)(F)C(F)F ZINC000176313057 380212494 /nfs/dbraw/zinc/21/24/94/380212494.db2.gz FDFZWVZUDYERMX-UHFFFAOYSA-N -1 1 285.187 2.524 20 0 CFADMM Cc1noc(C)c1[N-]C(=O)c1c(F)cc(F)cc1F ZINC000336012020 380235552 /nfs/dbraw/zinc/23/55/52/380235552.db2.gz QOPSYLLBALXJIT-UHFFFAOYSA-N -1 1 270.210 2.961 20 0 CFADMM C[C@@H](O)C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000279119502 194292923 /nfs/dbraw/zinc/29/29/23/194292923.db2.gz ACKVFZIHSSTDBS-ZYHUDNBSSA-N -1 1 297.782 2.811 20 0 CFADMM COCC1(C)CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000336615364 380552887 /nfs/dbraw/zinc/55/28/87/380552887.db2.gz SWXYRBIIHSNLPF-UHFFFAOYSA-N -1 1 297.782 2.934 20 0 CFADMM Cc1cccc(O)c1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000179541721 380555052 /nfs/dbraw/zinc/55/50/52/380555052.db2.gz ADJLOHBYYWMWBK-UHFFFAOYSA-N -1 1 284.359 2.771 20 0 CFADMM O=C(NCc1ccoc1)c1ccc(Br)c([O-])c1 ZINC000179614355 380564593 /nfs/dbraw/zinc/56/45/93/380564593.db2.gz KBDMXUMDHLAYOL-UHFFFAOYSA-N -1 1 296.120 2.678 20 0 CFADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(C)cc2C)c1C ZINC000336622978 380566891 /nfs/dbraw/zinc/56/68/91/380566891.db2.gz KBAUKCGIJSCSQV-UHFFFAOYSA-N -1 1 293.392 2.698 20 0 CFADMM COc1ccc(NC(=O)c2ccc([O-])cc2F)c(OC)c1 ZINC000181044453 380729278 /nfs/dbraw/zinc/72/92/78/380729278.db2.gz OBVNIANLNUMBJY-UHFFFAOYSA-N -1 1 291.278 2.801 20 0 CFADMM CC[C@H]1CCC[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000287413904 380826762 /nfs/dbraw/zinc/82/67/62/380826762.db2.gz AQKZKKJGLWRHGQ-WCQYABFASA-N -1 1 275.348 2.660 20 0 CFADMM [O-]c1cccc(CN(CCCO)CC(F)(F)F)c1Cl ZINC000295401311 380830581 /nfs/dbraw/zinc/83/05/81/380830581.db2.gz QSUXFFNIXIUQCM-UHFFFAOYSA-N -1 1 297.704 2.792 20 0 CFADMM C[C@H](c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ncn[n-]1 ZINC000287460432 380837602 /nfs/dbraw/zinc/83/76/02/380837602.db2.gz ITOAACBLFKRNPW-SNVBAGLBSA-N -1 1 293.392 2.637 20 0 CFADMM C[C@H](c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1nc[n-]n1 ZINC000287460432 380837609 /nfs/dbraw/zinc/83/76/09/380837609.db2.gz ITOAACBLFKRNPW-SNVBAGLBSA-N -1 1 293.392 2.637 20 0 CFADMM C[C@H](CN(C)C(=O)c1cncc([O-])c1)C(C)(C)C ZINC000399687026 380843215 /nfs/dbraw/zinc/84/32/15/380843215.db2.gz FAPXPRTUBHYBLY-SNVBAGLBSA-N -1 1 250.342 2.541 20 0 CFADMM C[C@@H]([N-]C(=O)C(F)F)c1c(F)cccc1Cl ZINC000279248061 194350714 /nfs/dbraw/zinc/35/07/14/194350714.db2.gz UDEBXRWNCNCWRZ-RXMQYKEDSA-N -1 1 251.635 2.921 20 0 CFADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)c1ccccc1 ZINC000358555815 380922387 /nfs/dbraw/zinc/92/23/87/380922387.db2.gz JKFUJOPJNUCLBQ-NWDGAFQWSA-N -1 1 270.332 2.709 20 0 CFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)o1 ZINC000358556848 380922793 /nfs/dbraw/zinc/92/27/93/380922793.db2.gz RKUNRQYTNDKGID-UHFFFAOYSA-N -1 1 291.332 2.574 20 0 CFADMM C[C@@H](CCCCO)NC(=O)c1ccc2ccccc2c1[O-] ZINC000295602197 380967214 /nfs/dbraw/zinc/96/72/14/380967214.db2.gz YCLXILPMEROFBE-LBPRGKRZSA-N -1 1 287.359 2.826 20 0 CFADMM C[C@@H](CCC(C)(C)C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000287920796 380972298 /nfs/dbraw/zinc/97/22/98/380972298.db2.gz IXNWABDBZNSFRW-NSHDSACASA-N -1 1 277.364 2.906 20 0 CFADMM CCCC[C@@H](CC)CC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000279281772 194366962 /nfs/dbraw/zinc/36/69/62/194366962.db2.gz WXMGRMYCJQAMTL-NODXGKJPSA-N -1 1 288.395 2.887 20 0 CFADMM CC[C@H](NC(=O)c1ncc(C)cc1[O-])c1nc(C)cs1 ZINC000358642386 380986957 /nfs/dbraw/zinc/98/69/57/380986957.db2.gz ZHWDZEIOMLHZIM-JTQLQIEISA-N -1 1 291.376 2.742 20 0 CFADMM O=c1cc(C(F)F)nc(SCC[C@H]2CCCO2)[n-]1 ZINC000289566138 381046394 /nfs/dbraw/zinc/04/63/94/381046394.db2.gz PZJVYPACTBEDLV-SSDOTTSWSA-N -1 1 276.308 2.781 20 0 CFADMM CC(C)C[C@]1(C)CCCN1C(=O)c1cncc([O-])c1 ZINC000295754018 381056195 /nfs/dbraw/zinc/05/61/95/381056195.db2.gz IXDJORDSGZWSDZ-HNNXBMFYSA-N -1 1 262.353 2.828 20 0 CFADMM CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)ccc1[O-] ZINC000368554764 381064619 /nfs/dbraw/zinc/06/46/19/381064619.db2.gz MXJIINUTVKGFTD-YWXMQNBFSA-N -1 1 295.766 2.564 20 0 CFADMM O=C(NC[C@@H]1CCC(F)(F)C1)c1c(F)ccc([O-])c1F ZINC000289613775 381067393 /nfs/dbraw/zinc/06/73/93/381067393.db2.gz XJXQFLFBZTWJPD-SSDOTTSWSA-N -1 1 291.244 2.836 20 0 CFADMM CO[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1(C)C ZINC000295780245 381070515 /nfs/dbraw/zinc/07/05/15/381070515.db2.gz CYUMTSFEZNACPD-CYBMUJFWSA-N -1 1 297.782 2.933 20 0 CFADMM O=c1cc(CN(CC(F)F)C2CC2)c2ccc([O-])cc2o1 ZINC000182250278 381038936 /nfs/dbraw/zinc/03/89/36/381038936.db2.gz SEPWDEJQROTPLT-UHFFFAOYSA-N -1 1 295.285 2.728 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)NCc3cccs3)cnc2n1 ZINC000341664252 381159659 /nfs/dbraw/zinc/15/96/59/381159659.db2.gz ZVWRKJMPSOTSRO-UHFFFAOYSA-N -1 1 299.355 2.635 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1cccs1)c2=O ZINC000341664252 381159667 /nfs/dbraw/zinc/15/96/67/381159667.db2.gz ZVWRKJMPSOTSRO-UHFFFAOYSA-N -1 1 299.355 2.635 20 0 CFADMM O=C(Nc1ccccc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182863096 381174421 /nfs/dbraw/zinc/17/44/21/381174421.db2.gz UJYNWACBKLUMQV-UHFFFAOYSA-N -1 1 290.706 2.623 20 0 CFADMM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182875722 381177122 /nfs/dbraw/zinc/17/71/22/381177122.db2.gz QGGKPXWPLGNMOL-KCJUWKMLSA-N -1 1 281.739 2.989 20 0 CFADMM C[C@H]1CN(Cc2c(F)ccc([O-])c2F)CC[N@@H+](C2CC2)C1 ZINC000295978202 381194137 /nfs/dbraw/zinc/19/41/37/381194137.db2.gz JDGAAQXFOMOHNV-NSHDSACASA-N -1 1 296.361 2.587 20 0 CFADMM CN(C(=O)c1cccc2nn[nH]c21)C1CCCCCC1 ZINC000183360464 381259311 /nfs/dbraw/zinc/25/93/11/381259311.db2.gz UNLVNBXHVHDXNK-UHFFFAOYSA-N -1 1 272.352 2.753 20 0 CFADMM CC[C@](C)(OC)c1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000290017991 381262695 /nfs/dbraw/zinc/26/26/95/381262695.db2.gz DXQZUSSQZBQJJO-AWEZNQCLSA-N -1 1 288.307 2.991 20 0 CFADMM O=C(NC[C@H]1CCC[C@H]1C1CC1)C(=O)c1ccc([O-])cc1 ZINC000412456787 381305987 /nfs/dbraw/zinc/30/59/87/381305987.db2.gz BJRAWIKFJFJFIY-HIFRSBDPSA-N -1 1 287.359 2.517 20 0 CFADMM C[C@@H]1C[C@H](CNC(=O)c2ccc(Cl)cc2[O-])[C@H](C)O1 ZINC000412639396 381378239 /nfs/dbraw/zinc/37/82/39/381378239.db2.gz KFVQEDPPPNPREQ-KXUCPTDWSA-N -1 1 283.755 2.589 20 0 CFADMM CCC[C@@H](NC(=O)c1ccc(C(C)C)s1)c1nn[n-]n1 ZINC000184009254 381354189 /nfs/dbraw/zinc/35/41/89/381354189.db2.gz PRDDRAQIGBCFBW-SECBINFHSA-N -1 1 293.396 2.656 20 0 CFADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)OCC1CC1 ZINC000412626303 381372169 /nfs/dbraw/zinc/37/21/69/381372169.db2.gz CEUGKOFORRTZDO-UHFFFAOYSA-N -1 1 299.317 2.605 20 0 CFADMM CC[C@H](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000184214052 381386458 /nfs/dbraw/zinc/38/64/58/381386458.db2.gz YPNIGQKKWOSCCO-WCBMZHEXSA-N -1 1 276.340 2.994 20 0 CFADMM O=C(Nc1ncc(-c2ccccn2)s1)c1cncc([O-])c1 ZINC000359386708 381389699 /nfs/dbraw/zinc/38/96/99/381389699.db2.gz JPOTZSYDBKXUDQ-UHFFFAOYSA-N -1 1 298.327 2.558 20 0 CFADMM Cc1cccnc1CCCNC(=O)c1ccc([O-])cc1F ZINC000296448497 381399269 /nfs/dbraw/zinc/39/92/69/381399269.db2.gz OCSPDPMLIHWTBX-UHFFFAOYSA-N -1 1 288.322 2.597 20 0 CFADMM O=C(Nc1ccc2c[nH]nc2c1)c1c(F)ccc([O-])c1F ZINC000347936300 381423336 /nfs/dbraw/zinc/42/33/36/381423336.db2.gz QIMYJLBGORIKKI-UHFFFAOYSA-N -1 1 289.241 2.799 20 0 CFADMM O=C(Nc1nc(C2CCC2)n[nH]1)c1ccc(Cl)cc1[O-] ZINC000184543512 381429897 /nfs/dbraw/zinc/42/98/97/381429897.db2.gz CXOJQGSOBWINIH-UHFFFAOYSA-N -1 1 292.726 2.684 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N3CC(C)(C)C[C@@H]3C)cnc2n1 ZINC000412777535 381438159 /nfs/dbraw/zinc/43/81/59/381438159.db2.gz HVXPWQYBZVAWNT-NSHDSACASA-N -1 1 299.374 2.904 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC(C)(C)C[C@@H]1C)c2=O ZINC000412777535 381438163 /nfs/dbraw/zinc/43/81/63/381438163.db2.gz HVXPWQYBZVAWNT-NSHDSACASA-N -1 1 299.374 2.904 20 0 CFADMM CC(C)C[C@H](C)CC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000347930051 381420343 /nfs/dbraw/zinc/42/03/43/381420343.db2.gz TVKKDNUHWDOBRV-NSHDSACASA-N -1 1 295.383 2.554 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)CC3CC3)[nH][n-]2)s1 ZINC000354800144 381460632 /nfs/dbraw/zinc/46/06/32/381460632.db2.gz POKCANOMDWAMJV-UHFFFAOYSA-N -1 1 261.350 2.607 20 0 CFADMM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000412831183 381465010 /nfs/dbraw/zinc/46/50/10/381465010.db2.gz VYVRGOCTZZMTFQ-KBPBESRZSA-N -1 1 289.375 2.906 20 0 CFADMM O=C(Nc1ccc2ccoc2c1)c1cncc([O-])c1 ZINC000354998132 381557981 /nfs/dbraw/zinc/55/79/81/381557981.db2.gz INHAKJQTTWGPBC-UHFFFAOYSA-N -1 1 254.245 2.786 20 0 CFADMM [O-]C(=NO[C@H]1CCCCO1)Nc1nc(C2CC2)cs1 ZINC000185321112 381595920 /nfs/dbraw/zinc/59/59/20/381595920.db2.gz TWHLQGUIBPASJA-JTQLQIEISA-N -1 1 283.353 2.600 20 0 CFADMM O=C([N-]O[C@H]1CCCCO1)Nc1nc(C2CC2)cs1 ZINC000185321112 381595925 /nfs/dbraw/zinc/59/59/25/381595925.db2.gz TWHLQGUIBPASJA-JTQLQIEISA-N -1 1 283.353 2.600 20 0 CFADMM CO[C@@](C)(c1nc(-c2ccc([O-])cc2F)no1)C1CC1 ZINC000291016637 381632606 /nfs/dbraw/zinc/63/26/06/381632606.db2.gz BVESEZYXTQDPNB-CQSZACIVSA-N -1 1 278.283 2.853 20 0 CFADMM O=C(NC[C@@H](c1ccccc1)C1CC1)c1cncc([O-])c1 ZINC000348567773 381639521 /nfs/dbraw/zinc/63/95/21/381639521.db2.gz FCNJNYMUMMZZEW-INIZCTEOSA-N -1 1 282.343 2.711 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCOC2(CCCCC2)C1 ZINC000185617137 381683777 /nfs/dbraw/zinc/68/37/77/381683777.db2.gz DUARZHAZZAECPG-UHFFFAOYSA-N -1 1 293.338 2.707 20 0 CFADMM Cc1ccc2[nH]c(CNC(=O)c3ccc([O-])cc3F)nc2c1 ZINC000185662125 381697577 /nfs/dbraw/zinc/69/75/77/381697577.db2.gz VTQHGNPCFAGHOY-UHFFFAOYSA-N -1 1 299.305 2.646 20 0 CFADMM Cc1ccc2nc(CNC(=O)c3ccc([O-])cc3F)[nH]c2c1 ZINC000185662125 381697579 /nfs/dbraw/zinc/69/75/79/381697579.db2.gz VTQHGNPCFAGHOY-UHFFFAOYSA-N -1 1 299.305 2.646 20 0 CFADMM CC[C@@H](C)CCCCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000680215264 542289494 /nfs/dbraw/zinc/28/94/94/542289494.db2.gz RWJIJQHVHXIRGJ-CHWSQXEVSA-N -1 1 293.415 2.512 20 0 CFADMM COCCC(C)(C)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000185858148 381759331 /nfs/dbraw/zinc/75/93/31/381759331.db2.gz WLUXSPKFDRKOMH-UHFFFAOYSA-N -1 1 285.771 2.838 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H]2[C@@H](C(F)(F)F)[C@H]21 ZINC000371917920 381720206 /nfs/dbraw/zinc/72/02/06/381720206.db2.gz IVSFXOYBHXZBRC-XROYCOCOSA-N -1 1 289.228 2.554 20 0 CFADMM CC(C)N(CC1CCC1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000298851569 381766962 /nfs/dbraw/zinc/76/69/62/381766962.db2.gz FGVTVOXUVHMHMQ-UHFFFAOYSA-N -1 1 275.348 2.612 20 0 CFADMM O=c1cc(C2CC2)nc(SCCC2CCOCC2)[n-]1 ZINC000292758339 381823910 /nfs/dbraw/zinc/82/39/10/381823910.db2.gz WJVQMXZDOMJXKX-UHFFFAOYSA-N -1 1 280.393 2.968 20 0 CFADMM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccsc1 ZINC000349104516 381824067 /nfs/dbraw/zinc/82/40/67/381824067.db2.gz FIJLMOWSQTYWSH-UHFFFAOYSA-N -1 1 297.357 2.556 20 0 CFADMM CCOc1cc(C(=O)NCC[C@H](C)F)cc(Cl)c1[O-] ZINC000356714019 381862367 /nfs/dbraw/zinc/86/23/67/381862367.db2.gz SCHZPBQKHFWWJD-QMMMGPOBSA-N -1 1 289.734 2.922 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)CCCC(C)(C)C)[n-]1 ZINC000415642284 381865042 /nfs/dbraw/zinc/86/50/42/381865042.db2.gz VHHCTPICZLNDQK-UHFFFAOYSA-N -1 1 281.356 2.741 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)CCCC(C)(C)C)n1 ZINC000415642284 381865049 /nfs/dbraw/zinc/86/50/49/381865049.db2.gz VHHCTPICZLNDQK-UHFFFAOYSA-N -1 1 281.356 2.741 20 0 CFADMM CC(C)CO[C@H]1CC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000186268220 381869412 /nfs/dbraw/zinc/86/94/12/381869412.db2.gz MHCYJPKXMVOHON-HNNXBMFYSA-N -1 1 267.344 2.778 20 0 CFADMM CCCN(CCc1cccs1)C(=O)c1cncc([O-])c1 ZINC000186452222 381915515 /nfs/dbraw/zinc/91/55/15/381915515.db2.gz SPJZPCUUBBDGMR-UHFFFAOYSA-N -1 1 290.388 2.944 20 0 CFADMM O=C(Cc1ccc2c(c1)CCCC2)[N-]O[C@H]1CCCCO1 ZINC000299516273 381968795 /nfs/dbraw/zinc/96/87/95/381968795.db2.gz KCKZHVHLLOIMKT-KRWDZBQOSA-N -1 1 289.375 2.682 20 0 CFADMM Cc1nc(-c2ccc(NC[C@H]3C[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000357322569 382107347 /nfs/dbraw/zinc/10/73/47/382107347.db2.gz CXTRWYFKRKGSCA-TVQRCGJNSA-N -1 1 284.363 2.929 20 0 CFADMM O=C(C[C@@H]1CCOc2ccccc21)[N-]OCC(F)(F)F ZINC000376789505 382176126 /nfs/dbraw/zinc/17/61/26/382176126.db2.gz JGEJKMSYSUDZSZ-VIFPVBQESA-N -1 1 289.253 2.553 20 0 CFADMM CCCCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000357369235 382137199 /nfs/dbraw/zinc/13/71/99/382137199.db2.gz XYRMGZUVPYBNPR-UHFFFAOYSA-N -1 1 281.299 2.572 20 0 CFADMM Cc1cc(Cl)ccc1/C=C/c1cc(=O)n2[n-]cnc2n1 ZINC000352028736 382140097 /nfs/dbraw/zinc/14/00/97/382140097.db2.gz VQGBUGRDKSJGPI-HWKANZROSA-N -1 1 286.722 2.550 20 0 CFADMM COC(=O)c1cnc(S[C@@H](C)C(=O)c2ccccc2)[n-]1 ZINC000187591717 382218733 /nfs/dbraw/zinc/21/87/33/382218733.db2.gz NLKJSMIYODMRQR-VIFPVBQESA-N -1 1 290.344 2.560 20 0 CFADMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)c2ccccc2)n1 ZINC000187591717 382218738 /nfs/dbraw/zinc/21/87/38/382218738.db2.gz NLKJSMIYODMRQR-VIFPVBQESA-N -1 1 290.344 2.560 20 0 CFADMM COC(=O)c1c[n-]c(SCc2cccc(C)c2)n1 ZINC000187598284 382221195 /nfs/dbraw/zinc/22/11/95/382221195.db2.gz CTMYIKIKMUPPHS-UHFFFAOYSA-N -1 1 262.334 2.797 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1Cc2ccccc2CO1 ZINC000377191273 382234916 /nfs/dbraw/zinc/23/49/16/382234916.db2.gz FZRRASFOCAAEMD-UHFFFAOYSA-N -1 1 273.263 2.619 20 0 CFADMM C[C@H](C(=O)[N-]OCC1CC1)c1cccc(Cl)c1 ZINC000293782560 382276461 /nfs/dbraw/zinc/27/64/61/382276461.db2.gz NTLZUYVOPKXSMI-VIFPVBQESA-N -1 1 253.729 2.901 20 0 CFADMM O=C(NOCC1CC1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000293758238 382266280 /nfs/dbraw/zinc/26/62/80/382266280.db2.gz LILXADFMGCEFLF-UHFFFAOYSA-N -1 1 292.722 2.665 20 0 CFADMM C[C@H](c1ccc(F)cc1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377584225 382296050 /nfs/dbraw/zinc/29/60/50/382296050.db2.gz NYZZXBCXPCAYLB-ZYHUDNBSSA-N -1 1 290.342 2.590 20 0 CFADMM O=c1cc(C2CC2)nc(SCc2noc(C3CC3)n2)[n-]1 ZINC000188128650 382350891 /nfs/dbraw/zinc/35/08/91/382350891.db2.gz UWOVZWXKTKOHRM-UHFFFAOYSA-N -1 1 290.348 2.612 20 0 CFADMM C[C@@H]1[C@@H](C)CN1C(=O)c1cc(Br)ccc1[O-] ZINC000293970903 382360406 /nfs/dbraw/zinc/36/04/06/382360406.db2.gz GPEHKHTUYAHHAM-JGVFFNPUSA-N -1 1 284.153 2.635 20 0 CFADMM CC[C@H]1C[C@H](N=c2[n-]c(C(F)(F)F)cs2)CCO1 ZINC000420621192 382430945 /nfs/dbraw/zinc/43/09/45/382430945.db2.gz RMIYSDMFABARIG-SFYZADRCSA-N -1 1 280.315 2.953 20 0 CFADMM CC(C)N1CC[C@@H](N=c2nc(C3CCCC3)[n-]s2)C1 ZINC000420583326 382412430 /nfs/dbraw/zinc/41/24/30/382412430.db2.gz KNZOPQYDKMSEGK-GFCCVEGCSA-N -1 1 280.441 2.512 20 0 CFADMM Cc1[nH]c([C@H]2CCCN2CCC(=O)[O-])nc1-c1ccccc1 ZINC000378195539 382415311 /nfs/dbraw/zinc/41/53/11/382415311.db2.gz XMNZJMNEFBNJNC-CQSZACIVSA-N -1 1 299.374 2.997 20 0 CFADMM C[C@@H]1CN(Cc2cc(F)ccc2F)CC[C@@H]1C(=O)[O-] ZINC000306071064 382451011 /nfs/dbraw/zinc/45/10/11/382451011.db2.gz WKVSKBZAKKOGNW-SKDRFNHKSA-N -1 1 269.291 2.507 20 0 CFADMM O=C(NCc1ccc(Cl)cc1F)c1cncc([O-])c1 ZINC000188896260 382501406 /nfs/dbraw/zinc/50/14/06/382501406.db2.gz JORQVCRCHQAYOC-UHFFFAOYSA-N -1 1 280.686 2.510 20 0 CFADMM C[C@H]1CN(Cc2c(F)cccc2F)CC[C@@H]1C(=O)[O-] ZINC000311416161 382504870 /nfs/dbraw/zinc/50/48/70/382504870.db2.gz APODXQBWIHGFJQ-UWVGGRQHSA-N -1 1 269.291 2.507 20 0 CFADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])[C@H]1CCCCO1 ZINC000379306202 382505925 /nfs/dbraw/zinc/50/59/25/382505925.db2.gz UTNUUCQXZWXJQL-TVQRCGJNSA-N -1 1 283.755 2.733 20 0 CFADMM CCCc1cc(=O)[n-]c(SC[C@@H]2CCC[C@@H](O)C2)n1 ZINC000311927598 382508951 /nfs/dbraw/zinc/50/89/51/382508951.db2.gz HODPTFPQTVLAKH-ZYHUDNBSSA-N -1 1 282.409 2.778 20 0 CFADMM CC1(C)CC[C@@H]1NC(=O)c1cc(Cl)ccc1[O-] ZINC000379741689 382509740 /nfs/dbraw/zinc/50/97/40/382509740.db2.gz LXXAULQYEWUZOX-NSHDSACASA-N -1 1 253.729 2.964 20 0 CFADMM O=C(NC[C@H]1CCC[C@@H](CO)C1)c1cc(Cl)ccc1[O-] ZINC000380225143 382511517 /nfs/dbraw/zinc/51/15/17/382511517.db2.gz KASSUEYLOXUILY-WDEREUQCSA-N -1 1 297.782 2.574 20 0 CFADMM O=C(Nc1ccncc1[O-])c1cc(-c2ccccc2)ns1 ZINC000358338862 382575934 /nfs/dbraw/zinc/57/59/34/382575934.db2.gz NNFHEAZDTCABJB-UHFFFAOYSA-N -1 1 297.339 2.585 20 0 CFADMM CC(C)c1nc(=NC[C@@H]2CCc3ccccc32)o[n-]1 ZINC000346857617 382546955 /nfs/dbraw/zinc/54/69/55/382546955.db2.gz DCSMDKIRLKPXKP-LBPRGKRZSA-N -1 1 257.337 2.757 20 0 CFADMM CO[C@@H](C)c1nc(=NCC(C)(C)C2CCC2)s[n-]1 ZINC000384925126 382562692 /nfs/dbraw/zinc/56/26/92/382562692.db2.gz HFQICDKTIALYMN-VIFPVBQESA-N -1 1 269.414 2.906 20 0 CFADMM O=c1cc(C(F)F)nc(SC[C@H]2CCCCO2)[n-]1 ZINC000289569727 197406014 /nfs/dbraw/zinc/40/60/14/197406014.db2.gz QHFAPNWRVOCYII-SSDOTTSWSA-N -1 1 276.308 2.781 20 0 CFADMM C[C@@H](CC(C)(C)O)[NH2+]Cc1cccc([O-])c1Cl ZINC000295059294 382571531 /nfs/dbraw/zinc/57/15/31/382571531.db2.gz OCAKJPRZVTZOIL-VIFPVBQESA-N -1 1 257.761 2.685 20 0 CFADMM C[C@@H](C1CC1)n1cc(NC(=O)c2ccc([O-])cc2F)cn1 ZINC000189327854 382593028 /nfs/dbraw/zinc/59/30/28/382593028.db2.gz XTVBQPBJLGUGGD-VIFPVBQESA-N -1 1 289.310 2.951 20 0 CFADMM O=C([O-])[C@H]1CN(C(c2ccccc2)c2ccccc2)CCO1 ZINC000387983347 382602799 /nfs/dbraw/zinc/60/27/99/382602799.db2.gz QQVUWPCAUVQETC-MRXNPFEDSA-N -1 1 297.354 2.561 20 0 CFADMM CCc1ccc(C(=O)N2CCOc3ccccc32)c([O-])c1 ZINC000189559765 382624757 /nfs/dbraw/zinc/62/47/57/382624757.db2.gz HLYLDPXQAHPJLP-UHFFFAOYSA-N -1 1 283.327 2.994 20 0 CFADMM CC1(C)C[C@H](O)CC[N@@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000295198946 382580790 /nfs/dbraw/zinc/58/07/90/382580790.db2.gz JXXPSWHQSUMLJA-SNVBAGLBSA-N -1 1 285.334 2.653 20 0 CFADMM CSCc1cccc(CNC(=O)c2cncc([O-])c2)c1 ZINC000190071591 382652593 /nfs/dbraw/zinc/65/25/93/382652593.db2.gz ZPLFXLXLLCHIHQ-UHFFFAOYSA-N -1 1 288.372 2.580 20 0 CFADMM Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(OCC(C)C)CC2)n1 ZINC000192549954 382710030 /nfs/dbraw/zinc/71/00/30/382710030.db2.gz KVITWGJRPHNAEK-ZDUSSCGKSA-N -1 1 293.411 2.689 20 0 CFADMM C[C@@H]1CCc2c(C(=O)Nc3ccncc3[O-])csc2C1 ZINC000336900511 382739173 /nfs/dbraw/zinc/73/91/73/382739173.db2.gz RWTOXQRLMWZWTN-SECBINFHSA-N -1 1 288.372 2.648 20 0 CFADMM CC[C@@H]1C[C@H](C(=O)Nc2nc(Cl)ccc2[O-])CCO1 ZINC000194576544 382749021 /nfs/dbraw/zinc/74/90/21/382749021.db2.gz NFRRJTRZXMYYRF-RKDXNWHRSA-N -1 1 284.743 2.584 20 0 CFADMM O=c1cc(C2CC2)nc(SCc2ccc(CO)cc2)[n-]1 ZINC000195086876 382761418 /nfs/dbraw/zinc/76/14/18/382761418.db2.gz MNOJNUYTLVLPDG-UHFFFAOYSA-N -1 1 288.372 2.844 20 0 CFADMM CC(C)[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc2c1OCC2 ZINC000228491526 382846966 /nfs/dbraw/zinc/84/69/66/382846966.db2.gz LOIMFDOKJMWSNZ-UHFFFAOYSA-N -1 1 283.755 2.570 20 0 CFADMM CC(C)CN(C)C(=O)c1cc(Br)ccc1[O-] ZINC000221029218 382796682 /nfs/dbraw/zinc/79/66/82/382796682.db2.gz NJGDTLWFMSBGIL-UHFFFAOYSA-N -1 1 286.169 2.883 20 0 CFADMM CCC[C@H](NC(=O)C[C@H](C)CCC=C(C)C)c1nn[n-]n1 ZINC000575751469 382797781 /nfs/dbraw/zinc/79/77/81/382797781.db2.gz HTURBONVWPMPJX-OLZOCXBDSA-N -1 1 293.415 2.930 20 0 CFADMM Cc1oc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1C(=O)[O-] ZINC000575763382 382798662 /nfs/dbraw/zinc/79/86/62/382798662.db2.gz QKPALHRWCONCCL-WCQYABFASA-N -1 1 285.290 2.763 20 0 CFADMM CC1(C)CC(CN=c2nc(C(F)(F)F)[n-]s2)C1 ZINC000576061257 382809173 /nfs/dbraw/zinc/80/91/73/382809173.db2.gz QGDURWGLNQTCDD-UHFFFAOYSA-N -1 1 265.304 2.827 20 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2.533 20 0 CFADMM CCOc1cc(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc(Cl)c1[O-] ZINC000577450770 382859306 /nfs/dbraw/zinc/85/93/06/382859306.db2.gz XTYVLXWHWMYRJR-IWIIMEHWSA-N -1 1 295.766 2.973 20 0 CFADMM CC1=CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000230813011 382862982 /nfs/dbraw/zinc/86/29/82/382862982.db2.gz WYMUDOWIGGOIAV-UHFFFAOYSA-N -1 1 251.713 2.838 20 0 CFADMM CC1(C)CCC(O)(CNC(=O)c2ccc([O-])cc2F)CC1 ZINC000232386722 382868794 /nfs/dbraw/zinc/86/87/94/382868794.db2.gz NUMKJBGAUUVIDQ-UHFFFAOYSA-N -1 1 295.354 2.592 20 0 CFADMM O=C(N[C@H]1CCc2c1cccc2Cl)c1ncccc1[O-] ZINC000338046806 382911041 /nfs/dbraw/zinc/91/10/41/382911041.db2.gz LIHZTSLGMDAHCD-LBPRGKRZSA-N -1 1 288.734 2.858 20 0 CFADMM CC[C@@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000421661949 382888255 /nfs/dbraw/zinc/88/82/55/382888255.db2.gz JJQACJPTPIBRAI-WDEREUQCSA-N -1 1 283.755 2.733 20 0 CFADMM CC[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[O-])CCO1 ZINC000421664890 382890043 /nfs/dbraw/zinc/89/00/43/382890043.db2.gz RPDNKYBPRPYRBG-QWRGUYRKSA-N -1 1 283.755 2.733 20 0 CFADMM O=C(NCc1csc2ccccc12)c1ncccc1[O-] ZINC000338045668 382911301 /nfs/dbraw/zinc/91/13/01/382911301.db2.gz XLQPORYUFXJBSC-UHFFFAOYSA-N -1 1 284.340 2.932 20 0 CFADMM Cc1cnc(C(=O)NCc2nc3ccccc3s2)c([O-])c1 ZINC000494909097 382940375 /nfs/dbraw/zinc/94/03/75/382940375.db2.gz NBSPIJPCPQGFTA-UHFFFAOYSA-N -1 1 299.355 2.635 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cc2c([nH]1)CCCC2 ZINC000578714510 382946543 /nfs/dbraw/zinc/94/65/43/382946543.db2.gz FWICUNAFNQYUOM-UHFFFAOYSA-N -1 1 274.295 2.991 20 0 CFADMM C[C@@H]1CCN(Cc2nc(C3CC3)cs2)C[C@H]1C(=O)[O-] ZINC000578358167 382914335 /nfs/dbraw/zinc/91/43/35/382914335.db2.gz SNRQUZDSXSXBTJ-MWLCHTKSSA-N -1 1 280.393 2.563 20 0 CFADMM Cc1ccccc1-c1cnc(CN2CC[C@H](C(=O)[O-])C2)o1 ZINC000534529888 382932664 /nfs/dbraw/zinc/93/26/64/382932664.db2.gz RUBJVBLKZZYAEJ-LBPRGKRZSA-N -1 1 286.331 2.557 20 0 CFADMM Cc1cnc(C(=O)NCc2cc3ccccc3[nH]2)c([O-])c1 ZINC000494834475 382932969 /nfs/dbraw/zinc/93/29/69/382932969.db2.gz FJUAGFPTMIAECR-UHFFFAOYSA-N -1 1 281.315 2.507 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2nn(C)cc2Cl)n1 ZINC000421824988 382935214 /nfs/dbraw/zinc/93/52/14/382935214.db2.gz LGJMQOPGIZNLMG-UHFFFAOYSA-N -1 1 298.799 2.814 20 0 CFADMM CN(Cc1c(Cl)cccc1C(=O)[O-])[C@@H]1CCSC1 ZINC000579015660 382975603 /nfs/dbraw/zinc/97/56/03/382975603.db2.gz CBDFSWAXORQBHF-SECBINFHSA-N -1 1 285.796 2.976 20 0 CFADMM C[C@@H]([N-]S(=O)(=O)c1sccc1F)C1CCCC1 ZINC000338896944 383079085 /nfs/dbraw/zinc/07/90/85/383079085.db2.gz AZGTYBXSAGSIRS-MRVPVSSYSA-N -1 1 277.386 2.744 20 0 CFADMM O=S(=O)([N-]CCCc1ccccc1)c1sccc1F ZINC000338849855 383067380 /nfs/dbraw/zinc/06/73/80/383067380.db2.gz LWVBIMLTPMPQAZ-UHFFFAOYSA-N -1 1 299.392 2.798 20 0 CFADMM COCC1(C(=O)Nc2ccc(F)cc2[O-])CCCC1 ZINC000457673615 383068376 /nfs/dbraw/zinc/06/83/76/383068376.db2.gz QCNJPNXEXBXMOF-UHFFFAOYSA-N -1 1 267.300 2.677 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](c2ccncc2)C1 ZINC000552397659 383084582 /nfs/dbraw/zinc/08/45/82/383084582.db2.gz MIATTXXACTVDRU-GFCCVEGCSA-N -1 1 286.306 2.556 20 0 CFADMM [O-]c1cccc(CNCc2cn3ccccc3n2)c1Cl ZINC000339167412 383173334 /nfs/dbraw/zinc/17/33/34/383173334.db2.gz QSRVUKAZVLBQLI-UHFFFAOYSA-N -1 1 287.750 2.983 20 0 CFADMM CC[C@@H](CC(C)C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000449263651 383190192 /nfs/dbraw/zinc/19/01/92/383190192.db2.gz LUXCVSWSBTYJBA-ZETCQYMHSA-N -1 1 278.278 2.834 20 0 CFADMM O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1ccc([O-])c(F)c1 ZINC000634432161 383194424 /nfs/dbraw/zinc/19/44/24/383194424.db2.gz RALKYOHRDCFKMX-CABCVRRESA-N -1 1 293.338 2.609 20 0 CFADMM O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1ccc([O-])c(F)c1 ZINC000634432164 383194452 /nfs/dbraw/zinc/19/44/52/383194452.db2.gz RALKYOHRDCFKMX-LSDHHAIUSA-N -1 1 293.338 2.609 20 0 CFADMM CC(C)CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339116670 383154842 /nfs/dbraw/zinc/15/48/42/383154842.db2.gz AFJFLXJXCVQJHP-UHFFFAOYSA-N -1 1 259.309 2.767 20 0 CFADMM O=S(=O)([N-][C@@H]1CCC[C@H]1F)c1ccc(Cl)cc1F ZINC000339125005 383157815 /nfs/dbraw/zinc/15/78/15/383157815.db2.gz WLZPVKRXAIDVMX-PSASIEDQSA-N -1 1 295.738 2.648 20 0 CFADMM O=S(=O)([N-][C@@H]1CCC[C@H]1F)c1ccc(Cl)s1 ZINC000339121890 383158119 /nfs/dbraw/zinc/15/81/19/383158119.db2.gz AGVYVFRKQUCWEK-RNFRBKRXSA-N -1 1 283.777 2.570 20 0 CFADMM O=S(=O)([N-][C@H]1CCC[C@H]1F)c1ccc(Cl)cc1F ZINC000339125007 383158189 /nfs/dbraw/zinc/15/81/89/383158189.db2.gz WLZPVKRXAIDVMX-SCZZXKLOSA-N -1 1 295.738 2.648 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3ncccc3C(F)(F)F)c(=O)c21 ZINC000634589414 383251234 /nfs/dbraw/zinc/25/12/34/383251234.db2.gz XYOYCHSTLMISLE-XVKPBYJWSA-N -1 1 283.253 2.849 20 0 CFADMM C[C@@H]1CCc2[n-]n([C@@H]3CCOC(C)(C)C3)c(=O)c2C1 ZINC000634621946 383281120 /nfs/dbraw/zinc/28/11/20/383281120.db2.gz UARRXIDITASSDY-UTUOFQBUSA-N -1 1 264.369 2.578 20 0 CFADMM O=C1[C@H]2CCCCCCC2=NN1CC[NH+]1CCCCC1 ZINC000634592762 383253404 /nfs/dbraw/zinc/25/34/04/383253404.db2.gz TUQNDUGKMSCGPF-AWEZNQCLSA-N -1 1 277.412 2.641 20 0 CFADMM 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268.367 2.544 20 0 CFADMM O=C(CCC(F)(F)F)Nc1ccc(F)cc1[O-] ZINC000269018804 132100540 /nfs/dbraw/zinc/10/05/40/132100540.db2.gz JGYPVEARYTTZAY-UHFFFAOYSA-N -1 1 251.179 2.812 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2noc(C(C)C)n2)n1 ZINC000269446923 132171986 /nfs/dbraw/zinc/17/19/86/132171986.db2.gz OUIBCBSMVLBIHU-UHFFFAOYSA-N -1 1 294.380 2.933 20 0 CFADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc2[nH]nnc2c1 ZINC000031381469 393508727 /nfs/dbraw/zinc/50/87/27/393508727.db2.gz ZUWCLCXURYTKOR-IINYFYTJSA-N -1 1 272.352 2.609 20 0 CFADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc2[nH]nnc2c1 ZINC000031381465 393508901 /nfs/dbraw/zinc/50/89/01/393508901.db2.gz ZUWCLCXURYTKOR-QMTHXVAHSA-N -1 1 272.352 2.609 20 0 CFADMM COC(=O)CC(C)(C)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182874165 393515062 /nfs/dbraw/zinc/51/50/62/393515062.db2.gz ARVLSHVQIQGICL-UHFFFAOYSA-N -1 1 299.754 2.964 20 0 CFADMM COCC(C)(C)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000313990325 393525544 /nfs/dbraw/zinc/52/55/44/393525544.db2.gz XNMQSZQKPVGXRM-UHFFFAOYSA-N -1 1 287.359 2.948 20 0 CFADMM COc1cccc(CN(C)Cc2ccc(C(=O)[O-])o2)c1 ZINC000048894538 393607805 /nfs/dbraw/zinc/60/78/05/393607805.db2.gz OPMMVYUGGBJUML-UHFFFAOYSA-N -1 1 275.304 2.618 20 0 CFADMM CO[C@H](C)c1nc(=N[C@H]2CCCC[C@H]2C)s[n-]1 ZINC000336697100 393745698 /nfs/dbraw/zinc/74/56/98/393745698.db2.gz JGVLTUSJCFTABK-BBBLOLIVSA-N -1 1 255.387 2.658 20 0 CFADMM COCc1nc2cc(NC(=O)c3ccccc3[O-])ccc2o1 ZINC000080038271 393723187 /nfs/dbraw/zinc/72/31/87/393723187.db2.gz GEHKXESZKRYZRJ-UHFFFAOYSA-N -1 1 298.298 2.932 20 0 CFADMM CCOC[C@@H](NC(=O)c1cc(Cl)ccc1[O-])C(C)C ZINC000233804795 393782894 /nfs/dbraw/zinc/78/28/94/393782894.db2.gz URXORECQZHYHJR-GFCCVEGCSA-N -1 1 285.771 2.837 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)[C@@H]2CCCC[C@@H]2CC)[n-]1 ZINC000415635249 393813647 /nfs/dbraw/zinc/81/36/47/393813647.db2.gz CKIBRAWFYXDMAB-WDEREUQCSA-N -1 1 293.367 2.741 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CCCC[C@@H]2CC)n1 ZINC000415635249 393813652 /nfs/dbraw/zinc/81/36/52/393813652.db2.gz CKIBRAWFYXDMAB-WDEREUQCSA-N -1 1 293.367 2.741 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)[C@@H](C)CCC(C)(C)C)[n-]1 ZINC000415647328 393814800 /nfs/dbraw/zinc/81/48/00/393814800.db2.gz MQKSVKBDQJQGHX-JTQLQIEISA-N -1 1 295.383 2.987 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](C)CCC(C)(C)C)n1 ZINC000415647328 393814803 /nfs/dbraw/zinc/81/48/03/393814803.db2.gz MQKSVKBDQJQGHX-JTQLQIEISA-N -1 1 295.383 2.987 20 0 CFADMM COCC[C@@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000111867274 393887852 /nfs/dbraw/zinc/88/78/52/393887852.db2.gz CESQRBHSJGUSSX-LLVKDONJSA-N -1 1 273.332 2.700 20 0 CFADMM CC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)[C@H]1CC1(C)C ZINC000416272233 393892758 /nfs/dbraw/zinc/89/27/58/393892758.db2.gz CIZFAGOPJCEZFX-OLZOCXBDSA-N -1 1 275.348 2.516 20 0 CFADMM O=S(=O)([N-]c1cnc[nH]1)c1cccc(Cl)c1Cl ZINC000684836956 542860388 /nfs/dbraw/zinc/86/03/88/542860388.db2.gz IZNYVKICTBBBDM-UHFFFAOYSA-N -1 1 292.147 2.517 20 0 CFADMM Cc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1O ZINC000684834949 542860722 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393939797 /nfs/dbraw/zinc/93/97/97/393939797.db2.gz ILAMIKHSHHQWJP-UHFFFAOYSA-N -1 1 265.206 2.556 20 0 CFADMM O=C(N[C@H]1C[C@H]1c1ccccc1)c1c([O-])cccc1F ZINC000120818533 393941282 /nfs/dbraw/zinc/94/12/82/393941282.db2.gz CHTBWLAALBTKGZ-AAEUAGOBSA-N -1 1 271.291 2.817 20 0 CFADMM CCC[C@@H](NC(=O)CC1CCC(C)(C)CC1)c1nn[n-]n1 ZINC000119621112 393922056 /nfs/dbraw/zinc/92/20/56/393922056.db2.gz GTXHFSVTJQRPKL-GFCCVEGCSA-N -1 1 293.415 2.764 20 0 CFADMM CC[C@H](NC(=O)c1ccc(Cl)cc1[O-])[C@H]1CCCO1 ZINC000125995165 394018183 /nfs/dbraw/zinc/01/81/83/394018183.db2.gz YMRUYUQRWUYIMF-WCQYABFASA-N -1 1 283.755 2.733 20 0 CFADMM COc1ccc(C(=O)Nc2ccc3nc(C)cn3c2)c([O-])c1 ZINC000436779573 394022162 /nfs/dbraw/zinc/02/21/62/394022162.db2.gz WQZNIGKTJBDEHM-UHFFFAOYSA-N -1 1 297.314 2.609 20 0 CFADMM Cc1sccc1CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C ZINC000417587037 393979772 /nfs/dbraw/zinc/97/97/72/393979772.db2.gz RQAHNBIZOPEMAU-SKDRFNHKSA-N -1 1 285.409 2.803 20 0 CFADMM O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000123501398 393981678 /nfs/dbraw/zinc/98/16/78/393981678.db2.gz MVDPDRRPDHEDSD-FZMZJTMJSA-N -1 1 295.766 2.733 20 0 CFADMM O=C([O-])CC[C@H](NCc1ccco1)c1ccccc1 ZINC000417604110 393981756 /nfs/dbraw/zinc/98/17/56/393981756.db2.gz TYQHPLJMHVQKQG-AWEZNQCLSA-N -1 1 259.305 2.975 20 0 CFADMM Cc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)o1 ZINC000417612129 393983791 /nfs/dbraw/zinc/98/37/91/393983791.db2.gz BLSPZXWXHHZGKM-HUUCEWRRSA-N -1 1 271.316 2.991 20 0 CFADMM O=C(CC[C@@H]1CCCCO1)Nc1ccc(F)cc1[O-] ZINC000269016633 393998983 /nfs/dbraw/zinc/99/89/83/393998983.db2.gz IRYNPEBGQMFFBF-NSHDSACASA-N -1 1 267.300 2.819 20 0 CFADMM CC[C@H](NC(=O)c1cc(F)ccc1[O-])C(F)(F)F ZINC000436834029 394026569 /nfs/dbraw/zinc/02/65/69/394026569.db2.gz LKGUFFZNSLQWRJ-VIFPVBQESA-N -1 1 265.206 2.602 20 0 CFADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000436957242 394038515 /nfs/dbraw/zinc/03/85/15/394038515.db2.gz SOLRTKMIBJHBFW-LURJTMIESA-N -1 1 281.661 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298.277 2.569 20 0 CFADMM O=C(Nc1cccc2[nH]c(=O)oc21)c1cc(F)ccc1[O-] ZINC000436932152 394036531 /nfs/dbraw/zinc/03/65/31/394036531.db2.gz APWVXESAIBIWSL-UHFFFAOYSA-N -1 1 288.234 2.630 20 0 CFADMM CCN(C(=O)c1ccc(O)cc1[O-])c1ccccc1OC ZINC000436948159 394037226 /nfs/dbraw/zinc/03/72/26/394037226.db2.gz IJPWLHUUBOIWDE-UHFFFAOYSA-N -1 1 287.315 2.773 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1cc2c(cn1)OCCC2 ZINC000360623723 394156182 /nfs/dbraw/zinc/15/61/82/394156182.db2.gz AXZUOCSVLHGTJX-UHFFFAOYSA-N -1 1 288.278 2.504 20 0 CFADMM CN(C)c1ccnc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000132663852 394159812 /nfs/dbraw/zinc/15/98/12/394159812.db2.gz VLSJIVSKKHGPPA-UHFFFAOYSA-N -1 1 291.738 2.759 20 0 CFADMM CCN(CC)C(=O)c1ccc(Br)c([O-])c1 ZINC000132831540 394164394 /nfs/dbraw/zinc/16/43/94/394164394.db2.gz WVSZKHOUVUGURX-UHFFFAOYSA-N -1 1 272.142 2.637 20 0 CFADMM COCC[C@H]1CCCC[N@@H+]([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000364436403 394212184 /nfs/dbraw/zinc/21/21/84/394212184.db2.gz XSKXNYDCHQGTAG-UONOGXRCSA-N -1 1 293.411 2.690 20 0 CFADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000289106297 394214932 /nfs/dbraw/zinc/21/49/32/394214932.db2.gz GEAQFOLYGXCNMI-YABSGUDNSA-N -1 1 275.348 2.516 20 0 CFADMM CCC[C@@H](CC1CCCCC1)C(=O)Nc1nnn[n-]1 ZINC000135463802 394220957 /nfs/dbraw/zinc/22/09/57/394220957.db2.gz AHEOWBHNEPKBGI-NSHDSACASA-N -1 1 265.361 2.525 20 0 CFADMM CCC[C@@H](CC1CCCCC1)C(=O)Nc1nn[n-]n1 ZINC000135463802 394220963 /nfs/dbraw/zinc/22/09/63/394220963.db2.gz AHEOWBHNEPKBGI-NSHDSACASA-N -1 1 265.361 2.525 20 0 CFADMM CC(C)c1scnc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000289701541 394221335 /nfs/dbraw/zinc/22/13/35/394221335.db2.gz NTVRHISRDOIZSQ-SECBINFHSA-N -1 1 285.369 2.846 20 0 CFADMM CC(C)c1scnc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000289701541 394221340 /nfs/dbraw/zinc/22/13/40/394221340.db2.gz NTVRHISRDOIZSQ-SECBINFHSA-N -1 1 285.369 2.846 20 0 CFADMM O=C(/C=C/[C@@H]1CCOC1)Nc1ccc([O-])c(Cl)c1 ZINC000493384004 394227960 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Cc1ccc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c(O)c1 ZINC000533879074 542963103 /nfs/dbraw/zinc/96/31/03/542963103.db2.gz AQAHZIDJHJQGMI-MRXNPFEDSA-N -1 1 296.370 2.617 20 0 CFADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCc2ccccc21 ZINC000547971890 394900682 /nfs/dbraw/zinc/90/06/82/394900682.db2.gz DVKXAGHNTGPQFS-AWEZNQCLSA-N -1 1 282.343 2.937 20 0 CFADMM Cc1nocc1[N-]C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000640483829 395153494 /nfs/dbraw/zinc/15/34/94/395153494.db2.gz PLBRWTKKRRZOGU-JTQLQIEISA-N -1 1 279.321 2.543 20 0 CFADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)cn2ccnc12 ZINC000647220636 395235861 /nfs/dbraw/zinc/23/58/61/395235861.db2.gz OEJICBQEMZLTTE-UHFFFAOYSA-N -1 1 285.278 2.740 20 0 CFADMM Cc1c([N-]S(=O)(=O)c2ccccc2C)[nH]nc1C(C)C ZINC000647279128 395267322 /nfs/dbraw/zinc/26/73/22/395267322.db2.gz PTWSURCMEXHFCS-UHFFFAOYSA-N -1 1 293.392 2.951 20 0 CFADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000648893826 395354408 /nfs/dbraw/zinc/35/44/08/395354408.db2.gz 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293.338 2.609 20 0 CFADMM CSc1cccnc1[N-]C(=O)c1nc(C)oc1C ZINC000652878308 414106592 /nfs/dbraw/zinc/10/65/92/414106592.db2.gz ZRWVKBGIWSEPLJ-UHFFFAOYSA-N -1 1 263.322 2.661 20 0 CFADMM COC[C@@H](CC(C)(C)C)NC(=O)c1ccc([O-])c(F)c1 ZINC000655304863 414183411 /nfs/dbraw/zinc/18/34/11/414183411.db2.gz JIUWCDLSYAAENE-LLVKDONJSA-N -1 1 283.343 2.712 20 0 CFADMM O=C(N[C@@H]1CCCC[C@H]1F)c1ccc([O-])c(F)c1 ZINC000665653340 414393713 /nfs/dbraw/zinc/39/37/13/414393713.db2.gz UBARQSKIIUVTCG-MWLCHTKSSA-N -1 1 255.264 2.542 20 0 CFADMM O=c1cc(C(F)F)nc(SCCc2ccncc2)[n-]1 ZINC000665687062 414409719 /nfs/dbraw/zinc/40/97/19/414409719.db2.gz GLJLACFHCGCSPI-UHFFFAOYSA-N -1 1 283.303 2.850 20 0 CFADMM COc1cc2c(cc1F)nccc2NC[C@H](C)C(=O)[O-] ZINC000656091370 414507933 /nfs/dbraw/zinc/50/79/33/414507933.db2.gz AKJGYAWCPMOUDT-QMMMGPOBSA-N -1 1 278.283 2.515 20 0 CFADMM CCCc1nc(CN2CCCC[C@@H]2CC(=O)[O-])cs1 ZINC000038027374 174012544 /nfs/dbraw/zinc/01/25/44/174012544.db2.gz UMXAYHSIXGLNLL-GFCCVEGCSA-N -1 1 282.409 2.925 20 0 CFADMM O=S(=O)([N-]CC1=CCCC1)c1c(F)cccc1Cl ZINC000660037981 414653706 /nfs/dbraw/zinc/65/37/06/414653706.db2.gz KYRLHIFXQMBGSE-UHFFFAOYSA-N -1 1 289.759 2.868 20 0 CFADMM CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000660049164 414655336 /nfs/dbraw/zinc/65/53/36/414655336.db2.gz UJHZATJHSOJTNS-GFCCVEGCSA-N -1 1 293.310 2.571 20 0 CFADMM CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000660049166 414655427 /nfs/dbraw/zinc/65/54/27/414655427.db2.gz UJHZATJHSOJTNS-LBPRGKRZSA-N -1 1 293.310 2.571 20 0 CFADMM O=S(=O)([N-]c1ccc(-c2cc[nH]n2)cc1)c1ccccc1 ZINC000040432588 174260587 /nfs/dbraw/zinc/26/05/87/174260587.db2.gz KQGKRQLGUKPYGH-UHFFFAOYSA-N -1 1 299.355 2.878 20 0 CFADMM CCN(CC)C(=O)c1ccc(Br)cc1[O-] ZINC000044490200 175180667 /nfs/dbraw/zinc/18/06/67/175180667.db2.gz WAXSFJWERGANQX-UHFFFAOYSA-N -1 1 272.142 2.637 20 0 CFADMM Cc1ccc(CNCc2ccc(C(=O)[O-])o2)s1 ZINC000071396240 176150203 /nfs/dbraw/zinc/15/02/03/176150203.db2.gz CAUPCCHKXDCXHR-UHFFFAOYSA-N -1 1 251.307 2.638 20 0 CFADMM O=C(Nc1cccc2cccnc21)c1ccc(O)cc1[O-] ZINC000192702703 227267294 /nfs/dbraw/zinc/26/72/94/227267294.db2.gz SJVCBWSYVCSZDJ-UHFFFAOYSA-N -1 1 280.283 2.898 20 0 CFADMM CC(C)[C@@]1(C)C[C@H]1N=c1nc(C(F)(F)F)[n-]s1 ZINC000397186130 270315732 /nfs/dbraw/zinc/31/57/32/270315732.db2.gz MGYRWBRFOHLOJD-HZGVNTEJSA-N -1 1 265.304 2.825 20 0 CFADMM CCCCc1noc([C@H](C)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000517934982 260321130 /nfs/dbraw/zinc/32/11/30/260321130.db2.gz HCMDIPIIMHAZJM-WOPDTQHZSA-N -1 1 295.383 2.516 20 0 CFADMM CO[C@@]1(C)C[C@H](N(C)C(=O)c2cc(F)ccc2[O-])C1(C)C ZINC000091990037 260472373 /nfs/dbraw/zinc/47/23/73/260472373.db2.gz NQKYBNLPNIIGAT-BBRMVZONSA-N -1 1 295.354 2.807 20 0 CFADMM FC(F)(F)c1nc(=NC[C@H]2CCCC2(F)F)s[n-]1 ZINC000390861167 262355713 /nfs/dbraw/zinc/35/57/13/262355713.db2.gz MJNJIMVYTITVBD-RXMQYKEDSA-N -1 1 287.257 2.826 20 0 CFADMM CS[C@@H](C)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278258397 263046159 /nfs/dbraw/zinc/04/61/59/263046159.db2.gz UPBFEVWFILUFPG-ZETCQYMHSA-N -1 1 268.313 2.875 20 0 CFADMM COc1ccc(F)c(NC(=O)c2ccccc2[O-])c1 ZINC000094820368 265258409 /nfs/dbraw/zinc/25/84/09/265258409.db2.gz DAKANLBRPIFVEE-UHFFFAOYSA-N -1 1 261.252 2.792 20 0 CFADMM C[C@H]1CC[C@H](CNC(=O)c2c([O-])cccc2F)C1 ZINC000230428817 270259737 /nfs/dbraw/zinc/25/97/37/270259737.db2.gz HMVGMELHZURYIF-UWVGGRQHSA-N -1 1 251.301 2.697 20 0 CFADMM C[C@H]1COCC[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192812148 270234743 /nfs/dbraw/zinc/23/47/43/270234743.db2.gz WQWWOBMUVFNDHJ-WCBMZHEXSA-N -1 1 269.728 2.657 20 0 CFADMM CCC(CC)c1nnc([N-]C(=O)c2snnc2C)s1 ZINC000194776553 270247020 /nfs/dbraw/zinc/24/70/20/270247020.db2.gz QJOZFNGMKSRJGT-UHFFFAOYSA-N -1 1 297.409 2.854 20 0 CFADMM C[C@H]1CC[C@@H](CNC(=O)c2cc(F)ccc2[O-])C1 ZINC000230428775 270259968 /nfs/dbraw/zinc/25/99/68/270259968.db2.gz UXARAXWFLWENOR-VHSXEESVSA-N -1 1 251.301 2.697 20 0 CFADMM C[C@@H]1CC[C@H](CNC(=O)c2ccc([O-])cc2F)C1 ZINC000232386279 270261136 /nfs/dbraw/zinc/26/11/36/270261136.db2.gz OLZWCEKDTRBDGC-ZJUUUORDSA-N -1 1 251.301 2.697 20 0 CFADMM CC1(C)OCC[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000328249732 270298952 /nfs/dbraw/zinc/29/89/52/270298952.db2.gz NUUXUIBLMJCPOB-AWEZNQCLSA-N -1 1 285.343 2.843 20 0 CFADMM O=C(N[C@@H](C1CC1)C1CCC1)c1c([O-])cccc1F ZINC000325248503 270299267 /nfs/dbraw/zinc/29/92/67/270299267.db2.gz ZXWQXXFQKNXDBU-CQSZACIVSA-N -1 1 263.312 2.840 20 0 CFADMM CC(C)OCC(C)(C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000396391292 270315374 /nfs/dbraw/zinc/31/53/74/270315374.db2.gz ZIOAIYVNTLDIBQ-UHFFFAOYSA-N -1 1 285.771 2.979 20 0 CFADMM CC(C)c1nc(=NC[C@@H](C)c2ccc(F)cc2)o[n-]1 ZINC000522967028 270451103 /nfs/dbraw/zinc/45/11/03/270451103.db2.gz QLJIUOAYXCNDOU-SNVBAGLBSA-N -1 1 263.316 2.970 20 0 CFADMM CC1(C)CN(C(=O)c2cncc([O-])c2)Cc2ccccc21 ZINC000270604444 276130521 /nfs/dbraw/zinc/13/05/21/276130521.db2.gz MENSJTSXOQKAIZ-UHFFFAOYSA-N -1 1 282.343 2.721 20 0 CFADMM CCO[C@H]1C[C@@H](NC(=O)c2cc(F)ccc2[O-])C12CCC2 ZINC000436589293 276488221 /nfs/dbraw/zinc/48/82/21/276488221.db2.gz JVTIYLZLQQTICM-KGLIPLIRSA-N -1 1 293.338 2.609 20 0 CFADMM CC[C@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000117396327 276650963 /nfs/dbraw/zinc/65/09/63/276650963.db2.gz UZMRANVTWZOVRY-LBPRGKRZSA-N -1 1 299.374 2.575 20 0 CFADMM CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1c([O-])cccc1F ZINC000184759802 277508600 /nfs/dbraw/zinc/50/86/00/277508600.db2.gz TVVPUSLQUAWYHB-TZMCWYRMSA-N -1 1 295.354 2.855 20 0 CFADMM CC1(C)CN(C(=O)c2ncccc2[O-])Cc2ccccc2O1 ZINC000290371252 278327460 /nfs/dbraw/zinc/32/74/60/278327460.db2.gz BDFHDASVVDPCTA-UHFFFAOYSA-N -1 1 298.342 2.601 20 0 CFADMM C[C@H]1CCc2onc(C(=O)Nc3ccc(F)cc3[O-])c2C1 ZINC000436900708 279776482 /nfs/dbraw/zinc/77/64/82/279776482.db2.gz JKHURRGAGAPQFD-QMMMGPOBSA-N -1 1 290.294 2.896 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCCc2cccnc21 ZINC000278414560 280018059 /nfs/dbraw/zinc/01/80/59/280018059.db2.gz MHBBNRBKMAFAKS-LBPRGKRZSA-N -1 1 286.306 2.985 20 0 CFADMM CC[C@@H]1CCCC[C@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000280660412 280268702 /nfs/dbraw/zinc/26/87/02/280268702.db2.gz SWROPKKOLFBQOB-HTQZYQBOSA-N -1 1 290.289 2.978 20 0 CFADMM Cc1cc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)no1 ZINC000358845548 280287870 /nfs/dbraw/zinc/28/78/70/280287870.db2.gz IBQQKBQPCAZCDL-UHFFFAOYSA-N -1 1 263.203 2.577 20 0 CFADMM Cc1cc(Br)c2c(c1)CN([C@@H](C)C(=O)[O-])CC2 ZINC000082791705 280306851 /nfs/dbraw/zinc/30/68/51/280306851.db2.gz UASVOBCVYGQKFB-VIFPVBQESA-N -1 1 298.180 2.589 20 0 CFADMM O=C(Nc1cn[nH]c1)c1cc2ccccc2cc1[O-] ZINC000029692083 280419361 /nfs/dbraw/zinc/41/93/61/280419361.db2.gz GXPMVLNHJOLKNE-UHFFFAOYSA-N -1 1 253.261 2.521 20 0 CFADMM COC(=O)Nc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000055512381 280450997 /nfs/dbraw/zinc/45/09/97/280450997.db2.gz VUTZIKLNAHMNOX-UHFFFAOYSA-N -1 1 286.287 2.823 20 0 CFADMM CCc1nnc([N-]C(=O)c2ccc(F)c(F)c2F)s1 ZINC000075297352 280510287 /nfs/dbraw/zinc/51/02/87/280510287.db2.gz FOJZAJXGPLYWCE-UHFFFAOYSA-N -1 1 287.266 2.770 20 0 CFADMM Cc1noc([N-]C(=O)c2oc(-c3ccccc3)nc2C)n1 ZINC000081276588 280542599 /nfs/dbraw/zinc/54/25/99/280542599.db2.gz JUJYPOWQZLLWSM-UHFFFAOYSA-N -1 1 284.275 2.594 20 0 CFADMM O=S(=O)([N-]Cc1ccccc1)c1cc2ccccc2o1 ZINC000084935561 280552187 /nfs/dbraw/zinc/55/21/87/280552187.db2.gz WSOHYFJZPCTAFQ-UHFFFAOYSA-N -1 1 287.340 2.911 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCOc2ccccc21 ZINC000093945182 280577047 /nfs/dbraw/zinc/57/70/47/280577047.db2.gz HOVBLTVGCLMOEB-UHFFFAOYSA-N -1 1 273.263 2.571 20 0 CFADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1cnn(C)c1 ZINC000119171172 280606305 /nfs/dbraw/zinc/60/63/05/280606305.db2.gz IRVFQTPNMTXSMQ-LLVKDONJSA-N -1 1 295.342 2.770 20 0 CFADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1cnn(C)c1 ZINC000119266914 280606847 /nfs/dbraw/zinc/60/68/47/280606847.db2.gz WUIVGSWQTGTJTA-NSHDSACASA-N -1 1 295.342 2.770 20 0 CFADMM C[C@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000119602484 280608909 /nfs/dbraw/zinc/60/89/09/280608909.db2.gz VTPCKXAELLJYJR-VHSXEESVSA-N -1 1 251.301 2.840 20 0 CFADMM Cc1cnccc1CCNC(=O)c1cc(Cl)ccc1[O-] ZINC000120731196 280616686 /nfs/dbraw/zinc/61/66/86/280616686.db2.gz GZRBGPDLOMVHNJ-UHFFFAOYSA-N -1 1 290.750 2.722 20 0 CFADMM COc1cc(OC)c(NC(=O)c2ccccc2[O-])cc1F ZINC000120767793 280617234 /nfs/dbraw/zinc/61/72/34/280617234.db2.gz DUSCJOIKBBEIRI-UHFFFAOYSA-N -1 1 291.278 2.801 20 0 CFADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2)cc1 ZINC000121302987 280621304 /nfs/dbraw/zinc/62/13/04/280621304.db2.gz GBMNCGXJRLCYIN-UHFFFAOYSA-N -1 1 292.360 2.590 20 0 CFADMM O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccccc1[O-] ZINC000122046051 280625497 /nfs/dbraw/zinc/62/54/97/280625497.db2.gz UFJBALGBGTXZLY-UHFFFAOYSA-N -1 1 296.326 2.537 20 0 CFADMM CC(=O)CCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000126996691 280658967 /nfs/dbraw/zinc/65/89/67/280658967.db2.gz CXCKVIVCXMZZDQ-UHFFFAOYSA-N -1 1 280.271 2.662 20 0 CFADMM CC1(NC(=O)c2cc(F)ccc2[O-])CCCCC1 ZINC000128648287 280680545 /nfs/dbraw/zinc/68/05/45/280680545.db2.gz FNGNLDJSPAGTKC-UHFFFAOYSA-N -1 1 251.301 2.984 20 0 CFADMM CC1(C)CCC[C@@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000128687142 280681714 /nfs/dbraw/zinc/68/17/14/280681714.db2.gz GLLGIDUIJILDFU-LBPRGKRZSA-N -1 1 251.301 2.840 20 0 CFADMM O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1c([O-])cccc1F ZINC000130063772 280698686 /nfs/dbraw/zinc/69/86/86/280698686.db2.gz FAACODJPHDKTAL-DIOULYMOSA-N -1 1 283.302 2.599 20 0 CFADMM COC[C@@H](NC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000131221699 280713845 /nfs/dbraw/zinc/71/38/45/280713845.db2.gz SIHVPHIBWIHKLH-CYBMUJFWSA-N -1 1 289.306 2.649 20 0 CFADMM C[S@@](=O)Cc1ccccc1NC(=O)c1ccccc1[O-] ZINC000131273827 280715042 /nfs/dbraw/zinc/71/50/42/280715042.db2.gz PRFTXHADDMMVIC-FQEVSTJZSA-N -1 1 289.356 2.523 20 0 CFADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(O)cc2)no1 ZINC000132979103 280738796 /nfs/dbraw/zinc/73/87/96/280738796.db2.gz HNELZNXSDMCNPM-UHFFFAOYSA-N -1 1 272.235 2.954 20 0 CFADMM O=S(=O)([N-][C@@H]1CCCSC1)c1cc2ccccc2o1 ZINC000150836158 280796265 /nfs/dbraw/zinc/79/62/65/280796265.db2.gz UHIZPQZCEGHJCM-LLVKDONJSA-N -1 1 297.401 2.607 20 0 CFADMM C[C@@H](CNC(=O)c1c([O-])cccc1F)CC(F)(F)F ZINC000397047255 281200525 /nfs/dbraw/zinc/20/05/25/281200525.db2.gz QCXBPMMYRJJBKY-SSDOTTSWSA-N -1 1 279.233 2.850 20 0 CFADMM C[C@H](CCC1CC1)NC(=O)c1ccc([O-])cc1F ZINC000398174308 281204587 /nfs/dbraw/zinc/20/45/87/281204587.db2.gz MEPZYCQZFVNOSZ-SECBINFHSA-N -1 1 251.301 2.840 20 0 CFADMM CC1(F)CC([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000451630177 281246419 /nfs/dbraw/zinc/24/64/19/281246419.db2.gz FZKQJHDQMDSYCK-UHFFFAOYSA-N -1 1 295.738 2.648 20 0 CFADMM CCc1cc2c([n-]c(-c3cc(C)on3)nc2=O)s1 ZINC000358840115 281387549 /nfs/dbraw/zinc/38/75/49/281387549.db2.gz CVMMFPWDDVWXCI-UHFFFAOYSA-N -1 1 261.306 2.923 20 0 CFADMM CC(C)n1cc([C@@H](C)NC(=O)c2cc(F)ccc2[O-])cn1 ZINC000535718835 281505407 /nfs/dbraw/zinc/50/54/07/281505407.db2.gz IWXWXDTZEPVCJE-SNVBAGLBSA-N -1 1 291.326 2.800 20 0 CFADMM Cc1cnc(C(=O)N2CCS[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000335931144 281571111 /nfs/dbraw/zinc/57/11/11/281571111.db2.gz HMNTXMHFFKSVGM-YPMHNXCESA-N -1 1 292.404 2.596 20 0 CFADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1cc(F)ccc1[O-] ZINC000336321535 288339501 /nfs/dbraw/zinc/33/95/01/288339501.db2.gz PETOSWDWCAQTFD-KOLCDFICSA-N -1 1 251.301 2.792 20 0 CFADMM Cc1cnc(C(=O)N(C2CC2)C2CCCC2)c([O-])c1 ZINC000545882621 281695547 /nfs/dbraw/zinc/69/55/47/281695547.db2.gz JQRLOUKAOSVQHW-UHFFFAOYSA-N -1 1 260.337 2.643 20 0 CFADMM O=S(=O)([N-]C1(C2CC2)CC1)c1cc(Cl)ccc1F ZINC000551156585 281832516 /nfs/dbraw/zinc/83/25/16/281832516.db2.gz XFPGKBCWVXNCTK-UHFFFAOYSA-N -1 1 289.759 2.700 20 0 CFADMM Cc1cnc(CCSc2nc(C(F)F)cc(=O)[n-]2)cn1 ZINC000554942085 281906501 /nfs/dbraw/zinc/90/65/01/281906501.db2.gz AHNVXLSIRGLNDE-UHFFFAOYSA-N -1 1 298.318 2.553 20 0 CFADMM CCc1nnsc1C(=O)[N-]c1c(C)noc1C1CC1 ZINC000154099696 289885268 /nfs/dbraw/zinc/88/52/68/289885268.db2.gz UNNSLLINGVKOSH-UHFFFAOYSA-N -1 1 278.337 2.527 20 0 CFADMM O=C([O-])[C@H]1CC12CCN(Cc1cc(F)cc(F)c1)CC2 ZINC000405431847 290029850 /nfs/dbraw/zinc/02/98/50/290029850.db2.gz 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Cc1cc(C(=O)[N-]c2cc(F)cc(F)c2F)on1 ZINC000334803378 524161297 /nfs/dbraw/zinc/16/12/97/524161297.db2.gz FCWQILNPMFNFFQ-UHFFFAOYSA-N -1 1 256.183 2.653 20 0 CFADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])ns1 ZINC000336178044 524168361 /nfs/dbraw/zinc/16/83/61/524168361.db2.gz VEKCDPQJTANTNC-UHFFFAOYSA-N -1 1 252.270 2.549 20 0 CFADMM Cc1cccc(CN(C)C(=O)c2ccc([O-])cc2F)n1 ZINC000229788322 524372852 /nfs/dbraw/zinc/37/28/52/524372852.db2.gz XOWVSBZOEUQMLQ-UHFFFAOYSA-N -1 1 274.295 2.507 20 0 CFADMM Cc1ccc(CNC2(C(=O)[O-])CCC(C)CC2)o1 ZINC000053043560 524570803 /nfs/dbraw/zinc/57/08/03/524570803.db2.gz GVNLJSHXYJMPRW-UHFFFAOYSA-N -1 1 251.326 2.711 20 0 CFADMM C[C@@H]1CC[C@@H](N(C)C(=O)c2cc(F)ccc2[O-])C1 ZINC000335143022 524600133 /nfs/dbraw/zinc/60/01/33/524600133.db2.gz ANTAJGIPKRSJAQ-MWLCHTKSSA-N -1 1 251.301 2.792 20 0 CFADMM Cc1cccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000078776007 524657310 /nfs/dbraw/zinc/65/73/10/524657310.db2.gz IWQOYHKQWUHTLR-UHFFFAOYSA-N -1 1 299.374 2.937 20 0 CFADMM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ncccc1[O-] ZINC000336100954 525099163 /nfs/dbraw/zinc/09/91/63/525099163.db2.gz PDRYCSBIUTUTLU-DTWKUNHWSA-N -1 1 288.269 2.590 20 0 CFADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1c(F)cncc1F ZINC000336163957 525217223 /nfs/dbraw/zinc/21/72/23/525217223.db2.gz DCRUURPAMUAITG-ZETCQYMHSA-N -1 1 296.248 2.696 20 0 CFADMM Cc1cccnc1[C@@H](NC(=O)c1ncccc1[O-])C(C)C ZINC000153830031 525548373 /nfs/dbraw/zinc/54/83/73/525548373.db2.gz DWBFCGFNXPOVSB-ZDUSSCGKSA-N -1 1 285.347 2.618 20 0 CFADMM Cc1c(F)cccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000336129602 525805937 /nfs/dbraw/zinc/80/59/37/525805937.db2.gz QIIBFZWXNNWZGJ-UHFFFAOYSA-N -1 1 273.263 2.661 20 0 CFADMM C[C@@]1(F)CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000336157666 525861486 /nfs/dbraw/zinc/86/14/86/525861486.db2.gz VWFBYTDOHKWZDZ-GFCCVEGCSA-N -1 1 291.244 2.985 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@@H]2c2ccccc2)c([O-])c1 ZINC000336107221 525971588 /nfs/dbraw/zinc/97/15/88/525971588.db2.gz DEDZMZAINGLLNZ-CYBMUJFWSA-N -1 1 268.316 2.683 20 0 CFADMM C[C@@H](c1cc(F)ccc1F)N1CCC[C@H](C(=O)[O-])C1 ZINC000082249712 526030269 /nfs/dbraw/zinc/03/02/69/526030269.db2.gz GKFCGZIGDFNLOU-UWVGGRQHSA-N -1 1 269.291 2.822 20 0 CFADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccsc1 ZINC000336319926 526121321 /nfs/dbraw/zinc/12/13/21/526121321.db2.gz HUHAAQDALCJOSN-UHFFFAOYSA-N -1 1 287.337 2.697 20 0 CFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)CCC(C)C ZINC000078486561 526214062 /nfs/dbraw/zinc/21/40/62/526214062.db2.gz YPBUQVARIOQNPP-SECBINFHSA-N -1 1 297.424 2.767 20 0 CFADMM O=C(NCCC[C@H]1CCCC[C@H]1O)c1c([O-])cccc1F ZINC000334087548 526270396 /nfs/dbraw/zinc/27/03/96/526270396.db2.gz POJXTRWPOXJGAI-DGCLKSJQSA-N -1 1 295.354 2.592 20 0 CFADMM O=C([O-])c1ccc(CNCc2ccc(F)cc2F)cc1 ZINC000051017314 526367099 /nfs/dbraw/zinc/36/70/99/526367099.db2.gz MGSDDVNQGCTRHU-UHFFFAOYSA-N -1 1 277.270 2.953 20 0 CFADMM O=C(NCCc1cc2ccccc2o1)c1cncc([O-])c1 ZINC000172408485 526400309 /nfs/dbraw/zinc/40/03/09/526400309.db2.gz KZUJYLVOUDNUQJ-UHFFFAOYSA-N -1 1 282.299 2.506 20 0 CFADMM O=C([O-])c1coc(CNCc2ccc(OC(F)F)cc2)c1 ZINC000228157222 526405999 /nfs/dbraw/zinc/40/59/99/526405999.db2.gz BIENFGDGJJMHQZ-UHFFFAOYSA-N -1 1 297.257 2.869 20 0 CFADMM Cc1nc(-c2ccc(NCc3ccoc3)nc2)[n-]c(=O)c1C ZINC000174699013 526577234 /nfs/dbraw/zinc/57/72/34/526577234.db2.gz ZNUUXYBDWJATIL-UHFFFAOYSA-N -1 1 296.330 2.654 20 0 CFADMM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000412831186 526727634 /nfs/dbraw/zinc/72/76/34/526727634.db2.gz VYVRGOCTZZMTFQ-UONOGXRCSA-N -1 1 289.375 2.906 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](F)C1 ZINC000334869483 526733924 /nfs/dbraw/zinc/73/39/24/526733924.db2.gz YGGMEJGGDFMJHI-LLVKDONJSA-N -1 1 259.280 2.729 20 0 CFADMM O=C(c1ncccc1[O-])N1CC=C(c2ccc(F)cc2)CC1 ZINC000171237852 526921342 /nfs/dbraw/zinc/92/13/42/526921342.db2.gz MOKKQSZPRQMFKQ-UHFFFAOYSA-N -1 1 298.317 2.856 20 0 CFADMM O=C(c1ncccc1[O-])N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000335064944 526921588 /nfs/dbraw/zinc/92/15/88/526921588.db2.gz YPMZDMABQXEGIW-AWEZNQCLSA-N -1 1 284.315 2.748 20 0 CFADMM O=C(c1ncccc1[O-])N1CCC(c2ccccc2)CC1 ZINC000171254556 526921675 /nfs/dbraw/zinc/92/16/75/526921675.db2.gz SQFHZGHZRKPKGY-UHFFFAOYSA-N -1 1 282.343 2.807 20 0 CFADMM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1c(F)ccc([O-])c1F ZINC000335999699 526973519 /nfs/dbraw/zinc/97/35/19/526973519.db2.gz ZKTFXHWBQSNKHD-CMPLNLGQSA-N -1 1 289.281 2.956 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCCSC1 ZINC000336395560 527214363 /nfs/dbraw/zinc/21/43/63/527214363.db2.gz BQJVISKYSOOHBW-QMMMGPOBSA-N -1 1 255.314 2.613 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCc2n[nH]cc21 ZINC000334857358 527236387 /nfs/dbraw/zinc/23/63/87/527236387.db2.gz OPROAHWTQBPRFS-SECBINFHSA-N -1 1 291.738 2.827 20 0 CFADMM CC(C)(NC(=O)c1ncccc1[O-])c1cccs1 ZINC000427458378 527287676 /nfs/dbraw/zinc/28/76/76/527287676.db2.gz YHUMRGNHVFRWDS-UHFFFAOYSA-N -1 1 262.334 2.514 20 0 CFADMM O=C(Cn1ncc2ccccc21)Nc1ccc(F)cc1[O-] ZINC000340331344 527425594 /nfs/dbraw/zinc/42/55/94/527425594.db2.gz UVJJRGVXUULMAW-UHFFFAOYSA-N -1 1 285.278 2.520 20 0 CFADMM CC(C)[C@](C)(O)CNC(=O)c1ccc2ccccc2c1[O-] ZINC000174435834 527965161 /nfs/dbraw/zinc/96/51/61/527965161.db2.gz JOEHYLFGENTXDK-QGZVFWFLSA-N -1 1 287.359 2.682 20 0 CFADMM CC(C)O[C@H]1C[C@@H](N=c2[n-]c(C(F)(F)F)cs2)C1 ZINC000413376404 528076655 /nfs/dbraw/zinc/07/66/55/528076655.db2.gz BMWBOGIMQFLWPL-OCAPTIKFSA-N -1 1 280.315 2.952 20 0 CFADMM CC(C)C[C@H](C)n1nccc1NC(=O)c1cncc([O-])c1 ZINC000426889037 528491045 /nfs/dbraw/zinc/49/10/45/528491045.db2.gz CSTZWXMFLCZPSZ-NSHDSACASA-N -1 1 288.351 2.843 20 0 CFADMM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000416544516 528803117 /nfs/dbraw/zinc/80/31/17/528803117.db2.gz GKVGHRTYSWYGFZ-NWDGAFQWSA-N -1 1 297.351 2.895 20 0 CFADMM CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000427251790 528995488 /nfs/dbraw/zinc/99/54/88/528995488.db2.gz UHPWXSULFSZLLW-LLVKDONJSA-N -1 1 289.347 2.822 20 0 CFADMM CCOCc1nc(=O)c2cc(C(F)(F)F)sc2[n-]1 ZINC000416415950 529078947 /nfs/dbraw/zinc/07/89/47/529078947.db2.gz UVPBMMIDYCCRAH-UHFFFAOYSA-N -1 1 278.255 2.952 20 0 CFADMM CC[C@@H]1CCCCCN1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000426642504 529267483 /nfs/dbraw/zinc/26/74/83/529267483.db2.gz JFCYDSGUHGIDMP-GFCCVEGCSA-N -1 1 293.436 2.934 20 0 CFADMM CC1(C2([N-]S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 ZINC000451998719 535104010 /nfs/dbraw/zinc/10/40/10/535104010.db2.gz VTOAFPPGQAQTOU-UHFFFAOYSA-N -1 1 287.331 2.576 20 0 CFADMM CCC[C@@H](C(=O)Nc1ncc(C(=O)OCC)[n-]1)C(C)C ZINC000510002543 535319670 /nfs/dbraw/zinc/31/96/70/535319670.db2.gz NBFMYVBSKYRGPL-SNVBAGLBSA-N -1 1 281.356 2.597 20 0 CFADMM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000435657929 535921834 /nfs/dbraw/zinc/92/18/34/535921834.db2.gz WJANMFKKGORINT-GMSGAONNSA-N -1 1 277.748 2.556 20 0 CFADMM CCc1cc(=O)[n-]c(SCCOC2CCCC2)n1 ZINC000431924029 536154305 /nfs/dbraw/zinc/15/43/05/536154305.db2.gz GEJDKRMVRBOTKR-UHFFFAOYSA-N -1 1 268.382 2.796 20 0 CFADMM CCC[C@H](CC)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736422475 574050195 /nfs/dbraw/zinc/05/01/95/574050195.db2.gz LTWYZEMQWKZOHL-QMMMGPOBSA-N -1 1 280.763 2.906 20 0 CFADMM CCC[C@H](CC)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736422475 574050196 /nfs/dbraw/zinc/05/01/96/574050196.db2.gz LTWYZEMQWKZOHL-QMMMGPOBSA-N -1 1 280.763 2.906 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccco2)c1 ZINC000744479511 574076889 /nfs/dbraw/zinc/07/68/89/574076889.db2.gz LDSFMWLNIVOEIM-UHFFFAOYSA-N -1 1 274.272 2.587 20 0 CFADMM CCC[C@@H](C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000744769942 574087515 /nfs/dbraw/zinc/08/75/15/574087515.db2.gz OTZWBLOGBLFOFE-SNVBAGLBSA-N -1 1 290.315 2.978 20 0 CFADMM CCc1cnc(COC(=O)c2c([O-])cc(F)cc2F)o1 ZINC000744879645 574091323 /nfs/dbraw/zinc/09/13/23/574091323.db2.gz DRNHIDRYFDNJSD-UHFFFAOYSA-N -1 1 283.230 2.578 20 0 CFADMM CC(C)(C)OC1CC(CC(=O)[N-]OCC(F)(F)F)C1 ZINC000754275298 574097694 /nfs/dbraw/zinc/09/76/94/574097694.db2.gz RZHBVZSAXOGEIY-UHFFFAOYSA-N -1 1 283.290 2.580 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cncc(C)c2)c1 ZINC000745506989 574114123 /nfs/dbraw/zinc/11/41/23/574114123.db2.gz IVDFDPFWDMCTQM-UHFFFAOYSA-N -1 1 299.326 2.698 20 0 CFADMM O=C(COC(=O)c1ccc(Cl)c(Cl)c1[O-])C1CC1 ZINC000731725927 574127847 /nfs/dbraw/zinc/12/78/47/574127847.db2.gz ZLRHSNXXQFPXHJ-UHFFFAOYSA-N -1 1 289.114 2.835 20 0 CFADMM Cc1ccc2c(c1)CC[C@@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000737379457 574137938 /nfs/dbraw/zinc/13/79/38/574137938.db2.gz YMUCHJYGODDOEZ-ZDUSSCGKSA-N -1 1 292.346 2.670 20 0 CFADMM Cc1ccc2c(c1)CC[C@@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000737379457 574137939 /nfs/dbraw/zinc/13/79/39/574137939.db2.gz YMUCHJYGODDOEZ-ZDUSSCGKSA-N -1 1 292.346 2.670 20 0 CFADMM Clc1ccc(NCc2ccsc2)nc1-c1nnn[n-]1 ZINC000737575398 574147979 /nfs/dbraw/zinc/14/79/79/574147979.db2.gz TVLNMEHWYXRFRG-UHFFFAOYSA-N -1 1 292.755 2.589 20 0 CFADMM Clc1ccc(NCc2ccsc2)nc1-c1nn[n-]n1 ZINC000737575398 574147982 /nfs/dbraw/zinc/14/79/82/574147982.db2.gz TVLNMEHWYXRFRG-UHFFFAOYSA-N -1 1 292.755 2.589 20 0 CFADMM c1ccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000738434642 574169189 /nfs/dbraw/zinc/16/91/89/574169189.db2.gz HDQVCUNERANZSF-UHFFFAOYSA-N -1 1 289.302 2.554 20 0 CFADMM c1ccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000738434642 574169191 /nfs/dbraw/zinc/16/91/91/574169191.db2.gz HDQVCUNERANZSF-UHFFFAOYSA-N -1 1 289.302 2.554 20 0 CFADMM c1cnc2ccc(Oc3ncccc3-c3nn[n-]n3)cc2c1 ZINC000738445775 574169564 /nfs/dbraw/zinc/16/95/64/574169564.db2.gz ODCQBTSLJKUAJP-UHFFFAOYSA-N -1 1 290.286 2.602 20 0 CFADMM Cc1cccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)n1 ZINC000738717495 574182129 /nfs/dbraw/zinc/18/21/29/574182129.db2.gz MKSUFAPEHPUUKF-AWEZNQCLSA-N -1 1 290.750 2.959 20 0 CFADMM CC(C)N(CCCNCc1c(F)cccc1F)C(=O)[O-] ZINC000738847996 574187449 /nfs/dbraw/zinc/18/74/49/574187449.db2.gz IYWUNNTYGKJACI-UHFFFAOYSA-N -1 1 286.322 2.833 20 0 CFADMM C[C@@H]1CN(Cc2ccc(Cl)s2)CC[C@@H]1NC(=O)[O-] ZINC000739187140 574199979 /nfs/dbraw/zinc/19/99/79/574199979.db2.gz HVMHWZHHKOYZMK-SCZZXKLOSA-N -1 1 288.800 2.880 20 0 CFADMM C[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1NC(=O)[O-] ZINC000739191567 574200507 /nfs/dbraw/zinc/20/05/07/574200507.db2.gz POTNRXFXONWDQQ-GXFFZTMASA-N -1 1 282.771 2.818 20 0 CFADMM CCC/C(C)=C\C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000747710702 574207662 /nfs/dbraw/zinc/20/76/62/574207662.db2.gz NZQLJULZEVBWPC-WAYWQWQTSA-N -1 1 262.235 2.508 20 0 CFADMM O=C(NC[C@H](O)c1ccsc1)c1c([O-])cccc1Cl ZINC000740113773 574236020 /nfs/dbraw/zinc/23/60/20/574236020.db2.gz HBYHGOBVHMIPAE-NSHDSACASA-N -1 1 297.763 2.571 20 0 CFADMM O=C(OCC[C@@H]1CCCC1=O)c1c([O-])cc(F)cc1F ZINC000748185492 574236172 /nfs/dbraw/zinc/23/61/72/574236172.db2.gz XSICXYUTYZCGIX-QMMMGPOBSA-N -1 1 284.258 2.587 20 0 CFADMM O=C([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000740204133 574242512 /nfs/dbraw/zinc/24/25/12/574242512.db2.gz SSYNUBHISHRUIW-CQSZACIVSA-N -1 1 285.347 2.566 20 0 CFADMM O=C([O-])N1CC[C@@H](CN2CCCC[C@H]2c2nccs2)C1 ZINC000740500770 574251606 /nfs/dbraw/zinc/25/16/06/574251606.db2.gz RGDNPHJWLOHDNH-RYUDHWBXSA-N -1 1 295.408 2.670 20 0 CFADMM O=C([O-])N1CC[C@@H](CN2CCc3c(Cl)cccc3C2)C1 ZINC000740504198 574252497 /nfs/dbraw/zinc/25/24/97/574252497.db2.gz SYNYUNICLBZMBU-NSHDSACASA-N -1 1 294.782 2.698 20 0 CFADMM O=C(N[C@@H]1CCCSC1)c1c([O-])cccc1Cl ZINC000748859624 574271890 /nfs/dbraw/zinc/27/18/90/574271890.db2.gz YAIWJHILISFBMA-MRVPVSSYSA-N -1 1 271.769 2.671 20 0 CFADMM C[Si](C)(C)COC(=O)c1c([O-])cc(F)cc1F ZINC000740957375 574275790 /nfs/dbraw/zinc/27/57/90/574275790.db2.gz YFYWFILTICLELQ-UHFFFAOYSA-N -1 1 260.312 2.705 20 0 CFADMM Cc1ncc(COC(=O)c2c([O-])cc(F)cc2F)s1 ZINC000749281397 574288164 /nfs/dbraw/zinc/28/81/64/574288164.db2.gz YNWJPJGGOXEKGA-UHFFFAOYSA-N -1 1 285.271 2.792 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N(C)CCC3CC3)cnc2n1 ZINC000153997654 574292058 /nfs/dbraw/zinc/29/20/58/574292058.db2.gz YBVDLXJHFGXLCM-UHFFFAOYSA-N -1 1 285.347 2.516 20 0 CFADMM Cc1ccc2c(=O)c(C(=O)N(C)CCC3CC3)c[n-]c2n1 ZINC000153997654 574292059 /nfs/dbraw/zinc/29/20/59/574292059.db2.gz YBVDLXJHFGXLCM-UHFFFAOYSA-N -1 1 285.347 2.516 20 0 CFADMM Cn1cc([C@@H]([N-]C(=O)C(F)(F)C(F)F)C(C)(C)C)cn1 ZINC000750190162 574329820 /nfs/dbraw/zinc/32/98/20/574329820.db2.gz JGJISJWDSVASNA-MRVPVSSYSA-N -1 1 295.280 2.524 20 0 CFADMM CC(C)(C)CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000735602935 574330560 /nfs/dbraw/zinc/33/05/60/574330560.db2.gz SHJBTEUNKFEYLM-UHFFFAOYSA-N -1 1 297.366 2.658 20 0 CFADMM CC(C)(C)CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000735602935 574330561 /nfs/dbraw/zinc/33/05/61/574330561.db2.gz SHJBTEUNKFEYLM-UHFFFAOYSA-N -1 1 297.366 2.658 20 0 CFADMM C[C@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)[O-] ZINC000739054403 574333414 /nfs/dbraw/zinc/33/34/14/574333414.db2.gz YWYPNUDZMFDVRV-FUOZMLNRSA-N -1 1 275.333 2.540 20 0 CFADMM CC(C)CCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC000735797273 574336425 /nfs/dbraw/zinc/33/64/25/574336425.db2.gz NIFMEEKDVJAOGB-UHFFFAOYSA-N -1 1 280.353 2.521 20 0 CFADMM CCN(CC(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC000735925573 574343284 /nfs/dbraw/zinc/34/32/84/574343284.db2.gz WTVOTKXQVDZMBP-UHFFFAOYSA-N -1 1 288.322 2.996 20 0 CFADMM CC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(C)C ZINC000736368597 574365535 /nfs/dbraw/zinc/36/55/35/574365535.db2.gz HJADECKFJNBBHH-VIFPVBQESA-N -1 1 280.763 2.762 20 0 CFADMM CC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(C)C ZINC000736368597 574365536 /nfs/dbraw/zinc/36/55/36/574365536.db2.gz HJADECKFJNBBHH-VIFPVBQESA-N -1 1 280.763 2.762 20 0 CFADMM C[C@@H]1COCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000398910294 574377220 /nfs/dbraw/zinc/37/72/20/574377220.db2.gz VRUFDBMVCRAHNA-GFCCVEGCSA-N -1 1 285.343 2.796 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)CC(C)C ZINC000752224146 574389048 /nfs/dbraw/zinc/38/90/48/574389048.db2.gz FQHKVUBKWULIDG-SNVBAGLBSA-N -1 1 279.384 2.778 20 0 CFADMM CC1(CNC(=O)c2c([O-])cccc2Cl)CCOCC1 ZINC000753338665 574401571 /nfs/dbraw/zinc/40/15/71/574401571.db2.gz RSYMWRQARSQOEF-UHFFFAOYSA-N -1 1 283.755 2.592 20 0 CFADMM CCCc1ccc(CN2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000829566463 601438138 /nfs/dbraw/zinc/43/81/38/601438138.db2.gz NBYIXQXOCAYADH-OAHLLOKOSA-N -1 1 265.328 2.638 20 0 CFADMM CCCC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825225768 608346437 /nfs/dbraw/zinc/34/64/37/608346437.db2.gz XJEZQPXPGMXMBG-UHFFFAOYSA-N -1 1 293.396 2.964 20 0 CFADMM CCCC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825225768 608346438 /nfs/dbraw/zinc/34/64/38/608346438.db2.gz XJEZQPXPGMXMBG-UHFFFAOYSA-N -1 1 293.396 2.964 20 0 CFADMM Clc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000822586219 607310819 /nfs/dbraw/zinc/31/08/19/607310819.db2.gz TZJUBFIHWYUDIT-UHFFFAOYSA-N -1 1 275.699 2.725 20 0 CFADMM Clc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822586219 607310820 /nfs/dbraw/zinc/31/08/20/607310820.db2.gz TZJUBFIHWYUDIT-UHFFFAOYSA-N -1 1 275.699 2.725 20 0 CFADMM Cc1ccc(F)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000822240925 607311024 /nfs/dbraw/zinc/31/10/24/607311024.db2.gz FANXKVSMPABTCD-UHFFFAOYSA-N -1 1 289.339 2.988 20 0 CFADMM c1cc(-c2nnn[n-]2)oc1CNc1cccc2ncccc21 ZINC000823756747 607311318 /nfs/dbraw/zinc/31/13/18/607311318.db2.gz GTTGRRAFYGXPSS-UHFFFAOYSA-N -1 1 292.302 2.620 20 0 CFADMM c1cc(-c2nn[n-]n2)oc1CNc1cccc2ncccc21 ZINC000823756747 607311319 /nfs/dbraw/zinc/31/13/19/607311319.db2.gz GTTGRRAFYGXPSS-UHFFFAOYSA-N -1 1 292.302 2.620 20 0 CFADMM CCOc1cc(C)ccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821393772 607312433 /nfs/dbraw/zinc/31/24/33/607312433.db2.gz ADIWYMZGGZKULP-UHFFFAOYSA-N -1 1 299.334 2.779 20 0 CFADMM CCOc1cc(C)ccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000821393772 607312434 /nfs/dbraw/zinc/31/24/34/607312434.db2.gz ADIWYMZGGZKULP-UHFFFAOYSA-N -1 1 299.334 2.779 20 0 CFADMM O=C([O-])CCCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000821524608 597752266 /nfs/dbraw/zinc/75/22/66/597752266.db2.gz DTYGXYVMDZFZDM-HJWRWDBZSA-N -1 1 289.360 2.932 20 0 CFADMM CC[C@@H](C)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820862978 607326252 /nfs/dbraw/zinc/32/62/52/607326252.db2.gz SEXAPJJPNQHIJL-RITPCOANSA-N -1 1 286.792 2.823 20 0 CFADMM CC[C@@H](C)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820862978 607326253 /nfs/dbraw/zinc/32/62/53/607326253.db2.gz SEXAPJJPNQHIJL-RITPCOANSA-N -1 1 286.792 2.823 20 0 CFADMM Cc1ncc([C@@H](C)NCc2cccc(C(=O)[O-])c2)c(C)n1 ZINC000821189871 598192550 /nfs/dbraw/zinc/19/25/50/598192550.db2.gz BODUSDAUFDQOGR-SNVBAGLBSA-N -1 1 285.347 2.642 20 0 CFADMM C[C@@H](CC(=O)[O-])N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000820072354 598217346 /nfs/dbraw/zinc/21/73/46/598217346.db2.gz PVPRHDUHBGSHPZ-ZBEGNZNMSA-N -1 1 288.322 2.763 20 0 CFADMM CSc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821984033 599410154 /nfs/dbraw/zinc/41/01/54/599410154.db2.gz LMNDDKTXCVIACB-UHFFFAOYSA-N -1 1 287.348 2.794 20 0 CFADMM CSc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821984033 599410157 /nfs/dbraw/zinc/41/01/57/599410157.db2.gz LMNDDKTXCVIACB-UHFFFAOYSA-N -1 1 287.348 2.794 20 0 CFADMM Cc1ccc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000095323206 599413969 /nfs/dbraw/zinc/41/39/69/599413969.db2.gz SEXUOWLAOFKXSO-LLVKDONJSA-N -1 1 280.335 2.743 20 0 CFADMM Cc1ccc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000095323206 599413971 /nfs/dbraw/zinc/41/39/71/599413971.db2.gz SEXUOWLAOFKXSO-LLVKDONJSA-N -1 1 280.335 2.743 20 0 CFADMM c1cc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)co1 ZINC000823796785 599494555 /nfs/dbraw/zinc/49/45/55/599494555.db2.gz GMNXOFZWZFKBHO-UHFFFAOYSA-N -1 1 292.302 2.620 20 0 CFADMM c1cc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)co1 ZINC000823796785 599494558 /nfs/dbraw/zinc/49/45/58/599494558.db2.gz GMNXOFZWZFKBHO-UHFFFAOYSA-N -1 1 292.302 2.620 20 0 CFADMM CC(C)(C)c1n[nH]c(SCc2cc(C(=O)[O-])co2)n1 ZINC000713471963 599803653 /nfs/dbraw/zinc/80/36/53/599803653.db2.gz QHPMFIINJFXKEK-UHFFFAOYSA-N -1 1 281.337 2.686 20 0 CFADMM c1cc(-c2nnn[n-]2)oc1CN1CCSc2ccccc21 ZINC000823802708 607444013 /nfs/dbraw/zinc/44/40/13/607444013.db2.gz ZDUYUNUKVUMHIH-UHFFFAOYSA-N -1 1 299.359 2.572 20 0 CFADMM c1cc(-c2nn[n-]n2)oc1CN1CCSc2ccccc21 ZINC000823802708 607444014 /nfs/dbraw/zinc/44/40/14/607444014.db2.gz ZDUYUNUKVUMHIH-UHFFFAOYSA-N -1 1 299.359 2.572 20 0 CFADMM O=C([O-])N1CCN(CCc2ccc3ccccc3c2)CC1 ZINC000168577637 600440467 /nfs/dbraw/zinc/44/04/67/600440467.db2.gz