smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCc1ccccn1)c1nc(Cc2ccccc2F)cc(=O)[n-]1 ZINC000019586275 202013157 /nfs/dbraw/zinc/01/31/57/202013157.db2.gz BYMBBNXGTNDOOV-UHFFFAOYSA-N -1 3 338.386 2.574 40 0 EFABHM CC(C)CCNC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O ZINC000019937690 202027304 /nfs/dbraw/zinc/02/73/04/202027304.db2.gz AVWVRQZOWPZEHW-UHFFFAOYSA-N -1 3 333.819 2.795 40 0 EFABHM Cc1nc(C)c(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000019937436 202027399 /nfs/dbraw/zinc/02/73/99/202027399.db2.gz XANJCTAGMKCXDR-UHFFFAOYSA-N -1 3 325.290 2.587 40 0 EFABHM Cc1nc(C)c(CC(=O)Nc2cc(Cl)ccc2Cl)c(=O)[n-]1 ZINC000019937427 202027454 /nfs/dbraw/zinc/02/74/54/202027454.db2.gz SLLCONMBICHDJH-UHFFFAOYSA-N -1 3 326.183 2.875 40 0 EFABHM Cc1nc(C)c(CC(=O)NCc2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000019937383 202027461 /nfs/dbraw/zinc/02/74/61/202027461.db2.gz ZZPBBMXJGIBYDT-UHFFFAOYSA-N -1 3 340.210 2.552 40 0 EFABHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000020046439 202030756 /nfs/dbraw/zinc/03/07/56/202030756.db2.gz QELMRBMAHMSDGN-KRWDZBQOSA-N -1 3 344.436 2.866 40 0 EFABHM O=C([N-]c1nnc(Cc2nc3ccccc3[nH]2)s1)c1ccco1 ZINC000020178654 202035958 /nfs/dbraw/zinc/03/59/58/202035958.db2.gz OPRYFRVWJWMUBT-UHFFFAOYSA-N -1 3 325.353 2.851 40 0 EFABHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCCCC2)c(Cl)c1 ZINC000030871009 202200373 /nfs/dbraw/zinc/20/03/73/202200373.db2.gz VZBCXTSPGVCCIB-UHFFFAOYSA-N -1 3 330.837 2.728 40 0 EFABHM CC(C)(C)[C@@]1(O)C=C(C(F)(F)F)NN1C(=O)c1cccc([O-])c1 ZINC000032100835 202221728 /nfs/dbraw/zinc/22/17/28/202221728.db2.gz BXRHKRBKWCFMIB-AWEZNQCLSA-N -1 3 330.306 2.891 40 0 EFABHM O=C([N-]c1nc2c(s1)CCCC2)c1coc(NC(=O)C2CC2)n1 ZINC000070638725 202336576 /nfs/dbraw/zinc/33/65/76/202336576.db2.gz RHBAJWKURJJUAR-UHFFFAOYSA-N -1 3 332.385 2.611 40 0 EFABHM O=S(=O)([N-]Cc1cccs1)c1c(Cl)nc2sccn21 ZINC000037555646 202346648 /nfs/dbraw/zinc/34/66/48/202346648.db2.gz PMVGPUIKVKIFQL-UHFFFAOYSA-N -1 3 333.847 2.589 40 0 EFABHM CCOc1cc(C(=O)[N-]c2nnc(CC)s2)nn1-c1ccccc1 ZINC000072264687 202359066 /nfs/dbraw/zinc/35/90/66/202359066.db2.gz NIOJXGYUPAHSAU-UHFFFAOYSA-N -1 3 343.412 2.937 40 0 EFABHM CCO[N-]C(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000078604093 202397190 /nfs/dbraw/zinc/39/71/90/202397190.db2.gz PCDFEPDRIJUXPY-UHFFFAOYSA-N -1 3 333.432 2.709 40 0 EFABHM CC(C)OCCS(=O)(=O)[N-]c1cccc(-c2nccs2)c1 ZINC000080782939 202470316 /nfs/dbraw/zinc/47/03/16/202470316.db2.gz SPXSAYSSZZRJOJ-UHFFFAOYSA-N -1 3 326.443 2.977 40 0 EFABHM CN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)C1CCCC1 ZINC000044903005 202532356 /nfs/dbraw/zinc/53/23/56/202532356.db2.gz VPHLRJCMXUWQEY-UHFFFAOYSA-N -1 3 330.837 2.726 40 0 EFABHM CCO[N-]C(=O)Cc1cc(OCC)c(OCC)cc1Br ZINC000022874925 212331000 /nfs/dbraw/zinc/33/10/00/212331000.db2.gz DIOBRTZVOYNWBW-UHFFFAOYSA-N -1 3 346.221 2.857 40 0 EFABHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc(C)on1 ZINC000000426282 201470303 /nfs/dbraw/zinc/47/03/03/201470303.db2.gz KPXLUUYRAAODTH-UHFFFAOYSA-N -1 3 336.369 2.985 40 0 EFABHM O=C([O-])[C@@H](Cc1ccccc1)NCc1cnc(-c2ccccc2)nc1 ZINC000218759838 241342820 /nfs/dbraw/zinc/34/28/20/241342820.db2.gz KJBBIGIJVRMZLO-GOSISDBHSA-N -1 3 333.391 2.929 40 0 EFABHM CCS(=O)(=O)[N-]c1ccc(C(=O)N(C)c2cccc(OC)c2)cc1 ZINC000225964181 242081901 /nfs/dbraw/zinc/08/19/01/242081901.db2.gz MFFHPTPKSVTPRE-UHFFFAOYSA-N -1 3 348.424 2.733 40 0 EFABHM C[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccc([O-])cc1)N2 ZINC000409057412 242561201 /nfs/dbraw/zinc/56/12/01/242561201.db2.gz POLRIRPMDGWKEV-DDHOLCJHSA-N -1 3 342.317 2.891 40 0 EFABHM CCO[C@]1(C(F)(F)F)[N-]C(=O)N(Cc2ccccc2Cl)C1=O ZINC000003629221 201578523 /nfs/dbraw/zinc/57/85/23/201578523.db2.gz NRLDWQPATHMJFA-GFCCVEGCSA-N -1 3 336.697 2.687 40 0 EFABHM c1sc([N-]c2cnccn2)nc1[C@H]1CCCN(c2ncccn2)C1 ZINC000072363623 203206129 /nfs/dbraw/zinc/20/61/29/203206129.db2.gz WJRQRSBMRJQSDM-LBPRGKRZSA-N -1 3 339.428 2.851 40 0 EFABHM O=c1cc([C@H]2CCCN(Cc3ccncc3)C2)nc(-c2ccccn2)[n-]1 ZINC000072393211 203212955 /nfs/dbraw/zinc/21/29/55/203212955.db2.gz HCWZKOBMWXMOKV-INIZCTEOSA-N -1 3 347.422 2.607 40 0 EFABHM O=c1cc([C@H]2CCCN(Cc3cccnc3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393074 203213303 /nfs/dbraw/zinc/21/33/03/203213303.db2.gz YBFVQCAKRUCDOQ-KRWDZBQOSA-N -1 3 347.422 2.607 40 0 EFABHM Cc1nc([C@H]2COCCN2C(=O)c2csc(C(C)C)c2)cc(=O)[n-]1 ZINC000257258172 244287466 /nfs/dbraw/zinc/28/74/66/244287466.db2.gz KSRBYACPDALCHL-CQSZACIVSA-N -1 3 347.440 2.889 40 0 EFABHM O=C([O-])c1cccc(CN2CCC(c3ccnc4ccnn43)CC2)c1 ZINC000257267380 244365322 /nfs/dbraw/zinc/36/53/22/244365322.db2.gz MHBCPJIRJICPRW-UHFFFAOYSA-N -1 3 336.395 2.807 40 0 EFABHM O=c1c2cnn(-c3ccccc3)c2[n-]c(=S)n1Cc1ccccc1 ZINC000104416773 204109991 /nfs/dbraw/zinc/10/99/91/204109991.db2.gz ACBUULMDGGWFCR-UHFFFAOYSA-N -1 3 334.404 2.919 40 0 EFABHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H](c2cccs2)N(C)C)c1 ZINC000042985788 204191225 /nfs/dbraw/zinc/19/12/25/204191225.db2.gz ZCMOMZRRZIXAJI-CYBMUJFWSA-N -1 3 342.461 2.777 40 0 EFABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000047654972 204339589 /nfs/dbraw/zinc/33/95/89/204339589.db2.gz ZUEGWTWICWSNPP-UHFFFAOYSA-N -1 3 348.424 2.554 40 0 EFABHM CCc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)OC)cc2)c1 ZINC000048331828 204346830 /nfs/dbraw/zinc/34/68/30/204346830.db2.gz ZBCPSGRTKGPJDM-UHFFFAOYSA-N -1 3 349.408 2.602 40 0 EFABHM CC(C)(C)[C@]1(O)C=C(C(F)(F)F)NN1C(=O)c1ccc([O-])cc1 ZINC000032100833 277263239 /nfs/dbraw/zinc/26/32/39/277263239.db2.gz GMSFLEVNFSWGSJ-CQSZACIVSA-N -1 3 330.306 2.891 40 0 EFABHM CC(C)n1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000096427660 280767918 /nfs/dbraw/zinc/76/79/18/280767918.db2.gz YCYWFXANUVRAHK-NWDGAFQWSA-N -1 3 339.383 2.863 40 0 EFABHM Cc1cccc(N(CCC(N)=O)C(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000097236542 323214389 /nfs/dbraw/zinc/21/43/89/323214389.db2.gz WNTSQCZSQMANBH-UHFFFAOYSA-N -1 3 346.814 2.805 40 0 EFABHM CC[C@@H]([N-]S(=O)(=O)c1cnn(C(C)C)c1)c1ncc(C)s1 ZINC000096428129 473408650 /nfs/dbraw/zinc/40/86/50/473408650.db2.gz ZPXPZLMDIYUDHE-GFCCVEGCSA-N -1 3 328.463 2.659 40 0 EFABHM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC2(CC2)c2ccccc21 ZINC000081802760 473255972 /nfs/dbraw/zinc/25/59/72/473255972.db2.gz MYTJNNKXRGGUQU-UHFFFAOYSA-N -1 3 327.409 2.905 40 0 EFABHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2c(F)cccc2F)c1 ZINC000145545658 473292921 /nfs/dbraw/zinc/29/29/21/473292921.db2.gz GSEBIWZDDSDIRA-UHFFFAOYSA-N -1 3 345.298 2.691 40 0 EFABHM COc1c(C(=O)[N-]c2nc(C)cs2)nnn1Cc1ccc(C)cc1 ZINC000096183373 473324804 /nfs/dbraw/zinc/32/48/04/473324804.db2.gz FOOMIYQOHASCTA-UHFFFAOYSA-N -1 3 343.412 2.661 40 0 EFABHM Cc1ccccc1[C@@H](C)CC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000096407826 473385894 /nfs/dbraw/zinc/38/58/94/473385894.db2.gz XVOUONVDYUCUDD-HNNXBMFYSA-N -1 3 340.423 2.740 40 0 EFABHM Cc1cccc(CNC(=O)CSc2n[n-]c(-c3ccccn3)n2)c1 ZINC000096409180 473388392 /nfs/dbraw/zinc/38/83/92/473388392.db2.gz SOKCRMJDGSCRAS-UHFFFAOYSA-N -1 3 339.424 2.584 40 0 EFABHM Cc1ccc(Cl)cc1NC(=O)C[C@H](NCc1ccccn1)C(=O)[O-] ZINC000000202870 471334357 /nfs/dbraw/zinc/33/43/57/471334357.db2.gz ASTLFTJYEOMENM-HNNXBMFYSA-N -1 3 347.802 2.615 40 0 EFABHM O=C(CSc1nnc(-c2ccc([O-])cc2)o1)NC1CCCCC1 ZINC000000421881 471356845 /nfs/dbraw/zinc/35/68/45/471356845.db2.gz XQUCXXQMFXJOLI-UHFFFAOYSA-N -1 3 333.413 2.983 40 0 EFABHM O=c1cc(CO)oc([C@@H](Nc2ccccc2F)c2ccccn2)c1[O-] ZINC000001236074 471383321 /nfs/dbraw/zinc/38/33/21/471383321.db2.gz ZUWRLQJWMRVKOS-INIZCTEOSA-N -1 3 342.326 2.573 40 0 EFABHM Cc1ccc([C@H](C(=O)[O-])N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000002527358 471409947 /nfs/dbraw/zinc/40/99/47/471409947.db2.gz NYSASCGYJCTPJA-HUUCEWRRSA-N -1 3 334.416 2.720 40 0 EFABHM O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1)NCc1ccccc1 ZINC000002697452 471418154 /nfs/dbraw/zinc/41/81/54/471418154.db2.gz BKMSFKHMILVYJG-HNNXBMFYSA-N -1 3 332.787 2.912 40 0 EFABHM O=C1c2cccc3c(NCCO)ccc(c23)C(=O)N1c1ccccc1[O-] ZINC000003026374 471430400 /nfs/dbraw/zinc/43/04/00/471430400.db2.gz FGTWUVNNLJQGPA-UHFFFAOYSA-N -1 3 348.358 2.750 40 0 EFABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000003236602 471437771 /nfs/dbraw/zinc/43/77/71/471437771.db2.gz JUIMEXZNQQPRRO-UHFFFAOYSA-N -1 3 337.397 2.903 40 0 EFABHM CCOC([O-])=NC(=O)COC(=O)c1oc2ccc(OCC)cc2c1C ZINC000003523198 471451659 /nfs/dbraw/zinc/45/16/59/471451659.db2.gz BWFRNSNSOKIWCS-UHFFFAOYSA-N -1 3 349.339 2.569 40 0 EFABHM CCOC(=O)[N-]C(=O)COC(=O)c1oc2ccc(OCC)cc2c1C ZINC000003523198 471451663 /nfs/dbraw/zinc/45/16/63/471451663.db2.gz BWFRNSNSOKIWCS-UHFFFAOYSA-N -1 3 349.339 2.569 40 0 EFABHM Cc1c(Cl)cccc1NC(=O)C[C@H](NCc1cccnc1)C(=O)[O-] ZINC000004139464 471459686 /nfs/dbraw/zinc/45/96/86/471459686.db2.gz UDOADKHTOGMWJL-HNNXBMFYSA-N -1 3 347.802 2.615 40 0 EFABHM Cc1ccc(NC(=O)C[C@H](NCc2cccnc2)C(=O)[O-])cc1Cl ZINC000004189780 471460774 /nfs/dbraw/zinc/46/07/74/471460774.db2.gz MPYDAOCZAOVDRG-HNNXBMFYSA-N -1 3 347.802 2.615 40 0 EFABHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnc(C)cn3)nc(=O)c2c1C ZINC000004486055 471466815 /nfs/dbraw/zinc/46/68/15/471466815.db2.gz HFTMWDWCQPMKTI-SECBINFHSA-N -1 3 344.396 2.618 40 0 EFABHM O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)Nc1ccccc1[O-] ZINC000005771503 471520703 /nfs/dbraw/zinc/52/07/03/471520703.db2.gz BOIUMRBEQLDOBC-JYRVWZFOSA-N -1 3 344.348 2.660 40 0 EFABHM Cc1cccc(NC(=O)c2c([O-])c3c(n(C4CC4)c2=O)CCCC3)n1 ZINC000006443604 471545386 /nfs/dbraw/zinc/54/53/86/471545386.db2.gz BLPALAIJXVMSLB-UHFFFAOYSA-N -1 3 339.395 2.723 40 0 EFABHM CNc1c2ccccc2oc(=O)c1[N-]S(=O)(=O)c1cccs1 ZINC000006784655 471569607 /nfs/dbraw/zinc/56/96/07/471569607.db2.gz XVDUFVANYUNSRW-UHFFFAOYSA-N -1 3 336.394 2.697 40 0 EFABHM COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)[O-])CC2 ZINC000008472564 471688759 /nfs/dbraw/zinc/68/87/59/471688759.db2.gz GWBLJDVFIXUTJD-IBGZPJMESA-N -1 3 327.380 2.736 40 0 EFABHM COc1cc(/C=C2\NC(=S)N(CC(C)C)C2=O)cc(Cl)c1[O-] ZINC000009909125 471722874 /nfs/dbraw/zinc/72/28/74/471722874.db2.gz LBFURZXZJUJLLC-WZUFQYTHSA-N -1 3 340.832 2.768 40 0 EFABHM CCc1cc(=O)n2[n-]c([C@@H]3CCN(Cc4cccc(C)n4)C3)cc2n1 ZINC000012222250 471768726 /nfs/dbraw/zinc/76/87/26/471768726.db2.gz YVBZVSARUAWVCA-CQSZACIVSA-N -1 3 337.427 2.690 40 0 EFABHM CCc1c(C)nc2cc([C@H]3CCN(Cc4cccnc4)C3)[n-]n2c1=O ZINC000012222240 471769003 /nfs/dbraw/zinc/76/90/03/471769003.db2.gz RMYBQIJUNFATSB-HNNXBMFYSA-N -1 3 337.427 2.690 40 0 EFABHM O=S(=O)([N-]C1(c2ccccc2F)CC1)c1cccc2nsnc21 ZINC000012241727 471769731 /nfs/dbraw/zinc/76/97/31/471769731.db2.gz QJKPMNATWTZVFO-UHFFFAOYSA-N -1 3 349.412 2.798 40 0 EFABHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)no1 ZINC000013495403 471830412 /nfs/dbraw/zinc/83/04/12/471830412.db2.gz LDVIVQDTKJOCEO-NSHDSACASA-N -1 3 347.371 2.915 40 0 EFABHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)no1 ZINC000013495401 471831123 /nfs/dbraw/zinc/83/11/23/471831123.db2.gz LDVIVQDTKJOCEO-LLVKDONJSA-N -1 3 347.371 2.915 40 0 EFABHM CCOC(=O)c1cccc([N-]S(=O)(=O)Cc2ccccc2F)c1 ZINC000013668963 471836802 /nfs/dbraw/zinc/83/68/02/471836802.db2.gz UMKNWZQEHSMWRW-UHFFFAOYSA-N -1 3 337.372 2.944 40 0 EFABHM COC(=O)c1cc([N-]C(=O)c2ccc(Cl)o2)cc(C(=O)OC)c1 ZINC000014020283 471847816 /nfs/dbraw/zinc/84/78/16/471847816.db2.gz RPBFIRGECATCHZ-UHFFFAOYSA-N -1 3 337.715 2.759 40 0 EFABHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000016093435 471925221 /nfs/dbraw/zinc/92/52/21/471925221.db2.gz BUXFIERRPYKHFR-SECBINFHSA-N -1 3 336.251 2.925 40 0 EFABHM Cc1cc([O-])c(C(=O)Nc2ccccc2)c(=O)n1Cc1cccnc1 ZINC000016790273 471951256 /nfs/dbraw/zinc/95/12/56/471951256.db2.gz ZLASHWVGRVJYBI-UHFFFAOYSA-N -1 3 335.363 2.558 40 0 EFABHM Cc1nc(N)[n-]c(=O)c1CCCNc1cccc(C(F)(F)F)c1 ZINC000017025481 471953445 /nfs/dbraw/zinc/95/34/45/471953445.db2.gz IVTCSFDEFPKANN-UHFFFAOYSA-N -1 3 326.322 2.724 40 0 EFABHM COc1ccccc1CCC(=O)N1CCC[C@H]1c1nc(C)cc(=O)[n-]1 ZINC000019118100 471977415 /nfs/dbraw/zinc/97/74/15/471977415.db2.gz SWYNSSIRRKKUKR-HNNXBMFYSA-N -1 3 341.411 2.796 40 0 EFABHM CC(C)CCc1cc(=O)[n-]c(N2CCN(c3ccccc3)CC2)n1 ZINC000022448921 472014898 /nfs/dbraw/zinc/01/48/98/472014898.db2.gz JWZAPVGSKBHBMM-UHFFFAOYSA-N -1 3 326.444 2.685 40 0 EFABHM Cc1cccc(-c2noc(C[N-]S(=O)(=O)Cc3ccccc3)n2)c1 ZINC000041152842 472048566 /nfs/dbraw/zinc/04/85/66/472048566.db2.gz CBEMAYPOGLJWET-UHFFFAOYSA-N -1 3 343.408 2.665 40 0 EFABHM Cc1cc(Cl)ccc1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000024652378 472062033 /nfs/dbraw/zinc/06/20/33/472062033.db2.gz INHSPEHZTMPLKT-UHFFFAOYSA-N -1 3 344.845 2.627 40 0 EFABHM Cc1cc(=O)c(C(=O)Nc2cccc([O-])c2)nn1-c1ccccc1F ZINC000096965301 472401195 /nfs/dbraw/zinc/40/11/95/472401195.db2.gz XKGGRGHJIWVMQM-UHFFFAOYSA-N -1 3 339.326 2.638 40 0 EFABHM C[C@H]1C[C@@H]1c1ccc(CN(c2nc3nncc-3c(O)[n-]2)C2CC2)o1 ZINC000097097178 472444969 /nfs/dbraw/zinc/44/49/69/472444969.db2.gz CMVPGYBZQBIDHS-CABZTGNLSA-N -1 3 325.372 2.944 40 0 EFABHM C[C@@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccsc1 ZINC000096415609 473394823 /nfs/dbraw/zinc/39/48/23/473394823.db2.gz MOZMPERRWXGRPR-CYBMUJFWSA-N -1 3 344.436 2.542 40 0 EFABHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2ccc(F)cc2)c1 ZINC000096426590 473406603 /nfs/dbraw/zinc/40/66/03/473406603.db2.gz JGFBOVGLUYCXSO-UHFFFAOYSA-N -1 3 336.388 2.687 40 0 EFABHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2)C2CC2)n1 ZINC000096428405 473408607 /nfs/dbraw/zinc/40/86/07/473408607.db2.gz PIIXFGUEIHLAEV-GFCCVEGCSA-N -1 3 343.861 2.930 40 0 EFABHM Cc1cc(=O)[n-]c(CSc2nnc(C3CC3)n2-c2ccccc2)n1 ZINC000096461248 473433121 /nfs/dbraw/zinc/43/31/21/473433121.db2.gz HWBMJKCLFXVFAT-UHFFFAOYSA-N -1 3 339.424 2.829 40 0 EFABHM COc1cc(F)c(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1F ZINC000096467129 473434656 /nfs/dbraw/zinc/43/46/56/473434656.db2.gz OGHJTAUVPATUMO-UHFFFAOYSA-N -1 3 337.326 2.741 40 0 EFABHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(OC[C@H]3CCCCO3)CC2)n1 ZINC000192615370 473696644 /nfs/dbraw/zinc/69/66/44/473696644.db2.gz QLOGYUWZTZYOHR-GDBMZVCRSA-N -1 3 335.448 2.602 40 0 EFABHM O=S(=O)(Cc1c(F)cccc1Cl)[N-]CCOc1ccccc1 ZINC000224180667 474195309 /nfs/dbraw/zinc/19/53/09/474195309.db2.gz 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EFABHM Cc1nc2c(c(=O)[n-]1)CC[C@@H]1CN(C(=O)c3occ4ccccc43)C[C@H]21 ZINC000012120138 211297296 /nfs/dbraw/zinc/29/72/96/211297296.db2.gz RJSPSFCCGZQHAV-WBMJQRKESA-N -1 3 349.390 2.627 40 0 EFABHM [O-]c1ccc(Br)c(CN2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000091928053 218089364 /nfs/dbraw/zinc/08/93/64/218089364.db2.gz ZMPIIVDGFFOPRR-GJZGRUSLSA-N -1 3 342.233 2.535 40 0 EFABHM [O-]c1ccc(Br)c(CN2CCS[C@H]3COCC[C@@H]32)c1 ZINC000091856525 218078411 /nfs/dbraw/zinc/07/84/11/218078411.db2.gz WHGWAUVUKDLTFP-KBPBESRZSA-N -1 3 344.274 2.861 40 0 EFABHM CCOC([O-])=NC(=O)COC(=O)c1sccc1-c1ccccc1 ZINC000010986032 211199772 /nfs/dbraw/zinc/19/97/72/211199772.db2.gz