AIFVVSJCKBXHOK-UHFFFAOYSA-N -1 1 284.359 2.678 20 0 CFADMM C/C(=C/CSc1nc(-c2ccccc2)n[nH]1)C(=O)[O-] ZINC000825792482 600726269 /nfs/dbraw/zinc/72/62/69/600726269.db2.gz FSEBPABSLLSRTG-CLFYSBASSA-N -1 1 275.333 2.595 20 0 CFADMM COc1ccccc1CN(C/C=C(/C)C(=O)[O-])C1CC1 ZINC000832612766 601053182 /nfs/dbraw/zinc/05/31/82/601053182.db2.gz BAHRVFITBVGIAH-XFXZXTDPSA-N -1 1 275.348 2.691 20 0 CFADMM C/C(=C\CN1CCC[C@@H]1c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000825741522 601163993 /nfs/dbraw/zinc/16/39/93/601163993.db2.gz OTXLSOGAMVGRLX-OALRPVAKSA-N -1 1 297.786 2.550 20 0 CFADMM C[C@H]1CN(Cc2csc(C(C)(C)C)n2)C[C@@H]1C(=O)[O-] ZINC000104212892 601540522 /nfs/dbraw/zinc/54/05/22/601540522.db2.gz IQUWYWQJLXEKHT-ONGXEEELSA-N -1 1 282.409 2.593 20 0 CFADMM CC(C)N(Cc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824297378 607516693 /nfs/dbraw/zinc/51/66/93/607516693.db2.gz VHGXYWIKCBFZJF-UHFFFAOYSA-N -1 1 294.362 2.677 20 0 CFADMM CC(C)N(Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824297378 607516695 /nfs/dbraw/zinc/51/66/95/607516695.db2.gz VHGXYWIKCBFZJF-UHFFFAOYSA-N -1 1 294.362 2.677 20 0 CFADMM CCCCc1noc(CNC2(CC(=O)[O-])CCCCC2)n1 ZINC000829440723 601877050 /nfs/dbraw/zinc/87/70/50/601877050.db2.gz PNYQMBWTFAKQQC-UHFFFAOYSA-N -1 1 295.383 2.679 20 0 CFADMM Cc1cccc(SCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000095325597 607543486 /nfs/dbraw/zinc/54/34/86/607543486.db2.gz IEKJQBCGEMMBAV-UHFFFAOYSA-N -1 1 283.360 2.862 20 0 CFADMM Cc1cccc(SCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000095325597 607543489 /nfs/dbraw/zinc/54/34/89/607543489.db2.gz IEKJQBCGEMMBAV-UHFFFAOYSA-N -1 1 283.360 2.862 20 0 CFADMM CC(C)[C@@H](C)SCc1ccnc(-c2nnn[n-]2)c1 ZINC000824192836 607550190 /nfs/dbraw/zinc/55/01/90/607550190.db2.gz MSLPVAPQPBAPMV-SECBINFHSA-N -1 1 263.370 2.539 20 0 CFADMM CC(C)[C@@H](C)SCc1ccnc(-c2nn[n-]n2)c1 ZINC000824192836 607550192 /nfs/dbraw/zinc/55/01/92/607550192.db2.gz MSLPVAPQPBAPMV-SECBINFHSA-N -1 1 263.370 2.539 20 0 CFADMM O=C([O-])c1ccc(OCCN2C[C@H]3CCC[C@@H]32)c(Cl)c1 ZINC000833322302 602208203 /nfs/dbraw/zinc/20/82/03/602208203.db2.gz ZVQJFZTWRVPEAU-YPMHNXCESA-N -1 1 295.766 2.901 20 0 CFADMM C/C(=C\CN1CCC[C@@H]1CC(=O)c1cccs1)C(=O)[O-] ZINC000825741421 602237790 /nfs/dbraw/zinc/23/77/90/602237790.db2.gz MVJMMVORBFFEQD-IGEMTJHASA-N -1 1 293.388 2.816 20 0 CFADMM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1cccc(O)c1 ZINC000825503232 603548817 /nfs/dbraw/zinc/54/88/17/603548817.db2.gz QCIVXBODSANTRU-JTQLQIEISA-N -1 1 287.319 2.728 20 0 CFADMM C[C@H](c1cccc(F)c1)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825631495 603793994 /nfs/dbraw/zinc/79/39/94/603793994.db2.gz YYIZPPXXNDAVDF-MFKMUULPSA-N -1 1 266.316 2.571 20 0 CFADMM CC(C)[C@@H](C)N(C(=O)c1cnc(C2CC2)[n-]c1=O)C1CC1 ZINC000900361007 620664812 /nfs/dbraw/zinc/66/48/12/620664812.db2.gz WLTWFGKMYZEJDN-SNVBAGLBSA-N -1 1 289.379 2.709 20 0 CFADMM O=C([O-])N[C@@H]1CCCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000832366868 604093074 /nfs/dbraw/zinc/09/30/74/604093074.db2.gz ZGAIEAYAEOPTQW-TZMCWYRMSA-N -1 1 278.327 2.545 20 0 CFADMM C[C@H](N[C@H]1CCN(C(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000825479458 604316212 /nfs/dbraw/zinc/31/62/12/604316212.db2.gz NANYWUXPHZCUNB-WPRPVWTQSA-N -1 1 286.734 2.882 20 0 CFADMM COc1cccc(F)c1[C@H](C)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000829565691 604327907 /nfs/dbraw/zinc/32/79/07/604327907.db2.gz WTZPFLPEMAIAMU-WDEREUQCSA-N -1 1 296.342 2.627 20 0 CFADMM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1c(F)cccc1F ZINC000825480084 604329117 /nfs/dbraw/zinc/32/91/17/604329117.db2.gz SOYUVZPZRFCUMJ-VHSXEESVSA-N -1 1 284.306 2.758 20 0 CFADMM COc1cccc([C@H](C)NCc2ccc(C(=O)[O-])o2)c1 ZINC000071396037 604329596 /nfs/dbraw/zinc/32/95/96/604329596.db2.gz NYIRQGHHCHHEJJ-JTQLQIEISA-N -1 1 275.304 2.837 20 0 CFADMM Cc1cc(C)c(CN(C)[C@@H](COC(C)C)C(=O)[O-])c(C)c1 ZINC000832876464 604401175 /nfs/dbraw/zinc/40/11/75/604401175.db2.gz DKFMBMHYXUZBCZ-INIZCTEOSA-N -1 1 293.407 2.922 20 0 CFADMM Cc1cc(C)cc(CN(C)[C@@H](COC(C)C)C(=O)[O-])c1 ZINC000832877720 604402762 /nfs/dbraw/zinc/40/27/62/604402762.db2.gz XDPBWAWLZZYBBP-HNNXBMFYSA-N -1 1 279.380 2.613 20 0 CFADMM O=C([O-])c1cc(CN2CCS[C@H]3CCCC[C@@H]32)c[nH]1 ZINC000833779981 604663987 /nfs/dbraw/zinc/66/39/87/604663987.db2.gz PSOOCLXBXKVBLF-STQMWFEESA-N -1 1 280.393 2.573 20 0 CFADMM O=C([O-])CC1(NCc2ncc(C(F)(F)F)s2)CCC1 ZINC000901708231 620903595 /nfs/dbraw/zinc/90/35/95/620903595.db2.gz PDAOYNIKNAIHNQ-UHFFFAOYSA-N -1 1 294.298 2.649 20 0 CFADMM O=C([O-])[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1 ZINC000833172998 604760644 /nfs/dbraw/zinc/76/06/44/604760644.db2.gz YURSBPQRVJRNOY-HNNXBMFYSA-N -1 1 271.291 2.967 20 0 CFADMM COc1ccccc1[C@H](C)N[C@@H](C(=O)[O-])c1cccnc1 ZINC000832597526 604974175 /nfs/dbraw/zinc/97/41/75/604974175.db2.gz ZHFWJRIAZCCGAN-XHDPSFHLSA-N -1 1 286.331 2.567 20 0 CFADMM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(F)cc1F ZINC000827717520 605006673 /nfs/dbraw/zinc/00/66/73/605006673.db2.gz JFXIJRWCEYNPGY-OTYXRUKQSA-N -1 1 292.285 2.836 20 0 CFADMM O=C([O-])c1csc(NC(=O)c2ccc(F)cc2O)c1 ZINC000833784796 605007875 /nfs/dbraw/zinc/00/78/75/605007875.db2.gz NRLBUMJUIIEERZ-UHFFFAOYSA-N -1 1 281.264 2.543 20 0 CFADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])[nH]2)[C@@H]1c1ccccc1 ZINC000833629817 605110318 /nfs/dbraw/zinc/11/03/18/605110318.db2.gz MRYZLQKPKHJCIF-NHYWBVRUSA-N -1 1 270.332 2.906 20 0 CFADMM CC(C)N(CCC(=O)[O-])Cc1nc2c(s1)CCCC2 ZINC000833497558 605197588 /nfs/dbraw/zinc/19/75/88/605197588.db2.gz FKESARSMFQYWRL-UHFFFAOYSA-N -1 1 282.409 2.707 20 0 CFADMM CC(C)COc1cccc(CN2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000833490630 605248058 /nfs/dbraw/zinc/24/80/58/605248058.db2.gz LJWUMOGMKWBQJX-INIZCTEOSA-N -1 1 295.354 2.720 20 0 CFADMM Cc1ccc(CN(C[C@@H]2CC(C(=O)[O-])=C(C)O2)C2CC2)o1 ZINC000833584606 605324429 /nfs/dbraw/zinc/32/44/29/605324429.db2.gz QJALFYLBOSUMHT-AWEZNQCLSA-N -1 1 291.347 2.700 20 0 CFADMM CC1=C(C(=O)[O-])C[C@H](CN2CC[C@@H]2c2cccc(F)c2)O1 ZINC000833583032 605350789 /nfs/dbraw/zinc/35/07/89/605350789.db2.gz FSIGWKAYLSEERJ-UKRRQHHQSA-N -1 1 291.322 2.720 20 0 CFADMM CC1=C(C(=O)[O-])C[C@H](CN[C@H](C)c2c(F)cccc2F)O1 ZINC000833578284 605382261 /nfs/dbraw/zinc/38/22/61/605382261.db2.gz KATVDCBFHWYCOW-PSASIEDQSA-N -1 1 297.301 2.763 20 0 CFADMM Cc1nc([C@@H](C)NC[C@@H]2CCCCN2C(=O)[O-])cs1 ZINC000830708740 605479320 /nfs/dbraw/zinc/47/93/20/605479320.db2.gz CCMXFIYYFCPYDL-KOLCDFICSA-N -1 1 283.397 2.635 20 0 CFADMM CCc1nc(CN[C@H](C)C[C@@H]2CCCN2C(=O)[O-])cs1 ZINC000827637495 605501484 /nfs/dbraw/zinc/50/14/84/605501484.db2.gz UFQAUKFHFSWQDD-PWSUYJOCSA-N -1 1 297.424 2.716 20 0 CFADMM O=C([O-])NC[C@H]1CCCN(Cc2cnc(C3CC3)s2)C1 ZINC000834217630 605556191 /nfs/dbraw/zinc/55/61/91/605556191.db2.gz YEVHSEYXPQOYIN-SNVBAGLBSA-N -1 1 295.408 2.500 20 0 CFADMM O=C([O-])N[C@H]1CCN(C/C=C/c2ccc(Cl)cc2)C1 ZINC000834188676 605567844 /nfs/dbraw/zinc/56/78/44/605567844.db2.gz ABTSRKOIXGLWIO-AORQRIRUSA-N -1 1 280.755 2.695 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(Cl)o2)C1 ZINC000833811997 605595557 /nfs/dbraw/zinc/59/55/57/605595557.db2.gz GJKKJKRSAOHIDV-ZJUUUORDSA-N -1 1 286.759 2.801 20 0 CFADMM CC[C@@H](C)[C@H](C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833637354 605627200 /nfs/dbraw/zinc/62/72/00/605627200.db2.gz DGXSJVURQRQNHO-BDAKNGLRSA-N -1 1 289.335 2.882 20 0 CFADMM CC(C)Oc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1 ZINC000820178578 606431423 /nfs/dbraw/zinc/43/14/23/606431423.db2.gz UNMRREXSPYSYIP-UHFFFAOYSA-N -1 1 297.318 2.841 20 0 CFADMM CC[C@@H]1C[C@H](C)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820973465 606470818 /nfs/dbraw/zinc/47/08/18/606470818.db2.gz XMOHWVVEWRFKJV-DTWKUNHWSA-N -1 1 292.774 2.540 20 0 CFADMM CC[C@@H]1C[C@H](C)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820973465 606470816 /nfs/dbraw/zinc/47/08/16/606470816.db2.gz XMOHWVVEWRFKJV-DTWKUNHWSA-N -1 1 292.774 2.540 20 0 CFADMM c1cc(-c2nc(C3CCCC3)no2)sc1-c1nnn[n-]1 ZINC000823738013 606620451 /nfs/dbraw/zinc/62/04/51/606620451.db2.gz MZXLYTNTDMILPN-UHFFFAOYSA-N -1 1 288.336 2.636 20 0 CFADMM c1cc(-c2nc(C3CCCC3)no2)sc1-c1nn[n-]n1 ZINC000823738013 606620453 /nfs/dbraw/zinc/62/04/53/606620453.db2.gz MZXLYTNTDMILPN-UHFFFAOYSA-N -1 1 288.336 2.636 20 0 CFADMM Fc1ccccc1COc1cccc(F)c1-c1nnn[n-]1 ZINC000826378447 607865698 /nfs/dbraw/zinc/86/56/98/607865698.db2.gz KOVJRAVLEOEGNN-UHFFFAOYSA-N -1 1 288.257 2.724 20 0 CFADMM Fc1ccccc1COc1cccc(F)c1-c1nn[n-]n1 ZINC000826378447 607865699 /nfs/dbraw/zinc/86/56/99/607865699.db2.gz KOVJRAVLEOEGNN-UHFFFAOYSA-N -1 1 288.257 2.724 20 0 CFADMM Fc1ccc(Sc2cccc(-c3nnn[n-]3)n2)c(F)c1 ZINC000095163603 607895180 /nfs/dbraw/zinc/89/51/80/607895180.db2.gz ZCTUQKDJUYRLAB-UHFFFAOYSA-N -1 1 291.286 2.691 20 0 CFADMM Fc1ccc(Sc2cccc(-c3nn[n-]n3)n2)c(F)c1 ZINC000095163603 607895181 /nfs/dbraw/zinc/89/51/81/607895181.db2.gz ZCTUQKDJUYRLAB-UHFFFAOYSA-N -1 1 291.286 2.691 20 0 CFADMM CSCc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826228885 607898293 /nfs/dbraw/zinc/89/82/93/607898293.db2.gz FLIUXLRAIUMQQZ-UHFFFAOYSA-N -1 1 298.375 2.868 20 0 CFADMM CSCc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826228885 607898294 /nfs/dbraw/zinc/89/82/94/607898294.db2.gz FLIUXLRAIUMQQZ-UHFFFAOYSA-N -1 1 298.375 2.868 20 0 CFADMM CC(=O)c1ccc(Oc2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC000824029883 607898595 /nfs/dbraw/zinc/89/85/95/607898595.db2.gz SVDNKMBXIAGPRY-UHFFFAOYSA-N -1 1 295.302 2.565 20 0 CFADMM CC(=O)c1ccc(Oc2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC000824029883 607898596 /nfs/dbraw/zinc/89/85/96/607898596.db2.gz SVDNKMBXIAGPRY-UHFFFAOYSA-N -1 1 295.302 2.565 20 0 CFADMM c1cc(-c2nnn[n-]2)nc(N2CCCC23CCCCC3)c1 ZINC000826514613 607970105 /nfs/dbraw/zinc/97/01/05/607970105.db2.gz XHYOLECDDWOLNK-UHFFFAOYSA-N -1 1 284.367 2.565 20 0 CFADMM c1cc(-c2nn[n-]n2)nc(N2CCCC23CCCCC3)c1 ZINC000826514613 607970106 /nfs/dbraw/zinc/97/01/06/607970106.db2.gz XHYOLECDDWOLNK-UHFFFAOYSA-N -1 1 284.367 2.565 20 0 CFADMM c1cc(-c2nnn[n-]2)oc1CNc1cncc2ccccc21 ZINC000826523262 607977835 /nfs/dbraw/zinc/97/78/35/607977835.db2.gz HBJDIQBWLYDBFC-UHFFFAOYSA-N -1 1 292.302 2.620 20 0 CFADMM c1cc(-c2nn[n-]n2)oc1CNc1cncc2ccccc21 ZINC000826523262 607977836 /nfs/dbraw/zinc/97/78/36/607977836.db2.gz HBJDIQBWLYDBFC-UHFFFAOYSA-N -1 1 292.302 2.620 20 0 CFADMM CSCCCCCCNc1cccc(-c2nnn[n-]2)n1 ZINC000826228328 609588331 /nfs/dbraw/zinc/58/83/31/609588331.db2.gz LSOKJSCMMQFVPH-UHFFFAOYSA-N -1 1 292.412 2.597 20 0 CFADMM CSCCCCCCNc1cccc(-c2nn[n-]n2)n1 ZINC000826228328 609588333 /nfs/dbraw/zinc/58/83/33/609588333.db2.gz LSOKJSCMMQFVPH-UHFFFAOYSA-N -1 1 292.412 2.597 20 0 CFADMM C[C@H]1CCC[C@H](C)C1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900739854 620709102 /nfs/dbraw/zinc/70/91/02/620709102.db2.gz SQHSRKUYUWEKNZ-UWVGGRQHSA-N -1 1 289.379 2.614 20 0 CFADMM COCc1nc(N[C@H](C)c2ccc(OC)cc2)cc(=O)[n-]1 ZINC000892100899 617949100 /nfs/dbraw/zinc/94/91/00/617949100.db2.gz JZRSMXNYANHJME-SNVBAGLBSA-N -1 1 289.335 2.510 20 0 CFADMM C[C@]12CSC[C@H]1CN(C(=O)c1ccc(Cl)cc1[O-])C2 ZINC000891191350 618030299 /nfs/dbraw/zinc/03/02/99/618030299.db2.gz QXMHYEXSTUDTCL-OTYXRUKQSA-N -1 1 297.807 2.871 20 0 CFADMM COc1cccc(CNC(=O)c2c([O-])cccc2Cl)c1 ZINC000049082439 618078622 /nfs/dbraw/zinc/07/86/22/618078622.db2.gz BJXQSWPJTFFBEG-UHFFFAOYSA-N -1 1 291.734 2.984 20 0 CFADMM CC(=CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccco1 ZINC000891615428 617685784 /nfs/dbraw/zinc/68/57/84/617685784.db2.gz RLTXDSADZQQISH-MDZDMXLPSA-N -1 1 299.330 2.696 20 0 CFADMM C[C@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccccc1 ZINC000891618598 617688141 /nfs/dbraw/zinc/68/81/41/617688141.db2.gz RHUQFJBCMHSSCQ-NSHDSACASA-N -1 1 297.358 2.803 20 0 CFADMM COCc1nc(N2CCC[C@@H]2c2ccc(C)cc2)cc(=O)[n-]1 ZINC000891695110 617713584 /nfs/dbraw/zinc/71/35/84/617713584.db2.gz VJFZAVRLZPAEMC-CQSZACIVSA-N -1 1 299.374 2.979 20 0 CFADMM CC1(CNC(=O)c2cnc(C3CC3)[n-]c2=O)CCCCC1 ZINC000901022170 620746114 /nfs/dbraw/zinc/74/61/14/620746114.db2.gz AFSXZHVTWQSKFN-UHFFFAOYSA-N -1 1 289.379 2.760 20 0 CFADMM CN(CCC1CC1)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000901158547 620755484 /nfs/dbraw/zinc/75/54/84/620755484.db2.gz IAKYTYVJVLDOKC-UHFFFAOYSA-N -1 1 288.322 2.952 20 0 CFADMM COCc1nc(N2CCC[C@@H]2c2cccc(C)c2)cc(=O)[n-]1 ZINC000891943294 617841488 /nfs/dbraw/zinc/84/14/88/617841488.db2.gz PJCPIRITSNKSSI-CQSZACIVSA-N -1 1 299.374 2.979 20 0 CFADMM O=C(N[C@@H](c1ccncc1)C1CC1)c1c([O-])cccc1F ZINC000890912125 617944905 /nfs/dbraw/zinc/94/49/05/617944905.db2.gz ZNACYWGFVFCYSM-OAHLLOKOSA-N -1 1 286.306 2.807 20 0 CFADMM CC(C)(C(=O)[N-]O[C@@H]1CCCCO1)C1CCCC1 ZINC000161995995 618195667 /nfs/dbraw/zinc/19/56/67/618195667.db2.gz JIVBZAYMRFMMNY-GFCCVEGCSA-N -1 1 255.358 2.777 20 0 CFADMM O=C1N[C@@H](c2cc(F)c([O-])c(F)c2)Nc2ccccc21 ZINC000175926209 618219677 /nfs/dbraw/zinc/21/96/77/618219677.db2.gz TXMVDOTXALDHKJ-ZDUSSCGKSA-N -1 1 276.242 2.525 20 0 CFADMM C[C@@H](C[N-]C(=O)C(F)(F)C(F)F)Oc1cccc(F)c1 ZINC000176923373 618229068 /nfs/dbraw/zinc/22/90/68/618229068.db2.gz SHGOVMULRHGURB-ZETCQYMHSA-N -1 1 297.223 2.610 20 0 CFADMM C[C@H](NCc1ccoc1C(=O)[O-])c1ccsc1 ZINC000235520245 618363095 /nfs/dbraw/zinc/36/30/95/618363095.db2.gz CRZPDZFVIIJOLF-QMMMGPOBSA-N -1 1 251.307 2.890 20 0 CFADMM Cc1oc(C(=O)[O-])cc1CNCc1cccc(C)c1 ZINC000235895341 618458799 /nfs/dbraw/zinc/45/87/99/618458799.db2.gz MAHGQDGXILTJTJ-UHFFFAOYSA-N -1 1 259.305 2.884 20 0 CFADMM CN(Cc1ccccc1Br)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000258825583 618470556 /nfs/dbraw/zinc/47/05/56/618470556.db2.gz GQQXHCDEBFDIGC-WDEREUQCSA-N -1 1 298.180 2.602 20 0 CFADMM [O-]c1cccc(CN2c3ccccc3C[C@@H]2CO)c1Cl ZINC000895243340 618494724 /nfs/dbraw/zinc/49/47/24/618494724.db2.gz SBKFWLRZKATPON-CYBMUJFWSA-N -1 1 289.762 2.969 20 0 CFADMM O=C([O-])CC1CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000901419350 620812721 /nfs/dbraw/zinc/81/27/21/620812721.db2.gz PBKDXQZIURVFQS-UHFFFAOYSA-N -1 1 294.420 2.709 20 0 CFADMM O=C([O-])CC1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000901418427 620812835 /nfs/dbraw/zinc/81/28/35/620812835.db2.gz DVQCCVKWADOJSU-UHFFFAOYSA-N -1 1 280.393 2.707 20 0 CFADMM CCOc1ccc(CN2CCC(CC(=O)[O-])CC2)cc1F ZINC000901420291 620813379 /nfs/dbraw/zinc/81/33/79/620813379.db2.gz NHMYBQHNIRUPEG-UHFFFAOYSA-N -1 1 295.354 2.911 20 0 CFADMM C[C@H](CC(F)(F)F)NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000901450706 620816895 /nfs/dbraw/zinc/81/68/95/620816895.db2.gz OJOHWZQJFDPVAK-PULIVWKDSA-N -1 1 277.242 2.808 20 0 CFADMM C[C@@H]1[C@H](C)SCCN1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000901433869 620819090 /nfs/dbraw/zinc/81/90/90/620819090.db2.gz MYNNWRIDPWFTRB-MXFLAHGMSA-N -1 1 281.377 2.703 20 0 CFADMM CC(C)n1c(CNC(=O)CC2CCCC2)n[n-]c1=S ZINC000066639803 618633771 /nfs/dbraw/zinc/63/37/71/618633771.db2.gz ZFAAYNCRATXKPB-UHFFFAOYSA-N -1 1 282.413 2.718 20 0 CFADMM CC(C)n1c(CNC(=O)C2CCCCC2)n[n-]c1=S ZINC000066650270 618636824 /nfs/dbraw/zinc/63/68/24/618636824.db2.gz HZKZVASUKDEFPC-UHFFFAOYSA-N -1 1 282.413 2.718 20 0 CFADMM C[C@H](CNC(=O)c1ccc([O-])cc1F)C(C)(C)C ZINC000229787823 618643802 /nfs/dbraw/zinc/64/38/02/618643802.db2.gz HNOVRLMRJMUUQA-SECBINFHSA-N -1 1 253.317 2.943 20 0 CFADMM Cc1ccccc1CS(=O)(=O)[N-]c1cccc(Cl)n1 ZINC000163393453 618675706 /nfs/dbraw/zinc/67/57/06/618675706.db2.gz VQIVCDHCEUZDQO-UHFFFAOYSA-N -1 1 296.779 2.985 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CC[C@H](C(F)(F)F)C1 ZINC000311626192 618717696 /nfs/dbraw/zinc/71/76/96/618717696.db2.gz JWJRWNYWQGLESU-ZETCQYMHSA-N -1 1 277.217 2.556 20 0 CFADMM CC(Cl)(Cl)C(=O)[N-]Nc1ccc(C#N)c(Cl)c1 ZINC000182344760 625289016 /nfs/dbraw/zinc/28/90/16/625289016.db2.gz GCVIVBZHSWQESW-UHFFFAOYSA-N -1 1 292.553 2.849 20 0 CFADMM CO[C@H]1CN(C(=O)c2c([O-])cccc2Cl)CC[C@H]1C ZINC000784661096 618787677 /nfs/dbraw/zinc/78/76/77/618787677.db2.gz HXIOPKUGCYSWRV-SKDRFNHKSA-N -1 1 283.755 2.543 20 0 CFADMM O=C(C[C@@H]1CC=CCC1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000930469767 618836103 /nfs/dbraw/zinc/83/61/03/618836103.db2.gz JEYDWCUVRQXDHB-SSDOTTSWSA-N -1 1 274.246 2.508 20 0 CFADMM COCc1nc(N2CC[C@@H](c3ccc(C)cc3)C2)cc(=O)[n-]1 ZINC000893141134 618845006 /nfs/dbraw/zinc/84/50/06/618845006.db2.gz BETHIKPAMULLNL-CQSZACIVSA-N -1 1 299.374 2.631 20 0 CFADMM CC[C@@H]1Cc2ccccc2CN1c1cc(=O)[n-]c(COC)n1 ZINC000893211796 618885475 /nfs/dbraw/zinc/88/54/75/618885475.db2.gz YHIPYBXZZKGXTK-CQSZACIVSA-N -1 1 299.374 2.670 20 0 CFADMM [O-]c1ccc(C=NNc2ccccn2)cc1Br ZINC000254522046 619067150 /nfs/dbraw/zinc/06/71/50/619067150.db2.gz YMMHTWHFJBWWLC-UHFFFAOYSA-N -1 1 292.136 2.996 20 0 CFADMM Cc1oc(C(=O)[O-])cc1CNCc1cccs1 ZINC000232448128 619177952 /nfs/dbraw/zinc/17/79/52/619177952.db2.gz MYPSKHODVCSFEA-UHFFFAOYSA-N -1 1 251.307 2.638 20 0 CFADMM CC1(C)CO[C@H](CC(=O)Nc2c([O-])cccc2F)C1 ZINC000896403319 619729557 /nfs/dbraw/zinc/72/95/57/619729557.db2.gz PDYSAUNVEUBXPL-SECBINFHSA-N -1 1 267.300 2.675 20 0 CFADMM C[C@]1(C(=O)[N-]OCc2ccccn2)C[C@@H]1c1ccccc1 ZINC000909543656 619859169 /nfs/dbraw/zinc/85/91/69/619859169.db2.gz DUDLHCWTRQUCKQ-WBVHZDCISA-N -1 1 282.343 2.823 20 0 CFADMM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000909565612 619881039 /nfs/dbraw/zinc/88/10/39/619881039.db2.gz CZUCZFMPNZKPEH-QLJPJBMISA-N -1 1 289.379 2.758 20 0 CFADMM C[C@H]1CCCC[C@]1(C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000909565611 619881206 /nfs/dbraw/zinc/88/12/06/619881206.db2.gz CZUCZFMPNZKPEH-QFYYESIMSA-N -1 1 289.379 2.758 20 0 CFADMM COCC1(c2noc(Cc3ccc([O-])c(Cl)c3)n2)CC1 ZINC000897056094 619921614 /nfs/dbraw/zinc/92/16/14/619921614.db2.gz VYMVCZUMJITBPE-UHFFFAOYSA-N -1 1 294.738 2.697 20 0 CFADMM CCc1ccc(C(=O)N2CCc3ncc(C)cc32)c([O-])c1 ZINC000888144526 620127648 /nfs/dbraw/zinc/12/76/48/620127648.db2.gz KNTSPSXMUPRDPI-UHFFFAOYSA-N -1 1 282.343 2.861 20 0 CFADMM CCCc1nc(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)cs1 ZINC000263344692 620135759 /nfs/dbraw/zinc/13/57/59/620135759.db2.gz OGPSUSYJSOAJFX-GHMZBOCLSA-N -1 1 282.409 2.638 20 0 CFADMM CC(C)(C)[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)CCO1 ZINC000263378733 620137394 /nfs/dbraw/zinc/13/73/94/620137394.db2.gz BCKISGIMFMRHDU-AWEZNQCLSA-N -1 1 277.364 2.632 20 0 CFADMM CC(C)(C)[C@@H]1CN(Cc2cccc(C(=O)[O-])c2)CCO1 ZINC000263378733 620137395 /nfs/dbraw/zinc/13/73/95/620137395.db2.gz BCKISGIMFMRHDU-AWEZNQCLSA-N -1 1 277.364 2.632 20 0 CFADMM Cc1cc2cc(CN(C)[C@@H](C)C(=O)[O-])oc2cc1C ZINC000263408596 620141117 /nfs/dbraw/zinc/14/11/17/620141117.db2.gz KQMUCBAHYQTWGW-NSHDSACASA-N -1 1 261.321 2.955 20 0 CFADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(F)c(F)c(F)c1 ZINC000263521044 620153872 /nfs/dbraw/zinc/15/38/72/620153872.db2.gz RADSWAOHLNEKTG-WCBMZHEXSA-N -1 1 287.281 2.789 20 0 CFADMM O=C(C[C@H]1CCC2(CCC2)O1)Nc1nc(Cl)ccc1[O-] ZINC000897530955 620219938 /nfs/dbraw/zinc/21/99/38/620219938.db2.gz QJNDAFRWYLQLBF-SECBINFHSA-N -1 1 296.754 2.871 20 0 CFADMM CSc1cc(C)ccc1[N-]C(=O)c1nonc1C ZINC000840502205 620259524 /nfs/dbraw/zinc/25/95/24/620259524.db2.gz USJIMINUXIDLBT-UHFFFAOYSA-N -1 1 263.322 2.661 20 0 CFADMM CCn1c2ccccc2nc1NC(=O)c1ccc(O)cc1[O-] ZINC000192740065 620426242 /nfs/dbraw/zinc/42/62/42/620426242.db2.gz HTNUBTHNYSNWNF-UHFFFAOYSA-N -1 1 297.314 2.720 20 0 CFADMM CC(C)Cn1ccc(C(=O)Nc2cccc(F)c2[O-])n1 ZINC000899143008 620524607 /nfs/dbraw/zinc/52/46/07/620524607.db2.gz YZXFGQPWCKAEBE-UHFFFAOYSA-N -1 1 277.299 2.636 20 0 CFADMM CC(C)Cc1ccc(C=C2SC(=O)[N-]C2=O)cn1 ZINC000899341324 620546927 /nfs/dbraw/zinc/54/69/27/620546927.db2.gz ZOAHHURNCZVGPY-IZZDOVSWSA-N -1 1 262.334 2.604 20 0 CFADMM Cc1[n-]n(-c2ccc(F)c(F)c2)c(=O)c1C1CC1 ZINC000899360697 620552339 /nfs/dbraw/zinc/55/23/39/620552339.db2.gz NSJLPCKXSWOEQE-LBPRGKRZSA-N -1 1 250.248 2.714 20 0 CFADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000899404577 620563205 /nfs/dbraw/zinc/56/32/05/620563205.db2.gz HJVWEYGWLPZJSN-KATARQTJSA-N -1 1 281.302 2.692 20 0 CFADMM CCc1onc(C)c1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC000900041760 620627504 /nfs/dbraw/zinc/62/75/04/620627504.db2.gz SLIFQOBQIRENNM-UHFFFAOYSA-N -1 1 288.347 2.842 20 0 CFADMM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(C)c2)o1 ZINC000900046474 620629093 /nfs/dbraw/zinc/62/90/93/620629093.db2.gz LPJYETXWYFJSFB-CQSZACIVSA-N -1 1 289.331 2.902 20 0 CFADMM CCc1ccccc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900071700 620631579 /nfs/dbraw/zinc/63/15/79/620631579.db2.gz PGGNGWXTJCGHBI-UHFFFAOYSA-N -1 1 283.331 2.874 20 0 CFADMM CO[C@H](C)[C@H](NCc1csc(Cl)c1Cl)C(=O)[O-] 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CC[C@@]1(C(=O)[O-])CCCN([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000923469759 626475453 /nfs/dbraw/zinc/47/54/53/626475453.db2.gz XYKNIXQQHBIFPP-XHDPSFHLSA-N -1 1 295.383 2.831 20 0 CFADMM CC(C)(C)c1nc(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)co1 ZINC000923532052 626478813 /nfs/dbraw/zinc/47/88/13/626478813.db2.gz YBQZMAQBDQCKFU-QWHCGFSZSA-N -1 1 292.379 2.515 20 0 CFADMM COc1ccc(-c2nc(-c3cccc(N)c3)no2)c([O-])c1 ZINC000758285758 626587144 /nfs/dbraw/zinc/58/71/44/626587144.db2.gz OKMQPFCMGIPOOM-UHFFFAOYSA-N -1 1 283.287 2.700 20 0 CFADMM CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000758969484 626621230 /nfs/dbraw/zinc/62/12/30/626621230.db2.gz BNFWNWOQGDHXFM-SSDOTTSWSA-N -1 1 296.186 2.509 20 0 CFADMM C[C@@H](CC(=O)[N-]OCC(F)F)c1ccccc1F ZINC000759337043 626646623 /nfs/dbraw/zinc/64/66/23/626646623.db2.gz KOUSZVZYTSHONL-QMMMGPOBSA-N -1 1 261.243 2.632 20 0 CFADMM O=C(CCc1cc(Cl)cs1)[N-]OCC(F)F ZINC000759350539 626649372 /nfs/dbraw/zinc/64/93/72/626649372.db2.gz DNXZNTNKQWUINW-UHFFFAOYSA-N -1 1 269.700 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HJKQMSGYAPPFLA-UHFFFAOYSA-N -1 1 291.347 2.908 20 0 CFADMM CC[C@H]1CCC[C@@H](OC(=O)c2ccc(C(=O)OC)[n-]2)C1 ZINC000796899590 629986742 /nfs/dbraw/zinc/98/67/42/629986742.db2.gz YRBYPLYQKYOSOQ-WDEREUQCSA-N -1 1 279.336 2.927 20 0 CFADMM COC(=O)c1ccc(C(=O)OCc2sccc2Cl)[n-]1 ZINC000797175134 630032233 /nfs/dbraw/zinc/03/22/33/630032233.db2.gz FXASPLIWBLFYIP-UHFFFAOYSA-N -1 1 299.735 2.873 20 0 CFADMM CCOc1cccc(CC(=O)Nc2c([O-])cccc2F)n1 ZINC000797958217 630131624 /nfs/dbraw/zinc/13/16/24/630131624.db2.gz HVKRXTHTTHPYTE-UHFFFAOYSA-N -1 1 290.294 2.506 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CCC[C@H]1C ZINC000799059120 630271664 /nfs/dbraw/zinc/27/16/64/630271664.db2.gz LONJTZMXOFTQSG-PWSUYJOCSA-N -1 1 291.395 2.780 20 0 CFADMM CC(C)(C)O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)C1(C)C ZINC000839928809 630426750 /nfs/dbraw/zinc/42/67/50/630426750.db2.gz OASMUYYVRMAVTL-JGVFFNPUSA-N -1 1 267.291 2.647 20 0 CFADMM O=C(O[C@@H]1C=CCCC1)c1nn(-c2ccccc2)cc1[O-] ZINC000801202807 630433540 /nfs/dbraw/zinc/43/35/40/630433540.db2.gz BZZZMYGBPBADSK-CYBMUJFWSA-N -1 1 284.315 2.843 20 0 CFADMM O=C(OCC1CC1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801359237 630442642 /nfs/dbraw/zinc/44/26/42/630442642.db2.gz SMPZEERYODNQQY-UHFFFAOYSA-N -1 1 292.722 2.798 20 0 CFADMM CC(C)C(=O)c1ccc([C@@H](C)C(=O)[N-]OCC(F)F)cc1 ZINC000801949232 630494191 /nfs/dbraw/zinc/49/41/91/630494191.db2.gz KWOZYFPCBOQQQQ-SNVBAGLBSA-N -1 1 299.317 2.942 20 0 CFADMM CCc1cc(=O)[n-]c(SCC[C@H](O)c2ccccc2)n1 ZINC000806583782 630817007 /nfs/dbraw/zinc/81/70/07/630817007.db2.gz KIFWRFPRKNVXOE-ZDUSSCGKSA-N -1 1 290.388 2.960 20 0 CFADMM CC(C)[C@@H](CO)O[N-]C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000836897999 630911709 /nfs/dbraw/zinc/91/17/09/630911709.db2.gz YYSYUBMEDMJJTF-ZWNOBZJWSA-N -1 1 285.771 2.508 20 0 CFADMM CCn1cc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)cn1 ZINC000837040842 630942855 /nfs/dbraw/zinc/94/28/55/630942855.db2.gz KUKUCJLWCDYWSV-SECBINFHSA-N -1 1 293.754 2.753 20 0 CFADMM CCc1cc(=O)[n-]c(SCOC2CCCC2)n1 ZINC000808033695 630943826 /nfs/dbraw/zinc/94/38/26/630943826.db2.gz NNMLUEHDLRXMOE-UHFFFAOYSA-N -1 1 254.355 2.753 20 0 CFADMM CCCCC[C@H](O)C(=O)Nc1ccc([O-])c(F)c1F ZINC000837085378 630951448 /nfs/dbraw/zinc/95/14/48/630951448.db2.gz AREXTUKIZWIJTI-JTQLQIEISA-N -1 1 273.279 2.550 20 0 CFADMM CC1(C)CN(C(=O)c2c([O-])cccc2Cl)[C@@H]2COC[C@@H]21 ZINC000837183015 630971055 /nfs/dbraw/zinc/97/10/55/630971055.db2.gz VTUFTSIYXPDAAH-GXSJLCMTSA-N -1 1 295.766 2.543 20 0 CFADMM C[C@@H](C(=O)Nc1nc(Br)ccc1[O-])C1CCC1 ZINC000837574423 631073111 /nfs/dbraw/zinc/07/31/11/631073111.db2.gz HCOTUASQMLOHGH-SSDOTTSWSA-N -1 1 299.168 2.924 20 0 CFADMM COCCN(CCF)C(=O)c1ccc2ccccc2c1[O-] ZINC000855588055 635592062 /nfs/dbraw/zinc/59/20/62/635592062.db2.gz ZMNRJLORZIKQCC-UHFFFAOYSA-N -1 1 291.322 2.604 20 0 CFADMM CS[C@H]1CC[C@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000809698578 631266985 /nfs/dbraw/zinc/26/69/85/631266985.db2.gz ZZHIJPZZYPOQKB-YUMQZZPRSA-N -1 1 287.331 2.684 20 0 CFADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccoc2)c1 ZINC000841795051 631472600 /nfs/dbraw/zinc/47/26/00/631472600.db2.gz FRZJLEXGEBQOMK-CQSZACIVSA-N -1 1 275.304 2.594 20 0 CFADMM Cc1cccc([C@H](C)C(=O)[N-]OC/C=C\Cl)c1 ZINC000812401941 631703030 /nfs/dbraw/zinc/70/30/30/631703030.db2.gz BPGKAISCDHPDKR-IBHLPDHGSA-N -1 1 253.729 2.899 20 0 CFADMM O=C(NOC1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000812792232 631778926 /nfs/dbraw/zinc/77/89/26/631778926.db2.gz QJFNCBWNGGIQAH-UHFFFAOYSA-N -1 1 275.226 2.625 20 0 CFADMM O=C([O-])CCCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000843329983 631929757 /nfs/dbraw/zinc/92/97/57/631929757.db2.gz BHUNAWYXVYONPF-UHFFFAOYSA-N -1 1 297.261 2.694 20 0 CFADMM CCCCOc1ccc(C(=O)Nc2n[nH]cc2C)c([O-])c1 ZINC000813538069 631930334 /nfs/dbraw/zinc/93/03/34/631930334.db2.gz BJJRYNRDXLXYGV-UHFFFAOYSA-N -1 1 289.335 2.855 20 0 CFADMM CC(F)(F)C(=O)[N-][C@@H](C1CCCC1)C(F)(F)F ZINC000815769006 632319508 /nfs/dbraw/zinc/31/95/08/632319508.db2.gz UEAQTGRPRJRIDC-ZETCQYMHSA-N -1 1 259.218 2.879 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C)[n-]1 ZINC000816224624 632398049 /nfs/dbraw/zinc/39/80/49/632398049.db2.gz IDGUXMQWPQMOHG-GIPNMCIBSA-N -1 1 279.336 2.783 20 0 CFADMM C[C@]1(C(=O)Nc2nc(Cl)ccc2[O-])C[C@H]2C[C@H]2C1 ZINC000816426844 632454029 /nfs/dbraw/zinc/45/40/29/632454029.db2.gz ZHBXVZPMEJTCIR-BWPRHRIFSA-N -1 1 266.728 2.815 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1Cc2ccncc2C1 ZINC000816581373 632489098 /nfs/dbraw/zinc/48/90/98/632489098.db2.gz SQBXKLYIBDVSMI-UHFFFAOYSA-N -1 1 274.707 2.597 20 0 CFADMM Cc1nc2ccccc2n1CCC(=O)[N-]Oc1ccccc1 ZINC000816684505 632511331 /nfs/dbraw/zinc/51/13/31/632511331.db2.gz DOCBDFCARNDNBB-UHFFFAOYSA-N -1 1 295.342 2.845 20 0 CFADMM Cc1ncoc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000816707489 632514968 /nfs/dbraw/zinc/51/49/68/632514968.db2.gz PLXQWGZJNFPXJW-UHFFFAOYSA-N -1 1 282.299 2.772 20 0 CFADMM CCC(CC)(CNC(=O)c1c([O-])cccc1Cl)OC ZINC000817056395 632549342 /nfs/dbraw/zinc/54/93/42/632549342.db2.gz AYGLDYOPLPBCOB-UHFFFAOYSA-N -1 1 285.771 2.981 20 0 CFADMM CC[C@H]1C[C@@H](NC(=O)c2c([O-])cccc2Cl)CCO1 ZINC000817642926 632680735 /nfs/dbraw/zinc/68/07/35/632680735.db2.gz DZDDCLGQSLRSBS-UWVGGRQHSA-N -1 1 283.755 2.733 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@H](CCO)CC1 ZINC000817698996 632687157 /nfs/dbraw/zinc/68/71/57/632687157.db2.gz YNZOHMJSHZPMBR-NSHDSACASA-N -1 1 297.782 2.670 20 0 CFADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)C2(CCC2)CO1 ZINC000846514127 632721360 /nfs/dbraw/zinc/72/13/60/632721360.db2.gz XKSCXCWACXPIRJ-JTQLQIEISA-N -1 1 295.766 2.829 20 0 CFADMM CCCc1nc(-c2nc3cc4c(cc3c(=O)[n-]2)OCO4)co1 ZINC000846759217 632788378 /nfs/dbraw/zinc/78/83/78/632788378.db2.gz MNMXXQYHIITDBN-UHFFFAOYSA-N -1 1 299.286 2.672 20 0 CFADMM O=C([O-])CC[C@@H]1CCCCN1Cc1cccnc1Cl ZINC000818329437 632829014 /nfs/dbraw/zinc/82/90/14/632829014.db2.gz XAEYZGGIJQBDHG-LBPRGKRZSA-N -1 1 282.771 2.954 20 0 CFADMM CC(C)C1(NC(=O)c2c([O-])cccc2Cl)CC1 ZINC000818356061 632837500 /nfs/dbraw/zinc/83/75/00/632837500.db2.gz SXAUKFHXBDVXJX-UHFFFAOYSA-N -1 1 253.729 2.964 20 0 CFADMM COc1ccc2c(c1)[C@@H](C(=O)[N-]OCC1CC1)CCC2 ZINC000848129826 633208841 /nfs/dbraw/zinc/20/88/41/633208841.db2.gz YKYJVFGJPZUPPE-AWEZNQCLSA-N -1 1 275.348 2.573 20 0 CFADMM O=C([O-])[C@H](F)CNCc1cccc(C2CCCC2)c1 ZINC000849230994 633586891 /nfs/dbraw/zinc/58/68/91/633586891.db2.gz PWRWERRUJXNJOQ-CQSZACIVSA-N -1 1 265.328 2.857 20 0 CFADMM COC(=O)c1c[n-]c(SC[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000849891442 633754755 /nfs/dbraw/zinc/75/47/55/633754755.db2.gz HWIIDGRTJLTJRJ-BBBLOLIVSA-N -1 1 266.366 2.725 20 0 CFADMM Cc1cnc(SCOCCC(C)(C)C)[n-]c1=O ZINC000849903447 633759288 /nfs/dbraw/zinc/75/92/88/633759288.db2.gz TYEKSXJLUSMUKZ-UHFFFAOYSA-N -1 1 256.371 2.993 20 0 CFADMM CCc1nc(SCc2cccc(F)n2)[n-]c(=O)c1C ZINC000849922071 633765167 /nfs/dbraw/zinc/76/51/67/633765167.db2.gz WMXNZWZSQSOHST-UHFFFAOYSA-N -1 1 279.340 2.879 20 0 CFADMM CCc1nc(SCOC2CCC2)[n-]c(=O)c1C ZINC000849922154 633765342 /nfs/dbraw/zinc/76/53/42/633765342.db2.gz YWRXQFWXEKERBI-UHFFFAOYSA-N -1 1 254.355 2.672 20 0 CFADMM Cc1cnc(SCCC[N-]C(=O)C(F)(F)F)c(C)c1 ZINC000849988673 633784355 /nfs/dbraw/zinc/78/43/55/633784355.db2.gz DURQEHFVBXODNV-UHFFFAOYSA-N -1 1 292.326 2.859 20 0 CFADMM O=C([N-]C[C@@H](O)c1ccc2ccccc2c1)C(F)(F)F ZINC000109692562 634182957 /nfs/dbraw/zinc/18/29/57/634182957.db2.gz CRWDPJSQCFRYJN-GFCCVEGCSA-N -1 1 283.249 2.552 20 0 CFADMM CC(F)(F)C(=O)[N-]CC(F)(F)c1ccc(F)cc1 ZINC000853860110 635136850 /nfs/dbraw/zinc/13/68/50/635136850.db2.gz DKBFXBQOZCZWBS-UHFFFAOYSA-N -1 1 267.197 2.689 20 0 CFADMM COC(C)(C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676956 635284000 /nfs/dbraw/zinc/28/40/00/635284000.db2.gz XVEDJFDEMIWSPH-UHFFFAOYSA-N -1 1 261.680 2.548 20 0 CFADMM O=C(/C=C/[C@H]1CCOC1)Nc1cc(F)c([O-])cc1Cl ZINC000885678686 635298377 /nfs/dbraw/zinc/29/83/77/635298377.db2.gz UOMGFGOYPSELBT-CMLYIYFCSA-N -1 1 285.702 2.716 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(C2CC2)cnc1Cl ZINC000854635727 635352899 /nfs/dbraw/zinc/35/28/99/635352899.db2.gz WIWXZVVKGXDJHZ-UHFFFAOYSA-N -1 1 292.726 2.602 20 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CFADMM CC1CC(C[N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000856758147 635848560 /nfs/dbraw/zinc/84/85/60/635848560.db2.gz UCFPGMRPJTXHNB-UHFFFAOYSA-N -1 1 279.361 2.757 20 0 CFADMM CC(C)(C)c1cc(C(=O)[N-]c2ccnc(F)c2F)no1 ZINC000857698557 636012285 /nfs/dbraw/zinc/01/22/85/636012285.db2.gz VXFSRVAJWMKYQJ-UHFFFAOYSA-N -1 1 281.262 2.898 20 0 CFADMM O=c1nc(N2CCC[C@@H]2C2CCC2)cc(Cl)[n-]1 ZINC000858388439 636217710 /nfs/dbraw/zinc/21/77/10/636217710.db2.gz CRIUUPZJADEEAX-SECBINFHSA-N -1 1 253.733 2.605 20 0 CFADMM Cc1noc(C)c1[C@@H](C)CNc1cc(Cl)[n-]c(=O)n1 ZINC000858455694 636249102 /nfs/dbraw/zinc/24/91/02/636249102.db2.gz RYHNAZAEDINEFC-LURJTMIESA-N -1 1 282.731 2.656 20 0 CFADMM CC(C)(C)[C@@H]1C[C@@H](Nc2cc(Cl)[n-]c(=O)n2)CCO1 ZINC000858461988 636252660 /nfs/dbraw/zinc/25/26/60/636252660.db2.gz ZAZCCPJZVLXAPI-IUCAKERBSA-N -1 1 285.775 2.841 20 0 CFADMM C[C@@H]1CCN(c2cc(Cl)[n-]c(=O)n2)CC12CCC2 ZINC000858465792 636254401 /nfs/dbraw/zinc/25/44/01/636254401.db2.gz NHEXDFQJCBIBDG-SECBINFHSA-N -1 1 267.760 2.852 20 0 CFADMM CC1(C)C[C@H](Nc2cc(Cl)[n-]c(=O)n2)C(C)(C)O1 ZINC000858468938 636255317 /nfs/dbraw/zinc/25/53/17/636255317.db2.gz KMDPVGAMWYLNIB-ZETCQYMHSA-N -1 1 271.748 2.594 20 0 CFADMM O=c1nc(N2CCO[C@@H](C3CCCCC3)C2)cc(Cl)[n-]1 ZINC000858481399 636265805 /nfs/dbraw/zinc/26/58/05/636265805.db2.gz KFWAXHQCQJDFRO-LLVKDONJSA-N -1 1 297.786 2.621 20 0 CFADMM C[C@@H]1CN(c2cc(Cl)[n-]c(=O)n2)CC(C)(C)C1 ZINC000858480393 636265828 /nfs/dbraw/zinc/26/58/28/636265828.db2.gz SQGJEPMQXXYOFX-QMMMGPOBSA-N -1 1 255.749 2.708 20 0 CFADMM CN(C[C@@H]1CC=CCC1)c1cc(Cl)[n-]c(=O)n1 ZINC000858480270 636265841 /nfs/dbraw/zinc/26/58/41/636265841.db2.gz PEJHSNWWVJZFFK-SECBINFHSA-N -1 1 253.733 2.628 20 0 CFADMM C[C@H](CN(C)c1cc(Cl)[n-]c(=O)n1)c1nccs1 ZINC000858483134 636266503 /nfs/dbraw/zinc/26/65/03/636266503.db2.gz ZLNPSYAAOQPLPG-SSDOTTSWSA-N -1 1 284.772 2.532 20 0 CFADMM C[C@@H]1C[C@H](C)[C@@H](C)N(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858510746 636279178 /nfs/dbraw/zinc/27/91/78/636279178.db2.gz 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/nfs/dbraw/zinc/79/08/41/636790841.db2.gz CXQXZQUECWZUHP-MRVPVSSYSA-N -1 1 277.711 2.578 20 0 CFADMM CC(=O)CCCCCCNC(=O)c1cc(F)ccc1[O-] ZINC000862076646 637271461 /nfs/dbraw/zinc/27/14/61/637271461.db2.gz ZLPYZFWCBPKMHG-UHFFFAOYSA-N -1 1 281.327 2.801 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(Cl)o1 ZINC000188361461 650325360 /nfs/dbraw/zinc/32/53/60/650325360.db2.gz DKSXJEVOPXOVKD-UHFFFAOYSA-N -1 1 273.075 2.939 20 0 CFADMM Cc1ccc(CC(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000188372129 650325524 /nfs/dbraw/zinc/32/55/24/650325524.db2.gz NALAFRXLYSGJLV-UHFFFAOYSA-N -1 1 276.723 2.930 20 0 CFADMM COc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000188359536 650325562 /nfs/dbraw/zinc/32/55/62/650325562.db2.gz ULADTRBTRBLARA-UHFFFAOYSA-N -1 1 278.695 2.702 20 0 CFADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC000863004005 637535009 /nfs/dbraw/zinc/53/50/09/637535009.db2.gz XFPFLFVDHBPMGH-YDEXJTGXSA-N -1 1 283.755 2.587 20 0 CFADMM C[C@@]1(Br)C[C@@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000863008076 637535480 /nfs/dbraw/zinc/53/54/80/637535480.db2.gz GNPCLYXWCHFNSC-KSBSHMNSSA-N -1 1 288.116 2.643 20 0 CFADMM O=C(CC1(O)CCCCC1)Nc1cccc(F)c1[O-] ZINC000863009982 637536884 /nfs/dbraw/zinc/53/68/84/637536884.db2.gz LYHAITQKDBMFQC-UHFFFAOYSA-N -1 1 267.300 2.555 20 0 CFADMM CCc1cc(=O)[n-]c(SCC2(Br)CC2)n1 ZINC000863323284 637625985 /nfs/dbraw/zinc/62/59/85/637625985.db2.gz JQOYCYMEZOEZJA-UHFFFAOYSA-N -1 1 289.198 2.764 20 0 CFADMM CC(C)c1cnc(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)o1 ZINC000863476763 637672660 /nfs/dbraw/zinc/67/26/60/637672660.db2.gz NMIWUXINGBVRBC-QWRGUYRKSA-N -1 1 280.368 2.872 20 0 CFADMM CCCCC[C@@](C)(CC)C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000189084540 650360596 /nfs/dbraw/zinc/36/05/96/650360596.db2.gz KXNDJORQRWYQOQ-IUODEOHRSA-N -1 1 295.431 2.758 20 0 CFADMM Cc1cc2c(CC[N-]C(=O)C(F)(F)F)c[nH]c2cc1F ZINC000864493811 638002618 /nfs/dbraw/zinc/00/26/18/638002618.db2.gz KFIOFVBLHNJLBB-UHFFFAOYSA-N -1 1 288.244 2.836 20 0 CFADMM CCCc1ccc(CN[C@@H](COC(C)C)C(=O)[O-])s1 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254.261 2.849 20 0 CFADMM Cc1cc(-c2c(F)cc([O-])cc2F)nc2[nH]cnc21 ZINC001241120355 780648689 /nfs/dbraw/zinc/64/86/89/780648689.db2.gz QGQPYAXMEGOFQB-UHFFFAOYSA-N -1 1 261.231 2.917 20 0 CFADMM COC(=O)c1cc(C)c(-c2c(F)cc([O-])cc2F)cn1 ZINC001241120929 780650051 /nfs/dbraw/zinc/65/00/51/780650051.db2.gz SQOXAZITDGKQPQ-UHFFFAOYSA-N -1 1 279.242 2.827 20 0 CFADMM Cc1c2nc[nH]c2ncc1-c1c(F)cc([O-])cc1F ZINC001241120913 780650060 /nfs/dbraw/zinc/65/00/60/780650060.db2.gz RSFLHTPFYUBLGN-UHFFFAOYSA-N -1 1 261.231 2.917 20 0 CFADMM O=C1C[C@@H](c2cccc(-c3c(F)cc([O-])cc3F)c2)CN1 ZINC001241122044 780650641 /nfs/dbraw/zinc/65/06/41/780650641.db2.gz KACHFJPFOCQFSQ-LLVKDONJSA-N -1 1 289.281 2.941 20 0 CFADMM CN1CCc2c(cccc2-c2c(F)cc([O-])cc2F)C1=O ZINC001241121877 780651208 /nfs/dbraw/zinc/65/12/08/780651208.db2.gz QXIUNEMVDDGMGA-UHFFFAOYSA-N -1 1 289.281 2.966 20 0 CFADMM COC(=O)c1ccc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241122033 780651252 /nfs/dbraw/zinc/65/12/52/780651252.db2.gz JIWNVBPNJZINNL-UHFFFAOYSA-N 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2.689 20 0 CFADMM CC(=O)c1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc1F ZINC001241260517 780740811 /nfs/dbraw/zinc/74/08/11/780740811.db2.gz FNMHYMIENSRLGZ-UHFFFAOYSA-N -1 1 297.285 2.508 20 0 CFADMM O=C(NC1CC1)c1ccc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241289227 780758293 /nfs/dbraw/zinc/75/82/93/780758293.db2.gz NPZYRDXLXZSIPI-UHFFFAOYSA-N -1 1 290.269 2.625 20 0 CFADMM CCCNC(=O)c1ccc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241290333 780759213 /nfs/dbraw/zinc/75/92/13/780759213.db2.gz PWXZZWFJRLCREN-UHFFFAOYSA-N -1 1 292.285 2.872 20 0 CFADMM CC(C)Oc1nccnc1-c1c(F)ccc([O-])c1F ZINC001241289655 780760290 /nfs/dbraw/zinc/76/02/90/780760290.db2.gz BMCFIHNBKGDNBL-UHFFFAOYSA-N -1 1 266.247 2.915 20 0 CFADMM [O-]c1ccc(F)c(-c2nccc(-c3cnccn3)n2)c1F ZINC001241291793 780761016 /nfs/dbraw/zinc/76/10/16/780761016.db2.gz XGVDBXGSAROKRL-UHFFFAOYSA-N -1 1 286.241 2.584 20 0 CFADMM COc1nc(-c2c(F)ccc([O-])c2F)nc(C)c1F ZINC001241291139 780761530 /nfs/dbraw/zinc/76/15/30/780761530.db2.gz GBCFNKDFWOBPID-UHFFFAOYSA-N -1 1 270.210 2.584 20 0 CFADMM CCN(C)c1cc(C)nc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291410 780761818 /nfs/dbraw/zinc/76/18/18/780761818.db2.gz YWOWZAOPYBCVDH-UHFFFAOYSA-N -1 1 279.290 2.892 20 0 CFADMM CCOc1cc(-c2c(F)ccc([O-])c2F)nc(C)n1 ZINC001241291064 780761852 /nfs/dbraw/zinc/76/18/52/780761852.db2.gz ILNUZTKFNNPMAR-UHFFFAOYSA-N -1 1 266.247 2.835 20 0 CFADMM CCOc1cnc(-c2c(F)ccc([O-])c2F)cn1 ZINC001241294478 780765631 /nfs/dbraw/zinc/76/56/31/780765631.db2.gz YOWRFZSFTURFKV-UHFFFAOYSA-N -1 1 252.220 2.526 20 0 CFADMM COc1cccc(-c2cc(C(=O)[N-]c3nocc3C)on2)c1 ZINC001128732550 780779400 /nfs/dbraw/zinc/77/94/00/780779400.db2.gz XNDVODIIHHQLCF-UHFFFAOYSA-N -1 1 299.286 2.899 20 0 CFADMM CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701820778 780840548 /nfs/dbraw/zinc/84/05/48/780840548.db2.gz QAQGXNXVGYSYHX-GXTWGEPZSA-N -1 1 277.364 2.693 20 0 CFADMM O=C([O-])C[C@@H]1CCCCN1Cc1ccc(Cl)cn1 ZINC000703879115 781072453 /nfs/dbraw/zinc/07/24/53/781072453.db2.gz NMAQARSSCMEIMI-LBPRGKRZSA-N -1 1 268.744 2.564 20 0 CFADMM O=C([O-])c1cncc(-c2cc(N3CCCCC3)ccn2)c1 ZINC001241800408 781131665 /nfs/dbraw/zinc/13/16/65/781131665.db2.gz SPNVURLMCWAERP-UHFFFAOYSA-N -1 1 283.331 2.832 20 0 CFADMM O=C1Cc2cc(-c3ccc4c(c3)CCCN4)ccc2C(=O)[N-]1 ZINC001241839651 781151917 /nfs/dbraw/zinc/15/19/17/781151917.db2.gz STFLYWBMSNQVSX-UHFFFAOYSA-N -1 1 292.338 2.524 20 0 CFADMM Cc1cc2c(c(-c3ccc(C)c(F)c3F)n1)C(=O)[N-]C2=O ZINC001242028386 781242284 /nfs/dbraw/zinc/24/22/84/781242284.db2.gz ANZVOHDXMJWQEV-UHFFFAOYSA-N -1 1 288.253 2.527 20 0 CFADMM CN(C)c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nn1 ZINC001242148109 781301028 /nfs/dbraw/zinc/30/10/28/781301028.db2.gz NRUQCJPELRGWJP-UHFFFAOYSA-N -1 1 283.253 2.934 20 0 CFADMM Cn1cnc2ncc(-c3ccc([O-])c(C(F)(F)F)c3)nc21 ZINC001242167704 781310534 /nfs/dbraw/zinc/31/05/34/781310534.db2.gz BBQCNOOZBRLZCJ-UHFFFAOYSA-N -1 1 294.236 2.755 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H](c2nccs2)C1 ZINC000710493281 781334108 /nfs/dbraw/zinc/33/41/08/781334108.db2.gz NWDUTCLTJICDMX-SECBINFHSA-N -1 1 292.335 2.618 20 0 CFADMM O=C1Cc2cc(C3=CCC(F)(F)CC3)ccc2C(=O)[N-]1 ZINC001242236721 781339448 /nfs/dbraw/zinc/33/94/48/781339448.db2.gz PBXHTMNBTWCTDY-UHFFFAOYSA-N -1 1 277.270 2.702 20 0 CFADMM Cc1nc2cccc(-c3ccc(C(=O)[O-])nc3)c2[nH]1 ZINC001242336599 781407553 /nfs/dbraw/zinc/40/75/53/781407553.db2.gz VBEALBSVMRZRHW-UHFFFAOYSA-N -1 1 253.261 2.632 20 0 CFADMM CN(Cc1ccoc1)Cc1cc(C(=O)[O-])cs1 ZINC000711390973 781420458 /nfs/dbraw/zinc/42/04/58/781420458.db2.gz UMBJNKBHFTZWDJ-UHFFFAOYSA-N -1 1 251.307 2.671 20 0 CFADMM [O-]c1c(F)cccc1-c1cnc(OC2CCOCC2)nc1 ZINC001242353357 781426936 /nfs/dbraw/zinc/42/69/36/781426936.db2.gz MYCGZIWHWRRQMF-UHFFFAOYSA-N -1 1 290.294 2.546 20 0 CFADMM COC(=O)c1nc2[nH]ccc2cc1-c1cccc(F)c1[O-] ZINC001242354300 781428140 /nfs/dbraw/zinc/42/81/40/781428140.db2.gz XOLLRZQZLBGQQK-UHFFFAOYSA-N -1 1 286.262 2.813 20 0 CFADMM Cn1cnc2cc(-c3cccc(Cl)c3[O-])cnc21 ZINC001242365107 781437912 /nfs/dbraw/zinc/43/79/12/781437912.db2.gz WLVVFVSFZRDMJQ-UHFFFAOYSA-N -1 1 259.696 2.994 20 0 CFADMM O=C1NCCc2ccc(-c3cccc(Cl)c3[O-])cc21 ZINC001242364134 781438015 /nfs/dbraw/zinc/43/80/15/781438015.db2.gz DBXAMFVVJVRCJA-UHFFFAOYSA-N -1 1 273.719 2.999 20 0 CFADMM COC(=O)Cc1cc(-c2cccc(Cl)c2[O-])ccn1 ZINC001242365438 781438746 /nfs/dbraw/zinc/43/87/46/781438746.db2.gz CSLHMKNDYNJNGO-UHFFFAOYSA-N -1 1 277.707 2.823 20 0 CFADMM Cn1cc(-c2cccc(Cl)c2[O-])c2cc[nH]c2c1=O ZINC001242365685 781439329 /nfs/dbraw/zinc/43/93/29/781439329.db2.gz HYGKRVBYHPDEPD-UHFFFAOYSA-N -1 1 274.707 2.893 20 0 CFADMM Cc1nc(C(N)=O)ccc1-c1cccc(Cl)c1[O-] ZINC001242368206 781440237 /nfs/dbraw/zinc/44/02/37/781440237.db2.gz YKTDYUWRPFLUDR-UHFFFAOYSA-N -1 1 262.696 2.515 20 0 CFADMM CN(C)C(=O)c1ccc(-c2cccc(Cl)c2[O-])cn1 ZINC001242367707 781440820 /nfs/dbraw/zinc/44/08/20/781440820.db2.gz QKRXSRKTLGHRTF-UHFFFAOYSA-N -1 1 276.723 2.809 20 0 CFADMM COC(=O)c1nc2cc(-c3ccc(C)c(CO)c3)ccc2[n-]1 ZINC001242383755 781452494 /nfs/dbraw/zinc/45/24/94/781452494.db2.gz DWSLZPMLPGBXOC-UHFFFAOYSA-N -1 1 296.326 2.817 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccc(C)c(CO)c3)cc2[n-]1 ZINC001242383755 781452503 /nfs/dbraw/zinc/45/25/03/781452503.db2.gz DWSLZPMLPGBXOC-UHFFFAOYSA-N -1 1 296.326 2.817 20 0 CFADMM Cc1cc(Cl)cc(-c2nc(C)cc3c2C(=O)[N-]C3=O)c1 ZINC001242519278 781561057 /nfs/dbraw/zinc/56/10/57/781561057.db2.gz OBMFPGSQSXHHFU-UHFFFAOYSA-N -1 1 286.718 2.902 20 0 CFADMM CCOc1ccc(-c2cccc([O-])c2Cl)nn1 ZINC001242799093 781764375 /nfs/dbraw/zinc/76/43/75/781764375.db2.gz SXMAUDNIARDLSK-UHFFFAOYSA-N -1 1 250.685 2.901 20 0 CFADMM O=c1cc2[nH]cc(-c3cccc([O-])c3Cl)cc-2[nH]1 ZINC001242799753 781765236 /nfs/dbraw/zinc/76/52/36/781765236.db2.gz ANPXUZQTRGOKET-UHFFFAOYSA-N -1 1 260.680 2.602 20 0 CFADMM NC(=S)Nc1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242800001 781765462 /nfs/dbraw/zinc/76/54/62/781765462.db2.gz BIUPXEUGVRHYRE-UHFFFAOYSA-N -1 1 279.752 2.763 20 0 CFADMM Cn1ccc2nc(-c3cccc([O-])c3Cl)cnc21 ZINC001242799814 781765828 /nfs/dbraw/zinc/76/58/28/781765828.db2.gz DROUWQMBFDBYTI-UHFFFAOYSA-N -1 1 259.696 2.994 20 0 CFADMM CCOC(=O)c1nccc(-c2cccc([O-])c2Cl)n1 ZINC001242800108 781766114 /nfs/dbraw/zinc/76/61/14/781766114.db2.gz DUSQDFVMOOLFTG-UHFFFAOYSA-N -1 1 278.695 2.679 20 0 CFADMM NC(=O)C1(c2ccc(-c3cccc([O-])c3Cl)nc2)CC1 ZINC001242801809 781766822 /nfs/dbraw/zinc/76/68/22/781766822.db2.gz XLSMZPJFHQHLGL-UHFFFAOYSA-N -1 1 288.734 2.625 20 0 CFADMM COCCn1ccc(-c2cccc([O-])c2Cl)cc1=O ZINC001242802113 781766995 /nfs/dbraw/zinc/76/69/95/781766995.db2.gz RGDKSCMFEZVVAW-UHFFFAOYSA-N -1 1 279.723 2.521 20 0 CFADMM COC(=O)c1ccc(-c2cccc([O-])c2Cl)c(OC)n1 ZINC001242802427 781767044 /nfs/dbraw/zinc/76/70/44/781767044.db2.gz GRXSPOFQXJOEPS-UHFFFAOYSA-N -1 1 293.706 2.903 20 0 CFADMM O=c1c(-c2cccc([O-])c2Cl)ccnn1CC1CC1 ZINC001242801711 781767393 /nfs/dbraw/zinc/76/73/93/781767393.db2.gz DWITUOXRSOKIHZ-UHFFFAOYSA-N -1 1 276.723 2.679 20 0 CFADMM NC(=O)c1ccc(-c2cccc([O-])c2Cl)cc1F ZINC001242802769 781767770 /nfs/dbraw/zinc/76/77/70/781767770.db2.gz QCLSBQXIILOVKL-UHFFFAOYSA-N -1 1 265.671 2.951 20 0 CFADMM COC(=O)Cc1cc(-c2cccc([O-])c2Cl)ccn1 ZINC001242802425 781767835 /nfs/dbraw/zinc/76/78/35/781767835.db2.gz GOSOPQOWADMBPV-UHFFFAOYSA-N -1 1 277.707 2.823 20 0 CFADMM CSc1ccc(-c2ccc(-c3nnn[n-]3)nc2)c(F)c1 ZINC001242813955 781775364 /nfs/dbraw/zinc/77/53/64/781775364.db2.gz AOQNBJGLARJFMD-UHFFFAOYSA-N -1 1 287.323 2.790 20 0 CFADMM CSc1ccc(-c2ccc(-c3nn[n-]n3)nc2)c(F)c1 ZINC001242813955 781775371 /nfs/dbraw/zinc/77/53/71/781775371.db2.gz AOQNBJGLARJFMD-UHFFFAOYSA-N -1 1 287.323 2.790 20 0 CFADMM COC(=O)c1nc2ccc(-c3ccccc3C(=O)[O-])cc2[nH]1 ZINC001242879178 781818861 /nfs/dbraw/zinc/81/88/61/781818861.db2.gz XTLXFAVGMARXRA-UHFFFAOYSA-N -1 1 296.282 2.715 20 0 CFADMM COc1c(C(=O)[O-])cccc1-c1ccc2cncn2c1 ZINC001242922340 781843780 /nfs/dbraw/zinc/84/37/80/781843780.db2.gz ABQDTKJZEMXZQL-UHFFFAOYSA-N -1 1 268.272 2.708 20 0 CFADMM CC(C)[C@@H](C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC000820638195 781872305 /nfs/dbraw/zinc/87/23/05/781872305.db2.gz JWPCQEPUEDPJRO-SECBINFHSA-N -1 1 281.356 2.596 20 0 CFADMM CC(C)[C@H](C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC000820638196 781872523 /nfs/dbraw/zinc/87/25/23/781872523.db2.gz JWPCQEPUEDPJRO-VIFPVBQESA-N -1 1 281.356 2.596 20 0 CFADMM CSc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC001242976252 781895738 /nfs/dbraw/zinc/89/57/38/781895738.db2.gz LVKPRABUXJJHIZ-UHFFFAOYSA-N -1 1 287.323 2.790 20 0 CFADMM CSc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC001242976252 781895745 /nfs/dbraw/zinc/89/57/45/781895745.db2.gz LVKPRABUXJJHIZ-UHFFFAOYSA-N -1 1 287.323 2.790 20 0 CFADMM CC[C@H](C)C[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000822600438 781906966 /nfs/dbraw/zinc/90/69/66/781906966.db2.gz TXSMKUQAFCQHJY-UWVGGRQHSA-N -1 1 277.368 2.614 20 0 CFADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@H](C)C3CC3)no2)c1 ZINC000273821710 192321775 /nfs/dbraw/zinc/32/17/75/192321775.db2.gz AEXWWWTWDIOCOU-MRVPVSSYSA-N -1 1 287.319 2.914 20 0 CFADMM CCCOc1cccc(CC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000124701775 187149402 /nfs/dbraw/zinc/14/94/02/187149402.db2.gz BTIMXEKEORMZCA-MRXNPFEDSA-N -1 1 293.363 2.592 20 0 CFADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)c2ccco2)n1 ZINC000413008448 529566846 /nfs/dbraw/zinc/56/68/46/529566846.db2.gz XSTWZYMZIPKGTN-MRVPVSSYSA-N -1 1 278.333 2.701 20 0 CFADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)c2ccco2)n1 ZINC000413008449 529566959 /nfs/dbraw/zinc/56/69/59/529566959.db2.gz XSTWZYMZIPKGTN-QMMMGPOBSA-N -1 1 278.333 2.701 20 0 CFADMM CO[C@H]1CCCC[C@@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000294978842 199281980 /nfs/dbraw/zinc/28/19/80/199281980.db2.gz SDJIQHIRQQFCAK-WPRPVWTQSA-N -1 1 284.743 2.584 20 0 CFADMM COc1ccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c(O)c1 ZINC000443564321 539381289 /nfs/dbraw/zinc/38/12/89/539381289.db2.gz ZUHWNYPPRSWUOZ-TUAOUCFPSA-N -1 1 292.379 2.601 20 0 CFADMM COc1ccccc1C(=O)Nc1c([O-])cccc1F ZINC000089541228 539469493 /nfs/dbraw/zinc/46/94/93/539469493.db2.gz BLQAAZDZEZAPKG-UHFFFAOYSA-N -1 1 261.252 2.792 20 0 CFADMM Cc1nncn1-c1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000156769530 232234646 /nfs/dbraw/zinc/23/46/46/232234646.db2.gz ZGAABQWERFOCGY-UHFFFAOYSA-N -1 1 294.314 2.534 20 0 CFADMM C[C@H](Cn1cccn1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000031391352 346294045 /nfs/dbraw/zinc/29/40/45/346294045.db2.gz RBFGMIDOHOSQOJ-GFCCVEGCSA-N -1 1 295.342 2.560 20 0 CFADMM Cc1ccc(CN[C@]2(C(=O)[O-])CCC[C@H](C)C2)o1 ZINC000053043505 346536564 /nfs/dbraw/zinc/53/65/64/346536564.db2.gz XKJYYWPGDMTIGU-IINYFYTJSA-N -1 1 251.326 2.711 20 0 CFADMM C[C@]1(C(=O)[O-])CCN(Cc2cc(-c3cccs3)on2)C1 ZINC000062936436 346693910 /nfs/dbraw/zinc/69/39/10/346693910.db2.gz PDCCKVBAFOYALW-AWEZNQCLSA-N -1 1 292.360 2.700 20 0 CFADMM CC(C)c1nc(CN2CC[C@@](C)(C(=O)[O-])C2)cs1 ZINC000062935163 346694081 /nfs/dbraw/zinc/69/40/81/346694081.db2.gz DZFCASQWZDQPEQ-CYBMUJFWSA-N -1 1 268.382 2.563 20 0 CFADMM FC(F)(F)Cn1cc([N-]c2nc(C3CC3)ns2)cn1 ZINC000092655685 347637172 /nfs/dbraw/zinc/63/71/72/347637172.db2.gz YKJSYNISRNGJLG-UHFFFAOYSA-N -1 1 289.286 2.918 20 0 CFADMM Cc1nc(SCc2nn[n-]n2)n(C2CCCCC2)c1C ZINC000095209672 347697564 /nfs/dbraw/zinc/69/75/64/347697564.db2.gz MWPAIVCQEOEFAC-UHFFFAOYSA-N -1 1 292.412 2.811 20 0 CFADMM Cc1cccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)c1 ZINC000107393494 347734744 /nfs/dbraw/zinc/73/47/44/347734744.db2.gz KXWBLVTYIULBPV-UHFFFAOYSA-N -1 1 291.372 2.597 20 0 CFADMM Cc1ccc(C[C@H](C)N(C)C(=O)c2cncc([O-])c2)cc1 ZINC000132222093 347883280 /nfs/dbraw/zinc/88/32/80/347883280.db2.gz QNUJBCOEPZPRCK-ZDUSSCGKSA-N -1 1 284.359 2.799 20 0 CFADMM Cc1ccc(C[C@@H](C)N(C)C(=O)c2cncc([O-])c2)cc1 ZINC000132221905 347883458 /nfs/dbraw/zinc/88/34/58/347883458.db2.gz QNUJBCOEPZPRCK-CYBMUJFWSA-N -1 1 284.359 2.799 20 0 CFADMM C[C@H](CNC(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000132753854 347887242 /nfs/dbraw/zinc/88/72/42/347887242.db2.gz YVZTYBWTDKETCW-MRVPVSSYSA-N -1 1 253.729 2.822 20 0 CFADMM COc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])cc1Cl ZINC000086801854 179335745 /nfs/dbraw/zinc/33/57/45/179335745.db2.gz FIXKKUKYRMAZTK-LLVKDONJSA-N -1 1 283.755 2.788 20 0 CFADMM C[C@H](c1cccc2ccccc21)N1CCO[C@H](C(=O)[O-])C1 ZINC000086805971 179337943 /nfs/dbraw/zinc/33/79/43/179337943.db2.gz DPLRRLWUEGLQLP-WBMJQRKESA-N -1 1 285.343 2.686 20 0 CFADMM CC[C@@H](CSC)[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000167731001 348046295 /nfs/dbraw/zinc/04/62/95/348046295.db2.gz NRVDURKZSSNYGO-JTQLQIEISA-N -1 1 271.382 2.860 20 0 CFADMM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000172665649 348100757 /nfs/dbraw/zinc/10/07/57/348100757.db2.gz JOWVYDOZBMOSJA-VIFPVBQESA-N -1 1 277.336 2.535 20 0 CFADMM C[C@H](c1ccncc1)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000124655275 539601766 /nfs/dbraw/zinc/60/17/66/539601766.db2.gz PHFTYZXMBVKIIP-GFCCVEGCSA-N -1 1 282.343 2.899 20 0 CFADMM Cc1ccccc1[C@@H](C)C(=O)[N-]OCC(F)(F)F ZINC000934903815 649849574 /nfs/dbraw/zinc/84/95/74/649849574.db2.gz XTELDNBOARMKQT-SECBINFHSA-N -1 1 261.243 2.709 20 0 CFADMM O=C(Nc1ncc(Cl)s1)c1cc(F)ccc1[O-] ZINC000080031206 539752042 /nfs/dbraw/zinc/75/20/42/539752042.db2.gz ADEIFQICKCVKQS-UHFFFAOYSA-N -1 1 272.688 2.894 20 0 CFADMM CC(C)[C@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[O-])CCO1 ZINC000271341066 191084221 /nfs/dbraw/zinc/08/42/21/191084221.db2.gz CDVNOFDETGMSKB-BXUZGUMPSA-N -1 1 297.782 2.979 20 0 CFADMM CCCC(=CC(=O)N[C@H](CCC)c1nn[n-]n1)CCC ZINC000092498059 180397722 /nfs/dbraw/zinc/39/77/22/180397722.db2.gz ANZWACFQLAECMU-GFCCVEGCSA-N -1 1 279.388 2.684 20 0 CFADMM CCCC(=CC(=O)N[C@@H](CCC)c1nn[n-]n1)CCC ZINC000092498058 180397810 /nfs/dbraw/zinc/39/78/10/180397810.db2.gz ANZWACFQLAECMU-LBPRGKRZSA-N -1 1 279.388 2.684 20 0 CFADMM O=C(Nc1cccc(OC(F)(F)F)c1)c1cncc([O-])c1 ZINC000109040657 186241098 /nfs/dbraw/zinc/24/10/98/186241098.db2.gz ZEIUSNQSNHHXKS-UHFFFAOYSA-N -1 1 298.220 2.938 20 0 CFADMM CC(=O)Nc1c(C)ccc(NC(=O)c2cncc([O-])c2)c1C ZINC000600963135 350638952 /nfs/dbraw/zinc/63/89/52/350638952.db2.gz LVBBYHCHNVMCMW-UHFFFAOYSA-N -1 1 299.330 2.615 20 0 CFADMM CCCOc1cccc(C(=O)Nc2ccncc2[O-])c1 ZINC000109891138 186278507 /nfs/dbraw/zinc/27/85/07/186278507.db2.gz RAWRQYIANRHMOE-UHFFFAOYSA-N -1 1 272.304 2.828 20 0 CFADMM O=C(NCCCSc1ccccc1)c1cncc([O-])c1 ZINC000109943096 186279529 /nfs/dbraw/zinc/27/95/29/186279529.db2.gz PLKVHBIICKTAPE-UHFFFAOYSA-N -1 1 288.372 2.699 20 0 CFADMM CSCCCCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601201606 350695578 /nfs/dbraw/zinc/69/55/78/350695578.db2.gz RDFAMVRMTJJBIX-UHFFFAOYSA-N -1 1 287.812 2.848 20 0 CFADMM CC[C@H](CSC)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601411055 350730920 /nfs/dbraw/zinc/73/09/20/350730920.db2.gz MREVTIFVJQUDLR-SNVBAGLBSA-N -1 1 287.812 2.846 20 0 CFADMM COC(=O)c1cc(-n2[n-]c(C)c(C3CC3)c2=O)ccc1C ZINC000601949843 350815978 /nfs/dbraw/zinc/81/59/78/350815978.db2.gz KIORWJMOBVOXCV-AWEZNQCLSA-N -1 1 286.331 2.530 20 0 CFADMM CS[C@@H]1CCN(C(=O)N=c2[n-]sc3ccccc32)C1 ZINC000603050140 351095108 /nfs/dbraw/zinc/09/51/08/351095108.db2.gz FKGGECYGYLGYHX-SECBINFHSA-N -1 1 293.417 2.687 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1cccc2c1OCCO2 ZINC000605437541 351246571 /nfs/dbraw/zinc/24/65/71/351246571.db2.gz OXAYHQYKFCIPTK-UHFFFAOYSA-N -1 1 289.262 2.555 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1cnc2ccccc2n1 ZINC000605437762 351246834 /nfs/dbraw/zinc/24/68/34/351246834.db2.gz AOUHUNBOGUFVLM-UHFFFAOYSA-N -1 1 283.262 2.727 20 0 CFADMM CCCC[C@@H](CC)CC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000605530112 351252402 /nfs/dbraw/zinc/25/24/02/351252402.db2.gz IKDNMDKSBFOQRB-GFCCVEGCSA-N -1 1 293.415 2.692 20 0 CFADMM Cc1cccn2cc(CC(=O)Nc3c([O-])cccc3F)nc12 ZINC000608367460 351427157 /nfs/dbraw/zinc/42/71/57/351427157.db2.gz ZQEWWMGNEJLSPL-UHFFFAOYSA-N -1 1 299.305 2.669 20 0 CFADMM O=C(c1ncc2ccccc2c1[O-])N1C[C@@H]2CCC[C@H]2C1 ZINC000612263509 351793750 /nfs/dbraw/zinc/79/37/50/351793750.db2.gz PLHSSFCPDCVJIM-STQMWFEESA-N -1 1 282.343 2.813 20 0 CFADMM CO[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)C1CCC1 ZINC000612759936 351859847 /nfs/dbraw/zinc/85/98/47/351859847.db2.gz PMAMXHOPZRQXSY-LBPRGKRZSA-N -1 1 269.728 2.799 20 0 CFADMM CON1CCC(CC(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000612758987 351859877 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Cc1[n-][nH]c(=O)c1NC(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000615229031 352170445 /nfs/dbraw/zinc/17/04/45/352170445.db2.gz NMSKKIRQULZPDL-UFBFGSQYSA-N -1 1 285.294 2.578 20 0 CFADMM CC[C@@H](C)Oc1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC000615227991 352170480 /nfs/dbraw/zinc/17/04/80/352170480.db2.gz URIGXVDJXJPJCI-SECBINFHSA-N -1 1 289.335 2.853 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]1c1cn[nH]c1 ZINC000615901415 352260368 /nfs/dbraw/zinc/26/03/68/352260368.db2.gz ACYWLDSHIQUVMU-GFCCVEGCSA-N -1 1 291.738 2.746 20 0 CFADMM O=C(NCC1CSC1)c1cc2ccccc2cc1[O-] ZINC000616063890 352280733 /nfs/dbraw/zinc/28/07/33/352280733.db2.gz OKZOKSNOYHURSQ-UHFFFAOYSA-N -1 1 273.357 2.638 20 0 CFADMM O=C(NCC1CSC1)c1ccc2ccccc2c1[O-] ZINC000616063769 352280800 /nfs/dbraw/zinc/28/08/00/352280800.db2.gz MJLNZTSHMZQSOA-UHFFFAOYSA-N -1 1 273.357 2.638 20 0 CFADMM C[C@H]1CCC(C)(C)N1C(=O)c1ccc([O-])c(F)c1 ZINC000616164525 352293491 /nfs/dbraw/zinc/29/34/91/352293491.db2.gz DUZALDIRAUYRKQ-VIFPVBQESA-N -1 1 251.301 2.934 20 0 CFADMM C[C@H](CNC(=O)c1ncc2ccccc2c1[O-])CC(F)F ZINC000616458873 352352996 /nfs/dbraw/zinc/35/29/96/352352996.db2.gz OKCUKVKNWZZGRM-VIFPVBQESA-N -1 1 294.301 2.962 20 0 CFADMM COc1cc(C(=O)NC2CC=CC2)cc(Cl)c1[O-] ZINC000135177518 539851850 /nfs/dbraw/zinc/85/18/50/539851850.db2.gz CPBYUYVNBVIWMQ-UHFFFAOYSA-N -1 1 267.712 2.503 20 0 CFADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000616332877 352329328 /nfs/dbraw/zinc/32/93/28/352329328.db2.gz LGNUSIOAXRYGCA-HBNTYKKESA-N -1 1 287.388 2.935 20 0 CFADMM CN(C(=O)c1ncc2ccccc2c1[O-])C(C)(C)C ZINC000616489932 352358500 /nfs/dbraw/zinc/35/85/00/352358500.db2.gz GZPHLPLIEWFZTM-UHFFFAOYSA-N -1 1 258.321 2.811 20 0 CFADMM CCc1nc(C(=O)[N-]c2nnc(CCC(C)C)s2)co1 ZINC000617095648 352496101 /nfs/dbraw/zinc/49/61/01/352496101.db2.gz YHPFGCUBABSVAX-UHFFFAOYSA-N -1 1 294.380 2.929 20 0 CFADMM O=C(N[C@@]12C[C@@H]1CCC2)c1ccc(Br)cc1[O-] ZINC000617211907 352516403 /nfs/dbraw/zinc/51/64/03/352516403.db2.gz RCCHCCFFIAORMG-SDBXPKJASA-N 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/nfs/dbraw/zinc/83/17/57/352831757.db2.gz JQDWLWIXYKJJRV-LLVKDONJSA-N -1 1 275.682 2.821 20 0 CFADMM O=C(NCCCC1CCC1)c1ccc([O-])cc1F ZINC000618614960 352837381 /nfs/dbraw/zinc/83/73/81/352837381.db2.gz UDJVNMKVUWSTJL-UHFFFAOYSA-N -1 1 251.301 2.841 20 0 CFADMM C[C@]1(CCNC(=O)c2ccc([O-])c(F)c2)CC1(F)F ZINC000618632841 352846212 /nfs/dbraw/zinc/84/62/12/352846212.db2.gz AFRSRNHBJDWNGF-LBPRGKRZSA-N -1 1 273.254 2.697 20 0 CFADMM O=C(NC[C@H](CO)CC1CC1)c1ccc2ccccc2c1[O-] ZINC000619049494 352942924 /nfs/dbraw/zinc/94/29/24/352942924.db2.gz ZGZKQGWKMAPATG-CYBMUJFWSA-N -1 1 299.370 2.684 20 0 CFADMM O=C(N[C@H]1C[C@H](O)C12CCC2)c1ccc2ccccc2c1[O-] ZINC000619089955 352950575 /nfs/dbraw/zinc/95/05/75/352950575.db2.gz OVBOLJYETLBPPV-GJZGRUSLSA-N -1 1 297.354 2.579 20 0 CFADMM CC[C@@H]1CC[C@@H](C)N(C(=O)c2ncc(C)cc2[O-])C1 ZINC000619133497 352964016 /nfs/dbraw/zinc/96/40/16/352964016.db2.gz NLSJKXZKCZULAP-VXGBXAGGSA-N -1 1 262.353 2.746 20 0 CFADMM CCOc1cc(C(=O)N2CC[C@H]3C[C@H]3C2)cc(Cl)c1[O-] ZINC000619344636 352997492 /nfs/dbraw/zinc/99/74/92/352997492.db2.gz NMEDMNURIFRPLY-ONGXEEELSA-N -1 1 295.766 2.926 20 0 CFADMM CCN(C(=O)c1ccc(OC)cc1[O-])c1nc(C)cs1 ZINC000152962537 188056017 /nfs/dbraw/zinc/05/60/17/188056017.db2.gz GLVPGDQOWBXSGB-UHFFFAOYSA-N -1 1 292.360 2.832 20 0 CFADMM O=C(c1ncccc1[O-])N1CCC[C@@H]1c1cccs1 ZINC000153487081 188085223 /nfs/dbraw/zinc/08/52/23/188085223.db2.gz FMFOBCWOXBHCKK-SNVBAGLBSA-N -1 1 274.345 2.826 20 0 CFADMM O=c1cc(C(F)F)nc(SCC2CCC(O)CC2)[n-]1 ZINC000292346759 198253068 /nfs/dbraw/zinc/25/30/68/198253068.db2.gz DTWNCZXPZVXPCC-UHFFFAOYSA-N -1 1 290.335 2.763 20 0 CFADMM COc1ccc([C@@H](C)N(C)C(=O)c2ncccc2[O-])cc1 ZINC000153532610 188087471 /nfs/dbraw/zinc/08/74/71/188087471.db2.gz KILMERHNCXGRCC-LLVKDONJSA-N -1 1 286.331 2.629 20 0 CFADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([O-])cc1F ZINC000620430499 353168828 /nfs/dbraw/zinc/16/88/28/353168828.db2.gz DISAOINRDTVRCF-FGWVZKOKSA-N -1 1 263.312 2.934 20 0 CFADMM 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ZINC000294947429 199265218 /nfs/dbraw/zinc/26/52/18/199265218.db2.gz ANNGBGJPYUOKOY-UHFFFAOYSA-N -1 1 299.783 2.789 20 0 CFADMM O=C(NCCCC1(O)CCC1)c1cc2ccccc2cc1[O-] ZINC000421986679 237027676 /nfs/dbraw/zinc/02/76/76/237027676.db2.gz WLFLWGRDQUEBMO-UHFFFAOYSA-N -1 1 299.370 2.970 20 0 CFADMM O=C(NCCCC1(O)CCC1)c1ccc2ccccc2c1[O-] ZINC000421985501 237027879 /nfs/dbraw/zinc/02/78/79/237027879.db2.gz ULXVADYTXINJQP-UHFFFAOYSA-N -1 1 299.370 2.970 20 0 CFADMM Cc1ccc(-c2nc(CN(C)C[C@@H](C)C(=O)[O-])co2)cc1 ZINC000042706761 540543653 /nfs/dbraw/zinc/54/36/53/540543653.db2.gz NKSNGOWWWIDVKV-GFCCVEGCSA-N -1 1 288.347 2.803 20 0 CFADMM C[C@@H](C(=O)[N-]OC(C)(C)CO)c1ccc2ccccc2c1 ZINC000297167273 200103447 /nfs/dbraw/zinc/10/34/47/200103447.db2.gz KFUNNLJQYCZIJH-GFCCVEGCSA-N -1 1 287.359 2.762 20 0 CFADMM CC1(F)CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000670247044 540832767 /nfs/dbraw/zinc/83/27/67/540832767.db2.gz CBPUGHDSMFLZTF-UHFFFAOYSA-N -1 1 294.713 2.778 20 0 CFADMM C[C@H](C1CC1)n1nccc1NC(=O)c1cc(F)ccc1[O-] ZINC000179521380 189199712 /nfs/dbraw/zinc/19/97/12/189199712.db2.gz DORGSUKHWCAMCP-SECBINFHSA-N -1 1 289.310 2.951 20 0 CFADMM CC1(C)COCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000670389574 540964069 /nfs/dbraw/zinc/96/40/69/540964069.db2.gz CQWKIBPDKWATFG-UHFFFAOYSA-N -1 1 271.316 2.754 20 0 CFADMM C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc([O-])cc1F ZINC000181141127 189289437 /nfs/dbraw/zinc/28/94/37/189289437.db2.gz WOLLZQGRJCTITR-XHDPSFHLSA-N -1 1 295.354 2.856 20 0 CFADMM C[C@@H]1CCC[C@@H](C)N1Cc1nc(C(=O)[O-])cs1 ZINC000031945133 541051610 /nfs/dbraw/zinc/05/16/10/541051610.db2.gz OKCFMBVJGZTDTL-RKDXNWHRSA-N -1 1 254.355 2.604 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnn2c1CCCC2 ZINC000182878045 189337969 /nfs/dbraw/zinc/33/79/69/189337969.db2.gz QVPJADIVQPEECK-UHFFFAOYSA-N -1 1 291.738 2.831 20 0 CFADMM O=C(NCC1(CCO)CCCCC1)c1c([O-])cccc1F ZINC000184333822 189383690 /nfs/dbraw/zinc/38/36/90/189383690.db2.gz HBPDFFLCHBOIER-UHFFFAOYSA-N -1 1 295.354 2.594 20 0 CFADMM Cc1cnc(C(=O)NC2(Cc3ccccc3)CC2)c([O-])c1 ZINC000427826723 239339614 /nfs/dbraw/zinc/33/96/14/239339614.db2.gz LSVVECLLZPCFTL-UHFFFAOYSA-N -1 1 282.343 2.601 20 0 CFADMM COC(=O)c1c[n-]c(SCc2c(F)cccc2F)n1 ZINC000432665269 240027725 /nfs/dbraw/zinc/02/77/25/240027725.db2.gz HNZYROWPHBFVMB-UHFFFAOYSA-N -1 1 284.287 2.767 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCCCc2sccc21 ZINC000671845094 541407947 /nfs/dbraw/zinc/40/79/47/541407947.db2.gz VDWVQAVQTNGREG-UHFFFAOYSA-N -1 1 274.345 2.832 20 0 CFADMM CC(C)Cc1nc(=NC[C@@H]2CCCCN2C2CC2)s[n-]1 ZINC000433818427 240178680 /nfs/dbraw/zinc/17/86/80/240178680.db2.gz LRJGWEBOOMNLDS-ZDUSSCGKSA-N -1 1 294.468 2.587 20 0 CFADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])C1CCC1 ZINC000160222823 541409489 /nfs/dbraw/zinc/40/94/89/541409489.db2.gz OQQPQUWDKCNREU-QMMMGPOBSA-N -1 1 253.729 2.964 20 0 CFADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1c(F)cncc1F ZINC000672336429 541430382 /nfs/dbraw/zinc/43/03/82/541430382.db2.gz GBWYDWPMOOHCJC-ZETCQYMHSA-N -1 1 296.248 2.696 20 0 CFADMM CO[C@@H](C)CN(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000672337394 541430917 /nfs/dbraw/zinc/43/09/17/541430917.db2.gz LWNDWPLMIQPEHG-QMMMGPOBSA-N -1 1 291.269 2.518 20 0 CFADMM C[C@@H](SCc1nn[n-]n1)c1ccc(Cl)cc1 ZINC000435228811 240294309 /nfs/dbraw/zinc/29/43/09/240294309.db2.gz CKAHBMHZFYVAMH-SSDOTTSWSA-N -1 1 254.746 2.848 20 0 CFADMM CCN(Cc1cccs1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436769699 240498881 /nfs/dbraw/zinc/49/88/81/240498881.db2.gz KLOQTTQOMGTTMP-UHFFFAOYSA-N -1 1 289.356 2.685 20 0 CFADMM CCc1cc(=O)[nH]c(CN2CCC[C@H](C(C)C)C2)n1 ZINC000444748712 241182145 /nfs/dbraw/zinc/18/21/45/241182145.db2.gz RJYLRFYPRPQQHZ-LBPRGKRZSA-N -1 1 263.385 2.613 20 0 CFADMM CC(C)(C)[C@H](CO)NC(=O)c1cc2ccccc2cc1[O-] ZINC000444761770 241187812 /nfs/dbraw/zinc/18/78/12/241187812.db2.gz OODQZDAOUJEYGS-HNNXBMFYSA-N -1 1 287.359 2.682 20 0 CFADMM C[C@H](C(=O)Nc1ccc(F)cc1[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444240117 241129151 /nfs/dbraw/zinc/12/91/51/241129151.db2.gz CEIOYFLOMKFNEZ-OUAUKWLOSA-N -1 1 280.343 2.731 20 0 CFADMM Cc1cccnc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445482301 241218484 /nfs/dbraw/zinc/21/84/84/241218484.db2.gz SEWDQIMMQPKXIN-UHFFFAOYSA-N -1 1 271.251 2.952 20 0 CFADMM [O-]c1ccc(-c2noc(CCn3cccn3)n2)c(Cl)c1 ZINC000445448390 241218716 /nfs/dbraw/zinc/21/87/16/241218716.db2.gz VYNQTXFGSOSLDF-UHFFFAOYSA-N -1 1 290.710 2.535 20 0 CFADMM O=C(Nc1ccncc1[O-])c1ccc(OC2CCCC2)cc1 ZINC000673916450 541523500 /nfs/dbraw/zinc/52/35/00/541523500.db2.gz CTKICICYYUBCIZ-UHFFFAOYSA-N -1 1 298.342 2.783 20 0 CFADMM Cc1c2cccc(F)c2oc1C(=O)Nc1ccncc1[O-] ZINC000673934589 541525593 /nfs/dbraw/zinc/52/55/93/541525593.db2.gz LAKRRYYKVGQQKN-UHFFFAOYSA-N -1 1 286.262 2.655 20 0 CFADMM CCC[C@@H](OC)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000449803846 242173314 /nfs/dbraw/zinc/17/33/14/242173314.db2.gz PMJQDLYERQJKMZ-CYBMUJFWSA-N -1 1 289.335 2.536 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CC(CC(F)(F)F)C1 ZINC000675415542 541651934 /nfs/dbraw/zinc/65/19/34/541651934.db2.gz ROBHYDCCLREGLT-UHFFFAOYSA-N -1 1 277.217 2.556 20 0 CFADMM CCC(CC)(CC)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000675444967 541656141 /nfs/dbraw/zinc/65/61/41/541656141.db2.gz ULFMZAFSDFCEHN-UHFFFAOYSA-N -1 1 278.278 2.978 20 0 CFADMM Cc1csc(CSc2nc(C)c(C)c(=O)[n-]2)n1 ZINC000330685457 203116535 /nfs/dbraw/zinc/11/65/35/203116535.db2.gz UMSCFBLJWCRYRW-UHFFFAOYSA-N -1 1 267.379 2.856 20 0 CFADMM CCn1ccnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000456384728 244165742 /nfs/dbraw/zinc/16/57/42/244165742.db2.gz LROKSVFJEBMPNW-SECBINFHSA-N -1 1 293.754 2.753 20 0 CFADMM O=C(c1ncccc1[O-])N1Cc2ccccc2C(F)(F)C1 ZINC000676394837 541749883 /nfs/dbraw/zinc/74/98/83/541749883.db2.gz HLKMVZQODHATEK-UHFFFAOYSA-N -1 1 290.269 2.535 20 0 CFADMM CC(C)c1nnc(C(=O)Nc2ccc([O-])c(F)c2F)s1 ZINC000456762948 244281243 /nfs/dbraw/zinc/28/12/43/244281243.db2.gz AZASILVHSFLOGS-UHFFFAOYSA-N -1 1 299.302 2.898 20 0 CFADMM CSC[C@@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456795066 244289936 /nfs/dbraw/zinc/28/99/36/244289936.db2.gz RWLVYDUKOJYQFE-ZCFIWIBFSA-N -1 1 261.293 2.608 20 0 CFADMM Cc1ccc2[nH]c3c(c2c1)CN(CCCC(=O)[O-])CC3 ZINC000676704367 541778747 /nfs/dbraw/zinc/77/87/47/541778747.db2.gz PTDNFXGKFFBRTA-UHFFFAOYSA-N -1 1 272.348 2.699 20 0 CFADMM C[C@@H](C(=O)Nc1ccc(F)c(F)c1[O-])N1[C@H](C)CC[C@H]1C ZINC000457304117 244473629 /nfs/dbraw/zinc/47/36/29/244473629.db2.gz YFIMWANQNGVNDE-BBBLOLIVSA-N -1 1 298.333 2.870 20 0 CFADMM CCc1ccc(C(=O)Nc2c(C)c(C)nn2C)c([O-])c1 ZINC000276325812 193288991 /nfs/dbraw/zinc/28/89/91/193288991.db2.gz HSTLKZXSCSYSHU-UHFFFAOYSA-N -1 1 273.336 2.557 20 0 CFADMM C[C@@H](C(=O)Nc1c([O-])cccc1F)C1CCOCC1 ZINC000677405250 541853902 /nfs/dbraw/zinc/85/39/02/541853902.db2.gz VVQRTFWUMWPXJH-SECBINFHSA-N -1 1 267.300 2.533 20 0 CFADMM CC(C)(C)NC(=O)c1cc(Br)ccc1[O-] ZINC000012019867 371941741 /nfs/dbraw/zinc/94/17/41/371941741.db2.gz AHGCSBKLSJLGDX-UHFFFAOYSA-N -1 1 272.142 2.683 20 0 CFADMM COc1ccc(NC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000016598005 372111547 /nfs/dbraw/zinc/11/15/47/372111547.db2.gz SNHFTXPCXHBDTA-UHFFFAOYSA-N -1 1 273.288 2.662 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@@H]1c1cc[nH]n1 ZINC000285939129 296181122 /nfs/dbraw/zinc/18/11/22/296181122.db2.gz HSODEOSOOLAKPK-CYBMUJFWSA-N -1 1 289.310 2.622 20 0 CFADMM NC(=O)c1cc(-c2csc(-c3ccncc3)n2)ccc1[O-] ZINC000023623241 372263291 /nfs/dbraw/zinc/26/32/91/372263291.db2.gz OJJZJEMEJOSRBM-UHFFFAOYSA-N -1 1 297.339 2.677 20 0 CFADMM Cc1cc(C)cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000029388746 372379500 /nfs/dbraw/zinc/37/95/00/372379500.db2.gz SQSHQIISYXBYLC-UHFFFAOYSA-N -1 1 284.241 2.693 20 0 CFADMM CC(C)N(CC(=O)[O-])Cc1ccc2ccccc2n1 ZINC000037994769 372753704 /nfs/dbraw/zinc/75/37/04/372753704.db2.gz NHOBWLFSJUWEKG-UHFFFAOYSA-N -1 1 258.321 2.530 20 0 CFADMM C[C@H]([N-]S(=O)(=O)CC1CCCCC1)C(C)(F)F ZINC000451690593 383684698 /nfs/dbraw/zinc/68/46/98/383684698.db2.gz OXSZFNOKGGGSOB-VIFPVBQESA-N -1 1 269.357 2.530 20 0 CFADMM CC(C)C[C@H](CO)NC(=O)c1ccc2ccccc2c1[O-] ZINC000040791664 372791241 /nfs/dbraw/zinc/79/12/41/372791241.db2.gz QVLOOENZAZTWDL-CYBMUJFWSA-N -1 1 287.359 2.682 20 0 CFADMM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000333170311 205087911 /nfs/dbraw/zinc/08/79/11/205087911.db2.gz PPEUMHPXSGLUPN-WDEREUQCSA-N -1 1 288.438 2.617 20 0 CFADMM O=C(NC1CCC2(CC2)CC1)c1csc(=NC2CC2)[n-]1 ZINC000333156650 205076517 /nfs/dbraw/zinc/07/65/17/205076517.db2.gz MQWIDKJOEJDYDR-UHFFFAOYSA-N -1 1 291.420 2.592 20 0 CFADMM CCn1cc(N(CC(C)C)C(=O)c2ccccc2[O-])cn1 ZINC000636005385 383685998 /nfs/dbraw/zinc/68/59/98/383685998.db2.gz VALDNSDQUMESEM-UHFFFAOYSA-N -1 1 287.363 2.911 20 0 CFADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCC[C@H](C)C2)sc1C ZINC000333268542 205168485 /nfs/dbraw/zinc/16/84/85/205168485.db2.gz NDZLZGTWMDASEI-KWQFWETISA-N -1 1 288.438 2.617 20 0 CFADMM O=C([O-])C[C@@H]1CCCN1Cc1cc(-c2cccs2)on1 ZINC000042163831 372880701 /nfs/dbraw/zinc/88/07/01/372880701.db2.gz XDOWVIZRDLVYNM-NSHDSACASA-N -1 1 292.360 2.842 20 0 CFADMM CN(CCCC(=O)[O-])Cc1coc(-c2ccccc2)n1 ZINC000042717776 372950373 /nfs/dbraw/zinc/95/03/73/372950373.db2.gz CBDZXCTVICBYLR-UHFFFAOYSA-N -1 1 274.320 2.638 20 0 CFADMM CCOC(=O)c1nc(C)[nH]c1NC(=O)CC[C@@H](C)CC ZINC000571360237 383688254 /nfs/dbraw/zinc/68/82/54/383688254.db2.gz SIVTZPQSNQSONC-VIFPVBQESA-N -1 1 281.356 2.660 20 0 CFADMM COc1ccc([O-])c(C(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000051770478 373411173 /nfs/dbraw/zinc/41/11/73/373411173.db2.gz HYGKVOUJYYVBTK-UHFFFAOYSA-N -1 1 285.299 2.856 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000529421789 383690980 /nfs/dbraw/zinc/69/09/80/383690980.db2.gz QBVBZNCMUZZSAK-VXGBXAGGSA-N -1 1 289.310 2.695 20 0 CFADMM O=C([O-])C[C@H]1CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000054300488 373514276 /nfs/dbraw/zinc/51/42/76/373514276.db2.gz BZGPUHMBVSYZOD-LLVKDONJSA-N -1 1 290.319 2.621 20 0 CFADMM CC(C)(C)c1nc(CN2CC[C@](C)(C(=O)[O-])C2)cs1 ZINC000062935850 373773884 /nfs/dbraw/zinc/77/38/84/373773884.db2.gz NKSRDPLVCCAMKF-AWEZNQCLSA-N -1 1 282.409 2.737 20 0 CFADMM O=C(c1ncccc1[O-])N1CCC2(CCCC2)CC1 ZINC000062959688 373776497 /nfs/dbraw/zinc/77/64/97/373776497.db2.gz NROMEVWDDQLWRT-UHFFFAOYSA-N -1 1 260.337 2.584 20 0 CFADMM CCC1(CC)CCN(C(=O)c2ncccc2[O-])CC1 ZINC000062959671 373776576 /nfs/dbraw/zinc/77/65/76/373776576.db2.gz RWQIMSAGNYVLHN-UHFFFAOYSA-N -1 1 262.353 2.830 20 0 CFADMM CC1(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)CCCC1 ZINC000289534056 197393037 /nfs/dbraw/zinc/39/30/37/197393037.db2.gz GTVYPIXCGQQODG-UHFFFAOYSA-N -1 1 276.262 2.732 20 0 CFADMM CC(C)[C@H]1C[C@H](NC(=O)c2c(F)ccc([O-])c2F)CCO1 ZINC000289507090 197382475 /nfs/dbraw/zinc/38/24/75/197382475.db2.gz UGZCKGVEXYKUNE-BXKDBHETSA-N -1 1 299.317 2.604 20 0 CFADMM Cc1ccc2nc(-c3ccc(O)cc3)[n-]c(=O)c2c1 ZINC000071963470 374232039 /nfs/dbraw/zinc/23/20/39/374232039.db2.gz IBDRLCUVNGUPQE-UHFFFAOYSA-N -1 1 252.273 2.604 20 0 CFADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccnc1C ZINC000072913513 374302181 /nfs/dbraw/zinc/30/21/81/374302181.db2.gz FJVMLZDIODGDJD-UHFFFAOYSA-N -1 1 280.324 2.638 20 0 CFADMM CC(C)C[C@H]1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000072929791 374302957 /nfs/dbraw/zinc/30/29/57/374302957.db2.gz MFYNJEKJPLXYLA-GFCCVEGCSA-N -1 1 299.374 2.844 20 0 CFADMM O=C(N[C@H]1CCSC1)c1cc2ccccc2cc1[O-] ZINC000075179833 374466829 /nfs/dbraw/zinc/46/68/29/374466829.db2.gz RYFJVZBODVNPGV-LBPRGKRZSA-N -1 1 273.357 2.781 20 0 CFADMM CC1(C)CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000075235615 374472269 /nfs/dbraw/zinc/47/22/69/374472269.db2.gz BRWZGPBDGZLJAR-UHFFFAOYSA-N -1 1 253.729 2.918 20 0 CFADMM COc1cncc(/C=C\C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000492434776 246291432 /nfs/dbraw/zinc/29/14/32/246291432.db2.gz DZIAKOUOSYJMAX-DJWKRKHSSA-N -1 1 288.278 2.587 20 0 CFADMM CC(C)C[C@H](CCO)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000081821673 374718243 /nfs/dbraw/zinc/71/82/43/374718243.db2.gz DSAKVWJRRONHMO-NSHDSACASA-N -1 1 299.798 2.820 20 0 CFADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000529465190 383703594 /nfs/dbraw/zinc/70/35/94/383703594.db2.gz IQALPUMHXDZVAB-FBSDJGSXSA-N -1 1 285.290 2.668 20 0 CFADMM O=C(Cc1cccc(O)c1)Nc1ccc([O-])c(Cl)c1 ZINC000085204434 374797039 /nfs/dbraw/zinc/79/70/39/374797039.db2.gz XWUHURIPVLQCGG-UHFFFAOYSA-N -1 1 277.707 2.932 20 0 CFADMM C[C@H](c1c(F)cccc1F)N1CCC(C(=O)[O-])CC1 ZINC000086727751 374806448 /nfs/dbraw/zinc/80/64/48/374806448.db2.gz AONJPNMMWQSLBE-SECBINFHSA-N -1 1 269.291 2.822 20 0 CFADMM C[C@@H](c1c(F)cccc1F)N1CCC[C@@H](C(=O)[O-])C1 ZINC000226398545 296222665 /nfs/dbraw/zinc/22/26/65/296222665.db2.gz DADLXFJGADKHNX-VHSXEESVSA-N -1 1 269.291 2.822 20 0 CFADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000091527256 375053338 /nfs/dbraw/zinc/05/33/38/375053338.db2.gz AVDNJQXHTASWGV-UHFFFAOYSA-N -1 1 265.309 2.935 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1c1ccncc1 ZINC000093913231 375330646 /nfs/dbraw/zinc/33/06/46/375330646.db2.gz ZJSZKUVZILPTIY-CQSZACIVSA-N -1 1 286.306 2.904 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1c1ccncc1 ZINC000093913232 375331024 /nfs/dbraw/zinc/33/10/24/375331024.db2.gz ZJSZKUVZILPTIY-AWEZNQCLSA-N -1 1 286.306 2.904 20 0 CFADMM CC[C@H](CCO)CNC(=O)c1ccc2ccccc2c1[O-] ZINC000094959236 375399608 /nfs/dbraw/zinc/39/96/08/375399608.db2.gz ZOLAYKYGKXKTPJ-GFCCVEGCSA-N -1 1 287.359 2.684 20 0 CFADMM CCC(CC)C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000096744613 375493061 /nfs/dbraw/zinc/49/30/61/375493061.db2.gz TXHKAMHOFQOHQL-UHFFFAOYSA-N -1 1 277.336 2.679 20 0 CFADMM O=C(Nc1ccc[nH]c1=O)c1ccc2ccccc2c1[O-] ZINC000678306040 542003137 /nfs/dbraw/zinc/00/31/37/542003137.db2.gz FGIVXUBHIKOTMP-UHFFFAOYSA-N -1 1 280.283 2.898 20 0 CFADMM CSc1ccncc1NC(=O)c1ccccc1[O-] ZINC000678315946 542005059 /nfs/dbraw/zinc/00/50/59/542005059.db2.gz RGKCDQTTYNOEMI-UHFFFAOYSA-N -1 1 260.318 2.761 20 0 CFADMM CCCC(C)(C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000101575942 375643794 /nfs/dbraw/zinc/64/37/94/375643794.db2.gz WIGGRYUUFUZGDA-UHFFFAOYSA-N -1 1 277.336 2.822 20 0 CFADMM CCc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])cc1 ZINC000505749125 247152418 /nfs/dbraw/zinc/15/24/18/247152418.db2.gz 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/nfs/dbraw/zinc/85/62/95/375856295.db2.gz ODTQDNNGGLGMNB-UHFFFAOYSA-N -1 1 262.353 2.830 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@@H]2C[C@H]1CS2 ZINC000458322597 296240675 /nfs/dbraw/zinc/24/06/75/296240675.db2.gz OOBWAYBODYDMFJ-RYUDHWBXSA-N -1 1 285.368 2.875 20 0 CFADMM Cc1[nH]nc(C(=O)Nc2ccc(F)cc2OC(C)C)c1[O-] ZINC000679355256 542177505 /nfs/dbraw/zinc/17/75/05/542177505.db2.gz LWPMBODMCICESX-UHFFFAOYSA-N -1 1 293.298 2.602 20 0 CFADMM CC[C@@H]1C[C@H](C(=O)Nc2c([O-])cccc2F)CCO1 ZINC000679560552 542209026 /nfs/dbraw/zinc/20/90/26/542209026.db2.gz OBXRDQOMLOGQLU-NXEZZACHSA-N -1 1 267.300 2.675 20 0 CFADMM CC[C@H]1C[C@@H](C(=O)Nc2c([O-])cccc2F)CCO1 ZINC000679560553 542209094 /nfs/dbraw/zinc/20/90/94/542209094.db2.gz OBXRDQOMLOGQLU-UWVGGRQHSA-N -1 1 267.300 2.675 20 0 CFADMM O=c1cc(CSC2CCOCC2)c2ccc([O-])cc2o1 ZINC000130964130 377638323 /nfs/dbraw/zinc/63/83/23/377638323.db2.gz QENGTMNTBDCABQ-UHFFFAOYSA-N -1 1 292.356 2.911 20 0 CFADMM CSCCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000132689391 377867093 /nfs/dbraw/zinc/86/70/93/377867093.db2.gz AGQBVZMMLMRGEK-UHFFFAOYSA-N -1 1 297.804 2.511 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1[C@H]1CCCC1=O ZINC000132851796 377882425 /nfs/dbraw/zinc/88/24/25/377882425.db2.gz HZUMIYPHDYXCFK-YPMHNXCESA-N -1 1 291.322 2.505 20 0 CFADMM CC(C)([N-]S(=O)(=O)c1sccc1F)C1CCC1 ZINC000451857962 383726401 /nfs/dbraw/zinc/72/64/01/383726401.db2.gz ATVNTXKKCHUPDN-UHFFFAOYSA-N -1 1 277.386 2.744 20 0 CFADMM O=C(NCc1nc(C2CC2)cs1)c1cc(F)ccc1[O-] ZINC000151017209 378285708 /nfs/dbraw/zinc/28/57/08/378285708.db2.gz FYBKBBBOBAEPRC-UHFFFAOYSA-N -1 1 292.335 2.795 20 0 CFADMM COCCC1(CNC(=O)c2cc(Cl)ccc2[O-])CCC1 ZINC000151600377 378340652 /nfs/dbraw/zinc/34/06/52/378340652.db2.gz UYOQLBPLGMUMFV-UHFFFAOYSA-N -1 1 297.782 2.982 20 0 CFADMM COC[C@H](NC(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000151706471 378349884 /nfs/dbraw/zinc/34/98/84/378349884.db2.gz WCLOSYJSTJLPQA-HNNXBMFYSA-N -1 1 285.343 2.700 20 0 CFADMM CC(C)(C)c1cc(C(=O)[N-]c2nnc(C3CC3)s2)no1 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284.315 2.828 20 0 CFADMM C[C@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000334630338 379662007 /nfs/dbraw/zinc/66/20/07/379662007.db2.gz IDIPUALXUYAUCG-ZBEGNZNMSA-N -1 1 295.338 2.625 20 0 CFADMM O=C(CCCc1nn[n-]n1)Nc1ccc2c(c1)C=CCCC2 ZINC000636201928 383740306 /nfs/dbraw/zinc/74/03/06/383740306.db2.gz NXIBVYXQZLBKAV-UHFFFAOYSA-N -1 1 297.362 2.511 20 0 CFADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])[C@H]1CCCOC1 ZINC000335755771 379837275 /nfs/dbraw/zinc/83/72/75/379837275.db2.gz XCDXKTHFVRHXJH-UWVGGRQHSA-N -1 1 283.755 2.591 20 0 CFADMM C[C@H]1CC(C)(C)CN1C(=O)c1ccc([O-])cc1F ZINC000335203212 380001475 /nfs/dbraw/zinc/00/14/75/380001475.db2.gz WHYFQQZWHLBKPS-VIFPVBQESA-N -1 1 251.301 2.792 20 0 CFADMM C[C@]1(C(=O)Nc2ccc([O-])c(F)c2F)CC1(F)F ZINC000335208137 380010802 /nfs/dbraw/zinc/01/08/02/380010802.db2.gz GQPNZJARZWSKSC-SNVBAGLBSA-N -1 1 263.190 2.654 20 0 CFADMM CO[C@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335215695 380021352 /nfs/dbraw/zinc/02/13/52/380021352.db2.gz JXVWGLSHKXJKID-KCJUWKMLSA-N -1 1 285.290 2.814 20 0 CFADMM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335216908 380022650 /nfs/dbraw/zinc/02/26/50/380022650.db2.gz MLHWJNFJSUWMHC-SFYZADRCSA-N -1 1 255.264 2.901 20 0 CFADMM CO[C@@H]1CCC[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000335219917 380027271 /nfs/dbraw/zinc/02/72/71/380027271.db2.gz VIIZJONFFDVWRB-RKDXNWHRSA-N -1 1 285.290 2.814 20 0 CFADMM C[C@@H]1CC(C(=O)Nc2ccc([O-])c(F)c2F)C[C@@H](C)O1 ZINC000335220496 380028627 /nfs/dbraw/zinc/02/86/27/380028627.db2.gz UXAHKPROSPGLTC-HTQZYQBOSA-N -1 1 285.290 2.813 20 0 CFADMM CC(C)N(C(=O)c1ccc([O-])cc1F)C1CCC1 ZINC000335886443 380053857 /nfs/dbraw/zinc/05/38/57/380053857.db2.gz JXCZCDDKTHOKAG-UHFFFAOYSA-N -1 1 251.301 2.934 20 0 CFADMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)CS1 ZINC000335248103 380077740 /nfs/dbraw/zinc/07/77/40/380077740.db2.gz GIUPXKPXVQTVGR-ONGXEEELSA-N -1 1 297.401 2.605 20 0 CFADMM C[C@@]1(c2nc(-c3ccc([O-])cc3F)no2)C[C@H]1F ZINC000335247837 380077932 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380252761 /nfs/dbraw/zinc/25/27/61/380252761.db2.gz ANPJHPGFPFELMQ-OAHLLOKOSA-N -1 1 296.370 2.800 20 0 CFADMM C[S@@](=O)c1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000336505386 380379786 /nfs/dbraw/zinc/37/97/86/380379786.db2.gz PLVHVEQPLCIUMY-HXUWFJFHSA-N -1 1 293.319 2.521 20 0 CFADMM Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@H](Nc3ccccc3)C2)n1 ZINC000177921332 380394779 /nfs/dbraw/zinc/39/47/79/380394779.db2.gz BPOWOQPUFWFVAB-ZFWWWQNUSA-N -1 1 298.390 2.738 20 0 CFADMM O=C(N[C@H]1CCc2ccccc21)c1ccc([O-])cc1F ZINC000336557905 380462744 /nfs/dbraw/zinc/46/27/44/380462744.db2.gz NWCUNEWNUJZTMR-HNNXBMFYSA-N -1 1 271.291 2.949 20 0 CFADMM CCN(C(=O)c1c[nH]c2ccccc2c1=O)C1CCC1 ZINC000336560075 380466300 /nfs/dbraw/zinc/46/63/00/380466300.db2.gz VNGJXBHBWZJETD-UHFFFAOYSA-N -1 1 270.332 2.543 20 0 CFADMM C[C@H](O)C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000279119497 194292457 /nfs/dbraw/zinc/29/24/57/194292457.db2.gz ACKVFZIHSSTDBS-CMPLNLGQSA-N -1 1 297.782 2.811 20 0 CFADMM 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383786656 /nfs/dbraw/zinc/78/66/56/383786656.db2.gz GQQSQIZUIAQWRC-UHFFFAOYSA-N -1 1 291.376 2.749 20 0 CFADMM CCc1cc(=O)[n-]c(S[C@H](C)c2cccnc2)n1 ZINC000436192304 383786744 /nfs/dbraw/zinc/78/67/44/383786744.db2.gz BYQBFRXWPSZAKU-SECBINFHSA-N -1 1 261.350 2.993 20 0 CFADMM CCc1nnc([C@H](C)Sc2nc(CC)cc(=O)[n-]2)o1 ZINC000436213358 383788929 /nfs/dbraw/zinc/78/89/29/383788929.db2.gz XTQWGAGTUFRVIR-ZETCQYMHSA-N -1 1 280.353 2.543 20 0 CFADMM CCc1cc(=O)[n-]c(SC[C@@H]2CCC(C)(C)O2)n1 ZINC000436212241 383789065 /nfs/dbraw/zinc/78/90/65/383789065.db2.gz UFKIAHKLLPWKHK-JTQLQIEISA-N -1 1 268.382 2.794 20 0 CFADMM O=C(CCc1cncs1)Nc1c([O-])cccc1F ZINC000645926943 383797882 /nfs/dbraw/zinc/79/78/82/383797882.db2.gz WDXSDQGXYKXEEE-UHFFFAOYSA-N -1 1 266.297 2.559 20 0 CFADMM COc1ccc2nc(SCc3ncccc3O)[nH]c2c1 ZINC000572600028 383798045 /nfs/dbraw/zinc/79/80/45/383798045.db2.gz IITIOOOUKNELTQ-UHFFFAOYSA-N -1 1 287.344 2.964 20 0 CFADMM CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000436554280 383836165 /nfs/dbraw/zinc/83/61/65/383836165.db2.gz JMOOWPOGUUPQIG-LBPRGKRZSA-N -1 1 296.798 2.650 20 0 CFADMM C[C@@H](Cc1ccncc1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436575253 383841418 /nfs/dbraw/zinc/84/14/18/383841418.db2.gz NGZXVHLXVDOZRM-JTQLQIEISA-N -1 1 290.750 2.802 20 0 CFADMM CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436589638 383848521 /nfs/dbraw/zinc/84/85/21/383848521.db2.gz KVGMZPVPLMWZES-AAEUAGOBSA-N -1 1 283.755 2.733 20 0 CFADMM [O-]c1cccc(CN2CCC[C@H]2c2ncon2)c1Cl ZINC000646070633 383849135 /nfs/dbraw/zinc/84/91/35/383849135.db2.gz VLFVPOFDSAEWND-JTQLQIEISA-N -1 1 279.727 2.766 20 0 CFADMM CC[C@H](C)n1ncc(NC(=O)c2ccc(O)cc2[O-])c1C ZINC000436598436 383849669 /nfs/dbraw/zinc/84/96/69/383849669.db2.gz ZEFNECLPOLKPPB-VIFPVBQESA-N -1 1 289.335 2.826 20 0 CFADMM C[C@@H](Cc1cccc(O)c1)NC(=O)c1cc(F)ccc1[O-] ZINC000436600427 383852510 /nfs/dbraw/zinc/85/25/10/383852510.db2.gz DZJRPAXKDQXDBW-JTQLQIEISA-N -1 1 289.306 2.598 20 0 CFADMM O=C(NCCc1ccon1)c1ccc2ccccc2c1[O-] 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O=C(Nc1nc2cc(F)ccc2[nH]1)c1ccccc1[O-] ZINC000436727641 383882865 /nfs/dbraw/zinc/88/28/65/383882865.db2.gz AWEDKNXVTLDWQX-UHFFFAOYSA-N -1 1 271.251 2.660 20 0 CFADMM Cn1cccc1CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436751350 383889887 /nfs/dbraw/zinc/88/98/87/383889887.db2.gz KUXQHDAFARVDHI-UHFFFAOYSA-N -1 1 298.264 2.680 20 0 CFADMM O=C(N[C@H]1CCC[C@H]1F)c1cc(Cl)ccc1[O-] ZINC000436766243 383892571 /nfs/dbraw/zinc/89/25/71/383892571.db2.gz CGPFPCGIFCJUIS-ZJUUUORDSA-N -1 1 257.692 2.666 20 0 CFADMM O=C(Nc1ccc2c(c1)CCOC2)c1cc(C(F)F)n[nH]1 ZINC000640703345 383892603 /nfs/dbraw/zinc/89/26/03/383892603.db2.gz BQPZAFCGUWYYEH-UHFFFAOYSA-N -1 1 293.273 2.672 20 0 CFADMM CCn1nccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436766073 383892601 /nfs/dbraw/zinc/89/26/01/383892601.db2.gz ZNZSODHWVUAVCI-UHFFFAOYSA-N -1 1 299.252 2.880 20 0 CFADMM O=C(NC1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436768322 383893210 /nfs/dbraw/zinc/89/32/10/383893210.db2.gz IULIFSGQBADTFU-UHFFFAOYSA-N -1 1 259.227 2.693 20 0 CFADMM 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IQELHKCGBTZBCM-UHFFFAOYSA-N -1 1 271.291 2.885 20 0 CFADMM CCc1cc(=O)[n-]c(S[C@@H]2CCCCCC2=O)n1 ZINC000683454841 542681892 /nfs/dbraw/zinc/68/18/92/542681892.db2.gz WGNQMEVKNLVFNC-LLVKDONJSA-N -1 1 266.366 2.739 20 0 CFADMM O=C([N-]c1nnc(-c2ccco2)s1)c1nccs1 ZINC000683534193 542693852 /nfs/dbraw/zinc/69/38/52/542693852.db2.gz RNKVELXQBQPZTG-UHFFFAOYSA-N -1 1 278.318 2.507 20 0 CFADMM CCCCCc1nnc([N-]C(=O)c2nccs2)s1 ZINC000683534673 542693942 /nfs/dbraw/zinc/69/39/42/542693942.db2.gz PLLCRZTXKRZUMV-UHFFFAOYSA-N -1 1 282.394 2.980 20 0 CFADMM O=S(=O)([N-]c1cc(C2CC2)n[nH]1)c1ccccc1Cl ZINC000268479413 132015548 /nfs/dbraw/zinc/01/55/48/132015548.db2.gz KQNQQCPURLDGOH-UHFFFAOYSA-N -1 1 297.767 2.741 20 0 CFADMM CCC[C@H]1CCCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC000185405869 393533517 /nfs/dbraw/zinc/53/35/17/393533517.db2.gz JUVYKJMITUAPKO-LBPRGKRZSA-N -1 1 272.352 2.753 20 0 CFADMM C[C@@H]1CC[C@@H](CNC(=O)c2ccc([O-])c(F)c2)C1 ZINC000684512902 542820862 /nfs/dbraw/zinc/82/08/62/542820862.db2.gz IBORQVFYPVUKNC-NXEZZACHSA-N -1 1 251.301 2.697 20 0 CFADMM CC1(C)C(CNC(=O)c2ccc([O-])c(F)c2)C1(C)C ZINC000684528767 542823452 /nfs/dbraw/zinc/82/34/52/542823452.db2.gz CKGJRWGGOZSRKU-UHFFFAOYSA-N -1 1 265.328 2.943 20 0 CFADMM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000046813222 393582486 /nfs/dbraw/zinc/58/24/86/393582486.db2.gz GELNBVIGVDZING-MWLCHTKSSA-N -1 1 289.347 2.822 20 0 CFADMM Cc1cc(-c2nc(=O)c3c4c(sc3[n-]2)CCC4)no1 ZINC000684558188 542826526 /nfs/dbraw/zinc/82/65/26/542826526.db2.gz DGVFBGUCZCCIFE-UHFFFAOYSA-N -1 1 273.317 2.849 20 0 CFADMM COc1ccc(S(=O)(=O)[N-]c2cncc(C)c2)cc1C ZINC000074831799 393665112 /nfs/dbraw/zinc/66/51/12/393665112.db2.gz CFVIHAUSUGQPJE-UHFFFAOYSA-N -1 1 292.360 2.508 20 0 CFADMM Cn1ccc(CNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000081380794 393733264 /nfs/dbraw/zinc/73/32/64/393733264.db2.gz LGSSUTANAGLBJP-UHFFFAOYSA-N -1 1 280.327 2.814 20 0 CFADMM O=C(Nc1ccc2c(c1)CCCO2)c1ccc(O)cc1[O-] ZINC000195418454 393740587 /nfs/dbraw/zinc/74/05/87/393740587.db2.gz LLRABOQPMYBVMD-UHFFFAOYSA-N -1 1 285.299 2.675 20 0 CFADMM Cc1cnc(C(=O)N2CCS[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000335931141 393708871 /nfs/dbraw/zinc/70/88/71/393708871.db2.gz HMNTXMHFFKSVGM-AAEUAGOBSA-N -1 1 292.404 2.596 20 0 CFADMM O=C(N[C@H]1C[C@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000080004644 393723346 /nfs/dbraw/zinc/72/33/46/393723346.db2.gz QNDCVWSARNZMDO-JSGCOSHPSA-N -1 1 271.291 2.817 20 0 CFADMM COc1ccc(C(=O)Nc2c(C)cccc2OC)c([O-])c1 ZINC000195020383 393728531 /nfs/dbraw/zinc/72/85/31/393728531.db2.gz JIAUPOALRGAAFQ-UHFFFAOYSA-N -1 1 287.315 2.970 20 0 CFADMM CCC[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)OCC ZINC000195083277 393730869 /nfs/dbraw/zinc/73/08/69/393730869.db2.gz MSBHXOXKGRNWDK-NSHDSACASA-N -1 1 296.392 2.884 20 0 CFADMM COCC1(C(=O)Nc2ccc([O-])c(F)c2F)CCCC1 ZINC000457886005 393797123 /nfs/dbraw/zinc/79/71/23/393797123.db2.gz VSUQSSXTJFFEAW-UHFFFAOYSA-N -1 1 285.290 2.816 20 0 CFADMM Cc1cnc(C(=O)N[C@H](C)CCCc2cccnc2)c([O-])c1 ZINC000457923010 393802600 /nfs/dbraw/zinc/80/26/00/393802600.db2.gz HMGXJWAHUQTXOR-CYBMUJFWSA-N -1 1 299.374 2.632 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)[n-]1 ZINC000415651352 393814853 /nfs/dbraw/zinc/81/48/53/393814853.db2.gz UBRIQSFGKKYPEM-UWVGGRQHSA-N -1 1 293.367 2.597 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)C2C[C@@H](C)C[C@H](C)C2)n1 ZINC000415651352 393814855 /nfs/dbraw/zinc/81/48/55/393814855.db2.gz UBRIQSFGKKYPEM-UWVGGRQHSA-N -1 1 293.367 2.597 20 0 CFADMM O=C(N[C@H]1CC12CC2)c1ccc2ccccc2c1[O-] ZINC000424987187 393870012 /nfs/dbraw/zinc/87/00/12/393870012.db2.gz NWGGKJZDMWEHMV-ZDUSSCGKSA-N -1 1 253.301 2.828 20 0 CFADMM C[C@@H]1CCc2nc(CN3CCC[C@H](C(=O)[O-])C3)sc2C1 ZINC000107833754 393871192 /nfs/dbraw/zinc/87/11/92/393871192.db2.gz GFTHKEPRVXJOOO-MNOVXSKESA-N -1 1 294.420 2.565 20 0 CFADMM Cc1cccc2c1CC[C@H]2NC(=O)c1cncc([O-])c1 ZINC000111610746 393887068 /nfs/dbraw/zinc/88/70/68/393887068.db2.gz IUMYLCKOSHKWJG-OAHLLOKOSA-N -1 1 268.316 2.513 20 0 CFADMM O=C(NC[C@@H]1CC12CC2)c1ccc(Br)cc1[O-] ZINC000416256212 393890530 /nfs/dbraw/zinc/89/05/30/393890530.db2.gz JSYYNHPUQLBTHF-QMMMGPOBSA-N -1 1 296.164 2.685 20 0 CFADMM CC[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)[C@H]1CC1(C)C ZINC000416272231 393892958 /nfs/dbraw/zinc/89/29/58/393892958.db2.gz CIZFAGOPJCEZFX-CHWSQXEVSA-N -1 1 275.348 2.516 20 0 CFADMM CC(C)(C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870826 542864451 /nfs/dbraw/zinc/86/44/51/542864451.db2.gz RXNAROUFIFSIKH-UHFFFAOYSA-N -1 1 261.243 2.939 20 0 CFADMM Cc1cnccc1CCNC(=O)c1ccc(Cl)cc1[O-] ZINC000120722412 393939363 /nfs/dbraw/zinc/93/93/63/393939363.db2.gz JKWSPLZBMKURTB-UHFFFAOYSA-N -1 1 290.750 2.722 20 0 CFADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000253543444 393941782 /nfs/dbraw/zinc/94/17/82/393941782.db2.gz MJTIOTBBIGMKHC-YABSGUDNSA-N -1 1 299.374 2.890 20 0 CFADMM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1c([O-])cccc1F ZINC000120819024 393941937 /nfs/dbraw/zinc/94/19/37/393941937.db2.gz CHTBWLAALBTKGZ-DGCLKSJQSA-N -1 1 271.291 2.817 20 0 CFADMM O=C([O-])c1ccc(CN2CCOC[C@H]2CC2CCC2)cc1 ZINC000263392180 393962273 /nfs/dbraw/zinc/96/22/73/393962273.db2.gz FNSRQPIRXDJQCI-MRXNPFEDSA-N -1 1 289.375 2.776 20 0 CFADMM O=C(NC[C@@H]1CCCS1)c1cc(Cl)ccc1[O-] ZINC000122170097 393965177 /nfs/dbraw/zinc/96/51/77/393965177.db2.gz LQPUQIWIMUTSLN-VIFPVBQESA-N -1 1 271.769 2.671 20 0 CFADMM Cc1nnc(N(C)C(=O)c2cc3ccccc3cc2[O-])s1 ZINC000436812717 394023492 /nfs/dbraw/zinc/02/34/92/394023492.db2.gz GBTZEAFLUFGPEC-UHFFFAOYSA-N -1 1 299.355 2.982 20 0 CFADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccco2)c1 ZINC000417588637 393980382 /nfs/dbraw/zinc/98/03/82/393980382.db2.gz UUVGKFZZZLIMFU-CQSZACIVSA-N -1 1 275.304 2.594 20 0 CFADMM Cc1cc(F)c(CN[C@@H]2C=C[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000417614694 393984563 /nfs/dbraw/zinc/98/45/63/393984563.db2.gz FOBDTURASNGITO-NXEZZACHSA-N -1 1 283.730 2.906 20 0 CFADMM CCCC[C@H](CC)CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000436829673 394025328 /nfs/dbraw/zinc/02/53/28/394025328.db2.gz MIJGOTSGIWEIHN-LBPRGKRZSA-N -1 1 277.364 2.908 20 0 CFADMM Cc1cc([C@@H](C)NC(=O)C(=O)c2ccc([O-])cc2)c(C)o1 ZINC000436941126 394037538 /nfs/dbraw/zinc/03/75/38/394037538.db2.gz BYHQVMGUGOKPHS-SNVBAGLBSA-N -1 1 287.315 2.662 20 0 CFADMM Cc1cc(NC(=O)c2ccccc2[O-])cc2n[nH]cc21 ZINC000436960730 394038521 /nfs/dbraw/zinc/03/85/21/394038521.db2.gz HWPDULFXWDGLNK-UHFFFAOYSA-N -1 1 267.288 2.829 20 0 CFADMM O=C(N[C@@H]1COc2ccc(F)cc21)c1c([O-])cccc1F ZINC000436987263 394041453 /nfs/dbraw/zinc/04/14/53/394041453.db2.gz IQHDPECGVYZYPJ-LLVKDONJSA-N -1 1 291.253 2.534 20 0 CFADMM CC(C)O[C@H]1C[C@@H](NC(=O)c2c([O-])cccc2F)C1(C)C ZINC000436990073 394041769 /nfs/dbraw/zinc/04/17/69/394041769.db2.gz QMTMGILIFPXCND-OLZOCXBDSA-N -1 1 295.354 2.853 20 0 CFADMM CCS[C@@H]1CCC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000128088435 394062902 /nfs/dbraw/zinc/06/29/02/394062902.db2.gz FDGPUXCNCHOEQG-CMPLNLGQSA-N -1 1 283.368 2.935 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCc2ncsc2C1 ZINC000438689174 394080201 /nfs/dbraw/zinc/08/02/01/394080201.db2.gz ZEIUVLIEEPIMRV-UHFFFAOYSA-N -1 1 294.763 2.701 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N3C[C@H](C)[C@@H](C)[C@H]3C)cnc2n1 ZINC000420206081 394094720 /nfs/dbraw/zinc/09/47/20/394094720.db2.gz DVTTUYKVVDOPTB-MVWJERBFSA-N -1 1 299.374 2.760 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1C[C@H](C)[C@@H](C)[C@H]1C)c2=O ZINC000420206081 394094725 /nfs/dbraw/zinc/09/47/25/394094725.db2.gz DVTTUYKVVDOPTB-MVWJERBFSA-N -1 1 299.374 2.760 20 0 CFADMM CC(C)n1nc2c(c1NC(=O)c1ccccc1[O-])CCC2 ZINC000436859851 394029426 /nfs/dbraw/zinc/02/94/26/394029426.db2.gz ZBVZEGIFOBRBKJ-UHFFFAOYSA-N -1 1 285.347 2.911 20 0 CFADMM CC(C)(CNC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436858531 394029739 /nfs/dbraw/zinc/02/97/39/394029739.db2.gz GHNPVYTZWQWQMK-UHFFFAOYSA-N -1 1 297.354 2.669 20 0 CFADMM O=C(NCc1ccc(Cl)cc1)C(=O)c1ccc([O-])cc1 ZINC000436860606 394029866 /nfs/dbraw/zinc/02/98/66/394029866.db2.gz PYLNZAHHSZSEBD-UHFFFAOYSA-N -1 1 289.718 2.545 20 0 CFADMM CN(CCc1ccccc1O)C(=O)c1c([O-])cccc1F ZINC000436916702 394033788 /nfs/dbraw/zinc/03/37/88/394033788.db2.gz AWZOYFBZFTWTPZ-UHFFFAOYSA-N -1 1 289.306 2.552 20 0 CFADMM Cc1cccc([C@@H](C)CNC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436909165 394033963 /nfs/dbraw/zinc/03/39/63/394033963.db2.gz LIHIQCAIKHIDOO-ZDUSSCGKSA-N -1 1 297.354 2.803 20 0 CFADMM O=C(NCCC1=CCCCCC1)C(=O)c1ccc([O-])cc1 ZINC000436913907 394034010 /nfs/dbraw/zinc/03/40/10/394034010.db2.gz ZYRRCWWNSPDZGQ-UHFFFAOYSA-N -1 1 287.359 2.972 20 0 CFADMM CC[C@H](C[C@@H](C)CO)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436905344 394034379 /nfs/dbraw/zinc/03/43/79/394034379.db2.gz NVMWSFMHTFCXKG-MWLCHTKSSA-N -1 1 285.771 2.573 20 0 CFADMM CC(C)c1ncc(NC(=O)c2ccc([O-])cc2F)cn1 ZINC000436926189 394035411 /nfs/dbraw/zinc/03/54/11/394035411.db2.gz INHQDEMNBWMQCS-UHFFFAOYSA-N -1 1 275.283 2.697 20 0 CFADMM CC(C)(C)CC[C@@H](CO)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436931151 394035973 /nfs/dbraw/zinc/03/59/73/394035973.db2.gz JONRUMJXLDWTDW-NSHDSACASA-N -1 1 299.798 2.963 20 0 CFADMM CC[C@@H](CS(=O)(=O)[N-]c1cc(F)cc(Cl)c1)OC ZINC000421151562 394176804 /nfs/dbraw/zinc/17/68/04/394176804.db2.gz JZGFNHKOMBVVPF-NSHDSACASA-N -1 1 295.763 2.646 20 0 CFADMM CC(C)c1occc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000359264728 394129264 /nfs/dbraw/zinc/12/92/64/394129264.db2.gz QWKXCONPWVBZHH-UHFFFAOYSA-N -1 1 297.318 2.835 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]1[C@@H]1CCCO1 ZINC000285936948 394169206 /nfs/dbraw/zinc/16/92/06/394169206.db2.gz VUOGJLUHCYLHGR-JSGCOSHPSA-N -1 1 295.766 2.829 20 0 CFADMM Cc1ccc([C@@]2(C)CCN(C(=O)c3ncccc3[O-])C2)cc1 ZINC000364413885 394210354 /nfs/dbraw/zinc/21/03/54/394210354.db2.gz OCGLEOPQDARKRY-SFHVURJKSA-N -1 1 296.370 2.899 20 0 CFADMM COc1cc(C(=O)N[C@H](C)CC2CC2)cc(Cl)c1[O-] ZINC000135102944 394211379 /nfs/dbraw/zinc/21/13/79/394211379.db2.gz LIMRHAHJZZKRLL-MRVPVSSYSA-N -1 1 283.755 2.973 20 0 CFADMM C[C@@]12CCN(C(=O)c3ccc([O-])cc3F)C[C@@H]1C2(F)F ZINC000293677218 394284355 /nfs/dbraw/zinc/28/43/55/394284355.db2.gz OGSFIRDLYKPQAP-WCQYABFASA-N -1 1 285.265 2.649 20 0 CFADMM COc1c(F)ccc(F)c1C(=O)[N-]c1nocc1C ZINC000154673222 394298976 /nfs/dbraw/zinc/29/89/76/394298976.db2.gz SHFMXMHMUBHMGR-UHFFFAOYSA-N -1 1 268.219 2.522 20 0 CFADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([O-])cc2F)C1(C)C ZINC000154919075 394305261 /nfs/dbraw/zinc/30/52/61/394305261.db2.gz HUSQNZFVXCEPRP-UONOGXRCSA-N -1 1 295.354 2.807 20 0 CFADMM CC[C@@H]1CCC[C@@H]1CN=c1nc([C@@H](C)OC)[n-]s1 ZINC000450667358 394314088 /nfs/dbraw/zinc/31/40/88/394314088.db2.gz ZZDXDXHVPNPUTG-GMTAPVOTSA-N -1 1 269.414 2.906 20 0 CFADMM CC[C@@](C)(CN=c1[n-]c(C(F)(F)F)cs1)OC ZINC000450717635 394324592 /nfs/dbraw/zinc/32/45/92/394324592.db2.gz QKWKNKXMZYOTFM-VIFPVBQESA-N -1 1 268.304 2.811 20 0 CFADMM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000157534537 394347137 /nfs/dbraw/zinc/34/71/37/394347137.db2.gz HRECLCQQWNDIDY-SECBINFHSA-N -1 1 277.336 2.678 20 0 CFADMM FC(F)(F)C1CCC(SCc2nn[n-]n2)CC1 ZINC000451038435 394349386 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COc1cccc(CNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000021869971 171334923 /nfs/dbraw/zinc/33/49/23/171334923.db2.gz OJCLQYDDNFEPGK-UHFFFAOYSA-N -1 1 291.734 2.984 20 0 CFADMM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccoc1)C(F)(F)F ZINC000284953443 196163477 /nfs/dbraw/zinc/16/34/77/196163477.db2.gz BOXIIMQBYKKEPC-SECBINFHSA-N -1 1 299.314 2.925 20 0 CFADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccsc2)[nH]n1 ZINC000285016577 196179696 /nfs/dbraw/zinc/17/96/96/196179696.db2.gz HHGJDFMPKXAVJO-UHFFFAOYSA-N -1 1 299.421 2.861 20 0 CFADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])[C@H]1CCCO1 ZINC000035248508 172079179 /nfs/dbraw/zinc/07/91/79/172079179.db2.gz FCLPWUPXJQWMHU-MEDUHNTESA-N -1 1 285.343 2.843 20 0 CFADMM O=C([O-])C1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000035299643 172114093 /nfs/dbraw/zinc/11/40/93/172114093.db2.gz KXXSQSSLOLBJLK-UHFFFAOYSA-N -1 1 271.719 2.776 20 0 CFADMM CC1(NC(=O)c2ccc(Cl)cc2[O-])CC=CC1 ZINC000654006994 413650524 /nfs/dbraw/zinc/65/05/24/413650524.db2.gz NMIFAVOSRMHFIQ-UHFFFAOYSA-N -1 1 251.713 2.884 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000653926836 413605318 /nfs/dbraw/zinc/60/53/18/413605318.db2.gz GLBBGVQJMYHUNW-IUODEOHRSA-N -1 1 275.323 2.792 20 0 CFADMM O=S(=O)([N-]C1CC2(CCC2)C1)c1cccc(F)c1F ZINC000651918721 413715028 /nfs/dbraw/zinc/71/50/28/413715028.db2.gz NCAHBGMVSVERSG-UHFFFAOYSA-N -1 1 287.331 2.576 20 0 CFADMM CC(C)c1noc([N-][C@@H](CO)c2ccc(F)cc2F)n1 ZINC000664607507 413866968 /nfs/dbraw/zinc/86/69/68/413866968.db2.gz MLBKABXJNLKDTJ-NSHDSACASA-N -1 1 283.278 2.617 20 0 CFADMM O=C([O-])CCCCCN1CCOc2cccc(F)c2C1 ZINC000652444567 413953747 /nfs/dbraw/zinc/95/37/47/413953747.db2.gz CTHWAATXYFEQRL-UHFFFAOYSA-N -1 1 281.327 2.665 20 0 CFADMM CC[C@]1(C)CCC[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000652416667 413934500 /nfs/dbraw/zinc/93/45/00/413934500.db2.gz ZPLKBNSQLQACMU-CQSZACIVSA-N -1 1 251.326 2.990 20 0 CFADMM CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1oncc1C(=O)[O-] ZINC000652414790 413936054 /nfs/dbraw/zinc/93/60/54/413936054.db2.gz XUPMGQMIRROSND-CQSZACIVSA-N -1 1 286.331 2.882 20 0 CFADMM CC[C@@H]1c2ccccc2CCN1Cc1oncc1C(=O)[O-] ZINC000652414790 413936057 /nfs/dbraw/zinc/93/60/57/413936057.db2.gz XUPMGQMIRROSND-CQSZACIVSA-N -1 1 286.331 2.882 20 0 CFADMM Cc1cc(F)ccc1CN(C)Cc1ccc(C(=O)[O-])cn1 ZINC000652431546 413946026 /nfs/dbraw/zinc/94/60/26/413946026.db2.gz XEHKYSJVRMQVSH-UHFFFAOYSA-N -1 1 288.322 2.859 20 0 CFADMM CC(C)c1noc([N-][C@@H](c2ccccc2)[C@@H](C)O)n1 ZINC000664657740 413889417 /nfs/dbraw/zinc/88/94/17/413889417.db2.gz PJWNWNFIQVURBB-ZYHUDNBSSA-N -1 1 261.325 2.727 20 0 CFADMM Cc1cnc([C@H](C)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cn1 ZINC000652469732 413971453 /nfs/dbraw/zinc/97/14/53/413971453.db2.gz DDYSGJKYATXGNO-WFASDCNBSA-N -1 1 297.358 2.530 20 0 CFADMM CO[C@H]1CC[C@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000664850574 413974194 /nfs/dbraw/zinc/97/41/94/413974194.db2.gz URHDXZWDNOCYGY-WPRPVWTQSA-N -1 1 278.283 2.864 20 0 CFADMM C[C@@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)[C@@H]1CCCO1 ZINC000664849994 413974946 /nfs/dbraw/zinc/97/49/46/413974946.db2.gz OGVKOQABPHVIMF-ZANVPECISA-N -1 1 292.310 2.939 20 0 CFADMM C[C@@H]1CN(Cc2csc(C3CC3)n2)CC[C@@H]1C(=O)[O-] ZINC000652497156 413989067 /nfs/dbraw/zinc/98/90/67/413989067.db2.gz NFOPPFLKEBDGNO-SKDRFNHKSA-N -1 1 280.393 2.563 20 0 CFADMM C[C@@H]1CN(Cc2ccc3ccccc3c2)C[C@H](C(=O)[O-])O1 ZINC000652507768 413996610 /nfs/dbraw/zinc/99/66/10/413996610.db2.gz MVVYRDVVMRSXKG-MLGOLLRUSA-N -1 1 285.343 2.514 20 0 CFADMM CC(C)(C)c1cc(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)no1 ZINC000652512791 413998719 /nfs/dbraw/zinc/99/87/19/413998719.db2.gz OTDNNGIVMPHAAR-QWHCGFSZSA-N -1 1 292.379 2.515 20 0 CFADMM CC(C)c1ccc(C(=O)Nc2ncn(C(C)C)n2)c([O-])c1 ZINC000652727506 414048023 /nfs/dbraw/zinc/04/80/23/414048023.db2.gz UZOGJWRABZYFPC-UHFFFAOYSA-N -1 1 288.351 2.940 20 0 CFADMM CC[C@@H]1COC(C)(C)CN1C(=O)c1ccc([O-])c(F)c1 ZINC000652761015 414065700 /nfs/dbraw/zinc/06/57/00/414065700.db2.gz LLRMJKXIBQRFBK-LLVKDONJSA-N -1 1 281.327 2.561 20 0 CFADMM O=C(NCCC1(O)CCC1)c1cc2ccccc2cc1[O-] ZINC000285744170 196385758 /nfs/dbraw/zinc/38/57/58/196385758.db2.gz YCSSKRHCYYGTGD-UHFFFAOYSA-N -1 1 285.343 2.580 20 0 CFADMM CCc1ocnc1C(=O)[N-]c1ncccc1SC ZINC000652877271 414104896 /nfs/dbraw/zinc/10/48/96/414104896.db2.gz SKLAYUKWECHJPD-UHFFFAOYSA-N -1 1 263.322 2.606 20 0 CFADMM COC[C@H](CC(C)(C)C)NC(=O)c1ccc([O-])c(F)c1 ZINC000655304864 414181442 /nfs/dbraw/zinc/18/14/42/414181442.db2.gz JIUWCDLSYAAENE-NSHDSACASA-N -1 1 283.343 2.712 20 0 CFADMM Cc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C(C)(F)F)c1 ZINC000656187043 414529024 /nfs/dbraw/zinc/52/90/24/414529024.db2.gz YWMJBPMIOHPDGJ-UHFFFAOYSA-N -1 1 295.326 2.846 20 0 CFADMM [O-]c1cccc(CN2CC3(CC3(F)F)C2)c1Cl ZINC000656265669 414554106 /nfs/dbraw/zinc/55/41/06/414554106.db2.gz VFYIRHVMTTUJCU-UHFFFAOYSA-N -1 1 259.683 2.887 20 0 CFADMM C[C@@H](CC(=O)[O-])N(C)Cc1cc(-c2ccccc2)on1 ZINC000659791623 414555683 /nfs/dbraw/zinc/55/56/83/414555683.db2.gz DRYMCQLMMKWDKR-NSHDSACASA-N -1 1 274.320 2.637 20 0 CFADMM CCOc1ccc(NC(=O)c2ccccc2[O-])cc1CO ZINC000038033593 174031587 /nfs/dbraw/zinc/03/15/87/174031587.db2.gz JGLRIBHAHCFISQ-UHFFFAOYSA-N -1 1 287.315 2.536 20 0 CFADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1cc(F)ccc1[O-] ZINC000336321534 287299868 /nfs/dbraw/zinc/29/98/68/287299868.db2.gz PETOSWDWCAQTFD-GXSJLCMTSA-N -1 1 251.301 2.792 20 0 CFADMM CC1(C)CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000075235774 176676367 /nfs/dbraw/zinc/67/63/67/176676367.db2.gz BLNSAUXQBKSAKB-UHFFFAOYSA-N -1 1 253.729 2.918 20 0 CFADMM O=C(Nc1ccc(F)c(F)c1)c1ccc(O)cc1[O-] ZINC000192656826 227259965 /nfs/dbraw/zinc/25/99/65/227259965.db2.gz VDRYWACYBCSUJO-UHFFFAOYSA-N -1 1 265.215 2.628 20 0 CFADMM C[C@H](COCC1CC1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000650789892 420504051 /nfs/dbraw/zinc/50/40/51/420504051.db2.gz SDAIGKPXTLOPQC-SECBINFHSA-N -1 1 283.755 2.591 20 0 CFADMM COCCCCN(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000397126930 270316133 /nfs/dbraw/zinc/31/61/33/270316133.db2.gz NALOXBGAXQKVHD-UHFFFAOYSA-N -1 1 271.744 2.544 20 0 CFADMM CC[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@@H](O)CC ZINC000313090436 260246493 /nfs/dbraw/zinc/24/64/93/260246493.db2.gz SQCTXUHFUDZNGZ-CABCVRRESA-N -1 1 287.359 2.825 20 0 CFADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(C(C)C)n[nH]1 ZINC000188074394 261840785 /nfs/dbraw/zinc/84/07/85/261840785.db2.gz IAGKKPKYVOUTNQ-UHFFFAOYSA-N -1 1 293.392 2.896 20 0 CFADMM CC1(CNC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000223662394 270255845 /nfs/dbraw/zinc/25/58/45/270255845.db2.gz LPTYEHXNFPULTR-UHFFFAOYSA-N -1 1 284.153 2.685 20 0 CFADMM COC[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000094093827 265216308 /nfs/dbraw/zinc/21/63/08/265216308.db2.gz BQPXTZKUSKYJKP-AWEZNQCLSA-N -1 1 289.306 2.649 20 0 CFADMM O=C(Nc1ccc(-c2ncon2)cc1)c1cc(F)ccc1[O-] ZINC000094092772 265216355 /nfs/dbraw/zinc/21/63/55/265216355.db2.gz YMMQMUHORJOZAG-UHFFFAOYSA-N -1 1 299.261 2.834 20 0 CFADMM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000518988856 265281674 /nfs/dbraw/zinc/28/16/74/265281674.db2.gz KYGNKKPKLSCRJV-RISCZKNCSA-N -1 1 262.353 2.876 20 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285.343 2.531 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC=C(c2ccccn2)C1 ZINC000514820036 270354806 /nfs/dbraw/zinc/35/48/06/270354806.db2.gz LQGDCCSRPBBUPH-UHFFFAOYSA-N -1 1 298.317 2.856 20 0 CFADMM O=S(=O)(CCC1CCCC1)[N-]c1ccc(F)cn1 ZINC000514840464 270355597 /nfs/dbraw/zinc/35/55/97/270355597.db2.gz JMNIYMGACCEHLH-UHFFFAOYSA-N -1 1 272.345 2.543 20 0 CFADMM CCc1nc(SC[C@H](CC)OC)[n-]c(=O)c1C ZINC000514952600 270359061 /nfs/dbraw/zinc/35/90/61/270359061.db2.gz YDVNTQFSGUMLNR-VIFPVBQESA-N -1 1 256.371 2.570 20 0 CFADMM Cc1ccc(Nc2ccccc2C(=O)Nc2nnn[n-]2)cc1 ZINC000515330478 270368093 /nfs/dbraw/zinc/36/80/93/270368093.db2.gz HCOCLVIOPUVZSC-UHFFFAOYSA-N -1 1 294.318 2.504 20 0 CFADMM Cc1ccc(Nc2ccccc2C(=O)Nc2nn[n-]n2)cc1 ZINC000515330478 270368094 /nfs/dbraw/zinc/36/80/94/270368094.db2.gz HCOCLVIOPUVZSC-UHFFFAOYSA-N -1 1 294.318 2.504 20 0 CFADMM C[C@H]1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000516777016 270387891 /nfs/dbraw/zinc/38/78/91/270387891.db2.gz HQRMMBPAMHGVFF-NSHDSACASA-N -1 1 286.331 2.882 20 0 CFADMM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531009762 270819166 /nfs/dbraw/zinc/81/91/66/270819166.db2.gz JYYBQTROZFSEJW-LLVKDONJSA-N -1 1 279.361 2.757 20 0 CFADMM Cc1cnc(C(=O)N[C@H]2CCc3ccccc32)c([O-])c1 ZINC000358720377 279009679 /nfs/dbraw/zinc/00/96/79/279009679.db2.gz OQJPZVJHXQSGNY-ZDUSSCGKSA-N -1 1 268.316 2.513 20 0 CFADMM C[C@H]1C[C@H](c2cccs2)CN1C(=O)c1ncccc1[O-] ZINC000371764995 280018753 /nfs/dbraw/zinc/01/87/53/280018753.db2.gz JDIMNZQCUXQQMD-QWRGUYRKSA-N -1 1 288.372 2.867 20 0 CFADMM CC[C@H]1CCC[C@@H]1N=c1nc(C(F)(F)F)[n-]s1 ZINC000342544752 288224518 /nfs/dbraw/zinc/22/45/18/288224518.db2.gz QQLJASAPMHRYIN-BQBZGAKWSA-N -1 1 265.304 2.969 20 0 CFADMM CCCCc1nc(-c2ccc([O-])c(C(N)=O)c2)cs1 ZINC000048640429 280431373 /nfs/dbraw/zinc/43/13/73/280431373.db2.gz ZCWNKOXNMJGHTK-UHFFFAOYSA-N -1 1 276.361 2.957 20 0 CFADMM COc1cc(NC(=O)c2cc(F)ccc2[O-])cc(OC)c1 ZINC000080000593 280537109 /nfs/dbraw/zinc/53/71/09/280537109.db2.gz WYBGPZVNBKYDGM-UHFFFAOYSA-N -1 1 291.278 2.801 20 0 CFADMM O=S(=O)([N-]Cc1cccs1)c1cc2ccccc2o1 ZINC000084935859 280552330 /nfs/dbraw/zinc/55/23/30/280552330.db2.gz WWGAVQZZWNLWHD-UHFFFAOYSA-N -1 1 293.369 2.973 20 0 CFADMM C[C@@H]1CCCC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000118947329 280604791 /nfs/dbraw/zinc/60/47/91/280604791.db2.gz OUFPGDZBQKODEH-KOLCDFICSA-N -1 1 251.301 2.840 20 0 CFADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1cnn(C)c1 ZINC000119171089 280606290 /nfs/dbraw/zinc/60/62/90/280606290.db2.gz IRVFQTPNMTXSMQ-NSHDSACASA-N -1 1 295.342 2.770 20 0 CFADMM Cc1csc([C@@H](C)CNC(=O)c2ccc([O-])cc2F)n1 ZINC000119839653 280610654 /nfs/dbraw/zinc/61/06/54/280610654.db2.gz KQUOZBHCDJOFRJ-QMMMGPOBSA-N -1 1 294.351 2.830 20 0 CFADMM CCOc1cccc(CNC(=O)c2c([O-])cccc2F)c1 ZINC000119867272 280610769 /nfs/dbraw/zinc/61/07/69/280610769.db2.gz SLJALTHQDCHZAI-UHFFFAOYSA-N -1 1 289.306 2.860 20 0 CFADMM CCc1cnc(CCNC(=O)c2c([O-])cccc2F)s1 ZINC000126804044 280657192 /nfs/dbraw/zinc/65/71/92/280657192.db2.gz 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O=C([O-])c1ccc(CNCc2ccc3c(n2)CCC3)cc1 ZINC000583919077 325319223 /nfs/dbraw/zinc/31/92/23/325319223.db2.gz MCCAVUOJXNNEGT-UHFFFAOYSA-N -1 1 282.343 2.558 20 0 CFADMM O=S(=O)([N-][C@@H]1CCC[C@@H](F)C1)c1cccc(F)c1F ZINC000584229181 325339104 /nfs/dbraw/zinc/33/91/04/325339104.db2.gz JQULWHGGXMHRHO-RKDXNWHRSA-N -1 1 293.310 2.524 20 0 CFADMM CC(=O)N[C@](C)(C(=O)Nc1ccc([O-])c(Cl)c1)C(C)C ZINC000935020400 649865932 /nfs/dbraw/zinc/86/59/32/649865932.db2.gz ATGBWUCUKGPVPH-AWEZNQCLSA-N -1 1 298.770 2.535 20 0 CFADMM O=C([O-])c1cc(Cl)cc(-c2ccc3[nH]nnc3c2)c1 ZINC001243324780 782139223 /nfs/dbraw/zinc/13/92/23/782139223.db2.gz IMYPDHUEDMZPBK-UHFFFAOYSA-N -1 1 273.679 2.977 20 0 CFADMM O=C([O-])c1cc(Cl)cc(-c2ccc3nn[nH]c3c2)c1 ZINC001243324780 782139225 /nfs/dbraw/zinc/13/92/25/782139225.db2.gz IMYPDHUEDMZPBK-UHFFFAOYSA-N -1 1 273.679 2.977 20 0 CFADMM [O-]c1ccc(-c2ccc(N3CCOCC3)cn2)c(F)c1F ZINC001243338357 782142476 /nfs/dbraw/zinc/14/24/76/782142476.db2.gz FJLRXXSSBBZTRV-UHFFFAOYSA-N -1 1 292.285 2.569 20 0 CFADMM Cc1nnc2ccc(-c3ccc([O-])c(F)c3F)cn12 ZINC001243340536 782144220 /nfs/dbraw/zinc/14/42/20/782144220.db2.gz COWXEVIMJPDPDN-UHFFFAOYSA-N -1 1 261.231 2.689 20 0 CFADMM [O-]c1ccc(-c2cncc(N3CCOCC3)c2)c(F)c1F ZINC001243342955 782149644 /nfs/dbraw/zinc/14/96/44/782149644.db2.gz RLSHHSGQEHWNBW-UHFFFAOYSA-N -1 1 292.285 2.569 20 0 CFADMM [O-]c1ccc(-c2ccccc2-c2nn[nH]n2)c(F)c1F ZINC001243343292 782149961 /nfs/dbraw/zinc/14/99/61/782149961.db2.gz YVGHNZGZIJSGKE-UHFFFAOYSA-N -1 1 274.230 2.518 20 0 CFADMM O=C(Nc1cccc2ncccc21)c1ccc(O)cc1[O-] ZINC000192694255 534374670 /nfs/dbraw/zinc/37/46/70/534374670.db2.gz VBFRGRKLSWCGGO-UHFFFAOYSA-N -1 1 280.283 2.898 20 0 CFADMM CC(C)CCO[C@@H](C)C(=O)Nc1ccc(F)cc1[O-] ZINC000340330101 519671192 /nfs/dbraw/zinc/67/11/92/519671192.db2.gz PPXOGLQGASJXKL-JTQLQIEISA-N -1 1 269.316 2.921 20 0 CFADMM Cc1ccoc1CN[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000426743733 534447998 /nfs/dbraw/zinc/44/79/98/534447998.db2.gz VFEJRMZUZMSQMJ-NSHDSACASA-N -1 1 253.342 2.957 20 0 CFADMM CC(C)[C@@H]1CN(C(=O)c2ccc([O-])cc2F)CCS1 ZINC000181245142 519803916 /nfs/dbraw/zinc/80/39/16/519803916.db2.gz REEZLIYPAKIOHV-ZDUSSCGKSA-N -1 1 283.368 2.745 20 0 CFADMM CCCCCC(C)(C)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155609029 519939521 /nfs/dbraw/zinc/93/95/21/519939521.db2.gz ZTDOMWIRFPVMEM-GFCCVEGCSA-N -1 1 293.415 2.512 20 0 CFADMM CC(C)n1cc(C(=O)Nc2ccc(F)cc2[O-])cn1 ZINC000336043638 519946395 /nfs/dbraw/zinc/94/63/95/519946395.db2.gz VCMOAKHGRIVIDX-UHFFFAOYSA-N -1 1 263.272 2.561 20 0 CFADMM CCCS(=O)(=O)[N-]c1nccc2ccc(C)cc21 ZINC000334834851 520542274 /nfs/dbraw/zinc/54/22/74/520542274.db2.gz BUGGRRZNFBXLSQ-UHFFFAOYSA-N -1 1 264.350 2.695 20 0 CFADMM Cc1cnc(C(=O)NC[C@@H](c2cccnc2)C(C)C)c([O-])c1 ZINC000427130036 534529804 /nfs/dbraw/zinc/52/98/04/534529804.db2.gz DJPQRJUTTODGNO-CQSZACIVSA-N -1 1 299.374 2.660 20 0 CFADMM CCOc1ccc(F)c([N-]C(=O)c2cc(C)on2)c1F ZINC000340424492 521020333 /nfs/dbraw/zinc/02/03/33/521020333.db2.gz FGMVIDPLCPEYBT-UHFFFAOYSA-N -1 1 282.246 2.912 20 0 CFADMM O=C([O-])c1coc(CNC/C=C\c2ccc(F)cc2)c1 ZINC000426699303 534551302 /nfs/dbraw/zinc/55/13/02/534551302.db2.gz HSHTXOMTUQEGIA-UPHRSURJSA-N -1 1 275.279 2.920 20 0 CFADMM COC[C@@H](C)[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000360383859 522280875 /nfs/dbraw/zinc/28/08/75/522280875.db2.gz XWAWLMDLOHQZMS-BDAKNGLRSA-N -1 1 271.744 2.903 20 0 CFADMM CCc1nc(CN2CCCC[C@H]2CCC(=O)[O-])cs1 ZINC000050924292 522303853 /nfs/dbraw/zinc/30/38/53/522303853.db2.gz SJTZEWQZERFILL-LBPRGKRZSA-N -1 1 282.409 2.925 20 0 CFADMM CC[C@@H]1CCC[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000077509332 523305091 /nfs/dbraw/zinc/30/50/91/523305091.db2.gz UCYBZZJSMQMMGR-NEPJUHHUSA-N -1 1 299.374 2.622 20 0 CFADMM CO[C@@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000334832837 523610296 /nfs/dbraw/zinc/61/02/96/523610296.db2.gz QEJNMLJNMHVLEF-MWLCHTKSSA-N -1 1 267.300 2.675 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@]12CCOC2 ZINC000422086420 534727450 /nfs/dbraw/zinc/72/74/50/534727450.db2.gz IAGRIIUSVMOXSM-KRWDZBQOSA-N -1 1 283.327 2.550 20 0 CFADMM COc1ccc(C)cc1CN=c1[n-]ncn1-c1ccccc1 ZINC000340700401 523812597 /nfs/dbraw/zinc/81/25/97/523812597.db2.gz IIJJZEVQTRDYOQ-UHFFFAOYSA-N -1 1 294.358 2.618 20 0 CFADMM CCc1cc(=O)[n-]c(SC2C[C@H](C)O[C@@H](C)C2)n1 ZINC000338561844 523836134 /nfs/dbraw/zinc/83/61/34/523836134.db2.gz AJIAHXAFTSPDKE-IUCAKERBSA-N -1 1 268.382 2.793 20 0 CFADMM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340809461 524167240 /nfs/dbraw/zinc/16/72/40/524167240.db2.gz AECFTPDZHXXJNS-KWQFWETISA-N -1 1 291.775 2.946 20 0 CFADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccoc2)c1 ZINC000336480023 524187326 /nfs/dbraw/zinc/18/73/26/524187326.db2.gz ZFZQWXIDFJMZFY-UHFFFAOYSA-N -1 1 287.724 2.742 20 0 CFADMM C[C@@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)[C@H]1c1ccccc1 ZINC000336436146 524755269 /nfs/dbraw/zinc/75/52/69/524755269.db2.gz IFOVTPDGAIVHOL-MLGOLLRUSA-N -1 1 295.338 2.795 20 0 CFADMM Cc1ccccc1-n1nccc1NC(=O)c1cncc([O-])c1 ZINC000339954087 525038043 /nfs/dbraw/zinc/03/80/43/525038043.db2.gz GXTZKVDDLSKKGY-UHFFFAOYSA-N -1 1 294.314 2.534 20 0 CFADMM Cc1ccccc1C1(CNC(=O)c2ncccc2[O-])CC1 ZINC000338772071 525081076 /nfs/dbraw/zinc/08/10/76/525081076.db2.gz YNMIMTKEQMFUEE-UHFFFAOYSA-N -1 1 282.343 2.557 20 0 CFADMM Cc1ccccc1C[C@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000339952080 525200579 /nfs/dbraw/zinc/20/05/79/525200579.db2.gz QZLARDMLPXEVQY-MRXNPFEDSA-N -1 1 296.370 2.943 20 0 CFADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])[C@@H]1CCCOC1 ZINC000334997006 525310355 /nfs/dbraw/zinc/31/03/55/525310355.db2.gz OLMBEDBGIGRJSA-NXEZZACHSA-N -1 1 283.755 2.591 20 0 CFADMM C[C@]1(c2ccccc2)CCN(C(=O)c2cncc([O-])c2)C1 ZINC000334388730 525325022 /nfs/dbraw/zinc/32/50/22/525325022.db2.gz QZQOABGTKHDXIN-KRWDZBQOSA-N -1 1 282.343 2.591 20 0 CFADMM C[C@]1(c2nc(-c3ccc([O-])c(F)c3)no2)CC1(F)F ZINC000335138220 525340208 /nfs/dbraw/zinc/34/02/08/525340208.db2.gz DXCPBFAWLOCDRK-LLVKDONJSA-N -1 1 270.210 2.878 20 0 CFADMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)C1CCCC1 ZINC000172165391 525508680 /nfs/dbraw/zinc/50/86/80/525508680.db2.gz SLNVVWYOSIPPHF-VIFPVBQESA-N -1 1 289.347 2.822 20 0 CFADMM Cc1ccoc1CN(C)C(=O)c1ccc([O-])cc1F ZINC000311865590 525796104 /nfs/dbraw/zinc/79/61/04/525796104.db2.gz VWXCKPAIQODERE-UHFFFAOYSA-N -1 1 263.268 2.705 20 0 CFADMM Cc1ccc([C@H](C)NC(=O)c2ncccc2[O-])cc1 ZINC000049560357 525914566 /nfs/dbraw/zinc/91/45/66/525914566.db2.gz BAHOPCUSYWUKDH-NSHDSACASA-N -1 1 256.305 2.587 20 0 CFADMM Cc1cnc(C(=O)N(C)Cc2ccccc2F)c([O-])c1 ZINC000336187841 525965933 /nfs/dbraw/zinc/96/59/33/525965933.db2.gz QFCBTLSKIZNVSE-UHFFFAOYSA-N -1 1 274.295 2.507 20 0 CFADMM O=C([O-])c1cccc(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000238225982 526391850 /nfs/dbraw/zinc/39/18/50/526391850.db2.gz XIJJGPGTLOBMCA-UHFFFAOYSA-N -1 1 281.271 2.513 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1C1CCOCC1 ZINC000336157639 526623403 /nfs/dbraw/zinc/62/34/03/526623403.db2.gz TZPFTVSRKSTNQX-CQSZACIVSA-N -1 1 293.338 2.563 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](F)C1 ZINC000334867278 526639998 /nfs/dbraw/zinc/63/99/98/526639998.db2.gz HHYBEBAHSSUWBR-LBPRGKRZSA-N -1 1 259.280 2.729 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](F)C1 ZINC000334867277 526640218 /nfs/dbraw/zinc/64/02/18/526640218.db2.gz HHYBEBAHSSUWBR-GFCCVEGCSA-N -1 1 259.280 2.729 20 0 CFADMM O=C(COc1ccccc1)Nc1ccc(F)cc1[O-] ZINC000340328213 526986114 /nfs/dbraw/zinc/98/61/14/526986114.db2.gz DSBJPSBQWMDBPB-UHFFFAOYSA-N -1 1 261.252 2.549 20 0 CFADMM CC(=O)c1[n-]c(=NCc2ccc(C)c(C)n2)sc1C ZINC000413395119 527156830 /nfs/dbraw/zinc/15/68/30/527156830.db2.gz CAMNFGJXNZHILQ-UHFFFAOYSA-N -1 1 275.377 2.700 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c[nH]c(C2CC2)n1 ZINC000334857355 527235689 /nfs/dbraw/zinc/23/56/89/527235689.db2.gz MNPWFRFGXHGLKM-UHFFFAOYSA-N -1 1 277.711 2.898 20 0 CFADMM O=c1cc(/C=C/c2ccc3ccccc3c2)nc2nc[n-]n21 ZINC000339955144 527473696 /nfs/dbraw/zinc/47/36/96/527473696.db2.gz AXJBKMWUJSIIAR-SOFGYWHQSA-N -1 1 288.310 2.741 20 0 CFADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1ccon1 ZINC000076993644 527532233 /nfs/dbraw/zinc/53/22/33/527532233.db2.gz OPJBPWHGXTURIJ-UHFFFAOYSA-N -1 1 278.318 2.507 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2cccnc2OC)n1 ZINC000176250706 528613260 /nfs/dbraw/zinc/61/32/60/528613260.db2.gz PIURFJHQOCZWGJ-UHFFFAOYSA-N -1 1 291.376 2.831 20 0 CFADMM CCCc1csc(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC000422639113 528668442 /nfs/dbraw/zinc/66/84/42/528668442.db2.gz WBCGVASXLDNXCQ-QWRGUYRKSA-N -1 1 282.409 2.638 20 0 CFADMM CC/C=C\CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000456111489 535258226 /nfs/dbraw/zinc/25/82/26/535258226.db2.gz YPFWRDPUPOVLFA-PLNGDYQASA-N -1 1 269.728 2.750 20 0 CFADMM CSc1cc(C)ccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001243386565 782176299 /nfs/dbraw/zinc/17/62/99/782176299.db2.gz KOKSZRIUVHQRSK-UHFFFAOYSA-N -1 1 283.360 2.959 20 0 CFADMM CSc1cc(C)ccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001243386565 782176308 /nfs/dbraw/zinc/17/63/08/782176308.db2.gz KOKSZRIUVHQRSK-UHFFFAOYSA-N -1 1 283.360 2.959 20 0 CFADMM CCc1noc(C)c1[N-]C(=O)c1cc(Cl)ncc1F ZINC000935078616 649872382 /nfs/dbraw/zinc/87/23/82/649872382.db2.gz QRXKSZUXCVSRLQ-UHFFFAOYSA-N -1 1 283.690 2.985 20 0 CFADMM CC(C)[C@H]1C[C@H](C(=O)Nc2c([O-])cccc2F)CCO1 ZINC000935098941 649875211 /nfs/dbraw/zinc/87/52/11/649875211.db2.gz GBOWMYQEPRJGSL-ZWNOBZJWSA-N -1 1 281.327 2.921 20 0 CFADMM O=C(C[C@@H]1CC[C@H](C2CC2)O1)Nc1ccc(F)cc1[O-] ZINC000935101126 649875413 /nfs/dbraw/zinc/87/54/13/649875413.db2.gz UXJCZHUMHUSQHI-SMDDNHRTSA-N -1 1 279.311 2.818 20 0 CFADMM CCc1onc(C)c1[N-]C(=O)c1cc(Cl)ncc1F ZINC000935120919 649877821 /nfs/dbraw/zinc/87/78/21/649877821.db2.gz NKPBVCGQAKCZMO-UHFFFAOYSA-N -1 1 283.690 2.985 20 0 CFADMM C[C@@H](CN(C)Cc1ncc(-c2ccccc2F)o1)C(=O)[O-] ZINC000736576851 574060846 /nfs/dbraw/zinc/06/08/46/574060846.db2.gz NLSDOGXPHWPLRX-JTQLQIEISA-N -1 1 292.310 2.633 20 0 CFADMM C[C@@H](Sc1nc(-c2ccc3c(c2)CCC3)n[nH]1)C(=O)[O-] ZINC000736716399 574067936 /nfs/dbraw/zinc/06/79/36/574067936.db2.gz LMOVGLKKAPTEDD-MRVPVSSYSA-N -1 1 289.360 2.526 20 0 CFADMM O=C(NC[C@@H](O)C1CCCCC1)c1c([O-])cccc1Cl ZINC000727859039 574068457 /nfs/dbraw/zinc/06/84/57/574068457.db2.gz LWELXNQSHTXDSW-CYBMUJFWSA-N -1 1 297.782 2.717 20 0 CFADMM CCCCC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744477474 574077036 /nfs/dbraw/zinc/07/70/36/574077036.db2.gz KEKDIFGEGPUCJU-UHFFFAOYSA-N -1 1 264.321 2.871 20 0 CFADMM CCC(C)(C)N(C)CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736858604 574081730 /nfs/dbraw/zinc/08/17/30/574081730.db2.gz APEJIRAWLDKNKW-UHFFFAOYSA-N -1 1 280.368 2.633 20 0 CFADMM C[C@H]1CSCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000754494614 574098393 /nfs/dbraw/zinc/09/83/93/574098393.db2.gz JSYWFTHWGYLEGN-SECBINFHSA-N -1 1 285.796 2.871 20 0 CFADMM Cc1nc(CN(CCC(=O)[O-])C(C)C)nc2ccccc12 ZINC000738855307 574110006 /nfs/dbraw/zinc/11/00/06/574110006.db2.gz RSZWXIPILWOONR-UHFFFAOYSA-N -1 1 287.363 2.623 20 0 CFADMM CCN1CCCC[C@H]1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000737114913 574113231 /nfs/dbraw/zinc/11/32/31/574113231.db2.gz MGVBIJMAVWKVGE-ZDUSSCGKSA-N -1 1 291.351 2.589 20 0 CFADMM CC[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@@H](C)O1 ZINC000732303029 574149561 /nfs/dbraw/zinc/14/95/61/574149561.db2.gz ZKHHEUZNMOVVSP-NXEZZACHSA-N -1 1 283.755 2.685 20 0 CFADMM c1csc([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)c1 ZINC000738413268 574167488 /nfs/dbraw/zinc/16/74/88/574167488.db2.gz RRQGAVNEBLXLLK-LLVKDONJSA-N -1 1 298.375 2.665 20 0 CFADMM c1csc([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)c1 ZINC000738413268 574167490 /nfs/dbraw/zinc/16/74/90/574167490.db2.gz RRQGAVNEBLXLLK-LLVKDONJSA-N -1 1 298.375 2.665 20 0 CFADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCCCCC1 ZINC000738437299 574169167 /nfs/dbraw/zinc/16/91/67/574169167.db2.gz NZEDSZRXONIYRX-UHFFFAOYSA-N -1 1 294.362 2.795 20 0 CFADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCCCCC1 ZINC000738437299 574169170 /nfs/dbraw/zinc/16/91/70/574169170.db2.gz NZEDSZRXONIYRX-UHFFFAOYSA-N -1 1 294.362 2.795 20 0 CFADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC1CCCCC1 ZINC000738438382 574169235 /nfs/dbraw/zinc/16/92/35/574169235.db2.gz ZWOFKTINOBHGFO-UHFFFAOYSA-N -1 1 295.350 2.555 20 0 CFADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC1CCCCC1 ZINC000738438382 574169237 /nfs/dbraw/zinc/16/92/37/574169237.db2.gz ZWOFKTINOBHGFO-UHFFFAOYSA-N -1 1 295.350 2.555 20 0 CFADMM CC(C)COc1ccccc1CN1CC[C@@H](NC(=O)[O-])C1 ZINC000738834609 574187072 /nfs/dbraw/zinc/18/70/72/574187072.db2.gz OZXGXOPEPKPWQS-CQSZACIVSA-N -1 1 292.379 2.563 20 0 CFADMM CC[C@H](NC[C@@H]1CCCN1C(=O)[O-])c1nc(C)cs1 ZINC000739274993 574204611 /nfs/dbraw/zinc/20/46/11/574204611.db2.gz YPOYOYGBOUMSRF-QWRGUYRKSA-N -1 1 283.397 2.635 20 0 CFADMM Cc1[nH]nc([N-]S(=O)(=O)C=Cc2ccc(C)cc2)c1C ZINC000747764286 574211270 /nfs/dbraw/zinc/21/12/70/574211270.db2.gz OPRDTOYOBRITAK-HJWRWDBZSA-N -1 1 291.376 2.748 20 0 CFADMM CCN(C[C@H]1CCCO1)C(=O)c1c([O-])cccc1Cl ZINC000747875567 574216269 /nfs/dbraw/zinc/21/62/69/574216269.db2.gz NXGMGLKFTISZHK-SNVBAGLBSA-N -1 1 283.755 2.687 20 0 CFADMM COC[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000733363859 574224370 /nfs/dbraw/zinc/22/43/70/574224370.db2.gz KYJBYWRKJKTPCY-JTQLQIEISA-N -1 1 283.755 2.544 20 0 CFADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2)nc1 ZINC000756333627 574226013 /nfs/dbraw/zinc/22/60/13/574226013.db2.gz ROYSSLVTQSOAOW-CQSZACIVSA-N -1 1 290.750 2.959 20 0 CFADMM O=C([O-])c1cccc(COC(=O)c2cccc3[nH]ncc32)c1 ZINC000740226796 574243637 /nfs/dbraw/zinc/24/36/37/574243637.db2.gz MIUSXPYWIKQKIL-UHFFFAOYSA-N -1 1 296.282 2.618 20 0 CFADMM Cc1ccc(C(=O)Nc2ccncc2[O-])cc1-n1cccc1 ZINC000748311838 574246812 /nfs/dbraw/zinc/24/68/12/574246812.db2.gz CXDOIMXPKFBZHJ-UHFFFAOYSA-N -1 1 293.326 2.561 20 0 CFADMM CCO[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)C12CCCCC2 ZINC000748338375 574247718 /nfs/dbraw/zinc/24/77/18/574247718.db2.gz HXRFEZSMODESQI-VHSXEESVSA-N -1 1 279.302 2.793 20 0 CFADMM Cc1cnc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)o1 ZINC000748378869 574249889 /nfs/dbraw/zinc/24/98/89/574249889.db2.gz OTJWXEYUIAQNGA-UHFFFAOYSA-N -1 1 284.237 2.530 20 0 CFADMM CC(C)C[C@@H](CCO)CNC(=O)c1c([O-])cccc1Cl ZINC000748392753 574250335 /nfs/dbraw/zinc/25/03/35/574250335.db2.gz ALLRKFUKOMMVQT-LLVKDONJSA-N -1 1 299.798 2.820 20 0 CFADMM O=C([O-])N1CCCC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000740518096 574253037 /nfs/dbraw/zinc/25/30/37/574253037.db2.gz IUYUJRZUJBTXNR-SECBINFHSA-N -1 1 272.732 2.555 20 0 CFADMM CCOC[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000733807239 574256856 /nfs/dbraw/zinc/25/68/56/574256856.db2.gz UYXCWYJUJPKHIL-LLVKDONJSA-N -1 1 297.782 2.934 20 0 CFADMM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc(O)cc1[O-] ZINC000748687205 574263015 /nfs/dbraw/zinc/26/30/15/574263015.db2.gz YZLUTSKQASCKGF-NSHDSACASA-N -1 1 299.326 2.834 20 0 CFADMM O=C([N-]Cc1cccc(F)n1)C(F)(F)c1ccc(F)cc1 ZINC000749092189 574279447 /nfs/dbraw/zinc/27/94/47/574279447.db2.gz NELPIZBFLGCORP-UHFFFAOYSA-N -1 1 298.239 2.768 20 0 CFADMM O=C([N-]C[C@H]1SCCc2ccccc21)C(F)(F)F ZINC000749482702 574297765 /nfs/dbraw/zinc/29/77/65/574297765.db2.gz SJHROHNWCCWICN-SNVBAGLBSA-N -1 1 275.295 2.696 20 0 CFADMM CC(C)[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000735750705 574335057 /nfs/dbraw/zinc/33/50/57/574335057.db2.gz SKSBKCWIXZXZAG-GFCCVEGCSA-N -1 1 286.383 2.524 20 0 CFADMM CC(C)[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000735750705 574335060 /nfs/dbraw/zinc/33/50/60/574335060.db2.gz SKSBKCWIXZXZAG-GFCCVEGCSA-N -1 1 286.383 2.524 20 0 CFADMM CCCCC[C@H](C)CC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000742688217 574339740 /nfs/dbraw/zinc/33/97/40/574339740.db2.gz TXOHXFYWHTXLJP-LBPRGKRZSA-N -1 1 293.415 2.692 20 0 CFADMM C[C@@H](c1ccc(F)cc1F)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739060292 574339802 /nfs/dbraw/zinc/33/98/02/574339802.db2.gz YAUCSQKNLIJOHB-WDEREUQCSA-N -1 1 298.333 2.958 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CCCS2)c1 ZINC000750892447 574359582 /nfs/dbraw/zinc/35/95/82/574359582.db2.gz URJUFNCAQOPVRO-CQSZACIVSA-N -1 1 294.372 2.576 20 0 CFADMM O=C(O[C@@H]1CCCCC1=O)c1cc(F)cc(Cl)c1[O-] ZINC000751732656 574381551 /nfs/dbraw/zinc/38/15/51/574381551.db2.gz SMUDPZORHVFLJH-LLVKDONJSA-N -1 1 286.686 2.853 20 0 CFADMM CC1(CNC(=O)c2c([O-])cccc2Cl)CCC1 ZINC000752816262 574395436 /nfs/dbraw/zinc/39/54/36/574395436.db2.gz RRSMGQYSANEQQM-UHFFFAOYSA-N -1 1 253.729 2.966 20 0 CFADMM Clc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000095147459 599392969 /nfs/dbraw/zinc/39/29/69/599392969.db2.gz ROXNKAWJINTGEU-UHFFFAOYSA-N -1 1 286.726 2.527 20 0 CFADMM Clc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000095147459 599392973 /nfs/dbraw/zinc/39/29/73/599392973.db2.gz ROXNKAWJINTGEU-UHFFFAOYSA-N -1 1 286.726 2.527 20 0 CFADMM Cc1ccc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)s1 ZINC000095324740 599415585 /nfs/dbraw/zinc/41/55/85/599415585.db2.gz SUYYRLNLJRQBIN-SECBINFHSA-N -1 1 286.364 2.805 20 0 CFADMM Cc1ccc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)s1 ZINC000095324740 599415587 /nfs/dbraw/zinc/41/55/87/599415587.db2.gz SUYYRLNLJRQBIN-SECBINFHSA-N -1 1 286.364 2.805 20 0 CFADMM CCCn1c2ccccc2nc1-c1ccc(-c2nnn[n-]2)o1 ZINC000821143488 599154804 /nfs/dbraw/zinc/15/48/04/599154804.db2.gz WDCFBTAYUWHHQA-UHFFFAOYSA-N -1 1 294.318 2.886 20 0 CFADMM CCCn1c2ccccc2nc1-c1ccc(-c2nn[n-]n2)o1 ZINC000821143488 599154807 /nfs/dbraw/zinc/15/48/07/599154807.db2.gz WDCFBTAYUWHHQA-UHFFFAOYSA-N -1 1 294.318 2.886 20 0 CFADMM O=C([O-])C1CCN(Cc2nc3ccccc3s2)CC1 ZINC000002548808 596923877 /nfs/dbraw/zinc/92/38/77/596923877.db2.gz LMEXETIORQVDGT-UHFFFAOYSA-N -1 1 276.361 2.593 20 0 CFADMM Cc1ccc(-c2nnc([C@@H](C)N(C)CCC(=O)[O-])o2)cc1 ZINC000818858770 597002435 /nfs/dbraw/zinc/00/24/35/597002435.db2.gz HAKVQVJQEACPMO-LLVKDONJSA-N -1 1 289.335 2.513 20 0 CFADMM Cc1cccc(-c2nnc([C@@H](C)N(C)CCC(=O)[O-])o2)c1 ZINC000818936055 597003848 /nfs/dbraw/zinc/00/38/48/597003848.db2.gz GQUOGXKPKAHYIB-LLVKDONJSA-N -1 1 289.335 2.513 20 0 CFADMM Cc1nc(CN2CCC[C@@H](CC(=O)[O-])C2)nc2ccccc12 ZINC000818994735 597072772 /nfs/dbraw/zinc/07/27/72/597072772.db2.gz RMDMJWWARNJGEK-ZDUSSCGKSA-N -1 1 299.374 2.625 20 0 CFADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1cncc(F)c1 ZINC000818053649 597244759 /nfs/dbraw/zinc/24/47/59/597244759.db2.gz RROWCNMQKFEFPJ-SNVBAGLBSA-N -1 1 274.295 2.770 20 0 CFADMM O=C(CCC1CCC1)Nc1nc(Cl)ccc1[O-] ZINC000191976266 618419388 /nfs/dbraw/zinc/41/93/88/618419388.db2.gz CGWXIFJDFIVKIC-UHFFFAOYSA-N -1 1 254.717 2.959 20 0 CFADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900118395 620638735 /nfs/dbraw/zinc/63/87/35/620638735.db2.gz GFWYPABHHOISMV-ZWNOBZJWSA-N -1 1 289.379 2.710 20 0 CFADMM CC(=O)c1ccc(O)c(NC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000819804991 597700833 /nfs/dbraw/zinc/70/08/33/597700833.db2.gz WODMIDJUQVQZGR-UHFFFAOYSA-N -1 1 299.282 2.545 20 0 CFADMM O=C([O-])CCCSc1nnc(CCC2CCCC2)[nH]1 ZINC000821525110 597752928 /nfs/dbraw/zinc/75/29/28/597752928.db2.gz OSKUSGKAYYYPQG-UHFFFAOYSA-N -1 1 283.397 2.884 20 0 CFADMM O=C([O-])CCCSc1nc(CCC2CCCC2)n[nH]1 ZINC000821525110 597752930 /nfs/dbraw/zinc/75/29/30/597752930.db2.gz OSKUSGKAYYYPQG-UHFFFAOYSA-N -1 1 283.397 2.884 20 0 CFADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000820148255 598192846 /nfs/dbraw/zinc/19/28/46/598192846.db2.gz MOVQYMWCPDZZSN-GFCCVEGCSA-N -1 1 298.342 2.502 20 0 CFADMM CC1(COC(=O)c2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC000824830851 607779960 /nfs/dbraw/zinc/77/99/60/607779960.db2.gz MHFAZSNNIUBJDG-UHFFFAOYSA-N -1 1 292.364 2.665 20 0 CFADMM CC1(COC(=O)c2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC000824830851 607779961 /nfs/dbraw/zinc/77/99/61/607779961.db2.gz MHFAZSNNIUBJDG-UHFFFAOYSA-N -1 1 292.364 2.665 20 0 CFADMM Cc1ccc2c(c1)[C@H](NCc1cccc(C(=O)[O-])c1)CO2 ZINC000821103843 598204811 /nfs/dbraw/zinc/20/48/11/598204811.db2.gz RTPODUBHXYHKBY-OAHLLOKOSA-N -1 1 283.327 2.917 20 0 CFADMM Cc1cccc2[nH]c(CNCc3cccc(C(=O)[O-])c3)nc21 ZINC000821116721 598205203 /nfs/dbraw/zinc/20/52/03/598205203.db2.gz JMNNCEOTWKMHGQ-UHFFFAOYSA-N -1 1 295.342 2.859 20 0 CFADMM Cc1cccc2nc(CNCc3cccc(C(=O)[O-])c3)[nH]c21 ZINC000821116721 598205205 /nfs/dbraw/zinc/20/52/05/598205205.db2.gz JMNNCEOTWKMHGQ-UHFFFAOYSA-N -1 1 295.342 2.859 20 0 CFADMM CC[C@](C)(NCc1cc(-c2ccc(C)cc2)no1)C(=O)[O-] ZINC000094228813 600563351 /nfs/dbraw/zinc/56/33/51/600563351.db2.gz SRDZWHPUMDSJHF-INIZCTEOSA-N -1 1 288.347 2.993 20 0 CFADMM Cc1ccc2nc(CN[C@H](C(=O)[O-])c3ccccc3)[nH]c2c1 ZINC000832959607 600695573 /nfs/dbraw/zinc/69/55/73/600695573.db2.gz XIWHBNPZPZAWKY-INIZCTEOSA-N -1 1 295.342 2.787 20 0 CFADMM CC(C)(C(=O)[O-])c1ccc(NC([O-])=[NH+]c2ccncc2)cc1 ZINC000826122691 600810594 /nfs/dbraw/zinc/81/05/94/600810594.db2.gz JWMPCDUSXROKMN-UHFFFAOYSA-N -1 1 299.330 2.510 20 0 CFADMM Cc1ccc([C@H](O)CN2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000832925163 600827629 /nfs/dbraw/zinc/82/76/29/600827629.db2.gz SBJUBFQASRYFGV-QGZVFWFLSA-N -1 1 297.354 2.742 20 0 CFADMM CN(Cc1cc(C(=O)[O-])co1)[C@H](CCO)c1ccccc1 ZINC000830806615 600840496 /nfs/dbraw/zinc/84/04/96/600840496.db2.gz SEIWLQWAFQQFAO-OAHLLOKOSA-N -1 1 289.331 2.533 20 0 CFADMM C/C(=C\CN1CCc2c(Cl)cccc2C1)C(=O)[O-] ZINC000825747855 601170752 /nfs/dbraw/zinc/17/07/52/601170752.db2.gz ZVCVWYKZWNEQTA-BJMVGYQFSA-N -1 1 265.740 2.729 20 0 CFADMM C/C(=C/CN1CCc2c(Cl)cccc2C1)C(=O)[O-] ZINC000825747856 601170838 /nfs/dbraw/zinc/17/08/38/601170838.db2.gz ZVCVWYKZWNEQTA-YHYXMXQVSA-N -1 1 265.740 2.729 20 0 CFADMM C/C(=C/CNC(C)(C)c1nc(C)c(C)s1)C(=O)[O-] ZINC000825746756 601179092 /nfs/dbraw/zinc/17/90/92/601179092.db2.gz LKGYRECOLBTYAU-VURMDHGXSA-N -1 1 268.382 2.616 20 0 CFADMM Cn1c2ccccc2nc1[C@@H]1CCCCN1CCC(=O)[O-] ZINC000821269395 601380773 /nfs/dbraw/zinc/38/07/73/601380773.db2.gz VBAQJWHAFMSPKR-AWEZNQCLSA-N -1 1 287.363 2.575 20 0 CFADMM O=C([O-])[C@@]1(F)CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000833174466 601441329 /nfs/dbraw/zinc/44/13/29/601441329.db2.gz GSKRIAMHFCDLJJ-GFCCVEGCSA-N -1 1 291.244 2.704 20 0 CFADMM Cc1cccc(C)c1OCCCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000832965318 601446100 /nfs/dbraw/zinc/44/61/00/601446100.db2.gz JOEJFGNLZJBVBE-INIZCTEOSA-N -1 1 295.354 2.571 20 0 CFADMM CCCCc1nc(CN2C[C@H](C(=O)[O-])[C@H](C)C2)cs1 ZINC000829439712 601525849 /nfs/dbraw/zinc/52/58/49/601525849.db2.gz CUCYDSDLVLMCCQ-PWSUYJOCSA-N -1 1 282.409 2.638 20 0 CFADMM C/C(=C\CN1CCC[C@@H]1c1nc2ccccc2n1C)C(=O)[O-] ZINC000825740993 601568050 /nfs/dbraw/zinc/56/80/50/601568050.db2.gz GEQJRHVKSHTPSS-SAAWKEMMSA-N -1 1 299.374 2.741 20 0 CFADMM Cc1sc(C(=O)[O-])cc1CN1CCSC[C@H]1C ZINC000155985801 601641224 /nfs/dbraw/zinc/64/12/24/601641224.db2.gz VUOUPSVPTDKAPN-MRVPVSSYSA-N -1 1 271.407 2.692 20 0 CFADMM CCCC[C@H](C(=O)[O-])N1CCN(c2cccs2)CC1 ZINC000829277080 601967865 /nfs/dbraw/zinc/96/78/65/601967865.db2.gz PWIPCFXRZLOYFP-GFCCVEGCSA-N -1 1 282.409 2.514 20 0 CFADMM CCCC[C@@H](C(=O)[O-])N1CCN(c2cccs2)CC1 ZINC000829277081 601967905 /nfs/dbraw/zinc/96/79/05/601967905.db2.gz PWIPCFXRZLOYFP-LBPRGKRZSA-N -1 1 282.409 2.514 20 0 CFADMM COc1ccccc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826221012 607543993 /nfs/dbraw/zinc/54/39/93/607543993.db2.gz KSROEZMBNAWZRA-UHFFFAOYSA-N -1 1 299.359 2.563 20 0 CFADMM COc1ccccc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826221012 607543995 /nfs/dbraw/zinc/54/39/95/607543995.db2.gz KSROEZMBNAWZRA-UHFFFAOYSA-N -1 1 299.359 2.563 20 0 CFADMM COc1cccc(SCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826217247 607544023 /nfs/dbraw/zinc/54/40/23/607544023.db2.gz DPJBVVOCRKMPPW-UHFFFAOYSA-N -1 1 299.359 2.563 20 0 CFADMM COc1cccc(SCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826217247 607544025 /nfs/dbraw/zinc/54/40/25/607544025.db2.gz DPJBVVOCRKMPPW-UHFFFAOYSA-N -1 1 299.359 2.563 20 0 CFADMM Clc1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000095144209 607544864 /nfs/dbraw/zinc/54/48/64/607544864.db2.gz AYBDDLUNYVQLQM-UHFFFAOYSA-N -1 1 286.726 2.527 20 0 CFADMM Clc1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000095144209 607544867 /nfs/dbraw/zinc/54/48/67/607544867.db2.gz AYBDDLUNYVQLQM-UHFFFAOYSA-N -1 1 286.726 2.527 20 0 CFADMM CSc1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826231211 607547996 /nfs/dbraw/zinc/54/79/96/607547996.db2.gz BSJPMBDTMHOJAA-UHFFFAOYSA-N -1 1 298.375 2.596 20 0 CFADMM CSc1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826231211 607547997 /nfs/dbraw/zinc/54/79/97/607547997.db2.gz BSJPMBDTMHOJAA-UHFFFAOYSA-N -1 1 298.375 2.596 20 0 CFADMM Cc1ccoc1CNC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830617165 603175709 /nfs/dbraw/zinc/17/57/09/603175709.db2.gz YQQQWARVDRYCLC-CYBMUJFWSA-N -1 1 274.320 2.687 20 0 CFADMM Cc1nc(CN2CCC([C@H](C)NC(=O)[O-])CC2)sc1C ZINC000830747108 603527305 /nfs/dbraw/zinc/52/73/05/603527305.db2.gz ZWYBOKNVKLHLFV-JTQLQIEISA-N -1 1 297.424 2.628 20 0 CFADMM C[C@@H]1CCC[C@H](CNC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900347627 620665386 /nfs/dbraw/zinc/66/53/86/620665386.db2.gz YMONUPBJISUPKM-MNOVXSKESA-N -1 1 289.379 2.616 20 0 CFADMM C[C@H]1CCC[C@@H](CNC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900347629 620665412 /nfs/dbraw/zinc/66/54/12/620665412.db2.gz YMONUPBJISUPKM-WDEREUQCSA-N -1 1 289.379 2.616 20 0 CFADMM O=C([O-])N[C@H]1CCCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000832366865 604092794 /nfs/dbraw/zinc/09/27/94/604092794.db2.gz ZGAIEAYAEOPTQW-GXTWGEPZSA-N -1 1 278.327 2.545 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccnc(Cl)c2)C1 ZINC000825273368 604164588 /nfs/dbraw/zinc/16/45/88/604164588.db2.gz PHCBGUQSGFWFIJ-PWSUYJOCSA-N -1 1 297.786 2.603 20 0 CFADMM CCCCCCN(C)CC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829357939 604314629 /nfs/dbraw/zinc/31/46/29/604314629.db2.gz VZUNNNSTSDPYNT-UHFFFAOYSA-N -1 1 298.408 2.897 20 0 CFADMM CC(C)(C(=O)[O-])[C@H](NC(=O)C(F)(F)F)c1ccccc1 ZINC000826080680 604386960 /nfs/dbraw/zinc/38/69/60/604386960.db2.gz FDVQBFRRUKKNHS-SECBINFHSA-N -1 1 289.253 2.517 20 0 CFADMM C[C@@H](NC(=O)[O-])c1ccc(CNCc2ccco2)cc1 ZINC000825401407 604414710 /nfs/dbraw/zinc/41/47/10/604414710.db2.gz CZHYQCPEFKMQFC-LLVKDONJSA-N -1 1 274.320 2.898 20 0 CFADMM C[C@H]1C[C@@H]1c1ccc(CN(C)C(C)(C)C(=O)[O-])o1 ZINC000086762269 604626834 /nfs/dbraw/zinc/62/68/34/604626834.db2.gz AZDQSORCBDYFJW-ONGXEEELSA-N -1 1 251.326 2.698 20 0 CFADMM C[C@H](C(=O)Nc1cc(C(=O)[O-])cs1)N1[C@H](C)CC[C@@H]1C ZINC000828214981 604705757 /nfs/dbraw/zinc/70/57/57/604705757.db2.gz XDGORPOFQSNRHQ-KXUCPTDWSA-N -1 1 296.392 2.646 20 0 CFADMM Cc1nc([C@H](C)N[C@H]2CCCN(C(=O)[O-])C2)c(C)s1 ZINC000832994278 604792858 /nfs/dbraw/zinc/79/28/58/604792858.db2.gz OZOJWIHSPCZSJY-KWQFWETISA-N -1 1 283.397 2.553 20 0 CFADMM CC(C)c1cnc(CN[C@@]2(C)CCCC[C@H]2C(=O)[O-])o1 ZINC000833511301 604818630 /nfs/dbraw/zinc/81/86/30/604818630.db2.gz KXQFQNHNRCBXQZ-NHYWBVRUSA-N -1 1 280.368 2.921 20 0 CFADMM C[C@H](NCCNC(=O)[O-])c1cc(Cl)sc1Cl ZINC000825495105 604910872 /nfs/dbraw/zinc/91/08/72/604910872.db2.gz ASGZCHIHIZBCAM-YFKPBYRVSA-N -1 1 283.180 2.973 20 0 CFADMM C[C@H](c1ccc(Cl)cc1)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833547117 604980364 /nfs/dbraw/zinc/98/03/64/604980364.db2.gz ANRZTLVBWOMYJZ-YGRLFVJLSA-N -1 1 297.782 2.559 20 0 CFADMM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(F)c(F)c1 ZINC000827718529 604986092 /nfs/dbraw/zinc/98/60/92/604986092.db2.gz UYRQTOFULUTLMJ-OTYXRUKQSA-N -1 1 292.285 2.836 20 0 CFADMM CC(C)COc1ccc([C@@H](C)NC2CN(C(=O)[O-])C2)cc1 ZINC000833490823 605003548 /nfs/dbraw/zinc/00/35/48/605003548.db2.gz WVHDHRMBHDFTPD-GFCCVEGCSA-N -1 1 292.379 2.734 20 0 CFADMM C/C(=C/CN[C@@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000833385741 605066036 /nfs/dbraw/zinc/06/60/36/605066036.db2.gz XJBAJGDRLNAAIY-XZLDQRQTSA-N -1 1 255.264 2.646 20 0 CFADMM C/C(=C/CN1CC[C@H](Oc2ccccc2Cl)C1)C(=O)[O-] ZINC000833383003 605087115 /nfs/dbraw/zinc/08/71/15/605087115.db2.gz MGAQRORGGANIHX-DSDFTUOUSA-N -1 1 295.766 2.824 20 0 CFADMM c1cc2cccc(Nc3nccnc3-c3nnn[n-]3)c2s1 ZINC000826517981 607737967 /nfs/dbraw/zinc/73/79/67/607737967.db2.gz XEJDXHNSQMDXIF-UHFFFAOYSA-N -1 1 295.331 2.615 20 0 CFADMM c1cc2cccc(Nc3nccnc3-c3nn[n-]n3)c2s1 ZINC000826517981 607737968 /nfs/dbraw/zinc/73/79/68/607737968.db2.gz XEJDXHNSQMDXIF-UHFFFAOYSA-N -1 1 295.331 2.615 20 0 CFADMM C/C(=C\CN[C@H](C)c1cccc(F)c1F)C(=O)[O-] ZINC000833385346 605184870 /nfs/dbraw/zinc/18/48/70/605184870.db2.gz SBYMFHOKUHKGSO-BNICOGTQSA-N -1 1 255.264 2.646 20 0 CFADMM CC1=C(C(=O)[O-])C[C@@H](CN[C@H](C)c2c(F)cccc2F)O1 ZINC000833578285 605382311 /nfs/dbraw/zinc/38/23/11/605382311.db2.gz KATVDCBFHWYCOW-SCZZXKLOSA-N -1 1 297.301 2.763 20 0 CFADMM CCc1ncc(CN2CCCC[C@H]2[C@H](C)NC(=O)[O-])s1 ZINC000833866232 605509408 /nfs/dbraw/zinc/50/94/08/605509408.db2.gz JQGXSIMOKODRDA-JQWIXIFHSA-N -1 1 297.424 2.716 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000833816562 605598568 /nfs/dbraw/zinc/59/85/68/605598568.db2.gz ZTUUVAZETCWSJO-ZYHUDNBSSA-N -1 1 298.333 2.833 20 0 CFADMM CN(Cc1cc(C(=O)[O-])ccc1F)C[C@H]1CCCCO1 ZINC000062753724 605829099 /nfs/dbraw/zinc/82/90/99/605829099.db2.gz NTHGZCJGRKVOGI-CYBMUJFWSA-N -1 1 281.327 2.525 20 0 CFADMM CC(C)CO[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000833490254 605837731 /nfs/dbraw/zinc/83/77/31/605837731.db2.gz RFIHVQHYLDHTTI-CQSZACIVSA-N -1 1 295.354 2.771 20 0 CFADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1Cc1ccc(Cl)s1 ZINC000833834307 605897630 /nfs/dbraw/zinc/89/76/30/605897630.db2.gz NBUDNFOSCMLNNU-BDAKNGLRSA-N -1 1 288.800 2.880 20 0 CFADMM C[C@H](CCNCc1csc(C(C)(C)C)n1)NC(=O)[O-] ZINC000833805568 606008831 /nfs/dbraw/zinc/00/88/31/606008831.db2.gz QZCDWEHCCBTQKT-SECBINFHSA-N -1 1 285.413 2.576 20 0 CFADMM O=C([O-])N1CC[C@@H](N[C@H](c2ccccc2)c2ccncc2)C1 ZINC000834081088 606009377 /nfs/dbraw/zinc/00/93/77/606009377.db2.gz APWIOPQJTAICGJ-HZPDHXFCSA-N -1 1 297.358 2.513 20 0 CFADMM Cc1ccc([C@H](C)N(C)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000822229148 606455652 /nfs/dbraw/zinc/45/56/52/606455652.db2.gz NVNBXBWTAJTZBN-LBPRGKRZSA-N -1 1 294.362 2.768 20 0 CFADMM Cc1ccc([C@H](C)N(C)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000822229148 606455653 /nfs/dbraw/zinc/45/56/53/606455653.db2.gz NVNBXBWTAJTZBN-LBPRGKRZSA-N -1 1 294.362 2.768 20 0 CFADMM C[C@H](c1ccccc1F)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000820569902 606456940 /nfs/dbraw/zinc/45/69/40/606456940.db2.gz AHKVERIJAOAXAZ-SNVBAGLBSA-N -1 1 298.325 2.598 20 0 CFADMM C[C@H](c1ccccc1F)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000820569902 606456941 /nfs/dbraw/zinc/45/69/41/606456941.db2.gz AHKVERIJAOAXAZ-SNVBAGLBSA-N -1 1 298.325 2.598 20 0 CFADMM C[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H]1C ZINC000820710372 606467902 /nfs/dbraw/zinc/46/79/02/606467902.db2.gz PXZOEDBKJYSLRZ-BDAKNGLRSA-N -1 1 292.774 2.540 20 0 CFADMM C[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H]1C ZINC000820710372 606467903 /nfs/dbraw/zinc/46/79/03/606467903.db2.gz PXZOEDBKJYSLRZ-BDAKNGLRSA-N -1 1 292.774 2.540 20 0 CFADMM CC[C@@H]1CCC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820978673 606807572 /nfs/dbraw/zinc/80/75/72/606807572.db2.gz CCHBBFQGOPRZKD-RQJHMYQMSA-N -1 1 298.803 2.967 20 0 CFADMM CC[C@@H]1CCC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820978673 606807574 /nfs/dbraw/zinc/80/75/74/606807574.db2.gz CCHBBFQGOPRZKD-RQJHMYQMSA-N -1 1 298.803 2.967 20 0 CFADMM CCC[C@@H](CC)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821014309 607091833 /nfs/dbraw/zinc/09/18/33/607091833.db2.gz DNXCUCZWZVYBHK-MRVPVSSYSA-N -1 1 280.353 2.664 20 0 CFADMM CCC[C@@H](CC)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821014309 607091834 /nfs/dbraw/zinc/09/18/34/607091834.db2.gz DNXCUCZWZVYBHK-MRVPVSSYSA-N -1 1 280.353 2.664 20 0 CFADMM CC(C)CC(C)(C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000824229153 607901606 /nfs/dbraw/zinc/90/16/06/607901606.db2.gz ONCQHBOGVSGGAF-UHFFFAOYSA-N -1 1 274.372 2.746 20 0 CFADMM CC(C)CC(C)(C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000824229153 607901607 /nfs/dbraw/zinc/90/16/07/607901607.db2.gz ONCQHBOGVSGGAF-UHFFFAOYSA-N -1 1 274.372 2.746 20 0 CFADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C1CCC1 ZINC000824671126 607903611 /nfs/dbraw/zinc/90/36/11/607903611.db2.gz XNSAJLNGMPUCPD-YFKPBYRVSA-N -1 1 284.776 2.577 20 0 CFADMM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C1CCC1 ZINC000824671126 607903612 /nfs/dbraw/zinc/90/36/12/607903612.db2.gz XNSAJLNGMPUCPD-YFKPBYRVSA-N -1 1 284.776 2.577 20 0 CFADMM c1cc(Nc2ccc(C3CC3)cc2)nc(-c2nnn[n-]2)c1 ZINC000826517217 608236836 /nfs/dbraw/zinc/23/68/36/608236836.db2.gz VJMQRJZGLIQKDF-UHFFFAOYSA-N -1 1 278.319 2.883 20 0 CFADMM c1cc(Nc2ccc(C3CC3)cc2)nc(-c2nn[n-]n2)c1 ZINC000826517217 608236838 /nfs/dbraw/zinc/23/68/38/608236838.db2.gz VJMQRJZGLIQKDF-UHFFFAOYSA-N -1 1 278.319 2.883 20 0 CFADMM CCC(CC)CCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825106365 608275971 /nfs/dbraw/zinc/27/59/71/608275971.db2.gz AUVQFUJWGFJAKA-UHFFFAOYSA-N -1 1 294.380 2.911 20 0 CFADMM CCC(CC)CCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825106365 608275973 /nfs/dbraw/zinc/27/59/73/608275973.db2.gz AUVQFUJWGFJAKA-UHFFFAOYSA-N -1 1 294.380 2.911 20 0 CFADMM Fc1cccc([C@H]2CCN2Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000826376364 608736454 /nfs/dbraw/zinc/73/64/54/608736454.db2.gz ACCSCRUCNXVJBV-CYBMUJFWSA-N -1 1 299.309 2.546 20 0 CFADMM C[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)o2)c2ccccc21 ZINC000824956224 609173283 /nfs/dbraw/zinc/17/32/83/609173283.db2.gz RARJDYGXSAJQOK-LLVKDONJSA-N -1 1 295.346 2.974 20 0 CFADMM C[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)o2)c2ccccc21 ZINC000824956224 609173285 /nfs/dbraw/zinc/17/32/85/609173285.db2.gz RARJDYGXSAJQOK-LLVKDONJSA-N -1 1 295.346 2.974 20 0 CFADMM Cc1ccccc1[C@@H](C)C(=O)[N-]OC/C=C\Cl ZINC000936058546 649981375 /nfs/dbraw/zinc/98/13/75/649981375.db2.gz IZPKBJNVVBSFDN-UIJKISKDSA-N -1 1 253.729 2.899 20 0 CFADMM CC[C@H](C(=O)Nc1cc(F)c([O-])cc1Cl)[C@H](C)O ZINC000900718883 620704607 /nfs/dbraw/zinc/70/46/07/620704607.db2.gz TWZPWORCSZNFST-BQBZGAKWSA-N -1 1 275.707 2.530 20 0 CFADMM CCC(C)(C)OCCNCc1cc(C(=O)[O-])c(C)o1 ZINC000308594573 617704255 /nfs/dbraw/zinc/70/42/55/617704255.db2.gz XRMJOTMOJVDMRY-UHFFFAOYSA-N -1 1 269.341 2.581 20 0 CFADMM CC(C)[C@H]1CCCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900745243 620709402 /nfs/dbraw/zinc/70/94/02/620709402.db2.gz KGLPNVSUESDLTM-CYBMUJFWSA-N -1 1 289.379 2.710 20 0 CFADMM CC1(C)CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000900787906 620713823 /nfs/dbraw/zinc/71/38/23/620713823.db2.gz PMQBUCSJHXSDCN-UHFFFAOYSA-N -1 1 271.316 2.876 20 0 CFADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@]12C[C@H]1CCCC2 ZINC000891613001 617686364 /nfs/dbraw/zinc/68/63/64/617686364.db2.gz FWLQQUIASMLPGS-QLJPJBMISA-N -1 1 287.363 2.580 20 0 CFADMM Cc1coc(C)c1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891617206 617687014 /nfs/dbraw/zinc/68/70/14/617687014.db2.gz DPIBLIFPELHUEW-UHFFFAOYSA-N -1 1 287.319 2.523 20 0 CFADMM CCCC1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CC1 ZINC000891622550 617689527 /nfs/dbraw/zinc/68/95/27/617689527.db2.gz PPGWRMPWHRMWAK-UHFFFAOYSA-N -1 1 275.352 2.580 20 0 CFADMM Cc1cccc(C)c1CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901106830 620755280 /nfs/dbraw/zinc/75/52/80/620755280.db2.gz RPDHCIRXVQZOIS-UHFFFAOYSA-N -1 1 297.358 2.606 20 0 CFADMM C[C@@H]1CC=CC[C@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000890766600 617854418 /nfs/dbraw/zinc/85/44/18/617854418.db2.gz HFDHQEONWMPDLT-PSASIEDQSA-N -1 1 267.275 2.755 20 0 CFADMM COc1ccc(C(=O)N2CCc3cc(C)ccc32)c([O-])c1 ZINC000091103788 617908874 /nfs/dbraw/zinc/90/88/74/617908874.db2.gz MFMYCNNCTLXTAA-UHFFFAOYSA-N -1 1 283.327 2.912 20 0 CFADMM O=C(CC(F)(F)C(F)F)Nc1c([O-])cccc1F ZINC000901221345 620772760 /nfs/dbraw/zinc/77/27/60/620772760.db2.gz ICSZBCYSLQBLEJ-UHFFFAOYSA-N -1 1 269.169 2.760 20 0 CFADMM Cc1oc(CN[C@@H](C)CC(F)(F)F)cc1C(=O)[O-] ZINC000235175761 618173600 /nfs/dbraw/zinc/17/36/00/618173600.db2.gz JXUCPNAJHKSHPV-LURJTMIESA-N -1 1 265.231 2.717 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccsc1 ZINC000188351110 618301890 /nfs/dbraw/zinc/30/18/90/618301890.db2.gz XSCVUEULXAQDDF-UHFFFAOYSA-N -1 1 254.698 2.754 20 0 CFADMM COCc1nc(N2CCC[C@]2(C)c2ccccc2)cc(=O)[n-]1 ZINC000895146156 618382804 /nfs/dbraw/zinc/38/28/04/618382804.db2.gz CKFOCRAWIYJSQW-QGZVFWFLSA-N -1 1 299.374 2.844 20 0 CFADMM Cc1ccc(CNCc2cc(C(=O)[O-])c(C)o2)s1 ZINC000235883737 618457550 /nfs/dbraw/zinc/45/75/50/618457550.db2.gz SMLGSQJXDWJVTI-UHFFFAOYSA-N -1 1 265.334 2.946 20 0 CFADMM Cc1oc(CNCCOC2CCCCC2)cc1C(=O)[O-] ZINC000235973196 618467018 /nfs/dbraw/zinc/46/70/18/618467018.db2.gz NBDWSWNLBJUPTN-UHFFFAOYSA-N -1 1 281.352 2.725 20 0 CFADMM C[C@@H]1[C@@H](C)CCN1C(=O)NCCc1c(F)cc([O-])cc1F ZINC000927783025 618471456 /nfs/dbraw/zinc/47/14/56/618471456.db2.gz TZPWZHIVPCVTSH-VHSXEESVSA-N -1 1 298.333 2.653 20 0 CFADMM O=C([O-])c1cc(CN2CCC[C@H]2c2ccccc2)on1 ZINC000901417575 620812582 /nfs/dbraw/zinc/81/25/82/620812582.db2.gz LIZFUJUFGMKWHS-AWEZNQCLSA-N -1 1 272.304 2.710 20 0 CFADMM Cc1cc(C)c(CC(=O)[N-]OCc2ccccn2)s1 ZINC000909518606 618547126 /nfs/dbraw/zinc/54/71/26/618547126.db2.gz CIBGAHFPDDWUKJ-UHFFFAOYSA-N -1 1 276.361 2.550 20 0 CFADMM O=C([O-])c1cccc(CN2CCCc3ccccc3C2)n1 ZINC000236489092 618625859 /nfs/dbraw/zinc/62/58/59/618625859.db2.gz JMMPVWMXNTXKSK-UHFFFAOYSA-N -1 1 282.343 2.728 20 0 CFADMM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1ccccn1 ZINC000178182628 618632660 /nfs/dbraw/zinc/63/26/60/618632660.db2.gz QYTWCBFFYUOXAV-CSKARUKUSA-N -1 1 278.308 2.633 20 0 CFADMM COCc1nc(N2CC=C(C(C)(C)C)CC2)cc(=O)[n-]1 ZINC000893003496 618798935 /nfs/dbraw/zinc/79/89/35/618798935.db2.gz KYGLMMFCWWINCH-UHFFFAOYSA-N -1 1 277.368 2.511 20 0 CFADMM COCc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000194250166 618933651 /nfs/dbraw/zinc/93/36/51/618933651.db2.gz CQFOFZBLZFZHSM-UHFFFAOYSA-N -1 1 291.372 2.942 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccncc1Cl ZINC000194578590 618937836 /nfs/dbraw/zinc/93/78/36/618937836.db2.gz LSJLUDOCZOYFHA-UHFFFAOYSA-N -1 1 284.102 2.741 20 0 CFADMM CCC(CC)NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932038911 619183964 /nfs/dbraw/zinc/18/39/64/619183964.db2.gz OVCWBYPAPLGAGR-UHFFFAOYSA-N -1 1 288.351 2.888 20 0 CFADMM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccsc1 ZINC000235207909 619190550 /nfs/dbraw/zinc/19/05/50/619190550.db2.gz GSRSGILMZLZNOC-RXMQYKEDSA-N -1 1 255.236 2.826 20 0 CFADMM COCc1nc(NCc2cc(C)cc(C)c2)cc(=O)[n-]1 ZINC000894535198 619412508 /nfs/dbraw/zinc/41/25/08/619412508.db2.gz AAXGKHGKCJDZJV-UHFFFAOYSA-N -1 1 273.336 2.558 20 0 CFADMM N#CCCn1cc(C=C2SC(=O)[N-]C2=O)c2ccccc21 ZINC000007154881 619480529 /nfs/dbraw/zinc/48/05/29/619480529.db2.gz MZSDPISJMXIVQI-MDWZMJQESA-N -1 1 297.339 2.879 20 0 CFADMM CC(C)c1noc([N-][C@H]2c3ccccc3CC[C@H]2O)n1 ZINC000896672249 619785661 /nfs/dbraw/zinc/78/56/61/619785661.db2.gz QTPAVOJPQOXYFS-OLZOCXBDSA-N -1 1 273.336 2.653 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@@H]2CCC[C@H](C)[C@@H]2C)[n-]1 ZINC000797048536 619960579 /nfs/dbraw/zinc/96/05/79/619960579.db2.gz IPHJWJUDVXONFI-OUJBWJOFSA-N -1 1 279.336 2.783 20 0 CFADMM CC=C(C=CC(=O)Nc1cc(C(=O)OC(C)C)[nH]n1)CC ZINC000888117633 620121314 /nfs/dbraw/zinc/12/13/14/620121314.db2.gz QITUFOZXYYWZQJ-LTCQKBRTSA-N -1 1 291.351 2.826 20 0 CFADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(F)c(F)c(F)c1 ZINC000263521043 620153857 /nfs/dbraw/zinc/15/38/57/620153857.db2.gz RADSWAOHLNEKTG-SCZZXKLOSA-N -1 1 287.281 2.789 20 0 CFADMM Cc1[nH]nc([N-]S(=O)(=O)C=Cc2ccc(F)cc2)c1C ZINC000263633414 620196954 /nfs/dbraw/zinc/19/69/54/620196954.db2.gz OOISPNDZCKPFAM-FPLPWBNLSA-N -1 1 295.339 2.578 20 0 CFADMM O=C(NOC1CCCCC1)c1ncc2ccccc2c1[O-] ZINC000832552874 625410451 /nfs/dbraw/zinc/41/04/51/625410451.db2.gz INWBSMLFVRGPDQ-UHFFFAOYSA-N -1 1 286.331 2.935 20 0 CFADMM CC(C)(C)CC(=O)[N-]O[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000842061424 620453106 /nfs/dbraw/zinc/45/31/06/620453106.db2.gz KTZHYVYGXCZJNX-GFCCVEGCSA-N -1 1 298.427 2.508 20 0 CFADMM C[C@@H]1CCc2[nH]nc(C(=O)Nc3cccc(F)c3[O-])c2C1 ZINC000899140596 620524198 /nfs/dbraw/zinc/52/41/98/620524198.db2.gz BPZPYUMUHRSKHE-MRVPVSSYSA-N -1 1 289.310 2.632 20 0 CFADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCOC2(CCC2)C1 ZINC000899141023 620524547 /nfs/dbraw/zinc/52/45/47/620524547.db2.gz FWAQKDPWTLEFIS-SNVBAGLBSA-N -1 1 279.311 2.819 20 0 CFADMM CC[C@@H]([N-]c1nnc(-c2ncon2)o1)c1cccs1 ZINC000899245990 620537147 /nfs/dbraw/zinc/53/71/47/620537147.db2.gz AXDZZBFUHIISTK-SSDOTTSWSA-N -1 1 277.309 2.744 20 0 CFADMM CC[C@H]([N-]c1nnc(-c2ncon2)o1)c1cccs1 ZINC000899245991 620537239 /nfs/dbraw/zinc/53/72/39/620537239.db2.gz AXDZZBFUHIISTK-ZETCQYMHSA-N -1 1 277.309 2.744 20 0 CFADMM C[C@@H]1C[C@@H](n2[n-]c3c(c2=O)CCC(C)(C)C3)C[C@H](C)O1 ZINC000899361538 620552659 /nfs/dbraw/zinc/55/26/59/620552659.db2.gz WRJOYBJBYJAZCN-RNJOBUHISA-N -1 1 278.396 2.967 20 0 CFADMM C[C@@H]1CC(n2[n-]c3c(c2=O)CCC(C)(C)C3)C[C@@H](C)O1 ZINC000899361539 620552822 /nfs/dbraw/zinc/55/28/22/620552822.db2.gz WRJOYBJBYJAZCN-WZRBSPASSA-N -1 1 278.396 2.967 20 0 CFADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000899399056 620559719 /nfs/dbraw/zinc/55/97/19/620559719.db2.gz CGLALCZDLCLFPV-IXOXFDKPSA-N -1 1 293.794 2.996 20 0 CFADMM O=C(c1ccc([O-])cc1F)N(CC(F)F)C1CCC1 ZINC000899785666 620599542 /nfs/dbraw/zinc/59/95/42/620599542.db2.gz GTYWLXPBXYSKRM-UHFFFAOYSA-N -1 1 273.254 2.791 20 0 CFADMM COc1ccc(C)cc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000899929603 620614872 /nfs/dbraw/zinc/61/48/72/620614872.db2.gz MRJUPWJJDQUAIF-UHFFFAOYSA-N -1 1 299.330 2.629 20 0 CFADMM Cc1cc(F)ncc1CN[C@@H](CC(=O)[O-])c1ccsc1 ZINC000900022923 620624644 /nfs/dbraw/zinc/62/46/44/620624644.db2.gz RBKLHZAGDNKQDH-LBPRGKRZSA-N -1 1 294.351 2.896 20 0 CFADMM Cc1cc(CNCc2ccnn2C2CCC2)ccc1C(=O)[O-] ZINC000900041530 620627609 /nfs/dbraw/zinc/62/76/09/620627609.db2.gz QAZNDGXNFJXPIX-UHFFFAOYSA-N -1 1 299.374 2.905 20 0 CFADMM CC(C)CC[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900077358 620632551 /nfs/dbraw/zinc/63/25/51/620632551.db2.gz ZHUKHZLWOSJSEI-SNVBAGLBSA-N -1 1 277.368 2.614 20 0 CFADMM CO[C@@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC[C@@H]1C ZINC000901460031 620829757 /nfs/dbraw/zinc/82/97/57/620829757.db2.gz PVGSVYNURQZDDV-IINYFYTJSA-N -1 1 297.782 2.895 20 0 CFADMM COc1cc(C)ccc1CNCc1ccc(CC(=O)[O-])cc1 ZINC000901541098 620851384 /nfs/dbraw/zinc/85/13/84/620851384.db2.gz ZYZRJOCRCRIGMB-UHFFFAOYSA-N -1 1 299.370 2.921 20 0 CFADMM Cc1nc(SCC(=O)[C@@H]2C[C@@H]2C)[n-]c(=O)c1C1CC1 ZINC000901588710 620863604 /nfs/dbraw/zinc/86/36/04/620863604.db2.gz UQMSXWVLFDAFTP-OIBJUYFYSA-N -1 1 278.377 2.685 20 0 CFADMM CC[C@@H](C)[C@H](CN(CC(=O)[O-])Cc1ccccc1)OC ZINC000901569629 620865997 /nfs/dbraw/zinc/86/59/97/620865997.db2.gz LPCTXYBLTMTYMH-HIFRSBDPSA-N -1 1 279.380 2.634 20 0 CFADMM CO[C@H](CN[C@@H](C(=O)[O-])c1cccs1)C1CCCC1 ZINC000901597453 620870624 /nfs/dbraw/zinc/87/06/24/620870624.db2.gz HZFVKQRXHRFABD-DGCLKSJQSA-N -1 1 283.393 2.669 20 0 CFADMM CO[C@@H](CN[C@H](C(=O)[O-])c1cccs1)CC(C)C ZINC000901598260 620870756 /nfs/dbraw/zinc/87/07/56/620870756.db2.gz LSCIMVBUOVPSPI-PWSUYJOCSA-N -1 1 271.382 2.525 20 0 CFADMM O=C([O-])CC[C@H](NCc1nccs1)c1ccccc1 ZINC000901653504 620883574 /nfs/dbraw/zinc/88/35/74/620883574.db2.gz WHQMNFFFSJLIHN-LBPRGKRZSA-N -1 1 276.361 2.839 20 0 CFADMM CCc1ccc(CN[C@H](C[C@@H](C)CC)C(=O)[O-])o1 ZINC000901672008 620889063 /nfs/dbraw/zinc/88/90/63/620889063.db2.gz IIBCUOXYUMZRPH-GXFFZTMASA-N -1 1 253.342 2.821 20 0 CFADMM CCCC[C@H](NCc1cc2cccnc2o1)C(=O)[O-] ZINC000901711356 620904278 /nfs/dbraw/zinc/90/42/78/620904278.db2.gz SHHTXDGPTNMNFD-LBPRGKRZSA-N -1 1 262.309 2.561 20 0 CFADMM O=C([O-])c1cnc(C2CCN(CC3(F)CC3)CC2)s1 ZINC000901935051 620939280 /nfs/dbraw/zinc/93/92/80/620939280.db2.gz URCVJEZBQMTCGU-UHFFFAOYSA-N -1 1 284.356 2.523 20 0 CFADMM Cc1cc(CNCc2ccccc2N(C)C)oc1C(=O)[O-] ZINC000901942258 620940959 /nfs/dbraw/zinc/94/09/59/620940959.db2.gz IHQBFDVPZZVGMU-UHFFFAOYSA-N -1 1 288.347 2.642 20 0 CFADMM CC(C)c1ccc(CCN2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000902003115 620955127 /nfs/dbraw/zinc/95/51/27/620955127.db2.gz FEPJJTRDEUZSJI-MRXNPFEDSA-N -1 1 291.391 2.528 20 0 CFADMM C[C@H]1CCN(Cc2scnc2C2CC2)[C@@H](C(=O)[O-])C1 ZINC000902013092 620958119 /nfs/dbraw/zinc/95/81/19/620958119.db2.gz UCHXMUNWRUPVEV-GXSJLCMTSA-N -1 1 280.393 2.706 20 0 CFADMM O=C([O-])[C@H]1CCCCCN1Cc1cnc(C2CC2)s1 ZINC000902036599 620960928 /nfs/dbraw/zinc/96/09/28/620960928.db2.gz WNGYOPXJLZLXSZ-GFCCVEGCSA-N -1 1 280.393 2.850 20 0 CFADMM O=C([O-])[C@H]1CCCCCN1Cc1cc2cccnc2o1 ZINC000902033461 620967048 /nfs/dbraw/zinc/96/70/48/620967048.db2.gz FBKGONXANHPRFS-CYBMUJFWSA-N -1 1 274.320 2.657 20 0 CFADMM COCc1ccc(CNCc2cc(C(=O)[O-])oc2C)cc1 ZINC000902112559 620981141 /nfs/dbraw/zinc/98/11/41/620981141.db2.gz WRVKVIQXCVNVKK-UHFFFAOYSA-N -1 1 289.331 2.722 20 0 CFADMM Cc1cc(CNCCO[C@@H]2CCCC[C@H]2C)oc1C(=O)[O-] ZINC000902119990 620982360 /nfs/dbraw/zinc/98/23/60/620982360.db2.gz CLQIFSBOEAGQKM-BXUZGUMPSA-N -1 1 295.379 2.971 20 0 CFADMM Cc1noc([C@H](C)N[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)n1 ZINC000902200761 620997197 /nfs/dbraw/zinc/99/71/97/620997197.db2.gz PLQLJSVAAXDPMK-CYZMBNFOSA-N -1 1 295.383 2.842 20 0 CFADMM COCc1csc(CNCc2cc(C(=O)[O-])oc2C)c1 ZINC000902261369 621009067 /nfs/dbraw/zinc/00/90/67/621009067.db2.gz IKWDNCZEAVIOEX-UHFFFAOYSA-N -1 1 295.360 2.784 20 0 CFADMM Cc1cccc([C@@H](C)NCc2cc(C(=O)[O-])no2)c1C ZINC000902271616 621019853 /nfs/dbraw/zinc/01/98/53/621019853.db2.gz TWTCBXZVXRNFDS-LLVKDONJSA-N -1 1 274.320 2.840 20 0 CFADMM C[C@H](CNCc1cc(C(=O)[O-])no1)Sc1ccccc1 ZINC000902315986 621030744 /nfs/dbraw/zinc/03/07/44/621030744.db2.gz PYUDNHMSJXATNZ-SNVBAGLBSA-N -1 1 292.360 2.643 20 0 CFADMM C[C@H]1CCc2ccccc2[C@@H]1NCc1cc(C(=O)[O-])no1 ZINC000902337267 621041523 /nfs/dbraw/zinc/04/15/23/621041523.db2.gz LEVNOOXEKYGXSV-ZUZCIYMTSA-N -1 1 286.331 2.786 20 0 CFADMM CCc1oc(CN2CC[C@@H](OCC(C)C)C2)cc1C(=O)[O-] ZINC000902406707 621055582 /nfs/dbraw/zinc/05/55/82/621055582.db2.gz UJCFTOFGXQPWGV-GFCCVEGCSA-N -1 1 295.379 2.787 20 0 CFADMM O=C([O-])c1cc(CN2CCC[C@H]2c2cccs2)on1 ZINC000902509026 621107798 /nfs/dbraw/zinc/10/77/98/621107798.db2.gz VTOKWOLSTJGQJM-NSHDSACASA-N -1 1 278.333 2.771 20 0 CFADMM CC(C)[C@H](C(=O)[O-])C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC000902667824 621148500 /nfs/dbraw/zinc/14/85/00/621148500.db2.gz VGJGOTVBQMMKQD-JTQLQIEISA-N -1 1 295.726 2.512 20 0 CFADMM COc1ccc(C(=O)[O-])cc1CN1CCS[C@@H](C)[C@@H]1C ZINC000903594378 621403961 /nfs/dbraw/zinc/40/39/61/621403961.db2.gz GCKMPGWRBQYAPR-QWRGUYRKSA-N -1 1 295.404 2.719 20 0 CFADMM COc1ccc(C(=O)[O-])cc1CN1C[C@H](C)S[C@@H](C)C1 ZINC000903596024 621404364 /nfs/dbraw/zinc/40/43/64/621404364.db2.gz PSTIWVPKZSXMNM-QWRGUYRKSA-N -1 1 295.404 2.719 20 0 CFADMM COc1ccc(C(=O)[O-])cc1CN1C[C@@H](C)S[C@H](C)C1 ZINC000903596022 621404443 /nfs/dbraw/zinc/40/44/43/621404443.db2.gz PSTIWVPKZSXMNM-GHMZBOCLSA-N -1 1 295.404 2.719 20 0 CFADMM O=C([O-])c1ccc(CNc2cc3c(cn2)CCC3)s1 ZINC000903690437 621416815 /nfs/dbraw/zinc/41/68/15/621416815.db2.gz YXIDARZKZFQQKE-UHFFFAOYSA-N -1 1 274.345 2.942 20 0 CFADMM CCC[C@@H](C(=O)[O-])N1Cc2cccc(Cl)c2C1 ZINC000903958138 621478902 /nfs/dbraw/zinc/47/89/02/621478902.db2.gz XKPALUOJECMFJH-LBPRGKRZSA-N -1 1 253.729 2.909 20 0 CFADMM CN(Cc1ccco1)[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000903886197 621464432 /nfs/dbraw/zinc/46/44/32/621464432.db2.gz YXPKPOIEGVIZBB-HNNXBMFYSA-N -1 1 273.332 2.797 20 0 CFADMM O=C([O-])c1cccc2c1OCC[N@@H+](CCCCCF)C2 ZINC000903922312 621473913 /nfs/dbraw/zinc/47/39/13/621473913.db2.gz YACDEKAPIMBKIL-UHFFFAOYSA-N -1 1 281.327 2.719 20 0 CFADMM O=C([O-])c1cccc2c1OCCN(CCCCCF)C2 ZINC000903922312 621473917 /nfs/dbraw/zinc/47/39/17/621473917.db2.gz YACDEKAPIMBKIL-UHFFFAOYSA-N -1 1 281.327 2.719 20 0 CFADMM CC(C)(C)c1cc2n(n1)CCN(CCCCCC(=O)[O-])C2 ZINC000903916793 621478465 /nfs/dbraw/zinc/47/84/65/621478465.db2.gz PFINNCWAGIDPAB-UHFFFAOYSA-N -1 1 293.411 2.641 20 0 CFADMM CC(C)c1noc(CN2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)n1 ZINC000903952306 621488439 /nfs/dbraw/zinc/48/84/39/621488439.db2.gz XKWNSDJOXUVIQU-SBFPOUOMSA-N -1 1 295.383 2.513 20 0 CFADMM COc1cccc([C@H](CC(=O)[O-])NCc2cc(C)co2)c1 ZINC000903998363 621497058 /nfs/dbraw/zinc/49/70/58/621497058.db2.gz NJAKJWNKMFSKRL-HNNXBMFYSA-N -1 1 289.331 2.902 20 0 CFADMM Cc1[nH]ncc1CNc1ccc(CCCC(=O)[O-])cc1 ZINC000904012171 621506948 /nfs/dbraw/zinc/50/69/48/621506948.db2.gz RGMABYKZXHCXFB-UHFFFAOYSA-N -1 1 273.336 2.738 20 0 CFADMM O=C([O-])[C@@H]1CC=C[C@@H](NCc2c(F)cccc2Cl)C1 ZINC000904036667 621509367 /nfs/dbraw/zinc/50/93/67/621509367.db2.gz PMHBMUHPCVIXPA-NXEZZACHSA-N -1 1 283.730 2.988 20 0 CFADMM Cc1cc(C)c(/C=C\CNC[C@H](F)C(=O)[O-])c(C)c1 ZINC000904042115 621510643 /nfs/dbraw/zinc/51/06/43/621510643.db2.gz AXNLUWUIKURFKN-WSNITJDQSA-N -1 1 265.328 2.637 20 0 CFADMM Cc1cc(C)c(/C=C\CNC[C@H](F)C(=O)[O-])cc1C ZINC000904044079 621510840 /nfs/dbraw/zinc/51/08/40/621510840.db2.gz YPIKKFRINYKFLH-WSNITJDQSA-N -1 1 265.328 2.637 20 0 CFADMM CC[C@@H](NCc1ccccc1C)c1nc(C(=O)[O-])c[nH]1 ZINC000904064589 621514650 /nfs/dbraw/zinc/51/46/50/621514650.db2.gz LEHBAURLLPYQSU-GFCCVEGCSA-N -1 1 273.336 2.657 20 0 CFADMM O=C([O-])c1ccc(CN[C@H]2CCCc3cccnc32)cc1 ZINC000904260904 621563722 /nfs/dbraw/zinc/56/37/22/621563722.db2.gz UFRGNDDUQUCALG-HNNXBMFYSA-N -1 1 282.343 2.947 20 0 CFADMM CCc1onc(C)c1CNCc1ccc(C(=O)[O-])s1 ZINC000904261858 621564244 /nfs/dbraw/zinc/56/42/44/621564244.db2.gz PYXNLAPSLAINAE-UHFFFAOYSA-N -1 1 280.349 2.595 20 0 CFADMM CC1=C(C)C[C@@](C)(C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1 ZINC000904940028 621677077 /nfs/dbraw/zinc/67/70/77/621677077.db2.gz JTUSNVSCCWUQBK-KRWDZBQOSA-N -1 1 298.390 2.807 20 0 CFADMM O=C([O-])c1ccc(CNCc2ccc(OC(F)F)cc2)o1 ZINC000071380487 625509250 /nfs/dbraw/zinc/50/92/50/625509250.db2.gz XBLXFBVQHYQMCX-UHFFFAOYSA-N -1 1 297.257 2.869 20 0 CFADMM O=C([O-])c1ccc(CN[C@H]2CCc3cc(F)ccc32)nc1 ZINC000905725002 621834472 /nfs/dbraw/zinc/83/44/72/621834472.db2.gz RRGFFTIIRBFEET-HNNXBMFYSA-N -1 1 286.306 2.696 20 0 CFADMM O=C([O-])/C=C/c1ccc(CNC2([C@@H]3CCCCO3)CC2)o1 ZINC000905771220 621859615 /nfs/dbraw/zinc/85/96/15/621859615.db2.gz UYPZQBBBCGSPBM-UZYOAWRESA-N -1 1 291.347 2.569 20 0 CFADMM C[C@@H](NCc1cccc(C(=O)[O-])n1)c1ccc2c(c1)CCO2 ZINC000905772563 621860805 /nfs/dbraw/zinc/86/08/05/621860805.db2.gz YIIZYFRSJRKKAP-LLVKDONJSA-N -1 1 298.342 2.566 20 0 CFADMM CCC[C@@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000905786494 621871179 /nfs/dbraw/zinc/87/11/79/621871179.db2.gz QGWHZTRNFYHXSV-YUSALJHKSA-N -1 1 251.326 2.746 20 0 CFADMM CCN(CC(F)F)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000907352197 622115161 /nfs/dbraw/zinc/11/51/61/622115161.db2.gz MMUMTSPHEXBTAI-UHFFFAOYSA-N -1 1 298.264 2.807 20 0 CFADMM C[C@@H]1C[C@H](C)N1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000907873967 622171615 /nfs/dbraw/zinc/17/16/15/622171615.db2.gz OJXWAQLIKYFNGJ-DTORHVGOSA-N -1 1 274.295 2.702 20 0 CFADMM Cc1cc(C)c(CC(=O)[N-]OC/C=C\Cl)s1 ZINC000908312099 622213582 /nfs/dbraw/zinc/21/35/82/622213582.db2.gz MFDJMEXSGAYAAY-ARJAWSKDSA-N -1 1 259.758 2.708 20 0 CFADMM CCC(C)(C)C(=O)C(=O)Nc1c([O-])cccc1Cl ZINC000908413416 622228172 /nfs/dbraw/zinc/22/81/72/622228172.db2.gz KLCHQBDQVBMPNM-UHFFFAOYSA-N -1 1 269.728 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CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000912523057 622738780 /nfs/dbraw/zinc/73/87/80/622738780.db2.gz TYUBIHVZPYUMLW-GHMZBOCLSA-N -1 1 289.379 2.710 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CCC[C@H]2C[C@H]21 ZINC000834298156 625593782 /nfs/dbraw/zinc/59/37/82/625593782.db2.gz LJQDFTOGUCMDAC-DJLDLDEBSA-N -1 1 266.728 2.815 20 0 CFADMM COc1cccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1C ZINC000913003541 622817761 /nfs/dbraw/zinc/81/77/61/622817761.db2.gz HLDCWPOEELQEOY-UHFFFAOYSA-N -1 1 299.330 2.629 20 0 CFADMM O=C(Nc1nc(Br)ccc1[O-])[C@H]1C[C@H]1C1CC1 ZINC000156322753 622934884 /nfs/dbraw/zinc/93/48/84/622934884.db2.gz JXINOUZJCBGZSD-YUMQZZPRSA-N -1 1 297.152 2.534 20 0 CFADMM CCC[C@H](C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000156363948 622937384 /nfs/dbraw/zinc/93/73/84/622937384.db2.gz JEZCSJYVUGDJNP-ZETCQYMHSA-N -1 1 287.157 2.924 20 0 CFADMM CCc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)s1 ZINC000045571492 622990048 /nfs/dbraw/zinc/99/00/48/622990048.db2.gz FXTSJEFJZBBZOO-UHFFFAOYSA-N -1 1 290.270 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CCOC1CC2(C[C@H]2C(=O)Nc2c([O-])cccc2F)C1 ZINC000867007192 626531636 /nfs/dbraw/zinc/53/16/36/626531636.db2.gz VRXXXNFGDLZVBU-VOZQYIJBSA-N -1 1 279.311 2.675 20 0 CFADMM CCC1=C(C(=O)Nc2nc(Cl)ccc2[O-])CCCO1 ZINC000790047564 626541039 /nfs/dbraw/zinc/54/10/39/626541039.db2.gz LEYCIBFOKOKTRV-UHFFFAOYSA-N -1 1 282.727 2.854 20 0 CFADMM O=C(Cc1cccc(C2CC2)c1)[N-]O[C@H]1CCCCO1 ZINC000839613322 626548334 /nfs/dbraw/zinc/54/83/34/626548334.db2.gz CWXWXUXTFVSJHQ-INIZCTEOSA-N -1 1 275.348 2.681 20 0 CFADMM COC(C)(C)CN(C)C(=O)c1c([O-])cccc1Cl ZINC000759098334 626628366 /nfs/dbraw/zinc/62/83/66/626628366.db2.gz CCMLXGMDAPNFCT-UHFFFAOYSA-N -1 1 271.744 2.543 20 0 CFADMM CCCC[C@H](NC(=O)c1c([O-])cccc1Cl)C(=O)OC ZINC000760983041 626790009 /nfs/dbraw/zinc/79/00/09/626790009.db2.gz UAGRQJYZPYGINC-JTQLQIEISA-N -1 1 299.754 2.507 20 0 CFADMM C[C@H](C(=O)[N-]OCC(F)(F)F)c1cccc(F)c1 ZINC000766765215 627219514 /nfs/dbraw/zinc/21/95/14/627219514.db2.gz MRDQQNWVPRHSLS-ZETCQYMHSA-N -1 1 265.206 2.539 20 0 CFADMM 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CFADMM O=C(N[C@@H](CO)c1ccsc1)c1c([O-])cccc1Cl ZINC000771527708 627610890 /nfs/dbraw/zinc/61/08/90/627610890.db2.gz AYMVDWTXVFTYCZ-JTQLQIEISA-N -1 1 297.763 2.571 20 0 CFADMM CCOCCO[N-]C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000772696285 627736540 /nfs/dbraw/zinc/73/65/40/627736540.db2.gz APMUFEQDLTWXIL-JTQLQIEISA-N -1 1 271.744 2.528 20 0 CFADMM CCC1(O)CCC(NC(=O)c2c([O-])cccc2Cl)CC1 ZINC000772883634 627755588 /nfs/dbraw/zinc/75/55/88/627755588.db2.gz YDMVXILWRZAOMT-UHFFFAOYSA-N -1 1 297.782 2.859 20 0 CFADMM CC(C)[C@@H]1C[C@@H](NC(=O)c2c([O-])cccc2Cl)CCO1 ZINC000772906868 627758366 /nfs/dbraw/zinc/75/83/66/627758366.db2.gz XCAPPXROJWOKQC-GWCFXTLKSA-N -1 1 297.782 2.979 20 0 CFADMM Cc1cnc(COC(=O)c2ccc([O-])cc2F)s1 ZINC000773570139 627837950 /nfs/dbraw/zinc/83/79/50/627837950.db2.gz YPVMXSFITJQYRT-UHFFFAOYSA-N -1 1 267.281 2.653 20 0 CFADMM C[C@@H](OC(=O)c1ccc([O-])cc1F)C(=O)c1ccccc1 ZINC000773566770 627838013 /nfs/dbraw/zinc/83/80/13/627838013.db2.gz FNFSJAHHYFDYNP-SNVBAGLBSA-N -1 1 288.274 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259.309 2.648 20 0 CFADMM Cc1cnc(C(=O)N2Cc3ccccc3[C@@H](C)C2)c([O-])c1 ZINC000778310503 628296320 /nfs/dbraw/zinc/29/63/20/628296320.db2.gz VTHPKJSAGCUURM-LBPRGKRZSA-N -1 1 282.343 2.855 20 0 CFADMM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1c([O-])cccc1Cl ZINC000778505825 628311711 /nfs/dbraw/zinc/31/17/11/628311711.db2.gz TTXXEOYEGBVQFF-JQWIXIFHSA-N -1 1 297.782 2.669 20 0 CFADMM CCOC(C)(C)CNC(=O)c1c([O-])cccc1Cl ZINC000781766879 628579078 /nfs/dbraw/zinc/57/90/78/628579078.db2.gz RCBIZIHAFGZYCT-UHFFFAOYSA-N -1 1 271.744 2.591 20 0 CFADMM CC[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ncc[nH]1 ZINC000785421433 628881760 /nfs/dbraw/zinc/88/17/60/628881760.db2.gz OTTYXKQIRWRXAE-SECBINFHSA-N -1 1 279.727 2.650 20 0 CFADMM O=C(Nc1ccncc1[O-])C(F)=CC1CCCCC1 ZINC000786468190 628959614 /nfs/dbraw/zinc/95/96/14/628959614.db2.gz RGQNNPSVPFCRRQ-FLIBITNWSA-N -1 1 264.300 2.581 20 0 CFADMM Cc1ccc(F)cc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000786900444 628983740 /nfs/dbraw/zinc/98/37/40/628983740.db2.gz WXJCFWOYMPOZJZ-UHFFFAOYSA-N -1 1 298.339 2.748 20 0 CFADMM Cc1ccc(F)cc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000786900444 628983742 /nfs/dbraw/zinc/98/37/42/628983742.db2.gz WXJCFWOYMPOZJZ-UHFFFAOYSA-N -1 1 298.339 2.748 20 0 CFADMM CC(=O)c1cccc(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000790047683 629204717 /nfs/dbraw/zinc/20/47/17/629204717.db2.gz MWOABUKOBFXARE-UHFFFAOYSA-N -1 1 290.706 2.896 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CC12CCC2 ZINC000790047027 629204827 /nfs/dbraw/zinc/20/48/27/629204827.db2.gz AFJJWBNLKCPNQI-ZETCQYMHSA-N -1 1 252.701 2.569 20 0 CFADMM C[C@H](C(=O)Nc1nc(Cl)ccc1[O-])C(F)(F)F ZINC000790047039 629204921 /nfs/dbraw/zinc/20/49/21/629204921.db2.gz ANMJMEFGCNUSFT-SCSAIBSYSA-N -1 1 268.622 2.578 20 0 CFADMM CC(C)[C@H]1C[C@@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047814 629205732 /nfs/dbraw/zinc/20/57/32/629205732.db2.gz PDBMUTIQNRUJJC-SFYZADRCSA-N -1 1 254.717 2.671 20 0 CFADMM Cc1cnc(C(=O)Nc2nc(Cl)ccc2[O-])c(C)c1 ZINC000790056551 629206232 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ZINC000796369675 629909872 /nfs/dbraw/zinc/90/98/72/629909872.db2.gz RDMORSXEABHIGQ-WDEREUQCSA-N -1 1 279.336 2.784 20 0 CFADMM COC(=O)c1ccc(C(=O)OC[C@H]2CC=CC[C@@H]2C)[n-]1 ZINC000796799954 629969014 /nfs/dbraw/zinc/96/90/14/629969014.db2.gz DNCVLQHNJXHEQL-WDEREUQCSA-N -1 1 277.320 2.560 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@@H]2CCC[C@H](C)[C@H]2C)[n-]1 ZINC000797048534 630008431 /nfs/dbraw/zinc/00/84/31/630008431.db2.gz IPHJWJUDVXONFI-OPQQBVKSSA-N -1 1 279.336 2.783 20 0 CFADMM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1O ZINC000798176204 630159909 /nfs/dbraw/zinc/15/99/09/630159909.db2.gz TVOMFLZEAOANBE-UHFFFAOYSA-N -1 1 279.242 2.937 20 0 CFADMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC000867151710 630169815 /nfs/dbraw/zinc/16/98/15/630169815.db2.gz MHLDSRBBHHTHQG-YUMQZZPRSA-N -1 1 279.308 2.684 20 0 CFADMM CCO[N-]C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000798864537 630248148 /nfs/dbraw/zinc/24/81/48/630248148.db2.gz SPXYSQYUIGAWPC-MRVPVSSYSA-N -1 1 261.243 2.877 20 0 CFADMM CO[C@H]1CCCC[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC000799821582 630346623 /nfs/dbraw/zinc/34/66/23/630346623.db2.gz YOSKNXBMNQECET-JQWIXIFHSA-N -1 1 283.755 2.733 20 0 CFADMM O=C(OCC1CCC1)c1nn(-c2ccccc2)cc1[O-] ZINC000801203444 630433543 /nfs/dbraw/zinc/43/35/43/630433543.db2.gz RMQHMPXCMXNNNY-UHFFFAOYSA-N -1 1 272.304 2.535 20 0 CFADMM CC[C@@H](C)OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801324800 630441834 /nfs/dbraw/zinc/44/18/34/630441834.db2.gz CLFXQXVIPVFYOZ-SECBINFHSA-N -1 1 278.283 2.672 20 0 CFADMM COC(=O)[C@@H](CC(C)(C)C)OC(=O)c1ccc([O-])cc1F ZINC000801853759 630479712 /nfs/dbraw/zinc/47/97/12/630479712.db2.gz SRQQALSHPSCBMF-GFCCVEGCSA-N -1 1 298.310 2.666 20 0 CFADMM CCc1ccccc1[C@@H]1C[C@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000801867762 630482487 /nfs/dbraw/zinc/48/24/87/630482487.db2.gz UZSBEMPAZMNBNB-ARFHVFGLSA-N -1 1 289.375 2.927 20 0 CFADMM CC(C)C(=O)c1ccc([C@H](C)C(=O)[N-]OCC(F)F)cc1 ZINC000801949228 630494299 /nfs/dbraw/zinc/49/42/99/630494299.db2.gz KWOZYFPCBOQQQQ-JTQLQIEISA-N -1 1 299.317 2.942 20 0 CFADMM CCN(C(=O)c1cncc([O-])c1)c1ccc2[nH]ccc2c1 ZINC000803171910 630588150 /nfs/dbraw/zinc/58/81/50/630588150.db2.gz VJHFDBZXXFKOHU-UHFFFAOYSA-N -1 1 281.315 2.935 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@]2(C1)CCCOC2 ZINC000803687864 630634030 /nfs/dbraw/zinc/63/40/30/630634030.db2.gz IVDUNYYWKZGMGC-OAHLLOKOSA-N -1 1 295.766 2.688 20 0 CFADMM CSc1cccc(NC(=O)c2ccc([O-])c(F)c2)n1 ZINC000807780593 630910462 /nfs/dbraw/zinc/91/04/62/630910462.db2.gz RZDCNUYFMCFLKB-UHFFFAOYSA-N -1 1 278.308 2.901 20 0 CFADMM O=C(NC[C@H]1CCCSC1)c1c([O-])cccc1Cl ZINC000807849871 630913661 /nfs/dbraw/zinc/91/36/61/630913661.db2.gz FAPBQYSAZZFCPW-SECBINFHSA-N -1 1 285.796 2.919 20 0 CFADMM CCn1cc([C@H](C)NC(=O)c2c([O-])cccc2Cl)cn1 ZINC000837040844 630942470 /nfs/dbraw/zinc/94/24/70/630942470.db2.gz KUKUCJLWCDYWSV-VIFPVBQESA-N -1 1 293.754 2.753 20 0 CFADMM O=C(NCCOCC1CCCC1)c1c([O-])cccc1Cl ZINC000837216839 630979513 /nfs/dbraw/zinc/97/95/13/630979513.db2.gz ZXAHWOUXYGMUCN-UHFFFAOYSA-N -1 1 297.782 2.982 20 0 CFADMM CC(C)c1cccc(CC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000837381406 631017215 /nfs/dbraw/zinc/01/72/15/631017215.db2.gz KCNLRWDLLXHLGY-MRXNPFEDSA-N -1 1 277.364 2.927 20 0 CFADMM COCCN(CCF)C(=O)c1cc2ccccc2cc1[O-] ZINC000855587987 635592286 /nfs/dbraw/zinc/59/22/86/635592286.db2.gz WVQXTONDFSTAHC-UHFFFAOYSA-N -1 1 291.322 2.604 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1C[C@H]1CC(C)C ZINC000837900918 631149202 /nfs/dbraw/zinc/14/92/02/631149202.db2.gz DQEAZWABBITTET-VXGBXAGGSA-N -1 1 291.395 2.778 20 0 CFADMM O=C(NCCNc1ccccc1)c1c(F)ccc([O-])c1F ZINC000809685358 631262399 /nfs/dbraw/zinc/26/23/99/631262399.db2.gz PGDHRAXYKSASAZ-UHFFFAOYSA-N -1 1 292.285 2.512 20 0 CFADMM CS[C@@H]1CC[C@@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000809698570 631266607 /nfs/dbraw/zinc/26/66/07/631266607.db2.gz ZZHIJPZZYPOQKB-HTQZYQBOSA-N -1 1 287.331 2.684 20 0 CFADMM CO[C@@H](CNC(=O)c1c([O-])cccc1Cl)CC(C)C ZINC000841446902 631405213 /nfs/dbraw/zinc/40/52/13/631405213.db2.gz XWBWDFZOLVFCQS-SNVBAGLBSA-N -1 1 285.771 2.837 20 0 CFADMM CC(C)N(C)C(=O)[C@@H](C)O[N-]C(=O)CCC1CCCCC1 ZINC000842029267 631506655 /nfs/dbraw/zinc/50/66/55/631506655.db2.gz ZCSYVWMNRZXWKD-CYBMUJFWSA-N -1 1 298.427 2.650 20 0 CFADMM CC1(C)CC[C@@H](OC(=O)c2c([O-])cc(F)cc2F)C1=O ZINC000840225525 631524306 /nfs/dbraw/zinc/52/43/06/631524306.db2.gz ZEUMMQREUSMSPJ-SNVBAGLBSA-N -1 1 284.258 2.585 20 0 CFADMM O=C(NOC/C=C/Cl)c1ccc(C(F)(F)F)cc1[O-] ZINC000812404857 631704986 /nfs/dbraw/zinc/70/49/86/631704986.db2.gz KZBAKJRDAUTCON-DAFODLJHSA-N -1 1 295.644 2.825 20 0 CFADMM CCCN[C@@H](C)c1nc(-c2ccc(C(=O)[O-])s2)no1 ZINC000843169529 631875457 /nfs/dbraw/zinc/87/54/57/631875457.db2.gz MKXASTXTPMAGJC-ZETCQYMHSA-N -1 1 281.337 2.557 20 0 CFADMM CCCN[C@@H](C)c1nc(-c2ccc(C(=O)[O-])c(C)c2)no1 ZINC000843170030 631876304 /nfs/dbraw/zinc/87/63/04/631876304.db2.gz YXPWNGXHWJFDDK-JTQLQIEISA-N -1 1 289.335 2.804 20 0 CFADMM CCSCCCc1noc(-c2ccc(N)cc2[O-])n1 ZINC000843225850 631903744 /nfs/dbraw/zinc/90/37/44/631903744.db2.gz NIGRTYBVSDZPIH-UHFFFAOYSA-N -1 1 279.365 2.710 20 0 CFADMM CCC1([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000867331419 632029420 /nfs/dbraw/zinc/02/94/20/632029420.db2.gz CNLQETJBTUGRPK-UHFFFAOYSA-N -1 1 295.191 2.609 20 0 CFADMM CCCC[C@](C)(CO)NC(=O)c1c([O-])cccc1Cl ZINC000844019018 632097898 /nfs/dbraw/zinc/09/78/98/632097898.db2.gz HXNAFIDSPRIYRB-CQSZACIVSA-N -1 1 285.771 2.717 20 0 CFADMM CCCO[N-]C(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000844086226 632114447 /nfs/dbraw/zinc/11/44/47/632114447.db2.gz XIOWFHDMVLJDGL-OAHLLOKOSA-N -1 1 294.370 2.638 20 0 CFADMM CCCO[N-]C(=O)[C@H](C)c1cn(C)c2ccccc12 ZINC000844088241 632115072 /nfs/dbraw/zinc/11/50/72/632115072.db2.gz POWOBUJETMBSCP-LLVKDONJSA-N -1 1 260.337 2.740 20 0 CFADMM O=C([N-]CCC[C@@H]1CC1(Cl)Cl)C(F)(F)C(F)F ZINC000844965507 632347610 /nfs/dbraw/zinc/34/76/10/632347610.db2.gz RXRXJPXJPYXWHT-RXMQYKEDSA-N -1 1 296.091 2.977 20 0 CFADMM CC(=CC(=O)Nc1c(C)[n-][nH]c1=O)c1cccc(F)c1 ZINC000816741148 632518228 /nfs/dbraw/zinc/51/82/28/632518228.db2.gz ZHZCCQFZJQENTK-SOFGYWHQSA-N -1 1 275.283 2.605 20 0 CFADMM Cc1ccoc1CNC(=O)c1c([O-])cccc1Cl ZINC000816982860 632545221 /nfs/dbraw/zinc/54/52/21/632545221.db2.gz YAHIWKHQYSLBNW-UHFFFAOYSA-N -1 1 265.696 2.877 20 0 CFADMM [O-]c1cccc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1Cl ZINC000846113751 632636223 /nfs/dbraw/zinc/63/62/23/632636223.db2.gz PBYSZTJQZYWJFX-DTORHVGOSA-N -1 1 259.683 2.743 20 0 CFADMM O=C([O-])C[C@@H]1CCCN1Cc1cncc(C(F)(F)F)c1 ZINC000846273653 632679750 /nfs/dbraw/zinc/67/97/50/632679750.db2.gz AHXDIFWUDHZUKW-NSHDSACASA-N -1 1 288.269 2.540 20 0 CFADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)C2(CCC2)CO1 ZINC000846514129 632721103 /nfs/dbraw/zinc/72/11/03/632721103.db2.gz XKSCXCWACXPIRJ-SNVBAGLBSA-N -1 1 295.766 2.829 20 0 CFADMM CC(F)(F)C[N-]C(=O)C(F)(F)c1ccccc1F ZINC000818251660 632818583 /nfs/dbraw/zinc/81/85/83/632818583.db2.gz GBNZQJYKPYAACJ-UHFFFAOYSA-N -1 1 267.197 2.689 20 0 CFADMM CC(C)([N-]C(=O)C(F)(F)c1nccs1)C(C)(F)F 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ZINC000885674211 635263702 /nfs/dbraw/zinc/26/37/02/635263702.db2.gz KLGDITWKCUNRAV-RXMQYKEDSA-N -1 1 263.721 2.875 20 0 CFADMM CC(C)(C)CN(CC(=O)[O-])Cc1c(F)ccc(O)c1F ZINC000854244301 635270274 /nfs/dbraw/zinc/27/02/74/635270274.db2.gz ZAWDYWFJGRUJJN-UHFFFAOYSA-N -1 1 287.306 2.603 20 0 CFADMM C[C@]1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCCOC1 ZINC000885675791 635277369 /nfs/dbraw/zinc/27/73/69/635277369.db2.gz AZDVHLLFEKXWKI-ZDUSSCGKSA-N -1 1 287.718 2.940 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C=CC1CCCCCC1 ZINC000854632114 635351933 /nfs/dbraw/zinc/35/19/33/635351933.db2.gz DHIHTYILSQONJM-HJWRWDBZSA-N -1 1 263.341 2.889 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccccc1CC(C)C ZINC000854634403 635352404 /nfs/dbraw/zinc/35/24/04/635352404.db2.gz CKZFYXVYIYOELW-UHFFFAOYSA-N -1 1 273.336 2.875 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C(F)=CC1CCCCC1 ZINC000854634986 635352634 /nfs/dbraw/zinc/35/26/34/635352634.db2.gz LCXDZVGIQTVFPH-YFHOEESVSA-N -1 1 267.304 2.796 20 0 CFADMM CCOC(=O)C(C)(C)O[N-]C(=O)C1(CC(C)C)CCC1 ZINC000855133575 635464106 /nfs/dbraw/zinc/46/41/06/635464106.db2.gz JIRUAHITWVCNLI-UHFFFAOYSA-N -1 1 285.384 2.592 20 0 CFADMM C[C@H]1COC2(CCC2)CN1C(=O)c1c([O-])cccc1Cl ZINC000855519416 635569198 /nfs/dbraw/zinc/56/91/98/635569198.db2.gz SICASVHUVJTNIQ-JTQLQIEISA-N -1 1 295.766 2.829 20 0 CFADMM C[C@@H](C(=O)[N-]OCC1CCC1)c1ccccc1F ZINC000856347209 635789049 /nfs/dbraw/zinc/78/90/49/635789049.db2.gz HGDYPDGPOLXZCF-SNVBAGLBSA-N -1 1 251.301 2.777 20 0 CFADMM O=C([N-][C@@H]1CCO[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000158525461 650228781 /nfs/dbraw/zinc/22/87/81/650228781.db2.gz KVXDUHAHIZTGBM-GHMZBOCLSA-N -1 1 273.254 2.585 20 0 CFADMM CN(CCCc1ccccc1)c1cc(Cl)[n-]c(=O)n1 ZINC000858349656 636203177 /nfs/dbraw/zinc/20/31/77/636203177.db2.gz MSOBLLZHJAALGX-UHFFFAOYSA-N -1 1 277.755 2.905 20 0 CFADMM CS[C@@H]1CCC[C@@H](Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858414546 636226054 /nfs/dbraw/zinc/22/60/54/636226054.db2.gz LXHBJIBSQOXRDZ-HTQZYQBOSA-N -1 1 273.789 2.922 20 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251.664 2.683 20 0 CFADMM O=c1nc(NC[C@@H]2CCOC3(CCC3)C2)cc(Cl)[n-]1 ZINC000858560471 636292424 /nfs/dbraw/zinc/29/24/24/636292424.db2.gz VGQSYFCZDWXOCV-SECBINFHSA-N -1 1 283.759 2.597 20 0 CFADMM CC(C)(CNc1cc(Cl)[n-]c(=O)n1)C1(O)CCCC1 ZINC000858564439 636295001 /nfs/dbraw/zinc/29/50/01/636295001.db2.gz MSXUWBVCCKEVBZ-UHFFFAOYSA-N -1 1 285.775 2.579 20 0 CFADMM O=c1nc(N[C@H](C2CC2)[C@@H]2CCCCO2)cc(Cl)[n-]1 ZINC000858615373 636309594 /nfs/dbraw/zinc/30/95/94/636309594.db2.gz SZLATEROHGFNQS-JOYOIKCWSA-N -1 1 283.759 2.595 20 0 CFADMM O=c1nc(N[C@H]2C[C@H](Oc3ccccc3)C2)cc(Cl)[n-]1 ZINC000858626988 636312317 /nfs/dbraw/zinc/31/23/17/636312317.db2.gz OGGGJRZTINDMOX-HOMQSWHASA-N -1 1 291.738 2.858 20 0 CFADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)CC(C)(C)O1 ZINC000049181065 650290433 /nfs/dbraw/zinc/29/04/33/650290433.db2.gz BTSDFJIVYGTVFJ-SECBINFHSA-N -1 1 283.755 2.685 20 0 CFADMM COC(=O)c1ccc(C(=O)OC2CCC(F)(F)CC2)[n-]1 ZINC000860974912 637037711 /nfs/dbraw/zinc/03/77/11/637037711.db2.gz 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CCN(C(=O)c1cc(F)ccc1[O-])C1CCCC1 ZINC000128612492 187379533 /nfs/dbraw/zinc/37/95/33/187379533.db2.gz QGVIRRJUKUQTEV-UHFFFAOYSA-N -1 1 251.301 2.936 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](C(F)(F)F)C1 ZINC000124045814 347822981 /nfs/dbraw/zinc/82/29/81/347822981.db2.gz VQUNWYGSUVCLBU-MRVPVSSYSA-N -1 1 291.244 2.946 20 0 CFADMM COc1cc(C(=O)NCC2(C3CC3)CC2)cc(Cl)c1[O-] ZINC000154019365 539594254 /nfs/dbraw/zinc/59/42/54/539594254.db2.gz CNJSAWJFOKYDRR-UHFFFAOYSA-N -1 1 295.766 2.974 20 0 CFADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000171329030 348075537 /nfs/dbraw/zinc/07/55/37/348075537.db2.gz DXZKYIFMXAFJTL-UHFFFAOYSA-N -1 1 295.335 2.773 20 0 CFADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1ccc(Cl)cc1F ZINC000162564302 348031311 /nfs/dbraw/zinc/03/13/11/348031311.db2.gz KJMKNTPAHAGETQ-KWQFWETISA-N -1 1 271.719 2.774 20 0 CFADMM CCCc1n[n-]c(=S)n1CC(=O)Nc1cccc(F)c1 ZINC000198644353 348150124 /nfs/dbraw/zinc/15/01/24/348150124.db2.gz RWNPCUAKKNFWBM-UHFFFAOYSA-N -1 1 294.355 2.671 20 0 CFADMM CC(C)CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000198882028 348152046 /nfs/dbraw/zinc/15/20/46/348152046.db2.gz MDLYROJWZMGKMM-UHFFFAOYSA-N -1 1 289.375 2.860 20 0 CFADMM C[C@H](CNC(=O)c1cc(Br)ccc1[O-])C1CC1 ZINC000218762488 348167469 /nfs/dbraw/zinc/16/74/69/348167469.db2.gz UUYRCYRNNCPQSO-MRVPVSSYSA-N -1 1 298.180 2.931 20 0 CFADMM C[C@@H](Cc1ccsc1)NC(=O)c1c([O-])cccc1F ZINC000228839983 348198048 /nfs/dbraw/zinc/19/80/48/348198048.db2.gz VBSMSCLECAMKJD-VIFPVBQESA-N -1 1 279.336 2.954 20 0 CFADMM CC(C)(C)c1cnc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])o1 ZINC000229219422 348199201 /nfs/dbraw/zinc/19/92/01/348199201.db2.gz MOBLPEQDANYJSG-COPLHBTASA-N -1 1 292.379 2.657 20 0 CFADMM C[C@]12COC[C@H]1C[N@H+](Cc1cccc([O-])c1Cl)C2 ZINC000668598318 539610278 /nfs/dbraw/zinc/61/02/78/539610278.db2.gz YHNVLDPEZHFIFR-RISCZKNCSA-N -1 1 267.756 2.514 20 0 CFADMM CCc1nc(SCCOCC2CC2)[n-]c(=O)c1C ZINC000564470637 290211306 /nfs/dbraw/zinc/21/13/06/290211306.db2.gz JITADCPUQLFLGN-UHFFFAOYSA-N -1 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274.295 2.515 20 0 CFADMM CCC(C)(C)[C@H](C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000617569394 352590606 /nfs/dbraw/zinc/59/06/06/352590606.db2.gz XZJVXQDSWXMAET-JTQLQIEISA-N -1 1 263.337 2.516 20 0 CFADMM COCC1(N(C)C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000617473601 352569773 /nfs/dbraw/zinc/56/97/73/352569773.db2.gz GHAHSMWQPVEVCY-UHFFFAOYSA-N -1 1 285.343 2.796 20 0 CFADMM CCN(C(=O)c1ncc2ccccc2c1[O-])C1CCC1 ZINC000668955393 539914687 /nfs/dbraw/zinc/91/46/87/539914687.db2.gz TXRMGCPLZTUQJH-UHFFFAOYSA-N -1 1 270.332 2.955 20 0 CFADMM O=C(N[C@@H]1CCc2ccccc21)c1csc(=NC2CC2)[nH]1 ZINC000618373990 352759994 /nfs/dbraw/zinc/75/99/94/352759994.db2.gz RUYVKIMCOYGUBY-CYBMUJFWSA-N -1 1 299.399 2.557 20 0 CFADMM O=C(N[C@@H]1CCc2ccccc21)c1csc(=NC2CC2)[n-]1 ZINC000618373990 352760001 /nfs/dbraw/zinc/76/00/01/352760001.db2.gz RUYVKIMCOYGUBY-CYBMUJFWSA-N -1 1 299.399 2.557 20 0 CFADMM C[C@H](O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000618914885 352910242 /nfs/dbraw/zinc/91/02/42/352910242.db2.gz 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ZINC000621313717 353321417 /nfs/dbraw/zinc/32/14/17/353321417.db2.gz UYTSZPWRFRAIDC-UHFFFAOYSA-N -1 1 291.775 2.804 20 0 CFADMM CSc1ccc([O-])c(C(=O)Nc2nc(C3CC3)c[nH]2)c1 ZINC000622046349 353469124 /nfs/dbraw/zinc/46/91/24/353469124.db2.gz SFASUICYVNWPTG-UHFFFAOYSA-N -1 1 289.360 2.967 20 0 CFADMM C[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@H]1CO ZINC000622233007 353505955 /nfs/dbraw/zinc/50/59/55/353505955.db2.gz CRTITSNETRSHFA-OCCSQVGLSA-N -1 1 299.370 2.636 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CC(Cc2ccsc2)C1 ZINC000622255180 353514836 /nfs/dbraw/zinc/51/48/36/353514836.db2.gz VFHWKTXZEDOGGA-UHFFFAOYSA-N -1 1 291.347 2.908 20 0 CFADMM Cc1ncccc1NC(=O)c1c(F)ccc([O-])c1F ZINC000622405485 353523252 /nfs/dbraw/zinc/52/32/52/353523252.db2.gz VZCBKNROIDCCLK-UHFFFAOYSA-N -1 1 264.231 2.626 20 0 CFADMM O=C(c1c(F)ccc([O-])c1F)N1Cc2cccc(F)c2C1 ZINC000622693628 353534833 /nfs/dbraw/zinc/53/48/33/353534833.db2.gz QGPKDVINJWLCPA-UHFFFAOYSA-N -1 1 293.244 2.966 20 0 CFADMM 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374767025 /nfs/dbraw/zinc/76/70/25/374767025.db2.gz YBCFPFMXYIHEEX-JTQLQIEISA-N -1 1 261.243 2.877 20 0 CFADMM CC[C@@H](C(=O)[N-]OC)c1cccc(C(F)(F)F)c1 ZINC000084180998 374767065 /nfs/dbraw/zinc/76/70/65/374767065.db2.gz YBCFPFMXYIHEEX-SNVBAGLBSA-N -1 1 261.243 2.877 20 0 CFADMM CCC[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000089944515 374974389 /nfs/dbraw/zinc/97/43/89/374974389.db2.gz SCHOTQYWWLMQMT-NSHDSACASA-N -1 1 283.755 2.687 20 0 CFADMM CCN(CC(C)(C)O)C(=O)c1ccc2ccccc2c1[O-] ZINC000092967273 375170356 /nfs/dbraw/zinc/17/03/56/375170356.db2.gz KLJCTMVXHMZEBN-UHFFFAOYSA-N -1 1 287.359 2.778 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2C)c(C)n1 ZINC000094667184 375373395 /nfs/dbraw/zinc/37/33/95/375373395.db2.gz KPOCHJONLKZDIC-UHFFFAOYSA-N -1 1 276.361 2.808 20 0 CFADMM O=C(Nc1ccc2nc[nH]c2c1)c1c([O-])cc(F)cc1F ZINC000678307832 542003818 /nfs/dbraw/zinc/00/38/18/542003818.db2.gz RIUIGZQFCVNZDQ-UHFFFAOYSA-N -1 1 289.241 2.799 20 0 CFADMM CCCC[C@H](Sc1nc(CCC)cc(=O)[n-]1)C(=O)OC 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ZINC000111771643 375869335 /nfs/dbraw/zinc/86/93/35/375869335.db2.gz WNQCEJFWCXJOJI-UHFFFAOYSA-N -1 1 280.230 2.641 20 0 CFADMM CCC(C)(CC)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000113294143 376008673 /nfs/dbraw/zinc/00/86/73/376008673.db2.gz JKYVJAOTRNXRJU-UHFFFAOYSA-N -1 1 277.336 2.822 20 0 CFADMM O=C(C[C@H]1OCCc2ccccc21)[N-]OCc1ccccc1 ZINC000115320720 376126382 /nfs/dbraw/zinc/12/63/82/376126382.db2.gz QEWULAQYTACDCC-QGZVFWFLSA-N -1 1 297.354 2.939 20 0 CFADMM C[C@]1(C(=O)[O-])CCN(Cc2csc(-c3ccoc3)n2)C1 ZINC000571649047 383714204 /nfs/dbraw/zinc/71/42/04/383714204.db2.gz LIZLBHBPARWFCX-AWEZNQCLSA-N -1 1 292.360 2.700 20 0 CFADMM COc1cccc(S(=O)(=O)[N-]c2ncccc2Cl)c1 ZINC000679204892 542133773 /nfs/dbraw/zinc/13/37/73/542133773.db2.gz TUMVLNKVNICPBT-UHFFFAOYSA-N -1 1 298.751 2.544 20 0 CFADMM C[C@H](C[N-]C(=O)C(F)(F)F)c1nc(-c2ccccc2)no1 ZINC000125303886 377141303 /nfs/dbraw/zinc/14/13/03/377141303.db2.gz MUUIVCARCCEVNI-MRVPVSSYSA-N -1 1 299.252 2.519 20 0 CFADMM COc1ccccc1[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000126007281 377206493 /nfs/dbraw/zinc/20/64/93/377206493.db2.gz ZMWGJDRDUDBUFP-CYBMUJFWSA-N -1 1 298.342 2.773 20 0 CFADMM COc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000128591861 377349139 /nfs/dbraw/zinc/34/91/39/377349139.db2.gz KJKPKJJNEYGFQU-UHFFFAOYSA-N -1 1 261.252 2.792 20 0 CFADMM CCCNC(=O)CCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129550262 377443731 /nfs/dbraw/zinc/44/37/31/377443731.db2.gz GJJXWBIBEROEEY-UHFFFAOYSA-N -1 1 298.770 2.681 20 0 CFADMM CCCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000130920159 377631171 /nfs/dbraw/zinc/63/11/71/377631171.db2.gz JAHQLBGLHDIVDC-UHFFFAOYSA-N -1 1 265.737 2.558 20 0 CFADMM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000132080923 377799900 /nfs/dbraw/zinc/79/99/00/377799900.db2.gz QKWYTUXMBCUNLM-QMMMGPOBSA-N -1 1 291.775 2.946 20 0 CFADMM C[C@H](CC1CC1)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000132081132 377800047 /nfs/dbraw/zinc/80/00/47/377800047.db2.gz QKWYTUXMBCUNLM-MRVPVSSYSA-N -1 1 291.775 2.946 20 0 CFADMM CSC[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000132715506 377869006 /nfs/dbraw/zinc/86/90/06/377869006.db2.gz MCZVDCOPWHWCKJ-ZETCQYMHSA-N -1 1 297.804 2.509 20 0 CFADMM CS[C@@H](C)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000133144478 377908214 /nfs/dbraw/zinc/90/82/14/377908214.db2.gz DYNTUMZTCOMYLP-ZETCQYMHSA-N -1 1 297.804 2.509 20 0 CFADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000134989097 378072167 /nfs/dbraw/zinc/07/21/67/378072167.db2.gz ZBRPGRBUOUMSLE-RKDXNWHRSA-N -1 1 253.729 2.916 20 0 CFADMM CCCCc1cc([N-]S(=O)(=O)Cc2ccccc2)n[nH]1 ZINC000135577251 378147200 /nfs/dbraw/zinc/14/72/00/378147200.db2.gz ONBSSXCFBGJHAD-UHFFFAOYSA-N -1 1 293.392 2.694 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1C[C@@H]2CCC[C@H]2C1 ZINC000148891523 378260555 /nfs/dbraw/zinc/26/05/55/378260555.db2.gz PJIZSSUHZZVEEJ-UWVGGRQHSA-N -1 1 265.740 2.918 20 0 CFADMM CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1O ZINC000153598454 378498849 /nfs/dbraw/zinc/49/88/49/378498849.db2.gz BALMNJOVCVIJIX-GFCCVEGCSA-N -1 1 282.771 2.859 20 0 CFADMM O=C(Nc1ccc(Cl)cc1[O-])c1n[nH]c2c1CCC2 ZINC000153603568 378501320 /nfs/dbraw/zinc/50/13/20/378501320.db2.gz YRBDOBBZKQZHBQ-UHFFFAOYSA-N -1 1 277.711 2.510 20 0 CFADMM CC(C)(C)CCCC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000330461268 378562973 /nfs/dbraw/zinc/56/29/73/378562973.db2.gz RSAZHIKSUKSJRZ-NSHDSACASA-N -1 1 295.383 2.698 20 0 CFADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1nc2ccccc2[nH]1 ZINC000154625451 378584714 /nfs/dbraw/zinc/58/47/14/378584714.db2.gz UAIHKAAHNSFHOZ-VIFPVBQESA-N -1 1 299.305 2.899 20 0 CFADMM O=c1cc(C(F)(F)F)nc(SCC[C@H]2CCCO2)[n-]1 ZINC000330945017 378601260 /nfs/dbraw/zinc/60/12/60/378601260.db2.gz FEZIMUJHJVQVAE-SSDOTTSWSA-N -1 1 294.298 2.862 20 0 CFADMM Cc1cnc(C(=O)N(CC(C)C)C(C)C)c([O-])c1 ZINC000331209076 378650910 /nfs/dbraw/zinc/65/09/10/378650910.db2.gz QFIBUGSBUBDBAE-UHFFFAOYSA-N -1 1 250.342 2.602 20 0 CFADMM CS[C@H](C)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000159530045 378715353 /nfs/dbraw/zinc/71/53/53/378715353.db2.gz YFSCSKZCOYETEQ-SSDOTTSWSA-N -1 1 259.758 2.527 20 0 CFADMM O=C(Cc1cccc(F)c1F)Nc1ccc(F)cc1[O-] ZINC000334213869 378934721 /nfs/dbraw/zinc/93/47/21/378934721.db2.gz DNGQGPJCSJRWMO-UHFFFAOYSA-N -1 1 281.233 2.991 20 0 CFADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000162875265 378940171 /nfs/dbraw/zinc/94/01/71/378940171.db2.gz SJHVTYKLGJLGRY-GHMZBOCLSA-N -1 1 280.393 2.533 20 0 CFADMM COc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000334355858 379146649 /nfs/dbraw/zinc/14/66/49/379146649.db2.gz LNWJHTMTOAIAMJ-UHFFFAOYSA-N -1 1 261.252 2.792 20 0 CFADMM CCc1nc(C)c(C(=O)Nc2ccc(F)cc2[O-])o1 ZINC000334373164 379182004 /nfs/dbraw/zinc/18/20/04/379182004.db2.gz ZNPJUAORSWJCQI-UHFFFAOYSA-N -1 1 264.256 2.642 20 0 CFADMM O=C(N[C@H]1C[C@@H]1C(F)F)c1ccc2ccccc2c1[O-] ZINC000334381591 379198245 /nfs/dbraw/zinc/19/82/45/379198245.db2.gz FOGROKSQMFFDPS-RYUDHWBXSA-N -1 1 277.270 2.929 20 0 CFADMM C[C@H]1CCC[C@@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000334401096 379234635 /nfs/dbraw/zinc/23/46/35/379234635.db2.gz FKQJZHAUWCJRQF-CBAPKCEASA-N -1 1 255.264 2.589 20 0 CFADMM CN(C[C@H]1CC=CCC1)C(=O)c1ccc([O-])cc1F ZINC000334396566 379222947 /nfs/dbraw/zinc/22/29/47/379222947.db2.gz CACZMWVZXJIVEY-NSHDSACASA-N -1 1 263.312 2.960 20 0 CFADMM C[C@H]1CCN(Cc2cc(F)ccc2F)C[C@H]1C(=O)[O-] ZINC000335424671 379273811 /nfs/dbraw/zinc/27/38/11/379273811.db2.gz PIBFENGOHMIDAJ-JOYOIKCWSA-N -1 1 269.291 2.507 20 0 CFADMM O=C(N[C@@H]1CCC[C@H](F)C1)c1c([O-])cccc1F ZINC000335519266 379441848 /nfs/dbraw/zinc/44/18/48/379441848.db2.gz HWWACCBKLNUKRZ-DTWKUNHWSA-N -1 1 255.264 2.542 20 0 CFADMM O=C(N[C@@H]1CCc2c1cccc2Cl)c1cncc([O-])c1 ZINC000171866174 379425675 /nfs/dbraw/zinc/42/56/75/379425675.db2.gz JSMZPJLDOYHWAD-CQSZACIVSA-N -1 1 288.734 2.858 20 0 CFADMM C[C@H]1C[C@H](CO)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000335531982 379464897 /nfs/dbraw/zinc/46/48/97/379464897.db2.gz RWRGADKVJIMBBF-STQMWFEESA-N -1 1 299.370 2.636 20 0 CFADMM Cc1c([C@H](C)NC(=O)c2cc(Cl)ccc2[O-])cnn1C ZINC000171998586 379466380 /nfs/dbraw/zinc/46/63/80/379466380.db2.gz RDQXVDWMUFCUQA-QMMMGPOBSA-N -1 1 293.754 2.579 20 0 CFADMM CCC(C)(CC)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000172100939 379495325 /nfs/dbraw/zinc/49/53/25/379495325.db2.gz BNHDNARVSZOCBM-UHFFFAOYSA-N -1 1 295.326 2.961 20 0 CFADMM O=C([O-])[C@H]1CCCN1Cc1cc2cc(F)ccc2o1 ZINC000334594044 379593308 /nfs/dbraw/zinc/59/33/08/379593308.db2.gz CDVUJEVMOMCDAC-GFCCVEGCSA-N -1 1 263.268 2.621 20 0 CFADMM CC[C@H](c1ccccc1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000172870652 379660928 /nfs/dbraw/zinc/66/09/28/379660928.db2.gz GSFCBNOZCUCPBS-GFCCVEGCSA-N -1 1 291.376 2.607 20 0 CFADMM Cc1noc([N-]C(=O)c2cnc(-c3ccccc3)s2)n1 ZINC000048699977 412916634 /nfs/dbraw/zinc/91/66/34/412916634.db2.gz FIIVPEBBVFCPKA-UHFFFAOYSA-N -1 1 286.316 2.754 20 0 CFADMM Cc1ccc(CO)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000335694231 379734545 /nfs/dbraw/zinc/73/45/45/379734545.db2.gz YEJOESMUVSIADE-UHFFFAOYSA-N -1 1 275.279 2.584 20 0 CFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1C=CCCC1 ZINC000335679247 379709791 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CCS[C@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000174912317 379960910 /nfs/dbraw/zinc/96/09/10/379960910.db2.gz SANDNDAJNHPAFX-QWRGUYRKSA-N -1 1 280.393 2.581 20 0 CFADMM C[C@]1(F)CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000335866230 380019064 /nfs/dbraw/zinc/01/90/64/380019064.db2.gz BGTPOFNBNWARSR-LBPRGKRZSA-N -1 1 257.692 2.620 20 0 CFADMM Cc1ncc(CN(C)C(=O)c2cc(F)ccc2[O-])s1 ZINC000175199889 380019393 /nfs/dbraw/zinc/01/93/93/380019393.db2.gz VRXUQOWQXCZNDF-UHFFFAOYSA-N -1 1 280.324 2.568 20 0 CFADMM O=C(C[C@H]1CCCC[C@@H]1O)Nc1ccc([O-])c(F)c1F ZINC000335218365 380026063 /nfs/dbraw/zinc/02/60/63/380026063.db2.gz RZHYYQGOQRVEQM-SCZZXKLOSA-N -1 1 285.290 2.550 20 0 CFADMM CO[C@@H]1CCC[C@H](C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000335219915 380026815 /nfs/dbraw/zinc/02/68/15/380026815.db2.gz VIIZJONFFDVWRB-DTWKUNHWSA-N -1 1 285.290 2.814 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCOC2(CCCCC2)C1 ZINC000175255049 380030330 /nfs/dbraw/zinc/03/03/30/380030330.db2.gz IGBSAAPFITUKRI-UHFFFAOYSA-N -1 1 293.338 2.707 20 0 CFADMM CN(C[C@H]1CCOC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000175433779 380064562 /nfs/dbraw/zinc/06/45/62/380064562.db2.gz FDVUAPQGHOAEQW-GFCCVEGCSA-N -1 1 285.343 2.654 20 0 CFADMM [O-]c1ccc(-c2noc([C@@H]3CCSC3)n2)cc1F ZINC000335244810 380071322 /nfs/dbraw/zinc/07/13/22/380071322.db2.gz BSJFVUSYAQFXDA-MRVPVSSYSA-N -1 1 266.297 2.802 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H](CC2CC2)C1 ZINC000335917412 380104420 /nfs/dbraw/zinc/10/44/20/380104420.db2.gz NUAKAAKOSFPAEP-NSHDSACASA-N -1 1 263.312 2.794 20 0 CFADMM O=C(NCC1CCC(F)(F)CC1)c1ccc2[nH]nnc2c1 ZINC000335935330 380126318 /nfs/dbraw/zinc/12/63/18/380126318.db2.gz UTPTYVPPIHRIDI-UHFFFAOYSA-N -1 1 294.305 2.513 20 0 CFADMM O=C(c1ncccc1[O-])N1Cc2ccccc2C2(CCC2)C1 ZINC000376037739 296306096 /nfs/dbraw/zinc/30/60/96/296306096.db2.gz FQFBZJWQBIZWHH-UHFFFAOYSA-N -1 1 294.354 2.865 20 0 CFADMM O=C(c1c(F)ccc([O-])c1F)N1CC(C2CCCC2)C1 ZINC000336003534 380222875 /nfs/dbraw/zinc/22/28/75/380222875.db2.gz SIAAYPBCLOFXFT-UHFFFAOYSA-N -1 1 281.302 2.933 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ZINC000186362241 381891198 /nfs/dbraw/zinc/89/11/98/381891198.db2.gz VCNXASLJYMCUGH-QMMMGPOBSA-N -1 1 294.351 2.830 20 0 CFADMM CCCc1cc(=O)[n-]c(SC[C@@H](CC)OC)n1 ZINC000416888788 381959826 /nfs/dbraw/zinc/95/98/26/381959826.db2.gz QKJJIWSVNZXLPN-SNVBAGLBSA-N -1 1 256.371 2.652 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2cnccc2OC)n1 ZINC000343827028 381968028 /nfs/dbraw/zinc/96/80/28/381968028.db2.gz CPRBHSFJKCQNRT-UHFFFAOYSA-N -1 1 291.376 2.831 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)c3cscn3)[nH][n-]2)s1 ZINC000343784122 381940401 /nfs/dbraw/zinc/94/04/01/381940401.db2.gz UIFLLNJXLHFOKW-UHFFFAOYSA-N -1 1 290.373 2.577 20 0 CFADMM COc1cccc([N-]S(=O)(=O)CCC(C)(C)C)c1O ZINC000357074564 381998867 /nfs/dbraw/zinc/99/88/67/381998867.db2.gz MWDZRJWQMPUCSJ-UHFFFAOYSA-N -1 1 287.381 2.579 20 0 CFADMM Cc1cccc(C)c1OCCC(=O)[N-]O[C@@H]1CCCCO1 ZINC000299544462 381976657 /nfs/dbraw/zinc/97/66/57/381976657.db2.gz RCBBPNHJQAFWOE-OAHLLOKOSA-N -1 1 293.363 2.647 20 0 CFADMM C[C@H](C(=O)[N-]OC1CCCC1)c1ccc2c(c1)OCO2 ZINC000293237345 382042989 /nfs/dbraw/zinc/04/29/89/382042989.db2.gz QSUUVQAWUXJGSH-JTQLQIEISA-N -1 1 277.320 2.509 20 0 CFADMM C[C@@H]1CCOCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000374989314 382063682 /nfs/dbraw/zinc/06/36/82/382063682.db2.gz JFXVTZMQNKRJCM-GFCCVEGCSA-N -1 1 285.343 2.796 20 0 CFADMM Cc1[nH]c2ccccc2c1CC(=O)[N-]O[C@H]1CCCCO1 ZINC000299710595 382032068 /nfs/dbraw/zinc/03/20/68/382032068.db2.gz PJYQVXSNQFFBGD-INIZCTEOSA-N -1 1 288.347 2.593 20 0 CFADMM C/C=C/C[C@H](CO)NC(=O)c1ccc2ccccc2c1[O-] ZINC000187173697 382120504 /nfs/dbraw/zinc/12/05/04/382120504.db2.gz FFBCBVRECNFEBM-YWVDXFKGSA-N -1 1 285.343 2.602 20 0 CFADMM CSc1ccccc1S(=O)(=O)[N-]c1[nH]nc(C)c1C ZINC000187000518 382074306 /nfs/dbraw/zinc/07/43/06/382074306.db2.gz JYZFPWDXNGTRAV-UHFFFAOYSA-N -1 1 297.405 2.549 20 0 CFADMM CC(C)(C)c1cc(C(=O)[N-]c2ncn(C(C)(C)C)n2)no1 ZINC000344052115 382095920 /nfs/dbraw/zinc/09/59/20/382095920.db2.gz RMJOXBCSYXMUMB-UHFFFAOYSA-N -1 1 291.355 2.571 20 0 CFADMM COc1ccccc1[N-]S(=O)(=O)CCc1cccs1 ZINC000357500908 382198008 /nfs/dbraw/zinc/19/80/08/382198008.db2.gz ZKMNFVNJWFKOMM-UHFFFAOYSA-N -1 1 297.401 2.741 20 0 CFADMM CCCC[C@H](NCc1cccc([O-])c1Cl)C(=O)OC ZINC000293667204 382224664 /nfs/dbraw/zinc/22/46/64/382224664.db2.gz QBRTYONLWUJISK-NSHDSACASA-N -1 1 285.771 2.867 20 0 CFADMM O=C(N[C@H]1CCC[C@H]1CCO)c1ccc2ccccc2c1[O-] ZINC000187868470 382285658 /nfs/dbraw/zinc/28/56/58/382285658.db2.gz JGHSYMYNOMYWPG-BBRMVZONSA-N -1 1 299.370 2.826 20 0 CFADMM Cc1cnc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c([O-])c1 ZINC000357639508 382261978 /nfs/dbraw/zinc/26/19/78/382261978.db2.gz MNGZIYICJDSBQZ-ZIAGYGMSSA-N -1 1 282.343 2.629 20 0 CFADMM CCOc1cc(C(=O)NOCC2CC2)cc(Cl)c1[O-] ZINC000293766779 382271143 /nfs/dbraw/zinc/27/11/43/382271143.db2.gz MHSQWOCTLKUEEP-UHFFFAOYSA-N -1 1 285.727 2.516 20 0 CFADMM COCCc1nsc([N-]c2cnn([C@@H](C)C3CC3)c2)n1 ZINC000302806314 382323443 /nfs/dbraw/zinc/32/34/43/382323443.db2.gz FUDLCPKIWHKCDG-VIFPVBQESA-N -1 1 293.396 2.638 20 0 CFADMM CCCc1nc(C)c(CNC(=O)c2c([O-])cccc2F)o1 ZINC000293960655 382353757 /nfs/dbraw/zinc/35/37/57/382353757.db2.gz TUZSQRBNFMLFKM-UHFFFAOYSA-N -1 1 292.310 2.710 20 0 CFADMM Cc1cnc(CSc2nc(C3CC3)cc(=O)[n-]2)o1 ZINC000188138493 382354457 /nfs/dbraw/zinc/35/44/57/382354457.db2.gz BORHAQGYRTWILM-UHFFFAOYSA-N -1 1 263.322 2.648 20 0 CFADMM COC[C@H]1CCCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000377840823 382355830 /nfs/dbraw/zinc/35/58/30/382355830.db2.gz VZWYICCISNDIHR-JTQLQIEISA-N -1 1 299.317 2.559 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])[C@@H]1C ZINC000293970901 382360687 /nfs/dbraw/zinc/36/06/87/382360687.db2.gz GPEHKHTUYAHHAM-HTQZYQBOSA-N -1 1 284.153 2.635 20 0 CFADMM CC[C@@H]1C[C@@H](N=c2[n-]c(C(F)(F)F)cs2)CCO1 ZINC000420621190 382430594 /nfs/dbraw/zinc/43/05/94/382430594.db2.gz RMIYSDMFABARIG-JGVFFNPUSA-N -1 1 280.315 2.953 20 0 CFADMM O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cc2ccccc2cc1[O-] ZINC000304641063 382413734 /nfs/dbraw/zinc/41/37/34/382413734.db2.gz UTJALKSDULUGOR-IUODEOHRSA-N -1 1 299.370 2.826 20 0 CFADMM CCN1CCC[C@H](N=c2nc(C3CCCC3)[n-]s2)C1 ZINC000420592081 382415298 /nfs/dbraw/zinc/41/52/98/382415298.db2.gz YVGWBBIQXYJVTD-LBPRGKRZSA-N -1 1 280.441 2.514 20 0 CFADMM C[C@@H]1CN(C2CC2)C[C@@H]1N=c1nc(C2CCCC2)[n-]s1 ZINC000420596276 382417588 /nfs/dbraw/zinc/41/75/88/382417588.db2.gz HGSXHGMTACNQJO-MFKMUULPSA-N -1 1 292.452 2.512 20 0 CFADMM O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc2ccccc2c1[O-] ZINC000188761164 382471540 /nfs/dbraw/zinc/47/15/40/382471540.db2.gz YCNUNUYZIXONJN-BMFZPTHFSA-N -1 1 297.354 2.843 20 0 CFADMM C[C@@H]1[C@@H](C)CN1C(=O)c1ccc(Br)cc1[O-] ZINC000294222777 382465922 /nfs/dbraw/zinc/46/59/22/382465922.db2.gz RLCJMYSATLMKNV-JGVFFNPUSA-N -1 1 284.153 2.635 20 0 CFADMM CC[C@H](C)[C@@H](CNC(=O)c1cc(Cl)ccc1[O-])OC ZINC000381435221 382519653 /nfs/dbraw/zinc/51/96/53/382519653.db2.gz XFJLMUWPUQXWFG-TVQRCGJNSA-N -1 1 285.771 2.837 20 0 CFADMM C[N@@H+](CCOCc1ccccc1)Cc1cc(C(=O)[O-])co1 ZINC000383727726 382547115 /nfs/dbraw/zinc/54/71/15/382547115.db2.gz XLDSAUVEIMOICL-UHFFFAOYSA-N -1 1 289.331 2.626 20 0 CFADMM CN(CCOCc1ccccc1)Cc1cc(C(=O)[O-])co1 ZINC000383727726 382547120 /nfs/dbraw/zinc/54/71/20/382547120.db2.gz XLDSAUVEIMOICL-UHFFFAOYSA-N -1 1 289.331 2.626 20 0 CFADMM COC1CC([N@H+](C)Cc2cccc(O)c2Cl)C1 ZINC000353459789 382548839 /nfs/dbraw/zinc/54/88/39/382548839.db2.gz IZIGDOPDWIKTBQ-UHFFFAOYSA-N -1 1 255.745 2.655 20 0 CFADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])C(C)(F)F ZINC000389524309 382615028 /nfs/dbraw/zinc/61/50/28/382615028.db2.gz KERQTPKYRRCJOW-LURJTMIESA-N -1 1 263.671 2.819 20 0 CFADMM CC[C@H](C)Oc1ccc(C(=O)Nc2ccncc2[O-])cc1 ZINC000358344615 382580060 /nfs/dbraw/zinc/58/00/60/382580060.db2.gz XDUMFYLOJQIKIW-NSHDSACASA-N -1 1 286.331 2.639 20 0 CFADMM O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1cncc([O-])c1 ZINC000190073279 382652697 /nfs/dbraw/zinc/65/26/97/382652697.db2.gz UEIQIUGLRPFGRC-GOEBONIOSA-N -1 1 296.370 2.928 20 0 CFADMM CCc1ccc(C(=O)Nc2cc(C)ns2)c([O-])c1 ZINC000190549368 382673071 /nfs/dbraw/zinc/67/30/71/382673071.db2.gz 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DJJFYVRVTKAJEK-QMMMGPOBSA-N -1 1 296.392 2.882 20 0 CFADMM C[C@]1(NC(=O)c2cc3ccccc3cc2[O-])CCCOC1 ZINC000221702621 382799166 /nfs/dbraw/zinc/79/91/66/382799166.db2.gz SYWKBZKAIFRGRF-KRWDZBQOSA-N -1 1 285.343 2.844 20 0 CFADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000225049453 382812940 /nfs/dbraw/zinc/81/29/40/382812940.db2.gz ZPHHOGQLYPNFAT-UGFHNGPFSA-N -1 1 276.380 2.978 20 0 CFADMM CCc1nc(SCCC2CCOCC2)[n-]c(=O)c1C ZINC000576292090 382817822 /nfs/dbraw/zinc/81/78/22/382817822.db2.gz BJXMXHCQFXRKRL-UHFFFAOYSA-N -1 1 282.409 2.962 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000226519172 382829286 /nfs/dbraw/zinc/82/92/86/382829286.db2.gz QQDKAYUEYPKCJJ-GXTWGEPZSA-N -1 1 291.322 2.505 20 0 CFADMM CCCc1nc(C(=O)[N-]c2c(C)onc2CC)co1 ZINC000337802272 382866434 /nfs/dbraw/zinc/86/64/34/382866434.db2.gz IHYQGMCCCLYOPA-UHFFFAOYSA-N -1 1 263.297 2.738 20 0 CFADMM CO[C@H](C)c1nc(=N[C@@H](C)CCC2CC2)s[n-]1 ZINC000337888298 382872679 /nfs/dbraw/zinc/87/26/79/382872679.db2.gz ZKMHEWYJYSJZRB-DTWKUNHWSA-N -1 1 255.387 2.658 20 0 CFADMM CC[C@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000421661948 382888165 /nfs/dbraw/zinc/88/81/65/382888165.db2.gz JJQACJPTPIBRAI-QWRGUYRKSA-N -1 1 283.755 2.733 20 0 CFADMM C[C@@H](NC(=O)c1ncccc1[O-])c1c(F)cccc1F ZINC000337986124 382889314 /nfs/dbraw/zinc/88/93/14/382889314.db2.gz AFCOUTWQEXMRRG-MRVPVSSYSA-N -1 1 278.258 2.556 20 0 CFADMM COc1cc(C(=O)N(C)CC(C)C)cc(Cl)c1[O-] ZINC000442643210 382940052 /nfs/dbraw/zinc/94/00/52/382940052.db2.gz GINJWYRXRGAUKX-UHFFFAOYSA-N -1 1 271.744 2.782 20 0 CFADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)C(C)C ZINC000442664424 382942341 /nfs/dbraw/zinc/94/23/41/382942341.db2.gz ZLCYKZGTWWVFCJ-UHFFFAOYSA-N -1 1 271.744 2.925 20 0 CFADMM CCC[C@H](C(=O)[O-])N1CCC[C@@H]1c1ccc(COC)o1 ZINC000578660697 382942709 /nfs/dbraw/zinc/94/27/09/382942709.db2.gz RFUUEMYDBBKFKL-CHWSQXEVSA-N -1 1 281.352 2.816 20 0 CFADMM CCc1cccc2c1OCC[C@@H]2NC(=O)c1ncccc1[O-] ZINC000338140218 382930938 /nfs/dbraw/zinc/93/09/38/382930938.db2.gz IIMOKUWKHJVBMC-ZDUSSCGKSA-N -1 1 298.342 2.603 20 0 CFADMM C[C@H]1c2ccccc2CCN1Cc1ccc(C(=O)[O-])cn1 ZINC000579364932 383008548 /nfs/dbraw/zinc/00/85/48/383008548.db2.gz FWBZOGKCVQREQJ-LBPRGKRZSA-N -1 1 282.343 2.899 20 0 CFADMM CC(C)OC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000338256980 382966142 /nfs/dbraw/zinc/96/61/42/382966142.db2.gz XCOASGIETJIZQH-UHFFFAOYSA-N -1 1 280.711 2.797 20 0 CFADMM C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000246249738 383069912 /nfs/dbraw/zinc/06/99/12/383069912.db2.gz JSSDRMMABXGHKR-WCQYABFASA-N -1 1 286.331 2.809 20 0 CFADMM COC(=O)c1nc[nH]c1NC(=O)c1ccc2ccccc2c1 ZINC000550075170 383019162 /nfs/dbraw/zinc/01/91/62/383019162.db2.gz PWMZICKDHGWZJZ-UHFFFAOYSA-N -1 1 295.298 2.602 20 0 CFADMM CCOc1cc(C(=O)N2CC(CC)C2)cc(Cl)c1[O-] ZINC000457314160 383020579 /nfs/dbraw/zinc/02/05/79/383020579.db2.gz YMXMZBRYVZKTHX-UHFFFAOYSA-N -1 1 283.755 2.926 20 0 CFADMM CSCCCCC[N-]S(=O)(=O)c1sccc1F ZINC000338963106 383102519 /nfs/dbraw/zinc/10/25/19/383102519.db2.gz YXIWJMFRYOQYIA-UHFFFAOYSA-N -1 1 297.442 2.699 20 0 CFADMM CC1(C)CC(CNC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000584557032 383112287 /nfs/dbraw/zinc/11/22/87/383112287.db2.gz HVZOSVRPWLEINF-UHFFFAOYSA-N -1 1 269.291 2.836 20 0 CFADMM O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1c([O-])cccc1F ZINC000634431156 383193291 /nfs/dbraw/zinc/19/32/91/383193291.db2.gz CRIAUJHCPUZNRD-HIFRSBDPSA-N -1 1 293.338 2.609 20 0 CFADMM