IIVKWAFRMCFNMU-UHFFFAOYSA-N -1 3 333.365 2.845 40 0 EFABHM CCOC(=O)[N-]C(=O)COC(=O)c1sccc1-c1ccccc1 ZINC000010986032 211199780 /nfs/dbraw/zinc/19/97/80/211199780.db2.gz IIVKWAFRMCFNMU-UHFFFAOYSA-N -1 3 333.365 2.845 40 0 EFABHM Cc1ncsc1C[N-]c1nnc([C@H]2COc3ccccc3O2)o1 ZINC000097375441 219018426 /nfs/dbraw/zinc/01/84/26/219018426.db2.gz 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40 0 EFABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccccc1[O-])[C@]2(O)C(F)(F)F ZINC000006522836 471548909 /nfs/dbraw/zinc/54/89/09/471548909.db2.gz ZRKSSJHBXOKVIP-XDMRBOTDSA-N -1 3 342.317 2.891 40 0 EFABHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1OC ZINC000007056313 471589512 /nfs/dbraw/zinc/58/95/12/471589512.db2.gz JDOFBIXJBRETFL-UHFFFAOYSA-N -1 3 333.409 2.993 40 0 EFABHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC(c2ccccc2O)=NO1 ZINC000013122388 471817539 /nfs/dbraw/zinc/81/75/39/471817539.db2.gz KMXNNGFDUXMIIM-HNNXBMFYSA-N -1 3 332.743 2.883 40 0 EFABHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC(c2ccccc2O)=NO1 ZINC000013122389 471818146 /nfs/dbraw/zinc/81/81/46/471818146.db2.gz KMXNNGFDUXMIIM-OAHLLOKOSA-N -1 3 332.743 2.883 40 0 EFABHM O=c1cc(CO)oc([C@H](Nc2ccccn2)c2ccc(F)cc2)c1[O-] ZINC000013140530 471818216 /nfs/dbraw/zinc/81/82/16/471818216.db2.gz JCPHBSBXPBYVQO-MRXNPFEDSA-N -1 3 342.326 2.573 40 0 EFABHM CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000014063313 471849721 /nfs/dbraw/zinc/84/97/21/471849721.db2.gz 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Cc1nc(C)c(C(=O)OCC(=O)[N-]c2cc(C(C)(C)C)no2)s1 ZINC000014634065 471876038 /nfs/dbraw/zinc/87/60/38/471876038.db2.gz RIMIZENQCBRKGI-UHFFFAOYSA-N -1 3 337.401 2.841 40 0 EFABHM CC(C)CCc1cc(=O)[n-]c(N2CCN(c3ccccc3F)CC2)n1 ZINC000022449008 472015199 /nfs/dbraw/zinc/01/51/99/472015199.db2.gz DEFULVBNHNXNFE-UHFFFAOYSA-N -1 3 344.434 2.824 40 0 EFABHM CCc1nnc([N-]C(=O)c2ccc(CSc3nccn3C)o2)s1 ZINC000044647897 472328430 /nfs/dbraw/zinc/32/84/30/472328430.db2.gz CKZSXQJCQAAETC-UHFFFAOYSA-N -1 3 349.441 2.972 40 0 EFABHM Cc1nc(C)c(CCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)c(=O)[n-]1 ZINC000044890171 472347918 /nfs/dbraw/zinc/34/79/18/472347918.db2.gz FIQXBWVTZDQUOK-SFHVURJKSA-N -1 3 345.418 2.972 40 0 EFABHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCCCC2)cc1Cl ZINC000030753562 472348283 /nfs/dbraw/zinc/34/82/83/472348283.db2.gz FJMNSLMOTACOPU-UHFFFAOYSA-N -1 3 330.837 2.728 40 0 EFABHM COc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000030756640 472348429 /nfs/dbraw/zinc/34/84/29/472348429.db2.gz 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Cc1cccc(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)n1 ZINC000012121693 211300520 /nfs/dbraw/zinc/30/05/20/211300520.db2.gz HNANTFAKHMSQRS-UHFFFAOYSA-N -1 3 333.395 2.506 40 0 EFABHM Cc1ccc(NC(=O)C2CCN(Cc3nc(C)ccc3[O-])CC2)nc1 ZINC000091687203 218046340 /nfs/dbraw/zinc/04/63/40/218046340.db2.gz SIVKUYGRPBOMDF-UHFFFAOYSA-N -1 3 340.427 2.650 40 0 EFABHM Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)cc(C)c3c2)cc1 ZINC000010274223 211160131 /nfs/dbraw/zinc/16/01/31/211160131.db2.gz XDNKZZYQLNVFAB-UHFFFAOYSA-N -1 3 328.393 2.946 40 0 EFABHM CCCN1C(=O)C(=Cc2cc(Cl)c([O-])c(OC)c2)NC1=S ZINC000009909033 211132070 /nfs/dbraw/zinc/13/20/70/211132070.db2.gz RSGSREYGKXNRJY-UXBLZVDNSA-N -1 3 326.805 2.522 40 0 EFABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)c(C)c1 ZINC000009874933 211130597 /nfs/dbraw/zinc/13/05/97/211130597.db2.gz QBVOWJOCWBFTIV-UHFFFAOYSA-N -1 3 342.424 2.744 40 0 EFABHM O=C(CCSc1nnc(-c2ccc([O-])cc2)o1)N1CCCCC1 ZINC000004816057 210286321 /nfs/dbraw/zinc/28/63/21/210286321.db2.gz 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C[C@@H]1CCCC2=C1NN(C(=O)c1ccc([O-])cc1)[C@]2(O)C(F)(F)F ZINC000006522820 471548262 /nfs/dbraw/zinc/54/82/62/471548262.db2.gz NZLZBOUCBAEGKY-DDHOLCJHSA-N -1 3 342.317 2.891 40 0 EFABHM C[C@@H]1CCCC2=C1NN(C(=O)c1cccnc1)[C@]2([O-])C(F)(F)F ZINC000006522842 471548845 /nfs/dbraw/zinc/54/88/45/471548845.db2.gz VQDCDJSUZGUTLX-GLXFQSAKSA-N -1 3 327.306 2.581 40 0 EFABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCC(C)C ZINC000007374358 471609458 /nfs/dbraw/zinc/60/94/58/471609458.db2.gz ZVXQPPVULIEJSV-UHFFFAOYSA-N -1 3 336.251 2.782 40 0 EFABHM CCOC(=O)[C@H]1CCCN(Cc2cc(=O)oc3c(C)c([O-])ccc23)C1 ZINC000007436765 471614536 /nfs/dbraw/zinc/61/45/36/471614536.db2.gz NAWGOABQFTUZPP-ZDUSSCGKSA-N -1 3 345.395 2.582 40 0 EFABHM CCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000007531877 471619965 /nfs/dbraw/zinc/61/99/65/471619965.db2.gz RSOWYKVCEORXSJ-LBPRGKRZSA-N -1 3 334.445 2.927 40 0 EFABHM O=C(CSc1n[n-]c([C@H]2CCCO2)n1)Nc1cc(F)cc(F)c1 ZINC000012865433 471801563 /nfs/dbraw/zinc/80/15/63/471801563.db2.gz ZTMWTXDOJWPRMO-LLVKDONJSA-N -1 3 340.355 2.665 40 0 EFABHM CC(C)[C@@H](NC(=O)C1CCCC1)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019445627 471980171 /nfs/dbraw/zinc/98/01/71/471980171.db2.gz CAKOZBWFKUBQMF-QGZVFWFLSA-N -1 3 340.427 2.835 40 0 EFABHM CC(C)[C@H](NC(=O)C1CCCC1)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019445629 471980238 /nfs/dbraw/zinc/98/02/38/471980238.db2.gz CAKOZBWFKUBQMF-KRWDZBQOSA-N -1 3 340.427 2.835 40 0 EFABHM CC(C)n1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccccc1)C3 ZINC000019821093 471984147 /nfs/dbraw/zinc/98/41/47/471984147.db2.gz XZSBGBBULITJNQ-CYBMUJFWSA-N -1 3 349.390 2.578 40 0 EFABHM CCOc1cc(C=C2SC(=O)[N-]C2=O)cc(Br)c1O ZINC000033347580 471984787 /nfs/dbraw/zinc/98/47/87/471984787.db2.gz PAIQMMLSXDZBKP-UITAMQMPSA-N -1 3 344.186 2.877 40 0 EFABHM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1NC(C)=O ZINC000024437100 472055110 /nfs/dbraw/zinc/05/51/10/472055110.db2.gz KZWUIRILSRWGDY-UHFFFAOYSA-N -1 3 334.397 2.763 40 0 EFABHM COC(=O)c1cccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000029047036 472247028 /nfs/dbraw/zinc/24/70/28/472247028.db2.gz LRTAVOAMVRHFPT-UHFFFAOYSA-N -1 3 349.408 2.899 40 0 EFABHM C[C@@H](c1ccc(Br)cc1)N1CCN(CCC(=O)[O-])CC1 ZINC000086730121 472292292 /nfs/dbraw/zinc/29/22/92/472292292.db2.gz FGZJNOLHDQWUKC-LBPRGKRZSA-N -1 3 341.249 2.602 40 0 EFABHM O=C1NC(=O)/C(=C/c2ccc([O-])c(Br)c2)c2ccccc21 ZINC000030058206 472313720 /nfs/dbraw/zinc/31/37/20/472313720.db2.gz NJAGIKCTWFDLMC-KPKJPENVSA-N -1 3 344.164 2.965 40 0 EFABHM Cc1cnc(-c2cccc([N-]S(=O)(=O)C[C@@H]3CCCCO3)c2)o1 ZINC000076937478 472427582 /nfs/dbraw/zinc/42/75/82/472427582.db2.gz PFONLOMNZJPSCG-HNNXBMFYSA-N -1 3 336.413 2.961 40 0 EFABHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2c(C)nc(C)[n-]c2=O)o1 ZINC000096433198 473411861 /nfs/dbraw/zinc/41/18/61/473411861.db2.gz SJQDDYLXYKVAJJ-ZBEGNZNMSA-N -1 3 343.427 2.830 40 0 EFABHM O=C(NCCNc1ncccc1C(F)(F)F)c1ccc([O-])cc1 ZINC000096453523 473429563 /nfs/dbraw/zinc/42/95/63/473429563.db2.gz GQNCJCYEPNEBSB-UHFFFAOYSA-N -1 3 325.290 2.648 40 0 EFABHM O=c1[nH]c(C=Cc2ccc([O-])c(Br)c2)nc2cnccc12 ZINC000151496612 473465529 /nfs/dbraw/zinc/46/55/29/473465529.db2.gz KGQOJWMLWZKBLA-DUXPYHPUSA-N -1 3 344.168 2.957 40 0 EFABHM COc1ccsc1S(=O)(=O)[N-][C@H](C)CC(=O)c1cccs1 ZINC000152312977 473546839 /nfs/dbraw/zinc/54/68/39/473546839.db2.gz LHDUZIGCSCBUTO-SECBINFHSA-N -1 3 345.467 2.758 40 0 EFABHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(OC[C@@H]3CCCCO3)CC2)n1 ZINC000192615343 473696771 /nfs/dbraw/zinc/69/67/71/473696771.db2.gz QLOGYUWZTZYOHR-ZBFHGGJFSA-N -1 3 335.448 2.602 40 0 EFABHM C[C@@H](NC(=O)c1cccc2nn[n-]c21)c1cnn(Cc2ccccc2)c1 ZINC000195573633 474098973 /nfs/dbraw/zinc/09/89/73/474098973.db2.gz RILWZRGGBFGUHM-CYBMUJFWSA-N -1 3 346.394 2.694 40 0 EFABHM C[C@@H](NC(=O)c1cccc2[n-]nnc21)c1cnn(Cc2ccccc2)c1 ZINC000195573633 474098980 /nfs/dbraw/zinc/09/89/80/474098980.db2.gz RILWZRGGBFGUHM-CYBMUJFWSA-N -1 3 346.394 2.694 40 0 EFABHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1cnn(Cc2ccccc2)c1 ZINC000195573633 474098988 /nfs/dbraw/zinc/09/89/88/474098988.db2.gz RILWZRGGBFGUHM-CYBMUJFWSA-N -1 3 346.394 2.694 40 0 EFABHM C[C@H](NC(=O)c1cccc2nn[n-]c21)c1cnn(Cc2ccccc2)c1 ZINC000195573634 474099513 /nfs/dbraw/zinc/09/95/13/474099513.db2.gz RILWZRGGBFGUHM-ZDUSSCGKSA-N -1 3 346.394 2.694 40 0 EFABHM C[C@H](NC(=O)c1cccc2[n-]nnc21)c1cnn(Cc2ccccc2)c1 ZINC000195573634 474099518 /nfs/dbraw/zinc/09/95/18/474099518.db2.gz RILWZRGGBFGUHM-ZDUSSCGKSA-N -1 3 346.394 2.694 40 0 EFABHM C[C@H](NC(=O)c1cccc2n[n-]nc21)c1cnn(Cc2ccccc2)c1 ZINC000195573634 474099526 /nfs/dbraw/zinc/09/95/26/474099526.db2.gz RILWZRGGBFGUHM-ZDUSSCGKSA-N -1 3 346.394 2.694 40 0 EFABHM CC(C)(CNC(=O)CC1(C(=O)[O-])CCC1)N1CCc2ccccc2C1 ZINC000195578237 474100357 /nfs/dbraw/zinc/10/03/57/474100357.db2.gz IYYZVXOFIOLQDY-UHFFFAOYSA-N -1 3 344.455 2.585 40 0 EFABHM Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000223317739 474184030 /nfs/dbraw/zinc/18/40/30/474184030.db2.gz BOOFXZBHUOXIDB-UHFFFAOYSA-N -1 3 340.307 2.509 40 0 EFABHM [O-]c1cccnc1NC(=S)NCC1(c2ccccc2)CCOCC1 ZINC000224012136 474192890 /nfs/dbraw/zinc/19/28/90/474192890.db2.gz GOWDHORVJNZSDR-UHFFFAOYSA-N -1 3 343.452 2.822 40 0 EFABHM COc1ccc(F)cc1S(=O)(=O)[N-]CCSC1CCCC1 ZINC000224449887 474198097 /nfs/dbraw/zinc/19/80/97/474198097.db2.gz RLARJIKBUVILHL-UHFFFAOYSA-N -1 3 333.450 2.788 40 0 EFABHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1cccnc1)N2 ZINC000252426456 474657933 /nfs/dbraw/zinc/65/79/33/474657933.db2.gz CCERWOYYIWFMMU-OLUVUFQESA-N -1 3 327.306 2.581 40 0 EFABHM CC(C)c1ccc(CN2CC[C@@H](c3[n-]ncc3S(C)(=O)=O)C2)cc1 ZINC000257283728 474931401 /nfs/dbraw/zinc/93/14/01/474931401.db2.gz OZQGLRDOFNFFOH-MRXNPFEDSA-N -1 3 347.484 2.926 40 0 EFABHM CC(C)c1ccc(CN2CC[C@@H](c3n[n-]cc3S(C)(=O)=O)C2)cc1 ZINC000257283728 474931411 /nfs/dbraw/zinc/93/14/11/474931411.db2.gz OZQGLRDOFNFFOH-MRXNPFEDSA-N -1 3 347.484 2.926 40 0 EFABHM Cc1cccc(CN2CCC[C@@H](c3[n-]ncc3S(C)(=O)=O)C2)c1 ZINC000257283633 474933033 /nfs/dbraw/zinc/93/30/33/474933033.db2.gz OZCYIBLOGMPRRY-OAHLLOKOSA-N -1 3 333.457 2.501 40 0 EFABHM Cc1cccc(CN2CCC[C@@H](c3n[n-]cc3S(C)(=O)=O)C2)c1 ZINC000257283633 474933045 /nfs/dbraw/zinc/93/30/45/474933045.db2.gz OZCYIBLOGMPRRY-OAHLLOKOSA-N -1 3 333.457 2.501 40 0 EFABHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(C)=C(Br)C2)on1 ZINC000281339843 475177675 /nfs/dbraw/zinc/17/76/75/475177675.db2.gz ZBNUHMXMRPFUIA-JTQLQIEISA-N -1 3 328.210 2.685 40 0 EFABHM COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3ccccc3[O-])C2)c1 ZINC000390833234 476803034 /nfs/dbraw/zinc/80/30/34/476803034.db2.gz DXFDUDIPDNZHOA-KRWDZBQOSA-N -1 3 342.351 2.541 40 0 EFABHM CSc1ccc(N(C)S(=O)(=O)c2ccc3nn[n-]c3c2)cc1 ZINC000390834655 476806505 /nfs/dbraw/zinc/80/65/05/476806505.db2.gz LJSLFRCWQIZCRK-UHFFFAOYSA-N -1 3 334.426 2.505 40 0 EFABHM CSc1ccc(N(C)S(=O)(=O)c2ccc3[n-]nnc3c2)cc1 ZINC000390834655 476806511 /nfs/dbraw/zinc/80/65/11/476806511.db2.gz LJSLFRCWQIZCRK-UHFFFAOYSA-N -1 3 334.426 2.505 40 0 EFABHM CSc1ccc(N(C)S(=O)(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000390834655 476806519 /nfs/dbraw/zinc/80/65/19/476806519.db2.gz LJSLFRCWQIZCRK-UHFFFAOYSA-N -1 3 334.426 2.505 40 0 EFABHM O=C([N-]N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)c(Cl)c1 ZINC000408643170 476969872 /nfs/dbraw/zinc/96/98/72/476969872.db2.gz FRUOQVDBAJMQSM-NXEZZACHSA-N -1 3 339.178 2.589 40 0 EFABHM CCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(N)cc2)N1 ZINC000408738513 476972705 /nfs/dbraw/zinc/97/27/05/476972705.db2.gz LFUPHPPZJSMXCP-AWEZNQCLSA-N -1 3 329.322 2.912 40 0 EFABHM CCCN1C(=O)C(=Cc2cc(Cl)c([O-])c(OCC)c2)NC1=S ZINC000409080575 476976843 /nfs/dbraw/zinc/97/68/43/476976843.db2.gz LSTQIIUYGPCABT-XFFZJAGNSA-N -1 3 340.832 2.912 40 0 EFABHM COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)ccc2[O-])C1=O ZINC000409101046 476978376 /nfs/dbraw/zinc/97/83/76/476978376.db2.gz OYNWXUSZDZURNN-PKTIUJEHSA-N -1 3 341.772 2.643 40 0 EFABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccncc1)[C@@]2([O-])C(F)(F)F ZINC000409177475 476979790 /nfs/dbraw/zinc/97/97/90/476979790.db2.gz BEQCVINDNYCTTG-UDZFHETQSA-N -1 3 327.306 2.581 40 0 EFABHM O=C(c1cccc([O-])c1)N1CC2(C1)C[C@H](OCC1CCCC1)CCO2 ZINC000575406126 479438863 /nfs/dbraw/zinc/43/88/63/479438863.db2.gz WHFBQPRHYJPFRK-GOSISDBHSA-N -1 3 345.439 2.973 40 0 EFABHM O=C([O-])c1ccc(CN2CC[C@](O)(Cc3ccc(F)cc3)C2)c(F)c1 ZINC000575883233 479495867 /nfs/dbraw/zinc/49/58/67/479495867.db2.gz KRMISRGUGXVFSC-IBGZPJMESA-N -1 3 347.361 2.843 40 0 EFABHM O=C([O-])c1cccnc1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000647454478 481834588 /nfs/dbraw/zinc/83/45/88/481834588.db2.gz QXWFSKGUYALGGD-UHFFFAOYSA-N -1 3 343.349 2.997 40 0 EFABHM O=c1[n-]c(-c2ccncc2)nc2c1CN(Cc1cccc(F)c1)CC2 ZINC000019293889 202002112 /nfs/dbraw/zinc/00/21/12/202002112.db2.gz CCKRSOOMHGFMQD-UHFFFAOYSA-N -1 3 336.370 2.529 40 0 EFABHM O=c1[n-]c(-c2cccnc2)nc2c1CCN(Cc1ccc(O)cc1)C2 ZINC000019340084 202006297 /nfs/dbraw/zinc/00/62/97/202006297.db2.gz SCVXUUVLFOYVKT-UHFFFAOYSA-N -1 3 334.379 2.508 40 0 EFABHM CC(C)[C@@H](NC(=O)C(C)(C)C)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019445611 202007010 /nfs/dbraw/zinc/00/70/10/202007010.db2.gz DTBJQNBHVSUNQX-OAHLLOKOSA-N -1 3 328.416 2.691 40 0 EFABHM C[C@@H](Cc1cc(=O)[n-]c(NCc2cccc(F)c2)n1)n1cccn1 ZINC000019456759 202008118 /nfs/dbraw/zinc/00/81/18/202008118.db2.gz IGRBHQYGYYACNG-LBPRGKRZSA-N -1 3 327.363 2.521 40 0 EFABHM COc1ccccc1CN1CCC[C@@H](c2nc(C)c(C)c(=O)[n-]2)C1 ZINC000019555416 202011686 /nfs/dbraw/zinc/01/16/86/202011686.db2.gz UDLXPAQTRWQGLT-MRXNPFEDSA-N -1 3 327.428 2.775 40 0 EFABHM Cc1nc(C)c(C(=O)N2CCC[C@H]2c2nc(C(C)C)cc(=O)[n-]2)s1 ZINC000019560085 202012115 /nfs/dbraw/zinc/01/21/15/202012115.db2.gz UPKRWJXOAUIQCH-ZDUSSCGKSA-N -1 3 346.456 2.944 40 0 EFABHM Cc1n[nH]c(C)c1CCc1cc(=O)[n-]c(NCc2ccccc2F)n1 ZINC000019579016 202014139 /nfs/dbraw/zinc/01/41/39/202014139.db2.gz QSNJZRDCLYEILX-UHFFFAOYSA-N -1 3 341.390 2.646 40 0 EFABHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)N1CCc2sccc2C1 ZINC000022474728 202085850 /nfs/dbraw/zinc/08/58/50/202085850.db2.gz CJYKXLVHYLQJOU-LLVKDONJSA-N -1 3 331.393 2.584 40 0 EFABHM CCO[N-]C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000023422357 202104595 /nfs/dbraw/zinc/10/45/95/202104595.db2.gz STZZMZANOZSYHS-OAHLLOKOSA-N -1 3 326.396 2.760 40 0 EFABHM O=C(CCc1ccccc1)Nc1ccc(NC(=O)c2nc[n-]n2)cc1 ZINC000035684113 213046290 /nfs/dbraw/zinc/04/62/90/213046290.db2.gz VXEGKXSRJGVCHI-UHFFFAOYSA-N -1 3 335.367 2.628 40 0 EFABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)cc1 ZINC000073314478 202369692 /nfs/dbraw/zinc/36/96/92/202369692.db2.gz QAGUOVXXICQQAY-UHFFFAOYSA-N -1 3 334.441 2.866 40 0 EFABHM O=S(=O)([N-]c1cc(F)ccc1Br)c1cccnc1 ZINC000191966531 239408942 /nfs/dbraw/zinc/40/89/42/239408942.db2.gz GPYJEGIEHHWQKE-UHFFFAOYSA-N -1 3 331.166 2.784 40 0 EFABHM Cc1ccc([O-])c(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c1 ZINC000023102719 212348025 /nfs/dbraw/zinc/34/80/25/212348025.db2.gz SSHNQKDTVHEGDA-UHFFFAOYSA-N -1 3 344.455 2.955 40 0 EFABHM NN=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2s1 ZINC000216778741 241209834 /nfs/dbraw/zinc/20/98/34/241209834.db2.gz MIAYNDSYHQLPCB-UHFFFAOYSA-N -1 3 338.389 2.522 40 0 EFABHM CCOC(=O)c1c(C)oc2nc(CN3CCC(C)CC3)[n-]c(=O)c21 ZINC000021578917 212233167 /nfs/dbraw/zinc/23/31/67/212233167.db2.gz SVZPWDPTZBGQTC-UHFFFAOYSA-N -1 3 333.388 2.645 40 0 EFABHM Cc1cc(C)nc([N-]c2cncc([C@@H]3CCCN3c3ncccn3)n2)n1 ZINC000072376325 203208943 /nfs/dbraw/zinc/20/89/43/203208943.db2.gz CWHZZGSAUFCUEF-HNNXBMFYSA-N -1 3 348.414 2.759 40 0 EFABHM Cc1nc([C@@H]2CN(Cc3ccc4ncccc4c3)CCO2)cc(=O)[n-]1 ZINC000257239471 244238428 /nfs/dbraw/zinc/23/84/28/244238428.db2.gz HPJXEPCFODHTFW-SFHVURJKSA-N -1 3 336.395 2.612 40 0 EFABHM c1sc([N-]c2cnccn2)nc1[C@@H]1CCCN(c2ncccn2)C1 ZINC000072363624 203206721 /nfs/dbraw/zinc/20/67/21/203206721.db2.gz WJRQRSBMRJQSDM-GFCCVEGCSA-N -1 3 339.428 2.851 40 0 EFABHM O=c1cc([C@H]2CCCN(Cc3cccnc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392916 203213533 /nfs/dbraw/zinc/21/35/33/203213533.db2.gz VTEXRHLRWGMJFA-KRWDZBQOSA-N -1 3 347.422 2.607 40 0 EFABHM Cn1cc(C(=O)[N-]c2nnc(C(C)(C)C)s2)c(C(F)(F)F)n1 ZINC000132389195 205323309 /nfs/dbraw/zinc/32/33/09/205323309.db2.gz 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474216059 /nfs/dbraw/zinc/21/60/59/474216059.db2.gz KCLGJWIQBXMPGB-UHFFFAOYSA-N -1 3 335.411 2.619 40 0 EFABHM Cc1ccc(N2CCCN(C(=O)c3cccc4nn[n-]c43)CC2)cc1 ZINC000225477814 474216067 /nfs/dbraw/zinc/21/60/67/474216067.db2.gz KCLGJWIQBXMPGB-UHFFFAOYSA-N -1 3 335.411 2.619 40 0 EFABHM Cc1ccc(N2CCCN(C(=O)c3cccc4n[n-]nc43)CC2)cc1 ZINC000225477814 474216072 /nfs/dbraw/zinc/21/60/72/474216072.db2.gz KCLGJWIQBXMPGB-UHFFFAOYSA-N -1 3 335.411 2.619 40 0 EFABHM CC(C)c1ccoc1C(=O)NCCCNC(=O)c1ccc([O-])cc1 ZINC000252488413 474675082 /nfs/dbraw/zinc/67/50/82/474675082.db2.gz IRKOPAJHFBWPTI-UHFFFAOYSA-N -1 3 330.384 2.659 40 0 EFABHM C[C@@H](C1CCCCC1)N(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000252498827 474681840 /nfs/dbraw/zinc/68/18/40/474681840.db2.gz RMVYCYJOFKWHQO-VIFPVBQESA-N -1 3 333.358 2.934 40 0 EFABHM C[C@@H](C1CCCCC1)N(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000252498827 474681849 /nfs/dbraw/zinc/68/18/49/474681849.db2.gz RMVYCYJOFKWHQO-VIFPVBQESA-N -1 3 333.358 2.934 40 0 EFABHM C[C@@H](C1CCCCC1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000252498827 474681858 /nfs/dbraw/zinc/68/18/58/474681858.db2.gz RMVYCYJOFKWHQO-VIFPVBQESA-N -1 3 333.358 2.934 40 0 EFABHM COCCN1CCC[C@@H](c2nccnc2-c2cccc(C(=O)[O-])c2)C1 ZINC000257278787 474927060 /nfs/dbraw/zinc/92/70/60/474927060.db2.gz ODRBVNKALXHUGK-MRXNPFEDSA-N -1 3 341.411 2.668 40 0 EFABHM Cc1cc(=O)[n-]c([C@@H]2CN(Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257288510 474934565 /nfs/dbraw/zinc/93/45/65/474934565.db2.gz PUKRXQKAFQMZOZ-KRWDZBQOSA-N -1 3 336.395 2.612 40 0 EFABHM Cc1cncc(C2CCN(Cc3ccccc3OCC(=O)[O-])CC2)n1 ZINC000257296018 474937966 /nfs/dbraw/zinc/93/79/66/474937966.db2.gz RAWBLNBKJINCFG-UHFFFAOYSA-N -1 3 341.411 2.628 40 0 EFABHM C[C@@]1(O)CCN(Cc2ccc(C(=O)[O-])cc2)C[C@H]1Oc1ccccc1 ZINC000257309012 474945285 /nfs/dbraw/zinc/94/52/85/474945285.db2.gz TZDVTPPIALCZET-UYAOXDASSA-N -1 3 341.407 2.789 40 0 EFABHM COc1cc(C=O)ccc1OCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000408600089 476968434 /nfs/dbraw/zinc/96/84/34/476968434.db2.gz 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ZINC000585280066 479308665 /nfs/dbraw/zinc/30/86/65/479308665.db2.gz XQRRLKMGVJXJQS-MOPGFXCFSA-N -1 3 325.408 2.810 40 0 EFABHM Cc1ccc(CN2CC[C@@H](Oc3cccnc3)[C@H](CC(=O)[O-])C2)cn1 ZINC000585285547 479310188 /nfs/dbraw/zinc/31/01/88/479310188.db2.gz KLBPSKRJZGRMHI-SJLPKXTDSA-N -1 3 341.411 2.529 40 0 EFABHM C=CC(=O)N1CCC[C@@H](c2nccnc2[N-]c2nc(C)c(C)s2)C1 ZINC000585291461 479310299 /nfs/dbraw/zinc/31/02/99/479310299.db2.gz PXISQCGJWOYZKA-CYBMUJFWSA-N -1 3 343.456 3.186 40 0 EFABHM C[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCO[C@H]1C1CC1 ZINC000680108604 549255927 /nfs/dbraw/zinc/25/59/27/549255927.db2.gz BPRFVLXLJFONAE-KBPBESRZSA-N -1 3 333.812 2.715 40 0 EFABHM C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCO[C@H]1C1CC1 ZINC000680108606 549256238 /nfs/dbraw/zinc/25/62/38/549256238.db2.gz BPRFVLXLJFONAE-UONOGXRCSA-N -1 3 333.812 2.715 40 0 EFABHM CCN1CCC[C@@H]1CNC(=O)c1c([O-])c(Cl)cc(Cl)c1OC ZINC000026401317 1099432284 /nfs/dbraw/zinc/43/22/84/1099432284.db2.gz WAOQONBSWFLFPE-SECBINFHSA-N -1 3 347.242 2.922 40 0 in-vitro EFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1CO ZINC000054040868 214212087 /nfs/dbraw/zinc/21/20/87/214212087.db2.gz TVLFTDJIBMOMKL-UHFFFAOYSA-N -1 3 347.436 2.867 40 0 EFABHM Cc1ccc(NC(=O)C[C@H](NCc2ccccn2)C(=O)[O-])cc1Cl ZINC000004139478 210130427 /nfs/dbraw/zinc/13/04/27/210130427.db2.gz CWGYSNDQFQOIEC-HNNXBMFYSA-N -1 3 347.802 2.615 40 0 EFABHM Cc1ccc([C@@H](C(=O)[O-])N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000101750102 219160636 /nfs/dbraw/zinc/16/06/36/219160636.db2.gz NYSASCGYJCTPJA-CABCVRRESA-N -1 3 334.416 2.720 40 0 EFABHM Cc1ccccc1CS(=O)(=O)[N-]Cc1nc(-c2cccs2)no1 ZINC000036133431 213071683 /nfs/dbraw/zinc/07/16/83/213071683.db2.gz JAJINWIZUWOCOS-UHFFFAOYSA-N -1 3 349.437 2.726 40 0 EFABHM Cc1cccc(CS(=O)(=O)[N-]Cc2nc(-c3cccs3)no2)c1 ZINC000036133434 213071070 /nfs/dbraw/zinc/07/10/70/213071070.db2.gz VNYNEPYILHAJSN-UHFFFAOYSA-N -1 3 349.437 2.726 40 0 EFABHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccs1)c1ccccc1Cl ZINC000036090947 213061994 /nfs/dbraw/zinc/06/19/94/213061994.db2.gz YEWYGBLVDMQHDM-ZDUSSCGKSA-N -1 3 344.889 2.983 40 0 EFABHM O=c1[n-]c(N2CCCCC2)nc2c1CCN(Cc1cccs1)C2 ZINC000072335467 216157127 /nfs/dbraw/zinc/15/71/27/216157127.db2.gz ONVYEHCCQPRPCN-UHFFFAOYSA-N -1 3 330.457 2.792 40 0 EFABHM O=C([O-])CCc1cccc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072367074 216173524 /nfs/dbraw/zinc/17/35/24/216173524.db2.gz LCVJVYITBKYLMO-MRXNPFEDSA-N -1 3 325.412 2.873 40 0 EFABHM O=c1cc([C@@H]2CCCN(Cc3ccncc3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393076 216191498 /nfs/dbraw/zinc/19/14/98/216191498.db2.gz BEMSKFYODNEQOH-QGZVFWFLSA-N -1 3 347.422 2.607 40 0 EFABHM CN(C(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000216438123 241191598 /nfs/dbraw/zinc/19/15/98/241191598.db2.gz NVDZCSSPZMUKMJ-UHFFFAOYSA-N -1 3 338.816 2.988 40 0 EFABHM CN(C(=O)c1cc([N-]S(C)(=O)=O)ccc1Cl)c1ccccc1 ZINC000020451305 212129862 /nfs/dbraw/zinc/12/98/62/212129862.db2.gz ISFLOLWROHYZCO-UHFFFAOYSA-N -1 3 338.816 2.988 40 0 EFABHM O=C(C1CCCC1)N1CC[C@@H](c2ccnc([N-]c3cnccn3)n2)C1 ZINC000257200200 244119086 /nfs/dbraw/zinc/11/90/86/244119086.db2.gz ACJNAQRAACPQHL-CQSZACIVSA-N -1 3 338.415 2.516 40 0 EFABHM CN1CCN(Cc2ccccc2OCC(=O)[O-])C[C@H]1c1ccccc1 ZINC000257201738 244122286 /nfs/dbraw/zinc/12/22/86/244122286.db2.gz AIVZTNUBNBVAHA-SFHVURJKSA-N -1 3 340.423 2.639 40 0 EFABHM Cc1nc([C@@H]2COCCN2C(=O)CCC2CCCCC2)cc(=O)[n-]1 ZINC000257210366 244147639 /nfs/dbraw/zinc/14/76/39/244147639.db2.gz BUHUCTQHPQUKLN-INIZCTEOSA-N -1 3 333.432 2.751 40 0 EFABHM Cc1nc([C@@H]2CN(Cc3ccnc4ccccc34)CCO2)cc(=O)[n-]1 ZINC000257255349 244279979 /nfs/dbraw/zinc/27/99/79/244279979.db2.gz KHCQBMLKZQMCQJ-SFHVURJKSA-N -1 3 336.395 2.612 40 0 EFABHM Cc1cc2nc(C3CCN(CCC(F)(F)F)CC3)cc(=O)n2[n-]1 ZINC000257265629 244360337 /nfs/dbraw/zinc/36/03/37/244360337.db2.gz LZNZCXHMEVZPRQ-UHFFFAOYSA-N -1 3 328.338 2.875 40 0 EFABHM Cc1nc(C)c(CC(=O)Nc2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000019937426 212087071 /nfs/dbraw/zinc/08/70/71/212087071.db2.gz NOCGCYHZFKNKTM-UHFFFAOYSA-N -1 3 326.183 2.875 40 0 EFABHM CCc1cc(=O)[n-]c([C@@H]2CCCN(Cc3ccccc3OC)C2)n1 ZINC000019522516 212036624 /nfs/dbraw/zinc/03/66/24/212036624.db2.gz KGMHPOAKDQRLFT-OAHLLOKOSA-N -1 3 327.428 2.721 40 0 EFABHM CC(C)c1nc2c(c(=O)[n-]1)CCN(Cc1ccc(F)c(F)c1)CC2 ZINC000019453747 212028808 /nfs/dbraw/zinc/02/88/08/212028808.db2.gz QULMWNKPLGXAPG-UHFFFAOYSA-N -1 3 333.382 2.772 40 0 EFABHM O=c1[n-]c(-c2cccnc2)nc2c1CN(Cc1ccccc1F)CC2 ZINC000019349323 212019761 /nfs/dbraw/zinc/01/97/61/212019761.db2.gz XCDHSMOCFAKTPD-UHFFFAOYSA-N -1 3 336.370 2.529 40 0 EFABHM O=C(c1cc(Br)cs1)N1NC=C[C@@]1([O-])C(F)(F)F ZINC000006828521 296168834 /nfs/dbraw/zinc/16/88/34/296168834.db2.gz PUMIAUDYMQGFBO-MRVPVSSYSA-N -1 3 343.124 2.593 40 0 EFABHM Cc1nc(C(=O)Nc2cccc(CCc3ccncc3)c2)cc(=O)[n-]1 ZINC000019240932 212009734 /nfs/dbraw/zinc/00/97/34/212009734.db2.gz ROPJCPCOTCUFFT-UHFFFAOYSA-N -1 3 334.379 2.511 40 0 EFABHM Cc1ccc(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)s1 ZINC000019217241 212006004 /nfs/dbraw/zinc/00/60/04/212006004.db2.gz CZIRXXFFQGRYTN-UHFFFAOYSA-N -1 3 338.436 2.760 40 0 EFABHM Cc1nc(CN2CCC(CNC(=O)c3ccccc3[O-])CC2)cs1 ZINC000078930218 217150168 /nfs/dbraw/zinc/15/01/68/217150168.db2.gz RUJUKPSLAKYNKY-UHFFFAOYSA-N -1 3 345.468 2.799 40 0 EFABHM Cc1cc(S(=O)(=O)[N-]Cc2cccnc2)sc1Br ZINC000081037255 217355326 /nfs/dbraw/zinc/35/53/26/217355326.db2.gz DCQHIDZUDOLXJL-UHFFFAOYSA-N -1 3 347.259 2.693 40 0 EFABHM C[C@H]1C[C@H]1C(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000012239476 211328793 /nfs/dbraw/zinc/32/87/93/211328793.db2.gz JIPBTPSVCFUKDV-GXTWGEPZSA-N -1 3 338.411 2.606 40 0 EFABHM Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000011635322 211227966 /nfs/dbraw/zinc/22/79/66/211227966.db2.gz JSFAVXBNMLWBKZ-UHFFFAOYSA-N -1 3 337.788 2.619 40 0 EFABHM CC(C)(C)c1cc(=O)c2c([n-]n(-c3nc4ccccc4s3)c2=O)[nH]1 ZINC000010152695 211150199 /nfs/dbraw/zinc/15/01/99/211150199.db2.gz DIQOJXFDHWSNEY-UHFFFAOYSA-N -1 3 340.408 2.914 40 0 EFABHM CC(C)(C)c1cc(=O)c2c(nn(-c3nc4ccccc4s3)c2[O-])[nH]1 ZINC000010152695 211150203 /nfs/dbraw/zinc/15/02/03/211150203.db2.gz DIQOJXFDHWSNEY-UHFFFAOYSA-N -1 3 340.408 2.914 40 0 EFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000009053621 211035735 /nfs/dbraw/zinc/03/57/35/211035735.db2.gz ZSHUWBCYVJEVSG-UHFFFAOYSA-N -1 3 339.800 2.605 40 0 EFABHM COc1ccsc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000095415328 218353478 /nfs/dbraw/zinc/35/34/78/218353478.db2.gz JNZTVGQFNFICIM-MWLCHTKSSA-N -1 3 345.392 2.869 40 0 EFABHM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C)c1CNC ZINC000004950155 210337545 /nfs/dbraw/zinc/33/75/45/210337545.db2.gz AXPJMIKGUGFBST-UHFFFAOYSA-N -1 3 341.205 2.543 40 0 EFABHM CCOc1cc([C@@H](N)c2nc(-c3ccccc3[O-])n[nH]2)ccc1OC ZINC000095534367 257699731 /nfs/dbraw/zinc/69/97/31/257699731.db2.gz MHADHZVXMFYYHY-MRXNPFEDSA-N -1 3 340.383 2.633 40 0 EFABHM CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(Cl)c1[O-] ZINC000409005931 257883056 /nfs/dbraw/zinc/88/30/56/257883056.db2.gz HGKHWTNMTOJPDV-POHAHGRESA-N -1 3 326.805 2.522 40 0 EFABHM O=c1[n-]c(-c2cccnc2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000072339837 275061964 /nfs/dbraw/zinc/06/19/64/275061964.db2.gz BBZXRRPBNHEHIX-UHFFFAOYSA-N -1 3 336.370 2.942 40 0 EFABHM COC(=O)c1cc(I)c(C(F)(F)F)cc1[O-] ZINC000039951660 277422732 /nfs/dbraw/zinc/42/27/32/277422732.db2.gz RKMFBGVZSJDQRC-UHFFFAOYSA-N -1 3 346.042 2.802 40 0 EFABHM Cc1c([O-])c(C)c2c(c1O)C(=O)[C@@H](Cc1ccc3c(c1)OCO3)CO2 ZINC000013481900 278607072 /nfs/dbraw/zinc/60/70/72/278607072.db2.gz BXTNNJIQILYHJB-LBPRGKRZSA-N -1 3 342.347 2.877 40 0 biogenic,in-vitro EFABHM O=C1[N-]C(=O)[C@@]2(N1)c1ccccc1-c1ccc(Br)cc12 ZINC000004913639 280280076 /nfs/dbraw/zinc/28/00/76/280280076.db2.gz CJYKMYGVSCEMHX-OAHLLOKOSA-N -1 3 329.153 2.513 40 0 EFABHM CN(C)C(=O)[C@H]1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257217487 289023535 /nfs/dbraw/zinc/02/35/35/289023535.db2.gz CZEDVAMITYGZAM-ZDUSSCGKSA-N -1 3 342.395 2.555 40 0 EFABHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000127700179 293937945 /nfs/dbraw/zinc/93/79/45/293937945.db2.gz HDKUHDCPBQMBHW-CYBMUJFWSA-N -1 3 336.413 2.872 40 0 EFABHM COc1ccc2c(c1)CCC[C@H]2C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000331763809 311417351 /nfs/dbraw/zinc/41/73/51/311417351.db2.gz HMSPRHJJNIIRJI-AWEZNQCLSA-N -1 3 335.425 2.995 40 0 EFABHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]C1CCC(F)(F)CC1 ZINC000534132090 317533365 /nfs/dbraw/zinc/53/33/65/317533365.db2.gz PIOSPUBJDAAEPE-UHFFFAOYSA-N -1 3 335.420 2.937 40 0 EFABHM Cc1cc(C[N-]S(=O)(=O)c2cccc(Br)c2C)no1 ZINC000096446599 473424189 /nfs/dbraw/zinc/42/41/89/473424189.db2.gz QGMWZNXYTPWQLZ-UHFFFAOYSA-N -1 3 345.218 2.532 40 0 EFABHM Cc1ccc(Cn2nnc(C(=O)[N-]c3nccs3)c2Cl)cc1 ZINC000096183404 473324378 /nfs/dbraw/zinc/32/43/78/473324378.db2.gz AHKKBWVKKJWDBZ-UHFFFAOYSA-N -1 3 333.804 2.997 40 0 EFABHM O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cnn[n-]1 ZINC000096408637 473386443 /nfs/dbraw/zinc/38/64/43/473386443.db2.gz WZCFACWTFHEFMG-HSZRJFAPSA-N -1 3 332.429 2.638 40 0 EFABHM O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1c[n-]nn1 ZINC000096408637 473386449 /nfs/dbraw/zinc/38/64/49/473386449.db2.gz WZCFACWTFHEFMG-HSZRJFAPSA-N -1 3 332.429 2.638 40 0 EFABHM O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cn[n-]n1 ZINC000096408637 473386455 /nfs/dbraw/zinc/38/64/55/473386455.db2.gz WZCFACWTFHEFMG-HSZRJFAPSA-N -1 3 332.429 2.638 40 0 EFABHM C[C@@H]1CCCC[C@H]1NC(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000096409176 473388043 /nfs/dbraw/zinc/38/80/43/473388043.db2.gz LONHIYCIGLOACI-VXGBXAGGSA-N -1 3 331.445 2.654 40 0 EFABHM CCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(OC)c(OC)c2)N1 ZINC000000248754 471339896 /nfs/dbraw/zinc/33/98/96/471339896.db2.gz LGUBKLZCIXBWOA-AWEZNQCLSA-N -1 3 346.305 2.567 40 0 EFABHM CC(C)CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2cccc([O-])c2)N1 ZINC000000279563 471342865 /nfs/dbraw/zinc/34/28/65/471342865.db2.gz ZTUBQMZCLVLIJD-AWEZNQCLSA-N -1 3 330.306 2.891 40 0 EFABHM COc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1[O-] ZINC000000559984 471371476 /nfs/dbraw/zinc/37/14/76/471371476.db2.gz DZEPKCKCEYATRA-UHFFFAOYSA-N -1 3 332.381 2.536 40 0 EFABHM CCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)CCc2ccccc2O)N1 ZINC000000814221 471376097 /nfs/dbraw/zinc/37/60/97/471376097.db2.gz JJARCHFROJHLTJ-CQSZACIVSA-N -1 3 330.306 2.574 40 0 EFABHM CCN1CC[C@@](O)(c2ccc(O)cc2)[C@H](C(=O)c2ccc([O-])cc2)C1 ZINC000005807732 471520977 /nfs/dbraw/zinc/52/09/77/471520977.db2.gz MCZXWOOFKFFDNJ-AZUAARDMSA-N -1 3 341.407 2.510 40 0 EFABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccc([O-])cc1)[C@]2(O)C(F)(F)F ZINC000006523027 471548492 /nfs/dbraw/zinc/54/84/92/471548492.db2.gz NZLZBOUCBAEGKY-MURWCNHISA-N -1 3 342.317 2.891 40 0 EFABHM CCOc1cc(C(=O)CCC(=O)OCC(=O)c2ccc[nH]2)ccc1[O-] ZINC000007735503 471633765 /nfs/dbraw/zinc/63/37/65/471633765.db2.gz BCSRISXEHMHMKS-UHFFFAOYSA-N -1 3 345.351 2.508 40 0 EFABHM Cc1ccc(OCCC(=O)OCc2nc3ccsc3c(=O)[n-]2)cc1 ZINC000013006037 471812690 /nfs/dbraw/zinc/81/26/90/471812690.db2.gz JBTCMLUZJRNCQC-UHFFFAOYSA-N -1 3 344.392 2.805 40 0 EFABHM COc1ccc(NC(=O)[C@@H]2CC(c3ccccc3[O-])=NO2)cc1OC 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CS(=O)(=O)[N-]c1ccccc1NC(=O)CCCOc1ccccc1 ZINC000024883437 472072100 /nfs/dbraw/zinc/07/21/00/472072100.db2.gz DGZSGZJVFYXMLX-UHFFFAOYSA-N -1 3 348.424 2.856 40 0 EFABHM Cc1nc(N2CCN(Cc3ccccc3)CC2)[n-]c(=O)c1CC(C)C ZINC000054473396 472090355 /nfs/dbraw/zinc/09/03/55/472090355.db2.gz QTWYZLDQQDUUIS-UHFFFAOYSA-N -1 3 340.471 2.599 40 0 EFABHM CCCn1c(C)nnc1SCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000089706566 472491026 /nfs/dbraw/zinc/49/10/26/472491026.db2.gz QCDYYKAQAYIHRF-UHFFFAOYSA-N -1 3 333.339 2.803 40 0 EFABHM CO[N-]C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000058158171 472509257 /nfs/dbraw/zinc/50/92/57/472509257.db2.gz YMMCDNBJXSRJGU-UHFFFAOYSA-N -1 3 325.343 2.899 40 0 EFABHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000060066264 472634749 /nfs/dbraw/zinc/63/47/49/472634749.db2.gz LRQLBNKFJUSHOK-UHFFFAOYSA-N -1 3 334.319 2.789 40 0 EFABHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCC1)c1ccccc1F ZINC000047031893 472646281 /nfs/dbraw/zinc/64/62/81/472646281.db2.gz GYXNPGRBEQMBSM-CQSZACIVSA-N -1 3 338.404 2.534 40 0 EFABHM CCOC(=O)c1c([O-])c(C(=O)OCC)n(C)c1-c1ccc(F)cc1 ZINC000062709984 472746538 /nfs/dbraw/zinc/74/65/38/472746538.db2.gz OZYWHKDYBWEISS-UHFFFAOYSA-N -1 3 335.331 2.890 40 0 EFABHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000048332686 472858498 /nfs/dbraw/zinc/85/84/98/472858498.db2.gz GMXNADLAIUZAEN-UHFFFAOYSA-N -1 3 349.408 2.738 40 0 EFABHM CN1C(=O)CCc2cc(S(=O)(=O)[N-]c3ccccc3F)ccc21 ZINC000049649624 472955632 /nfs/dbraw/zinc/95/56/32/472955632.db2.gz NRYAVPVBTPYVDI-UHFFFAOYSA-N -1 3 334.372 2.536 40 0 EFABHM C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081459094 473202524 /nfs/dbraw/zinc/20/25/24/473202524.db2.gz LLCYBPUZXFPHNP-SCZZXKLOSA-N -1 3 330.306 2.512 40 0 EFABHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CCc2cccs2)c1 ZINC000096426584 473406512 /nfs/dbraw/zinc/40/65/12/473406512.db2.gz XNMXIHBHMMDNTA-UHFFFAOYSA-N -1 3 338.454 2.999 40 0 EFABHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2)C2CC2)n1 ZINC000096428406 473408387 /nfs/dbraw/zinc/40/83/87/473408387.db2.gz PIIXFGUEIHLAEV-LBPRGKRZSA-N -1 3 343.861 2.930 40 0 EFABHM CC(C)OCCS(=O)(=O)[N-]c1cc(F)cc(N2CCCC2)c1 ZINC000096452486 473428902 /nfs/dbraw/zinc/42/89/02/473428902.db2.gz GRBKAPXAEWXWNA-UHFFFAOYSA-N -1 3 330.425 2.593 40 0 EFABHM CC[C@H](C)Oc1cc(C(=O)Nc2n[n-]c(-c3ccoc3)n2)ccn1 ZINC000096494996 473450878 /nfs/dbraw/zinc/45/08/78/473450878.db2.gz KNNQIYWXHKHENO-JTQLQIEISA-N -1 3 327.344 2.889 40 0 EFABHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CCc3cc(F)ccc32)c1 ZINC000174005825 473972694 /nfs/dbraw/zinc/97/26/94/473972694.db2.gz BXNDJRKOHXUVBU-HNNXBMFYSA-N -1 3 337.420 2.644 40 0 EFABHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H]2CCc3cc(F)ccc32)c1 ZINC000174005816 473973264 /nfs/dbraw/zinc/97/32/64/473973264.db2.gz BXNDJRKOHXUVBU-OAHLLOKOSA-N -1 3 337.420 2.644 40 0 EFABHM CCN(CC)C(=O)[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000195556698 474094285 /nfs/dbraw/zinc/09/42/85/474094285.db2.gz BEEQNUIYKASEGK-KRWDZBQOSA-N -1 3 326.396 2.732 40 0 EFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCCOC1CCCC1 ZINC000223195668 474180627 /nfs/dbraw/zinc/18/06/27/474180627.db2.gz MNFFGUBNMWICOM-UHFFFAOYSA-N -1 3 347.864 2.976 40 0 EFABHM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000223286974 474182367 /nfs/dbraw/zinc/18/23/67/474182367.db2.gz PGVUZJZVLYSCJY-KPKJPENVSA-N -1 3 330.409 2.555 40 0 EFABHM CCOc1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1 ZINC000223318672 474183510 /nfs/dbraw/zinc/18/35/10/474183510.db2.gz GFFPHEHWSGRFKE-UHFFFAOYSA-N -1 3 348.380 2.629 40 0 EFABHM CCCc1ccc(OCC[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000225196256 474204106 /nfs/dbraw/zinc/20/41/06/474204106.db2.gz UUIOSDDQNLJAMO-UHFFFAOYSA-N -1 3 338.429 2.601 40 0 EFABHM CC(C)(C)n1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)nn1 ZINC000225708424 474236904 /nfs/dbraw/zinc/23/69/04/474236904.db2.gz VGVYLJSBKIDSFF-QINSGFPZSA-N -1 3 335.411 2.900 40 0 EFABHM Cc1ccc(CN2CC[C@@H](N(C)Cc3cccnc3)C[C@H]2C(=O)[O-])o1 ZINC000248136443 474266840 /nfs/dbraw/zinc/26/68/40/474266840.db2.gz RXWVAHCYQUSCHJ-AEFFLSMTSA-N -1 3 343.427 2.533 40 0 EFABHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3ccccc3Cl)CC2)n1 ZINC000238869258 474542543 /nfs/dbraw/zinc/54/25/43/474542543.db2.gz MMOBKALRNIJUFW-UHFFFAOYSA-N -1 3 346.818 2.543 40 0 EFABHM [O-]c1ccc(Br)c(CN2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000252487610 474673696 /nfs/dbraw/zinc/67/36/96/474673696.db2.gz ZMPIIVDGFFOPRR-CABCVRRESA-N -1 3 342.233 2.535 40 0 EFABHM O=C([O-])COc1ccccc1CN1CCC(Cc2ccncc2)CC1 ZINC000257286229 474932495 /nfs/dbraw/zinc/93/24/95/474932495.db2.gz PKULDRZGYACMKH-UHFFFAOYSA-N -1 3 340.423 3.000 40 0 EFABHM O=c1[n-]c([C@@H]2CCCCN2)nc2c1CCN(Cc1cccs1)C2 ZINC000257287590 474933270 /nfs/dbraw/zinc/93/32/70/474933270.db2.gz PQPJZZMEDPFIOH-AWEZNQCLSA-N -1 3 330.457 2.617 40 0 EFABHM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(Cl)ccc1Br ZINC000296032582 475172146 /nfs/dbraw/zinc/17/21/46/475172146.db2.gz SDXFWRLLORNENF-ZETCQYMHSA-N -1 3 342.642 2.879 40 0 EFABHM CC(C)C1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(F)cc2)N1 ZINC000409358125 476982441 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COc1ccc(NC(=O)C[C@@H](N[C@@H](C)c2ccccc2)C(=O)[O-])cc1 ZINC000002698040 209891621 /nfs/dbraw/zinc/89/16/21/209891621.db2.gz MDEOZGUOSJBKQF-SUMWQHHRSA-N -1 3 342.395 2.828 40 0 EFABHM Cc1cccc(CS(=O)(=O)[N-]Cc2nc(-c3ccccc3)no2)c1 ZINC000041151911 213427129 /nfs/dbraw/zinc/42/71/29/213427129.db2.gz KXVMCZHQGSUXRX-UHFFFAOYSA-N -1 3 343.408 2.665 40 0 EFABHM CCOC(=O)[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(SC)cc2)C1 ZINC000035622924 213042905 /nfs/dbraw/zinc/04/29/05/213042905.db2.gz NWIRMAUXRXJNSL-ZFWWWQNUSA-N -1 3 337.441 2.809 40 0 EFABHM Cc1ccc(CN2CCc3c(nc(N4CCC(C)CC4)[n-]c3=O)C2)o1 ZINC000072335500 216158170 /nfs/dbraw/zinc/15/81/70/216158170.db2.gz XJEDIQYVOXVMJV-UHFFFAOYSA-N -1 3 342.443 2.878 40 0 EFABHM O=C([O-])CCc1cccc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072367075 216172811 /nfs/dbraw/zinc/17/28/11/216172811.db2.gz LCVJVYITBKYLMO-INIZCTEOSA-N -1 3 325.412 2.873 40 0 EFABHM c1cncc(CN2CCC[C@@H]2c2ccnc([N-]c3cnccn3)n2)c1 ZINC000072377643 216178871 /nfs/dbraw/zinc/17/88/71/216178871.db2.gz 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O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)cc1 ZINC000007026629 471585468 /nfs/dbraw/zinc/58/54/68/471585468.db2.gz CUAKJAQTVRYXBN-UHFFFAOYSA-N -1 3 335.083 2.838 40 0 EFABHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)cc1 ZINC000007026629 471585474 /nfs/dbraw/zinc/58/54/74/471585474.db2.gz CUAKJAQTVRYXBN-UHFFFAOYSA-N -1 3 335.083 2.838 40 0 EFABHM O=C1CCc2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)ccc2N1 ZINC000007418582 471613594 /nfs/dbraw/zinc/61/35/94/471613594.db2.gz MNASBCSLWJIHBI-UHFFFAOYSA-N -1 3 338.335 2.650 40 0 EFABHM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)cc1OC ZINC000007428524 471613825 /nfs/dbraw/zinc/61/38/25/471613825.db2.gz RABKTAQGAPHZPQ-UHFFFAOYSA-N -1 3 325.361 2.952 40 0 EFABHM Cc1ccc(-c2cc([N-]C(=O)CN3C[C@@H](C)O[C@@H](C)C3)on2)cc1 ZINC000014118440 471853098 /nfs/dbraw/zinc/85/30/98/471853098.db2.gz QPFXJGRQTDZFOQ-OKILXGFUSA-N -1 3 329.400 2.698 40 0 EFABHM COC(=O)c1c(C)c(Oc2cc(C)cc(O)c2CO)c([O-])c(C)c1O ZINC000014653309 471876637 /nfs/dbraw/zinc/87/66/37/471876637.db2.gz 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472348165 /nfs/dbraw/zinc/34/81/65/472348165.db2.gz XGDRILONCFJQBP-ZDUSSCGKSA-N -1 3 332.425 2.858 40 0 EFABHM O=c1c2ccccc2nc(Cc2nc[n-]n2)n1-c1ccccc1Cl ZINC000030835715 472349845 /nfs/dbraw/zinc/34/98/45/472349845.db2.gz LPEKDMCPXKZAPW-UHFFFAOYSA-N -1 3 337.770 2.748 40 0 EFABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2c(F)cccc2F)cc1 ZINC000078326041 472696228 /nfs/dbraw/zinc/69/62/28/472696228.db2.gz GBGKLJCMVZMVBR-UHFFFAOYSA-N -1 3 326.324 2.589 40 0 EFABHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000048340764 472860543 /nfs/dbraw/zinc/86/05/43/472860543.db2.gz BSBVLFFOZRAFRI-UHFFFAOYSA-N -1 3 349.408 2.738 40 0 EFABHM Cc1noc(C)c1S(=O)(=O)[N-]CCCc1ccccc1Cl ZINC000107311586 472942631 /nfs/dbraw/zinc/94/26/31/472942631.db2.gz JKJGIHCDMSKBHI-UHFFFAOYSA-N -1 3 328.821 2.856 40 0 EFABHM C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081459097 473202632 /nfs/dbraw/zinc/20/26/32/473202632.db2.gz LLCYBPUZXFPHNP-WCBMZHEXSA-N -1 3 330.306 2.512 40 0 EFABHM CC(C)n1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(F)(F)F)cn1 ZINC000096427663 473407552 /nfs/dbraw/zinc/40/75/52/473407552.db2.gz YCYWFXANUVRAHK-NEPJUHHUSA-N -1 3 339.383 2.863 40 0 EFABHM CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cccc([O-])c2)c1 ZINC000182084730 474095065 /nfs/dbraw/zinc/09/50/65/474095065.db2.gz AVDVHGKFDMSLCI-ZDUSSCGKSA-N -1 3 326.396 2.851 40 0 EFABHM Cc1ccc([C@@H]2CSCCN2C(=O)c2cccc3[n-]nnc32)o1 ZINC000195573421 474098810 /nfs/dbraw/zinc/09/88/10/474098810.db2.gz DFKBSBUONRUECC-ZDUSSCGKSA-N -1 3 328.397 2.790 40 0 EFABHM Cc1ccc([C@@H]2CSCCN2C(=O)c2cccc3nn[n-]c32)o1 ZINC000195573421 474098816 /nfs/dbraw/zinc/09/88/16/474098816.db2.gz DFKBSBUONRUECC-ZDUSSCGKSA-N -1 3 328.397 2.790 40 0 EFABHM Cc1ccc([C@@H]2CSCCN2C(=O)c2cccc3n[n-]nc32)o1 ZINC000195573421 474098822 /nfs/dbraw/zinc/09/88/22/474098822.db2.gz DFKBSBUONRUECC-ZDUSSCGKSA-N -1 3 328.397 2.790 40 0 EFABHM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000223287439 474182654 /nfs/dbraw/zinc/18/26/54/474182654.db2.gz METNZALTVMGVNH-YRNVUSSQSA-N -1 3 344.436 2.863 40 0 EFABHM Cc1noc(C)c1S(=O)(=O)[N-]CCOc1ccccc1C(C)C ZINC000223833861 474191687 /nfs/dbraw/zinc/19/16/87/474191687.db2.gz HEHZJTNAEKZLLS-UHFFFAOYSA-N -1 3 338.429 2.772 40 0 EFABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(COC)c2)cc1 ZINC000224111319 474195235 /nfs/dbraw/zinc/19/52/35/474195235.db2.gz KXPNIJQFTNYENH-UHFFFAOYSA-N -1 3 348.424 2.847 40 0 EFABHM CC(C)c1nc(N2CCc3nc[n-]c(=O)c3C2)cc(C(C)(C)C)n1 ZINC000225482575 474216840 /nfs/dbraw/zinc/21/68/40/474216840.db2.gz ZXIGPZHMRNGYMA-UHFFFAOYSA-N -1 3 327.432 2.544 40 0 EFABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1cccnc1)N2 ZINC000252426457 474658154 /nfs/dbraw/zinc/65/81/54/474658154.db2.gz CCERWOYYIWFMMU-PUYPPJJSSA-N -1 3 327.306 2.581 40 0 EFABHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccsc1 ZINC000305175625 474709192 /nfs/dbraw/zinc/70/91/92/474709192.db2.gz AHRAZXVSKWVRRQ-ZDUSSCGKSA-N -1 3 349.836 2.727 40 0 EFABHM Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccc4n[n-]nc4c3)C2)cn1 ZINC000257280307 474929629 /nfs/dbraw/zinc/92/96/29/474929629.db2.gz OKISEAPPCURXJA-HNNXBMFYSA-N -1 3 335.411 2.756 40 0 EFABHM O=c1cc(C[C@@H]2COCCN(Cc3ccccc3Cl)C2)nc[n-]1 ZINC000257340397 474963079 /nfs/dbraw/zinc/96/30/79/474963079.db2.gz ZFWFBQTYHJTUJA-ZDUSSCGKSA-N -1 3 333.819 2.527 40 0 EFABHM CO[C@H](C)CS(=O)(=O)[N-]c1cc(Cl)ccc1Br ZINC000296032581 475171366 /nfs/dbraw/zinc/17/13/66/475171366.db2.gz SDXFWRLLORNENF-SSDOTTSWSA-N -1 3 342.642 2.879 40 0 EFABHM CCO[C@H](C)c1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000390833083 476803517 /nfs/dbraw/zinc/80/35/17/476803517.db2.gz BWOMSWGQVCMUDT-SECBINFHSA-N -1 3 344.400 2.673 40 0 EFABHM CCO[C@H](C)c1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000390833083 476803527 /nfs/dbraw/zinc/80/35/27/476803527.db2.gz BWOMSWGQVCMUDT-SECBINFHSA-N -1 3 344.400 2.673 40 0 EFABHM CCn1cnnc1[N-]C(=O)c1c(F)cc(Br)cc1F ZINC000390833662 476805096 /nfs/dbraw/zinc/80/50/96/476805096.db2.gz LATARCXZZAHEQW-UHFFFAOYSA-N -1 3 331.120 2.591 40 0 EFABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccc([O-])cc1)[C@@]2(O)C(F)(F)F ZINC000409178717 476979406 /nfs/dbraw/zinc/97/94/06/476979406.db2.gz NZLZBOUCBAEGKY-BCQZVRRWSA-N -1 3 342.317 2.891 40 0 EFABHM CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(F)cc2)N1 ZINC000409349305 476982657 /nfs/dbraw/zinc/98/26/57/476982657.db2.gz PQADGWBAMNHJBI-AWEZNQCLSA-N -1 3 348.296 2.844 40 0 EFABHM CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1cccc([O-])c1OC(F)(F)F ZINC000585141164 479299432 /nfs/dbraw/zinc/29/94/32/479299432.db2.gz QLTNSIULXIKMBL-DTWKUNHWSA-N -1 3 349.305 2.608 40 0 EFABHM Cc1cccc(CS(=O)(=O)[N-][C@H](C)c2nc(C(F)(F)F)no2)c1 ZINC000585142035 479299943 /nfs/dbraw/zinc/29/99/43/479299943.db2.gz NBSPZFAQIVRXAS-SECBINFHSA-N -1 3 349.334 2.577 40 0 EFABHM Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(N3CCCCCC3)c2)o1 ZINC000678615073 548962136 /nfs/dbraw/zinc/96/21/36/548962136.db2.gz MJASWRMRQMMODF-UHFFFAOYSA-N -1 3 349.456 2.842 40 0 EFABHM CCNC(=O)N1[C@@H]2CC[C@H]1Cc1nc(-c3ccccc3)[n-]c(=O)c1C2 ZINC000675010900 1099630675 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COc1ncccc1-c1cc(=O)[n-]c(N(C)CCc2ccccc2)n1 ZINC000019586242 202013502 /nfs/dbraw/zinc/01/35/02/202013502.db2.gz SOGKYKCXVCYFMO-UHFFFAOYSA-N -1 3 336.395 2.519 40 0 EFABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000019886409 202024941 /nfs/dbraw/zinc/02/49/41/202024941.db2.gz SOTTYPKGKVUCJP-UHFFFAOYSA-N -1 3 334.397 2.709 40 0 EFABHM C[C@@H](c1ccsc1)N1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000184373682 235380351 /nfs/dbraw/zinc/38/03/51/235380351.db2.gz SIFMCJZUHBRHHM-LBPRGKRZSA-N -1 3 332.425 2.678 40 0 EFABHM CCC[C@H](C)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O ZINC000019937692 202027628 /nfs/dbraw/zinc/02/76/28/202027628.db2.gz JJGUEUKQTDMPEW-NSHDSACASA-N -1 3 333.819 2.938 40 0 EFABHM Cc1ccc(C(=O)OCC(=O)[N-]c2cc(C(C)(C)C)no2)c(O)c1 ZINC000020057348 202030820 /nfs/dbraw/zinc/03/08/20/202030820.db2.gz AGNHBFDSRNUNJZ-UHFFFAOYSA-N -1 3 332.356 2.782 40 0 EFABHM CN(C(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1)C1CCCC1 ZINC000020461042 202043955 /nfs/dbraw/zinc/04/39/55/202043955.db2.gz 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471572340 /nfs/dbraw/zinc/57/23/40/471572340.db2.gz QMHCYGFBVNMIMC-UHFFFAOYSA-N -1 3 341.352 2.707 40 0 EFABHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000007050258 471587766 /nfs/dbraw/zinc/58/77/66/471587766.db2.gz TZNHWGKPEDSGGR-LLVKDONJSA-N -1 3 346.412 2.517 40 0 EFABHM CCC(CC)[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000007375935 471609487 /nfs/dbraw/zinc/60/94/87/471609487.db2.gz BOCWZWKDOVUSAK-UHFFFAOYSA-N -1 3 336.251 2.925 40 0 EFABHM C[C@H](OC(=O)c1ccc(Cl)cc1[O-])C(=O)NCc1cccs1 ZINC000007774707 471636288 /nfs/dbraw/zinc/63/62/88/471636288.db2.gz QHNDGLXGPWOMRI-VIFPVBQESA-N -1 3 339.800 2.969 40 0 EFABHM Cc1nc(-c2ccccc2)[n-]c(=O)c1Cc1cc2c(cc1O)OCC2 ZINC000008649724 471697135 /nfs/dbraw/zinc/69/71/35/471697135.db2.gz NQQXPLWAMFAWKH-UHFFFAOYSA-N -1 3 334.375 2.977 40 0 EFABHM Cc1cc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)c(C)n1C ZINC000012122717 471765436 /nfs/dbraw/zinc/76/54/36/471765436.db2.gz WAHHXKPALOPPPJ-UHFFFAOYSA-N -1 3 349.438 2.758 40 0 EFABHM C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)C1 ZINC000012183101 471768108 /nfs/dbraw/zinc/76/81/08/471768108.db2.gz QHZFOGDNLITSDF-HNNXBMFYSA-N -1 3 338.455 2.565 40 0 EFABHM NC(=O)N[C@H](CC(=O)Nc1ccccc1[O-])c1ccccc1Cl ZINC000013019115 471813859 /nfs/dbraw/zinc/81/38/59/471813859.db2.gz XJEZCYKHOFJJPR-CYBMUJFWSA-N -1 3 333.775 2.784 40 0 EFABHM COc1ccc(NC(=O)[C@H]2CC(c3ccccc3[O-])=NO2)cc1OC ZINC000013123281 471817746 /nfs/dbraw/zinc/81/77/46/471817746.db2.gz PLDXORSZPDEGOL-QGZVFWFLSA-N -1 3 342.351 2.541 40 0 EFABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(OC)c1 ZINC000014254698 471866479 /nfs/dbraw/zinc/86/64/79/471866479.db2.gz NMARYSPEUBOZLH-UHFFFAOYSA-N -1 3 329.324 2.783 40 0 EFABHM C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2[O-])o1 ZINC000015885042 471921312 /nfs/dbraw/zinc/92/13/12/471921312.db2.gz RTLQWJIUROGJRD-LLVKDONJSA-N -1 3 333.413 2.935 40 0 EFABHM CCOC(=O)Cc1n[n-]c(CNc2ccc(C(F)(F)F)cc2)n1 ZINC000040175862 472030228 /nfs/dbraw/zinc/03/02/28/472030228.db2.gz 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EFABHM O=c1cc(CO)oc([C@H](Nc2ccc(F)cc2)c2ccccn2)c1[O-] ZINC000001236061 471383807 /nfs/dbraw/zinc/38/38/07/471383807.db2.gz UNWCTLQIAJBKSC-MRXNPFEDSA-N -1 3 342.326 2.573 40 0 EFABHM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3F)ccc2N1 ZINC000006788819 471569801 /nfs/dbraw/zinc/56/98/01/471569801.db2.gz VEIZKWWFJSNZDA-UHFFFAOYSA-N -1 3 340.763 2.775 40 0 EFABHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)ccc2N1 ZINC000006788809 471570035 /nfs/dbraw/zinc/57/00/35/471570035.db2.gz XUEWTLKNBZFMPA-UHFFFAOYSA-N -1 3 340.763 2.775 40 0 EFABHM CN(CCC[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000007059270 471589099 /nfs/dbraw/zinc/58/90/99/471589099.db2.gz ACAPJYZKPWYCKV-UHFFFAOYSA-N -1 3 340.395 2.770 40 0 EFABHM C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000012239540 471769464 /nfs/dbraw/zinc/76/94/64/471769464.db2.gz HBXREWQUYZYVGP-YUELXQCFSA-N -1 3 338.411 2.606 40 0 EFABHM CCCn1c(=O)[n-]nc1S[C@@H](CC)C(=O)NCc1ccccc1 ZINC000012929665 471806256 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COC(=O)c1ccc(CS(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1 ZINC000044840551 472342456 /nfs/dbraw/zinc/34/24/56/472342456.db2.gz AMDDPCSUWKFNIK-UHFFFAOYSA-N -1 3 347.392 2.618 40 0 EFABHM Cc1nc(C)c(CCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)c(=O)[n-]1 ZINC000044890168 472347841 /nfs/dbraw/zinc/34/78/41/472347841.db2.gz FIQXBWVTZDQUOK-GOSISDBHSA-N -1 3 345.418 2.972 40 0 EFABHM C[C@](N)(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000045331620 472392434 /nfs/dbraw/zinc/39/24/34/472392434.db2.gz HHKUVJAKUATCOG-IBGZPJMESA-N -1 3 325.364 2.534 40 0 EFABHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(F)cc(N2CCCC2)c1 ZINC000076937021 472426672 /nfs/dbraw/zinc/42/66/72/472426672.db2.gz RTMPWWDCOIEIQM-INIZCTEOSA-N -1 3 342.436 2.737 40 0 EFABHM Cc1cnc(-c2cccc([N-]S(=O)(=O)C[C@H]3CCCCO3)c2)o1 ZINC000076937480 472426744 /nfs/dbraw/zinc/42/67/44/472426744.db2.gz PFONLOMNZJPSCG-OAHLLOKOSA-N -1 3 336.413 2.961 40 0 EFABHM Cc1ccc2cnn(CCC[N-]S(=O)(=O)c3cccs3)c2c1 ZINC000071196049 472545392 /nfs/dbraw/zinc/54/53/92/472545392.db2.gz LEJKHDDNZVJAFI-UHFFFAOYSA-N -1 3 335.454 2.775 40 0 EFABHM CCOc1cc(/C=C2/N=C(C)OC2=O)cc(Br)c1[O-] ZINC000059484415 472626846 /nfs/dbraw/zinc/62/68/46/472626846.db2.gz HDLQNNRHHAXSBA-BJMVGYQFSA-N -1 3 326.146 2.870 40 0 EFABHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc3ccccn3c2)c1 ZINC000074001546 472921008 /nfs/dbraw/zinc/92/10/08/472921008.db2.gz HVZKIMMUMCHMLQ-UHFFFAOYSA-N -1 3 343.408 2.872 40 0 EFABHM CCC(=O)N1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])C1 ZINC000081458674 473202913 /nfs/dbraw/zinc/20/29/13/473202913.db2.gz CBCXOFOLXIEPGR-SNVBAGLBSA-N -1 3 344.333 2.998 40 0 EFABHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(F)cc2F)c1 ZINC000096426592 473406108 /nfs/dbraw/zinc/40/61/08/473406108.db2.gz HPOVOMHTHGGGMZ-UHFFFAOYSA-N -1 3 340.351 2.897 40 0 EFABHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2c(C)nc(C)[n-]c2=O)o1 ZINC000096433197 473412063 /nfs/dbraw/zinc/41/20/63/473412063.db2.gz SJQDDYLXYKVAJJ-BDJLRTHQSA-N -1 3 343.427 2.830 40 0 EFABHM Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000096472516 473437018 /nfs/dbraw/zinc/43/70/18/473437018.db2.gz ICWSWPIQXJGBKY-UHFFFAOYSA-N -1 3 332.784 2.871 40 0 EFABHM Cc1ccc(OC2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)CC2)nc1 ZINC000192720852 473711995 /nfs/dbraw/zinc/71/19/95/473711995.db2.gz BAMCSBABXJYIIB-CQSZACIVSA-N -1 3 328.416 2.798 40 0 EFABHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@H](c3ccc(F)cc3F)C2)n1 ZINC000192797709 473727586 /nfs/dbraw/zinc/72/75/86/473727586.db2.gz KFRCWNTWWAKKOK-ABAIWWIYSA-N -1 3 335.354 2.903 40 0 EFABHM Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(CN(C)C)c2)s1 ZINC000195571791 474099194 /nfs/dbraw/zinc/09/91/94/474099194.db2.gz IIBMDZLSBUIGTI-UHFFFAOYSA-N -1 3 325.459 2.622 40 0 EFABHM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000223287121 474182961 /nfs/dbraw/zinc/18/29/61/474182961.db2.gz HIIPKBKRTATSPR-YRNVUSSQSA-N -1 3 344.436 2.863 40 0 EFABHM C[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccccc1[O-])N2 ZINC000245231660 474572751 /nfs/dbraw/zinc/57/27/51/474572751.db2.gz HLTAWBKXUJYYNA-BPYAMOTFSA-N -1 3 342.317 2.891 40 0 EFABHM Cc1cccc([C@@H](C(=O)[O-])N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000390822565 476799742 /nfs/dbraw/zinc/79/97/42/476799742.db2.gz CVNMKMATQDFEGJ-GJZGRUSLSA-N -1 3 334.416 2.720 40 0 EFABHM O=C([N-]N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccc(Cl)c(Cl)c1 ZINC000408643168 476970094 /nfs/dbraw/zinc/97/00/94/476970094.db2.gz FRUOQVDBAJMQSM-AOOOYVTPSA-N -1 3 339.178 2.589 40 0 EFABHM C[C@@H]1CCCC2=C1NN(C(=O)c1cccnc1)[C@@]2([O-])C(F)(F)F ZINC000409181080 476979813 /nfs/dbraw/zinc/97/98/13/476979813.db2.gz VQDCDJSUZGUTLX-UDZFHETQSA-N -1 3 327.306 2.581 40 0 EFABHM COC[C@@H]([N-]S(=O)(=O)c1sccc1C)c1cccc(OC)c1 ZINC000585091919 479279099 /nfs/dbraw/zinc/27/90/99/479279099.db2.gz HWCQLGJWSXXVAE-CQSZACIVSA-N -1 3 341.454 2.731 40 0 EFABHM O=C([O-])c1ccc(CN2CC[C@@](O)(COc3ccc(F)cc3)C2)cc1 ZINC000585276137 479305655 /nfs/dbraw/zinc/30/56/55/479305655.db2.gz KERDPEHZHAUING-IBGZPJMESA-N -1 3 345.370 2.540 40 0 EFABHM Cc1ccccc1OC[C@]1(O)CCN(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000585277343 479306031 /nfs/dbraw/zinc/30/60/31/479306031.db2.gz SMKKLAJDWXTLHM-FQEVSTJZSA-N -1 3 341.407 2.709 40 0 EFABHM O=C([O-])c1ccccc1CN1CC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585276469 479306238 /nfs/dbraw/zinc/30/62/38/479306238.db2.gz LSMKSYWZSWEBNM-LJQANCHMSA-N -1 3 345.370 2.540 40 0 EFABHM Cc1ccccc1OC[C@@]1(O)CCN(Cc2ccccc2C(=O)[O-])C1 ZINC000585277971 479307404 /nfs/dbraw/zinc/30/74/04/479307404.db2.gz YXASAARKJUULNY-HXUWFJFHSA-N -1 3 341.407 2.709 40 0 EFABHM CC(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1[O-] ZINC000646602991 481398623 /nfs/dbraw/zinc/39/86/23/481398623.db2.gz OYCBYROXOGHRTJ-SFHVURJKSA-N -1 3 338.407 2.724 40 0 EFABHM CCOC(=O)CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000072806514 520811534 /nfs/dbraw/zinc/81/15/34/520811534.db2.gz MJJXJECVEVKFEP-UHFFFAOYSA-N -1 3 327.793 2.692 40 0 EFABHM CC[C@H](c1ccc(F)cc1F)N1CCN(CCCC(=O)[O-])CC1 ZINC000173856937 529179790 /nfs/dbraw/zinc/17/97/90/529179790.db2.gz SKACGPPJLDQESL-MRXNPFEDSA-N -1 3 326.387 2.898 40 0 EFABHM Cc1ccc(C(=O)NCCc2cc(F)cc3c2OCOC3)c([O-])c1C ZINC000052902212 214153217 /nfs/dbraw/zinc/15/32/17/214153217.db2.gz KWVFMHWPIDREIT-UHFFFAOYSA-N -1 3 345.370 2.987 40 0 EFABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1C ZINC000055546038 214328194 /nfs/dbraw/zinc/32/81/94/214328194.db2.gz AWHQQJOIOJYVIO-UHFFFAOYSA-N -1 3 349.408 2.884 40 0 EFABHM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)NC1CC1 ZINC000040476242 213312580 /nfs/dbraw/zinc/31/25/80/213312580.db2.gz JYUIZFPGTMOZKC-UHFFFAOYSA-N -1 3 349.387 2.910 40 0 EFABHM CC[C@@H](C)NC(=O)COC(=O)c1cc(C)cc(Br)c1[O-] ZINC000040151890 213273409 /nfs/dbraw/zinc/27/34/09/213273409.db2.gz KEFISPIBKLFGPA-SECBINFHSA-N -1 3 344.205 2.535 40 0 EFABHM C[C@H](c1ccsc1)N1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000184373701 235380457 /nfs/dbraw/zinc/38/04/57/235380457.db2.gz SIFMCJZUHBRHHM-GFCCVEGCSA-N -1 3 332.425 2.678 40 0 EFABHM O=C([O-])COc1ccc(CN2CCC3(CC2)CC=CCOC3)cc1 ZINC000257312242 304070328 /nfs/dbraw/zinc/07/03/28/304070328.db2.gz 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COc1cccc(C(=O)N2NC(C(C)C)=C[C@@]2([O-])C(F)(F)F)c1 ZINC000000248875 471340441 /nfs/dbraw/zinc/34/04/41/471340441.db2.gz ZMSHERGDKZQTAK-CQSZACIVSA-N -1 3 330.306 2.804 40 0 EFABHM CCC1=NN(C(=O)c2ccc([O-])cc2)[C@](O)(c2ccc(OC)cc2)C1 ZINC000000295868 471343624 /nfs/dbraw/zinc/34/36/24/471343624.db2.gz LIABDNDSRUZHFT-LJQANCHMSA-N -1 3 340.379 2.858 40 0 EFABHM O=c1cc(CO)oc([C@H](Nc2ccccc2F)c2ccccn2)c1[O-] ZINC000001236075 471383233 /nfs/dbraw/zinc/38/32/33/471383233.db2.gz ZUWRLQJWMRVKOS-MRXNPFEDSA-N -1 3 342.326 2.573 40 0 EFABHM O=C(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)N1CCCC1 ZINC000002643567 471415088 /nfs/dbraw/zinc/41/50/88/471415088.db2.gz FLZSTWPYIQLZIV-UHFFFAOYSA-N -1 3 339.420 2.817 40 0 EFABHM Cc1c(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cnn1C ZINC000002767873 471419888 /nfs/dbraw/zinc/41/98/88/471419888.db2.gz BGSKZWAKHZXFLZ-UHFFFAOYSA-N -1 3 334.228 2.514 40 0 EFABHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)ccc2N1 ZINC000002928146 471429025 /nfs/dbraw/zinc/42/90/25/471429025.db2.gz 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/nfs/dbraw/zinc/72/53/56/471725356.db2.gz STKLUDZPDPKCBD-UHFFFAOYSA-N -1 3 348.424 2.554 40 0 EFABHM C[C@H](CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccccc1 ZINC000010389625 471734510 /nfs/dbraw/zinc/73/45/10/471734510.db2.gz JBDZKNNBWSEHBZ-CYBMUJFWSA-N -1 3 332.425 2.592 40 0 EFABHM NC(=O)[C@H](Sc1n[n-]c(-c2cccs2)n1)c1ccc(F)cc1 ZINC000011672181 471757032 /nfs/dbraw/zinc/75/70/32/471757032.db2.gz ORWSDLFYSPSCQX-LLVKDONJSA-N -1 3 334.401 2.991 40 0 EFABHM O=c1[n-]c(-c2cccnc2)nc2c1CCN(Cc1ccc(F)cc1)C2 ZINC000012666125 471788968 /nfs/dbraw/zinc/78/89/68/471788968.db2.gz JPOIHNBFIYOEPX-UHFFFAOYSA-N -1 3 336.370 2.529 40 0 EFABHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1NC(C)=O ZINC000013061572 471815125 /nfs/dbraw/zinc/81/51/25/471815125.db2.gz AXZQBGOSXYKPOC-UHFFFAOYSA-N -1 3 334.397 2.763 40 0 EFABHM O=c1cc(CO)oc([C@@H](Nc2ccccn2)c2ccc(F)cc2)c1[O-] ZINC000013140529 471817818 /nfs/dbraw/zinc/81/78/18/471817818.db2.gz JCPHBSBXPBYVQO-INIZCTEOSA-N -1 3 342.326 2.573 40 0 EFABHM Cc1noc(C)c1S(=O)(=O)[N-]CCSc1ccc(C)cc1 ZINC000017331794 471961232 /nfs/dbraw/zinc/96/12/32/471961232.db2.gz SFLOVODVMFRIIR-UHFFFAOYSA-N -1 3 326.443 2.670 40 0 EFABHM COc1ccc(-c2nnc(COC(=O)c3ccc([O-])cc3)o2)cc1 ZINC000018321435 471974750 /nfs/dbraw/zinc/97/47/50/471974750.db2.gz WAPASOTWTSGQAM-UHFFFAOYSA-N -1 3 326.308 2.808 40 0 EFABHM CC(C)(C)C(=O)N1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[n-]1 ZINC000019081340 471976536 /nfs/dbraw/zinc/97/65/36/471976536.db2.gz HRYKEMCMUKZSMD-AWEZNQCLSA-N -1 3 326.400 2.954 40 0 EFABHM CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[n-]1 ZINC000019081338 471976949 /nfs/dbraw/zinc/97/69/49/471976949.db2.gz HRYKEMCMUKZSMD-CQSZACIVSA-N -1 3 326.400 2.954 40 0 EFABHM COc1ccc(CCC(=O)N2CCC[C@@H]2c2nc(C)cc(=O)[n-]2)cc1 ZINC000019118086 471977507 /nfs/dbraw/zinc/97/75/07/471977507.db2.gz BQDLMMDHPCZZQF-MRXNPFEDSA-N -1 3 341.411 2.796 40 0 EFABHM O=c1cc(-c2ccncc2)nc([C@@H]2CCCN(Cc3ccccn3)C2)[n-]1 ZINC000019401707 471980492 /nfs/dbraw/zinc/98/04/92/471980492.db2.gz LDJWXELWRJIEJK-MRXNPFEDSA-N -1 3 347.422 2.607 40 0 EFABHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000025652426 472106025 /nfs/dbraw/zinc/10/60/25/472106025.db2.gz SQJNYMWPDDHADK-UHFFFAOYSA-N -1 3 334.319 2.789 40 0 EFABHM COc1cc(-c2nc3c(n2[O-])C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000055175257 472147975 /nfs/dbraw/zinc/14/79/75/472147975.db2.gz JZWFFWPWYDAKAR-UHFFFAOYSA-N -1 3 346.383 2.968 40 0 biogenic,in-vitro EFABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000055547116 472201786 /nfs/dbraw/zinc/20/17/86/472201786.db2.gz LCJREXPXVAZANL-UHFFFAOYSA-N -1 3 349.408 2.656 40 0 EFABHM O=c1cc(CN2CC[C@@H](CSc3ccccc3)C2)nc2cc[n-]n21 ZINC000102706308 472589520 /nfs/dbraw/zinc/58/95/20/472589520.db2.gz SKLIPEHMWKJQBZ-CQSZACIVSA-N -1 3 340.452 2.637 40 0 EFABHM C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1 ZINC000072397173 472663649 /nfs/dbraw/zinc/66/36/49/472663649.db2.gz GLBAMBLOZWVUSR-FRRDWIJNSA-N -1 3 343.452 2.860 40 0 EFABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccccc3)c2)n1 ZINC000047318228 472688911 /nfs/dbraw/zinc/68/89/11/472688911.db2.gz ZEEDRKYYQUERDW-UHFFFAOYSA-N -1 3 335.363 2.763 40 0 EFABHM CC(C)N(C(=O)OCc1ccccc1)C1CCN(CC(=O)[O-])CC1 ZINC000079413885 472860965 /nfs/dbraw/zinc/86/09/65/472860965.db2.gz HWUUIDSGDIAZAE-UHFFFAOYSA-N -1 3 334.416 2.583 40 0 EFABHM Cn1c(=O)sc2cc(S(=O)(=O)[N-]c3ccccc3F)ccc21 ZINC000064946755 472887394 /nfs/dbraw/zinc/88/73/94/472887394.db2.gz LHJMMRUWJRHYFG-UHFFFAOYSA-N -1 3 338.385 2.540 40 0 EFABHM CCC(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])C1 ZINC000081458673 473202613 /nfs/dbraw/zinc/20/26/13/473202613.db2.gz CBCXOFOLXIEPGR-JTQLQIEISA-N -1 3 344.333 2.998 40 0 EFABHM C[C@](O)(C[N-]S(=O)(=O)Cc1ccccc1Cl)c1ccsc1 ZINC000096461084 473433382 /nfs/dbraw/zinc/43/33/82/473433382.db2.gz BUJJSJSEASBGSN-AWEZNQCLSA-N -1 3 345.873 2.729 40 0 EFABHM CC[C@@H]([N-]S(=O)(=O)c1sccc1OC)c1ncc(C)s1 ZINC000096472680 473437126 /nfs/dbraw/zinc/43/71/26/473437126.db2.gz KLIDZOQDKXQVEM-SECBINFHSA-N -1 3 332.472 2.951 40 0 EFABHM O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc(F)ccc1[O-] ZINC000096492480 473447198 /nfs/dbraw/zinc/44/71/98/473447198.db2.gz YZWDXZORWPXPLI-UHFFFAOYSA-N -1 3 344.386 2.740 40 0 EFABHM O=C(c1ccc2n[n-]nc2c1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000192927472 473748446 /nfs/dbraw/zinc/74/84/46/473748446.db2.gz VNAAXBPFEAMJAE-CYBMUJFWSA-N -1 3 342.424 2.841 40 0 EFABHM O=c1[n-]c(=O)n(Cc2csc(-c3ccc(F)cc3)n2)cc1Cl ZINC000174125351 473991620 /nfs/dbraw/zinc/99/16/20/473991620.db2.gz QQVHPMJHWMMGBO-UHFFFAOYSA-N -1 3 337.763 2.501 40 0 EFABHM CCN(CC)C(=O)[C@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000195556700 474094677 /nfs/dbraw/zinc/09/46/77/474094677.db2.gz BEEQNUIYKASEGK-QGZVFWFLSA-N -1 3 326.396 2.732 40 0 EFABHM CC(C)c1cc(C[N-]S(=O)(=O)C2=Cc3ccccc3OC2)on1 ZINC000195578790 474100211 /nfs/dbraw/zinc/10/02/11/474100211.db2.gz LAGPUQBZNMLGRU-UHFFFAOYSA-N -1 3 334.397 2.651 40 0 EFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1 ZINC000223796834 474190261 /nfs/dbraw/zinc/19/02/61/474190261.db2.gz JBDBOYPJONIALI-UHFFFAOYSA-N -1 3 349.408 2.981 40 0 EFABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCC2=CCCCC2)cc1Cl ZINC000224411627 474198498 /nfs/dbraw/zinc/19/84/98/474198498.db2.gz JTUKLKWLHXQGFN-UHFFFAOYSA-N -1 3 342.848 2.942 40 0 EFABHM O=C(NC1CCN(Cc2ccsc2)CC1)c1c([O-])cccc1F ZINC000225395372 474209204 /nfs/dbraw/zinc/20/92/04/474209204.db2.gz GOSFHACLTHVSQX-UHFFFAOYSA-N -1 3 334.416 2.987 40 0 EFABHM O=C(Nc1ncn(C2CCCCC2)n1)c1c[n-]c2ccccc2c1=O ZINC000182886448 474278463 /nfs/dbraw/zinc/27/84/63/474278463.db2.gz FBVVPCSWXYVOTP-UHFFFAOYSA-N -1 3 337.383 2.877 40 0 EFABHM O=C(Nc1ncn(C2CCCCC2)n1)c1cnc2ccccc2c1[O-] ZINC000182886448 474278471 /nfs/dbraw/zinc/27/84/71/474278471.db2.gz FBVVPCSWXYVOTP-UHFFFAOYSA-N -1 3 337.383 2.877 40 0 EFABHM CCC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCC1 