C[C@@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000424614201 383210736 /nfs/dbraw/zinc/21/07/36/383210736.db2.gz VXXXWUBCFZPLAM-MNOVXSKESA-N -1 1 285.351 2.632 20 0 CFADMM CC(C)(CC[N-]S(=O)(=O)c1sccc1F)C1CC1 ZINC000339107689 383151838 /nfs/dbraw/zinc/15/18/38/383151838.db2.gz PBMPAHZJNCMVAM-UHFFFAOYSA-N -1 1 291.413 2.992 20 0 CFADMM C[C@H]1CCc2[n-]n(Cc3cccc(F)c3)c(=O)c2C1 ZINC000634590410 383250748 /nfs/dbraw/zinc/25/07/48/383250748.db2.gz YVISTUNTIRVPHA-GWCFXTLKSA-N -1 1 260.312 2.960 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3cccc4ncccc43)c(=O)c21 ZINC000634591346 383252575 /nfs/dbraw/zinc/25/25/75/383252575.db2.gz ZREUWZVUCPUPIU-BONVTDFDSA-N -1 1 265.316 2.984 20 0 CFADMM CCc1c(C)[n-]n(-c2ccc(F)c(F)c2F)c1=O ZINC000634594834 383255597 /nfs/dbraw/zinc/25/55/97/383255597.db2.gz IUHAHQQFKVTFPA-ZETCQYMHSA-N -1 1 256.227 2.853 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3ccc(F)c(F)c3F)c(=O)c21 ZINC000634594899 383256269 /nfs/dbraw/zinc/25/62/69/383256269.db2.gz KDCFRZIFOTYOMT-WKEGUHRASA-N -1 1 268.238 2.853 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3nnc(-c4ccccc4)s3)c(=O)c21 ZINC000634598602 383260531 /nfs/dbraw/zinc/26/05/31/383260531.db2.gz OPEXNOOAXFBLTH-BXKDBHETSA-N -1 1 298.371 2.954 20 0 CFADMM CCCc1c(C)[n-]n(-c2cnnc3ccccc32)c1=O ZINC000634604904 383267176 /nfs/dbraw/zinc/26/71/76/383267176.db2.gz VWKMNEFEXPXTTA-NSHDSACASA-N -1 1 268.320 2.769 20 0 CFADMM CCCc1[n-]n(CCc2ccccn2)c(=O)c1CC ZINC000634615057 383275808 /nfs/dbraw/zinc/27/58/08/383275808.db2.gz WGUKTQUVWMQNKO-CYBMUJFWSA-N -1 1 259.353 2.649 20 0 CFADMM CC(C)OCCn1[n-]c2c(c1=O)CCCc1ccccc1-2 ZINC000634619966 383278980 /nfs/dbraw/zinc/27/89/80/383278980.db2.gz OXRAEURNWWEEQG-HNNXBMFYSA-N -1 1 286.375 2.610 20 0 CFADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H]1C[C@H]1C(F)(F)F ZINC000634508367 383217685 /nfs/dbraw/zinc/21/76/85/383217685.db2.gz VTACGYZWJNTBFH-VXNVDRBHSA-N -1 1 293.672 2.655 20 0 CFADMM CCC[N@@H+](CC)C[C@H](C)Nc1nc(C(C)C)ns1 ZINC000519571245 383225580 /nfs/dbraw/zinc/22/55/80/383225580.db2.gz GUEVKXIATITWMB-NSHDSACASA-N -1 1 270.446 2.616 20 0 CFADMM Cc1nc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)co1 ZINC000519773753 383233832 /nfs/dbraw/zinc/23/38/32/383233832.db2.gz LJXCLRVQFWUKDY-UHFFFAOYSA-N -1 1 291.254 2.790 20 0 CFADMM CCCCc1cc(=O)n(-c2ccc3n[nH]cc3c2)[n-]1 ZINC000634620896 383280614 /nfs/dbraw/zinc/28/06/14/383280614.db2.gz SLIIXQHALYJKPM-UHFFFAOYSA-N -1 1 256.309 2.846 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)[C@@]3(C)C[C@H]3F)[nH][n-]2)s1 ZINC000425157500 383334715 /nfs/dbraw/zinc/33/47/15/383334715.db2.gz OHMUUJAEQVZDCM-MFKMUULPSA-N -1 1 279.340 2.555 20 0 CFADMM COc1ccc([C@H](C)N(C)Cc2oncc2C(=O)[O-])cc1 ZINC000568059768 383349658 /nfs/dbraw/zinc/34/96/58/383349658.db2.gz KTPKUJOYQLZIPS-JTQLQIEISA-N -1 1 290.319 2.574 20 0 CFADMM CCc1c(=O)n(C23CC(C2)C3)[n-]c1-c1cccc(OC)c1 ZINC000634624900 383284054 /nfs/dbraw/zinc/28/40/54/383284054.db2.gz UGTPYQPEXDITEE-WKXXDYOBSA-N -1 1 284.359 2.820 20 0 CFADMM CC1(C)CCCC[C@H]1n1[n-]c(-c2ccc[nH]2)cc1=O ZINC000634625853 383284649 /nfs/dbraw/zinc/28/46/49/383284649.db2.gz PEQFGAVNVKGLRP-CYBMUJFWSA-N -1 1 259.353 2.920 20 0 CFADMM Cc1c(=O)n(C[C@@H]2CCSC2)[n-]c1-c1ccccc1 ZINC000634628921 383287087 /nfs/dbraw/zinc/28/70/87/383287087.db2.gz IMOIBTWSIFINIA-RYUDHWBXSA-N -1 1 274.389 2.622 20 0 CFADMM CCc1c(=O)n(-c2cncnc2)[n-]c1-c1cccc(C)c1 ZINC000634628163 383287138 /nfs/dbraw/zinc/28/71/38/383287138.db2.gz SGDPHJDGBPMKQM-AWEZNQCLSA-N -1 1 280.331 2.562 20 0 CFADMM O=c1c2c([n-]n1C[C@@H]1CCSC1)-c1ccccc1CC2 ZINC000634629436 383288463 /nfs/dbraw/zinc/28/84/63/383288463.db2.gz URPZSIKULKKRFF-FZMZJTMJSA-N -1 1 286.400 2.548 20 0 CFADMM CCCc1[n-]n([C@H](C)C(F)(F)F)c(=O)c1CC ZINC000634631649 383290399 /nfs/dbraw/zinc/29/03/99/383290399.db2.gz ZIHUJBLBGHJZQK-HTQZYQBOSA-N -1 1 250.264 2.962 20 0 CFADMM CC(C)[C@@H]1CCc2[n-]n([C@@H]3CCOC3(C)C)c(=O)c2C1 ZINC000634632533 383290452 /nfs/dbraw/zinc/29/04/52/383290452.db2.gz UHUUWMCHZXTVGI-MBNYWOFBSA-N -1 1 278.396 2.824 20 0 CFADMM CC(C)[C@@H]1CCc2[n-]n([C@H]3CCOC3(C)C)c(=O)c2C1 ZINC000634632532 383290596 /nfs/dbraw/zinc/29/05/96/383290596.db2.gz UHUUWMCHZXTVGI-DYEKYZERSA-N -1 1 278.396 2.824 20 0 CFADMM CC1(C)OCC[C@@H]1n1[n-]c2c(c1=O)CCCc1ccccc1-2 ZINC000634632614 383291047 /nfs/dbraw/zinc/29/10/47/383291047.db2.gz VLOCAVRPTBYUHK-CABCVRRESA-N -1 1 298.386 2.753 20 0 CFADMM CO[C@@H]1CCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000521258362 383292599 /nfs/dbraw/zinc/29/25/99/383292599.db2.gz ZBNGDUQRIRLLSB-LLVKDONJSA-N -1 1 283.755 2.649 20 0 CFADMM O=C([O-])c1ccc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000263407704 304242464 /nfs/dbraw/zinc/24/24/64/304242464.db2.gz KISQIZCMDDTGFR-NVXWUHKLSA-N -1 1 287.359 2.528 20 0 CFADMM CC(=O)c1[n-]c(=NCc2ccc(Cl)cn2)sc1C ZINC000450428614 383406443 /nfs/dbraw/zinc/40/64/43/383406443.db2.gz WTLARTSJECULLY-UHFFFAOYSA-N -1 1 281.768 2.737 20 0 CFADMM COc1ccc([C@@H](C)N(C)Cc2oncc2C(=O)[O-])cc1 ZINC000568059769 383350319 /nfs/dbraw/zinc/35/03/19/383350319.db2.gz KTPKUJOYQLZIPS-SNVBAGLBSA-N -1 1 290.319 2.574 20 0 CFADMM C[C@H](CN(C)[C@H](C)c1nc(-c2cccs2)no1)C(=O)[O-] ZINC000568060786 383351344 /nfs/dbraw/zinc/35/13/44/383351344.db2.gz OCPXPOCYXTUGJM-RKDXNWHRSA-N -1 1 295.364 2.512 20 0 CFADMM C[C@H]1C[C@@H](c2ccccc2)CN1Cc1nc(C(=O)[O-])co1 ZINC000568062908 383352017 /nfs/dbraw/zinc/35/20/17/383352017.db2.gz UVXKGYCTJIYOTC-WCQYABFASA-N -1 1 286.331 2.751 20 0 CFADMM Cc1oc([C@@H](C)N(C)CCOCC2CC2)cc1C(=O)[O-] ZINC000568067530 383353882 /nfs/dbraw/zinc/35/38/82/383353882.db2.gz XZSUQEPISGNHTA-SNVBAGLBSA-N -1 1 281.352 2.706 20 0 CFADMM CO[C@@H]1CCCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000568098741 383358948 /nfs/dbraw/zinc/35/89/48/383358948.db2.gz QLBHHQKKQFDZFF-SNVBAGLBSA-N -1 1 283.755 2.649 20 0 CFADMM O=C(Cc1ccccc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000340219277 383384349 /nfs/dbraw/zinc/38/43/49/383384349.db2.gz PWVQCKBZSSVBKX-UHFFFAOYSA-N -1 1 293.326 2.964 20 0 CFADMM CCc1nc(C)c(CN(C)C2(C(=O)[O-])CCCCC2)o1 ZINC000569260395 383483695 /nfs/dbraw/zinc/48/36/95/383483695.db2.gz VCTTYQRPUSTFDS-UHFFFAOYSA-N -1 1 280.368 2.765 20 0 CFADMM C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C[C@H]1C ZINC000253556487 383463276 /nfs/dbraw/zinc/46/32/76/383463276.db2.gz BHILSMYUYIIQKM-NXEZZACHSA-N -1 1 277.393 2.875 20 0 CFADMM COCc1nc(=NC[C@H]2CCCC(C)(C)C2)s[n-]1 ZINC000450924868 383551447 /nfs/dbraw/zinc/55/14/47/383551447.db2.gz GZJBZOOJYQDESW-JTQLQIEISA-N -1 1 269.414 2.735 20 0 CFADMM C[C@@H]1CCN(Cc2cc(C(=O)[O-])nn2C)[C@H]2CCCC[C@@H]12 ZINC000635299721 383526133 /nfs/dbraw/zinc/52/61/33/383526133.db2.gz WOCFECFPWAMVTB-ZLDLUXBVSA-N -1 1 291.395 2.519 20 0 CFADMM Cc1cnc(C(=O)NC2(C(F)F)CCCCC2)c([O-])c1 ZINC000341142089 383581350 /nfs/dbraw/zinc/58/13/50/383581350.db2.gz XFWLUKJAMOBKLB-UHFFFAOYSA-N -1 1 284.306 2.793 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2[nH]cnc2c1 ZINC000488525224 383555704 /nfs/dbraw/zinc/55/57/04/383555704.db2.gz OLELCQDTWHVSOS-UHFFFAOYSA-N -1 1 271.251 2.660 20 0 CFADMM CN(C)c1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000488534740 383557084 /nfs/dbraw/zinc/55/70/84/383557084.db2.gz RZKNOVQPTINGJO-UHFFFAOYSA-N -1 1 274.295 2.850 20 0 CFADMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@H]3CC3(F)F)[nH][n-]2)c1 ZINC000450967574 383572105 /nfs/dbraw/zinc/57/21/05/383572105.db2.gz LIZKDCKGLKPKEQ-SECBINFHSA-N -1 1 295.264 2.540 20 0 CFADMM O=C([O-])CCCN1CCc2cccc(C(F)(F)F)c2C1 ZINC000528793298 383640603 /nfs/dbraw/zinc/64/06/03/383640603.db2.gz KKRVDGHVLSBLQJ-UHFFFAOYSA-N -1 1 287.281 2.928 20 0 CFADMM CC1CCC(CNC(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000280865756 195007405 /nfs/dbraw/zinc/00/74/05/195007405.db2.gz DVZSMDOXLNLPAR-UHFFFAOYSA-N -1 1 275.348 2.517 20 0 CFADMM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cncc([O-])c1 ZINC000280883540 195014940 /nfs/dbraw/zinc/01/49/40/195014940.db2.gz ZNIKBTACHDEOCF-YEORSEQZSA-N -1 1 286.306 2.602 20 0 CFADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccn(-c2ccccc2)n1 ZINC000263519913 383675668 /nfs/dbraw/zinc/67/56/68/383675668.db2.gz QMJFCLDODYOAAJ-KBPBESRZSA-N -1 1 299.374 2.557 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC(Cc2ccco2)C1 ZINC000529858023 383760877 /nfs/dbraw/zinc/76/08/77/383760877.db2.gz MIQWSKCRIVAJME-UHFFFAOYSA-N -1 1 291.734 2.953 20 0 CFADMM C[C@H]1C[C@H](NC(=O)N=c2[n-]sc3ccccc32)CS1 ZINC000640337157 383765463 /nfs/dbraw/zinc/76/54/63/383765463.db2.gz GMPOUDDZPIYEAD-IUCAKERBSA-N -1 1 293.417 2.734 20 0 CFADMM CC1(NC(=O)N=c2[n-]sc3ccccc32)CC=CC1 ZINC000640337859 383765617 /nfs/dbraw/zinc/76/56/17/383765617.db2.gz MRMQAUPTRVTTJA-UHFFFAOYSA-N -1 1 273.361 2.948 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)N1CC(CC2CC2)C1 ZINC000640338714 383766059 /nfs/dbraw/zinc/76/60/59/383766059.db2.gz CRDNXQBFFQAEQR-UHFFFAOYSA-N -1 1 287.388 2.982 20 0 CFADMM COC(C)(C)CN(C)C(=O)N=c1[n-]sc2ccccc21 ZINC000640341225 383766971 /nfs/dbraw/zinc/76/69/71/383766971.db2.gz GBOPCLIUNUQMJZ-UHFFFAOYSA-N -1 1 293.392 2.607 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)NCCC1CC1 ZINC000640341520 383767089 /nfs/dbraw/zinc/76/70/89/383767089.db2.gz UVWGYUCXDMYOQT-UHFFFAOYSA-N -1 1 261.350 2.640 20 0 CFADMM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1ccoc1Cl ZINC000636357571 383773962 /nfs/dbraw/zinc/77/39/62/383773962.db2.gz HGEYKTLLGYPJQC-ZETCQYMHSA-N -1 1 299.739 2.888 20 0 CFADMM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000645879945 383777627 /nfs/dbraw/zinc/77/76/27/383777627.db2.gz YGGXQNHZZDMREF-HTRCEHHLSA-N -1 1 297.854 2.574 20 0 CFADMM CCCN(CC(=O)[O-])c1ccnc2cc(F)c(OC)cc21 ZINC000263391426 383662854 /nfs/dbraw/zinc/66/28/54/383662854.db2.gz GIEHRXMCYHHTKB-UHFFFAOYSA-N -1 1 292.310 2.684 20 0 CFADMM CC(C)(C)c1ncc(CN[C@@H](C(=O)[O-])c2ccccc2)cn1 ZINC000263433189 383666067 /nfs/dbraw/zinc/66/60/67/383666067.db2.gz SUXXZVDBMUWXEY-CQSZACIVSA-N -1 1 299.374 2.690 20 0 CFADMM CCN(Cc1cccc(F)c1)Cc1ccc(C(=O)[O-])cn1 ZINC000572653146 383802807 /nfs/dbraw/zinc/80/28/07/383802807.db2.gz DPIKSWOHXMVLCL-UHFFFAOYSA-N -1 1 288.322 2.941 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CCC[C@@H]2C)c1 ZINC000436513393 383827178 /nfs/dbraw/zinc/82/71/78/383827178.db2.gz NDDRVPAJLYHDAF-QWRGUYRKSA-N -1 1 291.347 2.944 20 0 CFADMM COC(=O)c1nc[nH]c1NC(=O)[C@H](C)CC1CCCCC1 ZINC000572778419 383815953 /nfs/dbraw/zinc/81/59/53/383815953.db2.gz HXSALLKWYCIPCI-SNVBAGLBSA-N -1 1 293.367 2.741 20 0 CFADMM O=C(NCCc1cccc2[nH]ccc21)c1cc(F)ccc1[O-] ZINC000436514937 383827688 /nfs/dbraw/zinc/82/76/88/383827688.db2.gz SMKLVJOVLKWUKD-UHFFFAOYSA-N -1 1 298.317 2.985 20 0 CFADMM CCc1ccc(CN=c2[n-]nc(C)n2C2CC2)s1 ZINC000572428656 383782048 /nfs/dbraw/zinc/78/20/48/383782048.db2.gz HCTJMMONMGKGJZ-UHFFFAOYSA-N -1 1 262.382 2.579 20 0 CFADMM O=C(N[C@@H]1CCCn2nccc21)c1cc(Cl)ccc1[O-] ZINC000636380916 383784215 /nfs/dbraw/zinc/78/42/15/383784215.db2.gz IQOTVFMWILAYCF-LLVKDONJSA-N -1 1 291.738 2.507 20 0 CFADMM CCNC(=O)Nc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000436720113 383879543 /nfs/dbraw/zinc/87/95/43/383879543.db2.gz RRAYCXFNCHOORY-UHFFFAOYSA-N -1 1 299.330 2.786 20 0 CFADMM C[C@@H](Cc1cccc(O)c1)NC(=O)c1ccc([O-])cc1F ZINC000436614828 383854391 /nfs/dbraw/zinc/85/43/91/383854391.db2.gz BGLFLDCGLKACKL-JTQLQIEISA-N -1 1 289.306 2.598 20 0 CFADMM O=C(Nc1cccc2ncccc21)C(=O)c1ccc([O-])cc1 ZINC000436658085 383865665 /nfs/dbraw/zinc/86/56/65/383865665.db2.gz KXKWDPLHOXIDKT-UHFFFAOYSA-N -1 1 292.294 2.762 20 0 CFADMM O=C(N[C@H](CO)CC1CCCC1)c1cc(Cl)ccc1[O-] ZINC000436655796 383866662 /nfs/dbraw/zinc/86/66/62/383866662.db2.gz NRRGYNZZRPLXDC-LBPRGKRZSA-N -1 1 297.782 2.717 20 0 CFADMM C[C@H](C[C@H]1CCCO1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436717764 383880785 /nfs/dbraw/zinc/88/07/85/383880785.db2.gz CWEQWASKVKOQEH-MWLCHTKSSA-N -1 1 283.755 2.733 20 0 CFADMM O=C(Nc1ccccc1-n1ccnc1)c1ccc(O)cc1[O-] ZINC000436674136 383868182 /nfs/dbraw/zinc/86/81/82/383868182.db2.gz NQCYYWIXANITNJ-UHFFFAOYSA-N -1 1 295.298 2.536 20 0 CFADMM Cc1cc(N(C)C)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC000436675818 383871183 /nfs/dbraw/zinc/87/11/83/383871183.db2.gz YJRZXIJMNYYNHS-UHFFFAOYSA-N -1 1 286.331 2.725 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)c2c(C)coc2C)c1 ZINC000436681673 383871315 /nfs/dbraw/zinc/87/13/15/383871315.db2.gz NTENJHNSVWUXKM-UHFFFAOYSA-N -1 1 289.287 2.641 20 0 CFADMM O=C(NCC1(C(F)(F)F)CCC1)c1cc(F)ccc1[O-] ZINC000436685253 383874265 /nfs/dbraw/zinc/87/42/65/383874265.db2.gz LFCMNWFLVQJMQD-UHFFFAOYSA-N -1 1 291.244 2.994 20 0 CFADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)[C@@H](C)c1ccccc1 ZINC000436706630 383875751 /nfs/dbraw/zinc/87/57/51/383875751.db2.gz VOPASJOBNDRVDU-CHWSQXEVSA-N -1 1 297.354 2.883 20 0 CFADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@H]3CC[C@H]3C)c12 ZINC000573124214 383875968 /nfs/dbraw/zinc/87/59/68/383875968.db2.gz VUDUOZZKWFJHGI-MUWHJKNJSA-N -1 1 291.376 2.639 20 0 CFADMM CCC1(CC)[C@H](NC(=O)c2c([O-])cccc2F)C[C@@H]1OC ZINC000436527782 383829032 /nfs/dbraw/zinc/82/90/32/383829032.db2.gz FFEIYGBDKRHWOK-OLZOCXBDSA-N -1 1 295.354 2.855 20 0 CFADMM O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000436530120 383829460 /nfs/dbraw/zinc/82/94/60/383829460.db2.gz DAYLRPVONBOZIM-GXTWGEPZSA-N -1 1 289.281 2.956 20 0 CFADMM O=C(Nc1ccc2[nH]cnc2c1)c1cc(F)ccc1[O-] ZINC000436710129 383878996 /nfs/dbraw/zinc/87/89/96/383878996.db2.gz QOYYINMNXDAQPX-UHFFFAOYSA-N -1 1 271.251 2.660 20 0 CFADMM CN(Cc1ccon1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436534986 383832094 /nfs/dbraw/zinc/83/20/94/383832094.db2.gz JXHMWLAMJZERKR-UHFFFAOYSA-N -1 1 282.299 2.806 20 0 CFADMM O=C(NCC1(O)CCCCC1)c1cc2ccccc2cc1[O-] ZINC000436534930 383832571 /nfs/dbraw/zinc/83/25/71/383832571.db2.gz JGLDZRVAKNJFPQ-UHFFFAOYSA-N -1 1 299.370 2.970 20 0 CFADMM O=C(Nc1nnc(C(F)F)s1)c1cc(F)ccc1[O-] ZINC000436550426 383834973 /nfs/dbraw/zinc/83/49/73/383834973.db2.gz IGHNMJYNOUWXRU-UHFFFAOYSA-N -1 1 289.238 2.573 20 0 CFADMM CC(C)CO[C@H](C)C(=O)Nc1ccc(F)cc1[O-] ZINC000531756015 383915585 /nfs/dbraw/zinc/91/55/85/383915585.db2.gz HQACFZDIJOQPKU-SECBINFHSA-N -1 1 255.289 2.531 20 0 CFADMM CCC(CC)[C@@H](C)C(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000640656879 383882188 /nfs/dbraw/zinc/88/21/88/383882188.db2.gz WOEIXOPQBNFKRE-SECBINFHSA-N -1 1 297.424 2.593 20 0 CFADMM O=C(NCCC1(F)CCC1)c1ccc([O-])cc1F ZINC000436738794 383885123 /nfs/dbraw/zinc/88/51/23/383885123.db2.gz UOZUFBPSBDNVFC-UHFFFAOYSA-N -1 1 255.264 2.543 20 0 CFADMM CCC(CC)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436752813 383890094 /nfs/dbraw/zinc/89/00/94/383890094.db2.gz YNQCLTIUTAIROP-UHFFFAOYSA-N -1 1 271.744 2.973 20 0 CFADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000436764120 383892113 /nfs/dbraw/zinc/89/21/13/383892113.db2.gz PBGZKBNHTRUEOF-ZETCQYMHSA-N -1 1 273.254 2.939 20 0 CFADMM O=C(Nc1ncccc1O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436769661 383892761 /nfs/dbraw/zinc/89/27/61/383892761.db2.gz ZJTUPVVWNWJKFR-UHFFFAOYSA-N -1 1 298.220 2.764 20 0 CFADMM CCCCNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436764371 383893237 /nfs/dbraw/zinc/89/32/37/383893237.db2.gz KXESASQDFYAKLC-UHFFFAOYSA-N -1 1 257.717 2.584 20 0 CFADMM O=C(N[C@@H](c1ccccc1)C1CC1)C(=O)c1ccc([O-])cc1 ZINC000436774052 383895388 /nfs/dbraw/zinc/89/53/88/383895388.db2.gz VDOYYKPKWFRMAK-INIZCTEOSA-N -1 1 295.338 2.842 20 0 CFADMM CN(CC(F)F)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436778433 383896430 /nfs/dbraw/zinc/89/64/30/383896430.db2.gz RVYWZEUDVSUMAJ-UHFFFAOYSA-N -1 1 283.196 2.748 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H](C)c1ccccc1 ZINC000646410659 383988600 /nfs/dbraw/zinc/98/86/00/383988600.db2.gz QZGGJTOEGGPIIZ-SECBINFHSA-N -1 1 259.309 2.556 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1oc2ccc(F)cc2c1C ZINC000646409287 383988829 /nfs/dbraw/zinc/98/88/29/383988829.db2.gz OZMHSXWLOUTMFW-UHFFFAOYSA-N -1 1 289.266 2.870 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CC1CCC(C)(C)CC1 ZINC000646413086 383990781 /nfs/dbraw/zinc/99/07/81/383990781.db2.gz SSVKSFWJXNZIOP-UHFFFAOYSA-N -1 1 265.357 2.969 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCC1CCCC1 ZINC000646413358 383991346 /nfs/dbraw/zinc/99/13/46/383991346.db2.gz WEPSPGLIEIMJMY-UHFFFAOYSA-N -1 1 251.330 2.723 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(C)c(Cl)c1 ZINC000646413162 383991440 /nfs/dbraw/zinc/99/14/40/383991440.db2.gz RGNGRQDHZRLLPY-UHFFFAOYSA-N -1 1 265.700 2.638 20 0 CFADMM O=C([N-]c1nncs1)c1ncsc1-c1ccccc1 ZINC000438055916 383938681 /nfs/dbraw/zinc/93/86/81/383938681.db2.gz FWLKLHFTOABVFN-UHFFFAOYSA-N -1 1 288.357 2.914 20 0 CFADMM CCC[C@H](C(=O)[O-])N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000573571376 383952905 /nfs/dbraw/zinc/95/29/05/383952905.db2.gz VMXZUKZBFDADCO-ZIAGYGMSSA-N -1 1 299.317 2.591 20 0 CFADMM Cc1oncc1CN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000573699785 383977069 /nfs/dbraw/zinc/97/70/69/383977069.db2.gz RNZSTDVFCQJQLH-UKRRQHHQSA-N -1 1 292.379 2.838 20 0 CFADMM O=S(=O)([N-]C1(C2CC2)CC1)c1cc2ccccc2o1 ZINC000532367408 384017055 /nfs/dbraw/zinc/01/70/55/384017055.db2.gz JMCIHGBDTFLECE-UHFFFAOYSA-N -1 1 277.345 2.654 20 0 CFADMM Cc1ncc(Cl)c(C(=O)Nc2ccc(F)cc2[O-])n1 ZINC000532621143 384053613 /nfs/dbraw/zinc/05/36/13/384053613.db2.gz FMVWTEFEHRCMBI-UHFFFAOYSA-N -1 1 281.674 2.535 20 0 CFADMM Cc1nc(S(=O)(=O)[N-]CC2=CCCCC2)sc1C ZINC000574523619 384109336 /nfs/dbraw/zinc/10/93/36/384109336.db2.gz PCIJWEXYADDOPX-UHFFFAOYSA-N -1 1 286.422 2.539 20 0 CFADMM CCc1ccc(CNCc2ccc(C(=O)[O-])c(C)n2)cc1 ZINC000277217633 384234623 /nfs/dbraw/zinc/23/46/23/384234623.db2.gz HQSBIDAYEUUARM-UHFFFAOYSA-N -1 1 284.359 2.940 20 0 CFADMM Cc1cccc(CNCc2ccc(C(=O)[O-])c(C)n2)c1C ZINC000277163205 384219679 /nfs/dbraw/zinc/21/96/79/384219679.db2.gz DGMSDMOVIWCOPX-UHFFFAOYSA-N -1 1 284.359 2.995 20 0 CFADMM C[C@H]([N-]S(=O)(=O)CC1(C)CCCCC1)C(F)F ZINC000641701099 384275169 /nfs/dbraw/zinc/27/51/69/384275169.db2.gz CUBQRAPXMGRXCF-VIFPVBQESA-N -1 1 269.357 2.530 20 0 CFADMM Cc1cc(F)ccc1CNCc1ccc(C(=O)[O-])c(C)n1 ZINC000277395357 384289479 /nfs/dbraw/zinc/28/94/79/384289479.db2.gz RPZLYQZYBYSGDL-UHFFFAOYSA-N -1 1 288.322 2.826 20 0 CFADMM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cncc([O-])c1 ZINC000267078683 384294575 /nfs/dbraw/zinc/29/45/75/384294575.db2.gz BZICNTDODTXSPX-FZMZJTMJSA-N -1 1 262.353 2.828 20 0 CFADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000281128778 195115080 /nfs/dbraw/zinc/11/50/80/195115080.db2.gz IZOBTMNFUKUKQM-BXUZGUMPSA-N -1 1 275.348 2.612 20 0 CFADMM CCN(Cc1oc(-c2ccccc2)nc1C)[C@@H](C)C(=O)[O-] ZINC000641794838 384360788 /nfs/dbraw/zinc/36/07/88/384360788.db2.gz QWZKHAJMAJSTHP-LBPRGKRZSA-N -1 1 288.347 2.945 20 0 CFADMM CCC[C@@H](NC(=O)c1ccc(C(C)C)cc1)c1nn[n-]n1 ZINC000267554915 384414322 /nfs/dbraw/zinc/41/43/22/384414322.db2.gz DSQUFGXXBSGTGT-CYBMUJFWSA-N -1 1 287.367 2.594 20 0 CFADMM CCS[C@@H]1CCC[C@@H](NC(=O)c2cncc([O-])c2)C1 ZINC000267395564 384378520 /nfs/dbraw/zinc/37/85/20/384378520.db2.gz YBZLCRHKUCZCEI-DGCLKSJQSA-N -1 1 280.393 2.581 20 0 CFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)[C@H](C)C1CC1 ZINC000641867192 384387989 /nfs/dbraw/zinc/38/79/89/384387989.db2.gz 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Cc1cc(C)cc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)c1 ZINC000355708369 130339809 /nfs/dbraw/zinc/33/98/09/130339809.db2.gz ZCONTLUUZXSOIA-UHFFFAOYSA-N -1 1 296.330 2.543 20 0 CFADMM O=C(Nc1cccc2cnncc21)c1ccc([O-])cc1F ZINC000683361455 542671910 /nfs/dbraw/zinc/67/19/10/542671910.db2.gz OJOOKSYVJGDWDJ-UHFFFAOYSA-N -1 1 283.262 2.727 20 0 CFADMM CCC[C@]1(COC)CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000683659703 542707804 /nfs/dbraw/zinc/70/78/04/542707804.db2.gz OMZYFIMNHHRBNE-MRXNPFEDSA-N -1 1 295.354 2.953 20 0 CFADMM O=S(=O)(c1ccc([O-])cc1)[C@@H]1CCc2ccccc21 ZINC000683732183 542716522 /nfs/dbraw/zinc/71/65/22/542716522.db2.gz PNVLSLGOFHUNPG-OAHLLOKOSA-N -1 1 274.341 2.853 20 0 CFADMM Cc1csc(NC(=O)c2ccc([O-])cc2F)n1 ZINC000181080407 393488999 /nfs/dbraw/zinc/48/89/99/393488999.db2.gz JYLGFJXVISDOIY-UHFFFAOYSA-N -1 1 252.270 2.549 20 0 CFADMM CC1(F)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000684328608 542788421 /nfs/dbraw/zinc/78/84/21/542788421.db2.gz GOTQOHXZANOPGH-UHFFFAOYSA-N -1 1 259.280 2.729 20 0 CFADMM CC(C)(NC(=O)c1ccc(Cl)cc1[O-])C(F)F ZINC000684341364 542790500 /nfs/dbraw/zinc/79/05/00/542790500.db2.gz JMSWCAUEMQMXGL-UHFFFAOYSA-N -1 1 263.671 2.819 20 0 CFADMM C[C@H]1SCC[C@@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000379836535 393554301 /nfs/dbraw/zinc/55/43/01/393554301.db2.gz DZICVSPRSIFNQE-XCBNKYQSSA-N -1 1 271.769 2.669 20 0 CFADMM CN(Cc1cccc(C(=O)[O-])c1Cl)C[C@H]1CCCO1 ZINC000381604391 393565703 /nfs/dbraw/zinc/56/57/03/393565703.db2.gz HAPIPSFXMLLKBS-LLVKDONJSA-N -1 1 283.755 2.649 20 0 CFADMM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)c(C)c1 ZINC000048652467 393592182 /nfs/dbraw/zinc/59/21/82/393592182.db2.gz XOGNPUBQJUTUEJ-UHFFFAOYSA-N -1 1 295.335 2.944 20 0 CFADMM COc1c(F)cc(NC(=O)c2ccccc2[O-])cc1F ZINC000048747564 393598193 /nfs/dbraw/zinc/59/81/93/393598193.db2.gz RSVXXKADLKAPFJ-UHFFFAOYSA-N -1 1 279.242 2.931 20 0 CFADMM O=C(N[C@H]1CCCc2sccc21)c1ncccc1[O-] ZINC000061367866 393625553 /nfs/dbraw/zinc/62/55/53/393625553.db2.gz MNEOVNSQSCEGTM-JTQLQIEISA-N -1 1 274.345 2.656 20 0 CFADMM CN(Cc1ncc[nH]1)C(=O)c1ccc2ccccc2c1[O-] ZINC000071203164 393639423 /nfs/dbraw/zinc/63/94/23/393639423.db2.gz VPTRTPYVYXABQG-UHFFFAOYSA-N -1 1 281.315 2.541 20 0 CFADMM COc1ccc(S(=O)(=O)[N-]c2cncc(C)c2)c(C)c1 ZINC000074831801 393665364 /nfs/dbraw/zinc/66/53/64/393665364.db2.gz NYMNMMDJYWROEK-UHFFFAOYSA-N -1 1 292.360 2.508 20 0 CFADMM C[C@H]1CCC[C@H](C)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000075491238 393673741 /nfs/dbraw/zinc/67/37/41/393673741.db2.gz FXRCWHVQIJBZCD-RYUDHWBXSA-N -1 1 299.374 2.986 20 0 CFADMM O=C(NCc1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000081937781 393738032 /nfs/dbraw/zinc/73/80/32/393738032.db2.gz OTKQNQRFYWXAJW-UHFFFAOYSA-N -1 1 263.243 2.600 20 0 CFADMM CS[C@@H]1CCC[C@@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000081959637 393738970 /nfs/dbraw/zinc/73/89/70/393738970.db2.gz AQSKNILNHAMISS-GHMZBOCLSA-N -1 1 283.368 2.935 20 0 CFADMM CCSCC[C@H](C)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000336700262 393746467 /nfs/dbraw/zinc/74/64/67/393746467.db2.gz KIAHSOGNIXFHDH-DTWKUNHWSA-N -1 1 275.443 2.611 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)OC(C)(C)C)n1 ZINC000084219053 393747726 /nfs/dbraw/zinc/74/77/26/393747726.db2.gz KBGIHEZEDDXBOB-SECBINFHSA-N -1 1 298.408 2.957 20 0 CFADMM O=C(Nc1nccn1-c1ccccc1)c1ccc(O)cc1[O-] ZINC000194713798 393713799 /nfs/dbraw/zinc/71/37/99/393713799.db2.gz TYXAGNACKYKUBB-UHFFFAOYSA-N -1 1 295.298 2.536 20 0 CFADMM C[C@H](C(=O)N=c1cc(-c2cccs2)[n-][nH]1)C1CCC1 ZINC000411573709 393727960 /nfs/dbraw/zinc/72/79/60/393727960.db2.gz TXDUHOFNBHNYQJ-VIFPVBQESA-N -1 1 275.377 2.935 20 0 CFADMM CCCc1cc(=O)[n-]c(SCc2ncccc2C)n1 ZINC000092852065 393793231 /nfs/dbraw/zinc/79/32/31/393793231.db2.gz WVUKGERUFWXFKG-UHFFFAOYSA-N -1 1 275.377 2.718 20 0 CFADMM COCc1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000109037739 393877993 /nfs/dbraw/zinc/87/79/93/393877993.db2.gz PEWKAQVGFSRDDP-UHFFFAOYSA-N -1 1 256.261 2.742 20 0 CFADMM Cc1cccc2c1CC[C@@H]2NC(=O)c1cncc([O-])c1 ZINC000111610743 393885481 /nfs/dbraw/zinc/88/54/81/393885481.db2.gz IUMYLCKOSHKWJG-HNNXBMFYSA-N -1 1 268.316 2.513 20 0 CFADMM COc1ccc(C(=O)Nc2ccc(SC)cn2)c([O-])c1 ZINC000116467364 393908700 /nfs/dbraw/zinc/90/87/00/393908700.db2.gz XKZZUTKEGONJDY-UHFFFAOYSA-N -1 1 290.344 2.770 20 0 CFADMM COc1cc(C(=O)N[C@@H]2C[C@H]2C(C)C)cc(Cl)c1[O-] ZINC000458136464 393856473 /nfs/dbraw/zinc/85/64/73/393856473.db2.gz XUQPBNOFNMEKFG-GXSJLCMTSA-N -1 1 283.755 2.829 20 0 CFADMM O=C(NC[C@H]1CC12CC2)c1cc(Br)ccc1[O-] ZINC000416066079 393860752 /nfs/dbraw/zinc/86/07/52/393860752.db2.gz SXHKLYNNSIIISN-MRVPVSSYSA-N -1 1 296.164 2.685 20 0 CFADMM CC(C)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684868534 542864391 /nfs/dbraw/zinc/86/43/91/542864391.db2.gz FNELECJPXVCHIA-UHFFFAOYSA-N -1 1 261.243 2.797 20 0 CFADMM O=S(=O)([N-][C@@H](C1CC1)C1CCC1)c1sccc1F ZINC000416512898 393924177 /nfs/dbraw/zinc/92/41/77/393924177.db2.gz TWVHNAIWXLIJAR-LLVKDONJSA-N -1 1 289.397 2.744 20 0 CFADMM COc1cccc(CCNC(=O)c2c([O-])cccc2F)c1 ZINC000119845221 393925577 /nfs/dbraw/zinc/92/55/77/393925577.db2.gz GJLZOHAQQUYWQE-UHFFFAOYSA-N -1 1 289.306 2.512 20 0 CFADMM O=S(=O)([N-][C@@H]1CCCC[C@H]1F)c1ccc(F)cc1F ZINC000416588198 393931905 /nfs/dbraw/zinc/93/19/05/393931905.db2.gz IAPHWKDGTUBPOI-MWLCHTKSSA-N -1 1 293.310 2.524 20 0 CFADMM C[C@H]([N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)C(C)(F)F ZINC000416496132 393922382 /nfs/dbraw/zinc/92/23/82/393922382.db2.gz OMNKSEPENFENDH-ZMLRMANQSA-N -1 1 289.347 2.506 20 0 CFADMM CC(C)(C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436796630 394022143 /nfs/dbraw/zinc/02/21/43/394022143.db2.gz WVTHLONMTATKKY-UHFFFAOYSA-N -1 1 261.243 2.939 20 0 CFADMM C[C@H](C(=O)[O-])[C@H](NCc1ccco1)c1ccccc1 ZINC000417562346 393976162 /nfs/dbraw/zinc/97/61/62/393976162.db2.gz MHARXCOLBIQKKF-FZMZJTMJSA-N -1 1 259.305 2.831 20 0 CFADMM O=C([O-])[C@@H]1C[C@H](NCc2ccco2)c2ccccc21 ZINC000417628245 393986389 /nfs/dbraw/zinc/98/63/89/393986389.db2.gz PAXWUQFLXQZNDN-KGLIPLIRSA-N -1 1 257.289 2.682 20 0 CFADMM Cc1ccoc1CN[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417627532 393986757 /nfs/dbraw/zinc/98/67/57/393986757.db2.gz OFVSZIAQGFIJBD-ZIAGYGMSSA-N -1 1 271.316 2.991 20 0 CFADMM O=C(NCc1cc(F)ccc1F)c1cc(F)ccc1[O-] ZINC000124058330 393990694 /nfs/dbraw/zinc/99/06/94/393990694.db2.gz YFMYGEAXKAULRA-UHFFFAOYSA-N -1 1 281.233 2.740 20 0 CFADMM Cc1ccoc1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC000417673799 393992328 /nfs/dbraw/zinc/99/23/28/393992328.db2.gz WYYFXIJANDRHQU-UHFFFAOYSA-N -1 1 259.305 2.884 20 0 CFADMM Cc1ccc(-c2cnc(CN(C)CCCC(=O)[O-])o2)cc1 ZINC000430661783 394002843 /nfs/dbraw/zinc/00/28/43/394002843.db2.gz IAYWYUYLZBPNAH-UHFFFAOYSA-N -1 1 288.347 2.947 20 0 CFADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccon1 ZINC000436974312 394039635 /nfs/dbraw/zinc/03/96/35/394039635.db2.gz XVHPNNSEUNLLKZ-ZETCQYMHSA-N -1 1 266.684 2.525 20 0 CFADMM COC1CCC(C)(CNC(=O)c2ccc([O-])cc2F)CC1 ZINC000436984497 394040341 /nfs/dbraw/zinc/04/03/41/394040341.db2.gz BMLNHYLEDVLGGI-UHFFFAOYSA-N -1 1 295.354 2.856 20 0 CFADMM CCCCOc1ccc(C(=O)Nc2cncnc2)c([O-])c1 ZINC000436979269 394040503 /nfs/dbraw/zinc/04/05/03/394040503.db2.gz KJEBIQPJQGUWRQ-UHFFFAOYSA-N -1 1 287.319 2.613 20 0 CFADMM CC(C)O[C@@H]1C[C@H](NC(=O)c2c([O-])cccc2F)C1(C)C ZINC000436990074 394041904 /nfs/dbraw/zinc/04/19/04/394041904.db2.gz QMTMGILIFPXCND-QWHCGFSZSA-N -1 1 295.354 2.853 20 0 CFADMM C[C@H](C(=O)N=c1cc(-c2cccs2)[n-][nH]1)C(F)(F)F ZINC000439122264 394100853 /nfs/dbraw/zinc/10/08/53/394100853.db2.gz WXONUMXXRCMHLJ-ZCFIWIBFSA-N -1 1 289.282 2.697 20 0 CFADMM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000275166920 394046266 /nfs/dbraw/zinc/04/62/66/394046266.db2.gz RMMXJTYXVBEGOU-RYUDHWBXSA-N -1 1 262.353 2.828 20 0 CFADMM CCc1cc(=O)[nH]c(C[N@H+]2CC[C@@H](C)C[C@H](C)C2)n1 ZINC000127467867 394051232 /nfs/dbraw/zinc/05/12/32/394051232.db2.gz XBUKECGERVXWOA-NEPJUHHUSA-N -1 1 263.385 2.613 20 0 CFADMM CO[C@H](CC(C)C)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000419878328 394067068 /nfs/dbraw/zinc/06/70/68/394067068.db2.gz GENGMUBRMBRILO-LLVKDONJSA-N -1 1 293.392 2.560 20 0 CFADMM C[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000128597742 394073242 /nfs/dbraw/zinc/07/32/42/394073242.db2.gz AZHYAYXMTYPKPF-CABZTGNLSA-N -1 1 251.301 2.840 20 0 CFADMM CC[C@H](NC(=O)c1cc(F)ccc1[O-])c1nccs1 ZINC000128671253 394074247 /nfs/dbraw/zinc/07/42/47/394074247.db2.gz PCAYDCWKNYGMEM-JTQLQIEISA-N -1 1 280.324 2.869 20 0 CFADMM O=C(NCC1(C(F)F)CC1)c1ccc(Cl)cc1[O-] ZINC000436851269 394028695 /nfs/dbraw/zinc/02/86/95/394028695.db2.gz LAJIZTZUJIEMOU-UHFFFAOYSA-N -1 1 275.682 2.821 20 0 CFADMM C[C@@H]1C[C@H](CCNC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000436846458 394028832 /nfs/dbraw/zinc/02/88/32/394028832.db2.gz XGIOPUYWVUEENK-GHMZBOCLSA-N -1 1 297.782 2.981 20 0 CFADMM CC(C)c1ccc(C(=O)Nc2ccc3nncn3c2)c([O-])c1 ZINC000436859487 394030014 /nfs/dbraw/zinc/03/00/14/394030014.db2.gz LHOGKVUXMZIJRJ-UHFFFAOYSA-N -1 1 296.330 2.811 20 0 CFADMM CC[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)c(F)c1)OC ZINC000421156614 394176795 /nfs/dbraw/zinc/17/67/95/394176795.db2.gz QIPRJTUTCMZSQI-VIFPVBQESA-N -1 1 295.763 2.646 20 0 CFADMM CO[C@@H]1CCC[C@H](CC(=O)Nc2nc(Cl)ccc2[O-])C1 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C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1cc(Cl)ccc1[O-] ZINC000529989635 394439459 /nfs/dbraw/zinc/43/94/59/394439459.db2.gz XZEAZXSPBRKMBO-YDEXJTGXSA-N -1 1 283.755 2.587 20 0 CFADMM O=C([O-])[C@@H]1CCCCN1Cc1cccnc1C(F)(F)F ZINC000530159840 394462052 /nfs/dbraw/zinc/46/20/52/394462052.db2.gz DJRRCIPAHZKZBA-JTQLQIEISA-N -1 1 288.269 2.540 20 0 CFADMM CO[C@H]1CCC[C@@H](C(=O)Nc2cccc(F)c2[O-])C1 ZINC000530004251 394441323 /nfs/dbraw/zinc/44/13/23/394441323.db2.gz IKPDMHHYBIDZRT-ZJUUUORDSA-N -1 1 267.300 2.675 20 0 CFADMM O=C(Nc1cccc(F)c1[O-])C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000530006061 394441838 /nfs/dbraw/zinc/44/18/38/394441838.db2.gz NFZGBWARGAYCCV-ZACCUICWSA-N -1 1 291.322 2.865 20 0 CFADMM Cc1nc(SCC[C@H]2CCCCO2)[n-]c(=O)c1C ZINC000543641159 394737394 /nfs/dbraw/zinc/73/73/94/394737394.db2.gz LECUOZLVRLNHMS-LLVKDONJSA-N -1 1 268.382 2.850 20 0 CFADMM Cc1cnc(C(=O)NCc2cc3ccccc3o2)c([O-])c1 ZINC000545882557 394805523 /nfs/dbraw/zinc/80/55/23/394805523.db2.gz CRMBLIDCWNCXQC-UHFFFAOYSA-N -1 1 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2.827 20 0 CFADMM Cc1cnc(SCCCO[C@H]2CCCCO2)[n-]c1=O ZINC000657261862 413379576 /nfs/dbraw/zinc/37/95/76/413379576.db2.gz MJPMAXROOWCMGJ-NSHDSACASA-N -1 1 284.381 2.516 20 0 CFADMM CCc1nnc(SCC(=O)c2ccc([O-])cc2)s1 ZINC000657269754 413385814 /nfs/dbraw/zinc/38/58/14/413385814.db2.gz GFAIUIBBMIQLQJ-UHFFFAOYSA-N -1 1 280.374 2.781 20 0 CFADMM CCc1cccc(NC(=O)c2csc(=NC3CC3)[n-]2)c1 ZINC000349799867 163018410 /nfs/dbraw/zinc/01/84/10/163018410.db2.gz IZEFUUCNFHVHCN-UHFFFAOYSA-N -1 1 287.388 2.954 20 0 CFADMM CCOC(=O)CC[C@H](C)Sc1nc(CC)cc(=O)[n-]1 ZINC000349837410 163024366 /nfs/dbraw/zinc/02/43/66/163024366.db2.gz DNMNLJZZTPYGJC-VIFPVBQESA-N -1 1 284.381 2.569 20 0 CFADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000351869490 163208471 /nfs/dbraw/zinc/20/84/71/163208471.db2.gz WBRKWZFVUDRBRC-UHFFFAOYSA-N -1 1 291.372 2.942 20 0 CFADMM Cc1cc(C)c(/C=C/c2cc(=O)n3[n-]cnc3n2)cc1C ZINC000352035140 163218305 /nfs/dbraw/zinc/21/83/05/163218305.db2.gz MMVNQGKVQVQCFI-SNAWJCMRSA-N -1 1 280.331 2.513 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N[C@H](C)CC3CC3)cnc2n1 ZINC000352850353 163251691 /nfs/dbraw/zinc/25/16/91/163251691.db2.gz SMWAGMVRELLUHJ-SNVBAGLBSA-N -1 1 285.347 2.562 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H](C)CC1CC1)c2=O ZINC000352850353 163251694 /nfs/dbraw/zinc/25/16/94/163251694.db2.gz SMWAGMVRELLUHJ-SNVBAGLBSA-N -1 1 285.347 2.562 20 0 CFADMM CCOC(=O)[C@@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000352925145 163272912 /nfs/dbraw/zinc/27/29/12/163272912.db2.gz KRIXDLXDYDIVQJ-NSHDSACASA-N -1 1 283.755 2.573 20 0 CFADMM C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cccc([O-])c1Cl ZINC000352962312 163277420 /nfs/dbraw/zinc/27/74/20/163277420.db2.gz LNYVTHCICYWRET-GHMZBOCLSA-N -1 1 268.788 2.570 20 0 CFADMM CCC[C@@]1(C)C(=O)NCCN1Cc1cccc([O-])c1Cl ZINC000353101019 163307224 /nfs/dbraw/zinc/30/72/24/163307224.db2.gz MSNKOPLHZOPWOM-HNNXBMFYSA-N -1 1 296.798 2.536 20 0 CFADMM Cc1ccc(CN(CCO)Cc2cccc([O-])c2Cl)o1 ZINC000353284240 163337542 /nfs/dbraw/zinc/33/75/42/163337542.db2.gz UQJNAEQUQIVCJT-UHFFFAOYSA-N -1 1 295.766 2.942 20 0 CFADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(CC(C)C)n[nH]1 ZINC000353911976 163482812 /nfs/dbraw/zinc/48/28/12/163482812.db2.gz UURUUOMGPGXBGN-UHFFFAOYSA-N -1 1 299.421 2.779 20 0 CFADMM O=C(COCC1CCCC1)Nc1c([O-])cccc1F ZINC000653721853 413464157 /nfs/dbraw/zinc/46/41/57/413464157.db2.gz RXPFNDWQZYYGPI-UHFFFAOYSA-N -1 1 267.300 2.677 20 0 CFADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@H]1CCO ZINC000020260337 171116569 /nfs/dbraw/zinc/11/65/69/171116569.db2.gz LIASKWAKVBWMLZ-AWEZNQCLSA-N -1 1 299.370 2.923 20 0 CFADMM CCOc1ccc2nc(S[C@H](C)C(=O)[O-])[nH]c2c1 ZINC000022220075 171377211 /nfs/dbraw/zinc/37/72/11/171377211.db2.gz UBTNLHQSLIYZRB-SSDOTTSWSA-N -1 1 266.322 2.527 20 0 CFADMM Cc1nc(-c2ccc(N3CC[C@H]4C[C@H]4C3)nc2)[n-]c(=O)c1C ZINC000664525185 413819072 /nfs/dbraw/zinc/81/90/72/413819072.db2.gz NDWWUJYWNCRTAR-JSGCOSHPSA-N -1 1 296.374 2.707 20 0 CFADMM Cc1nc(-c2ccc(N3CC[C@@H]4C[C@@H]4C3)nc2)[n-]c(=O)c1C ZINC000664525187 413819302 /nfs/dbraw/zinc/81/93/02/413819302.db2.gz 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Cc1cc(CNC(=O)c2ccc3ccccc3c2[O-])on1 ZINC000045010637 175289315 /nfs/dbraw/zinc/28/93/15/175289315.db2.gz DVWXYDYHSVIMOV-UHFFFAOYSA-N -1 1 282.299 2.772 20 0 CFADMM CCC1=NO[C@@H](c2nc(=O)c3c4c(sc3[n-]2)CCC4)C1 ZINC000071914205 176298609 /nfs/dbraw/zinc/29/86/09/176298609.db2.gz MHIFYCWFTYEZJE-SECBINFHSA-N -1 1 289.360 2.701 20 0 CFADMM CN(CC1CC1)C(=O)c1cc(Br)ccc1[O-] ZINC000076925095 177133149 /nfs/dbraw/zinc/13/31/49/177133149.db2.gz MRPVJIQJIAKXCQ-UHFFFAOYSA-N -1 1 284.153 2.637 20 0 CFADMM CC1(C)[C@@H](NC(=O)c2ccc(Cl)cc2[O-])[C@H]2CCO[C@@H]21 ZINC000078160556 177325009 /nfs/dbraw/zinc/32/50/09/177325009.db2.gz ZUQDSXLFCAPIRW-WXHSDQCUSA-N -1 1 295.766 2.589 20 0 CFADMM CCc1nc(SCC(=O)C2CCCC2)[n-]c(=O)c1C ZINC000521371667 260089603 /nfs/dbraw/zinc/08/96/03/260089603.db2.gz JOQTXPCTGGLAMB-UHFFFAOYSA-N -1 1 280.393 2.904 20 0 CFADMM Cc1cc(C(=O)[O-])cc(-c2nccc3[nH]cnc32)c1 ZINC001243177107 782036883 /nfs/dbraw/zinc/03/68/83/782036883.db2.gz JOSHMIZMVGPQDW-UHFFFAOYSA-N -1 1 253.261 2.632 20 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CFADMM CC(C)c1scnc1NC(=O)c1cncc([O-])c1 ZINC000520426888 265816539 /nfs/dbraw/zinc/81/65/39/265816539.db2.gz ULVPRBDLXFEMSI-UHFFFAOYSA-N -1 1 263.322 2.619 20 0 CFADMM Cc1cc(C(=O)[O-])cc(-c2cc3[nH]nnc3cc2F)c1 ZINC001243179628 782041253 /nfs/dbraw/zinc/04/12/53/782041253.db2.gz ZIPCTDYKCYQEGW-UHFFFAOYSA-N -1 1 271.251 2.771 20 0 CFADMM C[C@@H]1C[C@H]1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000032746792 270225059 /nfs/dbraw/zinc/22/50/59/270225059.db2.gz YUIFXELZXWSHBQ-MFKMUULPSA-N -1 1 255.317 2.931 20 0 CFADMM COc1ccc(NC(=O)c2ccccc2[O-])cc1F ZINC000037290954 270225674 /nfs/dbraw/zinc/22/56/74/270225674.db2.gz OXPBWPYMARLUGS-UHFFFAOYSA-N -1 1 261.252 2.792 20 0 CFADMM CCc1cc(=O)[n-]c(SCCc2ccc(OC)cc2)n1 ZINC000041626591 270227051 /nfs/dbraw/zinc/22/70/51/270227051.db2.gz SSBFBOOVRPUUBO-UHFFFAOYSA-N -1 1 290.388 2.676 20 0 CFADMM CCN(CCOC)C(=O)c1cc2ccccc2cc1[O-] ZINC000042356504 270227489 /nfs/dbraw/zinc/22/74/89/270227489.db2.gz CQRNQOWPHHGOIQ-UHFFFAOYSA-N -1 1 273.332 2.654 20 0 CFADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1cccc(O)c1 ZINC000192240615 270229876 /nfs/dbraw/zinc/22/98/76/270229876.db2.gz SQLFTIUGLLZAIH-SECBINFHSA-N -1 1 275.279 2.728 20 0 CFADMM CO[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1(C)C ZINC000227815779 270258126 /nfs/dbraw/zinc/25/81/26/270258126.db2.gz RXUZSKUVFGXSJN-NEPJUHHUSA-N -1 1 283.755 2.589 20 0 CFADMM CCCC1(CNC(=O)c2cc(F)ccc2[O-])CC1 ZINC000230163182 270259201 /nfs/dbraw/zinc/25/92/01/270259201.db2.gz MPJYPQFGURTMOC-UHFFFAOYSA-N -1 1 251.301 2.841 20 0 CFADMM C[C@H](CC(F)(F)F)NC(=O)c1ccc([O-])cc1F ZINC000231901951 270261525 /nfs/dbraw/zinc/26/15/25/270261525.db2.gz KQYVBGCGJGSTHF-ZCFIWIBFSA-N -1 1 265.206 2.602 20 0 CFADMM CC1(C)OCC[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000328249734 270299436 /nfs/dbraw/zinc/29/94/36/270299436.db2.gz NUUXUIBLMJCPOB-CQSZACIVSA-N -1 1 285.343 2.843 20 0 CFADMM CO[C@H](C)c1nc(=N[C@@H]2C[C@@]2(C)C(C)C)s[n-]1 ZINC000397198843 270316184 /nfs/dbraw/zinc/31/61/84/270316184.db2.gz UVJPEQKTVXIDSF-LNLATYFQSA-N -1 1 255.387 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255.277 2.661 20 0 CFADMM COC(=O)c1ccc(-c2nc3cccc(C)c3c(=O)[n-]2)cc1 ZINC000495358654 277425486 /nfs/dbraw/zinc/42/54/86/277425486.db2.gz NXSVLOIKXRFFKJ-UHFFFAOYSA-N -1 1 294.310 2.685 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CC2(CCC2)O1 ZINC000335358886 288016389 /nfs/dbraw/zinc/01/63/89/288016389.db2.gz IVIDZQDJVRBYCO-SNVBAGLBSA-N -1 1 295.766 2.829 20 0 CFADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])[C@@H]1[C@H]1CCCO1 ZINC000292513432 278320409 /nfs/dbraw/zinc/32/04/09/278320409.db2.gz BDWCXRVQNHCXPU-ZIAGYGMSSA-N -1 1 293.338 2.561 20 0 CFADMM Cc1cnc(C(=O)N[C@@H]2CCOc3c(C)cccc32)c([O-])c1 ZINC000356692548 279009183 /nfs/dbraw/zinc/00/91/83/279009183.db2.gz IYVPWAMZSHEBCO-CYBMUJFWSA-N -1 1 298.342 2.658 20 0 CFADMM C[C@H]1CCc2sc(C(=O)Nc3ccncc3[O-])cc2C1 ZINC000336907767 279777344 /nfs/dbraw/zinc/77/73/44/279777344.db2.gz ZECMNVANZINNBF-VIFPVBQESA-N -1 1 288.372 2.648 20 0 CFADMM O=c1cc(C(F)(F)F)nc(S[C@@H]2CCCCC2=O)[n-]1 ZINC000126982155 280250977 /nfs/dbraw/zinc/25/09/77/280250977.db2.gz 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CFADMM C[C@@]1(c2nc(-c3ccc([O-])c(F)c3)no2)CC1(F)F ZINC000335138221 525908289 /nfs/dbraw/zinc/90/82/89/525908289.db2.gz DXCPBFAWLOCDRK-NSHDSACASA-N -1 1 270.210 2.878 20 0 CFADMM Cc1cnc(C(=O)N(C)Cc2ccc(F)c(F)c2)c([O-])c1 ZINC000334781326 525966744 /nfs/dbraw/zinc/96/67/44/525966744.db2.gz USZTZGRQZYSUHC-UHFFFAOYSA-N -1 1 292.285 2.646 20 0 CFADMM Cc1cnc(C(=O)N2CCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC000336106432 525969382 /nfs/dbraw/zinc/96/93/82/525969382.db2.gz LPUXSIHOUCJWRU-GFCCVEGCSA-N -1 1 262.353 2.746 20 0 CFADMM Cc1cnc(C(=O)NCCc2cccc3[nH]ccc32)c([O-])c1 ZINC000337672998 525971538 /nfs/dbraw/zinc/97/15/38/525971538.db2.gz YILKBABLBVPJRZ-UHFFFAOYSA-N -1 1 295.342 2.549 20 0 CFADMM C[C@H](c1cc(F)ccc1F)N1CCC(C(=O)[O-])CC1 ZINC000082249743 526037967 /nfs/dbraw/zinc/03/79/67/526037967.db2.gz PWLZNXFRNIJRMY-SECBINFHSA-N -1 1 269.291 2.822 20 0 CFADMM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000339918222 526221368 /nfs/dbraw/zinc/22/13/68/526221368.db2.gz BAFOBFRJECNTSZ-MFKMUULPSA-N -1 1 262.353 2.732 20 0 CFADMM O=C(NC[C@H]1CCCCS1)c1ccc([O-])cc1F ZINC000230176838 526592715 /nfs/dbraw/zinc/59/27/15/526592715.db2.gz XQYUHBGUDUAGLX-SNVBAGLBSA-N -1 1 269.341 2.547 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@H]1C(F)F ZINC000336147862 526623237 /nfs/dbraw/zinc/62/32/37/526623237.db2.gz CZHXWEMNZXWAOU-JTQLQIEISA-N -1 1 273.254 2.791 20 0 CFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@H](F)C1 ZINC000334841391 526664798 /nfs/dbraw/zinc/66/47/98/526664798.db2.gz IKUVVOCIJIOROW-QMMMGPOBSA-N -1 1 277.217 2.595 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000336395627 526679146 /nfs/dbraw/zinc/67/91/46/526679146.db2.gz YAPATSNNWTYUJR-WDEREUQCSA-N -1 1 295.766 2.544 20 0 CFADMM Cn1c(CCCc2cccs2)n[n-]c1=NC(C)(C)C ZINC000361313825 527048740 /nfs/dbraw/zinc/04/87/40/527048740.db2.gz PDGWDILMFJBMBS-UHFFFAOYSA-N -1 1 278.425 2.684 20 0 CFADMM O=S(=O)(Cc1ccc(F)cc1)c1ccc([O-])cc1 ZINC000049488922 527193019 /nfs/dbraw/zinc/19/30/19/527193019.db2.gz GGGLSWPTGJFUIL-UHFFFAOYSA-N -1 1 266.293 2.505 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCC[C@H](F)C1 ZINC000335106041 527213920 /nfs/dbraw/zinc/21/39/20/527213920.db2.gz BWBHQYQTHFGKPC-BDAKNGLRSA-N -1 1 255.264 2.998 20 0 CFADMM O=S(=O)(Nc1ccccc1O)c1cccc(Cl)c1[O-] ZINC000339207667 527255501 /nfs/dbraw/zinc/25/55/01/527255501.db2.gz AHATZUXLGPVKPD-UHFFFAOYSA-N -1 1 299.735 2.552 20 0 CFADMM O=C(Nc1ccc2c(c1)C(=O)CCO2)c1ccccc1[O-] ZINC000365854113 527267574 /nfs/dbraw/zinc/26/75/74/527267574.db2.gz PXMJITRIRPHRDV-UHFFFAOYSA-N -1 1 283.283 2.610 20 0 CFADMM O=C(Nc1cccc(O)c1F)c1cc(F)ccc1[O-] ZINC000336462071 527363541 /nfs/dbraw/zinc/36/35/41/527363541.db2.gz WWBIUHSDOGQFAC-UHFFFAOYSA-N -1 1 265.215 2.628 20 0 CFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc2ccccc2[nH]1 ZINC000067660227 527495739 /nfs/dbraw/zinc/49/57/39/527495739.db2.gz WBJFGTNQQOMFTC-UHFFFAOYSA-N -1 1 295.224 2.557 20 0 CFADMM O=C([O-])Cc1ccccc1CNCc1ccccc1F ZINC000167585049 527639333 /nfs/dbraw/zinc/63/93/33/527639333.db2.gz LWHMGSSTSRLTNS-UHFFFAOYSA-N -1 1 273.307 2.743 20 0 CFADMM CCC[C@H](C)C[C@@H](NCc1ccc(C)o1)C(=O)[O-] ZINC000426823221 528039238 /nfs/dbraw/zinc/03/92/38/528039238.db2.gz IINOPZFMSPDGPW-GXFFZTMASA-N -1 1 253.342 2.957 20 0 CFADMM CCCc1cc(=O)[n-]c(SC[C@H]2CCC[C@@H](O)C2)n1 ZINC000311927592 528614087 /nfs/dbraw/zinc/61/40/87/528614087.db2.gz HODPTFPQTVLAKH-CMPLNLGQSA-N -1 1 282.409 2.778 20 0 CFADMM CCCCc1nnc(NC(=O)c2ccc(O)cc2[O-])s1 ZINC000192689104 529052780 /nfs/dbraw/zinc/05/27/80/529052780.db2.gz WWXYYTCTYAXCBB-UHFFFAOYSA-N -1 1 293.348 2.544 20 0 CFADMM CCCCc1nnc([N-]C(=O)c2ncncc2Cl)s1 ZINC000175162305 529053317 /nfs/dbraw/zinc/05/33/17/529053317.db2.gz JLZXGHZKQBUFLG-UHFFFAOYSA-N -1 1 297.771 2.576 20 0 CFADMM CCOCc1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000171470543 529060488 /nfs/dbraw/zinc/06/04/88/529060488.db2.gz OUDXUMGGHDKHIB-UHFFFAOYSA-N -1 1 287.315 2.887 20 0 CFADMM CC[C@@H]1C[C@H]1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000449821899 535905817 /nfs/dbraw/zinc/90/58/17/535905817.db2.gz SYQMONDZKYEUPS-RKDXNWHRSA-N -1 1 261.350 2.545 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@H]2CCC[C@H]2C)c1 ZINC000436513390 536791071 /nfs/dbraw/zinc/79/10/71/536791071.db2.gz NDDRVPAJLYHDAF-GHMZBOCLSA-N -1 1 291.347 2.944 20 0 CFADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])C1CCC1 ZINC000160222163 545515230 /nfs/dbraw/zinc/51/52/30/545515230.db2.gz IEPHLFGDPPBHKJ-MRVPVSSYSA-N -1 1 253.729 2.964 20 0 CFADMM Cc1noc(C)c1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000037088267 545561010 /nfs/dbraw/zinc/56/10/10/545561010.db2.gz CJTYCTAQVJTCMT-NSHDSACASA-N -1 1 280.349 2.659 20 0 CFADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NC1CCCC1 ZINC000738437698 574053586 /nfs/dbraw/zinc/05/35/86/574053586.db2.gz TVFSKAAKCBVZEW-UHFFFAOYSA-N -1 1 280.335 2.769 20 0 CFADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NC1CCCC1 ZINC000738437698 574053590 /nfs/dbraw/zinc/05/35/90/574053590.db2.gz TVFSKAAKCBVZEW-UHFFFAOYSA-N -1 1 280.335 2.769 20 0 CFADMM CCCCCC[C@H](C)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000736448490 574054887 /nfs/dbraw/zinc/05/48/87/574054887.db2.gz YUCMZMRZLWOITC-LBPRGKRZSA-N -1 1 293.415 2.512 20 0 CFADMM CCCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000736461786 574056363 /nfs/dbraw/zinc/05/63/63/574056363.db2.gz UKMWPFADGHJERO-UHFFFAOYSA-N -1 1 268.324 2.627 20 0 CFADMM CCCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000736461786 574056364 /nfs/dbraw/zinc/05/63/64/574056364.db2.gz UKMWPFADGHJERO-UHFFFAOYSA-N -1 1 268.324 2.627 20 0 CFADMM CN(CCC1CCCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC000736792271 574075504 /nfs/dbraw/zinc/07/55/04/574075504.db2.gz LURLIVJNWROKLF-UHFFFAOYSA-N -1 1 286.383 2.668 20 0 CFADMM CN(CCC1CCCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC000736792271 574075505 /nfs/dbraw/zinc/07/55/05/574075505.db2.gz LURLIVJNWROKLF-UHFFFAOYSA-N -1 1 286.383 2.668 20 0 CFADMM CC[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1)N(CC)CC ZINC000736860025 574082303 /nfs/dbraw/zinc/08/23/03/574082303.db2.gz OEFMJPHUDIIOGS-CQSZACIVSA-N -1 1 293.363 2.548 20 0 CFADMM O=C(OCC[C@@H]1CCCCO1)c1ccc([O-])cc1F ZINC000754869122 574126270 /nfs/dbraw/zinc/12/62/70/574126270.db2.gz WYHJMWUYMZYXLR-NSHDSACASA-N -1 1 268.284 2.647 20 0 CFADMM CN(Cc1nccs1)C(=O)c1c([O-])cccc1Cl ZINC000746409438 574148518 /nfs/dbraw/zinc/14/85/18/574148518.db2.gz DGPCFEZZROHWLQ-UHFFFAOYSA-N -1 1 282.752 2.774 20 0 CFADMM Cc1[nH]c(C(=O)CN2CCC[C@H](C)[C@@H]2C)c(C)c1C(=O)[O-] ZINC000738153724 574158666 /nfs/dbraw/zinc/15/86/66/574158666.db2.gz ONQHMOSURFRVJT-CABZTGNLSA-N -1 1 292.379 2.633 20 0 CFADMM CC(C)n1ccc(CNC(=O)c2c([O-])cccc2Cl)n1 ZINC000738547507 574172629 /nfs/dbraw/zinc/17/26/29/574172629.db2.gz FRWGLGKRSSCKRM-UHFFFAOYSA-N -1 1 293.754 2.753 20 0 CFADMM O=C([O-])N1CCC(Nc2ccnc3cc(F)ccc32)CC1 ZINC000738641749 574177908 /nfs/dbraw/zinc/17/79/08/574177908.db2.gz YALXQLJSWCLKES-UHFFFAOYSA-N -1 1 289.310 2.928 20 0 CFADMM Cc1cccc(S(=O)(=O)Nc2ccsc2)c1C(=O)[O-] ZINC000738746117 574182862 /nfs/dbraw/zinc/18/28/62/574182862.db2.gz DAAQBSSWTAMUJJ-UHFFFAOYSA-N -1 1 297.357 2.556 20 0 CFADMM C[C@@H]1CN(Cc2ccccc2Cl)CC[C@H]1NC(=O)[O-] ZINC000739194954 574200482 /nfs/dbraw/zinc/20/04/82/574200482.db2.gz WYDDNGLMHVMTOX-ZWNOBZJWSA-N -1 1 282.771 2.818 20 0 CFADMM C[C@@H]1CN(Cc2cccc3cccnc32)C[C@@H](C)N1C(=O)[O-] ZINC000739194266 574200594 /nfs/dbraw/zinc/20/05/94/574200594.db2.gz VQVKYCSVBLKZBQ-CHWSQXEVSA-N -1 1 299.374 2.807 20 0 CFADMM CC(C)CCCCCC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000747907201 574218714 /nfs/dbraw/zinc/21/87/14/574218714.db2.gz JTHSKOLDZHNYHV-UHFFFAOYSA-N -1 1 293.415 2.692 20 0 CFADMM CCS[C@H]1CCC[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000748723618 574263116 /nfs/dbraw/zinc/26/31/16/574263116.db2.gz UAVYXVHYDWUDIV-SFYZADRCSA-N -1 1 255.305 2.729 20 0 CFADMM Cc1ccc2nc(-c3cccc(F)n3)[n-]c(=O)c2c1 ZINC000756853049 574268781 /nfs/dbraw/zinc/26/87/81/574268781.db2.gz DSGSQKFVHNQEDE-UHFFFAOYSA-N -1 1 255.252 2.845 20 0 CFADMM CC(C)[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccn1 ZINC000749396666 574293371 /nfs/dbraw/zinc/29/33/71/574293371.db2.gz KCGLWVBCQXSWEH-SECBINFHSA-N -1 1 278.249 2.795 20 0 CFADMM Cc1[nH]nc(C(=O)Nc2ccccc2SC(F)F)c1[O-] ZINC000749410172 574294326 /nfs/dbraw/zinc/29/43/26/574294326.db2.gz JBOURKXBWSOCEA-UHFFFAOYSA-N -1 1 299.302 2.991 20 0 CFADMM Cc1cc(C(=O)[N-]c2c3nsnc3ccc2Cl)no1 ZINC000742203097 574318773 /nfs/dbraw/zinc/31/87/73/574318773.db2.gz RHFNYGXNTCJROX-UHFFFAOYSA-N -1 1 294.723 2.893 20 0 CFADMM CC(C)[C@H](C)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000735703631 574333699 /nfs/dbraw/zinc/33/36/99/574333699.db2.gz VTSWFOHUOKSKGU-MRVPVSSYSA-N -1 1 280.763 2.619 20 0 CFADMM CC(C)[C@H](C)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000735703631 574333702 /nfs/dbraw/zinc/33/37/02/574333702.db2.gz VTSWFOHUOKSKGU-MRVPVSSYSA-N -1 1 280.763 2.619 20 0 CFADMM CC(C)c1cccc(Nc2nccnc2-c2nnn[n-]2)c1 ZINC000735933672 574342619 /nfs/dbraw/zinc/34/26/19/574342619.db2.gz ZTUWGJFNIGYEIC-UHFFFAOYSA-N -1 1 281.323 2.524 20 0 CFADMM CC(C)c1cccc(Nc2nccnc2-c2nn[n-]n2)c1 ZINC000735933672 574342622 /nfs/dbraw/zinc/34/26/22/574342622.db2.gz ZTUWGJFNIGYEIC-UHFFFAOYSA-N -1 1 281.323 2.524 20 0 CFADMM Cc1ccc(-c2cc(C(=O)OCCOC3CCC3)[nH]n2)o1 ZINC000750771261 574354652 /nfs/dbraw/zinc/35/46/52/574354652.db2.gz MUXGHCJZCUMAJN-UHFFFAOYSA-N -1 1 290.319 2.704 20 0 CFADMM C[C@H]1CCC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000736259335 574358414 /nfs/dbraw/zinc/35/84/14/574358414.db2.gz DNDLZOCUQBRKFT-WDSKDSINSA-N -1 1 284.776 2.577 20 0 CFADMM C[C@H]1CCC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000736259335 574358418 /nfs/dbraw/zinc/35/84/18/574358418.db2.gz DNDLZOCUQBRKFT-WDSKDSINSA-N -1 1 284.776 2.577 20 0 CFADMM C/C=C(\C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000750894304 574359848 /nfs/dbraw/zinc/35/98/48/574359848.db2.gz DHVOJNGAOUHLLD-ONNFQVAWSA-N -1 1 262.305 2.647 20 0 CFADMM CCCc1ncc(C(=O)[N-]c2nc(C3CC3)no2)s1 ZINC000743419040 574363503 /nfs/dbraw/zinc/36/35/03/574363503.db2.gz KFLVRBJEAIQKKE-UHFFFAOYSA-N -1 1 278.337 2.608 20 0 CFADMM CC[C@@H](Cc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000736353728 574364036 /nfs/dbraw/zinc/36/40/36/574364036.db2.gz XARRAUVBZSIECR-ZDUSSCGKSA-N -1 1 294.362 2.695 20 0 CFADMM CC[C@@H](Cc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000736353728 574364037 /nfs/dbraw/zinc/36/40/37/574364037.db2.gz XARRAUVBZSIECR-ZDUSSCGKSA-N -1 1 294.362 2.695 20 0 CFADMM CC(C)(C)OC(=O)CCNC(=O)c1c([O-])cccc1Cl ZINC000743502680 574367323 /nfs/dbraw/zinc/36/73/23/574367323.db2.gz HOTRYDPSVFHBIA-UHFFFAOYSA-N -1 1 299.754 2.507 20 0 CFADMM CC1(C)[C@@H]2CN(C(=O)c3c([O-])cccc3Cl)C[C@@H]21 ZINC000743706005 574371163 /nfs/dbraw/zinc/37/11/63/574371163.db2.gz WOLZLLUMMHJTCQ-DTORHVGOSA-N -1 1 265.740 2.774 20 0 CFADMM O=C(O[C@H]1CCCCC1=O)c1cc(F)cc(Cl)c1[O-] ZINC000751732657 574381620 /nfs/dbraw/zinc/38/16/20/574381620.db2.gz SMUDPZORHVFLJH-NSHDSACASA-N -1 1 286.686 2.853 20 0 CFADMM CC[C@H](C[N-]C(=O)C(F)(F)F)Oc1cccc(C)c1 ZINC000752747860 574394551 /nfs/dbraw/zinc/39/45/51/574394551.db2.gz UXNJXZQPKCPWIF-SNVBAGLBSA-N -1 1 275.270 2.831 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1(C(C)C)CC1 ZINC000753320507 574401428 /nfs/dbraw/zinc/40/14/28/574401428.db2.gz WWPWBYQGZBXGGK-UHFFFAOYSA-N -1 1 291.395 2.780 20 0 CFADMM Cc1nnsc1[C@@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000901530605 620847125 /nfs/dbraw/zinc/84/71/25/620847125.db2.gz JIKPASSBZPFNRF-MRVPVSSYSA-N -1 1 282.394 2.812 20 0 CFADMM CCCCc1nc(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)cs1 ZINC000829439713 601526072 /nfs/dbraw/zinc/52/60/72/601526072.db2.gz CUCYDSDLVLMCCQ-ZYHUDNBSSA-N -1 1 282.409 2.638 20 0 CFADMM O=C([O-])Cc1cccc(NCc2[nH]nc3ccccc32)c1 ZINC000819585812 597138851 /nfs/dbraw/zinc/13/88/51/597138851.db2.gz KBJNVAKKSSFXLR-UHFFFAOYSA-N -1 1 281.315 2.802 20 0 CFADMM O=C([O-])c1cccc(CN2CCC[C@@H](OC(F)F)C2)c1 ZINC000821551771 597707509 /nfs/dbraw/zinc/70/75/09/597707509.db2.gz ALDRHSJMLPJKRD-GFCCVEGCSA-N -1 1 285.290 2.588 20 0 CFADMM CCN(C(=O)c1c([O-])cnc2c(F)cccc21)C1CC1 ZINC000900104780 620640108 /nfs/dbraw/zinc/64/01/08/620640108.db2.gz IIKLWOBTXMXAGD-UHFFFAOYSA-N -1 1 274.295 2.704 20 0 CFADMM CCCCC[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900110058 620640786 /nfs/dbraw/zinc/64/07/86/620640786.db2.gz DKSYCAKWMQAHHV-SNVBAGLBSA-N -1 1 277.368 2.758 20 0 CFADMM O=C([O-])c1ccc(CN(Cc2ccncc2)C2CC2)cc1 ZINC000821545132 598162228 /nfs/dbraw/zinc/16/22/28/598162228.db2.gz SXSMTBABAQRUKP-UHFFFAOYSA-N -1 1 282.343 2.944 20 0 CFADMM Cc1n[nH]c(C(F)F)c1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000820934283 598213179 /nfs/dbraw/zinc/21/31/79/598213179.db2.gz RSMYRYWMXRUUJU-UHFFFAOYSA-N -1 1 295.245 2.606 20 0 CFADMM Cc1[nH]c(C(=O)CN2C[C@@H](C)CC[C@@H]2C)c(C)c1C(=O)[O-] ZINC000832843825 601052136 /nfs/dbraw/zinc/05/21/36/601052136.db2.gz HKRXLHAOLDNUPK-UWVGGRQHSA-N -1 1 292.379 2.633 20 0 CFADMM C/C(=C\CN[C@@H](c1ccccc1)c1ccccn1)C(=O)[O-] ZINC000825747183 601154838 /nfs/dbraw/zinc/15/48/38/601154838.db2.gz QKOLCEDKDOCAKC-ISBHARSQSA-N -1 1 282.343 2.792 20 0 CFADMM CN(Cc1cccc(O)c1)Cc1ccc(F)cc1C(=O)[O-] ZINC000830852675 601169768 /nfs/dbraw/zinc/16/97/68/601169768.db2.gz UFFVCQRKTHBILN-UHFFFAOYSA-N -1 1 289.306 2.862 20 0 CFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H]1C ZINC000832916638 601429474 /nfs/dbraw/zinc/42/94/74/601429474.db2.gz MOENYALOPKJRHP-NWDGAFQWSA-N -1 1 290.363 2.505 20 0 CFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H]1C ZINC000832916636 601429519 /nfs/dbraw/zinc/42/95/19/601429519.db2.gz MOENYALOPKJRHP-NEPJUHHUSA-N -1 1 290.363 2.505 20 0 CFADMM C[C@@H]1CN(Cc2coc(-c3cccs3)n2)C[C@H]1C(=O)[O-] ZINC000235405771 601537945 /nfs/dbraw/zinc/53/79/45/601537945.db2.gz MCXISRAHPDSUAV-MWLCHTKSSA-N -1 1 292.360 2.556 20 0 CFADMM CCCCOCCN(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000829413501 601828066 /nfs/dbraw/zinc/82/80/66/601828066.db2.gz RXWWKWYSUCDKBF-AWEZNQCLSA-N -1 1 265.353 2.561 20 0 CFADMM O=C([O-])c1ccc(CSc2nc(C3CC3)n[nH]2)s1 ZINC000020395495 601844838 /nfs/dbraw/zinc/84/48/38/601844838.db2.gz WHOBMVMDJCUFIB-UHFFFAOYSA-N -1 1 281.362 2.734 20 0 CFADMM O=C([O-])c1ccc(CSc2n[nH]c(C3CC3)n2)s1 ZINC000020395495 601844839 /nfs/dbraw/zinc/84/48/39/601844839.db2.gz WHOBMVMDJCUFIB-UHFFFAOYSA-N -1 1 281.362 2.734 20 0 CFADMM CCCCCSCc1ccnc(-c2nnn[n-]2)c1 ZINC000825275842 607534152 /nfs/dbraw/zinc/53/41/52/607534152.db2.gz DNDNBAGJSSTZQL-UHFFFAOYSA-N -1 1 263.370 2.685 20 0 CFADMM CCCCCSCc1ccnc(-c2nn[n-]n2)c1 ZINC000825275842 607534153 /nfs/dbraw/zinc/53/41/53/607534153.db2.gz DNDNBAGJSSTZQL-UHFFFAOYSA-N -1 1 263.370 2.685 20 0 CFADMM Cc1cccc(CN(C)Cc2ccc(C(=O)[O-])s2)n1 ZINC000094919844 601959609 /nfs/dbraw/zinc/95/96/09/601959609.db2.gz ZQYUGDOQSZRTSI-UHFFFAOYSA-N -1 1 276.361 2.782 20 0 CFADMM C[C@H](c1cccc(F)c1)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739057081 601967281 /nfs/dbraw/zinc/96/72/81/601967281.db2.gz KZYJEZXPIHYVOE-RISCZKNCSA-N -1 1 280.343 2.961 20 0 CFADMM CCc1cccc(C)c1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000825723232 607547050 /nfs/dbraw/zinc/54/70/50/607547050.db2.gz UZVNAJSHICJQLQ-UHFFFAOYSA-N -1 1 294.362 2.745 20 0 CFADMM CCc1cccc(C)c1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000825723232 607547052 /nfs/dbraw/zinc/54/70/52/607547052.db2.gz UZVNAJSHICJQLQ-UHFFFAOYSA-N -1 1 294.362 2.745 20 0 CFADMM CN(C(=O)[O-])C1CCN(Cc2ccccc2Cl)CC1 ZINC000203854136 602529783 /nfs/dbraw/zinc/52/97/83/602529783.db2.gz AAIJZEWYPKDKIG-UHFFFAOYSA-N -1 1 282.771 2.914 20 0 CFADMM Cc1nc(CN2CCC[C@@H](CN(C)C(=O)[O-])C2)sc1C ZINC000830747071 603524833 /nfs/dbraw/zinc/52/48/33/603524833.db2.gz ZNHHQCPXIAFZBS-LBPRGKRZSA-N -1 1 297.424 2.582 20 0 CFADMM CCN(C(=O)c1c([O-])cnc2c(F)cccc21)C(C)C ZINC000900295058 620659417 /nfs/dbraw/zinc/65/94/17/620659417.db2.gz TZKOYQCUNPQOTL-UHFFFAOYSA-N -1 1 276.311 2.950 20 0 CFADMM CSc1ccc(CN2CC[C@@H](N(C)C(=O)[O-])C2)cc1 ZINC000829761038 603821220 /nfs/dbraw/zinc/82/12/20/603821220.db2.gz VOXNLDVGINNSRZ-GFCCVEGCSA-N -1 1 280.393 2.593 20 0 CFADMM CN(Cc1ccc(F)cc1F)C1CCN(C(=O)[O-])CC1 ZINC000828355140 603965199 /nfs/dbraw/zinc/96/51/99/603965199.db2.gz IQMDUMUIPZRVFB-UHFFFAOYSA-N -1 1 284.306 2.539 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000825262955 604204515 /nfs/dbraw/zinc/20/45/15/604204515.db2.gz DPDMSSGGEDYBCY-GHMZBOCLSA-N -1 1 298.333 2.833 20 0 CFADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(Cl)nc2)C1 ZINC000825264457 604233752 /nfs/dbraw/zinc/23/37/52/604233752.db2.gz KIXXLGRDGMBRIQ-PWSUYJOCSA-N -1 1 297.786 2.603 20 0 CFADMM C[C@@H](N[C@H]1CCN(C(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000825479456 604316018 /nfs/dbraw/zinc/31/60/18/604316018.db2.gz NANYWUXPHZCUNB-SCZZXKLOSA-N -1 1 286.734 2.882 20 0 CFADMM CC(C)[C@H](CN[C@H](C)c1cccnc1Cl)NC(=O)[O-] ZINC000825483773 604333026 /nfs/dbraw/zinc/33/30/26/604333026.db2.gz AEMGGVBTRSHPFI-KOLCDFICSA-N -1 1 285.775 2.678 20 0 CFADMM CN(C/C(Cl)=C/Cl)C1(C(=O)[O-])CCCC1 ZINC000309105691 604455756 /nfs/dbraw/zinc/45/57/56/604455756.db2.gz LXHYCCWNKSCVNT-VURMDHGXSA-N -1 1 252.141 2.635 20 0 CFADMM CCc1ccc(CNC[C@@H](NC(=O)[O-])c2ccccc2)o1 ZINC000827585082 604516504 /nfs/dbraw/zinc/51/65/04/604516504.db2.gz ZIZQAXLIHVEHTP-OAHLLOKOSA-N -1 1 288.347 2.941 20 0 CFADMM COc1ccc2oc(CN3CCCC[C@H]3C(=O)[O-])cc2c1 ZINC000263420556 604522258 /nfs/dbraw/zinc/52/22/58/604522258.db2.gz ORWDUOQPCIZXRF-AWEZNQCLSA-N -1 1 289.331 2.881 20 0 CFADMM O=C([O-])[C@@H]1CCCN1Cc1ccc(-c2ccccc2)o1 ZINC000263433671 604524532 /nfs/dbraw/zinc/52/45/32/604524532.db2.gz SYSVUCRKXAJIEG-AWEZNQCLSA-N -1 1 271.316 2.996 20 0 CFADMM CC(C)N(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccn1 ZINC000833497095 604592110 /nfs/dbraw/zinc/59/21/10/604592110.db2.gz YTKVLSXZRMAIBH-UHFFFAOYSA-N -1 1 273.336 2.519 20 0 CFADMM Cc1nc(C)c([C@H](C)N(C)Cc2c[nH]c(C(=O)[O-])c2)s1 ZINC000833754683 604637469 /nfs/dbraw/zinc/63/74/69/604637469.db2.gz CARODPLYXRDTPD-VIFPVBQESA-N -1 1 293.392 2.979 20 0 CFADMM O=C([O-])[C@H]1CC12CCN(Cc1c(F)cccc1F)CC2 ZINC000405444811 604649236 /nfs/dbraw/zinc/64/92/36/604649236.db2.gz RWTDXSAXVUADQH-LLVKDONJSA-N -1 1 281.302 2.652 20 0 CFADMM O=C([O-])c1cc(CN2CCS[C@H]3CCCC[C@H]32)c[nH]1 ZINC000833779979 604663194 /nfs/dbraw/zinc/66/31/94/604663194.db2.gz PSOOCLXBXKVBLF-OLZOCXBDSA-N -1 1 280.393 2.573 20 0 CFADMM C[C@@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccco1 ZINC000825501107 604941908 /nfs/dbraw/zinc/94/19/08/604941908.db2.gz BTJSRIUSGUIQDU-GFCCVEGCSA-N -1 1 288.347 2.941 20 0 CFADMM O=C([O-])[C@@H](NCc1ccccc1Cl)c1cccnc1 ZINC000833168896 604986925 /nfs/dbraw/zinc/98/69/25/604986925.db2.gz AMIWHBDJBUQMKP-ZDUSSCGKSA-N -1 1 276.723 2.651 20 0 CFADMM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(F)cc1F ZINC000827717522 605006375 /nfs/dbraw/zinc/00/63/75/605006375.db2.gz JFXIJRWCEYNPGY-YMTOWFKASA-N -1 1 292.285 2.836 20 0 CFADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](C(F)(F)F)C1 ZINC000388284179 605054550 /nfs/dbraw/zinc/05/45/50/605054550.db2.gz SEMNFBSVHCISHF-HTQZYQBOSA-N -1 1 277.242 2.923 20 0 CFADMM C/C(=C/CN1CC[C@@H](Oc2ccccc2Cl)C1)C(=O)[O-] ZINC000833383005 605086980 /nfs/dbraw/zinc/08/69/80/605086980.db2.gz MGAQRORGGANIHX-HUMZTAOYSA-N -1 1 295.766 2.824 20 0 CFADMM C[C@@H](c1cccs1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833549598 605104799 /nfs/dbraw/zinc/10/47/99/605104799.db2.gz FJYFTCMWFOERHY-VIFPVBQESA-N -1 1 264.350 2.967 20 0 CFADMM C[C@@H]1CC[C@@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)C1 ZINC000833606495 605154169 /nfs/dbraw/zinc/15/41/69/605154169.db2.gz QIKHQWSFHJGOPR-RKDXNWHRSA-N -1 1 287.319 2.636 20 0 CFADMM CCCc1nc(CN[C@@](C)(CNC(=O)[O-])C2CC2)cs1 ZINC000826954292 605170966 /nfs/dbraw/zinc/17/09/66/605170966.db2.gz POGQXHNIRWTHBK-AWEZNQCLSA-N -1 1 297.424 2.622 20 0 CFADMM C/C(=C\CN[C@@H](C)c1cccc(F)c1F)C(=O)[O-] ZINC000833385350 605184432 /nfs/dbraw/zinc/18/44/32/605184432.db2.gz SBYMFHOKUHKGSO-ORZBULNSSA-N -1 1 255.264 2.646 20 0 CFADMM CC(C)COc1cccc(CN2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000833490631 605248130 /nfs/dbraw/zinc/24/81/30/605248130.db2.gz LJWUMOGMKWBQJX-MRXNPFEDSA-N -1 1 295.354 2.720 20 0 CFADMM O=C([O-])NCc1cccc(NCc2[nH]nc3ccccc32)c1 ZINC000832730207 605248973 /nfs/dbraw/zinc/24/89/73/605248973.db2.gz NSCXCPFWTNCRGU-UHFFFAOYSA-N -1 1 296.330 2.943 20 0 CFADMM Cc1nc([C@H](C)NC[C@@H]2CCCCN2C(=O)[O-])cs1 ZINC000830708742 605479627 /nfs/dbraw/zinc/47/96/27/605479627.db2.gz CCMXFIYYFCPYDL-ONGXEEELSA-N -1 1 283.397 2.635 20 0 CFADMM Cc1nc([C@@H](C)NCCCN(C(=O)[O-])C(C)C)cs1 ZINC000830709580 605480375 /nfs/dbraw/zinc/48/03/75/605480375.db2.gz MNQSTUQCRLQPOM-SNVBAGLBSA-N -1 1 285.413 2.881 20 0 CFADMM O=C([O-])Nc1cccc(CN[C@@H](CO)c2ccccc2)c1 ZINC000834269635 605933744 /nfs/dbraw/zinc/93/37/44/605933744.db2.gz KGOZVPPTRRGGHR-HNNXBMFYSA-N -1 1 286.331 2.600 20 0 CFADMM O=C([O-])N1CC[C@H](N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000834081087 606009219 /nfs/dbraw/zinc/00/92/19/606009219.db2.gz APWIOPQJTAICGJ-HOTGVXAUSA-N -1 1 297.358 2.513 20 0 CFADMM CC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCC1 ZINC000820623386 606428642 /nfs/dbraw/zinc/42/86/42/606428642.db2.gz OAVKJMFACUVJDJ-UHFFFAOYSA-N -1 1 278.747 2.517 20 0 CFADMM CC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCC1 ZINC000820623386 606428644 /nfs/dbraw/zinc/42/86/44/606428644.db2.gz OAVKJMFACUVJDJ-UHFFFAOYSA-N -1 1 278.747 2.517 20 0 CFADMM CC[C@H](C)CN(CC)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820870085 606470606 /nfs/dbraw/zinc/47/06/06/606470606.db2.gz MPNGONJLBNRNNJ-VIFPVBQESA-N -1 1 294.790 2.788 20 0 CFADMM CC[C@H](C)CN(CC)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820870085 606470608 /nfs/dbraw/zinc/47/06/08/606470608.db2.gz MPNGONJLBNRNNJ-VIFPVBQESA-N -1 1 294.790 2.788 20 0 CFADMM CC[C@@H]1CCC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820978672 606807312 /nfs/dbraw/zinc/80/73/12/606807312.db2.gz CCHBBFQGOPRZKD-RNFRBKRXSA-N -1 1 298.803 2.967 20 0 CFADMM CC[C@@H]1CCC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820978672 606807313 /nfs/dbraw/zinc/80/73/13/606807313.db2.gz CCHBBFQGOPRZKD-RNFRBKRXSA-N -1 1 298.803 2.967 20 0 CFADMM CC[C@]1(C)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820958634 606949295 /nfs/dbraw/zinc/94/92/95/606949295.db2.gz WIQIIQYZJAQSOG-CYBMUJFWSA-N -1 1 292.774 2.542 20 0 CFADMM CC[C@]1(C)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000820958634 606949296 /nfs/dbraw/zinc/94/92/96/606949296.db2.gz WIQIIQYZJAQSOG-CYBMUJFWSA-N -1 1 292.774 2.542 20 0 CFADMM c1cc(Oc2ccc3c(c2)CCC3)nc(-c2nnn[n-]2)c1 ZINC000095163577 607894154 /nfs/dbraw/zinc/89/41/54/607894154.db2.gz PUWQUOXADRYOSH-UHFFFAOYSA-N -1 1 279.303 2.543 20 0 CFADMM c1cc(Oc2ccc3c(c2)CCC3)nc(-c2nn[n-]n2)c1 ZINC000095163577 607894155 /nfs/dbraw/zinc/89/41/55/607894155.db2.gz PUWQUOXADRYOSH-UHFFFAOYSA-N -1 1 279.303 2.543 20 0 CFADMM c1ccc(CSc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000095168666 607894627 /nfs/dbraw/zinc/89/46/27/607894627.db2.gz GOVUTWYRDDHFNU-UHFFFAOYSA-N -1 1 269.333 2.554 20 0 CFADMM c1ccc(CSc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000095168666 607894628 /nfs/dbraw/zinc/89/46/28/607894628.db2.gz GOVUTWYRDDHFNU-UHFFFAOYSA-N -1 1 269.333 2.554 20 0 CFADMM c1nc2ccc(Nc3cccc(-c4nnn[n-]4)n3)cc2s1 ZINC000826517707 607896587 /nfs/dbraw/zinc/89/65/87/607896587.db2.gz MGVQJBVYMFFLJQ-UHFFFAOYSA-N -1 1 295.331 2.615 20 0 CFADMM c1nc2ccc(Nc3cccc(-c4nn[n-]n4)n3)cc2s1 ZINC000826517707 607896588 /nfs/dbraw/zinc/89/65/88/607896588.db2.gz MGVQJBVYMFFLJQ-UHFFFAOYSA-N -1 1 295.331 2.615 20 0 CFADMM Clc1ccc2[nH]c(-c3ccc(-c4nn[n-]n4)o3)nc2c1 ZINC000826352910 607974435 /nfs/dbraw/zinc/97/44/35/607974435.db2.gz SOEBWJYAGFSESB-UHFFFAOYSA-N -1 1 286.682 2.656 20 0 CFADMM C[C@@H]1CC[C@H](C)N1c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000824907590 608123544 /nfs/dbraw/zinc/12/35/44/608123544.db2.gz JHWGZPFOSYCAOW-PHIMTYICSA-N -1 1 294.362 2.792 20 0 CFADMM C[C@@H]1CC[C@H](C)N1c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000824907590 608123545 /nfs/dbraw/zinc/12/35/45/608123545.db2.gz JHWGZPFOSYCAOW-PHIMTYICSA-N -1 1 294.362 2.792 20 0 CFADMM Fc1cccc([C@@H]2CCN2Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000826376365 608736997 /nfs/dbraw/zinc/73/69/97/608736997.db2.gz ACCSCRUCNXVJBV-ZDUSSCGKSA-N -1 1 299.309 2.546 20 0 CFADMM Fc1cccc2c1CCCN2Cc1ccc(-c2nnn[n-]2)o1 ZINC000826377902 609174397 /nfs/dbraw/zinc/17/43/97/609174397.db2.gz LISFHYMUAYZVQY-UHFFFAOYSA-N -1 1 299.309 2.552 20 0 CFADMM Fc1cccc2c1CCCN2Cc1ccc(-c2nn[n-]n2)o1 ZINC000826377902 609174399 /nfs/dbraw/zinc/17/43/99/609174399.db2.gz LISFHYMUAYZVQY-UHFFFAOYSA-N -1 1 299.309 2.552 20 0 CFADMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900826732 620717922 /nfs/dbraw/zinc/71/79/22/620717922.db2.gz 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628311904 /nfs/dbraw/zinc/31/19/04/628311904.db2.gz TTXXEOYEGBVQFF-ZYHUDNBSSA-N -1 1 297.782 2.669 20 0 CFADMM O=C(OCc1ccc(CO)cc1)c1cc(-c2ccco2)n[nH]1 ZINC000778769418 628331150 /nfs/dbraw/zinc/33/11/50/628331150.db2.gz QEOKVGRUIGWTJC-UHFFFAOYSA-N -1 1 298.298 2.519 20 0 CFADMM CSCCOC(=O)c1ccc(Br)c([O-])c1 ZINC000778828491 628335138 /nfs/dbraw/zinc/33/51/38/628335138.db2.gz NFYATBGMWSLWRB-UHFFFAOYSA-N -1 1 291.166 2.675 20 0 CFADMM CSCc1cccc(C[N-]C(=O)C(F)(F)F)c1 ZINC000783824862 628747863 /nfs/dbraw/zinc/74/78/63/628747863.db2.gz LOAVGQLENDLDBM-UHFFFAOYSA-N -1 1 263.284 2.728 20 0 CFADMM Cc1nnc([C@@H](C)OC(=O)c2ccc([O-])cc2F)s1 ZINC000784515685 628823751 /nfs/dbraw/zinc/82/37/51/628823751.db2.gz DKAUWNLVRJUDMX-ZCFIWIBFSA-N -1 1 282.296 2.609 20 0 CFADMM CC[C@]1(C)CN(C(=O)c2c([O-])cccc2Cl)CCO1 ZINC000785672874 628903199 /nfs/dbraw/zinc/90/31/99/628903199.db2.gz IMEYKSBEADVNGZ-CQSZACIVSA-N -1 1 283.755 2.687 20 0 CFADMM Cc1cncc(COC(=O)c2ccc([O-])cc2F)c1 ZINC000785684397 628905088 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283.287 2.821 20 0 CFADMM COc1ccc(-c2noc(-c3ncccc3[O-])n2)c(F)c1 ZINC001212480907 780395658 /nfs/dbraw/zinc/39/56/58/780395658.db2.gz PFROTCZWQXXICI-UHFFFAOYSA-N -1 1 287.250 2.652 20 0 CFADMM Cc1ncc(Cl)cc1-c1noc(-c2ncccc2[O-])n1 ZINC001212482944 780397634 /nfs/dbraw/zinc/39/76/34/780397634.db2.gz XBCMQNFVWWBAAW-UHFFFAOYSA-N -1 1 288.694 2.861 20 0 CFADMM Cc1nc2cccnc2c(-c2ccc([O-])c(F)c2)n1 ZINC001240781727 780434828 /nfs/dbraw/zinc/43/48/28/780434828.db2.gz GPTWLSFIQJPEIZ-UHFFFAOYSA-N -1 1 255.252 2.845 20 0 CFADMM CC(C)(C)OC(=O)c1ccnc(-c2ccc([O-])c(F)c2)n1 ZINC001240782315 780436857 /nfs/dbraw/zinc/43/68/57/780436857.db2.gz VPOBYMQDOUFPTF-UHFFFAOYSA-N -1 1 290.294 2.944 20 0 CFADMM [O-]c1ccc(-c2nc(C(F)(F)F)nc3[nH]cnc32)cc1F ZINC001240783086 780437127 /nfs/dbraw/zinc/43/71/27/780437127.db2.gz PLZNFAAEQBAAJO-UHFFFAOYSA-N -1 1 298.199 2.835 20 0 CFADMM CC[C@@H](C)n1c(=O)[nH]c(C)c(-c2ccc([O-])c(F)c2)c1=O ZINC001240786506 780440538 /nfs/dbraw/zinc/44/05/38/780440538.db2.gz KYYXVQKSZFDKIX-MRVPVSSYSA-N -1 1 292.310 2.740 20 0 CFADMM O=c1c(-c2ccc([O-])c(F)c2)cccn1-c1ccncc1 ZINC001240787368 780442220 /nfs/dbraw/zinc/44/22/20/780442220.db2.gz ALROPPAMPZROOK-UHFFFAOYSA-N -1 1 282.274 2.744 20 0 CFADMM O=C1Cc2cc(-c3cccc4cccnc43)ccc2C(=O)[N-]1 ZINC001240895842 780504392 /nfs/dbraw/zinc/50/43/92/780504392.db2.gz CDDDRDDWCNPKQH-UHFFFAOYSA-N -1 1 288.306 2.714 20 0 CFADMM Cn1ccc2c1ccnc2-c1ccc(CC(=O)[O-])cc1 ZINC001240971824 780560818 /nfs/dbraw/zinc/56/08/18/780560818.db2.gz KZAQEIULFDKMFT-UHFFFAOYSA-N -1 1 266.300 2.867 20 0 CFADMM COCc1ccnc(-c2c(F)cc([O-])cc2F)c1 ZINC001241116927 780645021 /nfs/dbraw/zinc/64/50/21/780645021.db2.gz IAMUFKJYEOPPOU-UHFFFAOYSA-N -1 1 251.232 2.879 20 0 CFADMM Cn1cnc2c1ccnc2-c1c(F)cc([O-])cc1F ZINC001241117675 780646243 /nfs/dbraw/zinc/64/62/43/780646243.db2.gz UTZDNHBRVLCPGN-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM Cn1cnc2cc(-c3c(F)cc([O-])cc3F)cnc21 ZINC001241121661 780650945 /nfs/dbraw/zinc/65/09/45/780650945.db2.gz AERONFLJLBONOW-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM COC(=O)c1cnccc1-c1c(F)cc([O-])cc1F ZINC001241121875 780651057 /nfs/dbraw/zinc/65/10/57/780651057.db2.gz QVPZTBXTNQUMJL-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM COC(=O)c1cc(F)ncc1-c1c(F)cc([O-])cc1F ZINC001241122878 780651975 /nfs/dbraw/zinc/65/19/75/780651975.db2.gz OLQUXKQRPNDDKZ-UHFFFAOYSA-N -1 1 283.205 2.658 20 0 CFADMM [O-]c1cc(F)c(-c2ccc(Cn3cncn3)cc2)c(F)c1 ZINC001241122546 780652262 /nfs/dbraw/zinc/65/22/62/780652262.db2.gz SHQGOSOSGCWNDL-UHFFFAOYSA-N -1 1 287.269 2.977 20 0 CFADMM O=C([O-])c1cc(-c2cc(-n3ccnc3)ccn2)ccc1F ZINC001241242546 780726164 /nfs/dbraw/zinc/72/61/64/780726164.db2.gz LQGBUUQLGVMWNT-UHFFFAOYSA-N -1 1 283.262 2.772 20 0 CFADMM CCN(C)c1cc(C)nc(-c2cc([O-])cc(F)c2)n1 ZINC001241257754 780738568 /nfs/dbraw/zinc/73/85/68/780738568.db2.gz QAIGBHJJCOMXAL-UHFFFAOYSA-N -1 1 261.300 2.753 20 0 CFADMM Cc1nc2c(ccn2C)c(-c2c(F)ccc([O-])c2F)n1 ZINC001241289216 780757674 /nfs/dbraw/zinc/75/76/74/780757674.db2.gz NKAZKMFNJCRLNT-UHFFFAOYSA-N -1 1 275.258 2.928 20 0 CFADMM C[C@H]1CC(=O)Nc2ncnc(-c3c(F)ccc([O-])c3F)c21 ZINC001241289076 780757698 /nfs/dbraw/zinc/75/76/98/780757698.db2.gz JWLQELRJWIVVMH-LURJTMIESA-N -1 1 291.257 2.573 20 0 CFADMM CC(C)c1nc(-c2c(F)ccc([O-])c2F)nc(N(C)C)n1 ZINC001241288905 780757787 /nfs/dbraw/zinc/75/77/87/780757787.db2.gz ARVNQMQTCFKCQL-UHFFFAOYSA-N -1 1 294.305 2.712 20 0 CFADMM CC1(C)C(=O)Nc2cc(-c3c(F)ccc([O-])c3F)ncc21 ZINC001241290938 780759904 /nfs/dbraw/zinc/75/99/04/780759904.db2.gz YGMOERDAKRFESX-UHFFFAOYSA-N -1 1 290.269 2.962 20 0 CFADMM CC(C)Oc1cc(-c2c(F)ccc([O-])c2F)ncn1 ZINC001241291513 780761479 /nfs/dbraw/zinc/76/14/79/780761479.db2.gz OBMBRZHOXVNWPQ-UHFFFAOYSA-N -1 1 266.247 2.915 20 0 CFADMM COC(=O)c1cccnc1-c1c(F)ccc([O-])c1F ZINC001241291937 780763239 /nfs/dbraw/zinc/76/32/39/780763239.db2.gz ZCQKBCBDLRXUIE-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM Cc1cn2cc(-c3c(F)ccc([O-])c3F)ncc2n1 ZINC001241293126 780763328 /nfs/dbraw/zinc/76/33/28/780763328.db2.gz QLZASPQQVYDWTR-UHFFFAOYSA-N -1 1 261.231 2.689 20 0 CFADMM Cn1ccc2nc(-c3c(F)ccc([O-])c3F)cnc21 ZINC001241293203 780763393 /nfs/dbraw/zinc/76/33/93/780763393.db2.gz SVFLBSLHZMRLCA-UHFFFAOYSA-N -1 1 261.231 2.619 20 0 CFADMM Cc1nc(-c2ccc(C(=O)[O-])c(Cl)c2)nc2nc[nH]c21 ZINC001241345166 780800326 /nfs/dbraw/zinc/80/03/26/780800326.db2.gz FILSYJYMFKMMBY-UHFFFAOYSA-N -1 1 288.694 2.632 20 0 CFADMM Oc1cccc([N-]c2nnc(Br)s2)c1F ZINC001212545768 781035077 /nfs/dbraw/zinc/03/50/77/781035077.db2.gz ODTNOWYAMCOASL-UHFFFAOYSA-N -1 1 290.117 2.889 20 0 CFADMM CCOC(=O)c1nc(C)oc1[N-]c1c(C)ccnc1F ZINC001212555771 781052333 /nfs/dbraw/zinc/05/23/33/781052333.db2.gz NFZHCHCJWUNBDW-UHFFFAOYSA-N -1 1 279.271 2.746 20 0 CFADMM CO[C@@H](C)c1cccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1 ZINC001242040670 781244579 /nfs/dbraw/zinc/24/45/79/781244579.db2.gz NXWPIUFVBQFNHC-NSHDSACASA-N -1 1 295.338 2.874 20 0 CFADMM COc1cncc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242131101 781294725 /nfs/dbraw/zinc/29/47/25/781294725.db2.gz BFIHZSMQIPOKMX-UHFFFAOYSA-N -1 1 270.210 2.877 20 0 CFADMM [O-]c1ccc(C(F)(F)F)cc1-c1nccn2ncnc12 ZINC001242145412 781299754 /nfs/dbraw/zinc/29/97/54/781299754.db2.gz RSRQVEACWBKQCL-UHFFFAOYSA-N -1 1 280.209 2.516 20 0 CFADMM [O-]c1ccc(-c2ncnc3c2COCC3)cc1C(F)(F)F ZINC001242151202 781302763 /nfs/dbraw/zinc/30/27/63/781302763.db2.gz HLFAYGQWCZSXBW-UHFFFAOYSA-N -1 1 296.248 2.941 20 0 CFADMM COC(=O)c1cc(-c2ccc([O-])c(C(F)(F)F)c2)ncn1 ZINC001242151589 781302923 /nfs/dbraw/zinc/30/29/23/781302923.db2.gz QUCUPRAPPRSHIN-UHFFFAOYSA-N -1 1 298.220 2.655 20 0 CFADMM COC(=O)c1ncc(-c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001242158400 781307766 /nfs/dbraw/zinc/30/77/66/781307766.db2.gz WLVWPWQODKCIQB-UHFFFAOYSA-N -1 1 298.220 2.655 20 0 CFADMM Cn1cc(C(F)(F)F)cc(-c2ccc(F)cc2[O-])c1=O ZINC001242218833 781333466 /nfs/dbraw/zinc/33/34/66/781333466.db2.gz BODVDYKPMHLBRJ-UHFFFAOYSA-N -1 1 287.212 2.916 20 0 CFADMM O=c1c(-c2ccc(F)cc2[O-])cccn1-c1ccncc1 ZINC001242219633 781334174 /nfs/dbraw/zinc/33/41/74/781334174.db2.gz YOSZABGILINHOW-UHFFFAOYSA-N -1 1 282.274 2.744 20 0 CFADMM Fc1cc(F)c(-c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC001242290299 781371750 /nfs/dbraw/zinc/37/17/50/781371750.db2.gz PTGXKNXTZYYRHU-UHFFFAOYSA-N -1 1 293.664 2.860 20 0 CFADMM Fc1cc(F)c(-c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC001242290299 781371758 /nfs/dbraw/zinc/37/17/58/781371758.db2.gz PTGXKNXTZYYRHU-UHFFFAOYSA-N -1 1 293.664 2.860 20 0 CFADMM COC(=O)c1cc(-c2cccc(F)c2[O-])c2nccn2c1 ZINC001242351555 781423467 /nfs/dbraw/zinc/42/34/67/781423467.db2.gz VZKSGJUMJYQXLC-UHFFFAOYSA-N -1 1 286.262 2.633 20 0 CFADMM CC[C@H](C)n1c(=O)[nH]c(C)c(-c2cccc(F)c2[O-])c1=O ZINC001242352056 781424441 /nfs/dbraw/zinc/42/44/41/781424441.db2.gz JPTXNZFYDRYDFF-QMMMGPOBSA-N -1 1 292.310 2.740 20 0 CFADMM O=c1cnc(-c2cccc(F)c2[O-])cn1-c1ccccc1 ZINC001242352882 781426857 /nfs/dbraw/zinc/42/68/57/781426857.db2.gz UKALCBTYTOLWTO-UHFFFAOYSA-N -1 1 282.274 2.744 20 0 CFADMM O=C1NCc2cc(-c3cccc(Cl)c3[O-])ccc21 ZINC001242364496 781437822 /nfs/dbraw/zinc/43/78/22/781437822.db2.gz KWWRKNVKIORNQU-UHFFFAOYSA-N -1 1 259.692 2.956 20 0 CFADMM COC(=O)[C@H](N)c1ccc(-c2cccc(Cl)c2[O-])cc1 ZINC001242366453 781439612 /nfs/dbraw/zinc/43/96/12/781439612.db2.gz XUNKBIDQPAMYAI-CYBMUJFWSA-N -1 1 291.734 2.885 20 0 CFADMM COc1cnc(-c2cccc([O-])c2Cl)nc1OC ZINC001242798365 781763680 /nfs/dbraw/zinc/76/36/80/781763680.db2.gz UOEBAEOBYRROSA-UHFFFAOYSA-N -1 1 266.684 2.520 20 0 CFADMM COC(=O)c1nc(-c2cccc([O-])c2Cl)cnc1C ZINC001242797107 781764186 /nfs/dbraw/zinc/76/41/86/781764186.db2.gz GGBJBOBSRKLUKS-UHFFFAOYSA-N -1 1 278.695 2.598 20 0 CFADMM Cn1cnc2cc(-c3cccc([O-])c3Cl)cnc21 ZINC001242800996 781765481 /nfs/dbraw/zinc/76/54/81/781765481.db2.gz VXBBRCOHORMFFS-UHFFFAOYSA-N -1 1 259.696 2.994 20 0 CFADMM CN1Cc2cc(-c3cccc([O-])c3Cl)cnc2C1=O ZINC001242799389 781766006 /nfs/dbraw/zinc/76/60/06/781766006.db2.gz IOUQQSXLPSNTJK-UHFFFAOYSA-N -1 1 274.707 2.693 20 0 CFADMM COC(=O)c1ncccc1-c1cccc([O-])c1Cl ZINC001242800261 781766181 /nfs/dbraw/zinc/76/61/81/781766181.db2.gz LAKCNUMIMJJILL-UHFFFAOYSA-N -1 1 263.680 2.894 20 0 CFADMM COCCn1cc(-c2cccc([O-])c2Cl)ccc1=O ZINC001242801584 781766754 /nfs/dbraw/zinc/76/67/54/781766754.db2.gz BANOCCLWHMKBCA-UHFFFAOYSA-N -1 1 279.723 2.521 20 0 CFADMM CNC(=O)c1cc(-c2cccc([O-])c2Cl)cnc1F ZINC001242803880 781768783 /nfs/dbraw/zinc/76/87/83/781768783.db2.gz ZCANXPCXNXMJTL-UHFFFAOYSA-N -1 1 280.686 2.606 20 0 CFADMM CC(C)OC(=O)C[C@@H](N=c1nc(C2CC2)[n-]s1)C(C)C ZINC000594600154 349456831 /nfs/dbraw/zinc/45/68/31/349456831.db2.gz FUWZROUOMIHWGQ-LLVKDONJSA-N -1 1 297.424 2.616 20 0 CFADMM CC[C@H](C)C(=O)N1CCC(c2n[n-]c(=S)n2CC)CC1 ZINC000068453465 346853467 /nfs/dbraw/zinc/85/34/67/346853467.db2.gz VBUSXWCNCXLPLD-JTQLQIEISA-N -1 1 296.440 2.713 20 0 CFADMM O=C(c1ncccc1[O-])N1CCSC2(CCCCC2)C1 ZINC000097012522 185151954 /nfs/dbraw/zinc/15/19/54/185151954.db2.gz FCIGNFZOTVFCQF-UHFFFAOYSA-N -1 1 292.404 2.679 20 0 CFADMM CC[C@H](NC(=O)c1cc(Cl)ccc1[O-])[C@@H]1CCCO1 ZINC000126009658 187211003 /nfs/dbraw/zinc/21/10/03/187211003.db2.gz DYEJFJYRFAVZDY-AAEUAGOBSA-N -1 1 283.755 2.733 20 0 CFADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(F)(F)CC1 ZINC000405007560 290029066 /nfs/dbraw/zinc/02/90/66/290029066.db2.gz AEGWZFWVZOJDPN-QMMMGPOBSA-N -1 1 259.252 2.770 20 0 CFADMM COc1ccnc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153552513 539334980 /nfs/dbraw/zinc/33/49/80/539334980.db2.gz FXYIQKMYTSRHOW-UHFFFAOYSA-N -1 1 278.695 2.702 20 0 CFADMM CCCN(C)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000273920828 192363322 /nfs/dbraw/zinc/36/33/22/192363322.db2.gz FOBHETLJUUXTSH-UHFFFAOYSA-N -1 1 271.744 2.926 20 0 CFADMM O=C(Nc1ncc(Cl)s1)c1ccccc1[O-] ZINC000064499069 539359823 /nfs/dbraw/zinc/35/98/23/539359823.db2.gz JQUDKSXFZCWBTC-UHFFFAOYSA-N -1 1 254.698 2.754 20 0 CFADMM O=C(Cc1ccc(F)cc1F)Nc1c([O-])cccc1F ZINC000088378490 539378082 /nfs/dbraw/zinc/37/80/82/539378082.db2.gz JMKCGEXZWGMDTR-UHFFFAOYSA-N -1 1 281.233 2.991 20 0 CFADMM C[C@H](CS(=O)(=O)[N-]c1ccccc1O)c1ccccc1 ZINC000149445110 232212769 /nfs/dbraw/zinc/21/27/69/232212769.db2.gz DLELZTVOJASKQO-GFCCVEGCSA-N -1 1 291.372 2.938 20 0 CFADMM O=C(Nc1ccc(-c2ncon2)cc1)c1ccccc1[O-] ZINC000171011948 232265276 /nfs/dbraw/zinc/26/52/76/232265276.db2.gz TURYRBFMXPKPBH-UHFFFAOYSA-N -1 1 281.271 2.695 20 0 CFADMM CN(C(=O)c1cc2ccccc2cc1[O-])c1cnn(C)c1 ZINC000173176745 232273411 /nfs/dbraw/zinc/27/34/11/232273411.db2.gz WKAVBFLTVHFNMT-UHFFFAOYSA-N -1 1 281.315 2.556 20 0 CFADMM O=C([O-])[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000003756188 346208913 /nfs/dbraw/zinc/20/89/13/346208913.db2.gz HPMXTCYMTIZUKD-LBPRGKRZSA-N -1 1 298.726 2.687 20 0 CFADMM O=c1cc(CS[C@H]2CCCOC2)c2ccc([O-])cc2o1 ZINC000272486037 232545655 /nfs/dbraw/zinc/54/56/55/232545655.db2.gz RMHNQMRKKDHXAJ-LBPRGKRZSA-N -1 1 292.356 2.911 20 0 CFADMM CSc1nsc([N-]C(=O)c2c(C)noc2C(C)C)n1 ZINC000078387281 347249350 /nfs/dbraw/zinc/24/93/50/347249350.db2.gz OQSYALYLMCNGSN-UHFFFAOYSA-N -1 1 298.393 2.932 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N(C)CCC(C)C)cnc2n1 ZINC000080425006 347357923 /nfs/dbraw/zinc/35/79/23/347357923.db2.gz QBJGNRZEHPQDSM-UHFFFAOYSA-N -1 1 287.363 2.762 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)CCC(C)C)c2=O ZINC000080425006 347357929 /nfs/dbraw/zinc/35/79/29/347357929.db2.gz QBJGNRZEHPQDSM-UHFFFAOYSA-N -1 1 287.363 2.762 20 0 CFADMM O=C([O-])CC1CCN(Cc2nc3ccccc3s2)CC1 ZINC000093680462 347680897 /nfs/dbraw/zinc/68/08/97/347680897.db2.gz OZWHSJLRRNGKOX-UHFFFAOYSA-N -1 1 290.388 2.983 20 0 CFADMM Cn1cc(-c2ccnc(/C=C/c3ccc([O-])c(F)c3)n2)cn1 ZINC000093902887 347688727 /nfs/dbraw/zinc/68/87/27/347688727.db2.gz XIXKDYXSKOXBGL-HWKANZROSA-N -1 1 296.305 2.892 20 0 CFADMM Cc1occc1CN(C)Cc1ccsc1C(=O)[O-] ZINC000110955807 347750804 /nfs/dbraw/zinc/75/08/04/347750804.db2.gz NHUXQIXLDOZCRM-UHFFFAOYSA-N -1 1 265.334 2.980 20 0 CFADMM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2cccc(F)c2)C1 ZINC000111242037 347751879 /nfs/dbraw/zinc/75/18/79/347751879.db2.gz XRGIKIRCLLOMJA-GFCCVEGCSA-N -1 1 291.244 2.665 20 0 CFADMM Cc1nnc([N-]C(=O)c2ncoc2-c2ccccc2)s1 ZINC000112000538 347757893 /nfs/dbraw/zinc/75/78/93/347757893.db2.gz QUENHBLIKVFPQO-UHFFFAOYSA-N -1 1 286.316 2.754 20 0 CFADMM Cc1sc(C(=O)[O-])cc1CN1C[C@@H](C)OC(C)(C)C1 ZINC000155976347 347990563 /nfs/dbraw/zinc/99/05/63/347990563.db2.gz SGDWLXOYJTYJHD-SECBINFHSA-N -1 1 283.393 2.754 20 0 CFADMM O=C([O-])C[C@H]1CCCN1Cc1ccc(Cl)cc1F ZINC000162541891 348031505 /nfs/dbraw/zinc/03/15/05/348031505.db2.gz XVVACQASZVDGRH-LLVKDONJSA-N -1 1 271.719 2.918 20 0 CFADMM CCc1ccc(CN2CCCCC[C@@H]2C(=O)[O-])o1 ZINC000086814502 179342365 /nfs/dbraw/zinc/34/23/65/179342365.db2.gz HEHOMYXRQPWTSJ-CYBMUJFWSA-N -1 1 251.326 2.671 20 0 CFADMM CC(C)[C@H](C)C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000172665653 348101018 /nfs/dbraw/zinc/10/10/18/348101018.db2.gz JOWVYDOZBMOSJA-SECBINFHSA-N -1 1 277.336 2.535 20 0 CFADMM O=C(Nc1cc(C(F)(F)F)ccc1O)c1cncc([O-])c1 ZINC000175827566 348115018 /nfs/dbraw/zinc/11/50/18/348115018.db2.gz HTFRTNYVDHVYPW-UHFFFAOYSA-N -1 1 298.220 2.764 20 0 CFADMM CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000232829562 348213899 /nfs/dbraw/zinc/21/38/99/348213899.db2.gz NMPDDRBOOPSELE-INIZCTEOSA-N -1 1 288.347 2.761 20 0 CFADMM CC1(C)C[C@H](NC(=O)c2cc3ccccc3cc2[O-])CO1 ZINC000396517027 348558736 /nfs/dbraw/zinc/55/87/36/348558736.db2.gz STIMSBMJWPGJBK-ZDUSSCGKSA-N -1 1 285.343 2.843 20 0 CFADMM CO[C@@H](C)c1nc(=N[C@@H]2C[C@H]2CC(C)C)s[n-]1 ZINC000413409389 233068699 /nfs/dbraw/zinc/06/86/99/233068699.db2.gz JDDHSGCMLKLEEO-IVZWLZJFSA-N -1 1 255.387 2.514 20 0 CFADMM Cc1cccc2sc(C(=O)Nc3nn[n-]n3)c(Cl)c21 ZINC000590500932 348906505 /nfs/dbraw/zinc/90/65/05/348906505.db2.gz WCIXJMDBYLOVOR-UHFFFAOYSA-N -1 1 293.739 2.629 20 0 CFADMM O=C(CCSC[C@H]1CCCO1)c1ccc([O-])cc1O ZINC000594448791 349425587 /nfs/dbraw/zinc/42/55/87/349425587.db2.gz QJQKJQODSZNVRZ-LLVKDONJSA-N -1 1 282.361 2.583 20 0 CFADMM CC[C@H](COCC1CC1)NC(=O)c1c(F)ccc([O-])c1F ZINC000617335509 352542006 /nfs/dbraw/zinc/54/20/06/352542006.db2.gz DVZFPARTVRQCBJ-SNVBAGLBSA-N -1 1 299.317 2.605 20 0 CFADMM CC(C)[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[O-])CCO1 ZINC000271341069 191084329 /nfs/dbraw/zinc/08/43/29/191084329.db2.gz CDVNOFDETGMSKB-FZMZJTMJSA-N -1 1 297.782 2.979 20 0 CFADMM CCC(C)(C)[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000132780146 539789302 /nfs/dbraw/zinc/78/93/02/539789302.db2.gz HHUHJBPKTOFMFS-GFCCVEGCSA-N -1 1 262.353 2.828 20 0 CFADMM CC(C)(C)OC(=O)C1(C(=O)Nc2cccc(F)c2[O-])CC1 ZINC000600444574 350556424 /nfs/dbraw/zinc/55/64/24/350556424.db2.gz JBTAZPQYSPIRSW-UHFFFAOYSA-N -1 1 295.310 2.592 20 0 CFADMM CCCN(Cc1ccccc1)C(=O)c1cncc([O-])c1 ZINC000109042200 186241085 /nfs/dbraw/zinc/24/10/85/186241085.db2.gz PQFYANDQFCWVLS-UHFFFAOYSA-N -1 1 270.332 2.840 20 0 CFADMM CC1(C)Oc2ccc(NC(=O)c3cncc([O-])c3)cc2O1 ZINC000109042676 186241389 /nfs/dbraw/zinc/24/13/89/186241389.db2.gz ATRJWRIJMUDFHD-UHFFFAOYSA-N -1 1 286.287 2.547 20 0 CFADMM O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc([O-])c1 ZINC000109040567 186241419 /nfs/dbraw/zinc/24/14/19/186241419.db2.gz LSEPRQWGFCJQOF-UHFFFAOYSA-N -1 1 298.220 2.938 20 0 CFADMM CCOC(=O)CC(C)(C)CC(=O)Nc1cccc(F)c1[O-] ZINC000600839706 350618575 /nfs/dbraw/zinc/61/85/75/350618575.db2.gz YULJJILHZPETMH-UHFFFAOYSA-N -1 1 297.326 2.839 20 0 CFADMM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccncc1[O-] ZINC000109889247 186277190 /nfs/dbraw/zinc/27/71/90/186277190.db2.gz LXFWZZAYFNTWQL-VIFPVBQESA-N -1 1 292.722 2.847 20 0 CFADMM O=C(Nc1ccncc1[O-])c1ccc(Cl)cc1F ZINC000109890747 186277765 /nfs/dbraw/zinc/27/77/65/186277765.db2.gz PVWPSSODSYLDHY-UHFFFAOYSA-N -1 1 266.659 2.832 20 0 CFADMM CCOc1cccc([C@H](C)NC(=O)c2cncc([O-])c2)c1 ZINC000109959509 186281090 /nfs/dbraw/zinc/28/10/90/186281090.db2.gz CCGUUSOMCPARAR-NSHDSACASA-N -1 1 286.331 2.677 20 0 CFADMM CCOC(=O)c1cc(-c2nc(C(C)C)cs2)[n-]n1 ZINC000600945373 350635240 /nfs/dbraw/zinc/63/52/40/350635240.db2.gz HFRXZSPGTWPHGS-UHFFFAOYSA-N -1 1 265.338 2.833 20 0 CFADMM CCc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1C ZINC000601052613 350652120 /nfs/dbraw/zinc/65/21/20/350652120.db2.gz GDMMQUPNFUZCOA-UHFFFAOYSA-N -1 1 279.727 2.594 20 0 CFADMM Cc1cnc(S[C@H](C(=O)OC(C)(C)C)C2CC2)[n-]c1=O ZINC000601083800 350662903 /nfs/dbraw/zinc/66/29/03/350662903.db2.gz NPBSMKKUYMYJKC-JTQLQIEISA-N -1 1 296.392 2.703 20 0 CFADMM CSCCCC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000601350060 350725703 /nfs/dbraw/zinc/72/57/03/350725703.db2.gz NIHLDQXPXKSDFI-UHFFFAOYSA-N -1 1 299.364 2.639 20 0 CFADMM CCCc1c(C)[n-]n(-c2ccc(F)c(C(=O)OC)c2)c1=O ZINC000601948174 350815061 /nfs/dbraw/zinc/81/50/61/350815061.db2.gz CJXORGKNYPRIJE-NSHDSACASA-N -1 1 292.310 2.751 20 0 CFADMM CCc1c(C)[n-]n(-c2ccc(C(=O)OC)c(Cl)c2)c1=O ZINC000601949088 350816207 /nfs/dbraw/zinc/81/62/07/350816207.db2.gz PYVRNMQENUDIHB-SNVBAGLBSA-N -1 1 294.738 2.875 20 0 CFADMM COC(=O)c1cccc(-n2[n-]c3c(c2=O)[C@H](C)CC3)c1C ZINC000601951499 350818098 /nfs/dbraw/zinc/81/80/98/350818098.db2.gz ZBWOMTZWUZTXFS-YMTOWFKASA-N -1 1 286.331 2.530 20 0 CFADMM CC(=O)c1c(C)[nH]c(C(=O)Nc2c([O-])cccc2F)c1C ZINC000605439919 351246542 /nfs/dbraw/zinc/24/65/42/351246542.db2.gz YQIXWOXYIJUOQU-UHFFFAOYSA-N -1 1 290.294 2.931 20 0 CFADMM COc1ccccc1CC(=O)Nc1c([O-])cccc1F ZINC000605439061 351247016 /nfs/dbraw/zinc/24/70/16/351247016.db2.gz UQMNVTYWFNEUTR-UHFFFAOYSA-N -1 1 275.279 2.721 20 0 CFADMM CC(=O)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000608367045 351427273 /nfs/dbraw/zinc/42/72/73/351427273.db2.gz SCKUYZNGRGHIAP-UHFFFAOYSA-N -1 1 273.263 2.986 20 0 CFADMM O=C(Nc1c([O-])cccc1F)[C@H]1Cc2ccccc21 ZINC000608365554 351425642 /nfs/dbraw/zinc/42/56/42/351425642.db2.gz MXSWXTBNKXBODH-NSHDSACASA-N -1 1 257.264 2.810 20 0 CFADMM COC(=O)c1cccc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000609851142 351523010 /nfs/dbraw/zinc/52/30/10/351523010.db2.gz HHQRFXDQTZPYFK-UHFFFAOYSA-N -1 1 289.262 2.570 20 0 CFADMM CSc1ccc([O-])c(C(=O)N(C)c2c(C)noc2C)c1 ZINC000611723622 351730286 /nfs/dbraw/zinc/73/02/86/351730286.db2.gz ATJZMVDAWPGCDQ-UHFFFAOYSA-N -1 1 292.360 2.996 20 0 CFADMM CCc1onc(C)c1[N-]C(=O)c1snnc1C1CC1 ZINC000291696413 198061673 /nfs/dbraw/zinc/06/16/73/198061673.db2.gz KCQLGBQTDVKASM-UHFFFAOYSA-N -1 1 278.337 2.527 20 0 CFADMM CO[C@@H]1CC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000612759505 351859708 /nfs/dbraw/zinc/85/97/08/351859708.db2.gz KTOTZGWEPBOPST-PSASIEDQSA-N -1 1 269.728 2.799 20 0 CFADMM O=C(c1ncc2ccccc2c1[O-])N1CC2(CC(F)C2)C1 ZINC000612881956 351874257 /nfs/dbraw/zinc/87/42/57/351874257.db2.gz COSJAQPJFWVXCX-UHFFFAOYSA-N -1 1 286.306 2.515 20 0 CFADMM CC(C)[C@@H]1CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000613269098 351928708 /nfs/dbraw/zinc/92/87/08/351928708.db2.gz GKSNDAOZVKPTBJ-ZDUSSCGKSA-N -1 1 270.332 2.811 20 0 CFADMM O=C(Nc1cccc(Cl)c1[O-])[C@H]1CCc2nc[nH]c2C1 ZINC000613035628 351892293 /nfs/dbraw/zinc/89/22/93/351892293.db2.gz QFJAZOLGHLRUCR-QMMMGPOBSA-N -1 1 291.738 2.512 20 0 CFADMM CC(C)CC1(CNC(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000134173708 539829015 /nfs/dbraw/zinc/82/90/15/539829015.db2.gz LMRXMPXJYJREMK-UHFFFAOYSA-N -1 1 272.352 2.514 20 0 CFADMM O=C(c1ncc2ccccc2c1[O-])N1CCCC2(CC2)C1 ZINC000613606034 351985980 /nfs/dbraw/zinc/98/59/80/351985980.db2.gz FSLSSZJPULWJDS-UHFFFAOYSA-N -1 1 282.343 2.957 20 0 CFADMM CC1=C[C@@H](C)CN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000614360720 352084935 /nfs/dbraw/zinc/08/49/35/352084935.db2.gz KXLINWUNHDPZEF-LLVKDONJSA-N -1 1 282.343 2.979 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000615220466 352168934 /nfs/dbraw/zinc/16/89/34/352168934.db2.gz GGNJYYKUGNTPPT-SNVBAGLBSA-N -1 1 291.738 2.746 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000615226286 352170026 /nfs/dbraw/zinc/17/00/26/352170026.db2.gz JRRVKBAKZRPOTN-INIZCTEOSA-N -1 1 285.347 2.557 20 0 CFADMM CC[C@H](Cc1ccccc1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000615228092 352170379 /nfs/dbraw/zinc/17/03/79/352170379.db2.gz VSSJOLAYEKXUQM-GFCCVEGCSA-N -1 1 273.336 2.631 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H]1CCCC[C@H]1C ZINC000615226955 352170466 /nfs/dbraw/zinc/17/04/66/352170466.db2.gz NKNRZSNDGVECNV-SCZZXKLOSA-N -1 1 251.330 2.579 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCOc1ccc(C)cc1 ZINC000615228477 352170726 /nfs/dbraw/zinc/17/07/26/352170726.db2.gz WNKHSUSRAKSVNI-UHFFFAOYSA-N -1 1 289.335 2.530 20 0 CFADMM O=C(NC1(C(F)(F)F)CC1)c1ncc2ccccc2c1[O-] ZINC000615751236 352238969 /nfs/dbraw/zinc/23/89/69/352238969.db2.gz VWNBJNXGRFLWSS-UHFFFAOYSA-N -1 1 296.248 2.765 20 0 CFADMM CC(=O)[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000615525439 352204173 /nfs/dbraw/zinc/20/41/73/352204173.db2.gz STEDNMHNCHVODN-GFCCVEGCSA-N -1 1 281.739 2.629 20 0 CFADMM Cc1[n-][nH]c(=NC(=O)C2=CCCCCC2)c1Br ZINC000616008915 352273053 /nfs/dbraw/zinc/27/30/53/352273053.db2.gz MDWYAGXKMPIVAQ-UHFFFAOYSA-N -1 1 298.184 2.732 20 0 CFADMM CCC(C)(CC)C(=O)N=c1[nH][n-]c(C)c1Br ZINC000616009451 352273668 /nfs/dbraw/zinc/27/36/68/352273668.db2.gz UTAIAWBEDWMTLE-UHFFFAOYSA-N -1 1 288.189 2.667 20 0 CFADMM C[C@@H](CC(=O)Nc1ccc([O-])c(F)c1F)[C@H]1CCCO1 ZINC000616100949 352284530 /nfs/dbraw/zinc/28/45/30/352284530.db2.gz KTIHQAOIJABVLK-GZMMTYOYSA-N -1 1 285.290 2.814 20 0 CFADMM COc1cc(C(=O)N[C@@H](C)C2CCC2)cc(Cl)c1[O-] ZINC000135220226 539852862 /nfs/dbraw/zinc/85/28/62/539852862.db2.gz AGGTZOCKPRRAMS-QMMMGPOBSA-N -1 1 283.755 2.973 20 0 CFADMM CN(Cc1ccsc1)C(=O)c1ccc([O-])cc1F ZINC000226267239 539857753 /nfs/dbraw/zinc/85/77/53/539857753.db2.gz JVAYWYKPIAQFSY-UHFFFAOYSA-N -1 1 265.309 2.865 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)C3CC4(CC4)C3)[nH][n-]2)s1 ZINC000616810965 352431770 /nfs/dbraw/zinc/43/17/70/352431770.db2.gz CVUAOHDXTLINDO-UHFFFAOYSA-N -1 1 287.388 2.997 20 0 CFADMM CC(C)(C)OCCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000618337797 352755657 /nfs/dbraw/zinc/75/56/57/352755657.db2.gz HLMJOEVBNYCCLE-UHFFFAOYSA-N -1 1 285.771 2.981 20 0 CFADMM CN(CC1=CCCOC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000618377019 352760886 /nfs/dbraw/zinc/76/08/86/352760886.db2.gz MXZDVNMMCGUTJB-UHFFFAOYSA-N -1 1 297.354 2.964 20 0 CFADMM C[C@@H]1CSCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000669002127 539927335 /nfs/dbraw/zinc/92/73/35/539927335.db2.gz ZXCTTWCBYXKVAN-SNVBAGLBSA-N -1 1 288.372 2.518 20 0 CFADMM C[C@H]1C[C@H](C)N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000669067476 539942390 /nfs/dbraw/zinc/94/23/90/539942390.db2.gz YRJQVCFZMXHREA-QWRGUYRKSA-N -1 1 270.332 2.811 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H](CCF)C1 ZINC000618695841 352863582 /nfs/dbraw/zinc/86/35/82/352863582.db2.gz NWIOKNBPHVMDTJ-JTQLQIEISA-N -1 1 269.291 2.743 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H](CCF)C1 ZINC000618697166 352863933 /nfs/dbraw/zinc/86/39/33/352863933.db2.gz JHZWOELQFOIGQQ-JTQLQIEISA-N -1 1 269.291 2.743 20 0 CFADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@@H](CCF)C1 ZINC000618698890 352865602 /nfs/dbraw/zinc/86/56/02/352865602.db2.gz YGWQCOISTZBKSZ-VIFPVBQESA-N -1 1 287.281 2.882 20 0 CFADMM O=C(NCCCC1CCC1)c1c(F)ccc([O-])c1F ZINC000618614288 352836731 /nfs/dbraw/zinc/83/67/31/352836731.db2.gz KMLIXSLLTOQVLT-UHFFFAOYSA-N -1 1 269.291 2.981 20 0 CFADMM COC(=O)c1c[n-]c(S[C@@H]2CCC[C@@H](C)C2)n1 ZINC000618965378 352921229 /nfs/dbraw/zinc/92/12/29/352921229.db2.gz RETLZAILLJWNQL-RKDXNWHRSA-N -1 1 254.355 2.867 20 0 CFADMM CC[C@@H](NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C1CC1 ZINC000618869834 352899746 /nfs/dbraw/zinc/89/97/46/352899746.db2.gz XFRZFGNPVNQLIC-LLVKDONJSA-N -1 1 291.395 2.707 20 0 CFADMM O=C(NC[C@H](CO)CC1CC1)c1cc2ccccc2cc1[O-] ZINC000619047145 352942025 /nfs/dbraw/zinc/94/20/25/352942025.db2.gz CTSJHMGEKAFFIW-CYBMUJFWSA-N -1 1 299.370 2.684 20 0 CFADMM CC1(C)[C@@H](CNC(=O)c2c([O-])cccc2F)C1(F)F ZINC000619387274 353012074 /nfs/dbraw/zinc/01/20/74/353012074.db2.gz LWIKEMUCMTXYGE-SECBINFHSA-N -1 1 273.254 2.552 20 0 CFADMM CC1(C)[C@H](CNC(=O)c2ccc([O-])cc2F)C1(F)F ZINC000619388139 353012314 /nfs/dbraw/zinc/01/23/14/353012314.db2.gz VAEPKYQGRCPEBN-JTQLQIEISA-N -1 1 273.254 2.552 20 0 CFADMM COc1cc(C(=O)NCC2=CCCC2)cc(Cl)c1[O-] ZINC000620003743 353093653 /nfs/dbraw/zinc/09/36/53/353093653.db2.gz ORKVLKYQZBWUHT-UHFFFAOYSA-N -1 1 281.739 2.894 20 0 CFADMM O=C(NCC1=CCCC1)c1c(F)ccc([O-])c1F ZINC000620008672 353095835 /nfs/dbraw/zinc/09/58/35/353095835.db2.gz VUAUOPQSCQFVQR-UHFFFAOYSA-N 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MXPOFWZFXHEOMX-ZETCQYMHSA-N -1 1 293.310 2.571 20 0 CFADMM COc1ccc2nc(-c3ccc(C)c(OC)c3)[n-]c(=O)c2c1 ZINC000162363668 540986929 /nfs/dbraw/zinc/98/69/29/540986929.db2.gz ZDVZIGRXPYGQDO-UHFFFAOYSA-N -1 1 296.326 2.916 20 0 CFADMM CC(C)OCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182870962 189337720 /nfs/dbraw/zinc/33/77/20/189337720.db2.gz XKVOCFAAIMETOP-UHFFFAOYSA-N -1 1 257.717 2.799 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)c(C)o1 ZINC000183127752 189347431 /nfs/dbraw/zinc/34/74/31/189347431.db2.gz KMHLRZLDWXQCGI-UHFFFAOYSA-N -1 1 283.353 2.544 20 0 CFADMM CC(C)(C)C[C@H](NC(=O)c1cncc([O-])c1)C(F)(F)F ZINC000183604122 189363551 /nfs/dbraw/zinc/36/35/51/189363551.db2.gz IQOJZAZUVRJRCD-JTQLQIEISA-N -1 1 290.285 2.884 20 0 CFADMM CC1(CO)CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000183695720 189366125 /nfs/dbraw/zinc/36/61/25/189366125.db2.gz WLUZUGLBUQATPM-UHFFFAOYSA-N -1 1 299.370 2.780 20 0 CFADMM Cc1nc2cccnc2c(-c2ccc(F)c([O-])c2)n1 ZINC001243046384 781950074 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241059250 /nfs/dbraw/zinc/05/92/50/241059250.db2.gz SXRIMWZCXFWSRJ-UHFFFAOYSA-N -1 1 277.345 2.886 20 0 CFADMM CC[C@H](C)[C@@H](NC(=O)c1ncc(C)cc1[O-])C(F)(F)F ZINC000444552855 241148117 /nfs/dbraw/zinc/14/81/17/241148117.db2.gz UWBCWZYKFFENED-GZMMTYOYSA-N -1 1 290.285 2.802 20 0 CFADMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@H]3C[C@H]3C3CC3)[nH][n-]2)c1 ZINC000444782689 241193653 /nfs/dbraw/zinc/19/36/53/241193653.db2.gz IYBLUDFAEOHYSW-RYUDHWBXSA-N -1 1 299.349 2.931 20 0 CFADMM Cc1ccc(F)c(-c2cc(=NC(=O)CC3CC3)[nH][n-]2)c1 ZINC000444811093 241196644 /nfs/dbraw/zinc/19/66/44/241196644.db2.gz IAKGSVURALBOCR-UHFFFAOYSA-N -1 1 273.311 2.685 20 0 CFADMM COCC[C@@H](C)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000447345979 241371482 /nfs/dbraw/zinc/37/14/82/241371482.db2.gz ARMHUAQIFUFJPZ-ZCFIWIBFSA-N -1 1 282.287 2.718 20 0 CFADMM C[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)C1CCCC1 ZINC000674085299 541537924 /nfs/dbraw/zinc/53/79/24/541537924.db2.gz OUZWNZFIUHIAPY-LURJTMIESA-N -1 1 276.262 2.588 20 0 CFADMM C[C@@H](C[C@H]1CCOC1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000675415179 541651331 /nfs/dbraw/zinc/65/13/31/541651331.db2.gz BDDSEALUEBZGQC-VHSXEESVSA-N -1 1 283.755 2.591 20 0 CFADMM Cc1nc(CSc2nc(C)c(C)c(=O)[n-]2)cs1 ZINC000330680795 203110349 /nfs/dbraw/zinc/11/03/49/203110349.db2.gz OCHUCDDHJVWKDG-UHFFFAOYSA-N -1 1 267.379 2.856 20 0 CFADMM Cc1nc(SCc2nc(C(C)(C)C)no2)[n-]c(=O)c1C ZINC000330679743 203111498 /nfs/dbraw/zinc/11/14/98/203111498.db2.gz NCPPAXDYTMFFCO-UHFFFAOYSA-N -1 1 294.380 2.772 20 0 CFADMM Cc1nc(SCC[C@@H]2CCCC2=O)[n-]c(=O)c1C ZINC000330684935 203114697 /nfs/dbraw/zinc/11/46/97/203114697.db2.gz UCJADMOBPDKYSF-JTQLQIEISA-N -1 1 266.366 2.650 20 0 CFADMM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccncc1[O-] ZINC000330784616 203231267 /nfs/dbraw/zinc/23/12/67/203231267.db2.gz KEGSCCCYJHNERJ-UHFFFAOYSA-N -1 1 291.376 2.524 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCc2ncccc2C1 ZINC000676782621 541793409 /nfs/dbraw/zinc/79/34/09/541793409.db2.gz KSZGHTQJOKNSQB-UHFFFAOYSA-N -1 1 288.734 2.639 20 0 CFADMM C[N@H+](Cc1cccc(O)c1Br)CC1CC1 ZINC000459333102 245144283 /nfs/dbraw/zinc/14/42/83/245144283.db2.gz YPDNXDUWBJTTDL-UHFFFAOYSA-N -1 1 270.170 2.997 20 0 CFADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCCC1 ZINC000282488498 296163942 /nfs/dbraw/zinc/16/39/42/296163942.db2.gz PMWZSPOSJJISDL-UHFFFAOYSA-N -1 1 276.723 2.830 20 0 CFADMM C[C@H](C(=O)Nc1c([O-])cccc1F)C1CCOCC1 ZINC000677405251 541853821 /nfs/dbraw/zinc/85/38/21/541853821.db2.gz VVQRTFWUMWPXJH-VIFPVBQESA-N -1 1 267.300 2.533 20 0 CFADMM Cn1c(CCC2CCCCC2)n[n-]c1=NC(C)(C)C ZINC000463103826 245396624 /nfs/dbraw/zinc/39/66/24/245396624.db2.gz IUQXACXYLDGVCX-UHFFFAOYSA-N -1 1 264.417 2.960 20 0 CFADMM O=C(Nc1cccnc1)c1cc(Br)ccc1[O-] ZINC000011639440 371923278 /nfs/dbraw/zinc/92/32/78/371923278.db2.gz DIXZZFJPRGMUDO-UHFFFAOYSA-N -1 1 293.120 2.802 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@]2(CCCOC2)C1 ZINC000336143651 296181374 /nfs/dbraw/zinc/18/13/74/296181374.db2.gz LRBXIVQIGHNWBD-INIZCTEOSA-N -1 1 293.338 2.564 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCn2c3ccccc3nc21 ZINC000179385935 296181556 /nfs/dbraw/zinc/18/15/56/296181556.db2.gz PEZDCAGCGVRFQH-UHFFFAOYSA-N -1 1 297.289 2.541 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1C[C@@H]2CCCC[C@H]2C1 ZINC000080036171 296181737 /nfs/dbraw/zinc/18/17/37/296181737.db2.gz OCRLQYZONADJSQ-QWRGUYRKSA-N -1 1 263.312 2.794 20 0 CFADMM CCC1([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000451685677 383682860 /nfs/dbraw/zinc/68/28/60/383682860.db2.gz CLOIBMCWNBOHBZ-UHFFFAOYSA-N -1 1 283.324 2.793 20 0 CFADMM CCC[C@H](NCC(=O)Nc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000036838684 372600856 /nfs/dbraw/zinc/60/08/56/372600856.db2.gz KZRJTFWVRDFVAS-AWEZNQCLSA-N -1 1 292.379 2.591 20 0 CFADMM O=C([O-])C[C@H]1CCCN1Cc1coc(-c2cccs2)n1 ZINC000042163832 372880447 /nfs/dbraw/zinc/88/04/47/372880447.db2.gz CBUFFWXJGMGXCT-LLVKDONJSA-N -1 1 292.360 2.842 20 0 CFADMM CC(C)c1ccccc1NC(=O)CN(C)CCCC(=O)[O-] ZINC000042717872 372949436 /nfs/dbraw/zinc/94/94/36/372949436.db2.gz BBHVSDPHHJELJC-UHFFFAOYSA-N -1 1 292.379 2.545 20 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20 0 CFADMM CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000074936782 374449364 /nfs/dbraw/zinc/44/93/64/374449364.db2.gz ISXPIVHIIZHKKU-UHFFFAOYSA-N -1 1 265.737 2.556 20 0 CFADMM O=C(/C=C\c1cscn1)Nc1ccc(F)cc1[O-] ZINC000492286077 246246674 /nfs/dbraw/zinc/24/66/74/246246674.db2.gz DRZOQMIMQLYSDP-RQOWECAXSA-N -1 1 264.281 2.640 20 0 CFADMM CCSCCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000302325139 270286247 /nfs/dbraw/zinc/28/62/47/270286247.db2.gz HILVEVOLBBMFJO-UHFFFAOYSA-N -1 1 273.785 2.919 20 0 CFADMM CCCCCCNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000080509958 374658847 /nfs/dbraw/zinc/65/88/47/374658847.db2.gz GUDTYCJLANFYHA-UHFFFAOYSA-N -1 1 283.397 2.523 20 0 CFADMM CCOC[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000081482392 374701018 /nfs/dbraw/zinc/70/10/18/374701018.db2.gz MQIDLUSEWUFPBZ-JTQLQIEISA-N -1 1 283.755 2.544 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCOC[C@H]1CC1CCC1 ZINC000335846073 296222023 /nfs/dbraw/zinc/22/20/23/296222023.db2.gz KHOYBWIVRHXQJF-GFCCVEGCSA-N -1 1 293.338 2.563 20 0 CFADMM CCC[C@H](OCC)C(=O)Nc1ccc([O-])c(F)c1F ZINC000529467693 383704324 /nfs/dbraw/zinc/70/43/24/383704324.db2.gz ZHIAYDANLJOMKV-JTQLQIEISA-N -1 1 273.279 2.814 20 0 CFADMM O=S(=O)([N-]c1cccc(-c2cn[nH]c2)c1)c1ccccc1 ZINC000090166429 374995140 /nfs/dbraw/zinc/99/51/40/374995140.db2.gz FWNOPNPOYMPTDP-UHFFFAOYSA-N -1 1 299.355 2.878 20 0 CFADMM Cc1n[nH]c2cc(NC(=O)c3cc(F)ccc3[O-])ccc12 ZINC000091825664 375064032 /nfs/dbraw/zinc/06/40/32/375064032.db2.gz KUSCQXPEEHINFM-UHFFFAOYSA-N -1 1 285.278 2.968 20 0 CFADMM C[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](C(=O)[O-])C1 ZINC000226397555 296228886 /nfs/dbraw/zinc/22/88/86/296228886.db2.gz YOWLFCIUXZBZMB-VHSXEESVSA-N -1 1 269.291 2.822 20 0 CFADMM COc1ccc(-c2nc(CCC(F)(F)F)no2)c([O-])c1 ZINC000094494271 375364680 /nfs/dbraw/zinc/36/46/80/375364680.db2.gz IYBBOVKBRQMWTD-UHFFFAOYSA-N -1 1 288.225 2.946 20 0 CFADMM O=C(NCCc1ccncc1)c1cc2ccccc2cc1[O-] ZINC000097454421 375562432 /nfs/dbraw/zinc/56/24/32/375562432.db2.gz MXNXPTVAVLRGLH-UHFFFAOYSA-N -1 1 292.338 2.913 20 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275.377 2.997 20 0 CFADMM CC(C)CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000450967755 383571992 /nfs/dbraw/zinc/57/19/92/383571992.db2.gz LXYHWXNJHHPXJM-UHFFFAOYSA-N -1 1 285.340 2.896 20 0 CFADMM CS[C@H]1CCCCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000570933954 383648361 /nfs/dbraw/zinc/64/83/61/383648361.db2.gz SLOWKRFQHZZVTK-VIFPVBQESA-N -1 1 286.422 2.559 20 0 CFADMM CC(C)C1([N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC000451578616 383650562 /nfs/dbraw/zinc/65/05/62/383650562.db2.gz CYHJKVHWHAILQO-UHFFFAOYSA-N -1 1 279.814 2.868 20 0 CFADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1nccn1-c1ccccc1 ZINC000263100209 383654333 /nfs/dbraw/zinc/65/43/33/383654333.db2.gz AYULCPOLUQNESE-UONOGXRCSA-N -1 1 299.374 2.557 20 0 CFADMM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000451437580 383616344 /nfs/dbraw/zinc/61/63/44/383616344.db2.gz UUXWVKGEAQFRAO-JGVFFNPUSA-N -1 1 279.814 2.868 20 0 CFADMM CCc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)cc1 ZINC000430977311 383618798 /nfs/dbraw/zinc/61/87/98/383618798.db2.gz KCHXDIMIZJAMNR-UHFFFAOYSA-N -1 1 276.361 2.753 20 0 CFADMM CSC1(C[N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC000451473138 383623333 /nfs/dbraw/zinc/62/33/33/383623333.db2.gz MXGQIPFQULXPME-UHFFFAOYSA-N -1 1 297.854 2.575 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)N1CCC[C@H](F)C1 ZINC000640338376 383765480 /nfs/dbraw/zinc/76/54/80/383765480.db2.gz VLZLKDNJERKAEC-VIFPVBQESA-N -1 1 279.340 2.684 20 0 CFADMM O=C(N=c1[n-]sc2ccccc21)NCC[C@H]1CC1(F)F ZINC000640338685 383765660 /nfs/dbraw/zinc/76/56/60/383765660.db2.gz CKJXHNDOHMIOLK-QMMMGPOBSA-N -1 1 297.330 2.885 20 0 CFADMM CN(C(=O)N=c1[n-]sc2ccccc21)C1CCC1 ZINC000640341570 383766701 /nfs/dbraw/zinc/76/67/01/383766701.db2.gz VJJRUNRFBMAKNP-UHFFFAOYSA-N -1 1 261.350 2.734 20 0 CFADMM CCOCC(C)(C)NC(=O)N=c1[n-]sc2ccccc21 ZINC000640340208 383766799 /nfs/dbraw/zinc/76/67/99/383766799.db2.gz PAHXURYREIFNJO-UHFFFAOYSA-N -1 1 293.392 2.655 20 0 CFADMM CC(F)(F)CCNC(=O)N=c1[n-]sc2ccccc21 ZINC000640340672 383767122 /nfs/dbraw/zinc/76/71/22/383767122.db2.gz XHSXEAWRKYFNQQ-UHFFFAOYSA-N -1 1 285.319 2.885 20 0 CFADMM CC(C)(C)c1ncc(CN[C@H](C(=O)[O-])c2ccccc2)cn1 ZINC000263433188 383665915 /nfs/dbraw/zinc/66/59/15/383665915.db2.gz SUXXZVDBMUWXEY-AWEZNQCLSA-N -1 1 299.374 2.690 20 0 CFADMM Cc1ncc(CN(C)Cc2cccc(C(=O)[O-])c2)s1 ZINC000263436896 383666489 /nfs/dbraw/zinc/66/64/89/383666489.db2.gz CQNDTYGNYPAQHE-UHFFFAOYSA-N -1 1 276.361 2.782 20 0 CFADMM CCc1ncc(CNCc2ccc(C(=O)[O-])cc2)s1 ZINC000263448066 383667647 /nfs/dbraw/zinc/66/76/47/383667647.db2.gz YNTSYPFMUHRMBR-UHFFFAOYSA-N -1 1 276.361 2.694 20 0 CFADMM Cc1oc(CN(C)C[C@@H](C)C(F)(F)F)cc1C(=O)[O-] ZINC000571172312 383670819 /nfs/dbraw/zinc/67/08/19/383670819.db2.gz UYGFBIHMDAWJJM-SSDOTTSWSA-N -1 1 279.258 2.916 20 0 CFADMM Cc1cnc(C(=O)N(C)C[C@@H](C)C(C)(C)C)c([O-])c1 ZINC000636431341 383811011 /nfs/dbraw/zinc/81/10/11/383811011.db2.gz XKBFDZRPGWMCNP-LLVKDONJSA-N -1 1 264.369 2.850 20 0 CFADMM O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1c([O-])cccc1F ZINC000436516699 383827513 /nfs/dbraw/zinc/82/75/13/383827513.db2.gz VHDQMFKHMFEZEN-GXTWGEPZSA-N -1 1 285.318 2.892 20 0 CFADMM CCc1cc(=O)[n-]c(SCc2cccc(C)n2)n1 ZINC000436254386 383794253 /nfs/dbraw/zinc/79/42/53/383794253.db2.gz QDRMXINGMYFMRN-UHFFFAOYSA-N -1 1 261.350 2.740 20 0 CFADMM CC(=O)[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(C)C ZINC000572600663 383797428 /nfs/dbraw/zinc/79/74/28/383797428.db2.gz AZLMUJQVWDKRPA-LBPRGKRZSA-N -1 1 266.366 2.765 20 0 CFADMM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cc(F)ccc1[O-] ZINC000436573768 383841013 /nfs/dbraw/zinc/84/10/13/383841013.db2.gz DMSSSESRNNWLOJ-NHYWBVRUSA-N -1 1 295.354 2.712 20 0 CFADMM O=C(NCCc1cc(F)ccc1F)c1cc(F)ccc1[O-] ZINC000436576322 383842000 /nfs/dbraw/zinc/84/20/00/383842000.db2.gz QJUBNRDUBKAZOR-UHFFFAOYSA-N -1 1 295.260 2.782 20 0 CFADMM CCO[C@@H]1C[C@H](NC(=O)c2cc(F)ccc2[O-])C12CCC2 ZINC000436589296 383847182 /nfs/dbraw/zinc/84/71/82/383847182.db2.gz JVTIYLZLQQTICM-UONOGXRCSA-N -1 1 293.338 2.609 20 0 CFADMM COCCN(C(=O)c1cc(F)ccc1[O-])[C@@H]1CC[C@@H](C)C1 ZINC000436595631 383850191 /nfs/dbraw/zinc/85/01/91/383850191.db2.gz NBWZJZVNHWRYQR-DGCLKSJQSA-N -1 1 295.354 2.809 20 0 CFADMM COCCN(C(=O)c1cc(F)ccc1[O-])[C@H]1CC[C@@H](C)C1 ZINC000436595637 383850726 /nfs/dbraw/zinc/85/07/26/383850726.db2.gz NBWZJZVNHWRYQR-YPMHNXCESA-N -1 1 295.354 2.809 20 0 CFADMM Cc1ccc(C)c(CN(C)C(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436618092 383855073 /nfs/dbraw/zinc/85/50/73/383855073.db2.gz QACUSXIYXZRLIG-UHFFFAOYSA-N -1 1 297.354 2.850 20 0 CFADMM Cc1cc(NC(=O)c2cn[nH]c2C(C)C)ccc1C(=O)[O-] ZINC000573000542 383858280 /nfs/dbraw/zinc/85/82/80/383858280.db2.gz HKMKBKWQILTPFW-UHFFFAOYSA-N -1 1 287.319 2.792 20 0 CFADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1ccc2n[nH]cc2c1 ZINC000436697332 383873937 /nfs/dbraw/zinc/87/39/37/383873937.db2.gz JQPYAMKAOVZRTQ-VIFPVBQESA-N -1 1 299.305 2.899 20 0 CFADMM C[C@@H]1CC(CCNC(=O)c2cc(F)ccc2[O-])C[C@@H](C)O1 ZINC000436709086 383876028 /nfs/dbraw/zinc/87/60/28/383876028.db2.gz LPQLFHJFLNZVFF-GHMZBOCLSA-N -1 1 295.354 2.855 20 0 CFADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@H]3CC[C@@H]3C)c12 ZINC000573124215 383876918 /nfs/dbraw/zinc/87/69/18/383876918.db2.gz VUDUOZZKWFJHGI-RCOVLWMOSA-N -1 1 291.376 2.639 20 0 CFADMM O=C(N[C@H]1C[C@H]1c1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000436530122 383829806 /nfs/dbraw/zinc/82/98/06/383829806.db2.gz DAYLRPVONBOZIM-JSGCOSHPSA-N -1 1 289.281 2.956 20 0 CFADMM CC[C@@H](C)N(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436534082 383832662 /nfs/dbraw/zinc/83/26/62/383832662.db2.gz JMISRSNFHOTCJN-MRVPVSSYSA-N -1 1 271.744 2.925 20 0 CFADMM CSc1ccc(NC(=O)c2cc(F)ccc2[O-])nc1 ZINC000436550512 383833931 /nfs/dbraw/zinc/83/39/31/383833931.db2.gz IWNJGLDECMCZQQ-UHFFFAOYSA-N -1 1 278.308 2.901 20 0 CFADMM O=c1[nH]c(-c2ccc([O-])c(F)c2)nc2ccc(F)cc12 ZINC000531752222 383914932 /nfs/dbraw/zinc/91/49/32/383914932.db2.gz CJSXDSGMIUKWBJ-UHFFFAOYSA-N -1 1 274.226 2.986 20 0 CFADMM CN(C(=O)c1cc(Cl)ccc1[O-])[C@@H]1CC1(C)C ZINC000436729154 383882800 /nfs/dbraw/zinc/88/28/00/383882800.db2.gz QBGYQXAJIREGLH-LLVKDONJSA-N -1 1 253.729 2.916 20 0 CFADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@H]1CC1(C)C 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COc1cccc([C@H](C)CC(=O)Nc2c(C)[n-][nH]c2=O)c1 ZINC000646413376 383990900 /nfs/dbraw/zinc/99/09/00/383990900.db2.gz WWWAXBDBFIGLQD-SECBINFHSA-N -1 1 289.335 2.565 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000646413285 383991158 /nfs/dbraw/zinc/99/11/58/383991158.db2.gz ZOWPHMYTPVYVDR-UHFFFAOYSA-N -1 1 289.310 2.623 20 0 CFADMM CCCc1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC000646412146 383991374 /nfs/dbraw/zinc/99/13/74/383991374.db2.gz DQHXDBKUYPXFKZ-UHFFFAOYSA-N -1 1 259.309 2.629 20 0 CFADMM CCC[C@@H](C(=O)Nc1c(C)[n-][nH]c1=O)c1ccccc1 ZINC000646412801 383991744 /nfs/dbraw/zinc/99/17/44/383991744.db2.gz ADNVPSJNWUCUSK-GFCCVEGCSA-N -1 1 273.336 2.946 20 0 CFADMM Cc1ccc(CCCC(=O)Nc2c(C)[n-][nH]c2=O)s1 ZINC000646412987 383991946 /nfs/dbraw/zinc/99/19/46/383991946.db2.gz LXPJNMCRYRHLGW-UHFFFAOYSA-N -1 1 279.365 2.755 20 0 CFADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000646412162 383992026 /nfs/dbraw/zinc/99/20/26/383992026.db2.gz FGHYDRKKNQKGGK-RXMQYKEDSA-N -1 1 285.756 2.881 20 0 CFADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(NC2CC2)nc1 ZINC000532012814 383960085 /nfs/dbraw/zinc/96/00/85/383960085.db2.gz INKPPVUNRLWCEJ-UHFFFAOYSA-N -1 1 287.294 2.753 20 0 CFADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@H](C)[C@@H](C)O1 ZINC000438420049 384001242 /nfs/dbraw/zinc/00/12/42/384001242.db2.gz VRGIXRNGAIGDLG-OPRDCNLKSA-N -1 1 283.755 2.684 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC(C2CC2)CC1 ZINC000646770905 384078438 /nfs/dbraw/zinc/07/84/38/384078438.db2.gz JRVWUORYFRAIOR-UHFFFAOYSA-N -1 1 263.312 2.794 20 0 CFADMM CCCCc1noc([C@H](C)N2CCC[C@@H](CC(=O)[O-])C2)n1 ZINC000532881520 384080895 /nfs/dbraw/zinc/08/08/95/384080895.db2.gz NSFASGSMUMBLEO-RYUDHWBXSA-N -1 1 295.383 2.660 20 0 CFADMM CC(C)C1(C[N-]S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000440382676 384080843 /nfs/dbraw/zinc/08/08/43/384080843.db2.gz LMCNESMKVAGGPL-UHFFFAOYSA-N -1 1 289.347 2.679 20 0 CFADMM CCCC1(CNC(=O)C(=O)c2ccc([O-])cc2)CCC1 ZINC000281101833 195103657 /nfs/dbraw/zinc/10/36/57/195103657.db2.gz VZFSSISPKFTYFF-UHFFFAOYSA-N -1 1 275.348 2.662 20 0 CFADMM CC[C@@H](F)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000440575857 384106263 /nfs/dbraw/zinc/10/62/63/384106263.db2.gz LASHBNNJVODQRE-SECBINFHSA-N -1 1 286.372 2.904 20 0 CFADMM CC[C@@H](F)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000440575857 384106274 /nfs/dbraw/zinc/10/62/74/384106274.db2.gz LASHBNNJVODQRE-SECBINFHSA-N -1 1 286.372 2.904 20 0 CFADMM C[C@@H]1CN(Cc2csc(C(C)(C)C)n2)C[C@]1(C)C(=O)[O-] ZINC000574525924 384111231 /nfs/dbraw/zinc/11/12/31/384111231.db2.gz PDIDQWJZGLEQGM-BMIGLBTASA-N -1 1 296.436 2.983 20 0 CFADMM CO[C@H]1CC[N@@H+](Cc2ccc(C)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000574652538 384129362 /nfs/dbraw/zinc/12/93/62/384129362.db2.gz QRXTXFLPOSKBGE-GXTWGEPZSA-N -1 1 297.782 2.712 20 0 CFADMM Cc1noc(C)c1CN(CCC(=O)[O-])Cc1ccccc1 ZINC000071740329 412980027 /nfs/dbraw/zinc/98/00/27/412980027.db2.gz JCILMZAQVKWYKI-UHFFFAOYSA-N -1 1 288.347 2.768 20 0 CFADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2)cc1O ZINC000680809293 542367632 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ZINC000415647329 393814748 /nfs/dbraw/zinc/81/47/48/393814748.db2.gz MQKSVKBDQJQGHX-SNVBAGLBSA-N -1 1 295.383 2.987 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](C)CCC(C)(C)C)n1 ZINC000415647329 393814750 /nfs/dbraw/zinc/81/47/50/393814750.db2.gz MQKSVKBDQJQGHX-SNVBAGLBSA-N -1 1 295.383 2.987 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)[C@@H](C)C(CC)CC)[n-]1 ZINC000415650653 393814910 /nfs/dbraw/zinc/81/49/10/393814910.db2.gz SCAQRIFAHIWROK-VIFPVBQESA-N -1 1 281.356 2.597 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](C)C(CC)CC)n1 ZINC000415650653 393814913 /nfs/dbraw/zinc/81/49/13/393814913.db2.gz SCAQRIFAHIWROK-VIFPVBQESA-N -1 1 281.356 2.597 20 0 CFADMM CC[C@@H]1c2ccsc2CCN1C(=O)c1cncc([O-])c1 ZINC000109042437 393877310 /nfs/dbraw/zinc/87/73/10/393877310.db2.gz OPTSPNLFITVDBG-CYBMUJFWSA-N -1 1 288.372 2.998 20 0 CFADMM O=S(=O)([N-]C1CCC1)c1c(Cl)cc(F)cc1Cl ZINC000416509789 393923320 /nfs/dbraw/zinc/92/33/20/393923320.db2.gz VQFCUBVNFHYPGQ-UHFFFAOYSA-N -1 1 298.166 2.963 20 0 CFADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCC1 ZINC000684869742 542864598 /nfs/dbraw/zinc/86/45/98/542864598.db2.gz YUEAHOXYTOFYCF-UHFFFAOYSA-N -1 1 259.227 2.647 20 0 CFADMM Cc1csc([C@H](C)CNC(=O)c2ccc([O-])cc2F)n1 ZINC000119839803 393925744 /nfs/dbraw/zinc/92/57/44/393925744.db2.gz KQUOZBHCDJOFRJ-MRVPVSSYSA-N -1 1 294.351 2.830 20 0 CFADMM Cc1cc(=O)[nH]c(C=Cc2cc(F)c([O-])c(F)c2)n1 ZINC000436785211 394021867 /nfs/dbraw/zinc/02/18/67/394021867.db2.gz SPSDMZZTDIZFTD-NSCUHMNNSA-N -1 1 264.231 2.645 20 0 CFADMM COc1cc(C)ccc1CNCc1ccccc1CC(=O)[O-] ZINC000417549434 393974189 /nfs/dbraw/zinc/97/41/89/393974189.db2.gz STFJVGRQKRUBKR-UHFFFAOYSA-N -1 1 299.370 2.921 20 0 CFADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccco2)c1 ZINC000417588635 393980676 /nfs/dbraw/zinc/98/06/76/393980676.db2.gz UUVGKFZZZLIMFU-AWEZNQCLSA-N -1 1 275.304 2.594 20 0 CFADMM Cc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)o1 ZINC000417612127 393983532 /nfs/dbraw/zinc/98/35/32/393983532.db2.gz BLSPZXWXHHZGKM-CABCVRRESA-N -1 1 271.316 2.991 20 0 CFADMM Cc1csc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000417620197 393985281 /nfs/dbraw/zinc/98/52/81/393985281.db2.gz FXAAZTCEFWUQDP-CHWSQXEVSA-N -1 1 288.372 2.854 20 0 CFADMM COc1ccc(F)cc1CNC(=O)c1c([O-])cccc1F ZINC000436823939 394025711 /nfs/dbraw/zinc/02/57/11/394025711.db2.gz DUWBWQQFNCSRRC-UHFFFAOYSA-N -1 1 293.269 2.609 20 0 CFADMM C[C@H](c1ncc(C(C)(C)C)o1)N(C)CCCC(=O)[O-] ZINC000430662058 394002834 /nfs/dbraw/zinc/00/28/34/394002834.db2.gz RCMIPWCGCCQIAT-SNVBAGLBSA-N -1 1 268.357 2.830 20 0 CFADMM C[C@@H](c1nc(-c2ccccc2)no1)N(C)CCCC(=O)[O-] ZINC000430667975 394003508 /nfs/dbraw/zinc/00/35/08/394003508.db2.gz GXNZJVNUYRXDCW-NSHDSACASA-N -1 1 289.335 2.594 20 0 CFADMM Cc1c(C(=O)Nc2ccc(F)cc2[O-])cnn1CC(C)C ZINC000270975175 394015806 /nfs/dbraw/zinc/01/58/06/394015806.db2.gz QTUGVUAQKUDOJU-UHFFFAOYSA-N -1 1 291.326 2.945 20 0 CFADMM C[C@H](CNC(=O)c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000436957243 394038342 /nfs/dbraw/zinc/03/83/42/394038342.db2.gz SOLRTKMIBJHBFW-ZCFIWIBFSA-N -1 1 281.661 2.974 20 0 CFADMM CC(C)[C@H]1CCC[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436984690 394040405 /nfs/dbraw/zinc/04/04/05/394040405.db2.gz ZKVOHSRQAHXHRY-UONOGXRCSA-N -1 1 289.375 2.906 20 0 CFADMM COC1CCC(CCNC(=O)c2ccc([O-])cc2F)CC1 ZINC000436984543 394040600 /nfs/dbraw/zinc/04/06/00/394040600.db2.gz CBKQVKMZUUARSG-UHFFFAOYSA-N -1 1 295.354 2.856 20 0 CFADMM COC1CCC(C)(CNC(=O)c2c([O-])cccc2F)CC1 ZINC000436988594 394041678 /nfs/dbraw/zinc/04/16/78/394041678.db2.gz LYORKRUKWPPNCS-UHFFFAOYSA-N -1 1 295.354 2.856 20 0 CFADMM CCO[C@@H](CCNC(=O)c1c([O-])cccc1F)C(C)C ZINC000127643438 394054228 /nfs/dbraw/zinc/05/42/28/394054228.db2.gz OHTFCHMIFBAAGE-ZDUSSCGKSA-N -1 1 283.343 2.712 20 0 CFADMM CCC1(CNC(=O)c2c([O-])cccc2F)CCC1 ZINC000128863727 394077435 /nfs/dbraw/zinc/07/74/35/394077435.db2.gz YVHGIVHGWNVDCM-UHFFFAOYSA-N -1 1 251.301 2.841 20 0 CFADMM Cc1cc(S(=O)(=O)[N-]c2ccsc2)ccc1F ZINC000438775096 394081019 /nfs/dbraw/zinc/08/10/19/394081019.db2.gz KVPXRXKKFFWQKE-UHFFFAOYSA-N -1 1 271.338 2.996 20 0 CFADMM CC[C@H](c1ccncc1)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000438916534 394086881 /nfs/dbraw/zinc/08/68/81/394086881.db2.gz KBSODXFFOXKZIX-OAHLLOKOSA-N -1 1 298.342 2.580 20 0 CFADMM CCOCC1(C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000281945302 394099266 /nfs/dbraw/zinc/09/92/66/394099266.db2.gz LNEADFOWYXORHZ-UHFFFAOYSA-N -1 1 269.728 2.801 20 0 CFADMM CC(C)(C)C(C)(C)CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000436839461 394027971 /nfs/dbraw/zinc/02/79/71/394027971.db2.gz MMIHXASRQZYHIA-UHFFFAOYSA-N -1 1 277.364 2.763 20 0 CFADMM O=C(NC1(CCO)CCCC1)c1ccc2ccccc2c1[O-] ZINC000436846961 394028829 /nfs/dbraw/zinc/02/88/29/394028829.db2.gz IRYPSAZGJMDXJM-UHFFFAOYSA-N -1 1 299.370 2.970 20 0 CFADMM CCc1ccc(CN(C)C(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436864622 394030803 /nfs/dbraw/zinc/03/08/03/394030803.db2.gz ZSRBIKPZEJJDGW-UHFFFAOYSA-N -1 1 297.354 2.796 20 0 CFADMM CC[C@H]1CC[C@H](NC(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000436897479 394032604 /nfs/dbraw/zinc/03/26/04/394032604.db2.gz YZQQIVUBXCLALJ-AULYBMBSSA-N -1 1 275.348 2.660 20 0 CFADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1cc(Cl)ccc1[O-] ZINC000436905292 394032746 /nfs/dbraw/zinc/03/27/46/394032746.db2.gz HPXSGMMJQGCADF-GXSJLCMTSA-N -1 1 251.713 2.574 20 0 CFADMM C[C@@H]1CC(NC(=O)C(=O)c2ccc([O-])cc2)C[C@@H](C)C1 ZINC000436901486 394033013 /nfs/dbraw/zinc/03/30/13/394033013.db2.gz BMKCXFJWLLSHAX-QWRGUYRKSA-N -1 1 275.348 2.516 20 0 CFADMM C[C@H]1C[C@H](NC(=O)C(=O)c2ccc([O-])cc2)C[C@@H](C)C1 ZINC000436901485 394033142 /nfs/dbraw/zinc/03/31/42/394033142.db2.gz BMKCXFJWLLSHAX-PJXYFTJBSA-N -1 1 275.348 2.516 20 0 CFADMM CC(C)CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436912390 394034174 /nfs/dbraw/zinc/03/41/74/394034174.db2.gz COSPSICZEDFIFG-UHFFFAOYSA-N -1 1 294.742 2.815 20 0 CFADMM CC(C)CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436912390 394034176 /nfs/dbraw/zinc/03/41/76/394034176.db2.gz COSPSICZEDFIFG-UHFFFAOYSA-N -1 1 294.742 2.815 20 0 CFADMM O=C(c1ccc([O-])cc1F)N(CC1CC1)C1CCC1 ZINC000436931116 394036391 /nfs/dbraw/zinc/03/63/91/394036391.db2.gz ZLBFKQMUHCYRBK-UHFFFAOYSA-N -1 1 263.312 2.936 20 0 CFADMM CCS[C@H]1CCC[C@H](NC(=O)c2ncc(C)cc2[O-])C1 ZINC000358543740 394109708 /nfs/dbraw/zinc/10/97/08/394109708.db2.gz GJQIFQNRCYGDNW-RYUDHWBXSA-N -1 1 294.420 2.890 20 0 CFADMM CCc1ccccc1[C@@H](N)CN=c1[n-]nc(C(C)C)s1 ZINC000420270344 394111095 /nfs/dbraw/zinc/11/10/95/394111095.db2.gz GJCPDCMGSDCLDK-ZDUSSCGKSA-N -1 1 290.436 2.758 20 0 CFADMM Cc1csc([C@@H](C)CNC(=O)c2c([O-])cccc2F)n1 ZINC000131895644 394142743 /nfs/dbraw/zinc/14/27/43/394142743.db2.gz YFWJXGKXVCUGKN-QMMMGPOBSA-N -1 1 294.351 2.830 20 0 CFADMM C[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(F)ccc1[O-] ZINC000132147176 394148117 /nfs/dbraw/zinc/14/81/17/394148117.db2.gz SKRMAEGBWFIHMB-SNVBAGLBSA-N -1 1 289.306 2.598 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285936950 394168983 /nfs/dbraw/zinc/16/89/83/394168983.db2.gz VUOGJLUHCYLHGR-OCCSQVGLSA-N -1 1 295.766 2.829 20 0 CFADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccoc2)on1 ZINC000286046841 394183398 /nfs/dbraw/zinc/18/33/98/394183398.db2.gz QVCHXYCSXJEKGK-UHFFFAOYSA-N -1 1 298.364 2.650 20 0 CFADMM CC(C)(C(=O)Nc1n[n-]c(C(F)(F)F)n1)C1CCC1 ZINC000448774500 394183423 /nfs/dbraw/zinc/18/34/23/394183423.db2.gz ZFWDYFLTHMBHOG-UHFFFAOYSA-N -1 1 276.262 2.588 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H](OCC2CC2)C1 ZINC000364441434 394213450 /nfs/dbraw/zinc/21/34/50/394213450.db2.gz FDCSHOFJRATDTJ-CYBMUJFWSA-N -1 1 293.338 2.563 20 0 CFADMM CC[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ncc[nH]1 ZINC000139747260 394244996 /nfs/dbraw/zinc/24/49/96/394244996.db2.gz CJVXNXYTKLSJDR-JTQLQIEISA-N -1 1 279.727 2.650 20 0 CFADMM CCC[C@H](NC(=O)C[C@H]1CCCC(C)(C)C1)c1nn[n-]n1 ZINC000155474603 394317333 /nfs/dbraw/zinc/31/73/33/394317333.db2.gz WOZGZKWQRPAUET-NEPJUHHUSA-N -1 1 293.415 2.764 20 0 CFADMM CC(C)C[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000157596487 394347944 /nfs/dbraw/zinc/34/79/44/394347944.db2.gz XBAFAHDISXXSNY-VIFPVBQESA-N -1 1 277.336 2.678 20 0 CFADMM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1sccc1Cl ZINC000451192103 394367084 /nfs/dbraw/zinc/36/70/84/394367084.db2.gz HUTIKAVGSHFIQX-ZETCQYMHSA-N -1 1 279.814 2.726 20 0 CFADMM CC(C)[C@H](C)C[N-]S(=O)(=O)c1sccc1Cl ZINC000451232579 394369435 /nfs/dbraw/zinc/36/94/35/394369435.db2.gz UFVSMQFRCRZYAG-MRVPVSSYSA-N -1 1 281.830 2.972 20 0 CFADMM CC(C)n1cnc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000684976804 542882687 /nfs/dbraw/zinc/88/26/87/542882687.db2.gz GDRHWOCZDVMHCU-UHFFFAOYSA-N -1 1 263.272 2.561 20 0 CFADMM CN(C(=O)c1ccc2ccccc2c1[O-])c1cnccn1 ZINC000685055129 542891419 /nfs/dbraw/zinc/89/14/19/542891419.db2.gz XATFZFWERFQLIZ-UHFFFAOYSA-N -1 1 279.299 2.612 20 0 CFADMM CC(C)Cc1nc(=NC[C@@H]2CCN2C2CCCC2)s[n-]1 ZINC000528211725 394402994 /nfs/dbraw/zinc/40/29/94/394402994.db2.gz VCFILNPASMTBIU-ZDUSSCGKSA-N -1 1 294.468 2.587 20 0 CFADMM Cc1cccc([C@@H](Nc2nc3[nH][n-]cc-3c(=O)n2)C(C)C)c1 ZINC000528210961 394403135 /nfs/dbraw/zinc/40/31/35/394403135.db2.gz DDBGGSAQPCKLJG-ZDUSSCGKSA-N -1 1 297.362 2.550 20 0 CFADMM CCc1cnc(CSc2nc(C(F)F)cc(=O)[n-]2)o1 ZINC000685575294 542929925 /nfs/dbraw/zinc/92/99/25/542929925.db2.gz PKOHGJCRAVGZEH-UHFFFAOYSA-N -1 1 287.291 2.963 20 0 CFADMM O=C([O-])[C@@H]1c2ccoc2CCN1CCCCC(F)(F)F ZINC000530166672 394466383 /nfs/dbraw/zinc/46/63/83/394466383.db2.gz PZMBNLWCTUOGTM-NSHDSACASA-N -1 1 291.269 2.996 20 0 CFADMM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC(F)(F)CC1 ZINC000530173774 394469144 /nfs/dbraw/zinc/46/91/44/394469144.db2.gz ZRUNYXPVCIPEKT-NSHDSACASA-N -1 1 273.254 2.683 20 0 CFADMM O=C([O-])CCC1CCN(Cc2ncccc2Cl)CC1 ZINC000530214472 394483243 /nfs/dbraw/zinc/48/32/43/394483243.db2.gz RLGWKBPHJPFCIA-UHFFFAOYSA-N -1 1 282.771 2.812 20 0 CFADMM CC(C)Cn1cc(C(=O)Nc2cccc(F)c2[O-])cn1 ZINC000530005065 394441505 /nfs/dbraw/zinc/44/15/05/394441505.db2.gz HVRCXSRWXFJFAA-UHFFFAOYSA-N -1 1 277.299 2.636 20 0 CFADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000530005910 394441986 /nfs/dbraw/zinc/44/19/86/394441986.db2.gz NXDSYBABJXGHHH-AWEZNQCLSA-N -1 1 292.354 2.877 20 0 CFADMM COCc1nc(=NCC[C@H]2CCCC2(C)C)s[n-]1 ZINC000528067105 394443424 /nfs/dbraw/zinc/44/34/24/394443424.db2.gz GLQZPCCSRWZZCJ-SNVBAGLBSA-N -1 1 269.414 2.735 20 0 CFADMM CCCCOCCSc1nc(C)c(C)c(=O)[n-]1 ZINC000537415878 394582139 /nfs/dbraw/zinc/58/21/39/394582139.db2.gz RXCAUMFVFIIMTL-UHFFFAOYSA-N -1 1 256.371 2.708 20 0 CFADMM O=C(NCC=Cc1ccccc1)c1csc(=NC2CC2)[n-]1 ZINC000539790162 394632763 /nfs/dbraw/zinc/63/27/63/394632763.db2.gz XHVBDJWMNYYHDI-DAXSKMNVSA-N -1 1 299.399 2.583 20 0 CFADMM CCc1cccc2c1N(C(=O)c1ccc(O)cc1[O-])CC2 ZINC000543747843 394741779 /nfs/dbraw/zinc/74/17/79/394741779.db2.gz QAZUWPGHKQNRJL-UHFFFAOYSA-N -1 1 283.327 2.863 20 0 CFADMM CC(=O)N1CCc2c1cccc2NC(=O)c1ccccc1[O-] ZINC000547426428 394865957 /nfs/dbraw/zinc/86/59/57/394865957.db2.gz QVPFLFPFKPQOCG-UHFFFAOYSA-N -1 1 296.326 2.554 20 0 CFADMM CC1(C)CN(C(=O)c2ccc([O-])c(F)c2)[C@H]1[C@H]1CCCO1 ZINC000685885693 542954075 /nfs/dbraw/zinc/95/40/75/542954075.db2.gz LSXKKPZCSLAACD-KGLIPLIRSA-N -1 1 293.338 2.561 20 0 CFADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H]2CCCC[C@H]12 ZINC000547971724 394900914 /nfs/dbraw/zinc/90/09/14/394900914.db2.gz JMTFEYKWCZIBNA-UPJWGTAASA-N -1 1 274.364 2.828 20 0 CFADMM CCC(CC)N(C(=O)c1ncc(C)cc1[O-])C1CC1 ZINC000548632770 394941183 /nfs/dbraw/zinc/94/11/83/394941183.db2.gz IHABZDSWPFGBAS-UHFFFAOYSA-N -1 1 262.353 2.889 20 0 CFADMM Cc1nc(S(=O)(=O)[N-][C@H](C)C2CCCC2)sc1C ZINC000556318515 394999013 /nfs/dbraw/zinc/99/90/13/394999013.db2.gz RNTJUMVJALOOQM-SECBINFHSA-N -1 1 288.438 2.617 20 0 CFADMM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1F)C1CC1 ZINC000556375877 394999745 /nfs/dbraw/zinc/99/97/45/394999745.db2.gz VDAZMAIORZQHGK-UHFFFAOYSA-N -1 1 291.775 2.946 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H](c2cccnc2)C1 ZINC000648966345 395378200 /nfs/dbraw/zinc/37/82/00/395378200.db2.gz YGCRVMWWCXNPKK-CYBMUJFWSA-N -1 1 286.306 2.556 20 0 CFADMM O=C(N[C@@H](C1CCC1)C1CCCC1)c1cncc([O-])c1 ZINC000649004612 395395619 /nfs/dbraw/zinc/39/56/19/395395619.db2.gz CCQRNLGSQUGFDM-OAHLLOKOSA-N -1 1 274.364 2.876 20 0 CFADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)CC2(CCCC2)O1 ZINC000649179690 395448721 /nfs/dbraw/zinc/44/87/21/395448721.db2.gz RKYYQSLLECRACC-LLVKDONJSA-N -1 1 293.338 2.705 20 0 CFADMM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000649099686 395428502 /nfs/dbraw/zinc/42/85/02/395428502.db2.gz GWHDMSCUGCWIQJ-DTORHVGOSA-N -1 1 299.317 2.746 20 0 CFADMM CC(F)(F)C[N-]S(=O)(=O)CCC1CCCCC1 ZINC000650020439 395600471 /nfs/dbraw/zinc/60/04/71/395600471.db2.gz CJMUSXLREMDPKP-UHFFFAOYSA-N -1 1 269.357 2.531 20 0 CFADMM CC[C@@]1(NC(=O)c2cc3ccccc3cc2[O-])CCOC1 ZINC000378740598 543052422 /nfs/dbraw/zinc/05/24/22/543052422.db2.gz HFXLWQVLNQZTOW-QGZVFWFLSA-N -1 1 285.343 2.844 20 0 CFADMM C[C@H]1CN(Cc2csc(C(C)(C)C)n2)CC[C@@H]1C(=O)[O-] ZINC000312640462 413092825 /nfs/dbraw/zinc/09/28/25/413092825.db2.gz ZTGRKGUJSYQAHI-JQWIXIFHSA-N -1 1 296.436 2.983 20 0 CFADMM C[C@H]1C[C@@H]1c1ccc(CN2[C@@H](C)CC[C@H]2C(=O)[O-])o1 ZINC000650794114 413164834 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156333978 /nfs/dbraw/zinc/33/39/78/156333978.db2.gz PFFHUOSVZZKZFI-ZDUSSCGKSA-N -1 1 290.294 2.805 20 0 CFADMM CC(=O)[C@@H](C)CCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000657249638 413366773 /nfs/dbraw/zinc/36/67/73/413366773.db2.gz PDRKXCLZYXKZCH-LURJTMIESA-N -1 1 294.298 2.908 20 0 CFADMM Cc1cnc(SCc2cccc(N(C)C)c2)[n-]c1=O ZINC000657261786 413378698 /nfs/dbraw/zinc/37/86/98/413378698.db2.gz WQOJWLGPAPHRPC-UHFFFAOYSA-N -1 1 275.377 2.849 20 0 CFADMM Cc1cc(CSc2nc(C(F)F)cc(=O)[n-]2)nc(C)n1 ZINC000657260307 413379790 /nfs/dbraw/zinc/37/97/90/413379790.db2.gz VAXKLBVKKWOVCS-UHFFFAOYSA-N -1 1 298.318 2.819 20 0 CFADMM COC(=O)c1[n-]c(=NCc2cc(C)cs2)sc1C ZINC000344558813 162066855 /nfs/dbraw/zinc/06/68/55/162066855.db2.gz YXRHGOITLWJZLI-UHFFFAOYSA-N -1 1 282.390 2.642 20 0 CFADMM O=S(=O)([N-]CCC1(F)CCC1)c1cc(F)ccc1F ZINC000344965256 162156389 /nfs/dbraw/zinc/15/63/89/162156389.db2.gz WXZVDESSNNZMQO-UHFFFAOYSA-N -1 1 293.310 2.525 20 0 CFADMM COc1cccc2c(C(=O)Nc3cccc(F)c3)n[nH]c21 ZINC000345142956 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163207570 /nfs/dbraw/zinc/20/75/70/163207570.db2.gz FRKIAABOJLNWCB-UHFFFAOYSA-N -1 1 269.276 2.807 20 0 CFADMM CCOC(=O)[C@H](CC)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000351873203 163207678 /nfs/dbraw/zinc/20/76/78/163207678.db2.gz BOUGMDDAUINVNN-ZETCQYMHSA-N -1 1 292.307 2.554 20 0 CFADMM CC[C@H](C)C(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000351895135 163212734 /nfs/dbraw/zinc/21/27/34/163212734.db2.gz ZXUXYQZJTHQQFA-LURJTMIESA-N -1 1 276.308 2.827 20 0 CFADMM CCCC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000351903522 163214137 /nfs/dbraw/zinc/21/41/37/163214137.db2.gz XWVNQEFALZQZQO-UHFFFAOYSA-N -1 1 262.281 2.581 20 0 CFADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccncc1 ZINC000005652592 170123960 /nfs/dbraw/zinc/12/39/60/170123960.db2.gz OYGHLORPJIQWKO-UHFFFAOYSA-N -1 1 282.752 2.844 20 0 CFADMM O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1cccc(F)c1 ZINC000007050433 170264342 /nfs/dbraw/zinc/26/43/42/170264342.db2.gz DMRVOBLLZGFOIS-UHFFFAOYSA-N -1 1 291.307 2.503 20 0 CFADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@@H](C)CO1 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ZINC000652498352 413993485 /nfs/dbraw/zinc/99/34/85/413993485.db2.gz FNTHIWZAXBLGDP-MWLCHTKSSA-N -1 1 297.424 2.730 20 0 CFADMM CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1ccc([O-])c(F)c1 ZINC000652763003 414068239 /nfs/dbraw/zinc/06/82/39/414068239.db2.gz RCENIQVZDYDCNH-NEPJUHHUSA-N -1 1 281.327 2.561 20 0 CFADMM Cc1cnc(C(=O)N2CCc3ccccc3[C@H](C)C2)c([O-])c1 ZINC000652884826 414112095 /nfs/dbraw/zinc/11/20/95/414112095.db2.gz PMTBAHYNIZDROF-CYBMUJFWSA-N -1 1 296.370 2.898 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H](OC2CCC2)C1 ZINC000655281153 414173014 /nfs/dbraw/zinc/17/30/14/414173014.db2.gz CPLPLWIKMMLELZ-ZDUSSCGKSA-N -1 1 293.338 2.705 20 0 CFADMM CC[C@H](NC(=O)c1cc(F)ccc1[O-])[C@H]1CCCCO1 ZINC000655350994 414211028 /nfs/dbraw/zinc/21/10/28/414211028.db2.gz VMYVMYSTGGAMAG-GXTWGEPZSA-N -1 1 281.327 2.609 20 0 CFADMM CN(Cc1csc(-c2ccco2)n1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802399 414560699 /nfs/dbraw/zinc/56/06/99/414560699.db2.gz UDPCOAHCQPQLNS-JGZJWPJOSA-N -1 1 292.360 2.698 20 0 CFADMM CN(Cc1nc2ccccc2s1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801923 414561897 /nfs/dbraw/zinc/56/18/97/414561897.db2.gz MXDPUBNLUVLVAR-AOOOYVTPSA-N -1 1 276.361 2.591 20 0 CFADMM CCc1nc(CN2CCCC[C@H]2CC(=O)[O-])cs1 ZINC000038027381 174012783 /nfs/dbraw/zinc/01/27/83/174012783.db2.gz FZIDMSBBUBTMLR-NSHDSACASA-N -1 1 268.382 2.535 20 0 CFADMM O=C(NCCc1ccc(O)cc1)c1cc(Cl)ccc1[O-] ZINC000038031835 174027335 /nfs/dbraw/zinc/02/73/35/174027335.db2.gz BTPXPFSWFSHYCN-UHFFFAOYSA-N -1 1 291.734 2.724 20 0 CFADMM O=C(NCc1cccc(O)c1)c1cc(Cl)ccc1[O-] ZINC000038032197 174027847 /nfs/dbraw/zinc/02/78/47/174027847.db2.gz PCFMNWBDRPOHNZ-UHFFFAOYSA-N -1 1 277.707 2.681 20 0 CFADMM CCN(CCC(=O)[O-])Cc1nc2ccccc2s1 ZINC000038090491 174103671 /nfs/dbraw/zinc/10/36/71/174103671.db2.gz JRUWJCKXYAUFRI-UHFFFAOYSA-N -1 1 264.350 2.593 20 0 CFADMM CC1(C)CC([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000660125902 414667239 /nfs/dbraw/zinc/66/72/39/414667239.db2.gz UXXKTYDZTMHVFQ-UHFFFAOYSA-N -1 1 293.310 2.571 20 0 CFADMM O=C(NC[C@H]1CCCOC1)c1cc2ccccc2cc1[O-] ZINC000044352355 175166170 /nfs/dbraw/zinc/16/61/70/175166170.db2.gz RYMNVQKPGDZTBK-GFCCVEGCSA-N -1 1 285.343 2.702 20 0 CFADMM CC1(C)[C@@H](NC(=O)c2cc(Cl)ccc2[O-])[C@@H]2CCO[C@@H]21 ZINC000078157036 177324788 /nfs/dbraw/zinc/32/47/88/177324788.db2.gz IVJZKUYUNHGPLC-XDTLVQLUSA-N -1 1 295.766 2.589 20 0 CFADMM O=C(Nc1ccc(-n2cccn2)cc1)c1ccc(O)cc1[O-] ZINC000192594510 228163766 /nfs/dbraw/zinc/16/37/66/228163766.db2.gz LZZSCHMRYYBEGG-UHFFFAOYSA-N -1 1 295.298 2.536 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000335665028 304497951 /nfs/dbraw/zinc/49/79/51/304497951.db2.gz ZFYOHVBUEWDVGS-BXUZGUMPSA-N -1 1 293.338 2.563 20 0 CFADMM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000397114305 270315683 /nfs/dbraw/zinc/31/56/83/270315683.db2.gz FTAWLYQMAZHXAB-FZMZJTMJSA-N -1 1 251.301 2.696 20 0 CFADMM COC(=O)c1cc(F)cnc1-c1ccc([O-])c(F)c1 ZINC001240783603 782029577 /nfs/dbraw/zinc/02/95/77/782029577.db2.gz UTUFCQYFRJBKGZ-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM Cc1nc2c(ccn2C)c(-c2ccc([O-])c(F)c2)n1 ZINC001240782112 782030617 /nfs/dbraw/zinc/03/06/17/782030617.db2.gz PRPVDUQQNWDBNB-UHFFFAOYSA-N -1 1 257.268 2.788 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC(F)(F)C(F)(F)C1 ZINC000313355784 260287471 /nfs/dbraw/zinc/28/74/71/260287471.db2.gz XDFBYTKCPVRSDI-UHFFFAOYSA-N -1 1 297.635 2.772 20 0 CFADMM CC1(CNC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000223641206 260340357 /nfs/dbraw/zinc/34/03/57/260340357.db2.gz WAFIIMLKOXGPBV-UHFFFAOYSA-N -1 1 284.153 2.685 20 0 CFADMM CCCCOc1ccc(C(=O)Nc2ccn(C)n2)c([O-])c1 ZINC000190034026 264345726 /nfs/dbraw/zinc/34/57/26/264345726.db2.gz CTGFTXOTMPZQAC-UHFFFAOYSA-N -1 1 289.335 2.557 20 0 CFADMM CC1(C)C[C@H]1CNC(=O)c1cc(Br)ccc1[O-] ZINC000226260285 270256681 /nfs/dbraw/zinc/25/66/81/270256681.db2.gz SDVFMMRTTCETIE-QMMMGPOBSA-N -1 1 298.180 2.931 20 0 CFADMM C[C@H]1CCC[C@@H]1CNC(=O)c1cc(F)ccc1[O-] ZINC000230688064 270260249 /nfs/dbraw/zinc/26/02/49/270260249.db2.gz BEKKIGYPBFJORZ-VHSXEESVSA-N -1 1 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O=C([O-])c1cc(Cl)cc(-c2cc3[nH]cnc3cn2)c1 ZINC001243322978 782137393 /nfs/dbraw/zinc/13/73/93/782137393.db2.gz QUOPRONTFDPKQF-UHFFFAOYSA-N -1 1 273.679 2.977 20 0 CFADMM COCc1ccnc(-c2ccc([O-])c(F)c2F)c1 ZINC001243338447 782143184 /nfs/dbraw/zinc/14/31/84/782143184.db2.gz JWBNLYOAVFENBT-UHFFFAOYSA-N -1 1 251.232 2.879 20 0 CFADMM CN(C)c1ccc(-c2ccc([O-])c(F)c2F)nc1 ZINC001243341562 782145956 /nfs/dbraw/zinc/14/59/56/782145956.db2.gz OHFQRRJCMFWALJ-UHFFFAOYSA-N -1 1 250.248 2.798 20 0 CFADMM [O-]c1ccc(-c2ccc(Cn3cncn3)cc2)c(F)c1F ZINC001243343285 782149305 /nfs/dbraw/zinc/14/93/05/782149305.db2.gz YNSKCWHFMFPQPR-UHFFFAOYSA-N -1 1 287.269 2.977 20 0 CFADMM CC1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000336439709 521055720 /nfs/dbraw/zinc/05/57/20/521055720.db2.gz ZNINCYFZESXTNP-UHFFFAOYSA-N -1 1 259.227 2.503 20 0 CFADMM COc1ccc(N(C)C(=O)c2ccccc2[O-])c(OC)c1 ZINC000157966925 533980940 /nfs/dbraw/zinc/98/09/40/533980940.db2.gz CXWUAELTIMSIJS-UHFFFAOYSA-N -1 1 287.315 2.686 20 0 CFADMM Cc1cc2c(cc1NC(=O)c1cc(F)ccc1[O-])OCO2 ZINC000182711176 534066848 /nfs/dbraw/zinc/06/68/48/534066848.db2.gz GQMUNEJGPKGUPI-UHFFFAOYSA-N -1 1 289.262 2.821 20 0 CFADMM C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(O)cc1[O-] ZINC000192886426 534074950 /nfs/dbraw/zinc/07/49/50/534074950.db2.gz ACOTTXDRUVHOMB-SNVBAGLBSA-N -1 1 269.300 2.689 20 0 CFADMM COc1ccc([N-]S(=O)(=O)c2cccc(C)c2)c(C)n1 ZINC000178028214 534188087 /nfs/dbraw/zinc/18/80/87/534188087.db2.gz UNUQPAPOFVRFMI-UHFFFAOYSA-N -1 1 292.360 2.508 20 0 CFADMM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccccc32)c1 ZINC000055185842 519728460 /nfs/dbraw/zinc/72/84/60/519728460.db2.gz MGYZHVYOLGVWKX-UHFFFAOYSA-N -1 1 296.326 2.554 20 0 CFADMM CC(C)Oc1cncc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000340331740 519785534 /nfs/dbraw/zinc/78/55/34/519785534.db2.gz YTXPBBKSXHQINA-UHFFFAOYSA-N -1 1 290.294 2.966 20 0 CFADMM CC(C)c1nc(=NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)o[n-]1 ZINC000338485669 519858257 /nfs/dbraw/zinc/85/82/57/519858257.db2.gz VJYZTOKYHYQLFW-ZSBIGDGJSA-N -1 1 267.373 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2.550 20 0 CFADMM CC[C@H]1CCC[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000077509342 523119937 /nfs/dbraw/zinc/11/99/37/523119937.db2.gz UCYBZZJSMQMMGR-NWDGAFQWSA-N -1 1 299.374 2.622 20 0 CFADMM COCc1nc(=NC[C@@H]2CCC[C@H](C)[C@@H]2C)s[n-]1 ZINC000360265982 523165701 /nfs/dbraw/zinc/16/57/01/523165701.db2.gz JSBBSOXKDDMKHK-DCAQKATOSA-N -1 1 269.414 2.591 20 0 CFADMM CC[C@H]1CC[C@H](C(=O)Nc2ccc([O-])c(F)c2F)O1 ZINC000335019484 523198210 /nfs/dbraw/zinc/19/82/10/523198210.db2.gz YXTMHBRESITDLD-OIBJUYFYSA-N -1 1 271.263 2.567 20 0 CFADMM COC(=O)[C@H](CC(C)C)NCc1cccc([O-])c1Cl ZINC000328253779 523895565 /nfs/dbraw/zinc/89/55/65/523895565.db2.gz TWLCZYGLWOHUNI-NSHDSACASA-N -1 1 285.771 2.723 20 0 CFADMM Cc1ccc2oc([N-][C@H](C(N)=O)c3ccc(F)cc3)nc2c1 ZINC000361744291 524096802 /nfs/dbraw/zinc/09/68/02/524096802.db2.gz KPXMTIUWEMENLP-AWEZNQCLSA-N -1 1 299.305 2.914 20 0 CFADMM COc1ccc(F)c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000088279672 524292980 /nfs/dbraw/zinc/29/29/80/524292980.db2.gz 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/nfs/dbraw/zinc/71/39/43/525713943.db2.gz SJLFCPBDFKZOLC-MLUIRONXSA-N -1 1 270.210 2.950 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)CCC3CC3)[nH][n-]2)s1 ZINC000360409652 525716205 /nfs/dbraw/zinc/71/62/05/525716205.db2.gz WVAJIPKIGAUGRD-UHFFFAOYSA-N -1 1 275.377 2.997 20 0 CFADMM Cc1ccc([C@@H](C)NC(=O)c2ncccc2[O-])cc1 ZINC000049560356 525719630 /nfs/dbraw/zinc/71/96/30/525719630.db2.gz BAHOPCUSYWUKDH-LLVKDONJSA-N -1 1 256.305 2.587 20 0 CFADMM CS[C@@H](C)CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339931742 525792698 /nfs/dbraw/zinc/79/26/98/525792698.db2.gz MDYFWNMSGSOPMB-VIFPVBQESA-N -1 1 291.376 2.862 20 0 CFADMM Cc1c(NC(=O)c2cncc([O-])c2)cnn1CCC(C)C ZINC000339958356 525865449 /nfs/dbraw/zinc/86/54/49/525865449.db2.gz LRZAZYKSNVUECM-UHFFFAOYSA-N -1 1 