ZINC000176331961 474443656 /nfs/dbraw/zinc/44/36/56/474443656.db2.gz APCBCKHCLVUXJF-HNNXBMFYSA-N -1 3 330.428 2.693 40 0 EFABHM [O-]c1ccc(Br)c(CN2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000252487611 474672777 /nfs/dbraw/zinc/67/27/77/474672777.db2.gz ZMPIIVDGFFOPRR-HUUCEWRRSA-N -1 3 342.233 2.535 40 0 EFABHM C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)N3CC(O)C3)ccc1OC2(C)C ZINC000257258561 474927720 /nfs/dbraw/zinc/92/77/20/474927720.db2.gz KUOODTWHQZDZPX-KCPJHIHWSA-N -1 3 345.439 2.900 40 0 EFABHM Cc1c[nH]nc1[C@@H]1CCCN(Cc2ccccc2OCC(=O)[O-])C1 ZINC000257282517 474929918 /nfs/dbraw/zinc/92/99/18/474929918.db2.gz OUADAPBFRKCDOJ-OAHLLOKOSA-N -1 3 329.400 2.561 40 0 EFABHM Cc1cccc(CN2CCC[C@H](c3[n-]ncc3S(C)(=O)=O)C2)c1 ZINC000257283632 474932561 /nfs/dbraw/zinc/93/25/61/474932561.db2.gz OZCYIBLOGMPRRY-HNNXBMFYSA-N -1 3 333.457 2.501 40 0 EFABHM Cc1cccc(CN2CCC[C@H](c3n[n-]cc3S(C)(=O)=O)C2)c1 ZINC000257283632 474932568 /nfs/dbraw/zinc/93/25/68/474932568.db2.gz OZCYIBLOGMPRRY-HNNXBMFYSA-N -1 3 333.457 2.501 40 0 EFABHM C[C@]1(C(N)=O)CCCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257308215 474945822 /nfs/dbraw/zinc/94/58/22/474945822.db2.gz TVWDOROGVQMTMX-IBGZPJMESA-N -1 3 342.395 2.732 40 0 EFABHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(Cc3ccccc3)C2)o1 ZINC000331810987 475422871 /nfs/dbraw/zinc/42/28/71/475422871.db2.gz SQGUUIQTRPQABO-INIZCTEOSA-N -1 3 334.441 2.531 40 0 EFABHM COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3ccccc3[O-])C2)c1 ZINC000390833235 476802698 /nfs/dbraw/zinc/80/26/98/476802698.db2.gz DXFDUDIPDNZHOA-QGZVFWFLSA-N -1 3 342.351 2.541 40 0 EFABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(C)c2)cc1 ZINC000408617522 476969107 /nfs/dbraw/zinc/96/91/07/476969107.db2.gz DBHCVAQWQGUWJQ-UHFFFAOYSA-N -1 3 334.397 2.763 40 0 EFABHM C[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccc([O-])cc1)N2 ZINC000409057414 476977349 /nfs/dbraw/zinc/97/73/49/476977349.db2.gz POLRIRPMDGWKEV-MURWCNHISA-N -1 3 342.317 2.891 40 0 EFABHM CN(C)c1nc2sc(C(=O)[N-]c3nnc(C4CC4)n3C)cc2s1 ZINC000585113303 479289572 /nfs/dbraw/zinc/28/95/72/479289572.db2.gz BMOCHGNRPRNLHT-UHFFFAOYSA-N -1 3 348.457 2.682 40 0 EFABHM Cc1ccccc1OC[C@]1(O)CCN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000585277904 479307555 /nfs/dbraw/zinc/30/75/55/479307555.db2.gz XMXOHWVFKVBQFA-FQEVSTJZSA-N -1 3 341.407 2.709 40 0 EFABHM Cc1ncsc1CN(C)C[C@@H]1CCN(c2ccnc(C(=O)[O-])c2)C1 ZINC000650767605 481328537 /nfs/dbraw/zinc/32/85/37/481328537.db2.gz AMMMBYYVQQFLTE-ZDUSSCGKSA-N -1 3 346.456 2.503 40 0 EFABHM Cc1nc2ccccc2n1CCCNc1nc2c(c(=O)[n-]1)CCCC2 ZINC000096637518 1108436726 /nfs/dbraw/zinc/43/67/26/1108436726.db2.gz QPJBXRIOHMMVGR-UHFFFAOYSA-N -1 3 337.427 2.809 40 0 EFABHM CCc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c([O-])c1 ZINC000188513155 529599943 /nfs/dbraw/zinc/59/99/43/529599943.db2.gz BWOFJESENFQYAR-WMLDXEAASA-N -1 3 342.439 2.570 40 0 EFABHM Cc1nc(C)c(CCC(=O)N2CCc3sccc3[C@@H]2C)c(=O)[n-]1 ZINC000040475727 213312228 /nfs/dbraw/zinc/31/22/28/213312228.db2.gz BCPGNXTULHPIIW-NSHDSACASA-N -1 3 331.441 2.527 40 0 EFABHM O=C(NCC1CCN(c2ccncc2)CC1)c1cc(F)c([O-])c(F)c1 ZINC000186985078 236087891 /nfs/dbraw/zinc/08/78/91/236087891.db2.gz XELAAUSOSRIAHG-UHFFFAOYSA-N -1 3 347.365 2.712 40 0 EFABHM CCn1cc(NCc2cc(Br)c([O-])c(OC)c2)cn1 ZINC000035781012 213048910 /nfs/dbraw/zinc/04/89/10/213048910.db2.gz GJCIATLMIJZZIA-UHFFFAOYSA-N -1 3 326.194 2.992 40 0 EFABHM Cc1c2cc(F)ccc2[nH]c1CN1CCc2c(=O)[n-]c(C)nc2C1 ZINC000072347449 216160879 /nfs/dbraw/zinc/16/08/79/216160879.db2.gz UXVMXMNFTQVRSV-UHFFFAOYSA-N -1 3 326.375 2.978 40 0 EFABHM O=C(c1cncc([O-])c1)N1CCC(c2n[nH]cc2-c2ccncc2)CC1 ZINC000072389430 216189000 /nfs/dbraw/zinc/18/90/00/216189000.db2.gz IGFFESZGIOJXOH-UHFFFAOYSA-N -1 3 349.394 2.592 40 0 EFABHM O=C(c1cncc([O-])c1)N1CCC(c2[nH]ncc2-c2ccncc2)CC1 ZINC000072389430 216189004 /nfs/dbraw/zinc/18/90/04/216189004.db2.gz IGFFESZGIOJXOH-UHFFFAOYSA-N -1 3 349.394 2.592 40 0 EFABHM O=c1cc([C@@H]2CCCN(Cc3ccccn3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392935 216190948 /nfs/dbraw/zinc/19/09/48/216190948.db2.gz MNUZZJFPOVMYNQ-MRXNPFEDSA-N -1 3 347.422 2.607 40 0 EFABHM O=c1cc([C@H]2CCCN(Cc3ccncc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392918 216191679 /nfs/dbraw/zinc/19/16/79/216191679.db2.gz NPXUZFUBBKBAIC-KRWDZBQOSA-N -1 3 347.422 2.607 40 0 EFABHM O=c1c([O-])coc(CO)c1[C@H](Nc1ccccn1)c1ccc(F)cc1 ZINC000020528636 212143327 /nfs/dbraw/zinc/14/33/27/212143327.db2.gz WASFSLYAOXTSBD-QGZVFWFLSA-N -1 3 342.326 2.573 40 0 EFABHM CCCc1nnc([N-]C(=O)c2ncccc2Br)s1 ZINC000252495654 243810357 /nfs/dbraw/zinc/81/03/57/243810357.db2.gz OVBPCTBRMTXDCL-UHFFFAOYSA-N -1 3 327.207 2.900 40 0 EFABHM C[C@]1(O)CN(Cc2ccc(C(=O)[O-])cc2)CC[C@@H]1Oc1ccccc1 ZINC000257207584 244141017 /nfs/dbraw/zinc/14/10/17/244141017.db2.gz BIJNZAZMEKJRHE-ICSRJNTNSA-N -1 3 341.407 2.789 40 0 EFABHM C[C@H]1CCCN(C(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)C1 ZINC000020041139 212097141 /nfs/dbraw/zinc/09/71/41/212097141.db2.gz GKMAYHOKZMUUDA-JTQLQIEISA-N -1 3 330.837 2.584 40 0 EFABHM CNc1cc([C@@H]2CCCN2Cc2ccc(OCC(=O)[O-])cc2)ccn1 ZINC000257276287 244393403 /nfs/dbraw/zinc/39/34/03/244393403.db2.gz NTCMAXQLCBTYRX-KRWDZBQOSA-N -1 3 341.411 2.924 40 0 EFABHM C[C@@H](NC(=O)C1CCCCC1)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019458431 212029476 /nfs/dbraw/zinc/02/94/76/212029476.db2.gz ARQMWVNQGNBOPU-GFCCVEGCSA-N -1 3 326.400 2.589 40 0 EFABHM CC(C)Oc1ccc(-c2csc(NC(=O)c3nc[n-]n3)n2)cc1 ZINC000019450742 212028855 /nfs/dbraw/zinc/02/88/55/212028855.db2.gz YFQIYCCQKKBIFW-UHFFFAOYSA-N -1 3 329.385 2.968 40 0 EFABHM CC(C)Cc1cc(C(=O)N[C@@H](C)CCc2ccc(F)cc2)[n-]c(=O)n1 ZINC000019447473 212028600 /nfs/dbraw/zinc/02/86/00/212028600.db2.gz YYTCHZBJGOUAQT-ZDUSSCGKSA-N -1 3 345.418 2.859 40 0 EFABHM Cc1cc(=O)[n-]c(-c2ccc(N(C)CCN(C)c3ccccc3)nc2)n1 ZINC000077965476 217006524 /nfs/dbraw/zinc/00/65/24/217006524.db2.gz VKCRAKWHVZVZAG-UHFFFAOYSA-N -1 3 349.438 2.713 40 0 EFABHM O=c1cc(-c2cccnc2)nc([C@@H]2CCCN(Cc3ccncc3)C2)[n-]1 ZINC000019340261 212017863 /nfs/dbraw/zinc/01/78/63/212017863.db2.gz PVYXRRYJPXUYOO-QGZVFWFLSA-N -1 3 347.422 2.607 40 0 EFABHM O=c1cc(-c2cccnc2)nc(C2CCN(Cc3cccnc3)CC2)[n-]1 ZINC000019338980 212017664 /nfs/dbraw/zinc/01/76/64/212017664.db2.gz OMMRTVBQQGYJOB-UHFFFAOYSA-N -1 3 347.422 2.607 40 0 EFABHM O=C(CCCc1ccccc1)[N-]OCC(=O)Nc1cc(F)ccc1F ZINC000079002825 217172623 /nfs/dbraw/zinc/17/26/23/217172623.db2.gz VZNWUYMQOVXLPJ-UHFFFAOYSA-N -1 3 348.349 2.974 40 0 EFABHM CCOc1ccc2[n-]cc(C(=O)NCc3ccc(F)cc3)c(=O)c2c1 ZINC000012481122 211392592 /nfs/dbraw/zinc/39/25/92/211392592.db2.gz QNZSMIFAWADZKG-UHFFFAOYSA-N -1 3 340.354 2.996 40 0 EFABHM O=C([O-])[C@@H]1CCCN(Cc2c(-c3cccs3)nc3ncccn32)C1 ZINC000012357013 211355704 /nfs/dbraw/zinc/35/57/04/211355704.db2.gz FSCRVLMRQDOLSM-GFCCVEGCSA-N -1 3 342.424 2.754 40 0 EFABHM C[C@H]1C[C@@H]1C(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000012239469 211328673 /nfs/dbraw/zinc/32/86/73/211328673.db2.gz JIPBTPSVCFUKDV-JSGCOSHPSA-N -1 3 338.411 2.606 40 0 EFABHM CC(C)C(=O)N1CCC[C@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000012220023 211322764 /nfs/dbraw/zinc/32/27/64/211322764.db2.gz RVPKVNICZCWKRJ-AWEZNQCLSA-N -1 3 326.400 2.606 40 0 EFABHM NC(=O)[C@@H](Sc1n[n-]c(-c2cccs2)n1)c1ccc(F)cc1 ZINC000011672176 211234307 /nfs/dbraw/zinc/23/43/07/211234307.db2.gz ORWSDLFYSPSCQX-NSHDSACASA-N -1 3 334.401 2.991 40 0 EFABHM Cc1nc(COc2ccc(C(=O)Nc3ccccc3[O-])cc2)no1 ZINC000011679535 211233155 /nfs/dbraw/zinc/23/31/55/211233155.db2.gz BBEOTZMJYUQNLW-UHFFFAOYSA-N -1 3 325.324 2.915 40 0 EFABHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000011657616 211229252 /nfs/dbraw/zinc/22/92/52/211229252.db2.gz HYKLFKXIQDFOHB-LLVKDONJSA-N -1 3 336.388 2.688 40 0 EFABHM COc1ccccc1[C@@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000011598127 211224948 /nfs/dbraw/zinc/22/49/48/211224948.db2.gz FCUNCBHUUCNCKZ-GFCCVEGCSA-N -1 3 348.424 2.558 40 0 EFABHM COC(OC)c1nc(N)[n-]c(=O)c1Cc1ccc(C)c2ccccc12 ZINC000009704038 211118263 /nfs/dbraw/zinc/11/82/63/211118263.db2.gz SOVQSQMAYBGWGN-UHFFFAOYSA-N -1 3 339.395 2.696 40 0 EFABHM COc1ccsc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(F)c1F ZINC000095415329 218353053 /nfs/dbraw/zinc/35/30/53/218353053.db2.gz JNZTVGQFNFICIM-KOLCDFICSA-N -1 3 345.392 2.869 40 0 EFABHM COc1cccc(-c2nnc3sc([N-]C(=O)c4ccco4)nn32)c1 ZINC000006818084 210720609 /nfs/dbraw/zinc/72/06/09/210720609.db2.gz CXJHUPKPFVFNFQ-UHFFFAOYSA-N -1 3 341.352 2.707 40 0 EFABHM O=c1cc(CSc2nnc(CCc3ccccc3)o2)occ1[O-] ZINC000096430417 218804236 /nfs/dbraw/zinc/80/42/36/218804236.db2.gz VVCNZLWIISSBQI-UHFFFAOYSA-N -1 3 330.365 2.806 40 0 EFABHM CCOC(=O)C1=C([O-])C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000005457534 276285755 /nfs/dbraw/zinc/28/57/55/276285755.db2.gz BJKBEPAPDYTTEN-DLBZAZTESA-N -1 3 337.375 2.831 40 0 EFABHM O=C1[N-]C(=O)[C@]2(N1)c1ccccc1-c1ccc(Br)cc12 ZINC000001569587 280280890 /nfs/dbraw/zinc/28/08/90/280280890.db2.gz CJYKMYGVSCEMHX-HNNXBMFYSA-N -1 3 329.153 2.513 40 0 EFABHM O=C(Nc1ncccc1[O-])C1(c2ccc(F)cc2F)CCOCC1 ZINC000097371183 323214292 /nfs/dbraw/zinc/21/42/92/323214292.db2.gz PKMMIKPNQHQGKR-UHFFFAOYSA-N -1 3 334.322 2.752 40 0 EFABHM C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([O-])cc1F ZINC000119443274 323215337 /nfs/dbraw/zinc/21/53/37/323215337.db2.gz KAOPZAGQVUERTH-VIFPVBQESA-N -1 3 336.750 2.942 40 0 EFABHM COc1ccccc1OCC(=O)[N-]c1cc(-c2cccnc2)no1 ZINC000096183994 473325978 /nfs/dbraw/zinc/32/59/78/473325978.db2.gz OPQNPJQZWKRMBZ-UHFFFAOYSA-N -1 3 325.324 2.763 40 0 EFABHM O=C([O-])[C@H](CC(=O)Nc1ccccc1Cl)NCc1ccccc1 ZINC000000195822 471333610 /nfs/dbraw/zinc/33/36/10/471333610.db2.gz YGQYUZGBVAKIMP-HNNXBMFYSA-N -1 3 332.787 2.912 40 0 EFABHM CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)Cc2ccc(OC)cc2)N1 ZINC000000302696 471344636 /nfs/dbraw/zinc/34/46/36/471344636.db2.gz OUTJSLYVZAGSNC-OAHLLOKOSA-N -1 3 344.333 2.877 40 0 EFABHM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001665880 471394817 /nfs/dbraw/zinc/39/48/17/471394817.db2.gz KOEVQQUUVMNSBO-UHFFFAOYSA-N -1 3 333.409 2.901 40 0 EFABHM O=C(CSc1n[n-]c(COc2ccccc2)n1)NC1CCCCC1 ZINC000005999427 471529929 /nfs/dbraw/zinc/52/99/29/471529929.db2.gz ROTAWRIXHKTNOX-UHFFFAOYSA-N -1 3 346.456 2.925 40 0 EFABHM COC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000006315123 471538998 /nfs/dbraw/zinc/53/89/98/471538998.db2.gz GEVHLPZGSXYFDU-ZETCQYMHSA-N -1 3 331.743 2.672 40 0 EFABHM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2Cl)c(C)s1 ZINC000006680010 471559266 /nfs/dbraw/zinc/55/92/66/471559266.db2.gz CBCHAFQYDRZHBY-UHFFFAOYSA-N -1 3 344.845 2.870 40 0 EFABHM CC(=O)c1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(C)c2)c1 ZINC000010314222 471733351 /nfs/dbraw/zinc/73/33/51/471733351.db2.gz HEUHVQDMOXXMLW-UHFFFAOYSA-N -1 3 346.408 2.821 40 0 EFABHM C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000012240003 471769193 /nfs/dbraw/zinc/76/91/93/471769193.db2.gz ILTQQPNQYFSKCY-CYBMUJFWSA-N -1 3 344.484 2.626 40 0 EFABHM CCCn1c(=O)[n-]nc1S[C@H](CC)C(=O)NCc1ccccc1 ZINC000012929671 471806547 /nfs/dbraw/zinc/80/65/47/471806547.db2.gz ULXOEYIQXVTFAN-CYBMUJFWSA-N -1 3 334.445 2.581 40 0 EFABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1NC(C)=O ZINC000013058940 471813832 /nfs/dbraw/zinc/81/38/32/471813832.db2.gz GJSYEFPSFWHDJY-UHFFFAOYSA-N -1 3 334.397 2.763 40 0 EFABHM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1C ZINC000013668101 471837504 /nfs/dbraw/zinc/83/75/04/471837504.db2.gz WKMLIQJSICNIHM-UHFFFAOYSA-N -1 3 349.408 2.981 40 0 EFABHM O=S(=O)(Cc1ccccc1)[N-]c1cnn(Cc2ccccc2)c1 ZINC000014227452 471863031 /nfs/dbraw/zinc/86/30/31/471863031.db2.gz GOKXJXMGVFZKGT-UHFFFAOYSA-N -1 3 327.409 2.873 40 0 EFABHM O=c1cc(-c2cccnc2)nc([C@@H]2CCCN(Cc3ccccn3)C2)[n-]1 ZINC000019401701 471979570 /nfs/dbraw/zinc/97/95/70/471979570.db2.gz GTTRBJRRXJXZGM-MRXNPFEDSA-N -1 3 347.422 2.607 40 0 EFABHM O=c1cc(-c2cccnc2)nc(C2CCN(Cc3ccccn3)CC2)[n-]1 ZINC000019401577 471979658 /nfs/dbraw/zinc/97/96/58/471979658.db2.gz JUCOMIQVHFESQX-UHFFFAOYSA-N -1 3 347.422 2.607 40 0 EFABHM CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000068429604 472189509 /nfs/dbraw/zinc/18/95/09/472189509.db2.gz HAYJYGYYFTXSNK-LBPRGKRZSA-N -1 3 328.368 2.926 40 0 EFABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000055546072 472202323 /nfs/dbraw/zinc/20/23/23/472202323.db2.gz VBEDTCCJXSPCJO-UHFFFAOYSA-N -1 3 349.408 2.656 40 0 EFABHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000028196517 472217251 /nfs/dbraw/zinc/21/72/51/472217251.db2.gz GNVULFKHBGGTBT-UHFFFAOYSA-N -1 3 341.335 2.861 40 0 EFABHM O=S(=O)(Cc1ccccc1Cl)NCc1ccc([O-])c(F)c1 ZINC000084938697 472229721 /nfs/dbraw/zinc/22/97/21/472229721.db2.gz YYVZPPYXNMWMLS-UHFFFAOYSA-N -1 3 329.780 2.804 40 0 EFABHM O=S(=O)([N-]CC[C@@H](O)c1cccs1)c1ccc(Cl)s1 ZINC000077114752 472455052 /nfs/dbraw/zinc/45/50/52/472455052.db2.gz VJORENVWCRSTCQ-MRVPVSSYSA-N -1 3 337.875 2.865 40 0 EFABHM O=C(c1ccc(Br)cc1)c1cccc2c1[N-]C(=O)C2=O ZINC000077270692 472489814 /nfs/dbraw/zinc/48/98/14/472489814.db2.gz OKYHDBOEDYARAM-UHFFFAOYSA-N -1 3 330.137 2.815 40 0 in-vitro EFABHM Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Br ZINC000070217123 472496097 /nfs/dbraw/zinc/49/60/97/472496097.db2.gz RGFPDXUFRNXHEC-UHFFFAOYSA-N -1 3 345.193 2.971 40 0 EFABHM O=C1[N-]C(=O)C(=Cc2cc(Br)c(N3CCCC3)o2)S1 ZINC000059678396 472628471 /nfs/dbraw/zinc/62/84/71/472628471.db2.gz HCIUQPYLGJQJPK-RMKNXTFCSA-N -1 3 343.202 2.966 40 0 EFABHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccccc3)no2)cc1 ZINC000107832111 472985658 /nfs/dbraw/zinc/98/56/58/472985658.db2.gz PDRBRPRNXIRTIJ-UHFFFAOYSA-N -1 3 329.381 2.524 40 0 EFABHM CC(C)n1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000096427661 473406978 /nfs/dbraw/zinc/40/69/78/473406978.db2.gz YCYWFXANUVRAHK-RYUDHWBXSA-N -1 3 339.383 2.863 40 0 EFABHM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1ccc(Cl)nc1 ZINC000096428285 473407977 /nfs/dbraw/zinc/40/79/77/473407977.db2.gz ZTLSZONBYDDHQA-UHFFFAOYSA-N -1 3 349.799 2.869 40 0 EFABHM C[C@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1cccc(Cl)c1 ZINC000096436144 473415172 /nfs/dbraw/zinc/41/51/72/473415172.db2.gz VISGAYVQKFDODR-LBPRGKRZSA-N -1 3 346.814 2.695 40 0 EFABHM CCc1nc(C[N-]S(=O)(=O)c2ccc(OC)c(F)c2C)cs1 ZINC000096501590 473454302 /nfs/dbraw/zinc/45/43/02/473454302.db2.gz IRNPMAWYWLGMIV-UHFFFAOYSA-N -1 3 344.433 2.640 40 0 EFABHM CC[C@@H](C(=O)[O-])N1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000191436987 473539247 /nfs/dbraw/zinc/53/92/47/473539247.db2.gz JLUHOZFURJYDSD-HOTGVXAUSA-N -1 3 326.387 2.897 40 0 EFABHM COc1ccc(S(=O)(=O)[N-]c2cccc(CN(C)C)c2)cc1F ZINC000153879006 473647188 /nfs/dbraw/zinc/64/71/88/473647188.db2.gz ZSIWOQQVQXOPSO-UHFFFAOYSA-N -1 3 338.404 2.697 40 0 EFABHM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cccc([O-])c2)c1 ZINC000182084712 474095101 /nfs/dbraw/zinc/09/51/01/474095101.db2.gz AVDVHGKFDMSLCI-CYBMUJFWSA-N -1 3 326.396 2.851 40 0 EFABHM Cc1noc(C)c1S(=O)(=O)[N-]CCSCc1ccccc1F ZINC000198209348 474106284 /nfs/dbraw/zinc/10/62/84/474106284.db2.gz VWVGMFMKIMEVEZ-UHFFFAOYSA-N -1 3 344.433 2.642 40 0 EFABHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)COc1ccc(C)c(C)c1 ZINC000222674081 474173166 /nfs/dbraw/zinc/17/31/66/474173166.db2.gz XFVABYXSKIIXJP-LBPRGKRZSA-N -1 3 338.429 2.654 40 0 EFABHM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc21 ZINC000222906972 474175756 /nfs/dbraw/zinc/17/57/56/474175756.db2.gz RDPUYBJULFVKRF-UHFFFAOYSA-N -1 3 348.399 2.926 40 0 EFABHM CCOc1ccc(CCC[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000223398967 474185178 /nfs/dbraw/zinc/18/51/78/474185178.db2.gz LIANYSVIXYCNNE-UHFFFAOYSA-N -1 3 338.429 2.601 40 0 EFABHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000223796690 474190007 /nfs/dbraw/zinc/19/00/07/474190007.db2.gz HHRGRPBHVNLREQ-UHFFFAOYSA-N -1 3 335.381 2.591 40 0 EFABHM O=C([O-])[C@@H](Cc1ccccc1F)N1CCN(c2ccccc2)CC1 ZINC000225143640 474202272 /nfs/dbraw/zinc/20/22/72/474202272.db2.gz BBKSTPYCRMCICF-GOSISDBHSA-N -1 3 328.387 2.644 40 0 EFABHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccsc1 ZINC000305175623 474710225 /nfs/dbraw/zinc/71/02/25/474710225.db2.gz AHRAZXVSKWVRRQ-CYBMUJFWSA-N -1 3 349.836 2.727 40 0 EFABHM COCCN1CCC[C@H](c2nccnc2-c2cccc(C(=O)[O-])c2)C1 ZINC000257278786 474927796 /nfs/dbraw/zinc/92/77/96/474927796.db2.gz ODRBVNKALXHUGK-INIZCTEOSA-N -1 3 341.411 2.668 40 0 EFABHM Cc1c[nH]nc1[C@H]1CCCN(Cc2ccccc2OCC(=O)[O-])C1 ZINC000257282516 474930557 /nfs/dbraw/zinc/93/05/57/474930557.db2.gz OUADAPBFRKCDOJ-HNNXBMFYSA-N -1 3 329.400 2.561 40 0 EFABHM O=c1[n-]c([C@@H]2CCCCN2)nc2c1CCN(Cc1ccsc1)C2 ZINC000257313970 474949725 /nfs/dbraw/zinc/94/97/25/474949725.db2.gz UUWKEWXITBPPFX-AWEZNQCLSA-N -1 3 330.457 2.617 40 0 EFABHM Cc1ccccc1CN1CCC[C@H](Cc2[n-]ncc2S(C)(=O)=O)C1 ZINC000257336241 474961964 /nfs/dbraw/zinc/96/19/64/474961964.db2.gz YNQQFAVMDCEKAQ-OAHLLOKOSA-N -1 3 347.484 2.576 40 0 EFABHM Cc1ccccc1CN1CCC[C@H](Cc2n[n-]cc2S(C)(=O)=O)C1 ZINC000257336241 474961971 /nfs/dbraw/zinc/96/19/71/474961971.db2.gz YNQQFAVMDCEKAQ-OAHLLOKOSA-N -1 3 347.484 2.576 40 0 EFABHM Cc1cc(NCc2ccc([O-])c(Br)c2)n2ncnc2n1 ZINC000301692561 476173761 /nfs/dbraw/zinc/17/37/61/476173761.db2.gz LDRDZDYOKLNAPS-UHFFFAOYSA-N -1 3 334.177 2.513 40 0 EFABHM COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)ccc2[O-])C1=O ZINC000409101045 476977797 /nfs/dbraw/zinc/97/77/97/476977797.db2.gz OYNWXUSZDZURNN-KEXZDQNZSA-N -1 3 341.772 2.643 40 0 EFABHM COCCN1C(=O)S/C(=C/c2cc(Cl)c([O-])c(OC)c2)C1=O ZINC000409124360 476978499 /nfs/dbraw/zinc/97/84/99/476978499.db2.gz BIDORLXYWXJPNT-YRNVUSSQSA-N -1 3 343.788 2.737 40 0 EFABHM COC[C@H]([N-]S(=O)(=O)c1sccc1C)c1cccc(OC)c1 ZINC000585091918 479278813 /nfs/dbraw/zinc/27/88/13/479278813.db2.gz HWCQLGJWSXXVAE-AWEZNQCLSA-N -1 3 341.454 2.731 40 0 EFABHM O=C([O-])c1ccccc1CN1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585279871 479308433 /nfs/dbraw/zinc/30/84/33/479308433.db2.gz RSXZJRVOSRSFPO-APWZRJJASA-N -1 3 325.408 2.810 40 0 EFABHM O=C(c1cccc([O-])c1)N1CC2(C1)C[C@@H](OCC1CCCC1)CCO2 ZINC000575406127 479439171 /nfs/dbraw/zinc/43/91/71/479439171.db2.gz WHFBQPRHYJPFRK-SFHVURJKSA-N -1 3 345.439 2.973 40 0 EFABHM O=C(c1cccc([O-])c1)N1CC2(C1)C[C@@H](Oc1cccnc1)CS2 ZINC000575405114 479439210 /nfs/dbraw/zinc/43/92/10/479439210.db2.gz SDAVCFKVNNCYRZ-MRXNPFEDSA-N -1 3 342.420 2.566 40 0 EFABHM CCN1C(=O)CCc2cc(S(=O)(=O)[N-]c3ccccc3F)ccc21 ZINC000257173336 521518827 /nfs/dbraw/zinc/51/88/27/521518827.db2.gz 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ZINC000012319029 471772215 /nfs/dbraw/zinc/77/22/15/471772215.db2.gz ZRKSSJHBXOKVIP-VPJDZLOFSA-N -1 3 342.317 2.891 40 0 EFABHM C[C@@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccccc2)no1 ZINC000013495421 471831167 /nfs/dbraw/zinc/83/11/67/471831167.db2.gz HQNUWRBRIQGPFF-GFCCVEGCSA-N -1 3 329.381 2.776 40 0 EFABHM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1OC ZINC000014186251 471859086 /nfs/dbraw/zinc/85/90/86/471859086.db2.gz KURBDRVPLROFPG-UHFFFAOYSA-N -1 3 329.324 2.783 40 0 EFABHM Cc1cccc(O[C@@H](C)c2nnc(NC(=O)c3cnn[n-]3)s2)c1C ZINC000019235706 471978257 /nfs/dbraw/zinc/97/82/57/471978257.db2.gz YJQREKVSWVHYQU-JTQLQIEISA-N -1 3 344.400 2.665 40 0 EFABHM Cc1cccc(O[C@@H](C)c2nnc(NC(=O)c3c[n-]nn3)s2)c1C ZINC000019235706 471978264 /nfs/dbraw/zinc/97/82/64/471978264.db2.gz YJQREKVSWVHYQU-JTQLQIEISA-N -1 3 344.400 2.665 40 0 EFABHM Cc1cccc(O[C@@H](C)c2nnc([N-]C(=O)c3cn[nH]n3)s2)c1C ZINC000019235706 471978270 /nfs/dbraw/zinc/97/82/70/471978270.db2.gz YJQREKVSWVHYQU-JTQLQIEISA-N -1 3 344.400 2.665 40 0 EFABHM CC(C)n1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccccc1)C3 ZINC000019821095 471984474 /nfs/dbraw/zinc/98/44/74/471984474.db2.gz XZSBGBBULITJNQ-ZDUSSCGKSA-N -1 3 349.390 2.578 40 0 EFABHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(C)cc3)no2)cc1 ZINC000033705379 471986735 /nfs/dbraw/zinc/98/67/35/471986735.db2.gz SJPKSGJIKWOQRK-UHFFFAOYSA-N -1 3 343.408 2.832 40 0 EFABHM Cc1ccc(S(=O)(=O)[N-]c2cc(N3CCOCC3)ccc2C)cc1 ZINC000041374664 472059590 /nfs/dbraw/zinc/05/95/90/472059590.db2.gz QCHNGOUFWOXGRJ-UHFFFAOYSA-N -1 3 346.452 2.941 40 0 EFABHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)OC)cc1 ZINC000055563880 472204701 /nfs/dbraw/zinc/20/47/01/472204701.db2.gz AJSLXYQXLZABNM-UHFFFAOYSA-N -1 3 349.408 2.602 40 0 EFABHM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000028776094 472235907 /nfs/dbraw/zinc/23/59/07/472235907.db2.gz ZWWLTMQGTPNCKL-UHFFFAOYSA-N -1 3 332.425 2.740 40 0 EFABHM C[C@@](N)(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000045331617 472392406 /nfs/dbraw/zinc/39/24/06/472392406.db2.gz HHKUVJAKUATCOG-LJQANCHMSA-N -1 3 325.364 2.534 40 0 EFABHM CC(C)(C)[C@@]1(O)C=C(C(F)(F)F)NN1C(=O)c1ccccc1[O-] ZINC000032100840 472416111 /nfs/dbraw/zinc/41/61/11/472416111.db2.gz HKCQWUSZDXDRCU-AWEZNQCLSA-N -1 3 330.306 2.891 40 0 EFABHM CC(C)(C)[C@]1(O)C=C(C(F)(F)F)NN1C(=O)c1cccc([O-])c1 ZINC000032100837 472416196 /nfs/dbraw/zinc/41/61/96/472416196.db2.gz BXRHKRBKWCFMIB-CQSZACIVSA-N -1 3 330.306 2.891 40 0 EFABHM CCOC(=O)c1c([O-])c(C(=O)OCC)n(C)c1-c1cccc(F)c1 ZINC000062709981 472746927 /nfs/dbraw/zinc/74/69/27/472746927.db2.gz ZFGJPJBASQJAKN-UHFFFAOYSA-N -1 3 335.331 2.890 40 0 EFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC)c2)cc1 ZINC000047653539 472749439 /nfs/dbraw/zinc/74/94/39/472749439.db2.gz XIKTYGMTEWLJBV-UHFFFAOYSA-N -1 3 348.424 2.554 40 0 EFABHM [O-]c1ccc(Br)c(CN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000091856527 472818721 /nfs/dbraw/zinc/81/87/21/472818721.db2.gz WHGWAUVUKDLTFP-UONOGXRCSA-N -1 3 344.274 2.861 40 0 EFABHM CCOC(=O)N=c1[n-]c2c(s1)CN(C(=O)[C@H]1CC=CCC1)CC2 ZINC000075157909 473141660 /nfs/dbraw/zinc/14/16/60/473141660.db2.gz GKWNXVATHUQWNG-NSHDSACASA-N -1 3 335.429 2.953 40 0 EFABHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)C[C@H](C)n2cccc2)c1 ZINC000096426586 473406112 /nfs/dbraw/zinc/40/61/12/473406112.db2.gz LTUMCEUKBPWDCB-ZDUSSCGKSA-N -1 3 335.429 2.758 40 0 EFABHM CC[C@H]([N-]S(=O)(=O)c1cnn(C(C)C)c1)c1ncc(C)s1 ZINC000096428128 473408566 /nfs/dbraw/zinc/40/85/66/473408566.db2.gz ZPXPZLMDIYUDHE-LBPRGKRZSA-N -1 3 328.463 2.659 40 0 EFABHM Cc1ccc([O-])c(CN2CCC[C@H]2c2nnc3n2CCCCC3)n1 ZINC000096489551 473446445 /nfs/dbraw/zinc/44/64/45/473446445.db2.gz UDVZBRMZPWVPRZ-HNNXBMFYSA-N -1 3 327.432 2.751 40 0 EFABHM Cc1cnc(C[N-]S(=O)(=O)c2cc(Cl)cc3c2OCC3)s1 ZINC000096502176 473454088 /nfs/dbraw/zinc/45/40/88/473454088.db2.gz SRCLATLSPGMNSU-UHFFFAOYSA-N -1 3 344.845 2.518 40 0 EFABHM Cc1cccnc1C(F)(F)C(=O)[N-]c1sccc1S(C)(=O)=O ZINC000192562558 473692336 /nfs/dbraw/zinc/69/23/36/473692336.db2.gz IUSVNQVGODVWCJ-UHFFFAOYSA-N -1 3 346.380 2.586 40 0 EFABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCC2=CCCCC2)c(Cl)c1 ZINC000224405782 474198045 /nfs/dbraw/zinc/19/80/45/474198045.db2.gz GJXJUQGHIOSKDM-UHFFFAOYSA-N -1 3 342.848 2.942 40 0 EFABHM COc1ccc(Br)c(S(=O)(=O)[N-]CC2(C)CCC2)c1 ZINC000175693756 474284430 /nfs/dbraw/zinc/28/44/30/474284430.db2.gz URPCPLJMNDFUNN-UHFFFAOYSA-N -1 3 348.262 2.926 40 0 EFABHM Cc1cnc(CS(=O)(=O)c2nnc([N-]c3ccccc3)s2)o1 ZINC000253417848 474744141 /nfs/dbraw/zinc/74/41/41/474744141.db2.gz GYKBFGUKWVCXKB-UHFFFAOYSA-N -1 3 336.398 2.552 40 0 EFABHM Cc1cnc([C@@H]2CCCN(C(=O)c3ccc4n[n-]nc4c3)C2)s1 ZINC000257283138 474930200 /nfs/dbraw/zinc/93/02/00/474930200.db2.gz OWWMNYRHPLCZFZ-GFCCVEGCSA-N -1 3 327.413 2.743 40 0 EFABHM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)c([O-])c1 ZINC000257289092 474934831 /nfs/dbraw/zinc/93/48/31/474934831.db2.gz PWYMDMSAORYFCV-BHIYHBOVSA-N -1 3 341.407 2.791 40 0 EFABHM Cc1ccccc1CN1CCC[C@@H](Cc2[n-]ncc2S(C)(=O)=O)C1 ZINC000257336240 474961521 /nfs/dbraw/zinc/96/15/21/474961521.db2.gz YNQQFAVMDCEKAQ-HNNXBMFYSA-N -1 3 347.484 2.576 40 0 EFABHM Cc1ccccc1CN1CCC[C@@H](Cc2n[n-]cc2S(C)(=O)=O)C1 ZINC000257336240 474961529 /nfs/dbraw/zinc/96/15/29/474961529.db2.gz YNQQFAVMDCEKAQ-HNNXBMFYSA-N -1 3 347.484 2.576 40 0 EFABHM Cc1cccc([C@H](C(=O)[O-])N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000390822566 476799724 /nfs/dbraw/zinc/79/97/24/476799724.db2.gz CVNMKMATQDFEGJ-LSDHHAIUSA-N -1 3 334.416 2.720 40 0 EFABHM O=C([N-]N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Cl)c(Cl)c1 ZINC000408643172 476969315 /nfs/dbraw/zinc/96/93/15/476969315.db2.gz FRUOQVDBAJMQSM-UWVGGRQHSA-N -1 3 339.178 2.589 40 0 EFABHM COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1[O-] ZINC000408822327 476974262 /nfs/dbraw/zinc/97/42/62/476974262.db2.gz LPLYYSFWBMBNBQ-UITAMQMPSA-N -1 3 344.186 2.829 40 0 EFABHM C[C@@H]1CCCC2=C1NN(C(=O)c1cccnc1)[C@@]2([O-])C(F)(F)F ZINC000409181079 476980132 /nfs/dbraw/zinc/98/01/32/476980132.db2.gz VQDCDJSUZGUTLX-PUYPPJJSSA-N -1 3 327.306 2.581 40 0 EFABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccncc1)[C@@]2([O-])C(F)(F)F ZINC000409177473 476980206 /nfs/dbraw/zinc/98/02/06/476980206.db2.gz BEQCVINDNYCTTG-PUYPPJJSSA-N -1 3 327.306 2.581 40 0 EFABHM CC(C)C1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(F)cc2)N1 ZINC000409358124 476982430 /nfs/dbraw/zinc/98/24/30/476982430.db2.gz KKLCBMLDBQAEJF-AWEZNQCLSA-N -1 3 348.296 2.700 40 0 EFABHM CN(CCn1cccn1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000572370099 478819816 /nfs/dbraw/zinc/81/98/16/478819816.db2.gz DTOYQYNVUUEAOY-ZDUSSCGKSA-N -1 3 328.199 2.948 40 0 EFABHM CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1cccc([O-])c1OC(F)(F)F ZINC000585141163 479298802 /nfs/dbraw/zinc/29/88/02/479298802.db2.gz QLTNSIULXIKMBL-BDAKNGLRSA-N -1 3 349.305 2.608 40 0 EFABHM Cc1ccccc1OC[C@]1(O)CCN(Cc2ccccc2C(=O)[O-])C1 ZINC000585277970 479307495 /nfs/dbraw/zinc/30/74/95/479307495.db2.gz YXASAARKJUULNY-FQEVSTJZSA-N -1 3 341.407 2.709 40 0 EFABHM O=C(c1cccc([O-])c1)N1CC2(C1)C[C@H](Oc1ccccn1)CS2 ZINC000575404164 479439003 /nfs/dbraw/zinc/43/90/03/479439003.db2.gz MPKJCVMTQOHYIW-HNNXBMFYSA-N -1 3 342.420 2.566 40 0 EFABHM CC(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1[O-] ZINC000646602990 481399566 /nfs/dbraw/zinc/39/95/66/481399566.db2.gz OYCBYROXOGHRTJ-GOSISDBHSA-N -1 3 338.407 2.724 40 0 EFABHM O=C(NCCc1cccnc1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187613730 534484100 /nfs/dbraw/zinc/48/41/00/534484100.db2.gz KHQUJIDADJKATP-UHFFFAOYSA-N -1 3 346.386 2.991 40 0 EFABHM O=S(=O)([N-]Cc1ccc[nH]1)c1ccc(Cl)cc1Br ZINC000225582886 564149793 /nfs/dbraw/zinc/14/97/93/564149793.db2.gz LDDLKIKRRPXYLY-UHFFFAOYSA-N -1 3 349.637 2.909 40 0 EFABHM CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)ccc2[O-])C1=O ZINC000205691442 568422523 /nfs/dbraw/zinc/42/25/23/568422523.db2.gz ISWIPSRGBSQDEE-IZZDOVSWSA-N -1 3 341.772 2.645 40 0 EFABHM Cc1ccc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)c([O-])c1 ZINC000055623853 214333985 /nfs/dbraw/zinc/33/39/85/214333985.db2.gz XXOXSNQOQZCKHW-UHFFFAOYSA-N -1 3 348.402 2.841 40 0 EFABHM Cc1noc(C)c1S(=O)(=O)[N-]CCOc1cccc2ccccc21 ZINC000056123830 214360172 /nfs/dbraw/zinc/36/01/72/214360172.db2.gz UAHRORLIXVEAPG-UHFFFAOYSA-N -1 3 346.408 2.802 40 0 EFABHM CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CCc2ccccc2O)N1 ZINC000004503869 210206024 /nfs/dbraw/zinc/20/60/24/210206024.db2.gz OZIICHIZDBWMGG-HNNXBMFYSA-N -1 3 344.333 2.964 40 0 EFABHM CCOC(=O)[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(SC)cc2)C1 ZINC000035622923 213042869 /nfs/dbraw/zinc/04/28/69/213042869.db2.gz NWIRMAUXRXJNSL-HIFRSBDPSA-N -1 3 337.441 2.809 40 0 EFABHM O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)cc1)NCc1ccccc1 ZINC000000195722 209477423 /nfs/dbraw/zinc/47/74/23/209477423.db2.gz BKMSFKHMILVYJG-OAHLLOKOSA-N -1 3 332.787 2.912 40 0 EFABHM COCCN1CCC(c2nccnc2[N-]c2nc(C)cs2)CC1 ZINC000072367902 216174899 /nfs/dbraw/zinc/17/48/99/216174899.db2.gz ONTXDGHDTIULQM-UHFFFAOYSA-N -1 3 333.461 2.811 40 0 EFABHM c1cnc(N2CCCC[C@@H]2c2ccnc([N-]c3cnccn3)n2)nc1 ZINC000072377964 216178853 /nfs/dbraw/zinc/17/88/53/216178853.db2.gz IDOVRWQHFQBLOZ-CQSZACIVSA-N -1 3 334.387 2.532 40 0 EFABHM O=C(C1CCCC1)N1CCC[C@H]1c1ccnc([N-]c2cnccn2)n1 ZINC000072377958 216179775 /nfs/dbraw/zinc/17/97/75/216179775.db2.gz AYMWZNYOALRVFF-HNNXBMFYSA-N -1 3 338.415 2.864 40 0 EFABHM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1OC ZINC000022841721 212327794 /nfs/dbraw/zinc/32/77/94/212327794.db2.gz QQCKTQJJXSGWGJ-UHFFFAOYSA-N -1 3 325.361 2.952 40 0 EFABHM O=C(CNC(=O)c1ccc2[n-]c(Cl)nc2c1)Nc1ccccc1 ZINC000225986346 242083677 /nfs/dbraw/zinc/08/36/77/242083677.db2.gz XYEXEVROFDFRLQ-UHFFFAOYSA-N -1 3 328.759 2.585 40 0 EFABHM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(=NN)sc3c2)cc1 ZINC000226314475 242098472 /nfs/dbraw/zinc/09/84/72/242098472.db2.gz DLBYQKYOVXASPC-UHFFFAOYSA-N -1 3 334.426 2.691 40 0 EFABHM Cc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c([O-])c1 ZINC000021596184 212233083 /nfs/dbraw/zinc/23/30/83/212233083.db2.gz QYJKXFMXLVZSSG-UHFFFAOYSA-N -1 3 344.392 2.599 40 0 EFABHM [O-]c1ccc(Br)c(CN2CCS[C@@H]3COCC[C@H]32)c1 ZINC000230181813 242244355 /nfs/dbraw/zinc/24/43/55/242244355.db2.gz WHGWAUVUKDLTFP-ZIAGYGMSSA-N -1 3 344.274 2.861 40 0 EFABHM c1ccc(CN2CC[C@H](c3ccnc([N-]c4ncccn4)n3)C2)cc1 ZINC000257203352 244125635 /nfs/dbraw/zinc/12/56/35/244125635.db2.gz APPTXBMDZUSAQE-INIZCTEOSA-N -1 3 332.411 3.000 40 0 EFABHM Cc1ccsc1CN1CCC[C@H](c2[n-]ncc2S(C)(=O)=O)C1 ZINC000257215337 244164015 /nfs/dbraw/zinc/16/40/15/244164015.db2.gz CPQNFGHUEPQOLS-LBPRGKRZSA-N -1 3 339.486 2.563 40 0 EFABHM Cc1ccsc1CN1CCC[C@H](c2n[n-]cc2S(C)(=O)=O)C1 ZINC000257215337 244164024 /nfs/dbraw/zinc/16/40/24/244164024.db2.gz CPQNFGHUEPQOLS-LBPRGKRZSA-N -1 3 339.486 2.563 40 0 EFABHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1 ZINC000020110606 212102331 /nfs/dbraw/zinc/10/23/31/212102331.db2.gz KJHJHOWKTWVXAV-UHFFFAOYSA-N -1 3 341.335 2.693 40 0 EFABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)N1CCCCC1 ZINC000019937665 212087803 /nfs/dbraw/zinc/08/78/03/212087803.db2.gz KVPYJLYGVDTZLP-UHFFFAOYSA-N -1 3 331.803 2.645 40 0 EFABHM CC(C)Cc1cc(C(=O)NCCCc2ccc(Cl)cc2)[n-]c(=O)n1 