288.351 2.591 20 0 CFADMM Cc1cn2cc(C(=O)Nc3ccc(F)cc3[O-])sc2n1 ZINC000340332064 525948924 /nfs/dbraw/zinc/94/89/24/525948924.db2.gz GGJCELIRNCRACV-UHFFFAOYSA-N -1 1 291.307 2.801 20 0 CFADMM C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000340327165 525952253 /nfs/dbraw/zinc/95/22/53/525952253.db2.gz BIRZZZABOKXZQY-SNVBAGLBSA-N -1 1 275.279 2.937 20 0 CFADMM Cc1cnc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000336400332 525969608 /nfs/dbraw/zinc/96/96/08/525969608.db2.gz XNIWBBOGSDCPGH-RYUDHWBXSA-N -1 1 260.337 2.500 20 0 CFADMM COc1cccc(Cl)c1CN1CCC[C@@H](C(=O)[O-])C1 ZINC000228804592 526097643 /nfs/dbraw/zinc/09/76/43/526097643.db2.gz HXMOULHKWJIGKC-SNVBAGLBSA-N -1 1 283.755 2.645 20 0 CFADMM O=C([O-])[C@@H]1CCCN1Cc1cccc(Cl)c1F ZINC000167034317 526275123 /nfs/dbraw/zinc/27/51/23/526275123.db2.gz DZRPSHOOMKTUEL-JTQLQIEISA-N -1 1 257.692 2.528 20 0 CFADMM O=C([O-])[C@@H]1CCN(Cc2csc(-c3ccccc3)n2)C1 ZINC000062134201 526279359 /nfs/dbraw/zinc/27/93/59/526279359.db2.gz MOSHJPIHIGCQJL-GFCCVEGCSA-N -1 1 288.372 2.717 20 0 CFADMM O=C([O-])[C@H]1CCCCN1Cc1cc2ccccc2o1 ZINC000086729467 526320516 /nfs/dbraw/zinc/32/05/16/526320516.db2.gz PJJKJCXEOSAABP-CYBMUJFWSA-N -1 1 259.305 2.872 20 0 CFADMM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3C(F)F)n2)cc1F 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O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CCCC1 ZINC000335309437 527134525 /nfs/dbraw/zinc/13/45/25/527134525.db2.gz GRVBKHHBZOTNGY-UHFFFAOYSA-N -1 1 271.320 2.911 20 0 CFADMM O=S(=O)([N-]CC1CC1)c1ccc(Cl)c(F)c1Cl ZINC000191868472 527213967 /nfs/dbraw/zinc/21/39/67/527213967.db2.gz DBKLQDRCAOKQJE-UHFFFAOYSA-N -1 1 298.166 2.821 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCCS1 ZINC000335018418 527236159 /nfs/dbraw/zinc/23/61/59/527236159.db2.gz OQFZUTRWBMPXQJ-QMMMGPOBSA-N -1 1 259.277 2.505 20 0 CFADMM O=C(Nc1ccncc1[O-])c1cccc(Cl)c1F ZINC000159734976 527458480 /nfs/dbraw/zinc/45/84/80/527458480.db2.gz YAORNVBJFKPKGZ-UHFFFAOYSA-N -1 1 266.659 2.832 20 0 CFADMM CC(C)CCNC(=O)c1ccc(Br)c([O-])c1 ZINC000132848031 527740450 /nfs/dbraw/zinc/74/04/50/527740450.db2.gz VWGKVFDCBSGFHE-UHFFFAOYSA-N -1 1 286.169 2.931 20 0 CFADMM CC(C)n1cc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cn1 ZINC000426818531 528566207 /nfs/dbraw/zinc/56/62/07/528566207.db2.gz FWEWXTDCPMAULZ-CQSZACIVSA-N -1 1 291.326 2.519 20 0 CFADMM CCC(O)(CC)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000174401548 528974339 /nfs/dbraw/zinc/97/43/39/528974339.db2.gz XQNKTXQHCMSMSX-UHFFFAOYSA-N -1 1 287.359 2.826 20 0 CFADMM COc1cc(C(=O)N[C@H](C)C(C)(F)F)cc(Cl)c1[O-] ZINC000452875093 536512796 /nfs/dbraw/zinc/51/27/96/536512796.db2.gz SCIWYVYRBTWKLU-ZCFIWIBFSA-N -1 1 293.697 2.828 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)C2CC(C)(C)C2)c1 ZINC000436684345 536791703 /nfs/dbraw/zinc/79/17/03/536791703.db2.gz YWYHZTRREQRKQK-UHFFFAOYSA-N -1 1 277.320 2.554 20 0 CFADMM CCc1cc([N-]C(=O)c2cc(COC(C)(C)C)on2)no1 ZINC000681192491 545548942 /nfs/dbraw/zinc/54/89/42/545548942.db2.gz YFIJCRCWJOYTMG-UHFFFAOYSA-N -1 1 293.323 2.792 20 0 CFADMM O=C(Nc1c([O-])cccc1F)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000935099422 649875103 /nfs/dbraw/zinc/87/51/03/649875103.db2.gz JBODNGIVZUHKBS-QZERSUKASA-N -1 1 261.296 2.762 20 0 CFADMM C[C@@H](CN(C)[C@@H](C)c1nnc(-c2cccs2)o1)C(=O)[O-] ZINC000736573378 574061142 /nfs/dbraw/zinc/06/11/42/574061142.db2.gz UUFYMDQBQFUVAE-IUCAKERBSA-N -1 1 295.364 2.512 20 0 CFADMM CCCN(C)CC(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000737008213 574096789 /nfs/dbraw/zinc/09/67/89/574096789.db2.gz WWEVYDCYJNHPDC-UHFFFAOYSA-N -1 1 292.379 2.789 20 0 CFADMM CCCN1Cc2cccc(N[C@@H](CC)C(=O)[O-])c2C1 ZINC000737029616 574098636 /nfs/dbraw/zinc/09/86/36/574098636.db2.gz CAYGNRRBHXYHOP-ZDUSSCGKSA-N -1 1 262.353 2.687 20 0 CFADMM CCc1n[nH]c(S[C@@H](C(=O)[O-])c2cccc(Cl)c2)n1 ZINC000737286894 574133927 /nfs/dbraw/zinc/13/39/27/574133927.db2.gz BEBVNVKYFCUJFQ-SNVBAGLBSA-N -1 1 297.767 2.939 20 0 CFADMM CCc1nc(S[C@@H](C(=O)[O-])c2cccc(Cl)c2)n[nH]1 ZINC000737286894 574133929 /nfs/dbraw/zinc/13/39/29/574133929.db2.gz BEBVNVKYFCUJFQ-SNVBAGLBSA-N -1 1 297.767 2.939 20 0 CFADMM O=C(NCCCc1nccs1)c1c([O-])cccc1Cl ZINC000728968473 574142421 /nfs/dbraw/zinc/14/24/21/574142421.db2.gz ZTLDKEJFPNBUDT-UHFFFAOYSA-N -1 1 296.779 2.865 20 0 CFADMM Cc1n[n-]cc1S(=O)(=O)Oc1cc(C(C)C)ccc1C ZINC000732215618 574147492 /nfs/dbraw/zinc/14/74/92/574147492.db2.gz TXORXXFNGAXPCX-UHFFFAOYSA-N -1 1 294.376 2.918 20 0 CFADMM CCOc1ccccc1CN1CCC(N(C)C(=O)[O-])CC1 ZINC000737886917 574154121 /nfs/dbraw/zinc/15/41/21/574154121.db2.gz QPZLWEUUUXYCKB-UHFFFAOYSA-N -1 1 292.379 2.660 20 0 CFADMM CN(CCCCC(=O)[O-])Cc1ccn(-c2ccccc2)n1 ZINC000737989958 574155918 /nfs/dbraw/zinc/15/59/18/574155918.db2.gz DCIMOUJAYVLYGQ-UHFFFAOYSA-N -1 1 287.363 2.559 20 0 CFADMM CCc1cc(CNC(=O)C(F)(F)c2ccc(F)cc2)n[nH]1 ZINC000732793630 574171833 /nfs/dbraw/zinc/17/18/33/574171833.db2.gz UBGQHPASIJAZCX-UHFFFAOYSA-N -1 1 297.280 2.519 20 0 CFADMM O=C([O-])CCCCSc1nc(-c2ccccc2F)n[nH]1 ZINC000738576005 574179328 /nfs/dbraw/zinc/17/93/28/574179328.db2.gz RHCXLHZPNJPMJE-UHFFFAOYSA-N -1 1 295.339 2.958 20 0 CFADMM O=C([O-])Nc1ccc(OC(=O)c2cnc3[nH]cccc2-3)cc1 ZINC000738671016 574179803 /nfs/dbraw/zinc/17/98/03/574179803.db2.gz YUPGGMGYIGBFDC-UHFFFAOYSA-N -1 1 297.270 2.872 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H]1CC=CCC1 ZINC000747212330 574187571 /nfs/dbraw/zinc/18/75/71/574187571.db2.gz MPTPTKPRUQLGSX-LBPRGKRZSA-N -1 1 289.379 2.700 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CC=CCC1 ZINC000747212329 574187614 /nfs/dbraw/zinc/18/76/14/574187614.db2.gz MPTPTKPRUQLGSX-GFCCVEGCSA-N -1 1 289.379 2.700 20 0 CFADMM CC(C)Oc1ccccc1CN(C)[C@@H](C)CNC(=O)[O-] ZINC000738867277 574188446 /nfs/dbraw/zinc/18/84/46/574188446.db2.gz FXGOZKQJBJQNPD-LBPRGKRZSA-N -1 1 280.368 2.562 20 0 CFADMM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1Cc1ccccc1F ZINC000739004282 574192983 /nfs/dbraw/zinc/19/29/83/574192983.db2.gz UVIWGDJNGZCKMZ-FZMZJTMJSA-N -1 1 280.343 2.836 20 0 CFADMM C[C@H](NCCNC(=O)[O-])c1cccc(Cl)c1Cl ZINC000739034365 574194284 /nfs/dbraw/zinc/19/42/84/574194284.db2.gz MCLRQTOMBAOFMH-ZETCQYMHSA-N -1 1 277.151 2.912 20 0 CFADMM C[C@@H](c1cc(F)ccc1F)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739054193 574194939 /nfs/dbraw/zinc/19/49/39/574194939.db2.gz QDQYCJUXXAJGAT-VHSXEESVSA-N -1 1 284.306 2.615 20 0 CFADMM C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739059751 574195781 /nfs/dbraw/zinc/19/57/81/574195781.db2.gz VXPWOYKJCLWVAD-UWVGGRQHSA-N -1 1 284.306 2.615 20 0 CFADMM C[C@@H](c1ccccc1F)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739060167 574196038 /nfs/dbraw/zinc/19/60/38/574196038.db2.gz NNNNTBAAHKNEBC-NWDGAFQWSA-N -1 1 280.343 2.961 20 0 CFADMM O=C([O-])C[C@@H]1CCCCN1Cc1ccc(Cl)nc1 ZINC000739638940 574221695 /nfs/dbraw/zinc/22/16/95/574221695.db2.gz GURNWDXTBZLFMB-NSHDSACASA-N -1 1 268.744 2.564 20 0 CFADMM CN(Cc1ccc(F)cc1F)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739709298 574223676 /nfs/dbraw/zinc/22/36/76/574223676.db2.gz FNGNGKNKQUAMFA-NSHDSACASA-N -1 1 298.333 2.787 20 0 CFADMM O=C([O-])[C@@H](NCc1ccc(Cl)nc1)c1cccc(F)c1 ZINC000756337414 574225864 /nfs/dbraw/zinc/22/58/64/574225864.db2.gz FNLBJIIWFULEQQ-ZDUSSCGKSA-N -1 1 294.713 2.790 20 0 CFADMM O=C(OCCCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000733490810 574241830 /nfs/dbraw/zinc/24/18/30/574241830.db2.gz XMLMYPDAACDEIZ-UHFFFAOYSA-N -1 1 279.119 2.628 20 0 CFADMM O=C([O-])NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000740611181 574258047 /nfs/dbraw/zinc/25/80/47/574258047.db2.gz CSKWHTDFGYLEFW-GFCCVEGCSA-N -1 1 268.744 2.745 20 0 CFADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)C1CCC1 ZINC000756810340 574264528 /nfs/dbraw/zinc/26/45/28/574264528.db2.gz VZHKYRJNTBTFCK-QMMMGPOBSA-N -1 1 253.729 2.964 20 0 CFADMM Cc1nc(-c2ccc(NC(=O)C3=C([O-])C(C)N=N3)cc2)co1 ZINC000749207640 574284881 /nfs/dbraw/zinc/28/48/81/574284881.db2.gz JVZJEFFUOVFLLA-UHFFFAOYSA-N -1 1 298.302 2.639 20 0 CFADMM O=C(OCCC(F)(F)F)c1c([O-])cc(F)cc1F ZINC000749277373 574287449 /nfs/dbraw/zinc/28/74/49/574287449.db2.gz BSVUYSHHRZYJDL-UHFFFAOYSA-N -1 1 270.153 2.780 20 0 CFADMM Cc1cccc2c1OCC[C@H]2[N-]C(=O)C(F)(F)C(F)F ZINC000749364255 574291173 /nfs/dbraw/zinc/29/11/73/574291173.db2.gz JWMCESOLINAFPN-SECBINFHSA-N -1 1 291.244 2.835 20 0 CFADMM Cc1ccsc1S(=O)(=O)[N-]c1cccnc1Cl ZINC000741648577 574297761 /nfs/dbraw/zinc/29/77/61/574297761.db2.gz NXCJEXCOUDFWQG-UHFFFAOYSA-N -1 1 288.781 2.906 20 0 CFADMM COC1CCC(CNC(=O)c2c([O-])cccc2Cl)CC1 ZINC000750249323 574331934 /nfs/dbraw/zinc/33/19/34/574331934.db2.gz FCUKXJYQEFKDSZ-UHFFFAOYSA-N -1 1 297.782 2.981 20 0 CFADMM CC(C)[C@@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000735752292 574335089 /nfs/dbraw/zinc/33/50/89/574335089.db2.gz ZPLWFXFLUOAAGD-JTQLQIEISA-N -1 1 292.774 2.540 20 0 CFADMM CC(C)[C@@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000735752292 574335092 /nfs/dbraw/zinc/33/50/92/574335092.db2.gz ZPLWFXFLUOAAGD-JTQLQIEISA-N -1 1 292.774 2.540 20 0 CFADMM CC(C)CCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000735811636 574335573 /nfs/dbraw/zinc/33/55/73/574335573.db2.gz OLCWDRNUADEYDL-UHFFFAOYSA-N -1 1 282.351 2.873 20 0 CFADMM CC(C)CCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000735811636 574335575 /nfs/dbraw/zinc/33/55/75/574335575.db2.gz OLCWDRNUADEYDL-UHFFFAOYSA-N -1 1 282.351 2.873 20 0 CFADMM C[C@H](c1ccccc1F)[N@@H+](C)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739057573 574338074 /nfs/dbraw/zinc/33/80/74/574338074.db2.gz DAVVYTQBGGPNGD-VXGBXAGGSA-N -1 1 280.343 2.818 20 0 CFADMM C[C@H](c1ccc(F)cc1F)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739060289 574339813 /nfs/dbraw/zinc/33/98/13/574339813.db2.gz YAUCSQKNLIJOHB-GHMZBOCLSA-N -1 1 298.333 2.958 20 0 CFADMM C[C@H]1CCC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736247913 574357533 /nfs/dbraw/zinc/35/75/33/574357533.db2.gz BHPUURHDGBKRGM-DTWKUNHWSA-N -1 1 292.774 2.906 20 0 CFADMM C[C@H]1CCC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736247913 574357534 /nfs/dbraw/zinc/35/75/34/574357534.db2.gz BHPUURHDGBKRGM-DTWKUNHWSA-N -1 1 292.774 2.906 20 0 CFADMM C[C@@H]1CCCC[C@@H]1CCNc1cccc(-c2nnn[n-]2)n1 ZINC000736273908 574358964 /nfs/dbraw/zinc/35/89/64/574358964.db2.gz SWQMRRAJXPQTJJ-VXGBXAGGSA-N -1 1 286.383 2.890 20 0 CFADMM C[C@@H]1CCCC[C@@H]1CCNc1cccc(-c2nn[n-]n2)n1 ZINC000736273908 574358967 /nfs/dbraw/zinc/35/89/67/574358967.db2.gz SWQMRRAJXPQTJJ-VXGBXAGGSA-N -1 1 286.383 2.890 20 0 CFADMM O=C(Nc1c([O-])cccc1F)c1cc(=O)c2ccccc2o1 ZINC000743417411 574363003 /nfs/dbraw/zinc/36/30/03/574363003.db2.gz XQFKHJKFUJAIEN-UHFFFAOYSA-N -1 1 299.257 2.890 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CCC2(C1)CCOCC2 ZINC000743815134 574372800 /nfs/dbraw/zinc/37/28/00/574372800.db2.gz CSBDHRJYWTWCIG-UHFFFAOYSA-N -1 1 295.766 2.688 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC1C(C)(C)C1(C)C ZINC000752724821 574394022 /nfs/dbraw/zinc/39/40/22/574394022.db2.gz CCKMHKOOJUUDSP-UHFFFAOYSA-N -1 1 291.395 2.778 20 0 CFADMM c1cc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)nc(-c2nnn[n-]2)c1 ZINC000823757017 599056610 /nfs/dbraw/zinc/05/66/10/599056610.db2.gz JITXSIBIQPJHRI-SDDRHHMPSA-N -1 1 284.367 2.642 20 0 CFADMM c1cc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)nc(-c2nn[n-]n2)c1 ZINC000823757017 599056613 /nfs/dbraw/zinc/05/66/13/599056613.db2.gz JITXSIBIQPJHRI-SDDRHHMPSA-N -1 1 284.367 2.642 20 0 CFADMM O=C([O-])N(CC1CC1)C1CCN(C/C=C\Cl)CC1 ZINC000831826955 603452710 /nfs/dbraw/zinc/45/27/10/603452710.db2.gz WXWMCZHCZLNKIE-BHQIHCQQSA-N -1 1 272.776 2.593 20 0 CFADMM Cc1ncc([C@H](C)NCc2ccc(C(=O)[O-])cc2)c(C)n1 ZINC000819008792 597244903 /nfs/dbraw/zinc/24/49/03/597244903.db2.gz IABQTUFENBIYNV-JTQLQIEISA-N -1 1 285.347 2.642 20 0 CFADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1F ZINC000822254674 607308398 /nfs/dbraw/zinc/30/83/98/607308398.db2.gz OMQMGXCEXPPTOK-UHFFFAOYSA-N -1 1 289.339 2.988 20 0 CFADMM Cc1ccc(F)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000822240944 607310780 /nfs/dbraw/zinc/31/07/80/607310780.db2.gz FZBGVKXYYLHRAG-UHFFFAOYSA-N -1 1 273.271 2.519 20 0 CFADMM Cc1ccc(F)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000822240944 607310781 /nfs/dbraw/zinc/31/07/81/607310781.db2.gz FZBGVKXYYLHRAG-UHFFFAOYSA-N -1 1 273.271 2.519 20 0 CFADMM O=C([O-])CCCSc1nc(-c2ccccc2F)n[nH]1 ZINC000821525205 597747113 /nfs/dbraw/zinc/74/71/13/597747113.db2.gz YAWBENCKHQVOED-UHFFFAOYSA-N -1 1 281.312 2.568 20 0 CFADMM CCCCn1nc(C)c(CN2CC[C@@H](C(=O)[O-])C2)c1Cl ZINC000820317292 598129313 /nfs/dbraw/zinc/12/93/13/598129313.db2.gz XEUWMVPGOQDMMU-LLVKDONJSA-N -1 1 299.802 2.552 20 0 CFADMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cn1 ZINC000820142232 598160611 /nfs/dbraw/zinc/16/06/11/598160611.db2.gz QPKARLUKIBIBOU-JTQLQIEISA-N -1 1 274.295 2.770 20 0 CFADMM CC(C)(/C=C/Cl)NC(=O)c1ccc([O-])c(F)c1 ZINC000928929843 620071412 /nfs/dbraw/zinc/07/14/12/620071412.db2.gz METAWSJHFQNYNX-AATRIKPKSA-N -1 1 257.692 2.792 20 0 CFADMM CC(C)(C)C[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000819907516 599505462 /nfs/dbraw/zinc/50/54/62/599505462.db2.gz PIYHJMPDRSIUJE-NSHDSACASA-N -1 1 286.383 2.667 20 0 CFADMM CC(C)(C)C[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000819907516 599505465 /nfs/dbraw/zinc/50/54/65/599505465.db2.gz PIYHJMPDRSIUJE-NSHDSACASA-N -1 1 286.383 2.667 20 0 CFADMM Cc1ccc(CNCc2ccc(C(=O)[O-])o2)cc1C ZINC000738601947 600525385 /nfs/dbraw/zinc/52/53/85/600525385.db2.gz GOGORSCJYIBODL-UHFFFAOYSA-N -1 1 259.305 2.884 20 0 CFADMM CCCC[C@H](Sc1nc(-c2cccnc2)n[nH]1)C(=O)[O-] ZINC000829296514 600837031 /nfs/dbraw/zinc/83/70/31/600837031.db2.gz UOAMSTFSHRQJQU-JTQLQIEISA-N -1 1 292.364 2.602 20 0 CFADMM Cc1[nH]c(C(=O)CN2C[C@H](C)CC[C@@H]2C)c(C)c1C(=O)[O-] ZINC000832843827 601051765 /nfs/dbraw/zinc/05/17/65/601051765.db2.gz HKRXLHAOLDNUPK-ZJUUUORDSA-N -1 1 292.379 2.633 20 0 CFADMM C/C(=C/CN1CCC[C@@H]1c1nc(C)cs1)C(=O)[O-] ZINC000825741803 601160877 /nfs/dbraw/zinc/16/08/77/601160877.db2.gz SMRMWIYIEFRFTD-YOOZJCNJSA-N -1 1 266.366 2.619 20 0 CFADMM O=C([O-])c1occc1CN1CC[C@@H]1c1ccccc1 ZINC000833345534 601170344 /nfs/dbraw/zinc/17/03/44/601170344.db2.gz CZSRCBCUTDBREU-CYBMUJFWSA-N -1 1 257.289 2.925 20 0 CFADMM CC[C@@H](C)CN(CC)CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000828746713 601181057 /nfs/dbraw/zinc/18/10/57/601181057.db2.gz IQFXAJFXQBTQRH-SNVBAGLBSA-N -1 1 294.395 2.880 20 0 CFADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H]1C ZINC000832916644 601429482 /nfs/dbraw/zinc/42/94/82/601429482.db2.gz MOENYALOPKJRHP-VXGBXAGGSA-N -1 1 290.363 2.505 20 0 CFADMM CC[C@H](C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)N(CC)CC ZINC000828603560 601466591 /nfs/dbraw/zinc/46/65/91/601466591.db2.gz MBWKSEUIYRZUSE-WDEREUQCSA-N -1 1 297.351 2.702 20 0 CFADMM C[C@@H]1CN(Cc2nc(C(C)(C)C)cs2)C[C@@H]1C(=O)[O-] ZINC000094969469 601514932 /nfs/dbraw/zinc/51/49/32/601514932.db2.gz OQPZICSSKBFJEJ-ZJUUUORDSA-N -1 1 282.409 2.593 20 0 CFADMM C[C@@H]1CN(Cc2c(F)cccc2Cl)C[C@H]1C(=O)[O-] ZINC000235340292 601520494 /nfs/dbraw/zinc/52/04/94/601520494.db2.gz KGDDHFBNMFWIEO-RKDXNWHRSA-N -1 1 271.719 2.632 20 0 CFADMM C[C@@H]1CN(Cc2csc(-c3ccco3)n2)C[C@@H]1C(=O)[O-] ZINC000111255251 601533276 /nfs/dbraw/zinc/53/32/76/601533276.db2.gz UJZCVRFMTALLEV-KOLCDFICSA-N -1 1 292.360 2.556 20 0 CFADMM CC(C)(C)c1nnc(CNC2(CC(=O)[O-])CCCCC2)o1 ZINC000826528231 601553732 /nfs/dbraw/zinc/55/37/32/601553732.db2.gz PXDKTSFUJHQDQG-UHFFFAOYSA-N -1 1 295.383 2.634 20 0 CFADMM C[C@H](NCC(C)(C)C(=O)[O-])c1ncc(C(C)(C)C)o1 ZINC000827735013 601646092 /nfs/dbraw/zinc/64/60/92/601646092.db2.gz OIALTUXDVUBNQG-VIFPVBQESA-N -1 1 268.357 2.734 20 0 CFADMM CC[C@@](C)(NCc1c[nH]c(C(=O)[O-])c1)c1nc(C)cs1 ZINC000828692165 601834389 /nfs/dbraw/zinc/83/43/89/601834389.db2.gz GICOXSYUHYAPBL-CQSZACIVSA-N -1 1 293.392 2.893 20 0 CFADMM O=C([O-])c1cc(CN[C@H]2COc3c2cccc3Cl)c[nH]1 ZINC000833296591 601880684 /nfs/dbraw/zinc/88/06/84/601880684.db2.gz KCISFXKHXUPXGS-LBPRGKRZSA-N -1 1 292.722 2.590 20 0 CFADMM O=C([O-])[C@@H](NCc1ccc(F)cn1)c1cccc(Cl)c1 ZINC000833164563 601980972 /nfs/dbraw/zinc/98/09/72/601980972.db2.gz BDNAGPHZNPVNBS-ZDUSSCGKSA-N -1 1 294.713 2.790 20 0 CFADMM O=C([O-])N(CC1CC1)C1CCN(C/C=C/Cl)CC1 ZINC000831826963 603452704 /nfs/dbraw/zinc/45/27/04/603452704.db2.gz WXWMCZHCZLNKIE-LZCJLJQNSA-N -1 1 272.776 2.593 20 0 CFADMM CCOc1cccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000900288678 620658265 /nfs/dbraw/zinc/65/82/65/620658265.db2.gz SGNMLVOVHADGKF-UHFFFAOYSA-N -1 1 299.330 2.711 20 0 CFADMM CC(C)(C)c1nc(CNCC(C)(C)NC(=O)[O-])cs1 ZINC000824011087 603576873 /nfs/dbraw/zinc/57/68/73/603576873.db2.gz BXTRTAARAOVJOG-UHFFFAOYSA-N -1 1 285.413 2.576 20 0 CFADMM CC1(NC(=O)c2cnc(C3CC3)[n-]c2=O)CCCCC1 ZINC000900323771 620662001 /nfs/dbraw/zinc/66/20/01/620662001.db2.gz SZZVBCPSQHTYDH-UHFFFAOYSA-N -1 1 275.352 2.512 20 0 CFADMM O=C([O-])NC[C@H]1CCCN1CCSc1ccccc1F ZINC000832573367 604074729 /nfs/dbraw/zinc/07/47/29/604074729.db2.gz NOOMLQVITXBETQ-LLVKDONJSA-N -1 1 298.383 2.650 20 0 CFADMM C[C@@H](N[C@@H]1CCCCN(C(=O)[O-])C1)c1cccnc1Cl ZINC000825478164 604320686 /nfs/dbraw/zinc/32/06/86/604320686.db2.gz FKAACKLSTGKGII-GHMZBOCLSA-N -1 1 297.786 2.918 20 0 CFADMM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1c(F)cccc1F ZINC000825480085 604328825 /nfs/dbraw/zinc/32/88/25/604328825.db2.gz SOYUVZPZRFCUMJ-ZJUUUORDSA-N -1 1 284.306 2.758 20 0 CFADMM O=C([O-])c1sccc1CN1CCOC2(CCCC2)C1 ZINC000833348958 604366396 /nfs/dbraw/zinc/36/63/96/604366396.db2.gz WPJMRWVLMXAWCT-UHFFFAOYSA-N -1 1 281.377 2.591 20 0 CFADMM O=C([O-])C[C@@H]1CCCN1c1ccnc2cc(F)ccc21 ZINC000833211094 604472308 /nfs/dbraw/zinc/47/23/08/604472308.db2.gz BIVMVFLCUXSHOP-NSHDSACASA-N -1 1 274.295 2.817 20 0 CFADMM C[C@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccco1 ZINC000825501109 604941608 /nfs/dbraw/zinc/94/16/08/604941608.db2.gz BTJSRIUSGUIQDU-LBPRGKRZSA-N -1 1 288.347 2.941 20 0 CFADMM C[C@H](NCCN(C(=O)[O-])C1CC1)c1cccnc1Cl ZINC000825496967 604960506 /nfs/dbraw/zinc/96/05/06/604960506.db2.gz XQGIYWKLLFHFHH-VIFPVBQESA-N -1 1 283.759 2.528 20 0 CFADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])[nH]2)[C@H]1c1ccccc1 ZINC000833629816 605110550 /nfs/dbraw/zinc/11/05/50/605110550.db2.gz MRYZLQKPKHJCIF-IAQYHMDHSA-N -1 1 270.332 2.906 20 0 CFADMM C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(C(=O)[O-])[nH]2)o1 ZINC000833602785 605115003 /nfs/dbraw/zinc/11/50/03/605115003.db2.gz BPFWJSITYMBASX-CABZTGNLSA-N -1 1 274.320 2.719 20 0 CFADMM CCC[C@H](C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)N(C)C ZINC000833648290 605145927 /nfs/dbraw/zinc/14/59/27/605145927.db2.gz RBPUTANXCNQOHC-GFCCVEGCSA-N -1 1 297.330 2.584 20 0 CFADMM C[C@H]1CC[C@@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)C1 ZINC000833606493 605154177 /nfs/dbraw/zinc/15/41/77/605154177.db2.gz QIKHQWSFHJGOPR-DTWKUNHWSA-N -1 1 287.319 2.636 20 0 CFADMM CC1=C(C(=O)[O-])C[C@@H](CN2Cc3ccccc3[C@@H]2C)O1 ZINC000833580100 605346247 /nfs/dbraw/zinc/34/62/47/605346247.db2.gz PJCVDCUGSCTAMJ-GWCFXTLKSA-N -1 1 273.332 2.711 20 0 CFADMM C[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2)C[C@@H]1F ZINC000833615960 605391014 /nfs/dbraw/zinc/39/10/14/605391014.db2.gz OAZRKBWXNYELRW-MFKMUULPSA-N -1 1 251.301 2.565 20 0 CFADMM CCc1ncc(CN2CCC[C@H](CN(C)C(=O)[O-])C2)s1 ZINC000833866590 605535635 /nfs/dbraw/zinc/53/56/35/605535635.db2.gz MRAKIKURLUGKBN-LLVKDONJSA-N -1 1 297.424 2.527 20 0 CFADMM O=C([O-])Nc1ccc(CN2CCC(C(F)F)CC2)cn1 ZINC000834258064 605607461 /nfs/dbraw/zinc/60/74/61/605607461.db2.gz ANAFFXHYFTXDAQ-UHFFFAOYSA-N -1 1 285.294 2.649 20 0 CFADMM CC[C@@]1(C)COCCN1Cc1cccc(NC(=O)[O-])c1 ZINC000833847701 605618744 /nfs/dbraw/zinc/61/87/44/605618744.db2.gz ZINFYFWSTAHWPJ-HNNXBMFYSA-N -1 1 278.352 2.777 20 0 CFADMM O=C([O-])N[C@@H]1C[C@@H](NCc2cccc(O)c2)c2ccccc21 ZINC000834159514 605798057 /nfs/dbraw/zinc/79/80/57/605798057.db2.gz UMNNFXFTEQIWRC-HZPDHXFCSA-N -1 1 298.342 2.936 20 0 CFADMM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2F)C[C@@H](C)S1 ZINC000231028277 605834140 /nfs/dbraw/zinc/83/41/40/605834140.db2.gz MLQUGBYFPYTNGS-NXEZZACHSA-N -1 1 283.368 2.850 20 0 CFADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](OC(F)F)C1 ZINC000833547121 605856056 /nfs/dbraw/zinc/85/60/56/605856056.db2.gz QBRINUFTTUNBKF-BDAKNGLRSA-N -1 1 289.278 2.742 20 0 CFADMM O=C([O-])Nc1cccc(CN[C@H](CO)c2ccccc2)c1 ZINC000834269636 605933764 /nfs/dbraw/zinc/93/37/64/605933764.db2.gz KGOZVPPTRRGGHR-OAHLLOKOSA-N -1 1 286.331 2.600 20 0 CFADMM Cc1nc(C(C)C)sc1[C@@H](C)N(C)CCNC(=O)[O-] ZINC000833913190 606095523 /nfs/dbraw/zinc/09/55/23/606095523.db2.gz UVEAYYGXFUYIGL-SNVBAGLBSA-N -1 1 285.413 2.835 20 0 CFADMM CC1(C)CCC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820589533 606104819 /nfs/dbraw/zinc/10/48/19/606104819.db2.gz HNEIZTUXFODRIX-SECBINFHSA-N -1 1 292.774 2.906 20 0 CFADMM CC1(C)CCC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820589533 606104821 /nfs/dbraw/zinc/10/48/21/606104821.db2.gz HNEIZTUXFODRIX-SECBINFHSA-N -1 1 292.774 2.906 20 0 CFADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@@H]1C ZINC000820769300 606417980 /nfs/dbraw/zinc/41/79/80/606417980.db2.gz SCFHIFLVPGNGIM-QWRGUYRKSA-N -1 1 294.362 2.507 20 0 CFADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@@H]1C ZINC000820769300 606417982 /nfs/dbraw/zinc/41/79/82/606417982.db2.gz SCFHIFLVPGNGIM-QWRGUYRKSA-N -1 1 294.362 2.507 20 0 CFADMM CC[C@H](C)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820876829 606438055 /nfs/dbraw/zinc/43/80/55/606438055.db2.gz USBBOOKDPAJNJK-VIFPVBQESA-N -1 1 268.324 2.625 20 0 CFADMM CC[C@H](C)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820876829 606438057 /nfs/dbraw/zinc/43/80/57/606438057.db2.gz USBBOOKDPAJNJK-VIFPVBQESA-N -1 1 268.324 2.625 20 0 CFADMM C[C@@H]1CCC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820696561 606488567 /nfs/dbraw/zinc/48/85/67/606488567.db2.gz AUEGSRAIRKIDRT-RKDXNWHRSA-N -1 1 292.364 2.664 20 0 CFADMM C[C@@H]1CCC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820696561 606488568 /nfs/dbraw/zinc/48/85/68/606488568.db2.gz AUEGSRAIRKIDRT-RKDXNWHRSA-N -1 1 292.364 2.664 20 0 CFADMM CCC[C@H](CC)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000821015032 607091961 /nfs/dbraw/zinc/09/19/61/607091961.db2.gz MZCPVDRZGRQGRB-QMMMGPOBSA-N -1 1 280.353 2.664 20 0 CFADMM Fc1ccc(COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826374607 607863857 /nfs/dbraw/zinc/86/38/57/607863857.db2.gz FPJFALCIANFBNP-UHFFFAOYSA-N -1 1 288.257 2.724 20 0 CFADMM Fc1ccc(COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826374607 607863858 /nfs/dbraw/zinc/86/38/58/607863858.db2.gz FPJFALCIANFBNP-UHFFFAOYSA-N -1 1 288.257 2.724 20 0 CFADMM Fc1ccc(Oc2cccc(-c3nnn[n-]3)n2)c(Cl)c1 ZINC000095163570 607894202 /nfs/dbraw/zinc/89/42/02/607894202.db2.gz HWVLMWARZYSCNE-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM Fc1ccc(Oc2cccc(-c3nn[n-]n3)n2)c(Cl)c1 ZINC000095163570 607894203 /nfs/dbraw/zinc/89/42/03/607894203.db2.gz HWVLMWARZYSCNE-UHFFFAOYSA-N -1 1 291.673 2.847 20 0 CFADMM Cc1cc2cc(Nc3cccc(-c4nnn[n-]4)n3)ccc2[nH]1 ZINC000826273212 607896554 /nfs/dbraw/zinc/89/65/54/607896554.db2.gz UNAMZQTUTICMHD-UHFFFAOYSA-N -1 1 291.318 2.795 20 0 CFADMM Cc1cc2cc(Nc3cccc(-c4nn[n-]n4)n3)ccc2[nH]1 ZINC000826273212 607896555 /nfs/dbraw/zinc/89/65/55/607896555.db2.gz UNAMZQTUTICMHD-UHFFFAOYSA-N -1 1 291.318 2.795 20 0 CFADMM c1coc([C@@H]2CCCCN2c2cccc(-c3nnn[n-]3)n2)c1 ZINC000826514666 607900215 /nfs/dbraw/zinc/90/02/15/607900215.db2.gz YVVQXEUBKWNZRU-LBPRGKRZSA-N -1 1 296.334 2.586 20 0 CFADMM c1coc([C@@H]2CCCCN2c2cccc(-c3nn[n-]n3)n2)c1 ZINC000826514666 607900216 /nfs/dbraw/zinc/90/02/16/607900216.db2.gz YVVQXEUBKWNZRU-LBPRGKRZSA-N -1 1 296.334 2.586 20 0 CFADMM CC(C)c1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824347979 607987643 /nfs/dbraw/zinc/98/76/43/607987643.db2.gz VNNYLBZNFVSUCL-UHFFFAOYSA-N -1 1 281.323 2.524 20 0 CFADMM CC(C)c1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824347979 607987644 /nfs/dbraw/zinc/98/76/44/607987644.db2.gz VNNYLBZNFVSUCL-UHFFFAOYSA-N -1 1 281.323 2.524 20 0 CFADMM c1cc2cccc(Nc3ccc(-c4nnn[n-]4)nn3)c2s1 ZINC000826517267 608438320 /nfs/dbraw/zinc/43/83/20/608438320.db2.gz WPVGXAJABYUKQK-UHFFFAOYSA-N -1 1 295.331 2.615 20 0 CFADMM c1cc2cccc(Nc3ccc(-c4nn[n-]n4)nn3)c2s1 ZINC000826517267 608438322 /nfs/dbraw/zinc/43/83/22/608438322.db2.gz WPVGXAJABYUKQK-UHFFFAOYSA-N -1 1 295.331 2.615 20 0 CFADMM CC1(C)CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824804077 608555906 /nfs/dbraw/zinc/55/59/06/608555906.db2.gz ZYTGUWXWBYIWLE-LURJTMIESA-N -1 1 298.803 2.967 20 0 CFADMM CC1(C)CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824804077 608555907 /nfs/dbraw/zinc/55/59/07/608555907.db2.gz ZYTGUWXWBYIWLE-LURJTMIESA-N -1 1 298.803 2.967 20 0 CFADMM Cc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)o2)cc1C ZINC000826289725 609174254 /nfs/dbraw/zinc/17/42/54/609174254.db2.gz KVLOTRDGHZLJDK-UHFFFAOYSA-N -1 1 283.335 2.713 20 0 CFADMM Cc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)o2)cc1C ZINC000826289725 609174256 /nfs/dbraw/zinc/17/42/56/609174256.db2.gz KVLOTRDGHZLJDK-UHFFFAOYSA-N -1 1 283.335 2.713 20 0 CFADMM CC(C)(C)CCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900791087 620714516 /nfs/dbraw/zinc/71/45/16/620714516.db2.gz AGYXAOIINTXVGG-UHFFFAOYSA-N -1 1 277.368 2.616 20 0 CFADMM Cc1ccoc1CN(C)Cc1cccc(C(=O)[O-])c1 ZINC000261594858 617623317 /nfs/dbraw/zinc/62/33/17/617623317.db2.gz NSQKJCRVHDFYNW-UHFFFAOYSA-N -1 1 259.305 2.918 20 0 CFADMM O=C([N-]c1ccnc(Cl)c1F)c1cc(C2CC2)no1 ZINC000891509047 617642295 /nfs/dbraw/zinc/64/22/95/617642295.db2.gz GPMQQMOUQLFUMC-UHFFFAOYSA-N -1 1 281.674 2.992 20 0 CFADMM Cc1ccnc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)c1 ZINC000178181058 617672683 /nfs/dbraw/zinc/67/26/83/617672683.db2.gz LPQLKBVNIYNKFY-VQHVLOKHSA-N -1 1 292.335 2.942 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC(C)(C)C[C@H]1C ZINC000840531802 617678878 /nfs/dbraw/zinc/67/88/78/617678878.db2.gz REEOSNCQDGFRKA-SNVBAGLBSA-N -1 1 291.395 2.875 20 0 CFADMM CC(=Cc1ccco1)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615898 617686342 /nfs/dbraw/zinc/68/63/42/617686342.db2.gz WPRVHMQMQKLHTH-MDZDMXLPSA-N -1 1 299.330 2.696 20 0 CFADMM CSCCCCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891621471 617689524 /nfs/dbraw/zinc/68/95/24/617689524.db2.gz HGZBORGYOAYPCR-UHFFFAOYSA-N -1 1 295.408 2.533 20 0 CFADMM CCCCSCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891625116 617690077 /nfs/dbraw/zinc/69/00/77/617690077.db2.gz GASJHQDSULKSBH-UHFFFAOYSA-N -1 1 295.408 2.533 20 0 CFADMM Cc1ccc(C)c(OS(=O)(=O)c2cnc(C(C)C)[n-]2)c1 ZINC000080717915 617791581 /nfs/dbraw/zinc/79/15/81/617791581.db2.gz MFHVYIBFUBEQBP-UHFFFAOYSA-N -1 1 294.376 2.918 20 0 CFADMM Cc1ccc(C)c(OS(=O)(=O)c2c[n-]c(C(C)C)n2)c1 ZINC000080717915 617791582 /nfs/dbraw/zinc/79/15/82/617791582.db2.gz MFHVYIBFUBEQBP-UHFFFAOYSA-N -1 1 294.376 2.918 20 0 CFADMM COCc1nc(N2CCC[C@H]2c2ccccc2C)cc(=O)[n-]1 ZINC000891905617 617817402 /nfs/dbraw/zinc/81/74/02/617817402.db2.gz CCRSOOOHTRPZMV-AWEZNQCLSA-N -1 1 299.374 2.979 20 0 CFADMM C[C@H](O)c1cc(NC(=O)c2ccc([O-])cc2F)ccc1F ZINC000804797965 617886556 /nfs/dbraw/zinc/88/65/56/617886556.db2.gz OJZJZIAACUKMQA-QMMMGPOBSA-N -1 1 293.269 2.976 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)c1nnc(C2CC2)o1 ZINC000901162906 620760085 /nfs/dbraw/zinc/76/00/85/620760085.db2.gz PKSGVLXZONTVEQ-UHFFFAOYSA-N -1 1 279.683 2.558 20 0 CFADMM C[C@H](O)c1cc(NC(=O)c2ccccc2[O-])ccc1F ZINC000804802513 617889152 /nfs/dbraw/zinc/88/91/52/617889152.db2.gz IOVNYWAKAYUAEZ-VIFPVBQESA-N -1 1 275.279 2.837 20 0 CFADMM C[C@H](O)c1cc(NC(=O)c2ccc([O-])c(F)c2)ccc1F ZINC000804803641 617890213 /nfs/dbraw/zinc/89/02/13/617890213.db2.gz NUPJTCMRWXWBPR-QMMMGPOBSA-N -1 1 293.269 2.976 20 0 CFADMM CCC(C)(C)C(=O)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000901220665 620762628 /nfs/dbraw/zinc/76/26/28/620762628.db2.gz BEKSIIRTEOMXLE-UHFFFAOYSA-N -1 1 269.728 2.989 20 0 CFADMM COCc1nc(NC2CC(c3ccccc3)C2)cc(=O)[n-]1 ZINC000892320299 618121508 /nfs/dbraw/zinc/12/15/08/618121508.db2.gz BNBUKMBXJQVFLW-UHFFFAOYSA-N -1 1 285.347 2.687 20 0 CFADMM Cc1ccc(CNCc2cccc(C(=O)[O-])c2)nc1C ZINC000263280071 618223622 /nfs/dbraw/zinc/22/36/22/618223622.db2.gz YMVHOSFBISNSFZ-UHFFFAOYSA-N -1 1 270.332 2.686 20 0 CFADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cc(F)cc(F)c1 ZINC000235359199 618250879 /nfs/dbraw/zinc/25/08/79/618250879.db2.gz VBEPQVLWXQHPAX-MWLCHTKSSA-N -1 1 269.291 2.650 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc(F)c1F ZINC000188355247 618301250 /nfs/dbraw/zinc/30/12/50/618301250.db2.gz MTRJMIXDCYKJPA-UHFFFAOYSA-N -1 1 284.649 2.971 20 0 CFADMM CCC(CC)C(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067074349 618322313 /nfs/dbraw/zinc/32/23/13/618322313.db2.gz UFAQRPWJKUMMPY-UHFFFAOYSA-N -1 1 284.429 2.616 20 0 CFADMM CCC(CC)NC(=O)c1nnc([N-]c2ccccc2)o1 ZINC000901408744 620809335 /nfs/dbraw/zinc/80/93/35/620809335.db2.gz NMFHKMVYYPFVGZ-UHFFFAOYSA-N -1 1 274.324 2.732 20 0 CFADMM CCc1oc(CN2C[C@@H](C)S[C@H](C)C2)cc1C(=O)[O-] ZINC000901428294 620815466 /nfs/dbraw/zinc/81/54/66/620815466.db2.gz JQJFSMFKUAZEJQ-NXEZZACHSA-N -1 1 283.393 2.866 20 0 CFADMM O=C([O-])CC1CCN(Cc2ccnn2-c2ccccc2)CC1 ZINC000901420781 620813257 /nfs/dbraw/zinc/81/32/57/620813257.db2.gz WTJGGWFGJUYZMH-UHFFFAOYSA-N -1 1 299.374 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ZINC000769913169 627486986 /nfs/dbraw/zinc/48/69/86/627486986.db2.gz CXOQAXLAAMFIPO-VHSXEESVSA-N -1 1 283.755 2.685 20 0 CFADMM CO[C@]1(C)C[C@H](NC(=O)c2c([O-])cccc2Cl)C1(C)C ZINC000769933547 627489043 /nfs/dbraw/zinc/48/90/43/627489043.db2.gz DARXSCNNTFRNFN-XHDPSFHLSA-N -1 1 297.782 2.979 20 0 CFADMM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]N1CCCC1=O ZINC000770545797 627529008 /nfs/dbraw/zinc/52/90/08/627529008.db2.gz JXZGTFFRQCMGSU-UHFFFAOYSA-N -1 1 292.722 2.662 20 0 CFADMM O=C(OCCOc1cccc(F)c1)c1ccc([O-])cc1F ZINC000773567996 627838006 /nfs/dbraw/zinc/83/80/06/627838006.db2.gz CCRZSJLCPTVGNM-UHFFFAOYSA-N -1 1 294.253 2.906 20 0 CFADMM Cc1cc(C(=O)COC(=O)c2ccc([O-])cc2F)c(C)[nH]1 ZINC000773570625 627838025 /nfs/dbraw/zinc/83/80/25/627838025.db2.gz SGUABNACYXBPGF-UHFFFAOYSA-N -1 1 291.278 2.516 20 0 CFADMM O=C(COC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000773568492 627838080 /nfs/dbraw/zinc/83/80/80/627838080.db2.gz GVQHIXUDELBIAH-UHFFFAOYSA-N -1 1 274.247 2.571 20 0 CFADMM CCC[C@@H]1C[C@@H](C(=O)[N-]Oc2ccccc2)CCO1 ZINC000774276359 627911134 /nfs/dbraw/zinc/91/11/34/627911134.db2.gz SDNTZEHGSNDGSY-GXTWGEPZSA-N -1 1 263.337 2.692 20 0 CFADMM COc1cccc([C@H](C)C(=O)[N-]OC2CCCC2)c1 ZINC000774867362 627974782 /nfs/dbraw/zinc/97/47/82/627974782.db2.gz KWJYAXLHFPIDGK-NSHDSACASA-N -1 1 263.337 2.789 20 0 CFADMM CC[C@@H](CSC)NC(=O)c1c([O-])cccc1Cl ZINC000775597892 628044048 /nfs/dbraw/zinc/04/40/48/628044048.db2.gz XDNHXHKVIMUGFW-QMMMGPOBSA-N -1 1 273.785 2.917 20 0 CFADMM CC(C)(C)C1CCC(COC(=O)c2cn[n-]n2)CC1 ZINC000805602864 628284795 /nfs/dbraw/zinc/28/47/95/628284795.db2.gz CPIILVCUACISLJ-UHFFFAOYSA-N -1 1 265.357 2.814 20 0 CFADMM C[C@@H]1CCN(Cc2cc(=O)oc3cc([O-])ccc23)C[C@@H]1F ZINC000778231113 628289913 /nfs/dbraw/zinc/28/99/13/628289913.db2.gz CZDVTOPSFLTORH-YGRLFVJLSA-N -1 1 291.322 2.679 20 0 CFADMM C[C@@H](OC(=O)c1cn[n-]n1)c1cccc2ccccc21 ZINC000805607389 628307082 /nfs/dbraw/zinc/30/70/82/628307082.db2.gz WCYFMIHSWOSBFZ-SNVBAGLBSA-N -1 1 267.288 2.876 20 0 CFADMM CCC(CC)(CNC(=O)c1ncc(C)cc1[O-])SC ZINC000778938399 628340638 /nfs/dbraw/zinc/34/06/38/628340638.db2.gz YCJFXEAIYSQKFS-UHFFFAOYSA-N -1 1 282.409 2.747 20 0 CFADMM Cc1cnc(C(=O)N2CCC(CC(C)C)CC2)c([O-])c1 ZINC000778991837 628343065 /nfs/dbraw/zinc/34/30/65/628343065.db2.gz OVJHAOIYVUWGBL-UHFFFAOYSA-N -1 1 276.380 2.994 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2coc(C)c2)c1 ZINC000781369999 628543505 /nfs/dbraw/zinc/54/35/05/628543505.db2.gz HXKOHNWWAMJPDD-UHFFFAOYSA-N -1 1 288.299 2.896 20 0 CFADMM Cc1noc(C)c1[N-]C(=O)c1csc(Cl)n1 ZINC000781920776 628590840 /nfs/dbraw/zinc/59/08/40/628590840.db2.gz MBCPMMBZDCAGCH-UHFFFAOYSA-N -1 1 257.702 2.654 20 0 CFADMM O=C([N-]OCC(F)F)C1(Cc2ccccc2Cl)CC1 ZINC000784510662 628822339 /nfs/dbraw/zinc/82/23/39/628822339.db2.gz KRBFUHRLXKIPPC-UHFFFAOYSA-N -1 1 289.709 2.976 20 0 CFADMM C[C@@H]1CN(C(=O)c2cncc([O-])c2)Cc2ccccc21 ZINC000785710708 628907157 /nfs/dbraw/zinc/90/71/57/628907157.db2.gz ZHJKEJLFTCLLTI-LLVKDONJSA-N -1 1 268.316 2.547 20 0 CFADMM CC[C@](C)(NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000786123178 628938786 /nfs/dbraw/zinc/93/87/86/628938786.db2.gz ZBMBZHOJEPUWID-INIZCTEOSA-N -1 1 270.332 2.842 20 0 CFADMM CSC1(C(=O)OCCc2cc(C(C)=O)ccc2[O-])CC1 ZINC000789208644 629135028 /nfs/dbraw/zinc/13/50/28/629135028.db2.gz CNIZKXMBZSWWDN-UHFFFAOYSA-N -1 1 294.372 2.576 20 0 CFADMM COc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])c(F)c1 ZINC000789930218 629198085 /nfs/dbraw/zinc/19/80/85/629198085.db2.gz JOHRWLCIZZZSFY-UHFFFAOYSA-N -1 1 296.685 2.841 20 0 CFADMM CCc1cc([N-]C(=O)c2nc(Cl)cs2)no1 ZINC000789961589 629200365 /nfs/dbraw/zinc/20/03/65/629200365.db2.gz JKCRVMWNRJLFIP-UHFFFAOYSA-N -1 1 257.702 2.599 20 0 CFADMM CC(C)(C(=O)Nc1nc(Cl)ccc1[O-])c1cccnc1 ZINC000790047221 629204998 /nfs/dbraw/zinc/20/49/98/629204998.db2.gz HRRQNPFVAOTXSX-UHFFFAOYSA-N -1 1 291.738 2.752 20 0 CFADMM O=C(Nc1nc(Cl)ccc1O)c1ccc([O-])c(F)c1 ZINC000790051695 629205621 /nfs/dbraw/zinc/20/56/21/629205621.db2.gz QKVMVEHPCUQWTA-UHFFFAOYSA-N -1 1 282.658 2.538 20 0 CFADMM O=C(CCCn1cccc1)Nc1nc(Cl)ccc1[O-] ZINC000790047914 629205672 /nfs/dbraw/zinc/20/56/72/629205672.db2.gz LVDYRSLVIOMGSH-UHFFFAOYSA-N -1 1 279.727 2.661 20 0 CFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CC12CCCC2 ZINC000790055783 629206265 /nfs/dbraw/zinc/20/62/65/629206265.db2.gz FYCPTQPZCPXSCH-QMMMGPOBSA-N -1 1 266.728 2.959 20 0 CFADMM CCc1cnc(CNC(=O)c2c([O-])cccc2Cl)o1 ZINC000793835321 629600351 /nfs/dbraw/zinc/60/03/51/629600351.db2.gz SMIWJDQSBCFJOY-UHFFFAOYSA-N -1 1 280.711 2.526 20 0 CFADMM COC(=O)c1ccc(C(=O)OC[C@H](C)CC(C)C)[n-]1 ZINC000796350821 629907556 /nfs/dbraw/zinc/90/75/56/629907556.db2.gz NACQEZCTTXMUHI-SNVBAGLBSA-N -1 1 267.325 2.640 20 0 CFADMM COC(=O)c1ccc(C(=O)OC[C@@H](C)c2ccccc2)[n-]1 ZINC000796369324 629909735 /nfs/dbraw/zinc/90/97/35/629909735.db2.gz LUWHIMSJOBSNSD-LLVKDONJSA-N -1 1 287.315 2.762 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@H](C)Cc2ccccc2)[n-]1 ZINC000796817177 629971676 /nfs/dbraw/zinc/97/16/76/629971676.db2.gz KTOVGMVWOQKANR-LLVKDONJSA-N -1 1 287.315 2.589 20 0 CFADMM COC(=O)c1ccc(C(=O)OCc2ccc3occc3c2)[n-]1 ZINC000797251690 630048548 /nfs/dbraw/zinc/04/85/48/630048548.db2.gz HNYGSOXTDSEKGD-UHFFFAOYSA-N -1 1 299.282 2.905 20 0 CFADMM C[C@@H]1C[C@@H](NC(=O)c2c([O-])cccc2Cl)CS1 ZINC000839830992 630094250 /nfs/dbraw/zinc/09/42/50/630094250.db2.gz PVAULIUGTSTLMF-HTQZYQBOSA-N -1 1 271.769 2.669 20 0 CFADMM C[C@@H]1[C@H](C(=O)[N-]O[C@H]2CCCCO2)[C@H]1c1ccccc1 ZINC000797717833 630098123 /nfs/dbraw/zinc/09/81/23/630098123.db2.gz GRUAGMINNCGPKA-MHEUCROKSA-N -1 1 275.348 2.611 20 0 CFADMM COC(=O)c1ccc(C(=O)O[C@H](C2CC2)C2CCC2)[n-]1 ZINC000836047642 630237284 /nfs/dbraw/zinc/23/72/84/630237284.db2.gz ORTOZARYJKGWTB-ZDUSSCGKSA-N -1 1 277.320 2.537 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CCC[C@@H]1C ZINC000799059119 630271953 /nfs/dbraw/zinc/27/19/53/630271953.db2.gz LONJTZMXOFTQSG-JQWIXIFHSA-N -1 1 291.395 2.780 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H](c2ccccn2)C1 ZINC000799061732 630272293 /nfs/dbraw/zinc/27/22/93/630272293.db2.gz OEWUBAKPTZVAAO-LLVKDONJSA-N -1 1 286.306 2.556 20 0 CFADMM Cc1ccc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)c(Cl)n1 ZINC000852730205 634816710 /nfs/dbraw/zinc/81/67/10/634816710.db2.gz PJQFKQMPWSVSCJ-JQWIXIFHSA-N -1 1 282.771 2.729 20 0 CFADMM Cc1ccc(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)c(Cl)n1 ZINC000852731821 634817120 /nfs/dbraw/zinc/81/71/20/634817120.db2.gz MHVFATZSGNQXMB-SKDRFNHKSA-N -1 1 282.771 2.586 20 0 CFADMM O=C([N-]O[C@H]1CCCCO1)C1(C2CCC2)CCC1 ZINC000836552438 630846688 /nfs/dbraw/zinc/84/66/88/630846688.db2.gz IGFAHTRTYAVBHD-LBPRGKRZSA-N -1 1 253.342 2.531 20 0 CFADMM O=C(Cc1sccc1Br)[N-]OC1CCC1 ZINC000836799239 630886710 /nfs/dbraw/zinc/88/67/10/630886710.db2.gz HRBQESUTNAWUKD-UHFFFAOYSA-N -1 1 290.182 2.653 20 0 CFADMM C[C@@]1(C[N-]C(=O)C(F)(F)C(F)F)CC1(Cl)Cl ZINC000836826533 630892882 /nfs/dbraw/zinc/89/28/82/630892882.db2.gz HAZDRACDNQICKF-LURJTMIESA-N -1 1 282.064 2.587 20 0 CFADMM CC(C)[C@H](CO)O[N-]C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000836897997 630911677 /nfs/dbraw/zinc/91/16/77/630911677.db2.gz YYSYUBMEDMJJTF-MFKMUULPSA-N -1 1 285.771 2.508 20 0 CFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1C[C@H]1C(C)C ZINC000836915885 630915062 /nfs/dbraw/zinc/91/50/62/630915062.db2.gz RDCFKFMGEFGYIS-RYUDHWBXSA-N -1 1 291.395 2.636 20 0 CFADMM O=C(C(=O)N1CCCCCCCC1)c1ccc([O-])cc1 ZINC000836921706 630917812 /nfs/dbraw/zinc/91/78/12/630917812.db2.gz KUEJHJTWXFFGAP-UHFFFAOYSA-N -1 1 275.348 2.758 20 0 CFADMM O=C([N-]CC1(c2ccccc2)CCC1)C(F)(F)F ZINC000041540832 649991425 /nfs/dbraw/zinc/99/14/25/649991425.db2.gz HNSGJUFCCLXGEZ-UHFFFAOYSA-N -1 1 257.255 2.787 20 0 CFADMM O=c1cc(C(F)(F)F)nc(SCOC2CCC2)[n-]1 ZINC000808022824 630943386 /nfs/dbraw/zinc/94/33/86/630943386.db2.gz RSZBCILSQVVXSR-UHFFFAOYSA-N -1 1 280.271 2.820 20 0 CFADMM O=C(NCCC[C@@H]1CCOC1)c1c([O-])cccc1Cl ZINC000837064355 630947654 /nfs/dbraw/zinc/94/76/54/630947654.db2.gz HCDJZYQDHMJNOQ-SNVBAGLBSA-N -1 1 283.755 2.592 20 0 CFADMM O=C(NC[C@@H]1C[C@H]1C1CC1)c1c([O-])cccc1Cl ZINC000837112313 630960032 /nfs/dbraw/zinc/96/00/32/630960032.db2.gz KGDXQQWOPHDKIA-UWVGGRQHSA-N -1 1 265.740 2.822 20 0 CFADMM O=C([N-]c1cccc2nonc21)c1nc(Cl)cs1 ZINC000808801949 631051940 /nfs/dbraw/zinc/05/19/40/631051940.db2.gz YLMIZHNPJNAIKI-UHFFFAOYSA-N -1 1 280.696 2.585 20 0 CFADMM O=C(NOC1CCCCC1)c1c(F)ccc([O-])c1F ZINC000809782623 631289570 /nfs/dbraw/zinc/28/95/70/631289570.db2.gz ARMSTFIWIFCCMH-UHFFFAOYSA-N -1 1 271.263 2.665 20 0 CFADMM CCCOC(=O)[C@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000809987436 631309056 /nfs/dbraw/zinc/30/90/56/631309056.db2.gz XTRTUUJSLVZKDL-LURJTMIESA-N -1 1 292.307 2.554 20 0 CFADMM COC(=O)c1c[n-]c(SCc2cc(C)nc(Cl)c2)n1 ZINC000840204518 631398596 /nfs/dbraw/zinc/39/85/96/631398596.db2.gz RZXLAGGIRLFAIS-UHFFFAOYSA-N -1 1 297.767 2.845 20 0 CFADMM CCN(C(=O)c1cncc([O-])c1)c1ccc(C)cc1 ZINC000104422346 631429921 /nfs/dbraw/zinc/42/99/21/631429921.db2.gz QVCXMRRRNVOKBY-UHFFFAOYSA-N -1 1 256.305 2.762 20 0 CFADMM O=C([O-])[C@H](F)CNCc1cc(Cl)cc(Cl)c1 ZINC000841816989 631475605 /nfs/dbraw/zinc/47/56/05/631475605.db2.gz ZKCYKPMKBDOBGP-SECBINFHSA-N -1 1 266.099 2.506 20 0 CFADMM CC(C)(C)CC(=O)[N-]OCc1nccn1-c1ccccc1 ZINC000842061704 631520110 /nfs/dbraw/zinc/52/01/10/631520110.db2.gz NXXOYNLTMHWPMG-UHFFFAOYSA-N -1 1 287.363 2.856 20 0 CFADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)CO[N-]C(=O)CC(C)(C)C ZINC000842063185 631521087 /nfs/dbraw/zinc/52/10/87/631521087.db2.gz JLSBWNWDJHUIJA-CHWSQXEVSA-N -1 1 298.427 2.508 20 0 CFADMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccccc1 ZINC000811836184 631630067 /nfs/dbraw/zinc/63/00/67/631630067.db2.gz HQTNLKJRPZDYNI-UHFFFAOYSA-N -1 1 282.752 2.844 20 0 CFADMM CN[C@@H](CC(C)(C)C)c1nc(C2(C(=O)[O-])CCCC2)no1 ZINC000843170465 631876022 /nfs/dbraw/zinc/87/60/22/631876022.db2.gz SPURBTKSFIYXQC-JTQLQIEISA-N -1 1 295.383 2.663 20 0 CFADMM O=C(OCCC1CCOCC1)c1ccc([O-])cc1F ZINC000814464828 632071035 /nfs/dbraw/zinc/07/10/35/632071035.db2.gz SKJRNJQGKYLIAW-UHFFFAOYSA-N -1 1 268.284 2.505 20 0 CFADMM CC[C@H](C)C[C@H](CO)NC(=O)c1c([O-])cccc1Cl ZINC000844037034 632100470 /nfs/dbraw/zinc/10/04/70/632100470.db2.gz SCMHKUANLHKRBM-VHSXEESVSA-N -1 1 285.771 2.573 20 0 CFADMM CCCO[N-]C(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000844086225 632114309 /nfs/dbraw/zinc/11/43/09/632114309.db2.gz XIOWFHDMVLJDGL-HNNXBMFYSA-N -1 1 294.370 2.638 20 0 CFADMM CCCO[N-]C(=O)Cc1scnc1-c1ccccc1 ZINC000844090016 632115862 /nfs/dbraw/zinc/11/58/62/632115862.db2.gz DOLZVACTNLHGNH-UHFFFAOYSA-N -1 1 276.361 2.810 20 0 CFADMM CC(F)(F)C[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000815066779 632194359 /nfs/dbraw/zinc/19/43/59/632194359.db2.gz YTZKNLLVVBRXIR-UHFFFAOYSA-N -1 1 287.331 2.548 20 0 CFADMM Cc1nsc(C)c1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000816426860 632454322 /nfs/dbraw/zinc/45/43/22/632454322.db2.gz ZQVFVHQUPSUZBV-UHFFFAOYSA-N -1 1 283.740 2.766 20 0 CFADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@]2(C)CC2(F)F)c1 ZINC000817249697 632585237 /nfs/dbraw/zinc/58/52/37/632585237.db2.gz RRTXNVXJXUDTGB-CQSZACIVSA-N -1 1 298.285 2.726 20 0 CFADMM CSCCO[N-]C(=O)[C@H](C)c1ccc(Cl)cc1 ZINC000846054375 632625149 /nfs/dbraw/zinc/62/51/49/632625149.db2.gz MFWODSVFECBTKJ-SECBINFHSA-N -1 1 273.785 2.854 20 0 CFADMM CC[C@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@@H](C)CO1 ZINC000846434132 632710481 /nfs/dbraw/zinc/71/04/81/632710481.db2.gz PUZLHUIMLRREQT-UWVGGRQHSA-N -1 1 283.755 2.685 20 0 CFADMM O=C(c1c([O-])cccc1Cl)N1CC[C@]2(CC2(F)F)C1 ZINC000846620764 632760721 /nfs/dbraw/zinc/76/07/21/632760721.db2.gz KZVBQUBBNXJDPN-LBPRGKRZSA-N -1 1 287.693 2.917 20 0 CFADMM O=C(C[C@H]1OCc2ccccc21)[N-]OC1CCCC1 ZINC000847662778 633030635 /nfs/dbraw/zinc/03/06/35/633030635.db2.gz PDBKZZJEGSNXKJ-CQSZACIVSA-N -1 1 261.321 2.638 20 0 CFADMM O=C(/C=C/[C@H]1CCCO1)Nc1ccc([O-])c(Cl)c1 ZINC000819411423 633152392 /nfs/dbraw/zinc/15/23/92/633152392.db2.gz MXZRPSSQGITOEE-DFVUYQKZSA-N -1 1 267.712 2.719 20 0 CFADMM CC(C)Cc1cccc([C@H](C)C(=O)[N-]OCC(C)(C)O)c1 ZINC000819541909 633363327 /nfs/dbraw/zinc/36/33/27/633363327.db2.gz ILDZRXWOXSTOKH-ZDUSSCGKSA-N -1 1 293.407 2.807 20 0 CFADMM COC(=O)c1c[n-]c(SC[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000849891446 633754555 /nfs/dbraw/zinc/75/45/55/633754555.db2.gz HWIIDGRTJLTJRJ-KXUCPTDWSA-N -1 1 266.366 2.725 20 0 CFADMM O=C(C[C@H]1CCCOC1)Nc1cc(F)c([O-])cc1Cl ZINC000885678832 635299237 /nfs/dbraw/zinc/29/92/37/635299237.db2.gz WQYWPFJVNRBOHQ-MRVPVSSYSA-N -1 1 287.718 2.940 20 0 CFADMM CO[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C(C)C ZINC000885678755 635299600 /nfs/dbraw/zinc/29/96/00/635299600.db2.gz VNFPIXWXPGVSCG-LLVKDONJSA-N -1 1 275.707 2.794 20 0 CFADMM CCOCC1(C(=O)Nc2cc(F)c([O-])cc2Cl)CC1 ZINC000885678941 635300049 /nfs/dbraw/zinc/30/00/49/635300049.db2.gz YLBIADKZDMNEGP-UHFFFAOYSA-N -1 1 287.718 2.940 20 0 CFADMM COC1CC(C(=O)Nc2cc(F)c([O-])cc2Cl)C1 ZINC000885680396 635310505 /nfs/dbraw/zinc/31/05/05/635310505.db2.gz QIPJSSZOZRGMMI-UHFFFAOYSA-N -1 1 273.691 2.548 20 0 CFADMM CC(=O)[C@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000854725591 635379295 /nfs/dbraw/zinc/37/92/95/635379295.db2.gz QPMBPHNJOBXQPD-LLVKDONJSA-N -1 1 281.739 2.629 20 0 CFADMM CC(=O)[C@@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000854732181 635380637 /nfs/dbraw/zinc/38/06/37/635380637.db2.gz QPMBPHNJOBXQPD-NSHDSACASA-N -1 1 281.739 2.629 20 0 CFADMM CO[C@@H](CNC(=O)c1c([O-])cccc1Cl)C1CCCC1 ZINC000856154211 635739255 /nfs/dbraw/zinc/73/92/55/635739255.db2.gz IFTBZCAPQPQSOO-ZDUSSCGKSA-N -1 1 297.782 2.981 20 0 CFADMM O=C(NOCC1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000856349548 635792619 /nfs/dbraw/zinc/79/26/19/635792619.db2.gz ILKVVCMJWZCTPZ-UHFFFAOYSA-N -1 1 289.253 2.873 20 0 CFADMM C/C(=C\C(=O)[N-]O[C@H]1CCCCO1)c1cccs1 ZINC000857089906 635928992 /nfs/dbraw/zinc/92/89/92/635928992.db2.gz GKGXPSBEDZJKTO-LXKVQUBZSA-N -1 1 267.350 2.726 20 0 CFADMM C[C@H]1CCc2nc(C(=O)Nc3cccc(F)c3[O-])cn2C1 ZINC000857962411 636090085 /nfs/dbraw/zinc/09/00/85/636090085.db2.gz XUKYMAKJJGQCAX-VIFPVBQESA-N -1 1 289.310 2.562 20 0 CFADMM C[C@@H]1CCC[C@H](N(C)c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858343908 636199741 /nfs/dbraw/zinc/19/97/41/636199741.db2.gz GQDNUEXCOTWKQK-BDAKNGLRSA-N -1 1 255.749 2.851 20 0 CFADMM C[C@@H]1CCCC[C@H]1OCCNc1cc(Cl)[n-]c(=O)n1 ZINC000858352311 636204365 /nfs/dbraw/zinc/20/43/65/636204365.db2.gz YNGCGMGSURCAFJ-NXEZZACHSA-N -1 1 285.775 2.843 20 0 CFADMM CCCN(C[C@H]1CCCCO1)c1cc(Cl)[n-]c(=O)n1 ZINC000858399311 636220911 /nfs/dbraw/zinc/22/09/11/636220911.db2.gz AQOGWMZBFIYRIO-SNVBAGLBSA-N -1 1 285.775 2.621 20 0 CFADMM C[C@@H]1CCC[C@H](C)CN1c1cc(Cl)[n-]c(=O)n1 ZINC000858422590 636231978 /nfs/dbraw/zinc/23/19/78/636231978.db2.gz NEEYWBAOBOSGHA-DTWKUNHWSA-N -1 1 255.749 2.851 20 0 CFADMM CCSCC[C@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858429625 636235271 /nfs/dbraw/zinc/23/52/71/636235271.db2.gz IVENUXJZXXFOMX-ZETCQYMHSA-N -1 1 261.778 2.779 20 0 CFADMM CCC1(CC)[C@@H](Nc2cc(Cl)[n-]c(=O)n2)C[C@@H]1OC ZINC000858447546 636245363 /nfs/dbraw/zinc/24/53/63/636245363.db2.gz GFXFDUYGPFMJPQ-IUCAKERBSA-N -1 1 285.775 2.841 20 0 CFADMM CCOCCC1(CNc2cc(Cl)[n-]c(=O)n2)CCC1 ZINC000858448429 636245231 /nfs/dbraw/zinc/24/52/31/636245231.db2.gz MEMSHLMAAHCCDG-UHFFFAOYSA-N -1 1 285.775 2.844 20 0 CFADMM CS[C@@H]1CCCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858452021 636247403 /nfs/dbraw/zinc/24/74/03/636247403.db2.gz HKMNXUJJQYDLSO-MRVPVSSYSA-N -1 1 273.789 2.558 20 0 CFADMM CC(C)(C)[C@@H]1CCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858481335 636265974 /nfs/dbraw/zinc/26/59/74/636265974.db2.gz FRCGIHZRNGJLAT-MRVPVSSYSA-N -1 1 255.749 2.708 20 0 CFADMM CC(C)[C@H]1N(c2cc(Cl)[n-]c(=O)n2)CC12CCC2 ZINC000858552982 636289339 /nfs/dbraw/zinc/28/93/39/636289339.db2.gz KXELMVVADCQLPE-LLVKDONJSA-N -1 1 267.760 2.851 20 0 CFADMM CC(C)[C@H](CO)[C@@H](Nc1cc(Cl)[n-]c(=O)n1)C(C)C ZINC000858560226 636292527 /nfs/dbraw/zinc/29/25/27/636292527.db2.gz FAVLWGOEMWVTHM-CABZTGNLSA-N -1 1 287.791 2.537 20 0 CFADMM CN(c1cc(Cl)[n-]c(=O)n1)C1CC(OC(C)(C)C)C1 ZINC000858573610 636297577 /nfs/dbraw/zinc/29/75/77/636297577.db2.gz JNYOWQSBIKOBNB-UHFFFAOYSA-N -1 1 285.775 2.618 20 0 CFADMM O=c1nc(NC[C@@H]2C[C@H]2C2CCC2)cc(Cl)[n-]1 ZINC000858582820 636301125 /nfs/dbraw/zinc/30/11/25/636301125.db2.gz 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261.302 2.584 20 0 CFADMM CCOc1nc(-c2ccc(C)cc2[O-])ncc1OC ZINC001241031057 780603926 /nfs/dbraw/zinc/60/39/26/780603926.db2.gz WPTIDESONMWMSM-UHFFFAOYSA-N -1 1 260.293 2.565 20 0 CFADMM COC(=O)c1cccc(-c2c(F)cc([O-])cc2F)n1 ZINC001241117700 780646096 /nfs/dbraw/zinc/64/60/96/780646096.db2.gz WARMSRZHJZDQCE-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM CCN(CC)c1cc(-c2c(F)cc([O-])cc2F)ncn1 ZINC001241118097 780646304 /nfs/dbraw/zinc/64/63/04/780646304.db2.gz HEZLZQIBVJBCDM-UHFFFAOYSA-N -1 1 279.290 2.974 20 0 CFADMM CCOC(=O)c1ncnc(-c2c(F)cc([O-])cc2F)c1C ZINC001241119111 780647507 /nfs/dbraw/zinc/64/75/07/780647507.db2.gz XWTXMYNSSDIQCM-UHFFFAOYSA-N -1 1 294.257 2.613 20 0 CFADMM CNC(=S)Nc1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241119410 780648251 /nfs/dbraw/zinc/64/82/51/780648251.db2.gz MLWSVXLCKYQIJE-UHFFFAOYSA-N -1 1 295.314 2.649 20 0 CFADMM NC(=O)c1cc(F)c(-c2c(F)cc([O-])cc2F)cc1F ZINC001241121449 780649565 /nfs/dbraw/zinc/64/95/65/780649565.db2.gz KIWMIKKPSHEUGW-UHFFFAOYSA-N -1 1 285.196 2.715 20 0 CFADMM Cc1cc(C(N)=O)ccc1-c1c(F)cc([O-])cc1F ZINC001241121273 780649654 /nfs/dbraw/zinc/64/96/54/780649654.db2.gz FPZGQTVWOVNICZ-UHFFFAOYSA-N -1 1 263.243 2.745 20 0 CFADMM CNC(=O)c1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241121697 780650698 /nfs/dbraw/zinc/65/06/98/780650698.db2.gz BVSFQWIMSDQYNQ-UHFFFAOYSA-N -1 1 263.243 2.697 20 0 CFADMM O=c1ccc(-c2c(F)cc([O-])cc2F)cn1C(F)F ZINC001241122018 780650792 /nfs/dbraw/zinc/65/07/92/780650792.db2.gz IOICSVHJDDPISJ-UHFFFAOYSA-N -1 1 273.185 2.894 20 0 CFADMM O=C1NCc2cccc(-c3c(F)cc([O-])cc3F)c21 ZINC001241121997 780650858 /nfs/dbraw/zinc/65/08/58/780650858.db2.gz HZIVXUHXFNLWAY-UHFFFAOYSA-N -1 1 261.227 2.581 20 0 CFADMM Cc1cnc2ncc(-c3c(F)cc([O-])cc3F)cc2n1 ZINC001241121714 780650922 /nfs/dbraw/zinc/65/09/22/780650922.db2.gz CNYUVYKSBMZWKU-UHFFFAOYSA-N -1 1 273.242 2.984 20 0 CFADMM COC(=O)c1c(F)cncc1-c1c(F)cc([O-])cc1F ZINC001241122793 780652048 /nfs/dbraw/zinc/65/20/48/780652048.db2.gz LNHBSYCEBXNURF-UHFFFAOYSA-N -1 1 283.205 2.658 20 0 CFADMM O=C1NCCN1c1cccc(-c2c(F)cc([O-])cc2F)c1 ZINC001241122543 780652390 /nfs/dbraw/zinc/65/23/90/780652390.db2.gz SGRHZUIUDMDRMP-UHFFFAOYSA-N -1 1 290.269 2.867 20 0 CFADMM [O-]c1cc(F)c(-c2cn3ncnc3cc2F)c(F)c1 ZINC001241124059 780652475 /nfs/dbraw/zinc/65/24/75/780652475.db2.gz AZIAGBRXCAMJDX-UHFFFAOYSA-N -1 1 265.194 2.519 20 0 CFADMM COCOc1cncc(-c2c(F)cc([O-])cc2F)c1 ZINC001241125097 780652666 /nfs/dbraw/zinc/65/26/66/780652666.db2.gz RHFCGVPXDOFVFS-UHFFFAOYSA-N -1 1 267.231 2.715 20 0 CFADMM CCOC(=O)c1nc2cc(-c3ccc[nH]c3=O)ccc2[n-]1 ZINC001241127278 780653303 /nfs/dbraw/zinc/65/33/03/780653303.db2.gz DBCPBKGYGKOSHK-UHFFFAOYSA-N -1 1 283.287 2.507 20 0 CFADMM [O-]c1cc(F)c(-c2cc(O[C@H]3CCOC3)ccn2)c(F)c1 ZINC001241125519 780653767 /nfs/dbraw/zinc/65/37/67/780653767.db2.gz ZQEKQNXEZZFAJC-NSHDSACASA-N -1 1 293.269 2.900 20 0 CFADMM CCOc1ccc(C)cc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001241149054 780667535 /nfs/dbraw/zinc/66/75/35/780667535.db2.gz PIUBTWJDZVPXOP-UHFFFAOYSA-N -1 1 295.338 2.873 20 0 CFADMM Cc1ccc(C)c(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001241191393 780694665 /nfs/dbraw/zinc/69/46/65/780694665.db2.gz IUYHPOBZTMDCBR-UHFFFAOYSA-N -1 1 251.293 2.546 20 0 CFADMM Cc1ccc(C)c(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001241191393 780694670 /nfs/dbraw/zinc/69/46/70/780694670.db2.gz IUYHPOBZTMDCBR-UHFFFAOYSA-N -1 1 251.293 2.546 20 0 CFADMM COC(=O)c1ccc2cnc(-c3cc([O-])cc(F)c3)nc2c1 ZINC001241258217 780739424 /nfs/dbraw/zinc/73/94/24/780739424.db2.gz WFPHHQMLRYLBGZ-UHFFFAOYSA-N -1 1 298.273 2.928 20 0 CFADMM [O-]c1cc(F)cc(-c2ncc(OC(F)F)cn2)c1 ZINC001241262703 780742430 /nfs/dbraw/zinc/74/24/30/780742430.db2.gz QNTXZHZGEWDCJP-UHFFFAOYSA-N -1 1 256.183 2.590 20 0 CFADMM CCOc1cncc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291004 780759300 /nfs/dbraw/zinc/75/93/00/780759300.db2.gz TVFOIDVFKUIVMJ-UHFFFAOYSA-N -1 1 252.220 2.526 20 0 CFADMM CCOc1nccnc1-c1c(F)ccc([O-])c1F ZINC001241289968 780759381 /nfs/dbraw/zinc/75/93/81/780759381.db2.gz HBKWBXOHSGJRAT-UHFFFAOYSA-N -1 1 252.220 2.526 20 0 CFADMM COC(=O)c1c(OC)ccnc1-c1c(F)ccc([O-])c1F ZINC001241291459 780761211 /nfs/dbraw/zinc/76/12/11/780761211.db2.gz LOMHVEWWQIESMD-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM CCc1nnc(-c2c(F)ccc([O-])c2F)nc1CC ZINC001241291846 780761225 /nfs/dbraw/zinc/76/12/25/780761225.db2.gz ZMRLWWCVLUOHJZ-UHFFFAOYSA-N -1 1 265.263 2.647 20 0 CFADMM CCOC(=O)c1cccc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291856 780761423 /nfs/dbraw/zinc/76/14/23/780761423.db2.gz UKFWGQQYLRDNLT-UHFFFAOYSA-N -1 1 279.242 2.909 20 0 CFADMM COC(=O)c1ccc(OC)nc1-c1c(F)ccc([O-])c1F ZINC001241291232 780761739 /nfs/dbraw/zinc/76/17/39/780761739.db2.gz UIBQZPVSHAETDS-UHFFFAOYSA-N -1 1 295.241 2.528 20 0 CFADMM Cc1ccc(CNCc2csc(C(=O)[O-])c2)o1 ZINC000701833900 780843788 /nfs/dbraw/zinc/84/37/88/780843788.db2.gz IDKFBSRXDXGOQP-UHFFFAOYSA-N -1 1 251.307 2.638 20 0 CFADMM O=C1Cc2cc(-c3ccc4ccncc4c3)ccc2C(=O)[N-]1 ZINC001241677676 781066686 /nfs/dbraw/zinc/06/66/86/781066686.db2.gz NKEKECUOMQUQCC-UHFFFAOYSA-N -1 1 288.306 2.714 20 0 CFADMM Cc1nc2c[nH]cc(-c3cc(F)cc(C(=O)[O-])c3)c-2n1 ZINC001241835234 781149452 /nfs/dbraw/zinc/14/94/52/781149452.db2.gz GBNWTAVHTUKARL-UHFFFAOYSA-N -1 1 271.251 2.771 20 0 CFADMM Cc1nc2c(cncc2-c2cc(F)cc(C(=O)[O-])c2)[nH]1 ZINC001241835234 781149456 /nfs/dbraw/zinc/14/94/56/781149456.db2.gz GBNWTAVHTUKARL-UHFFFAOYSA-N -1 1 271.251 2.771 20 0 CFADMM COc1ccc(-c2ccc3nc[nH]c3c2)cc1C(=O)[O-] ZINC001241866138 781158351 /nfs/dbraw/zinc/15/83/51/781158351.db2.gz XNBUCORKWGXCFQ-UHFFFAOYSA-N -1 1 268.272 2.937 20 0 CFADMM CO[C@@H](C)c1cccc(-c2nc(C)cc3c2C(=O)[N-]C3=O)c1 ZINC001242024350 781238450 /nfs/dbraw/zinc/23/84/50/781238450.db2.gz YJAGKTNKZZJFFZ-JTQLQIEISA-N -1 1 296.326 2.648 20 0 CFADMM Cc1ccc(-c2ccc(-c3nnn[n-]3)nc2)c(F)c1F ZINC001242030132 781242939 /nfs/dbraw/zinc/24/29/39/781242939.db2.gz FWPGSIRJUNYXOE-UHFFFAOYSA-N -1 1 273.246 2.515 20 0 CFADMM Cc1ccc(-c2ccc(-c3nn[n-]n3)nc2)c(F)c1F ZINC001242030132 781242943 /nfs/dbraw/zinc/24/29/43/781242943.db2.gz FWPGSIRJUNYXOE-UHFFFAOYSA-N -1 1 273.246 2.515 20 0 CFADMM [O-]c1ccc(C(F)(F)F)cc1-c1ncnc2[nH]cnc21 ZINC001242125930 781293218 /nfs/dbraw/zinc/29/32/18/781293218.db2.gz BDPCKTSHGJZOJF-UHFFFAOYSA-N -1 1 280.209 2.744 20 0 CFADMM COc1nccnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242126826 781294306 /nfs/dbraw/zinc/29/43/06/781294306.db2.gz RQZRXZJRCZPXSG-UHFFFAOYSA-N -1 1 270.210 2.877 20 0 CFADMM [O-]c1ccc(-c2ncnc3[nH]cnc32)cc1C(F)(F)F ZINC001242148256 781301118 /nfs/dbraw/zinc/30/11/18/781301118.db2.gz QCHBJIZNIBPVCV-UHFFFAOYSA-N -1 1 280.209 2.744 20 0 CFADMM COc1ccnc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242147826 781301426 /nfs/dbraw/zinc/30/14/26/781301426.db2.gz GBSVAFHQCXBHBL-UHFFFAOYSA-N -1 1 270.210 2.877 20 0 CFADMM [O-]c1ccc(-c2ncnc3c2COC3)cc1C(F)(F)F ZINC001242157257 781306867 /nfs/dbraw/zinc/30/68/67/781306867.db2.gz FKSLLSJTISKYBX-UHFFFAOYSA-N -1 1 282.221 2.898 20 0 CFADMM Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn2cc[nH+]c12 ZINC001242162869 781309760 /nfs/dbraw/zinc/30/97/60/781309760.db2.gz LNHCUZGFVVPUJZ-UHFFFAOYSA-N -1 1 296.282 2.706 20 0 CFADMM COC(=O)c1c(F)cncc1-c1ccc(F)cc1[O-] ZINC001242218679 781333523 /nfs/dbraw/zinc/33/35/23/781333523.db2.gz KVLKMAWJGTVCRZ-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM COc1nc(OC)c(-c2ccc(F)cc2[O-])cc1C ZINC001242219872 781335786 /nfs/dbraw/zinc/33/57/86/781335786.db2.gz VKARHPDGSDGLOB-UHFFFAOYSA-N -1 1 263.268 2.919 20 0 CFADMM O=C([O-])Cc1cccc(-c2nccc3[nH]ccc32)c1 ZINC001242260507 781346429 /nfs/dbraw/zinc/34/64/29/781346429.db2.gz UHJAXFAQTPNSNX-UHFFFAOYSA-N -1 1 252.273 2.857 20 0 CFADMM O=C([O-])Cc1cccc(-c2cccc3cncn32)c1 ZINC001242264172 781348502 /nfs/dbraw/zinc/34/85/02/781348502.db2.gz FSNZFZAUJWLPMK-UHFFFAOYSA-N -1 1 252.273 2.628 20 0 CFADMM Cc1cccc(-c2nccc(-c3cnccn3)n2)c1[O-] ZINC001242345487 781417876 /nfs/dbraw/zinc/41/78/76/781417876.db2.gz SXHZXSBVNFRKKU-UHFFFAOYSA-N -1 1 264.288 2.615 20 0 CFADMM COC(=O)c1c(F)cncc1-c1cccc(F)c1[O-] ZINC001242350466 781422613 /nfs/dbraw/zinc/42/26/13/781422613.db2.gz GRRZRGDRUHKCCU-UHFFFAOYSA-N -1 1 265.215 2.519 20 0 CFADMM CCOC(=O)c1ncccc1-c1cccc(F)c1[O-] ZINC001242351978 781424799 /nfs/dbraw/zinc/42/47/99/781424799.db2.gz FTKXFKUBYPHSNH-UHFFFAOYSA-N -1 1 261.252 2.770 20 0 CFADMM [O-]c1c(F)cccc1-c1cc(-c2nn[nH]n2)ccc1F ZINC001242352138 781424822 /nfs/dbraw/zinc/42/48/22/781424822.db2.gz NYOXTHCHTYYLBU-UHFFFAOYSA-N -1 1 274.230 2.518 20 0 CFADMM COC(=O)c1cc(C)c(-c2cccc(F)c2[O-])cn1 ZINC001242351748 781425017 /nfs/dbraw/zinc/42/50/17/781425017.db2.gz REGMEJUSSPZHJX-UHFFFAOYSA-N -1 1 261.252 2.688 20 0 CFADMM CC(=O)Nc1ncc(C)cc1-c1cccc(F)c1[O-] ZINC001242352960 781426317 /nfs/dbraw/zinc/42/63/17/781426317.db2.gz ILIPSOJVFFZKDH-UHFFFAOYSA-N -1 1 260.268 2.860 20 0 CFADMM CC[C@H]1COC(C)(C)CN1Cc1cc(C(=O)[O-])cs1 ZINC000711407902 781427774 /nfs/dbraw/zinc/42/77/74/781427774.db2.gz SGAPQKXWKJNMJE-NSHDSACASA-N -1 1 283.393 2.836 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H](CF)C1 ZINC000711467802 781436739 /nfs/dbraw/zinc/43/67/39/781436739.db2.gz GPCHLAZGOJVOBR-VIFPVBQESA-N -1 1 271.719 2.867 20 0 CFADMM COc1ncc(-c2cccc(Cl)c2[O-])c(C)n1 ZINC001242367546 781438856 /nfs/dbraw/zinc/43/88/56/781438856.db2.gz PSIDQHCIUGQUMP-UHFFFAOYSA-N -1 1 250.685 2.820 20 0 CFADMM Cc1nc2c(cncc2-c2cccc(C(=O)[O-])c2F)[nH]1 ZINC001242381001 781450252 /nfs/dbraw/zinc/45/02/52/781450252.db2.gz AVEHZSUHVZTJTC-UHFFFAOYSA-N -1 1 271.251 2.771 20 0 CFADMM Cc1nc2c[nH]cc(-c3cccc(C(=O)[O-])c3F)c-2n1 ZINC001242381001 781450258 /nfs/dbraw/zinc/45/02/58/781450258.db2.gz AVEHZSUHVZTJTC-UHFFFAOYSA-N -1 1 271.251 2.771 20 0 CFADMM CC(C)(C)c1csc(CN[C@@H]2C=C[C@H](C(=O)[O-])C2)n1 ZINC001118980072 781736034 /nfs/dbraw/zinc/73/60/34/781736034.db2.gz VAFFJGBDQWXFMH-VHSXEESVSA-N -1 1 280.393 2.560 20 0 CFADMM COc1cc(-c2cccc([O-])c2Cl)nc(OC)n1 ZINC001242798329 781763653 /nfs/dbraw/zinc/76/36/53/781763653.db2.gz SGJAEXUEUNLESR-UHFFFAOYSA-N -1 1 266.684 2.520 20 0 CFADMM COCc1cnc(-c2cccc([O-])c2Cl)nc1 ZINC001242796968 781763766 /nfs/dbraw/zinc/76/37/66/781763766.db2.gz DHSFOAIJNLRVMD-UHFFFAOYSA-N -1 1 250.685 2.649 20 0 CFADMM Cn1cnc2c1ccnc2-c1cccc([O-])c1Cl ZINC001242798739 781764024 /nfs/dbraw/zinc/76/40/24/781764024.db2.gz XOLHVQJNWZEIDW-UHFFFAOYSA-N -1 1 259.696 2.994 20 0 CFADMM Cn1ccc2c1ncnc2-c1cccc([O-])c1Cl ZINC001242797900 781764636 /nfs/dbraw/zinc/76/46/36/781764636.db2.gz OPXLSHPVUPMMBX-UHFFFAOYSA-N -1 1 259.696 2.994 20 0 CFADMM C[C@@H]1CC(=O)Nc2ncnc(-c3cccc([O-])c3Cl)c21 ZINC001242798039 781764715 /nfs/dbraw/zinc/76/47/15/781764715.db2.gz PTVRFZZECZOANK-SSDOTTSWSA-N -1 1 289.722 2.948 20 0 CFADMM COC(=O)c1cccc(-c2cccc([O-])c2Cl)n1 ZINC001242797635 781764728 /nfs/dbraw/zinc/76/47/28/781764728.db2.gz DHJMJUCGKBYMHP-UHFFFAOYSA-N -1 1 263.680 2.894 20 0 CFADMM Cc1cc(C)c(C(N)=O)c(-c2cccc([O-])c2Cl)n1 ZINC001242799070 781764785 /nfs/dbraw/zinc/76/47/85/781764785.db2.gz RXUPQTDENBLPNR-UHFFFAOYSA-N -1 1 276.723 2.823 20 0 CFADMM COC(=O)c1cnc(-c2cccc([O-])c2Cl)c(OC)c1 ZINC001242798735 781764793 /nfs/dbraw/zinc/76/47/93/781764793.db2.gz XLBZEPCVPDGDLY-UHFFFAOYSA-N -1 1 293.706 2.903 20 0 CFADMM COC(=O)c1cc(OC)c(-c2cccc([O-])c2Cl)cn1 ZINC001242800203 781765216 /nfs/dbraw/zinc/76/52/16/781765216.db2.gz DKROSQLKVNQWMJ-UHFFFAOYSA-N -1 1 293.706 2.903 20 0 CFADMM COc1cc(C)c(-c2cccc([O-])c2Cl)nn1 ZINC001242800046 781765643 /nfs/dbraw/zinc/76/56/43/781765643.db2.gz BOTMKNYUMAVHIS-UHFFFAOYSA-N -1 1 250.685 2.820 20 0 CFADMM [O-]c1cccc(-c2ccc(N3CCOCC3)nc2)c1Cl ZINC001242801139 781765797 /nfs/dbraw/zinc/76/57/97/781765797.db2.gz YAOZLHKJZVIZOT-UHFFFAOYSA-N -1 1 290.750 2.944 20 0 CFADMM CCOc1nccnc1-c1cccc([O-])c1Cl ZINC001242800869 781766228 /nfs/dbraw/zinc/76/62/28/781766228.db2.gz KQXQENVNCDPWOQ-UHFFFAOYSA-N -1 1 250.685 2.901 20 0 CFADMM COC(OC)c1nccnc1-c1cccc([O-])c1Cl ZINC001242801441 781767603 /nfs/dbraw/zinc/76/76/03/781767603.db2.gz RZHQRPSYLMLESZ-UHFFFAOYSA-N -1 1 280.711 2.794 20 0 CFADMM CNS(=O)(=O)c1cccc(-c2cccc([O-])c2Cl)c1 ZINC001242803208 781768914 /nfs/dbraw/zinc/76/89/14/781768914.db2.gz VKMZHBVBHUJCCA-UHFFFAOYSA-N -1 1 297.763 2.621 20 0 CFADMM CN1CCN(c2ccc(-c3cccc([S-])c3)nc2)CC1 ZINC001242867200 781811085 /nfs/dbraw/zinc/81/10/85/781811085.db2.gz IDDPRRGCYBSKIV-UHFFFAOYSA-N -1 1 285.416 2.789 20 0 CFADMM C=C(c1ccccc1)c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001242894530 781827555 /nfs/dbraw/zinc/82/75/55/781827555.db2.gz RWJOOABESOBFPG-UHFFFAOYSA-N -1 1 263.296 2.561 20 0 CFADMM Cc1cnc(CNCCC2(CC(=O)[O-])CCCCC2)o1 ZINC001119612216 781837899 /nfs/dbraw/zinc/83/78/99/781837899.db2.gz XGWOIYKDGFFJPG-UHFFFAOYSA-N -1 1 280.368 2.888 20 0 CFADMM COc1c(O[C@@H](C)c2cccs2)nc(C)[n-]c1=O ZINC001230019242 781843124 /nfs/dbraw/zinc/84/31/24/781843124.db2.gz IFJOHZKPFVHJJB-ZETCQYMHSA-N -1 1 266.322 2.701 20 0 CFADMM CC[C@H]1CC[C@H](Oc2nc(C)[n-]c(=O)c2OC)CC1 ZINC001230024449 781843631 /nfs/dbraw/zinc/84/36/31/781843631.db2.gz GLXVIHCNUNEHRR-XYPYZODXSA-N -1 1 266.341 2.847 20 0 CFADMM COc1c(C(=O)[O-])cccc1-c1cncc2[nH]c(C)nc21 ZINC001242923496 781845879 /nfs/dbraw/zinc/84/58/79/781845879.db2.gz BJIPWVJQKOWQOP-UHFFFAOYSA-N -1 1 283.287 2.640 20 0 CFADMM COc1c(C(=O)[O-])cccc1-c1c[nH]cc2nc(C)nc1-2 ZINC001242923496 781845886 /nfs/dbraw/zinc/84/58/86/781845886.db2.gz BJIPWVJQKOWQOP-UHFFFAOYSA-N -1 1 283.287 2.640 20 0 CFADMM CCn1c(C2CCN(C(=O)CC(C)C)CC2)n[n-]c1=S ZINC000068452773 346853554 /nfs/dbraw/zinc/85/35/54/346853554.db2.gz OHLHZLONLMMQGO-UHFFFAOYSA-N -1 1 296.440 2.713 20 0 CFADMM CCc1cc(=O)[n-]c(SCC(=O)c2ccc(C)s2)n1 ZINC000188110620 529507282 /nfs/dbraw/zinc/50/72/82/529507282.db2.gz SRNWHLLGWKRQSB-UHFFFAOYSA-N -1 1 294.401 2.677 20 0 CFADMM CCC(CC)n1ccc(CN2CCC[C@](C)(C(=O)[O-])C2)n1 ZINC000069997066 346904735 /nfs/dbraw/zinc/90/47/35/346904735.db2.gz ODDSTMOKZDEMKO-INIZCTEOSA-N -1 1 293.411 2.931 20 0 CFADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(C(C)C)n[nH]1 ZINC000126149126 187220812 /nfs/dbraw/zinc/22/08/12/187220812.db2.gz FGXIEZKKRCGXFB-UHFFFAOYSA-N -1 1 297.355 2.781 20 0 CFADMM CC[C@H](C)CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000421925882 529666128 /nfs/dbraw/zinc/66/61/28/529666128.db2.gz YFHBALJTDKUHPI-VIFPVBQESA-N -1 1 279.384 2.564 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H](O)CC1 ZINC000295065183 199326651 /nfs/dbraw/zinc/32/66/51/199326651.db2.gz YLZIDDLMTMNTIR-AWEZNQCLSA-N -1 1 285.343 2.532 20 0 CFADMM CSc1ccc([O-])c(C(=O)Nc2c(C)c(C)nn2C)c1 ZINC000668403507 539455379 /nfs/dbraw/zinc/45/53/79/539455379.db2.gz MYQLXKKQYSOTTD-UHFFFAOYSA-N -1 1 291.376 2.717 20 0 CFADMM O=C(NCCc1ccccc1F)c1c([O-])cccc1F ZINC000163619568 232258451 /nfs/dbraw/zinc/25/84/51/232258451.db2.gz AFRFCAOLTAWXGM-UHFFFAOYSA-N -1 1 277.270 2.643 20 0 CFADMM C[C@@H](CNC(=O)c1cncc([O-])c1)Sc1ccccc1 ZINC000174573652 232296311 /nfs/dbraw/zinc/29/63/11/232296311.db2.gz HJEMTUQVEYVLBZ-NSHDSACASA-N -1 1 288.372 2.698 20 0 CFADMM CCn1nc(C)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000090123785 539523395 /nfs/dbraw/zinc/52/33/95/539523395.db2.gz JCEGVAPXDULSMU-UHFFFAOYSA-N -1 1 279.727 2.823 20 0 CFADMM COc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000004737615 346209540 /nfs/dbraw/zinc/20/95/40/346209540.db2.gz BIQQOVRJGZSEIO-XBXARRHUSA-N -1 1 298.294 2.995 20 0 CFADMM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1c([O-])cccc1F ZINC000128407847 187368455 /nfs/dbraw/zinc/36/84/55/187368455.db2.gz BCCRUNMULGPNQX-NHYWBVRUSA-N -1 1 295.354 2.712 20 0 CFADMM COCc1c2ccccc2oc1C(=O)[N-]c1nc(C)no1 ZINC000056912028 346615462 /nfs/dbraw/zinc/61/54/62/346615462.db2.gz WXCFYRXWNRIWSV-UHFFFAOYSA-N -1 1 287.275 2.523 20 0 CFADMM C[C@@]1(C(=O)[O-])CCN(Cc2csc(-c3ccco3)n2)C1 ZINC000062935923 346694603 /nfs/dbraw/zinc/69/46/03/346694603.db2.gz SQQPHAILRBOPGO-CQSZACIVSA-N -1 1 292.360 2.700 20 0 CFADMM CCCN(CC)C(=O)c1ncc2ccccc2c1[O-] ZINC000666178715 539552356 /nfs/dbraw/zinc/55/23/56/539552356.db2.gz PXZNCUOLFAUBIQ-UHFFFAOYSA-N -1 1 258.321 2.813 20 0 CFADMM O=C(c1ccc([O-])cc1)C1CCN(CC(F)(F)F)CC1 ZINC000079074123 347287636 /nfs/dbraw/zinc/28/76/36/347287636.db2.gz ZVSCJVVTIRRSLO-UHFFFAOYSA-N -1 1 287.281 2.849 20 0 CFADMM CCCc1nnc(NC(=O)c2cc(F)ccc2[O-])s1 ZINC000080001514 347336258 /nfs/dbraw/zinc/33/62/58/347336258.db2.gz ZGBCUJDGOCZTRK-UHFFFAOYSA-N -1 1 281.312 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280.271 2.661 20 0 CFADMM Cc1cc(CN2CCS[C@@H](C)[C@@H]2C)oc1C(=O)[O-] ZINC000133096807 347889187 /nfs/dbraw/zinc/88/91/87/347889187.db2.gz WHKMBFPAZLRAGD-UWVGGRQHSA-N -1 1 269.366 2.612 20 0 CFADMM Cc1cc(F)ccc1C[C@H](C)NC(=O)c1cncc([O-])c1 ZINC000617320266 352537109 /nfs/dbraw/zinc/53/71/09/352537109.db2.gz MJLIQBCIUDKYMX-NSHDSACASA-N -1 1 288.322 2.596 20 0 CFADMM O=C([O-])c1cccc(NC(=O)c2cc(-c3ccco3)n[nH]2)c1 ZINC000238226731 348244873 /nfs/dbraw/zinc/24/48/73/348244873.db2.gz LIFYIIOGPQPGRC-UHFFFAOYSA-N -1 1 297.270 2.620 20 0 CFADMM O=C(C[C@H]1CCCO1)Nc1ccc([O-])c(Cl)c1 ZINC000087217555 179402354 /nfs/dbraw/zinc/40/23/54/179402354.db2.gz LQGKAHAGMLPYFY-SECBINFHSA-N -1 1 255.701 2.553 20 0 CFADMM O=c1cc(C(F)F)nc(SC[C@H]2CCCC[C@H]2O)[n-]1 ZINC000413006013 233001809 /nfs/dbraw/zinc/00/18/09/233001809.db2.gz XUOLBBKHRGLLQJ-VXNVDRBHSA-N -1 1 290.335 2.763 20 0 CFADMM CCN(CC1CC1)C(=O)c1ncc2ccccc2c1[O-] ZINC000668623576 539632910 /nfs/dbraw/zinc/63/29/10/539632910.db2.gz 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CCCC[C@H](C(=O)Nc1ncc(C(=O)OCC)[n-]1)C(C)C ZINC000598730183 350321243 /nfs/dbraw/zinc/32/12/43/350321243.db2.gz ZZFJWEKJYRIXBB-NSHDSACASA-N -1 1 295.383 2.987 20 0 CFADMM CCCC[C@H](C(=O)Nc1nc(C(=O)OCC)c[n-]1)C(C)C ZINC000598730183 350321248 /nfs/dbraw/zinc/32/12/48/350321248.db2.gz ZZFJWEKJYRIXBB-NSHDSACASA-N -1 1 295.383 2.987 20 0 CFADMM CC(C)[C@@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000271363194 191097455 /nfs/dbraw/zinc/09/74/55/191097455.db2.gz FRQYDVYYLFCVKL-FZMZJTMJSA-N -1 1 297.782 2.979 20 0 CFADMM CCOC(=O)[C@H](Sc1ncc(C)c(=O)[n-]1)C(C)(C)C ZINC000600546497 350568952 /nfs/dbraw/zinc/56/89/52/350568952.db2.gz YPVMXHWYVMDVBF-VIFPVBQESA-N -1 1 284.381 2.561 20 0 CFADMM O=C(N[C@H]1CCCc2sccc21)c1cncc([O-])c1 ZINC000109041373 186240697 /nfs/dbraw/zinc/24/06/97/186240697.db2.gz RHWHMFKHVMOIIK-LBPRGKRZSA-N -1 1 274.345 2.656 20 0 CFADMM O=C(c1cncc([O-])c1)N(Cc1cccs1)C1CC1 ZINC000109040815 186240946 /nfs/dbraw/zinc/24/09/46/186240946.db2.gz XDXMLPBEDVASDH-UHFFFAOYSA-N -1 1 274.345 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292.310 2.751 20 0 CFADMM CCc1c(C)[n-]n(-c2ccc(C(=O)OC)c(Cl)c2)c1=O ZINC000601949087 350816180 /nfs/dbraw/zinc/81/61/80/350816180.db2.gz PYVRNMQENUDIHB-JTQLQIEISA-N -1 1 294.738 2.875 20 0 CFADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1c([O-])cccc1F ZINC000605439346 351246523 /nfs/dbraw/zinc/24/65/23/351246523.db2.gz VYVQJYKHJVCEPD-QMMMGPOBSA-N -1 1 291.326 2.624 20 0 CFADMM CC(C)(C)n1cc(C(=O)Nc2c([O-])cccc2F)cn1 ZINC000605440614 351246894 /nfs/dbraw/zinc/24/68/94/351246894.db2.gz WTRUCBZROSPHHC-UHFFFAOYSA-N -1 1 277.299 2.735 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)NCCCC3CC3)cnc2n1 ZINC000605889709 351257917 /nfs/dbraw/zinc/25/79/17/351257917.db2.gz QRZOAFBHOGWIMI-UHFFFAOYSA-N -1 1 285.347 2.564 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCCC1CC1)c2=O ZINC000605889709 351257919 /nfs/dbraw/zinc/25/79/19/351257919.db2.gz QRZOAFBHOGWIMI-UHFFFAOYSA-N -1 1 285.347 2.564 20 0 CFADMM CCN(Cc1c(F)cccc1Cl)[C@@H](C)C(=O)[O-] ZINC000604773287 351227161 /nfs/dbraw/zinc/22/71/61/351227161.db2.gz 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O=C(Cc1ccc([O-])c(Cl)c1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000633407430 355893766 /nfs/dbraw/zinc/89/37/66/355893766.db2.gz UCRXCABQCRHXEX-MDZLAQPJSA-N -1 1 279.767 2.893 20 0 CFADMM CCn1ncc(C)c1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633627322 355950883 /nfs/dbraw/zinc/95/08/83/355950883.db2.gz JIBHCEAQOTYVRJ-UHFFFAOYSA-N -1 1 293.754 2.752 20 0 CFADMM CCC(F)(F)CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633682174 355970048 /nfs/dbraw/zinc/97/00/48/355970048.db2.gz RMQKDNJWMNMMIO-UHFFFAOYSA-N -1 1 277.698 2.750 20 0 CFADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633686925 355970866 /nfs/dbraw/zinc/97/08/66/355970866.db2.gz IGIYRWGPSUKHJU-AMDHYVTDSA-N -1 1 297.782 2.516 20 0 CFADMM C[C@H]1C[C@H](C)CN(C(=O)c2ccc([O-])cc2F)C1 ZINC000181051457 291113119 /nfs/dbraw/zinc/11/31/19/291113119.db2.gz HQNUGZJEHZOPAE-UWVGGRQHSA-N -1 1 251.301 2.649 20 0 CFADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC2(CC2)C1 ZINC000335392441 540265974 /nfs/dbraw/zinc/26/59/74/540265974.db2.gz IUKUJMNUQNMWFX-UHFFFAOYSA-N -1 1 271.238 2.647 20 0 CFADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H]1C ZINC000294357078 199010664 /nfs/dbraw/zinc/01/06/64/199010664.db2.gz WYJFGNOZHMFORS-HTQZYQBOSA-N -1 1 273.254 2.891 20 0 CFADMM O=C(NCC1CC(F)(F)C1)c1cc(Cl)ccc1[O-] ZINC000294400150 199025415 /nfs/dbraw/zinc/02/54/15/199025415.db2.gz WZPXDIWOQZLLJG-UHFFFAOYSA-N -1 1 275.682 2.821 20 0 CFADMM CC(C)(C)c1nnc([N-]C(=O)c2ncoc2C2CC2)s1 ZINC000294572323 199091356 /nfs/dbraw/zinc/09/13/56/199091356.db2.gz MFKGVCUSYWOETN-UHFFFAOYSA-N -1 1 292.364 2.953 20 0 CFADMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)C1CC1 ZINC000671169565 540375756 /nfs/dbraw/zinc/37/57/56/540375756.db2.gz BIIOJTMHNLDHIS-QMMMGPOBSA-N -1 1 291.775 2.804 20 0 CFADMM CC(F)(F)CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000296915788 200033286 /nfs/dbraw/zinc/03/32/86/200033286.db2.gz FKLOSEWIEWVSLI-UHFFFAOYSA-N -1 1 289.756 2.725 20 0 CFADMM CC[C@H](C(=O)[O-])N(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000251194002 540534475 /nfs/dbraw/zinc/53/44/75/540534475.db2.gz DFRQNXQXTDUXLV-ADEWGFFLSA-N -1 1 251.326 2.698 20 0 CFADMM C[C@@H](N(C)C(=O)c1cc2ccccc2cc1[O-])C(C)(C)O ZINC000297028691 200066693 /nfs/dbraw/zinc/06/66/93/200066693.db2.gz UDTPVDNCNLBMGR-LLVKDONJSA-N -1 1 287.359 2.777 20 0 CFADMM CCO[C@@H](CC)c1noc(-c2ccc(OC)cc2[O-])n1 ZINC000157373763 540609039 /nfs/dbraw/zinc/60/90/39/540609039.db2.gz DNIFKAMXSXKNHG-LBPRGKRZSA-N -1 1 278.308 2.938 20 0 CFADMM Cc1nc(C(=O)Nc2ccc(Cl)cc2[O-])co1 ZINC000669957709 540628506 /nfs/dbraw/zinc/62/85/06/540628506.db2.gz UZEVJUQTECOQKF-UHFFFAOYSA-N -1 1 252.657 2.594 20 0 CFADMM Cc1cccc(S(=O)(=O)[N-]C(C)(C)C(C)(F)F)c1F ZINC000407177917 540699233 /nfs/dbraw/zinc/69/92/33/540699233.db2.gz VNRWKCKCHYGRIW-UHFFFAOYSA-N -1 1 295.326 2.846 20 0 CFADMM C[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])[C@H]1C ZINC000177068282 189026489 /nfs/dbraw/zinc/02/64/89/189026489.db2.gz FWLYJFSOJXBTDO-IUCAKERBSA-N -1 1 253.729 2.916 20 0 CFADMM C[C@@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000263093346 540783529 /nfs/dbraw/zinc/78/35/29/540783529.db2.gz UUHYFMPOVXUWLZ-KOLCDFICSA-N -1 1 283.755 2.588 20 0 CFADMM C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000263093346 540783533 /nfs/dbraw/zinc/78/35/33/540783533.db2.gz UUHYFMPOVXUWLZ-KOLCDFICSA-N -1 1 283.755 2.588 20 0 CFADMM CC(C)CCc1nc(CN2CC[C@@H](C(=O)[O-])C2)cs1 ZINC000178900954 189153632 /nfs/dbraw/zinc/15/36/32/189153632.db2.gz MWBCNOKATSOBNV-LLVKDONJSA-N -1 1 282.409 2.638 20 0 CFADMM CC1(C)CCC[C@@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1 ZINC000179344275 189187894 /nfs/dbraw/zinc/18/78/94/189187894.db2.gz VOHCEPZZKDOJDJ-SSDOTTSWSA-N -1 1 290.289 2.978 20 0 CFADMM Cc1cc(-c2nc3ccc(O)cc3c(=O)[n-]2)c(C)o1 ZINC000352313516 540886829 /nfs/dbraw/zinc/88/68/29/540886829.db2.gz MKTKKJUCVRCADD-UHFFFAOYSA-N -1 1 256.261 2.918 20 0 CFADMM C[C@@H]1C[C@H]1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871618 540887317 /nfs/dbraw/zinc/88/73/17/540887317.db2.gz ONFFBVOVLKZPDW-APPZFPTMSA-N -1 1 273.254 2.797 20 0 CFADMM CCCC[C@@H](CC)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000670405572 540973469 /nfs/dbraw/zinc/97/34/69/540973469.db2.gz YFYJMFMEDPROQZ-LLVKDONJSA-N -1 1 295.383 2.698 20 0 CFADMM CC1(C)COCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000670389408 540964469 /nfs/dbraw/zinc/96/44/69/540964469.db2.gz VRJLWGFHAKQISL-UHFFFAOYSA-N -1 1 289.253 2.620 20 0 CFADMM Cc1ccccc1CNC(=O)c1ccc([O-])cc1F ZINC000181057474 189286954 /nfs/dbraw/zinc/28/69/54/189286954.db2.gz SCJQNLVGZPZUFJ-UHFFFAOYSA-N -1 1 259.280 2.770 20 0 CFADMM CCCCc1nnc([N-]C(=O)c2ncccc2F)s1 ZINC000666968134 541168359 /nfs/dbraw/zinc/16/83/59/541168359.db2.gz BJMHETKVFUVYGA-UHFFFAOYSA-N -1 1 280.328 2.667 20 0 CFADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cccs2)o1 ZINC000426778697 239262745 /nfs/dbraw/zinc/26/27/45/239262745.db2.gz ZZJVBNACWMTOSN-LLVKDONJSA-N -1 1 265.334 2.955 20 0 CFADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccsc2)o1 ZINC000426782035 239263281 /nfs/dbraw/zinc/26/32/81/239263281.db2.gz DHIURQIMCIFMHG-NSHDSACASA-N -1 1 265.334 2.955 20 0 CFADMM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000427459042 239312230 /nfs/dbraw/zinc/31/22/30/239312230.db2.gz PSCKXGRHSOMPBU-HNNXBMFYSA-N -1 1 296.370 2.943 20 0 CFADMM Cc1[nH]nc2cc(NC(=O)c3ncc(C)cc3[O-])ccc12 ZINC000428027956 239361532 /nfs/dbraw/zinc/36/15/32/239361532.db2.gz CSHANYAGIRHWEW-UHFFFAOYSA-N -1 1 282.303 2.533 20 0 CFADMM COC(=O)c1c[n-]c(SCc2cc(F)cc(F)c2)n1 ZINC000432655464 240027005 /nfs/dbraw/zinc/02/70/05/240027005.db2.gz GNECPBDMTUYZBA-UHFFFAOYSA-N -1 1 284.287 2.767 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000672117035 541414026 /nfs/dbraw/zinc/41/40/26/541414026.db2.gz ZOXKNUSTQYGPGW-ZDUSSCGKSA-N -1 1 289.310 2.622 20 0 CFADMM Cc1ccccc1CS(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000672429797 541433244 /nfs/dbraw/zinc/43/32/44/541433244.db2.gz PYWDIBDRSHLQQT-LBPRGKRZSA-N -1 1 289.347 2.602 20 0 CFADMM O=C(NCCCCc1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000672703127 541448383 /nfs/dbraw/zinc/44/83/83/541448383.db2.gz UXBVHHJXFJMOFW-UHFFFAOYSA-N -1 1 297.354 2.714 20 0 CFADMM CSCc1cccc(CNC(=O)c2ncccc2[O-])c1 ZINC000438388729 240673372 /nfs/dbraw/zinc/67/33/72/240673372.db2.gz CIGRFBWWVPJMMS-UHFFFAOYSA-N -1 1 288.372 2.580 20 0 CFADMM O=C(N[C@H](C1CC1)C(F)(F)F)c1ccc([O-])c(F)c1 ZINC000673408337 541484661 /nfs/dbraw/zinc/48/46/61/541484661.db2.gz QQZSUDUYCILCOU-SNVBAGLBSA-N -1 1 277.217 2.602 20 0 CFADMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000444209733 241125846 /nfs/dbraw/zinc/12/58/46/241125846.db2.gz CPIKDASCMJZPSZ-YUMQZZPRSA-N -1 1 293.310 2.571 20 0 CFADMM CN(C(=O)c1cc(Cl)ccc1[O-])[C@@H](CO)CC(C)(C)C ZINC000456424105 244180042 /nfs/dbraw/zinc/18/00/42/244180042.db2.gz RALNUCOOGPEOFF-LLVKDONJSA-N -1 1 299.798 2.915 20 0 CFADMM CCCSCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456796973 244292182 /nfs/dbraw/zinc/29/21/82/244292182.db2.gz XYSQEQZLHZVPMA-UHFFFAOYSA-N -1 1 261.293 2.752 20 0 CFADMM Cc1[nH]nc(C(=O)Nc2cccc(Cl)c2C)c1[O-] ZINC000676629935 541772922 /nfs/dbraw/zinc/77/29/22/541772922.db2.gz JFNQPJBFRMXTSD-UHFFFAOYSA-N -1 1 265.700 2.638 20 0 CFADMM CC(C)CON=c1ccc(C(=O)Nc2ccccc2)n[n-]1 ZINC000276210586 193244355 /nfs/dbraw/zinc/24/43/55/193244355.db2.gz KDOXUVNTUZXPKU-UHFFFAOYSA-N -1 1 286.335 2.728 20 0 CFADMM c1ccc(-c2nc(=NOC[C@@H]3CCOC3)s[n-]2)cc1 ZINC000276293821 193274976 /nfs/dbraw/zinc/27/49/76/193274976.db2.gz YZPWYDUQIAYBDG-SNVBAGLBSA-N -1 1 277.349 2.585 20 0 CFADMM CCCc1cc(=O)[n-]c(SC2CC(OCC)C2)n1 ZINC000331945058 204322306 /nfs/dbraw/zinc/32/23/06/204322306.db2.gz JUMLYDUBHBZGHB-UHFFFAOYSA-N -1 1 268.382 2.794 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]2CCC[C@@H]21 ZINC000128677672 296181258 /nfs/dbraw/zinc/18/12/58/296181258.db2.gz IWWRHNJKZOOQGZ-MFKMUULPSA-N -1 1 263.312 2.936 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCCc2cccc(O)c21 ZINC000132909075 296181395 /nfs/dbraw/zinc/18/13/95/296181395.db2.gz AGSXLPIYRDYRAT-UHFFFAOYSA-N -1 1 287.290 2.830 20 0 CFADMM O=C([O-])[C@H](NCc1ccccc1F)c1ccccc1 ZINC000019787861 372188826 /nfs/dbraw/zinc/18/88/26/372188826.db2.gz LCRDUFLLLFEADQ-CQSZACIVSA-N -1 1 259.280 2.741 20 0 CFADMM CN(Cc1cnn(C)c1)C(=O)c1cc2ccccc2cc1[O-] ZINC000025045741 372288836 /nfs/dbraw/zinc/28/88/36/372288836.db2.gz ROIIGFCSBPLHAS-UHFFFAOYSA-N -1 1 295.342 2.551 20 0 CFADMM O=C([O-])[C@@H]1CCCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000035296644 372548152 /nfs/dbraw/zinc/54/81/52/372548152.db2.gz DZVPQKHSNAVGKX-CYBMUJFWSA-N -1 1 286.331 2.638 20 0 CFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc2c(c1)CCC2 ZINC000036714214 372586959 /nfs/dbraw/zinc/58/69/59/372586959.db2.gz JOHZSLLJXHBIQE-UHFFFAOYSA-N -1 1 296.252 2.565 20 0 CFADMM O=C(c1ncccc1[O-])N1CCC[C@H]2CCCC[C@@H]21 ZINC000037760777 372699971 /nfs/dbraw/zinc/69/99/71/372699971.db2.gz OLTFYROPBWBEMX-NEPJUHHUSA-N -1 1 260.337 2.582 20 0 CFADMM CN(CCC(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC000037853413 372725781 /nfs/dbraw/zinc/72/57/81/372725781.db2.gz KTYQTVOIYOEZBE-UHFFFAOYSA-N -1 1 262.136 2.900 20 0 CFADMM C[C@H](CN(C)Cc1cc(-c2cccs2)on1)C(=O)[O-] ZINC000042705677 372947636 /nfs/dbraw/zinc/94/76/36/372947636.db2.gz DKPDLZBQQMBRRN-SECBINFHSA-N -1 1 280.349 2.556 20 0 CFADMM C[C@H](CN(C)Cc1coc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000042706758 372948450 /nfs/dbraw/zinc/94/84/50/372948450.db2.gz LTDSPWFQLSZDLH-SNVBAGLBSA-N -1 1 292.310 2.633 20 0 CFADMM CC(C)c1cccc(NC(=O)CN(C)CCCC(=O)[O-])c1 ZINC000042717770 372949625 /nfs/dbraw/zinc/94/96/25/372949625.db2.gz HJDUVFVLYISMHZ-UHFFFAOYSA-N -1 1 292.379 2.545 20 0 CFADMM CN(CCCC(=O)[O-])Cc1ccc(F)cc1Cl ZINC000042717188 372950016 /nfs/dbraw/zinc/95/00/16/372950016.db2.gz UNSAUJSBDMPMSY-UHFFFAOYSA-N -1 1 259.708 2.776 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CCOC2(CCC2)C1 ZINC000134203348 296195203 /nfs/dbraw/zinc/19/52/03/296195203.db2.gz QBEADXLGZWEEQT-UHFFFAOYSA-N -1 1 297.354 2.941 20 0 CFADMM COC1(CSc2nc(C3CC3)cc(=O)[n-]2)CCC1 ZINC000571374850 383688422 /nfs/dbraw/zinc/68/84/22/383688422.db2.gz PBBBGWCDQKVPJQ-UHFFFAOYSA-N -1 1 266.366 2.721 20 0 CFADMM CC(C)N(Cc1cccs1)C(=O)c1ncccc1[O-] ZINC000049038915 373253918 /nfs/dbraw/zinc/25/39/18/373253918.db2.gz WNFLDSCOLDACIA-UHFFFAOYSA-N -1 1 276.361 2.900 20 0 CFADMM CCCC(C)(C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000051163624 373387845 /nfs/dbraw/zinc/38/78/45/373387845.db2.gz FPTWNASNNNONKW-UHFFFAOYSA-N -1 1 295.326 2.961 20 0 CFADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCCO1 ZINC000061933733 373738353 /nfs/dbraw/zinc/73/83/53/373738353.db2.gz GPDKSRYTSGXRIR-LBPRGKRZSA-N -1 1 285.343 2.796 20 0 CFADMM COc1ccc2nc(-c3cccc(C(C)=O)c3)[n-]c(=O)c2c1 ZINC000063580655 373808997 /nfs/dbraw/zinc/80/89/97/373808997.db2.gz RBRPIHBAYCVGAK-UHFFFAOYSA-N -1 1 294.310 2.801 20 0 CFADMM COC(=O)c1cc(-c2cccc(C(=O)[O-])c2)cc2[nH]ncc21 ZINC000571448983 383695650 /nfs/dbraw/zinc/69/56/50/383695650.db2.gz GGQVQJTZVJGCSA-UHFFFAOYSA-N -1 1 296.282 2.715 20 0 CFADMM COc1cncc(CSc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000289538296 197394793 /nfs/dbraw/zinc/39/47/93/197394793.db2.gz NVZCUZWXVPGCDR-UHFFFAOYSA-N -1 1 299.302 2.816 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCOC[C@@H]1C1CCC1 ZINC000335409596 296210087 /nfs/dbraw/zinc/21/00/87/296210087.db2.gz NEYCTEYHEYFSQH-CYBMUJFWSA-N -1 1 295.766 2.687 20 0 CFADMM CCC1([N-]S(=O)(=O)c2sccc2F)CCCC1 ZINC000451746523 383697134 /nfs/dbraw/zinc/69/71/34/383697134.db2.gz XGFNGZXBWFORRD-UHFFFAOYSA-N -1 1 277.386 2.888 20 0 CFADMM CCCCC[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645419467 383698117 /nfs/dbraw/zinc/69/81/17/383698117.db2.gz BNNROQJYAICBNM-UHFFFAOYSA-N -1 1 296.314 2.569 20 0 CFADMM CC(C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000070224153 374149072 /nfs/dbraw/zinc/14/90/72/374149072.db2.gz CBMYKXKDIYOKJH-UHFFFAOYSA-N -1 1 274.194 2.742 20 0 CFADMM CC(C)c1ccc(-c2nc3cccnc3c(=O)[n-]2)cn1 ZINC000491599702 541930907 /nfs/dbraw/zinc/93/09/07/541930907.db2.gz UQAZIWVRODEQQQ-UHFFFAOYSA-N -1 1 266.304 2.916 20 0 CFADMM O=C(/C=C/c1ccc[nH]1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000492040118 246166740 /nfs/dbraw/zinc/16/67/40/246166740.db2.gz IYFHJAQNNFFBNL-AATRIKPKSA-N -1 1 284.344 2.540 20 0 CFADMM CSc1n[nH]c(NC(=O)/C=C/SCc2ccco2)n1 ZINC000492058797 246170489 /nfs/dbraw/zinc/17/04/89/246170489.db2.gz QLFYDURNZDJCDG-GQCTYLIASA-N -1 1 296.377 2.505 20 0 CFADMM O=S(=O)([N-]CC(F)F)c1cc(Cl)cc(Cl)c1 ZINC000074969614 374451270 /nfs/dbraw/zinc/45/12/70/374451270.db2.gz HFAFUGXOMPWOFT-UHFFFAOYSA-N -1 1 290.118 2.537 20 0 CFADMM Cc1ccc(C[C@H](C)[N-]C(=O)C(F)(F)F)s1 ZINC000083927126 374759069 /nfs/dbraw/zinc/75/90/69/374759069.db2.gz SPGTTXCYLLGONK-LURJTMIESA-N -1 1 251.273 2.666 20 0 CFADMM O=C(/C=C/SCc1ccco1)[N-]O[C@@H]1CCCCO1 ZINC000084972336 374794830 /nfs/dbraw/zinc/79/48/30/374794830.db2.gz DVENEABPEHBVSM-YSKGHYERSA-N -1 1 283.349 2.601 20 0 CFADMM O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc2ccccc2c1[O-] ZINC000092757299 375149832 /nfs/dbraw/zinc/14/98/32/375149832.db2.gz IFBKCZLZSDXCLH-XJKSGUPXSA-N -1 1 299.370 2.826 20 0 CFADMM CCN(Cc1cccc(C(=O)[O-])c1)Cc1ccccn1 ZINC000094919613 375391511 /nfs/dbraw/zinc/39/15/11/375391511.db2.gz OKQAWFKHHXYUIK-UHFFFAOYSA-N -1 1 270.332 2.802 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@H]1c1ncc[nH]1 ZINC000094071793 375340259 /nfs/dbraw/zinc/34/02/59/375340259.db2.gz NKPDBODZYIABNI-LBPRGKRZSA-N -1 1 289.310 2.622 20 0 CFADMM C[C@@]1(CNC(=O)c2ccc3ccccc3c2[O-])CCCO1 ZINC000094803826 375381407 /nfs/dbraw/zinc/38/14/07/375381407.db2.gz BQWBTUYWRDJNBJ-KRWDZBQOSA-N -1 1 285.343 2.844 20 0 CFADMM O=C(NCC(F)F)c1ccc2ccccc2c1[O-] ZINC000098003070 375590367 /nfs/dbraw/zinc/59/03/67/375590367.db2.gz VNQZUGSEZQPJNB-UHFFFAOYSA-N -1 1 251.232 2.540 20 0 CFADMM CC(C)CN(CC(C)C)C(=O)c1cncc([O-])c1 ZINC000104425475 375783040 /nfs/dbraw/zinc/78/30/40/375783040.db2.gz QVPOLROJDYQVGQ-UHFFFAOYSA-N -1 1 250.342 2.541 20 0 CFADMM CC1(C)c2ccccc2CCN1C(=O)c1cncc([O-])c1 ZINC000678690286 542059570 /nfs/dbraw/zinc/05/95/70/542059570.db2.gz SFWOVDUWEWAQKL-UHFFFAOYSA-N -1 1 282.343 2.721 20 0 CFADMM CCCCN(CC(F)(F)F)C(=O)c1cncc([O-])c1 ZINC000111742258 375867354 /nfs/dbraw/zinc/86/73/54/375867354.db2.gz WICPOMKZOZMZAZ-UHFFFAOYSA-N -1 1 276.258 2.592 20 0 CFADMM CC(C)c1csc(NC(=O)c2cncc([O-])c2)n1 ZINC000111739412 375867465 /nfs/dbraw/zinc/86/74/65/375867465.db2.gz OVRUKLSXTSUGIC-UHFFFAOYSA-N -1 1 263.322 2.619 20 0 CFADMM C[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000112708045 375953264 /nfs/dbraw/zinc/95/32/64/375953264.db2.gz AYHJNEFOZKCDGB-SSDOTTSWSA-N -1 1 293.310 2.571 20 0 CFADMM Cc1cccc([C@@H](C)NC(=O)c2cncc([O-])c2)c1C ZINC000115726153 376148347 /nfs/dbraw/zinc/14/83/47/376148347.db2.gz YRVOPYOZWKHDDE-GFCCVEGCSA-N -1 1 270.332 2.895 20 0 CFADMM CC(C)(CNC(=O)c1cncc([O-])c1)Cc1ccccc1 ZINC000117425494 376242310 /nfs/dbraw/zinc/24/23/10/376242310.db2.gz UGBDFUWBQDUBQG-UHFFFAOYSA-N -1 1 284.359 2.786 20 0 CFADMM Cc1c(=O)[n-]c(SCC(C)(C)O)nc1-c1ccccc1 ZINC000118956462 376327088 /nfs/dbraw/zinc/32/70/88/376327088.db2.gz QHCUHXDLGWZWCM-UHFFFAOYSA-N -1 1 290.388 2.608 20 0 CFADMM CCc1ccc(S(=O)(=O)[N-]c2ccncc2F)s1 ZINC000120850685 376708090 /nfs/dbraw/zinc/70/80/90/376708090.db2.gz WJJWXFTXWAMKOH-UHFFFAOYSA-N -1 1 286.353 2.645 20 0 CFADMM CCOCc1nnc([N-]Cc2nc3c(s2)CCCC3)o1 ZINC000679121344 542123042 /nfs/dbraw/zinc/12/30/42/542123042.db2.gz JXNZUHOYUWOIKW-UHFFFAOYSA-N -1 1 294.380 2.554 20 0 CFADMM Cc1ccccc1CC(C)(C)[N-]C(=O)C(F)(F)F ZINC000264248535 383715622 /nfs/dbraw/zinc/71/56/22/383715622.db2.gz ZVXHLNYUXUNXEL-UHFFFAOYSA-N -1 1 259.271 2.995 20 0 CFADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C1CC1 ZINC000121809898 376910758 /nfs/dbraw/zinc/91/07/58/376910758.db2.gz XVOSMUYINDNEJC-SSDOTTSWSA-N -1 1 284.153 2.683 20 0 CFADMM C[C@@H]1CCC[C@H](C)[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000125139907 377120791 /nfs/dbraw/zinc/12/07/91/377120791.db2.gz OBQQANBHJVKWPY-MNOVXSKESA-N -1 1 291.420 2.995 20 0 CFADMM CCOCCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000126787281 377247012 /nfs/dbraw/zinc/24/70/12/377247012.db2.gz OUSRDMOXXFZZHL-UHFFFAOYSA-N -1 1 282.287 2.720 20 0 CFADMM CC(C)(C)C(=O)NCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129561408 377445769 /nfs/dbraw/zinc/44/57/69/377445769.db2.gz ICPYVTGFZCJFAA-UHFFFAOYSA-N -1 1 298.770 2.537 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCCC2(CCC2)C1 ZINC000373474848 284663998 /nfs/dbraw/zinc/66/39/98/284663998.db2.gz OMQLYHCWDJQGTF-UHFFFAOYSA-N -1 1 263.312 2.938 20 0 CFADMM O=S(=O)([N-]C1CCCC1)c1c(F)cccc1Cl ZINC000130941018 377634769 /nfs/dbraw/zinc/63/47/69/377634769.db2.gz OUAHCHPVVCKPDF-UHFFFAOYSA-N -1 1 277.748 2.700 20 0 CFADMM CC(C)c1nc(=NC[C@H]2N(C)CCCC2(C)C)s[n-]1 ZINC000571747121 383722739 /nfs/dbraw/zinc/72/27/39/383722739.db2.gz ZCPYRXDNENVUAF-LLVKDONJSA-N -1 1 282.457 2.616 20 0 CFADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CCS1 ZINC000134348488 378002966 /nfs/dbraw/zinc/00/29/66/378002966.db2.gz KURCSQVRQQXTCD-MRVPVSSYSA-N -1 1 271.769 2.623 20 0 CFADMM CC(C)[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000134976740 378070973 /nfs/dbraw/zinc/07/09/73/378070973.db2.gz UYQADLWQYHKAIP-SNVBAGLBSA-N -1 1 251.301 2.649 20 0 CFADMM CCC[C@@H](C(=O)Nc1nc(-c2ccccn2)n[nH]1)C(C)C ZINC000136272811 378192689 /nfs/dbraw/zinc/19/26/89/378192689.db2.gz OCNZTUHDWRRZLD-LLVKDONJSA-N -1 1 287.367 2.878 20 0 CFADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCCCC1 ZINC000145604133 378249029 /nfs/dbraw/zinc/24/90/29/378249029.db2.gz SLIMUKKUYKFZPF-UHFFFAOYSA-N -1 1 253.729 2.601 20 0 CFADMM [O-]c1ccc(-c2noc(C[C@@H]3CCCCO3)n2)cc1F ZINC000278327182 193922872 /nfs/dbraw/zinc/92/28/72/193922872.db2.gz ZHJGBSOKEGEVJI-JTQLQIEISA-N -1 1 278.283 2.693 20 0 CFADMM CCc1nnc([N-]C(=O)c2cc(C(C)(C)C)on2)s1 ZINC000151867179 378366810 /nfs/dbraw/zinc/36/68/10/378366810.db2.gz KMDUXNHCDMHPLL-UHFFFAOYSA-N -1 1 280.353 2.638 20 0 CFADMM CC1(C)CCCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000152503708 378421704 /nfs/dbraw/zinc/42/17/04/378421704.db2.gz NFAGJKCWAOOKEG-CYBMUJFWSA-N -1 1 299.374 2.622 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H]2OCCC[C@H]2C1 ZINC000153963410 378525526 /nfs/dbraw/zinc/52/55/26/378525526.db2.gz BLOCFFLTHCPWOT-HZMBPMFUSA-N -1 1 295.766 2.687 20 0 CFADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCC[C@@H](C)C2)c1 ZINC000331250405 378658362 /nfs/dbraw/zinc/65/83/62/378658362.db2.gz YWOSLLBIHFGECB-MNOVXSKESA-N -1 1 291.347 2.944 20 0 CFADMM CCCO[C@H]1CCCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000332301885 378744286 /nfs/dbraw/zinc/74/42/86/378744286.db2.gz VOGVMZPZPLBYBR-ZDUSSCGKSA-N -1 1 292.379 2.517 20 0 CFADMM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)C(=O)c1ccc([O-])cc1 ZINC000332577135 378777200 /nfs/dbraw/zinc/77/72/00/378777200.db2.gz GIQKIFMJABQLAE-KWCYVHTRSA-N -1 1 287.359 2.660 20 0 CFADMM Cc1ccc2c([O-])c(C(=O)N(C)CC(C)(C)C)cnc2n1 ZINC000332671863 378786468 /nfs/dbraw/zinc/78/64/68/378786468.db2.gz FJHGKLHAPZWWGA-UHFFFAOYSA-N -1 1 287.363 2.762 20 0 CFADMM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)CC(C)(C)C)c2=O ZINC000332671863 378786475 /nfs/dbraw/zinc/78/64/75/378786475.db2.gz FJHGKLHAPZWWGA-UHFFFAOYSA-N -1 1 287.363 2.762 20 0 CFADMM O=C(NC[C@@H]1CCOC2(CCC2)C1)c1cc(F)ccc1[O-] ZINC000333065232 378816746 /nfs/dbraw/zinc/81/67/46/378816746.db2.gz JBPRUXMEIJZQQH-LLVKDONJSA-N -1 1 293.338 2.610 20 0 CFADMM Cc1ccc(CN2CCCC[C@H]2c2n[nH]c(=O)[n-]2)c(C)c1 ZINC000334047046 378891685 /nfs/dbraw/zinc/89/16/85/378891685.db2.gz QKKSEZJLSMOBBV-AWEZNQCLSA-N -1 1 286.379 2.854 20 0 CFADMM Cc1ccc(NCc2c(F)ccc(O)c2F)[nH+]c1 ZINC000334210151 378930211 /nfs/dbraw/zinc/93/02/11/378930211.db2.gz DNTPIUMIPFYPEF-UHFFFAOYSA-N -1 1 250.248 2.986 20 0 CFADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1C[C@@H]1C(F)F ZINC000334220635 378943218 /nfs/dbraw/zinc/94/32/18/378943218.db2.gz VRZBLJSQVFXXHK-BQBZGAKWSA-N -1 1 261.655 2.885 20 0 CFADMM CC(=O)c1cc(F)c([N-]C(=O)c2ocnc2C)c(F)c1 ZINC000334276753 379021667 /nfs/dbraw/zinc/02/16/67/379021667.db2.gz CYOPYOYXDSEATE-UHFFFAOYSA-N -1 1 280.230 2.716 20 0 CFADMM COc1cc(C(=O)N(C)[C@@H]2CC2(C)C)cc(Cl)c1[O-] ZINC000335289869 379032879 /nfs/dbraw/zinc/03/28/79/379032879.db2.gz NPYCOTUNSQMROX-LLVKDONJSA-N -1 1 283.755 2.925 20 0 CFADMM COCc1cccc(CSc2nc(C(=O)OC)c[n-]2)c1 ZINC000278740392 194132924 /nfs/dbraw/zinc/13/29/24/194132924.db2.gz VJSSLDVURCUTJO-UHFFFAOYSA-N -1 1 292.360 2.635 20 0 CFADMM CC(C)O[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000335391934 379210201 /nfs/dbraw/zinc/21/02/01/379210201.db2.gz GFTXWHXGYAWMKA-LLVKDONJSA-N -1 1 283.755 2.685 20 0 CFADMM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cncc([O-])c1 ZINC000334446563 379315614 /nfs/dbraw/zinc/31/56/14/379315614.db2.gz PPDOGKXHAXXPRZ-LDYMZIIASA-N -1 1 288.269 2.590 20 0 CFADMM Cc1cc2cc(NC(=O)c3cncc([O-])c3)ccc2[nH]1 ZINC000171862868 379423012 /nfs/dbraw/zinc/42/30/12/379423012.db2.gz RZGBKDZHMCNVCA-UHFFFAOYSA-N -1 1 267.288 2.829 20 0 CFADMM O=C(Nc1ccc(OC2CCCC2)nc1)c1cncc([O-])c1 ZINC000171869266 379425159 /nfs/dbraw/zinc/42/51/59/379425159.db2.gz PIKCKTXOHRYQGO-UHFFFAOYSA-N -1 1 299.330 2.756 20 0 CFADMM C[C@@H]1C[C@H](CO)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000335531980 379465524 /nfs/dbraw/zinc/46/55/24/379465524.db2.gz RWRGADKVJIMBBF-OLZOCXBDSA-N -1 1 299.370 2.636 20 0 CFADMM O=S(=O)([N-][C@H]1CC[C@H](F)C1)c1sccc1Cl ZINC000334536317 379476846 /nfs/dbraw/zinc/47/68/46/379476846.db2.gz LMLZZOSCLFKPRL-BQBZGAKWSA-N -1 1 283.777 2.570 20 0 CFADMM C[C@@H]1CCCN(Cc2cc(F)c(F)cc2F)[C@@H]1C(=O)[O-] ZINC000334578351 379567245 /nfs/dbraw/zinc/56/72/45/379567245.db2.gz JERXWAWXEHLULD-OQPBUACISA-N -1 1 287.281 2.789 20 0 CFADMM O=C([N-]Cc1cc(Cl)ccc1OC(F)F)C(F)F ZINC000279004320 194247313 /nfs/dbraw/zinc/24/73/13/194247313.db2.gz GYNHAYDPGIPSAU-UHFFFAOYSA-N -1 1 285.624 2.823 20 0 CFADMM CC1(C)CN(C(=O)c2ccc(Cl)cc2[O-])[C@@H]2COC[C@@H]21 ZINC000334736417 379850377 /nfs/dbraw/zinc/85/03/77/379850377.db2.gz LAZPHXMPFHTALN-NWDGAFQWSA-N -1 1 295.766 2.543 20 0 CFADMM CCc1nc(CCNC(=O)c2cc(F)ccc2[O-])cs1 ZINC000175215166 380021897 /nfs/dbraw/zinc/02/18/97/380021897.db2.gz XNEAWXKDFHOSRH-UHFFFAOYSA-N -1 1 294.351 2.523 20 0 CFADMM Cc1cnc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c([O-])c1 ZINC000335222977 380032587 /nfs/dbraw/zinc/03/25/87/380032587.db2.gz JXFPZJAPTRNEDD-BDJLRTHQSA-N -1 1 274.364 2.748 20 0 CFADMM C[C@@]1(c2nc(-c3ccc([O-])c(F)c3)no2)C[C@@H]1F ZINC000335248326 380078681 /nfs/dbraw/zinc/07/86/81/380078681.db2.gz HLQXPMXWJBIRPI-JOYOIKCWSA-N -1 1 252.220 2.581 20 0 CFADMM Cc1cnc(C(=O)N(C)[C@H]2CCc3ccccc32)c([O-])c1 ZINC000335903767 380080346 /nfs/dbraw/zinc/08/03/46/380080346.db2.gz JYGRBALHSRHIJQ-AWEZNQCLSA-N -1 1 282.343 2.855 20 0 CFADMM O=C(c1cncc([O-])c1)N(CCC(F)(F)F)CC1CC1 ZINC000176325636 380215906 /nfs/dbraw/zinc/21/59/06/380215906.db2.gz AUVGYQPCRQZPBQ-UHFFFAOYSA-N -1 1 288.269 2.592 20 0 CFADMM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1c(F)ccc([O-])c1F ZINC000335999701 380217245 /nfs/dbraw/zinc/21/72/45/380217245.db2.gz ZKTFXHWBQSNKHD-PWSUYJOCSA-N -1 1 289.281 2.956 20 0 CFADMM CC(C)CC(C)(C)CNC(=O)c1cncc([O-])c1 ZINC000176350765 380218835 /nfs/dbraw/zinc/21/88/35/380218835.db2.gz DEJISZGDSKVHCC-UHFFFAOYSA-N -1 1 250.342 2.589 20 0 CFADMM C[C@@H]1CC[C@H](CNC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000336003055 380222774 /nfs/dbraw/zinc/22/27/74/380222774.db2.gz ZRYHBRODVSAHBV-BDAKNGLRSA-N -1 1 269.291 2.836 20 0 CFADMM O=C(NC[C@H]1CCCC[C@H]1O)c1cc2ccccc2cc1[O-] ZINC000177552873 380353185 /nfs/dbraw/zinc/35/31/85/380353185.db2.gz RFNSHZSDGFJQAG-GDBMZVCRSA-N -1 1 299.370 2.826 20 0 CFADMM COc1cc(C(=O)N[C@@H]2CC[C@H](C)C2)cc(Cl)c1[O-] ZINC000336549305 380451312 /nfs/dbraw/zinc/45/13/12/380451312.db2.gz SGZCNTMJOVEEQG-WCBMZHEXSA-N -1 1 283.755 2.973 20 0 CFADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]2COCC[C@H]21 ZINC000336523749 380408554 /nfs/dbraw/zinc/40/85/54/380408554.db2.gz DIDMJMGCGLSJPS-GXFFZTMASA-N -1 1 295.766 2.687 20 0 CFADMM CCSCc1ccnc(NC(=O)c2cncc([O-])c2)c1 ZINC000179190533 380517324 /nfs/dbraw/zinc/51/73/24/380517324.db2.gz VCVJJDWJUGOUME-UHFFFAOYSA-N -1 1 289.360 2.688 20 0 CFADMM Cc1csc(NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC000336557279 380462661 /nfs/dbraw/zinc/46/26/61/380462661.db2.gz UJSCBUQFYPMJIB-UHFFFAOYSA-N -1 1 270.260 2.688 20 0 CFADMM COCC[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180478321 380666199 /nfs/dbraw/zinc/66/61/99/380666199.db2.gz KJOXPLSHODOTDP-MRVPVSSYSA-N -1 1 291.269 2.566 20 0 CFADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(O)c2F)c1F ZINC000180521868 380671070 /nfs/dbraw/zinc/67/10/70/380671070.db2.gz VYAPVWLUGURKHC-UHFFFAOYSA-N -1 1 299.298 2.780 20 0 CFADMM CC[C@H](COC)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180575945 380678356 /nfs/dbraw/zinc/67/83/56/380678356.db2.gz HZMDENOTPVUQCX-SECBINFHSA-N -1 1 291.269 2.566 20 0 CFADMM C[C@H](CCc1cccn1C)NC(=O)c1ccc([O-])cc1F ZINC000181239655 380761752 /nfs/dbraw/zinc/76/17/52/380761752.db2.gz BDWANHTZYRPGTP-LLVKDONJSA-N -1 1 290.338 2.621 20 0 CFADMM CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000287319387 380802856 /nfs/dbraw/zinc/80/28/56/380802856.db2.gz OCOZBPHSTXFTAI-BXUZGUMPSA-N -1 1 275.348 2.660 20 0 CFADMM C[C@@H]1CC[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@@H](C)C1 ZINC000287518342 380854956 /nfs/dbraw/zinc/85/49/56/380854956.db2.gz RFETUZAGFRBPHN-UHIISALHSA-N -1 1 275.348 2.516 20 0 CFADMM Cc1cnc(C(=O)NCCc2cc3ccccc3[nH]2)c([O-])c1 ZINC000358551006 380917339 /nfs/dbraw/zinc/91/73/39/380917339.db2.gz XTGTZVFAWHTJPE-UHFFFAOYSA-N -1 1 295.342 2.549 20 0 CFADMM CCCCCS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000358708842 381025184 /nfs/dbraw/zinc/02/51/84/381025184.db2.gz YPIMDIUQSLFWNT-UHFFFAOYSA-N -1 1 299.440 2.891 20 0 CFADMM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cncc([O-])c2)C1 ZINC000368529322 381056539 /nfs/dbraw/zinc/05/65/39/381056539.db2.gz ABUUUEJIKWDQDF-MQMHXKEQSA-N -1 1 282.343 2.772 20 0 CFADMM Cc1ccc(CN(C)C(=O)c2ncc(C)cc2[O-])cc1 ZINC000358735266 381043796 /nfs/dbraw/zinc/04/37/96/381043796.db2.gz DDYJZBHIQJVADS-UHFFFAOYSA-N -1 1 270.332 2.676 20 0 CFADMM C[C@@H](N=c1ccc(N2CCCC2)n[n-]1)c1ccccc1 ZINC000354046908 381044432 /nfs/dbraw/zinc/04/44/32/381044432.db2.gz HFSJXNSBHDOKDJ-CYBMUJFWSA-N -1 1 268.364 2.672 20 0 CFADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccsc1)OCO2 ZINC000358886030 381139241 /nfs/dbraw/zinc/13/92/41/381139241.db2.gz KTQDNKHWMOQNER-UHFFFAOYSA-N -1 1 297.357 2.586 20 0 CFADMM CCc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cc(=O)[nH]1 ZINC000182871958 381177144 /nfs/dbraw/zinc/17/71/44/381177144.db2.gz QQIAVAAGOJENHP-UHFFFAOYSA-N -1 1 292.722 2.549 20 0 CFADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc2nn[nH]c21 ZINC000183335039 381255338 /nfs/dbraw/zinc/25/53/38/381255338.db2.gz YKTBQKFRLRGMST-JTQLQIEISA-N -1 1 298.321 2.930 20 0 CFADMM CCOC1CC(N(C)C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000290055248 381280587 /nfs/dbraw/zinc/28/05/87/381280587.db2.gz AOWAKXCGEIJIEY-UHFFFAOYSA-N -1 1 283.755 2.685 20 0 CFADMM COCC[C@@H](C)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000412471071 381311426 /nfs/dbraw/zinc/31/14/26/381311426.db2.gz ZMYIEPHHWVIRHE-GFCCVEGCSA-N -1 1 287.359 2.948 20 0 CFADMM CCC[C@@H](NC(=O)c1c(C)oc2ccccc21)c1nn[n-]n1 ZINC000184440222 381416229 /nfs/dbraw/zinc/41/62/29/381416229.db2.gz GTMMDJICKZDITE-LLVKDONJSA-N -1 1 299.334 2.526 20 0 CFADMM CSC[C@H](C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000354734254 381427676 /nfs/dbraw/zinc/42/76/76/381427676.db2.gz DXEKNADWHYLEIS-VIFPVBQESA-N -1 1 291.376 2.720 20 0 CFADMM C[C@H]1OCCC[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000288943060 197197770 /nfs/dbraw/zinc/19/77/70/197197770.db2.gz BDVJNYYROYQXIU-PSASIEDQSA-N -1 1 278.283 2.864 20 0 CFADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C)cn1 ZINC000184460197 381418366 /nfs/dbraw/zinc/41/83/66/381418366.db2.gz ZFPGNVXDROKAMX-UHFFFAOYSA-N -1 1 292.360 2.590 20 0 CFADMM Cc1ccc(-c2cc(=NC(=O)c3cncs3)[nH][n-]2)s1 ZINC000354788044 381454757 /nfs/dbraw/zinc/45/47/57/381454757.db2.gz GHRFAOJDSAAKMG-UHFFFAOYSA-N -1 1 290.373 2.577 20 0 CFADMM CCN(C(=O)c1csc(=NC2CC2)[n-]1)C1CC(C)(C)C1 ZINC000412809881 381457353 /nfs/dbraw/zinc/45/73/53/381457353.db2.gz JJTOCCDGHWDEGA-UHFFFAOYSA-N -1 1 293.436 2.790 20 0 CFADMM CCCc1cc(=O)[n-]c(SCCc2cncs2)n1 ZINC000412977009 381514108 /nfs/dbraw/zinc/51/41/08/381514108.db2.gz JXMNDQNJCPKMBO-UHFFFAOYSA-N -1 1 281.406 2.926 20 0 CFADMM COc1ccc(-c2nc(-c3ccc(OC)nc3)no2)c([O-])c1 ZINC000184856940 381489095 /nfs/dbraw/zinc/48/90/95/381489095.db2.gz BMGKDVYHSGLTON-UHFFFAOYSA-N -1 1 299.286 2.521 20 0 CFADMM C[C@@H](CC1CC1)NC(=O)c1c(F)ccc([O-])c1F ZINC000348532497 381613540 /nfs/dbraw/zinc/61/35/40/381613540.db2.gz PPKPVMWZHYIQMF-ZETCQYMHSA-N -1 1 255.264 2.589 20 0 CFADMM C[C@H](NC(=O)c1c([O-])cccc1F)C1CCCC1 ZINC000185412772 381625970 /nfs/dbraw/zinc/62/59/70/381625970.db2.gz IJUZCNGKARXWFR-VIFPVBQESA-N -1 1 251.301 2.840 20 0 CFADMM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000359937930 381690836 /nfs/dbraw/zinc/69/08/36/381690836.db2.gz JSBVKJKYHVIHBP-VHSXEESVSA-N -1 1 289.347 2.679 20 0 CFADMM C[C@H]1C[C@@H](c2cccs2)CN1C(=O)c1ncccc1[O-] ZINC000371764996 381695475 /nfs/dbraw/zinc/69/54/75/381695475.db2.gz JDIMNZQCUXQQMD-WDEREUQCSA-N -1 1 288.372 2.867 20 0 CFADMM O=S(=O)([N-]c1ccc(Cl)cc1OC(F)F)C1CC1 ZINC000185660353 381698150 /nfs/dbraw/zinc/69/81/50/381698150.db2.gz UCZKOZCWGWQXGI-UHFFFAOYSA-N -1 1 297.710 2.846 20 0 CFADMM C[C@H](CC(=O)Nc1nc(-c2ccco2)n[nH]1)c1cccnc1 ZINC000359957071 381698795 /nfs/dbraw/zinc/69/87/95/381698795.db2.gz FWZKWUIUZMVKSP-SNVBAGLBSA-N -1 1 297.318 2.592 20 0 CFADMM C[C@H]1[C@@H](N=c2nc(-c3ccccc3)[n-]s2)CCCN1C ZINC000343422183 381699126 /nfs/dbraw/zinc/69/91/26/381699126.db2.gz AJDMFLNQDHSTOV-AAEUAGOBSA-N -1 1 288.420 2.522 20 0 CFADMM COc1ccc(O)c(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000348848643 381737544 /nfs/dbraw/zinc/73/75/44/381737544.db2.gz OJZRJAFGELIJGN-UHFFFAOYSA-N -1 1 295.241 2.637 20 0 CFADMM CC[C@H](C)CCCCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000680215267 542289467 /nfs/dbraw/zinc/28/94/67/542289467.db2.gz RWJIJQHVHXIRGJ-STQMWFEESA-N -1 1 293.415 2.512 20 0 CFADMM Cc1c(NS(=O)(=O)c2ccsc2)cccc1C(=O)[O-] ZINC000349075509 381815298 /nfs/dbraw/zinc/81/52/98/381815298.db2.gz ATJIBFJPJJZCAA-UHFFFAOYSA-N -1 1 297.357 2.556 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)C[C@H](C)CC(C)C)[n-]1 ZINC000415638719 381864990 /nfs/dbraw/zinc/86/49/90/381864990.db2.gz OQYBEHXZCZAIHG-SNVBAGLBSA-N -1 1 281.356 2.597 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)C[C@H](C)CC(C)C)n1 ZINC000415638719 381864993 /nfs/dbraw/zinc/86/49/93/381864993.db2.gz OQYBEHXZCZAIHG-SNVBAGLBSA-N -1 1 281.356 2.597 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)[C@H]2CCCC[C@H]2CC)[n-]1 ZINC000415635244 381865138 /nfs/dbraw/zinc/86/51/38/381865138.db2.gz CKIBRAWFYXDMAB-MNOVXSKESA-N -1 1 293.367 2.741 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2CCCC[C@H]2CC)n1 ZINC000415635244 381865141 /nfs/dbraw/zinc/86/51/41/381865141.db2.gz CKIBRAWFYXDMAB-MNOVXSKESA-N -1 1 293.367 2.741 20 0 CFADMM CC(C)c1ccc2occ(C(=O)N=c3ccc(O)n[n-]3)c2c1 ZINC000343748000 381921303 /nfs/dbraw/zinc/92/13/03/381921303.db2.gz YMKZDSOWCZWIPQ-UHFFFAOYSA-N -1 1 297.314 2.726 20 0 CFADMM CCSc1cccc(F)c1[N-]C(=O)c1ccncn1 ZINC000362181172 381947274 /nfs/dbraw/zinc/94/72/74/381947274.db2.gz KLCRCDDWNVBSTQ-UHFFFAOYSA-N -1 1 277.324 2.980 20 0 CFADMM CCN(C(=O)c1c[n-]c2cc(OC)ccc2c1=O)C(C)C ZINC000299469392 381954433 /nfs/dbraw/zinc/95/44/33/381954433.db2.gz YJRIIIRZDMOCAE-UHFFFAOYSA-N -1 1 288.347 2.820 20 0 CFADMM Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CCCC3(CCC3)C2)n1 ZINC000373431605 382003133 /nfs/dbraw/zinc/00/31/33/382003133.db2.gz MKMXWWAWDRRCBU-LBPRGKRZSA-N -1 1 261.369 2.818 20 0 CFADMM CN(C)[C@@H](C[N-]C(=O)C(F)(F)F)c1ccccc1Cl ZINC000299698866 382028416 /nfs/dbraw/zinc/02/84/16/382028416.db2.gz WXUXIXHWLOFFOI-JTQLQIEISA-N -1 1 294.704 2.621 20 0 CFADMM C[C@H](F)CCN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000351995702 382115355 /nfs/dbraw/zinc/11/53/55/382115355.db2.gz RFTGGCGPHDTOBW-QMMMGPOBSA-N -1 1 269.345 2.577 20 0 CFADMM CC[C@H](C)C(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000357338961 382118009 /nfs/dbraw/zinc/11/80/09/382118009.db2.gz AJKATEMXUQMUAB-QMMMGPOBSA-N -1 1 263.366 2.853 20 0 CFADMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000357347651 382124953 /nfs/dbraw/zinc/12/49/53/382124953.db2.gz VYHHEMBSLFSIBV-HTQZYQBOSA-N -1 1 295.326 2.817 20 0 CFADMM C[C@@H]1CCCC[C@@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000335131152 296325969 /nfs/dbraw/zinc/32/59/69/296325969.db2.gz SYKCDQYOKVJNHO-RQJHMYQMSA-N -1 1 276.262 2.588 20 0 CFADMM [O-]c1cccc(CN[C@@H](CCO)c2ccco2)c1Cl ZINC000293370856 382097222 /nfs/dbraw/zinc/09/72/22/382097222.db2.gz VJCRGARHYDGHPU-NSHDSACASA-N -1 1 281.739 2.852 20 0 CFADMM CCOC(=O)c1cnc(NC(=O)CCCC2CCCC2)[n-]1 ZINC000352158959 382200482 /nfs/dbraw/zinc/20/04/82/382200482.db2.gz PUDXZMCYMIETSN-UHFFFAOYSA-N -1 1 293.367 2.885 20 0 CFADMM CCOC(=O)c1c[n-]c(NC(=O)CCCC2CCCC2)n1 ZINC000352158959 382200487 /nfs/dbraw/zinc/20/04/87/382200487.db2.gz PUDXZMCYMIETSN-UHFFFAOYSA-N -1 1 293.367 2.885 20 0 CFADMM Cc1ccc(-c2cc(C(=O)Nc3cccnc3C)[nH]n2)o1 ZINC000362707009 382208480 /nfs/dbraw/zinc/20/84/80/382208480.db2.gz KIEGNCCLPKICMD-UHFFFAOYSA-N -1 1 282.303 2.934 20 0 CFADMM COC(=O)c1c[n-]c(SCc2ccc(F)cc2F)n1 ZINC000187590250 382218472 /nfs/dbraw/zinc/21/84/72/382218472.db2.gz BPQYKTUMLDYZNE-UHFFFAOYSA-N -1 1 284.287 2.767 20 0 CFADMM C[C@@H]1CCC[C@@H]1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000187601212 382221693 /nfs/dbraw/zinc/22/16/93/382221693.db2.gz DBLVEIDEFKTXLP-RNFRBKRXSA-N -1 1 276.262 2.588 20 0 CFADMM Cc1cc(CNCc2cccc([O-])c2Cl)on1 ZINC000293606119 382194260 /nfs/dbraw/zinc/19/42/60/382194260.db2.gz PHENAZWPSMLEDG-UHFFFAOYSA-N -1 1 252.701 2.632 20 0 CFADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H](c2ccco2)C1 ZINC000377632787 382307381 /nfs/dbraw/zinc/30/73/81/382307381.db2.gz VORVLHLOTIAFKT-VIFPVBQESA-N -1 1 293.269 2.893 20 0 CFADMM COCC(C)(C)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000293862540 382311790 /nfs/dbraw/zinc/31/17/90/382311790.db2.gz DKMYZNSYZRMWCF-UHFFFAOYSA-N -1 1 271.744 2.543 20 0 CFADMM O=c1cc(C2CC2)nc(SCc2cn3ccccc3n2)[n-]1 ZINC000188131273 382352739 /nfs/dbraw/zinc/35/27/39/382352739.db2.gz PYWRLVHUTORJLS-UHFFFAOYSA-N -1 1 298.371 3.000 20 0 CFADMM CCc1ccccc1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000188265100 382379211 /nfs/dbraw/zinc/37/92/11/382379211.db2.gz BJLKVYCMOXGKFU-UHFFFAOYSA-N -1 1 298.268 2.567 20 0 CFADMM COc1cc(C(=O)Nc2nccs2)cc(Cl)c1[O-] ZINC000357973101 382394497 /nfs/dbraw/zinc/39/44/97/382394497.db2.gz KAGTYXAJDOXDFL-UHFFFAOYSA-N -1 1 284.724 2.763 20 0 CFADMM CN1CCC[C@@H]1CN=c1nc(C2CCCCC2)[n-]s1 ZINC000420579641 382409963 /nfs/dbraw/zinc/40/99/63/382409963.db2.gz DBFYQRSZOIXWSW-GFCCVEGCSA-N -1 1 280.441 2.514 20 0 CFADMM O=C(NC[C@@H]1CCC[C@H](O)C1)c1ccc2ccccc2c1[O-] ZINC000304608783 382413327 /nfs/dbraw/zinc/41/33/27/382413327.db2.gz DMZILCMSXLVPOB-OCCSQVGLSA-N -1 1 299.370 2.826 20 0 CFADMM CC[C@H](C)CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000420653516 382447163 /nfs/dbraw/zinc/44/71/63/382447163.db2.gz OKCCQOSJACLENB-JTQLQIEISA-N -1 1 286.379 2.741 20 0 CFADMM CN(CCC(=O)[O-])Cc1ncc(-c2ccccc2Cl)o1 ZINC000378205257 382416659 /nfs/dbraw/zinc/41/66/59/382416659.db2.gz ZXGSRYHVKQBLKM-UHFFFAOYSA-N -1 1 294.738 2.902 20 0 CFADMM CCc1cccnc1[N-]S(=O)(=O)Cc1ccccc1C ZINC000358159380 382476743 /nfs/dbraw/zinc/47/67/43/382476743.db2.gz BQOIVMGSGVDBBJ-UHFFFAOYSA-N -1 1 290.388 2.894 20 0 CFADMM C[C@H]1CC[C@H]1NC(=O)c1cc(Br)ccc1[O-] ZINC000309430741 382489337 /nfs/dbraw/zinc/48/93/37/382489337.db2.gz LVJWOFQHSFXJQE-OIBJUYFYSA-N -1 1 284.153 2.683 20 0 CFADMM CC(C)[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)CCCO1 ZINC000294297051 382499072 /nfs/dbraw/zinc/49/90/72/382499072.db2.gz HQYZIRIWJVQBQH-LBPRGKRZSA-N -1 1 299.317 2.558 20 0 CFADMM C[C@H]1CN(Cc2c(F)cccc2F)CC[C@H]1C(=O)[O-] ZINC000311416162 382504855 /nfs/dbraw/zinc/50/48/55/382504855.db2.gz APODXQBWIHGFJQ-VHSXEESVSA-N -1 1 269.291 2.507 20 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CCOC(=O)c1csc(=NC2CCC(F)(F)CC2)[n-]1 ZINC000389985409 382618089 /nfs/dbraw/zinc/61/80/89/382618089.db2.gz ZYUFWJNEYMCDLG-UHFFFAOYSA-N -1 1 290.335 2.732 20 0 CFADMM Oc1cccc(CN2CCC(C3OCCO3)CC2)c1Cl ZINC000295333041 382619339 /nfs/dbraw/zinc/61/93/39/382619339.db2.gz MAVHFUCTAITPKR-UHFFFAOYSA-N -1 1 297.782 2.631 20 0 CFADMM CC(C)c1cccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)n1 ZINC000353736891 382621429 /nfs/dbraw/zinc/62/14/29/382621429.db2.gz KFOIHKDLESSDLV-UHFFFAOYSA-N -1 1 299.256 2.594 20 0 CFADMM O=C(Nc1cncc2ccccc21)c1ccc(O)cc1[O-] ZINC000396426678 382631324 /nfs/dbraw/zinc/63/13/24/382631324.db2.gz AQWXPTUZJCOFNT-UHFFFAOYSA-N -1 1 280.283 2.898 20 0 CFADMM CC[C@]1(CO)CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000189268534 382578608 /nfs/dbraw/zinc/57/86/08/382578608.db2.gz YEUUECNNXMIFJJ-GOSISDBHSA-N -1 1 299.370 2.923 20 0 CFADMM CCCn1nccc1NC(=O)c1ccc(CC)cc1[O-] ZINC000190865207 382683174 /nfs/dbraw/zinc/68/31/74/382683174.db2.gz IPEAQKYYOQFQEC-UHFFFAOYSA-N -1 1 273.336 2.813 20 0 CFADMM CO[C@H]1CC[C@H](NC(=O)c2cc3ccccc3cc2[O-])C1 ZINC000191638807 382701779 /nfs/dbraw/zinc/70/17/79/382701779.db2.gz AJNFCIAFWNEYQQ-KBPBESRZSA-N -1 1 285.343 2.843 20 0 CFADMM Cc1cc(=O)[n-]c([C@H](C)[N@@H+](C)CCc2ccccc2)n1 ZINC000192546652 382710050 /nfs/dbraw/zinc/71/00/50/382710050.db2.gz CNKCDTQFXXEDAY-ZDUSSCGKSA-N -1 1 271.364 2.726 20 0 CFADMM CC(C)Oc1ncccc1NC(=O)c1ccc(O)cc1[O-] ZINC000193328317 382718748 /nfs/dbraw/zinc/71/87/48/382718748.db2.gz FSLJSYHAFDXXPB-UHFFFAOYSA-N -1 1 288.303 2.532 20 0 CFADMM CCn1c2ccc(C(=O)[O-])cc2nc1CN(C)CC(C)C ZINC000575065381 382725780 /nfs/dbraw/zinc/72/57/80/382725780.db2.gz IERZXVTXRGGNSR-UHFFFAOYSA-N -1 1 289.379 2.842 20 0 CFADMM [O-]c1cccc(CNCc2nccs2)c1Cl ZINC000336893272 382738481 /nfs/dbraw/zinc/73/84/81/382738481.db2.gz KOLMKJXTQOYUKS-UHFFFAOYSA-N -1 1 254.742 2.792 20 0 CFADMM O=C(Nc1ccc([O-])c(F)c1F)C1(C2CC2)CCOCC1 ZINC000575333779 382759126 /nfs/dbraw/zinc/75/91/26/382759126.db2.gz WNSSIOQVYHPACT-UHFFFAOYSA-N -1 1 297.301 2.816 20 0 CFADMM O=C(c1ncccc1[O-])N1CCSC12CCCCC2 ZINC000575779044 382799434 /nfs/dbraw/zinc/79/94/34/382799434.db2.gz KZJUORMXVWVMFP-UHFFFAOYSA-N -1 1 278.377 2.637 20 0 CFADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000229607755 382852813 /nfs/dbraw/zinc/85/28/13/382852813.db2.gz BVRQQTZSENCWKV-MRVPVSSYSA-N -1 1 291.244 2.946 20 0 CFADMM CCN(C(=O)c1ccc([O-])cc1F)C1CCCC1 ZINC000226270665 382826125 /nfs/dbraw/zinc/82/61/25/382826125.db2.gz NPMSPNRMFSNIDA-UHFFFAOYSA-N -1 1 251.301 2.936 20 0 CFADMM O=C([N-][C@@H]1CCc2ccccc21)C(F)(F)C(F)F ZINC000226600426 382830049 /nfs/dbraw/zinc/83/00/49/382830049.db2.gz SSVZPQQQBUZJBN-SECBINFHSA-N -1 1 261.218 2.691 20 0 CFADMM Cc1ccc(SCCNC(=O)c2ncccc2[O-])cc1 ZINC000338020931 382904984 /nfs/dbraw/zinc/90/49/84/382904984.db2.gz ZJDBJLBWLBEXNR-UHFFFAOYSA-N -1 1 288.372 2.618 20 0 CFADMM CSCC(C)(C)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000337661781 382853102 /nfs/dbraw/zinc/85/31/02/382853102.db2.gz QYFLPAWFPLICIM-UHFFFAOYSA-N -1 1 295.433 2.888 20 0 CFADMM C[C@H](CO)CCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000230318863 382859080 /nfs/dbraw/zinc/85/90/80/382859080.db2.gz PNZTXNJXANFQTE-LBPRGKRZSA-N -1 1 287.359 2.684 20 0 CFADMM CC1=CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000230812842 382863028 /nfs/dbraw/zinc/86/30/28/382863028.db2.gz FHAVBUITEYEFNY-UHFFFAOYSA-N -1 1 251.713 2.838 20 0 CFADMM CO[C@@H](C)c1nc(=N[C@@H]2CCCC(F)(F)C2)s[n-]1 ZINC000337871035 382872441 /nfs/dbraw/zinc/87/24/41/382872441.db2.gz NTCHHJTVNTVYRU-JGVFFNPUSA-N -1 1 277.340 2.657 20 0 CFADMM CO[C@@H](C)c1nc(=NCC2(C3CC3)CCC2)s[n-]1 ZINC000337875864 382872671 /nfs/dbraw/zinc/87/26/71/382872671.db2.gz QNCDCQFSDDCYPC-VIFPVBQESA-N -1 1 267.398 2.660 20 0 CFADMM CN(Cc1c(F)cccc1Cl)[C@H](C(=O)[O-])C1CC1 ZINC000577856654 382873325 /nfs/dbraw/zinc/87/33/25/382873325.db2.gz FNYVEMNIOFMWCZ-LBPRGKRZSA-N -1 1 271.719 2.774 20 0 CFADMM CO[C@H](C)c1nc(=NCC2(C)CCC(OC)CC2)s[n-]1 ZINC000337937567 382874867 /nfs/dbraw/zinc/87/48/67/382874867.db2.gz GDTYUUANEYHSJD-CDWSIMAYSA-N -1 1 299.440 2.675 20 0 CFADMM CCOC(=O)CC(C)(C)CCSc1ncc(C)c(=O)[n-]1 ZINC000578084216 382890675 /nfs/dbraw/zinc/89/06/75/382890675.db2.gz SPAXZPNIVZYDTC-UHFFFAOYSA-N -1 1 298.408 2.952 20 0 CFADMM COc1ccc([C@H](NC(=O)c2ncccc2[O-])C2CC2)cc1 ZINC000337992000 382892294 /nfs/dbraw/zinc/89/22/94/382892294.db2.gz CKXPZLGEJJDPEV-OAHLLOKOSA-N -1 1 298.342 2.677 20 0 CFADMM C[C@@H]1CCN(Cc2nc(C3CC3)cs2)C[C@@H]1C(=O)[O-] ZINC000578358166 382914308 /nfs/dbraw/zinc/91/43/08/382914308.db2.gz SNRQUZDSXSXBTJ-KOLCDFICSA-N -1 1 280.393 2.563 20 0 CFADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](CCCO)C1 ZINC000457155246 382972696 /nfs/dbraw/zinc/97/26/96/382972696.db2.gz PUHGWKLSDRJOFR-CYBMUJFWSA-N -1 1 299.370 2.780 20 0 CFADMM O=C([O-])[C@@H](c1ccsc1)N1CCOC[C@@H](C2CCC2)C1 ZINC000579015947 382975955 /nfs/dbraw/zinc/97/59/55/382975955.db2.gz JUEGHJXDJMRCIG-UONOGXRCSA-N -1 1 295.404 2.622 20 0 CFADMM O=C(NCCC1CC(F)(F)C1)c1c([O-])cccc1F ZINC000457191669 382984965 /nfs/dbraw/zinc/98/49/65/382984965.db2.gz TXSAQSNJHVYUFU-UHFFFAOYSA-N -1 1 273.254 2.697 20 0 CFADMM Cc1ccc(CN2CCc3c(cccc3C(=O)[O-])C2)c(C)n1 ZINC000579142306 382987710 /nfs/dbraw/zinc/98/77/10/382987710.db2.gz MFEFBPCONJTPQP-UHFFFAOYSA-N -1 1 296.370 2.955 20 0 CFADMM O=C(NCc1cc(F)c(Cl)cc1F)c1ncccc1[O-] ZINC000447743507 383002251 /nfs/dbraw/zinc/00/22/51/383002251.db2.gz HGWYZXIMROMFHU-UHFFFAOYSA-N -1 1 298.676 2.649 20 0 CFADMM Cc1nc2ccc(CN=c3[n-]nc(C)n3C3CC3)cc2s1 ZINC000551091355 383034169 /nfs/dbraw/zinc/03/41/69/383034169.db2.gz QWTODNOEZWUDSJ-UHFFFAOYSA-N -1 1 299.403 2.874 20 0 CFADMM CC1([N-]S(=O)(=O)c2cc(Cl)ccc2F)CCC1 ZINC000551212693 383036127 /nfs/dbraw/zinc/03/61/27/383036127.db2.gz OSPVKZQVIMWLOW-UHFFFAOYSA-N -1 1 277.748 2.700 20 0 CFADMM CO[C@H]1C[C@H](C(=O)[O-])N(Cc2ccc3ccccc3c2)C1 ZINC000579720538 383046671 /nfs/dbraw/zinc/04/66/71/383046671.db2.gz OPQRHZARTFDMRY-JKSUJKDBSA-N -1 1 285.343 2.514 20 0 CFADMM CO[C@@H](C)c1nc(=NC[C@@H]2CCCC2(C)C)s[n-]1 ZINC000338808139 383058564 /nfs/dbraw/zinc/05/85/64/383058564.db2.gz 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383255674 /nfs/dbraw/zinc/25/56/74/383255674.db2.gz IUHAHQQFKVTFPA-SSDOTTSWSA-N -1 1 256.227 2.853 20 0 CFADMM O=c1c2c([n-]n1Cc1cc(F)ccc1F)CCCC2 ZINC000634596657 383257992 /nfs/dbraw/zinc/25/79/92/383257992.db2.gz MIYIRGIKFSUVLG-LLVKDONJSA-N -1 1 264.275 2.853 20 0 CFADMM CCc1c(=O)n(-c2ccncn2)[n-]c1-c1cccc(C)c1 ZINC000634600854 383262685 /nfs/dbraw/zinc/26/26/85/383262685.db2.gz VNZSBLKYUBNNOD-CYBMUJFWSA-N -1 1 280.331 2.562 20 0 CFADMM C[C@@H]1CCc2[n-]n(-c3ccnc4ccccc43)c(=O)c21 ZINC000634603342 383265744 /nfs/dbraw/zinc/26/57/44/383265744.db2.gz WUIRCVXGQGAHJA-MEBBXXQBSA-N -1 1 265.316 2.984 20 0 CFADMM CCCc1c(C)[n-]n(CC(F)(F)C(F)(F)F)c1=O ZINC000634604484 383266489 /nfs/dbraw/zinc/26/64/89/383266489.db2.gz HUDFIHZXBYGTBT-SSDOTTSWSA-N -1 1 272.217 2.818 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3cc(F)c(F)cc3F)c(=O)c21 ZINC000634612389 383272649 /nfs/dbraw/zinc/27/26/49/383272649.db2.gz XKNRDISAEKMFAV-QTTZVWFDSA-N -1 1 268.238 2.853 20 0 CFADMM O=c1c2c([n-]n1CCc1ccccc1F)CCCC2 ZINC000634612246 383273145 /nfs/dbraw/zinc/27/31/45/383273145.db2.gz SNWXTEQZEHGJOZ-GFCCVEGCSA-N -1 1 260.312 2.757 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3cc(F)c(F)c(F)c3)c(=O)c21 ZINC000634613872 383274655 /nfs/dbraw/zinc/27/46/55/383274655.db2.gz KSBARJLGEPJBJP-UPONEAKYSA-N -1 1 268.238 2.853 20 0 CFADMM C[C@H]1CCc2[n-]n(-c3nc(C(F)(F)F)cs3)c(=O)c21 ZINC000634615521 383275459 /nfs/dbraw/zinc/27/54/59/383275459.db2.gz JGYFODRZABAQID-YLWLKBPMSA-N -1 1 289.282 2.911 20 0 CFADMM Cc1cc(=O)n(-c2cc(C)ccc2Br)[n-]1 ZINC000634617698 383276591 /nfs/dbraw/zinc/27/65/91/383276591.db2.gz VQRKFHAQFQZMHB-UHFFFAOYSA-N -1 1 267.126 2.870 20 0 CFADMM CC[C@@H](C)c1n[nH]c([C@H](C)N=c2nc(C(C)C)[n-]s2)n1 ZINC000566832235 383215074 /nfs/dbraw/zinc/21/50/74/383215074.db2.gz XQBCYJSMZAZXNZ-BDAKNGLRSA-N -1 1 294.428 2.888 20 0 CFADMM CC[C@@H](C)c1nc([C@H](C)N=c2nc(C(C)C)[n-]s2)n[nH]1 ZINC000566832235 383215082 /nfs/dbraw/zinc/21/50/82/383215082.db2.gz XQBCYJSMZAZXNZ-BDAKNGLRSA-N -1 1 294.428 2.888 20 0 CFADMM CC(C)OCCn1[n-]c2c(c1=O)CCCCCC2 ZINC000634619985 383279148 /nfs/dbraw/zinc/27/91/48/383279148.db2.gz PRCNTBRHSPDNGF-GFCCVEGCSA-N -1 1 252.358 2.580 20 0 CFADMM CCCc1[n-]n([C@@H]2CCOC(C)(C)C2)c(=O)c1CC ZINC000634621375 383280693 /nfs/dbraw/zinc/28/06/93/383280693.db2.gz GLWINYRKCJRHKK-NEPJUHHUSA-N -1 1 266.385 2.969 20 0 CFADMM CCCc1c(C)[n-]n([C@@H]2CCOC(C)(C)C2)c1=O ZINC000634621453 383280707 /nfs/dbraw/zinc/28/07/07/383280707.db2.gz HQWXSFBCIYZICM-NEPJUHHUSA-N -1 1 252.358 2.578 20 0 CFADMM CCCc1c(C)[n-]n([C@H]2CCOC(C)(C)C2)c1=O ZINC000634621455 383280724 /nfs/dbraw/zinc/28/07/24/383280724.db2.gz HQWXSFBCIYZICM-RYUDHWBXSA-N -1 1 252.358 2.578 20 0 CFADMM CCc1c(C)[n-]n(-c2ccc(F)cc2OC)c1=O ZINC000634625026 383284065 /nfs/dbraw/zinc/28/40/65/383284065.db2.gz WSRLPJCKSJOAHW-JTQLQIEISA-N -1 1 250.273 2.583 20 0 CFADMM C[C@H](n1[n-]c(=O)c2cc(F)c(F)cc2c1=O)C(C)(C)C ZINC000634630014 383288246 /nfs/dbraw/zinc/28/82/46/383288246.db2.gz JWUWBLAFQXGXGT-ZETCQYMHSA-N -1 1 282.290 2.987 20 0 CFADMM O=c1c2c([n-]n1[C@H]1CCc3c1cccc3F)CCC2 ZINC000634632606 383290325 /nfs/dbraw/zinc/29/03/25/383290325.db2.gz VHZBDNYZBSQZPY-RISCZKNCSA-N -1 1 258.296 2.811 20 0 CFADMM CO[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000521258363 383292663 /nfs/dbraw/zinc/29/26/63/383292663.db2.gz ZBNGDUQRIRLLSB-NSHDSACASA-N -1 1 283.755 2.649 20 0 CFADMM O=c1c2c([n-]n1CCCOCc1ccccc1)CCCC2 ZINC000634634526 383293663 /nfs/dbraw/zinc/29/36/63/383293663.db2.gz AOKBFUDRENVGMO-OAHLLOKOSA-N -1 1 286.375 2.982 20 0 CFADMM O=C([O-])c1cnc2ccccc2c1N1CCO[C@@H](C2CC2)C1 ZINC000521881324 383313484 /nfs/dbraw/zinc/31/34/84/383313484.db2.gz ZLXBVABCUSRLAI-OAHLLOKOSA-N -1 1 298.342 2.548 20 0 CFADMM CCOC(=O)c1nc(C)[nH]c1NC(=O)C1CCCCCC1 ZINC000525663636 383403251 /nfs/dbraw/zinc/40/32/51/383403251.db2.gz DYPIRAFFMXEMIL-UHFFFAOYSA-N -1 1 293.367 2.804 20 0 CFADMM COc1cc(C(=O)NC2(C3CC3)CC2)cc(Cl)c1[O-] ZINC000525951172 383411543 /nfs/dbraw/zinc/41/15/43/383411543.db2.gz BPXINWWRRKITNR-UHFFFAOYSA-N -1 1 281.739 2.727 20 0 CFADMM C[C@H](C1CC1)N(Cc1nc(C(=O)[O-])cs1)C1CC1 ZINC000568061435 383351168 /nfs/dbraw/zinc/35/11/68/383351168.db2.gz GTXIVTKKOAPHBG-MRVPVSSYSA-N -1 1 266.366 2.604 20 0 CFADMM CCn1cc(CN(C)C(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000524349264 383370425 /nfs/dbraw/zinc/37/04/25/383370425.db2.gz WUTWYFHKKRUYSO-UHFFFAOYSA-N -1 1 293.754 2.534 20 0 CFADMM Cc1nc(CCSc2ncc(C)c(=O)[n-]2)cs1 ZINC000568272247 383386394 /nfs/dbraw/zinc/38/63/94/383386394.db2.gz UFZFFHFVEHNDBO-UHFFFAOYSA-N -1 1 267.379 2.590 20 0 CFADMM CC/C=C\C[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000568979278 383455959 /nfs/dbraw/zinc/45/59/59/383455959.db2.gz BKKJZDDBNIXFNF-UTCJRWHESA-N -1 1 282.390 2.541 20 0 CFADMM C[C@@H](c1nc(C(C)(C)C)no1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000569108624 383467822 /nfs/dbraw/zinc/46/78/22/383467822.db2.gz NVEYTALIWQFWOM-ZUZCIYMTSA-N -1 1 295.383 2.615 20 0 CFADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1CCC=CCC1 ZINC000635408781 383545668 /nfs/dbraw/zinc/54/56/68/383545668.db2.gz OQFPGCCZPNUEPL-UHFFFAOYSA-N -1 1 274.246 2.508 20 0 CFADMM O=C(Cc1ccc(F)c(Cl)c1)[N-]O[C@@H]1CCCCO1 ZINC000528331211 383494812 /nfs/dbraw/zinc/49/48/12/383494812.db2.gz NARCFLCJYOTFFO-CYBMUJFWSA-N -1 1 287.718 2.596 20 0 CFADMM CC(C)[C@@H]1C[C@H]1CN=c1nc(C(F)(F)F)[n-]s1 ZINC000450812257 383500353 /nfs/dbraw/zinc/50/03/53/383500353.db2.gz PJYDEBZDFNTUTD-BQBZGAKWSA-N -1 1 265.304 2.683 20 0 CFADMM CCCCc1noc([C@@H](C)N2CCC[C@@](C)(C(=O)[O-])C2)n1 ZINC000569464013 383502129 /nfs/dbraw/zinc/50/21/29/383502129.db2.gz UPTKBOPKXOSDQQ-IAQYHMDHSA-N -1 1 295.383 2.660 20 0 CFADMM O=S(=O)([N-][C@@H]1C=CCCC1)c1cc(Cl)ccc1F ZINC000340967510 383514088 /nfs/dbraw/zinc/51/40/88/383514088.db2.gz LJAQRNVUQHCVNW-SNVBAGLBSA-N -1 1 289.759 2.866 20 0 CFADMM CCC[C@H](C)S(=O)(=O)[N-]c1cc(F)ccc1OC ZINC000569582644 383515561 /nfs/dbraw/zinc/51/55/61/383515561.db2.gz XQZRHYWPFLYQMY-VIFPVBQESA-N -1 1 275.345 2.765 20 0 CFADMM Cc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])nn2C)cc1 ZINC000635299634 383526838 /nfs/dbraw/zinc/52/68/38/383526838.db2.gz IWZWHRHVSOBTBH-INIZCTEOSA-N 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298.277 2.569 20 0 CFADMM Cc1ccccc1[C@H](C)N(C)C(=O)c1cncc([O-])c1 ZINC000264909303 383799602 /nfs/dbraw/zinc/79/96/02/383799602.db2.gz ZALDOVWKOLRMLS-LBPRGKRZSA-N -1 1 270.332 2.929 20 0 CFADMM O=C(c1cc(Cl)ccc1[O-])N1OC2CCC1CC2 ZINC000636408458 383801646 /nfs/dbraw/zinc/80/16/46/383801646.db2.gz YHLBVKYPLYWRFZ-UHFFFAOYSA-N -1 1 267.712 2.744 20 0 CFADMM CO[C@@H](C)CN(C(=O)c1ccc(Cl)cc1[O-])C(C)C ZINC000436564760 383836994 /nfs/dbraw/zinc/83/69/94/383836994.db2.gz SKTPIOWHSNGVTC-JTQLQIEISA-N -1 1 285.771 2.931 20 0 CFADMM Cn1cnc2cc(NC(=O)c3ccccc3[O-])ccc21 ZINC000436578723 383845406 /nfs/dbraw/zinc/84/54/06/383845406.db2.gz XTJMTMYFTSNMGZ-UHFFFAOYSA-N -1 1 267.288 2.531 20 0 CFADMM O=C(N[C@@H]1C=CCCC1)c1ccc(Cl)cc1[O-] ZINC000436588023 383846730 /nfs/dbraw/zinc/84/67/30/383846730.db2.gz RDRNESYGKDYIQB-SNVBAGLBSA-N -1 1 251.713 2.884 20 0 CFADMM CO[C@H](CNC(=O)c1ccc(Cl)cc1[O-])C(C)(C)C ZINC000436720836 383880082 /nfs/dbraw/zinc/88/00/82/383880082.db2.gz FNWDJSLFFAUKKR-GFCCVEGCSA-N -1 1 285.771 2.837 20 0 CFADMM O=C(Nc1cnn(-c2ccccc2)c1)c1ccccc1[O-] ZINC000436718333 383880185 /nfs/dbraw/zinc/88/01/85/383880185.db2.gz KQRFCKWBCKRNAZ-UHFFFAOYSA-N -1 1 279.299 2.830 20 0 CFADMM CSc1nc(CNC(=O)[C@H](C)CC(C)(C)C)cc(=O)[n-]1 ZINC000640655833 383880567 /nfs/dbraw/zinc/88/05/67/383880567.db2.gz KNLSXNRZLUNXSU-SECBINFHSA-N -1 1 297.424 2.593 20 0 CFADMM CCc1ccc(CNC(=O)C(=O)c2ccc([O-])cc2)s1 ZINC000436661667 383869046 /nfs/dbraw/zinc/86/90/46/383869046.db2.gz DRCWFXCCNIZPGH-UHFFFAOYSA-N -1 1 289.356 2.515 20 0 CFADMM COCC[C@@H](NC(=O)c1cc(F)ccc1[O-])C(C)(C)C ZINC000436675858 383870910 /nfs/dbraw/zinc/87/09/10/383870910.db2.gz MHCQNORAFPOGAO-CYBMUJFWSA-N -1 1 283.343 2.712 20 0 CFADMM COc1ccc(C(=O)N2C[C@@H](C)Oc3ccccc32)c([O-])c1 ZINC000436546147 383833723 /nfs/dbraw/zinc/83/37/23/383833723.db2.gz TZMPABQOWVYSRM-LLVKDONJSA-N -1 1 299.326 2.829 20 0 CFADMM [O-]c1cccc(CN2CC[C@H](OC(F)F)C2)c1Cl ZINC000646187758 383912785 /nfs/dbraw/zinc/91/27/85/383912785.db2.gz 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295.260 2.782 20 0 CFADMM CCc1cnc(NC(=O)c2ccc([O-])c(F)c2)s1 ZINC000681049448 542404699 /nfs/dbraw/zinc/40/46/99/542404699.db2.gz JGQXCBUBLDTCOV-UHFFFAOYSA-N -1 1 266.297 2.803 20 0 CFADMM O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1ccc([O-])c(F)c1 ZINC000681050775 542404769 /nfs/dbraw/zinc/40/47/69/542404769.db2.gz MADCERYEAAWECO-HIFRSBDPSA-N -1 1 285.318 2.892 20 0 CFADMM COc1ccc(CNC(=O)c2ccc([O-])c(F)c2)c(F)c1 ZINC000681056243 542406032 /nfs/dbraw/zinc/40/60/32/542406032.db2.gz XWNRDQONAHKHHK-UHFFFAOYSA-N -1 1 293.269 2.609 20 0 CFADMM Cc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1O ZINC000681056596 542406159 /nfs/dbraw/zinc/40/61/59/542406159.db2.gz QSAYQVYSTPXSGY-UHFFFAOYSA-N -1 1 261.252 2.798 20 0 CFADMM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2ccc([O-])c(F)c2)CCO1 ZINC000681062979 542406767 /nfs/dbraw/zinc/40/67/67/542406767.db2.gz GPJFUSCMTYGQQJ-RISCZKNCSA-N -1 1 295.354 2.855 20 0 CFADMM Cc1cnc([C@H](C)CNC(=O)c2ccc([O-])c(F)c2)s1 ZINC000681067576 542407576 /nfs/dbraw/zinc/40/75/76/542407576.db2.gz 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132015133 /nfs/dbraw/zinc/01/51/33/132015133.db2.gz LKTHJTBJJVBQHG-UHFFFAOYSA-N -1 1 295.339 2.535 20 0 CFADMM O=C(c1cncc([O-])c1)N1CCc2ccc(Cl)cc2C1 ZINC000179108439 393451865 /nfs/dbraw/zinc/45/18/65/393451865.db2.gz PPADOWQEBWIYES-UHFFFAOYSA-N -1 1 288.734 2.639 20 0 CFADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc2[nH]nnc2c1 ZINC000031381458 393508962 /nfs/dbraw/zinc/50/89/62/393508962.db2.gz ZUWCLCXURYTKOR-YGRLFVJLSA-N -1 1 272.352 2.609 20 0 CFADMM C[C@H]1c2ccsc2CCN1C(=O)c1ncccc1[O-] ZINC000042781377 393554775 /nfs/dbraw/zinc/55/47/75/393554775.db2.gz ANAJTLNYSISBNH-VIFPVBQESA-N -1 1 274.345 2.608 20 0 CFADMM O=C(c1ccc([O-])c(F)c1)N1CC(C2CCCC2)C1 ZINC000684507453 542820507 /nfs/dbraw/zinc/82/05/07/542820507.db2.gz ZWAMOAQYHGFEHL-UHFFFAOYSA-N -1 1 263.312 2.794 20 0 CFADMM C[C@@H]1CC[C@H](CNC(=O)c2ccc([O-])c(F)c2)C1 ZINC000684512908 542821236 /nfs/dbraw/zinc/82/12/36/542821236.db2.gz IBORQVFYPVUKNC-ZJUUUORDSA-N -1 1 251.301 2.697 20 0 CFADMM CN(Cc1ccc(Cl)cc1)C(=O)c1ncccc1[O-] ZINC000048880679 393607019 /nfs/dbraw/zinc/60/70/19/393607019.db2.gz OLNZGZOMPMMXEL-UHFFFAOYSA-N -1 1 276.723 2.713 20 0 CFADMM CCc1ccc(O)c(NC(=O)c2ccccc2[O-])c1 ZINC000074826161 393664122 /nfs/dbraw/zinc/66/41/22/393664122.db2.gz ABSALVOGDJPWFC-UHFFFAOYSA-N -1 1 257.289 2.913 20 0 CFADMM Cc1ccc2nc(-c3ncccc3C)[n-]c(=O)c2c1 ZINC000193918148 393667974 /nfs/dbraw/zinc/66/79/74/393667974.db2.gz RDCWOXIFDSOQCQ-UHFFFAOYSA-N -1 1 251.289 2.602 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCc2sccc2C1 ZINC000081934432 393737855 /nfs/dbraw/zinc/73/78/55/393737855.db2.gz CWHPPCGYFNDODA-UHFFFAOYSA-N -1 1 277.320 2.791 20 0 CFADMM C[C@@H](Cc1ccsc1)NC(=O)c1cc(F)ccc1[O-] ZINC000081945009 393738238 /nfs/dbraw/zinc/73/82/38/393738238.db2.gz UGUMPXXXFJANBA-VIFPVBQESA-N -1 1 279.336 2.954 20 0 CFADMM COc1ccccc1[C@@H](NCc1ccc(F)cc1)C(=O)[O-] ZINC000211401683 393753620 /nfs/dbraw/zinc/75/36/20/393753620.db2.gz WBNFRPUYYNCOCQ-OAHLLOKOSA-N -1 1 289.306 2.750 20 0 CFADMM O=C(NC[C@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000228578274 393775016 /nfs/dbraw/zinc/77/50/16/393775016.db2.gz YXJAYLKWZRLUET-MRVPVSSYSA-N -1 1 271.769 2.529 20 0 CFADMM Cc1cc(F)ccc1CCNC(=O)c1c([O-])cccc1F ZINC000228860782 393776213 /nfs/dbraw/zinc/77/62/13/393776213.db2.gz MSEDYHQYWNFVAR-UHFFFAOYSA-N -1 1 291.297 2.951 20 0 CFADMM C[C@@H](CC(F)(F)F)NC(=O)c1c([O-])cccc1F ZINC000228867548 393776267 /nfs/dbraw/zinc/77/62/67/393776267.db2.gz KVQCDJRSJIANTJ-LURJTMIESA-N -1 1 265.206 2.602 20 0 CFADMM C[C@H](c1ccncc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000094067882 393806450 /nfs/dbraw/zinc/80/64/50/393806450.db2.gz WEGLTSYBHUUQPV-SNVBAGLBSA-N -1 1 274.295 2.760 20 0 CFADMM CCC[C@@H]1CCC[C@H]1C(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC000415653366 393814864 /nfs/dbraw/zinc/81/48/64/393814864.db2.gz WVNCUSOOEYNLGY-GHMZBOCLSA-N -1 1 293.367 2.741 20 0 CFADMM CCC[C@@H]1CCC[C@H]1C(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC000415653366 393814865 /nfs/dbraw/zinc/81/48/65/393814865.db2.gz WVNCUSOOEYNLGY-GHMZBOCLSA-N -1 1 293.367 2.741 20 0 CFADMM O=C(NC1CCC(C(F)F)CC1)C(=O)c1ccc([O-])cc1 ZINC000458177538 393865341 /nfs/dbraw/zinc/86/53/41/393865341.db2.gz ICXTUPCDQZWKIZ-UHFFFAOYSA-N -1 1 297.301 2.515 20 0 CFADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCC(F)(F)C1 ZINC000684578084 542831114 /nfs/dbraw/zinc/83/11/14/542831114.db2.gz WDDRKLDUXCDJJY-SSDOTTSWSA-N -1 1 259.227 2.905 20 0 CFADMM Cc1c(/C=C/C(=O)Nc2ccc([O-])c(Cl)c2)cnn1C ZINC000119402274 393918619 /nfs/dbraw/zinc/91/86/19/393918619.db2.gz DBIZZDVIIBPFKG-ZZXKWVIFSA-N -1 1 291.738 2.739 20 0 CFADMM CC(C)N(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870570 542864218 /nfs/dbraw/zinc/86/42/18/542864218.db2.gz JENKQVOCEZPRCE-UHFFFAOYSA-N -1 1 261.243 2.891 20 0 CFADMM O=C(NCc1ccco1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684868868 542864619 /nfs/dbraw/zinc/86/46/19/542864619.db2.gz IOGFVJPDXVNQEF-UHFFFAOYSA-N -1 1 285.221 2.934 20 0 CFADMM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccco2)cc1 ZINC000417584704 393979707 /nfs/dbraw/zinc/97/97/07/393979707.db2.gz YGEIZPMGUNCYTJ-OAHLLOKOSA-N -1 1 289.331 2.984 20 0 CFADMM COCC[C@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000417590160 393980543 /nfs/dbraw/zinc/98/05/43/393980543.db2.gz HHYZTPCFKJJFJC-AWEZNQCLSA-N -1 1 289.331 2.526 20 0 CFADMM Cc1cnc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000417628597 393986769 /nfs/dbraw/zinc/98/67/69/393986769.db2.gz PLSMXDSHEGBEMF-QWHCGFSZSA-N -1 1 288.372 2.854 20 0 CFADMM CC1(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000430446151 393987457 /nfs/dbraw/zinc/98/74/57/393987457.db2.gz FNTLDZFRMAKDLT-UHFFFAOYSA-N -1 1 271.320 2.911 20 0 CFADMM Cc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)nc1 ZINC000417636107 393988402 /nfs/dbraw/zinc/98/84/02/393988402.db2.gz XFPSAGCTNATJMS-HZPDHXFCSA-N -1 1 282.343 2.793 20 0 CFADMM Cc1ccoc1CN[C@H](Cc1ccc(C)c(C)c1)C(=O)[O-] ZINC000417649542 393989887 /nfs/dbraw/zinc/98/98/87/393989887.db2.gz JORAIWKTFQWZOE-OAHLLOKOSA-N -1 1 287.359 2.990 20 0 CFADMM [O-]c1ccc(-c2noc(/C=C/[C@@H]3CCCO3)n2)c(F)c1 ZINC000351335831 393993332 /nfs/dbraw/zinc/99/33/32/393993332.db2.gz YWRZMSBOEYHZMC-RWCYGVJQSA-N -1 1 276.267 2.774 20 0 CFADMM CC[C@@H](NC(=O)c1ncccc1[O-])c1nc2ccccc2[nH]1 ZINC000125841239 394014893 /nfs/dbraw/zinc/01/48/93/394014893.db2.gz QIEDNWOWKSCZEH-SNVBAGLBSA-N -1 1 296.330 2.545 20 0 CFADMM O=C(NC1(c2ccc(F)cc2)CC1)C(=O)c1ccc([O-])cc1 ZINC000436942438 394037734 /nfs/dbraw/zinc/03/77/34/394037734.db2.gz VSLSGXBOAZKSCZ-UHFFFAOYSA-N -1 1 299.301 2.520 20 0 CFADMM O=C(Nc1nccn1-c1ccccc1)c1cc(F)ccc1[O-] ZINC000436981733 394040616 /nfs/dbraw/zinc/04/06/16/394040616.db2.gz DDOFWVHOMWFDOV-UHFFFAOYSA-N -1 1 297.289 2.969 20 0 CFADMM C[C@@H](Cc1cccc(O)c1)NC(=O)c1c([O-])cccc1F ZINC000436994274 394041979 /nfs/dbraw/zinc/04/19/79/394041979.db2.gz BODCCQVXDPATSZ-JTQLQIEISA-N -1 1 289.306 2.598 20 0 CFADMM COc1c(C)ccc(NC(=O)C(=O)c2ccc([O-])cc2)c1C ZINC000437002951 394042297 /nfs/dbraw/zinc/04/22/97/394042297.db2.gz INLBWIDXNYAFOL-UHFFFAOYSA-N -1 1 299.326 2.839 20 0 CFADMM C[C@@](O)(CNC(=O)c1cc(F)ccc1[O-])C1CCCCC1 ZINC000437006921 394042372 /nfs/dbraw/zinc/04/23/72/394042372.db2.gz WRWUIHMDIPZIFB-MRXNPFEDSA-N -1 1 295.354 2.592 20 0 CFADMM CCNc1cc(C)ccc1NC(=O)c1cncc([O-])c1 ZINC000355191460 394060592 /nfs/dbraw/zinc/06/05/92/394060592.db2.gz ZXNKBENIUFWZMD-UHFFFAOYSA-N -1 1 271.320 2.780 20 0 CFADMM O=S(=O)([N-]c1ncccc1Cl)c1ccccc1 ZINC000128625183 394072947 /nfs/dbraw/zinc/07/29/47/394072947.db2.gz MIPCZELJNQPXAK-UHFFFAOYSA-N -1 1 268.725 2.536 20 0 CFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)c(C)n1 ZINC000128763182 394075804 /nfs/dbraw/zinc/07/58/04/394075804.db2.gz DDVZXOAQAWGRIP-UHFFFAOYSA-N -1 1 294.351 2.947 20 0 CFADMM COCCC1(NC(=O)c2ccc(Cl)cc2[O-])CCC1 ZINC000436901267 394033226 /nfs/dbraw/zinc/03/32/26/394033226.db2.gz GNIGDKIPCPARFR-UHFFFAOYSA-N -1 1 283.755 2.735 20 0 CFADMM CCC(CC)(CC)CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000436946985 394037292 /nfs/dbraw/zinc/03/72/92/394037292.db2.gz KWKGFZOXZXVZRO-UHFFFAOYSA-N -1 1 277.364 2.908 20 0 CFADMM CCc1ccccc1[C@H]([NH3+])CN=c1nc(C2CC2)[n-]s1 ZINC000420274850 394112910 /nfs/dbraw/zinc/11/29/10/394112910.db2.gz KKULYSSLULDFKH-CYBMUJFWSA-N -1 1 288.420 2.512 20 0 CFADMM CCCc1cc(=O)[n-]c(SCC(=O)C2CCCCC2)n1 ZINC000131115209 394125965 /nfs/dbraw/zinc/12/59/65/394125965.db2.gz LCDWPEGCVBISCH-UHFFFAOYSA-N -1 1 294.420 2.964 20 0 CFADMM O=C(/C=C/COCC(F)(F)F)Nc1ccc(F)cc1[O-] ZINC000493194945 394175581 /nfs/dbraw/zinc/17/55/81/394175581.db2.gz UYKPZUNYJYTWAF-OWOJBTEDSA-N -1 1 293.216 2.605 20 0 CFADMM CCCc1cc([N-]S(=O)(=O)c2ccc(CC)s2)[nH]n1 ZINC000135009336 394208875 /nfs/dbraw/zinc/20/88/75/394208875.db2.gz DRNDUUIVASTPHZ-UHFFFAOYSA-N -1 1 299.421 2.787 20 0 CFADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H](OCC2CC2)C1 ZINC000364453334 394215996 /nfs/dbraw/zinc/21/59/96/394215996.db2.gz BWHBAVVAEGILQU-ZDUSSCGKSA-N -1 1 293.338 2.563 20 0 CFADMM CC[C@@H]1C[C@H](NCc2c(F)ccc(O)c2F)CCO1 ZINC000421389892 394217216 /nfs/dbraw/zinc/21/72/16/394217216.db2.gz RSZMRYSKQMVCIP-NXEZZACHSA-N -1 1 271.307 2.718 20 0 CFADMM O=C(/C=C\[C@H]1CCOC1)Nc1ccc([O-])c(Cl)c1 ZINC000493384005 394227671 /nfs/dbraw/zinc/22/76/71/394227671.db2.gz JWCPLZIGRHHHCF-LVXRCVOFSA-N -1 1 267.712 2.577 20 0 CFADMM O=C(NCc1cccs1)c1cc(F)ccc1[O-] ZINC000149008080 394248123 /nfs/dbraw/zinc/24/81/23/394248123.db2.gz BWVMXKFSHPMZEA-UHFFFAOYSA-N -1 1 251.282 2.523 20 0 CFADMM O=C(NC1CCSCC1)c1cc(Cl)ccc1[O-] ZINC000133936408 394185804 /nfs/dbraw/zinc/18/58/04/394185804.db2.gz PNUXXPSUOLMREO-UHFFFAOYSA-N -1 1 271.769 2.671 20 0 CFADMM COc1ccc(CN(C(=O)c2ncccc2[O-])C2CC2)cc1 ZINC000153491326 394285017 /nfs/dbraw/zinc/28/50/17/394285017.db2.gz QDHSYEJFNGFDIJ-UHFFFAOYSA-N -1 1 298.342 2.601 20 0 CFADMM C[C@H](c1cccnc1)N(C)C(=O)c1ccc([O-])cc1F ZINC000154835173 394303061 /nfs/dbraw/zinc/30/30/61/394303061.db2.gz ACHGRDYNIMJVDY-SNVBAGLBSA-N -1 1 274.295 2.760 20 0 CFADMM CCCc1cc(=O)[n-]c(S[C@H]2C[C@@H](C)CCC2=O)n1 ZINC000450629733 394303050 /nfs/dbraw/zinc/30/30/50/394303050.db2.gz POZPZXSGJHASQR-CABZTGNLSA-N -1 1 280.393 2.985 20 0 CFADMM Cc1nc(-c2ccc(NC(=O)c3ccccc3[O-])cc2)n[nH]1 ZINC000155347568 394314773 /nfs/dbraw/zinc/31/47/73/394314773.db2.gz HGCRKIAFGYOGKU-UHFFFAOYSA-N -1 1 294.314 2.738 20 0 CFADMM Cc1cccc([C@H](C)CNC(=O)c2cncc([O-])c2)c1 ZINC000157201347 394342502 /nfs/dbraw/zinc/34/25/02/394342502.db2.gz NDTGJSVIYODBFK-GFCCVEGCSA-N -1 1 270.332 2.629 20 0 CFADMM CC(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000157534384 394347424 /nfs/dbraw/zinc/34/74/24/394347424.db2.gz CILGFMITGVFOJT-QMMMGPOBSA-N -1 1 295.326 2.817 20 0 CFADMM CCc1ccc(CS(=O)(=O)[N-][C@@H](CC)C(F)F)cc1 ZINC000451077685 394355763 /nfs/dbraw/zinc/35/57/63/394355763.db2.gz CPCSSNHFBPZIQJ-LBPRGKRZSA-N -1 1 291.363 2.712 20 0 CFADMM CC[C@H]([N-]S(=O)(=O)Cc1ccc(C)c(F)c1)C(F)F ZINC000451085356 394356188 /nfs/dbraw/zinc/35/61/88/394356188.db2.gz RECKULLLLFHPRL-NSHDSACASA-N -1 1 295.326 2.597 20 0 CFADMM COc1ccc(-c2nc(-c3cccc(C)n3)no2)c([O-])c1 ZINC000111688699 542892089 /nfs/dbraw/zinc/89/20/89/542892089.db2.gz GFNZTHDTGNIRJE-UHFFFAOYSA-N -1 1 283.287 2.821 20 0 CFADMM Cc1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccn1C ZINC000684998796 542885491 /nfs/dbraw/zinc/88/54/91/542885491.db2.gz OIVDHDBKRJEVPB-UHFFFAOYSA-N -1 1 296.330 2.682 20 0 CFADMM Cc1noc(C)c1[C@@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000685435677 542912769 /nfs/dbraw/zinc/91/27/69/542912769.db2.gz HWAZXZLEEWFFOV-ZCFIWIBFSA-N -1 1 296.273 2.766 20 0 CFADMM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1c(F)ccc([O-])c1F ZINC000529575048 394411566 /nfs/dbraw/zinc/41/15/66/394411566.db2.gz HPALUHFRAVFXQN-BBBLOLIVSA-N -1 1 281.302 2.836 20 0 CFADMM O=C(NCC1CC=CC1)c1ccc(Br)c([O-])c1 ZINC000529710287 394421172 /nfs/dbraw/zinc/42/11/72/394421172.db2.gz KZMMEHYXGDGYMB-UHFFFAOYSA-N -1 1 296.164 2.851 20 0 CFADMM Cc1ccccc1[C@@H](C)N(C)Cc1cnc(C(=O)[O-])cn1 ZINC000530163086 394463971 /nfs/dbraw/zinc/46/39/71/394463971.db2.gz WFXMUPFBWDFDFD-GFCCVEGCSA-N -1 1 285.347 2.676 20 0 CFADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1noc2c1CCCC2 ZINC000530176966 394471529 /nfs/dbraw/zinc/47/15/29/394471529.db2.gz 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