ZINC000019447483 212028458 /nfs/dbraw/zinc/02/84/58/212028458.db2.gz FYKRIHGYACTGBH-UHFFFAOYSA-N -1 3 347.846 2.984 40 0 EFABHM O=c1cc(-c2cccnc2)nc([C@@H]2CCCN(Cc3cccnc3)C2)[n-]1 ZINC000019339106 212017775 /nfs/dbraw/zinc/01/77/75/212017775.db2.gz CSRWABVXGDHDMR-QGZVFWFLSA-N -1 3 347.422 2.607 40 0 EFABHM COc1ccc(CN2CCc3nc(C)[n-]c(=O)c3CC2)c2ccccc12 ZINC000019286432 212009809 /nfs/dbraw/zinc/00/98/09/212009809.db2.gz JIPTXCITJAHWQI-UHFFFAOYSA-N -1 3 349.434 2.841 40 0 EFABHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000078914769 217147543 /nfs/dbraw/zinc/14/75/43/217147543.db2.gz KIIBUPFWQQPGNP-OLZOCXBDSA-N -1 3 339.326 2.510 40 0 EFABHM O=C(Nc1cccc2c(=O)[n-][nH]c(=O)c12)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000078914769 217147547 /nfs/dbraw/zinc/14/75/47/217147547.db2.gz KIIBUPFWQQPGNP-OLZOCXBDSA-N -1 3 339.326 2.510 40 0 EFABHM O=C(CCCc1ccccc1)[N-]OCC(=O)Nc1ccc(F)cc1F ZINC000079002829 217172596 /nfs/dbraw/zinc/17/25/96/217172596.db2.gz YNJZYJJRIVMQKH-UHFFFAOYSA-N -1 3 348.349 2.974 40 0 EFABHM CCN(CCC(F)(F)F)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000080611123 217318398 /nfs/dbraw/zinc/31/83/98/217318398.db2.gz MKCREWIJSRPQJB-UHFFFAOYSA-N -1 3 333.354 2.790 40 0 EFABHM O=C(c1cccc([O-])c1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000000356144 296253880 /nfs/dbraw/zinc/25/38/80/296253880.db2.gz YIWYJCFCNXYKRS-FZMZJTMJSA-N -1 3 328.290 2.645 40 0 EFABHM O=C(c1cccc([O-])c1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000000356155 296253969 /nfs/dbraw/zinc/25/39/69/296253969.db2.gz YIWYJCFCNXYKRS-BXUZGUMPSA-N -1 3 328.290 2.645 40 0 EFABHM O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ncccc1[O-] ZINC000012521753 211397926 /nfs/dbraw/zinc/39/79/26/211397926.db2.gz ZZHXNWHHDPORMZ-UHFFFAOYSA-N -1 3 333.775 2.589 40 0 EFABHM CC(C)(C)C(=O)N1CCC(c2nc(-c3cccnc3)cc(=O)[n-]2)CC1 ZINC000012234385 211326963 /nfs/dbraw/zinc/32/69/63/211326963.db2.gz QVRUHXDKBHBLMC-UHFFFAOYSA-N -1 3 340.427 2.996 40 0 EFABHM COc1ccc(CN2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)cc1 ZINC000012121951 211298967 /nfs/dbraw/zinc/29/89/67/211298967.db2.gz KYCPKUGXZXVCQM-UHFFFAOYSA-N -1 3 348.406 2.811 40 0 EFABHM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c([O-])c1 ZINC000008984657 211026023 /nfs/dbraw/zinc/02/60/23/211026023.db2.gz NJNOOMNNLYCABV-UHFFFAOYSA-N -1 3 348.424 2.640 40 0 EFABHM COc1ccccc1OCC(=O)[N-]c1cc(-c2ccncc2)no1 ZINC000096183265 218645682 /nfs/dbraw/zinc/64/56/82/218645682.db2.gz XNIDXDYFWSTJLR-UHFFFAOYSA-N -1 3 325.324 2.763 40 0 EFABHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2c(Cl)cccc2Cl)S1 ZINC000000273438 278086626 /nfs/dbraw/zinc/08/66/26/278086626.db2.gz KTTCBYOCVXQWIE-NSHDSACASA-N -1 3 332.212 2.994 40 0 EFABHM CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000065071512 323213101 /nfs/dbraw/zinc/21/31/01/323213101.db2.gz HAYJYGYYFTXSNK-GFCCVEGCSA-N -1 3 328.368 2.926 40 0 EFABHM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccncc1[O-] ZINC000097233333 323213956 /nfs/dbraw/zinc/21/39/56/323213956.db2.gz LMMKDHTXKXCNEX-MRVPVSSYSA-N -1 3 342.321 2.905 40 0 EFABHM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccncc1[O-] ZINC000097233335 323214047 /nfs/dbraw/zinc/21/40/47/323214047.db2.gz LMMKDHTXKXCNEX-QMMMGPOBSA-N -1 3 342.321 2.905 40 0 EFABHM Cc1ccc([C@H](C(=O)[O-])N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000095635343 473223358 /nfs/dbraw/zinc/22/33/58/473223358.db2.gz NYSASCGYJCTPJA-LSDHHAIUSA-N -1 3 334.416 2.720 40 0 EFABHM CCOc1ccc([C@H](N)c2nc(-c3ccccc3[O-])n[nH]2)cc1OC ZINC000095534222 473223483 /nfs/dbraw/zinc/22/34/83/473223483.db2.gz GJPLMZQWEMWITD-INIZCTEOSA-N -1 3 340.383 2.633 40 0 EFABHM COCCn1nc(C)c([N-]S(=O)(=O)C2CCC(C)(C)CC2)c1C ZINC000096496696 473451501 /nfs/dbraw/zinc/45/15/01/473451501.db2.gz NIZONDPBNGGSRK-UHFFFAOYSA-N -1 3 343.493 2.857 40 0 EFABHM C[C@H]1CCC[C@H](C)N1C(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000096409163 473388349 /nfs/dbraw/zinc/38/83/49/473388349.db2.gz BBQOTVURWVEJLP-RYUDHWBXSA-N -1 3 331.445 2.748 40 0 EFABHM CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)Cc2ccc(OC)cc2)N1 ZINC000000302693 471344715 /nfs/dbraw/zinc/34/47/15/471344715.db2.gz OUTJSLYVZAGSNC-HNNXBMFYSA-N -1 3 344.333 2.877 40 0 EFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000000323870 471348464 /nfs/dbraw/zinc/34/84/64/471348464.db2.gz XMDYCKRUAAYLEQ-UHFFFAOYSA-N -1 3 335.381 2.657 40 0 EFABHM CC(C)CC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccccc2[O-])N1 ZINC000000356251 471350315 /nfs/dbraw/zinc/35/03/15/471350315.db2.gz DBCFWTIOWWKGQF-CQSZACIVSA-N -1 3 330.306 2.891 40 0 EFABHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000000428671 471359076 /nfs/dbraw/zinc/35/90/76/471359076.db2.gz IYSKCWVNMAWAJG-UHFFFAOYSA-N -1 3 344.436 2.959 40 0 EFABHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)cc(CCNC=O)c2C)cc1 ZINC000001674791 471396611 /nfs/dbraw/zinc/39/66/11/471396611.db2.gz RQYRQISBABPBHB-UHFFFAOYSA-N -1 3 346.452 2.701 40 0 EFABHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000005277404 471497798 /nfs/dbraw/zinc/49/77/98/471497798.db2.gz JWEAXGPQXHJDDT-UHFFFAOYSA-N -1 3 334.372 2.820 40 0 EFABHM O=C(COc1ccccc1Cc1ccccc1)[N-]C1=NCCS1 ZINC000005633875 471515110 /nfs/dbraw/zinc/51/51/10/471515110.db2.gz YBIQTROPRTZRPX-UHFFFAOYSA-N -1 3 326.421 2.875 40 0 EFABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1C ZINC000006348541 471541953 /nfs/dbraw/zinc/54/19/53/471541953.db2.gz SEYOSEILGGTZPX-UHFFFAOYSA-N -1 3 349.408 2.656 40 0 EFABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1NC(C)=O ZINC000006510702 471548699 /nfs/dbraw/zinc/54/86/99/471548699.db2.gz CDAMWKPSNYPPNM-UHFFFAOYSA-N -1 3 334.397 2.763 40 0 EFABHM O=C([O-])C1CCN(Cc2c(-c3cccs3)nc3ncccn32)CC1 ZINC000006740883 471564054 /nfs/dbraw/zinc/56/40/54/471564054.db2.gz JFONUMSXWWPQKN-UHFFFAOYSA-N -1 3 342.424 2.754 40 0 EFABHM CCOc1cc(C(=S)N2CCN(CC)CC2)cc(Cl)c1[O-] ZINC000006953484 471580417 /nfs/dbraw/zinc/58/04/17/471580417.db2.gz REWIEBOEMOHTFM-UHFFFAOYSA-N -1 3 328.865 2.757 40 0 EFABHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000007531878 471619781 /nfs/dbraw/zinc/61/97/81/471619781.db2.gz RSOWYKVCEORXSJ-GFCCVEGCSA-N -1 3 334.445 2.927 40 0 EFABHM C[C@@H](OC(=O)c1ccc(Cl)cc1[O-])C(=O)NCc1cccs1 ZINC000007774715 471635950 /nfs/dbraw/zinc/63/59/50/471635950.db2.gz QHNDGLXGPWOMRI-SECBINFHSA-N -1 3 339.800 2.969 40 0 EFABHM C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000012239545 471768944 /nfs/dbraw/zinc/76/89/44/471768944.db2.gz HBXREWQUYZYVGP-BPLDGKMQSA-N -1 3 338.411 2.606 40 0 EFABHM C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000012240006 471769396 /nfs/dbraw/zinc/76/93/96/471769396.db2.gz ILTQQPNQYFSKCY-ZDUSSCGKSA-N -1 3 344.484 2.626 40 0 EFABHM O=c1[n-]nc(SCc2nc3ccccc3n2C(F)F)n1C1CC1 ZINC000012544355 471780111 /nfs/dbraw/zinc/78/01/11/471780111.db2.gz BBUJXHUBSYGQSA-UHFFFAOYSA-N -1 3 337.355 2.943 40 0 EFABHM CCN1CCN(c2nc(-c3cccc4ccccc43)cc(=O)[n-]2)CC1 ZINC000014162222 471856552 /nfs/dbraw/zinc/85/65/52/471856552.db2.gz LRJWVTBOOZAKMF-UHFFFAOYSA-N -1 3 334.423 2.732 40 0 EFABHM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1 ZINC000015756091 471916074 /nfs/dbraw/zinc/91/60/74/471916074.db2.gz RDYXMXJBEUCVPE-UHFFFAOYSA-N -1 3 342.779 2.640 40 0 EFABHM Cc1cccc(O[C@H](C)c2nnc(NC(=O)c3cnn[n-]3)s2)c1C ZINC000019235705 471978016 /nfs/dbraw/zinc/97/80/16/471978016.db2.gz YJQREKVSWVHYQU-SNVBAGLBSA-N -1 3 344.400 2.665 40 0 EFABHM Cc1cccc(O[C@H](C)c2nnc(NC(=O)c3c[n-]nn3)s2)c1C ZINC000019235705 471978021 /nfs/dbraw/zinc/97/80/21/471978021.db2.gz YJQREKVSWVHYQU-SNVBAGLBSA-N -1 3 344.400 2.665 40 0 EFABHM Cc1cccc(O[C@H](C)c2nnc([N-]C(=O)c3cn[nH]n3)s2)c1C ZINC000019235705 471978025 /nfs/dbraw/zinc/97/80/25/471978025.db2.gz YJQREKVSWVHYQU-SNVBAGLBSA-N -1 3 344.400 2.665 40 0 EFABHM O=c1cc(-c2cccnc2)nc([C@H]2CCCN(Cc3ccccn3)C2)[n-]1 ZINC000019401704 471979437 /nfs/dbraw/zinc/97/94/37/471979437.db2.gz GTTRBJRRXJXZGM-INIZCTEOSA-N -1 3 347.422 2.607 40 0 EFABHM C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1 ZINC000019463255 471980013 /nfs/dbraw/zinc/98/00/13/471980013.db2.gz GLBAMBLOZWVUSR-JHJVBQTASA-N -1 3 343.452 2.860 40 0 EFABHM CCOc1ccc2[n-]cc(C(=O)NCc3cccs3)c(=O)c2c1 ZINC000033945110 471987497 /nfs/dbraw/zinc/98/74/97/471987497.db2.gz KPNQATUSMBRSGN-UHFFFAOYSA-N -1 3 328.393 2.918 40 0 EFABHM O=S(=O)([N-]C[C@H]1CCCO1)c1ccc(Cl)cc1C(F)(F)F ZINC000023993595 472042718 /nfs/dbraw/zinc/04/27/18/472042718.db2.gz UIULIQXXLSLKRO-SECBINFHSA-N -1 3 343.754 2.816 40 0 EFABHM Cc1noc(C)c1S(=O)(=O)[N-]CCSCc1ccccc1 ZINC000025875322 472115782 /nfs/dbraw/zinc/11/57/82/472115782.db2.gz XCNHTWLAEQMDGM-UHFFFAOYSA-N -1 3 326.443 2.503 40 0 EFABHM O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000026540429 472142283 /nfs/dbraw/zinc/14/22/83/472142283.db2.gz NZAMWVKVIVVJPT-UHFFFAOYSA-N -1 3 344.798 2.644 40 0 EFABHM O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ncccc1[O-] ZINC000084358867 472171222 /nfs/dbraw/zinc/17/12/22/472171222.db2.gz UVXHEDLKGBMQFM-UHFFFAOYSA-N -1 3 342.351 2.550 40 0 EFABHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H](c2cccs2)N(C)C)c1 ZINC000042985786 472188435 /nfs/dbraw/zinc/18/84/35/472188435.db2.gz ZCMOMZRRZIXAJI-ZDUSSCGKSA-N -1 3 342.461 2.777 40 0 EFABHM Cc1ccc(OS(=O)(=O)c2c[n-]c(C(=O)N3CCCC3)c2)cc1C ZINC000027936992 472203610 /nfs/dbraw/zinc/20/36/10/472203610.db2.gz OOHZMLAPOMAUGM-UHFFFAOYSA-N -1 3 348.424 2.635 40 0 EFABHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(F)cc(N2CCCC2)c1 ZINC000076937025 472427518 /nfs/dbraw/zinc/42/75/18/472427518.db2.gz RTMPWWDCOIEIQM-MRXNPFEDSA-N -1 3 342.436 2.737 40 0 EFABHM CN1C(=O)CC[C@@H](NC(=O)c2cccc([O-])c2)[C@H]1c1cccs1 ZINC000097236872 472486512 /nfs/dbraw/zinc/48/65/12/472486512.db2.gz CNNUBWOWIWAYJW-CJNGLKHVSA-N -1 3 330.409 2.546 40 0 EFABHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1OC ZINC000058156446 472509384 /nfs/dbraw/zinc/50/93/84/472509384.db2.gz FIAUCIUNOSKPJA-GFCCVEGCSA-N -1 3 338.429 2.752 40 0 EFABHM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1ccc(F)cc1Cl ZINC000058549914 472580182 /nfs/dbraw/zinc/58/01/82/472580182.db2.gz AZNRLYFXLANORC-UHFFFAOYSA-N -1 3 337.763 2.943 40 0 EFABHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000048331773 472858866 /nfs/dbraw/zinc/85/88/66/472858866.db2.gz MJDFCSXFZCRDPY-UHFFFAOYSA-N -1 3 349.408 2.738 40 0 EFABHM O=S(=O)([N-]C[C@@](O)(c1ccco1)C1CC1)c1ccc(Cl)s1 ZINC000075154955 473140585 /nfs/dbraw/zinc/14/05/85/473140585.db2.gz BAHHLXJHYCWSJZ-ZDUSSCGKSA-N -1 3 347.845 2.571 40 0 EFABHM O=S(=O)([N-]C[C@](O)(c1ccco1)C1CC1)c1ccc(Cl)s1 ZINC000075154954 473140746 /nfs/dbraw/zinc/14/07/46/473140746.db2.gz BAHHLXJHYCWSJZ-CYBMUJFWSA-N -1 3 347.845 2.571 40 0 EFABHM CCOC(=O)N=c1[n-]c2c(s1)CN(C(=O)[C@@H]1CC=CCC1)CC2 ZINC000075157910 473141736 /nfs/dbraw/zinc/14/17/36/473141736.db2.gz GKWNXVATHUQWNG-LLVKDONJSA-N -1 3 335.429 2.953 40 0 EFABHM CC(=O)c1c(F)cccc1N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000096429372 473408270 /nfs/dbraw/zinc/40/82/70/473408270.db2.gz PJDHTLNEEFEARN-UHFFFAOYSA-N -1 3 342.370 2.696 40 0 EFABHM Cn1ncc2c1ncc(C(=O)N(CC1CCC1)c1ccccc1)c2[O-] ZINC000096500533 473452780 /nfs/dbraw/zinc/45/27/80/473452780.db2.gz LCOUFAQXKIGSNE-UHFFFAOYSA-N -1 3 336.395 2.709 40 0 EFABHM Cc1cc([N-]C(=O)[C@@H](C)N2CCN(c3cc(C)ccc3C)CC2)on1 ZINC000164724039 473496860 /nfs/dbraw/zinc/49/68/60/473496860.db2.gz QQJCWTJAOCEXEV-MRXNPFEDSA-N -1 3 342.443 2.749 40 0 EFABHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(OC[C@@H]3CCCCO3)CC2)n1 ZINC000192615356 473696991 /nfs/dbraw/zinc/69/69/91/473696991.db2.gz QLOGYUWZTZYOHR-HOCLYGCPSA-N -1 3 335.448 2.602 40 0 EFABHM O=C(c1ccc2n[n-]nc2c1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000192927458 473747995 /nfs/dbraw/zinc/74/79/95/473747995.db2.gz VNAAXBPFEAMJAE-ZDUSSCGKSA-N -1 3 342.424 2.841 40 0 EFABHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1OC)c1nccs1 ZINC000195276749 474047037 /nfs/dbraw/zinc/04/70/37/474047037.db2.gz BDMPILWTHHBWBW-LLVKDONJSA-N -1 3 326.443 2.890 40 0 EFABHM O=C(c1cccc2[n-]nnc21)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000195572860 474098314 /nfs/dbraw/zinc/09/83/14/474098314.db2.gz OMOBLSLCFCJZCT-SFHVURJKSA-N -1 3 336.395 2.544 40 0 EFABHM O=C(c1cccc2nn[n-]c21)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000195572860 474098324 /nfs/dbraw/zinc/09/83/24/474098324.db2.gz OMOBLSLCFCJZCT-SFHVURJKSA-N -1 3 336.395 2.544 40 0 EFABHM O=C(c1cccc2n[n-]nc21)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000195572860 474098331 /nfs/dbraw/zinc/09/83/31/474098331.db2.gz OMOBLSLCFCJZCT-SFHVURJKSA-N -1 3 336.395 2.544 40 0 EFABHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2CO)sc1Cl ZINC000195578800 474100731 /nfs/dbraw/zinc/10/07/31/474100731.db2.gz DAYWXBNCYRWYGE-UHFFFAOYSA-N -1 3 331.846 2.681 40 0 EFABHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)COc1ccc(C)c(C)c1 ZINC000222674148 474172864 /nfs/dbraw/zinc/17/28/64/474172864.db2.gz XFVABYXSKIIXJP-GFCCVEGCSA-N -1 3 338.429 2.654 40 0 EFABHM Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000223316432 474183971 /nfs/dbraw/zinc/18/39/71/474183971.db2.gz RKQKXHKWOQMLHZ-UHFFFAOYSA-N -1 3 338.772 2.884 40 0 EFABHM CCOc1ccccc1CCC[N-]S(=O)(=O)c1c(C)noc1C ZINC000225282495 474205966 /nfs/dbraw/zinc/20/59/66/474205966.db2.gz TYNXNJHLTYJTBY-UHFFFAOYSA-N -1 3 338.429 2.601 40 0 EFABHM Cc1cc(=O)[n-]c([C@@]2(C)CCCN2C(=O)CCc2ccccc2)n1 ZINC000257315587 474949313 /nfs/dbraw/zinc/94/93/13/474949313.db2.gz VCBLDXLQRFOMOO-LJQANCHMSA-N -1 3 325.412 2.961 40 0 EFABHM C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)NCCO)ccc1OC2(C)C ZINC000257333441 474959809 /nfs/dbraw/zinc/95/98/09/474959809.db2.gz YBORMPUOGIARHT-MRVWCRGKSA-N -1 3 333.428 2.805 40 0 EFABHM O=c1cc(C[C@H]2COCCN(Cc3ccccc3Cl)C2)nc[n-]1 ZINC000257340396 474963781 /nfs/dbraw/zinc/96/37/81/474963781.db2.gz ZFWFBQTYHJTUJA-CYBMUJFWSA-N -1 3 333.819 2.527 40 0 EFABHM CC1(C(N)=O)CCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC000257343444 474965991 /nfs/dbraw/zinc/96/59/91/474965991.db2.gz ZTBOVDUIIWDGNY-UHFFFAOYSA-N -1 3 342.395 2.732 40 0 EFABHM CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(F)cc2)N1 ZINC000409349306 476982672 /nfs/dbraw/zinc/98/26/72/476982672.db2.gz PQADGWBAMNHJBI-CQSZACIVSA-N -1 3 348.296 2.844 40 0 EFABHM Cc1cccc(CS(=O)(=O)[N-][C@@H](C)c2nc(C(F)(F)F)no2)c1 ZINC000585142037 479299715 /nfs/dbraw/zinc/29/97/15/479299715.db2.gz NBSPZFAQIVRXAS-VIFPVBQESA-N -1 3 349.334 2.577 40 0 EFABHM O=C([O-])c1ccccc1CN1CC[C@H](Cc2ccccc2)[C@H](O)C1 ZINC000585279872 479308677 /nfs/dbraw/zinc/30/86/77/479308677.db2.gz RSXZJRVOSRSFPO-VQIMIIECSA-N -1 3 325.408 2.810 40 0 EFABHM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)ccc1C ZINC000408587296 536406725 /nfs/dbraw/zinc/40/67/25/536406725.db2.gz BJNFHUQWPWWBLP-UHFFFAOYSA-N -1 3 332.425 2.772 40 0 EFABHM COC(=O)c1ccc(CNC(=O)c2ccc3[n-]c(Cl)nc3c2)o1 ZINC000225978844 536700790 /nfs/dbraw/zinc/70/07/90/536700790.db2.gz LHFRZBRMAHMYKQ-UHFFFAOYSA-N -1 3 333.731 2.526 40 0 EFABHM