smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1OCCN(Cc2ccc([O-])c(F)c2)[C@H]1C ZINC000380567427 712901684 /nfs/dbraw/zinc/90/16/84/712901684.db2.gz ZMAORICCVBRYEQ-UWVGGRQHSA-N -1 3 239.290 2.141 20 0 BEADHM CC/C=C/CNCc1ccoc1C(=O)[O-] ZINC000384735810 710953833 /nfs/dbraw/zinc/95/38/33/710953833.db2.gz KTSDTMHFRBEXGR-ONEGZZNKSA-N -1 3 209.245 2.034 20 0 BEADHM CC/C=C\CNCc1cc(C(=O)[O-])oc1C ZINC000384731268 710995458 /nfs/dbraw/zinc/99/54/58/710995458.db2.gz JQDGPMFTUVUXPL-PLNGDYQASA-N -1 3 223.272 2.342 20 0 BEADHM Cc1cccc(CCC(=O)[N-]OC(C)C)c1 ZINC000393365914 711158176 /nfs/dbraw/zinc/15/81/76/711158176.db2.gz LPXLXPBITSDAIG-UHFFFAOYSA-N -1 3 221.300 2.384 20 0 BEADHM CC1(C2(NCc3cc(C(=O)[O-])co3)CC2)CC1 ZINC000398139855 711403439 /nfs/dbraw/zinc/40/34/39/711403439.db2.gz UFQRMDHPAOIZNV-UHFFFAOYSA-N -1 3 235.283 2.400 20 0 BEADHM Cc1cnc(CNc2cc(=O)[n-]c(C)n2)c(C)c1 ZINC000724073912 711559160 /nfs/dbraw/zinc/55/91/60/711559160.db2.gz QYHIVTUDQPKVJU-UHFFFAOYSA-N -1 3 244.298 2.115 20 0 BEADHM C[C@@H]1CCN(Cc2cncc(C(=O)[O-])c2)C[C@@H]1C ZINC000721544797 711621423 /nfs/dbraw/zinc/62/14/23/711621423.db2.gz DOWPZYJXBUSIAN-MNOVXSKESA-N -1 3 248.326 2.258 20 0 BEADHM CC[C@@H]1CC[C@@H](C)N1Cc1cc(C(=O)[O-])no1 ZINC000136276835 711647346 /nfs/dbraw/zinc/64/73/46/711647346.db2.gz ZGZYGPAIRCMMOF-RKDXNWHRSA-N -1 3 238.287 2.136 20 0 BEADHM CC1(C)C[C@]1(C)NCc1cc(C(=O)[O-])co1 ZINC000701951753 712033209 /nfs/dbraw/zinc/03/32/09/712033209.db2.gz TVPNGQXMZBLZPP-LBPRGKRZSA-N -1 3 223.272 2.256 20 0 BEADHM CC1(C)CCN1Cc1csc(C(=O)[O-])c1 ZINC000706917273 712158251 /nfs/dbraw/zinc/15/82/51/712158251.db2.gz LHDYUYPNJVFXGB-UHFFFAOYSA-N -1 3 225.313 2.431 20 0 BEADHM Cc1nc(N[C@@H]2CCCC23CC3)cc(=O)[n-]1 ZINC000706923873 712161195 /nfs/dbraw/zinc/16/11/95/712161195.db2.gz LFENZONVCKQRGT-SECBINFHSA-N -1 3 219.288 2.235 20 0 BEADHM O=c1cc(NC2CCC3(CC3)CC2)nc[n-]1 ZINC000709975546 712236714 /nfs/dbraw/zinc/23/67/14/712236714.db2.gz BTYIZBMCJGXXQM-UHFFFAOYSA-N -1 3 219.288 2.317 20 0 BEADHM O=C(NC[C@@H]1C=CCC1)c1ccccc1[O-] ZINC000711776841 712327888 /nfs/dbraw/zinc/32/78/88/712327888.db2.gz ILWJSRYCQOBNCF-SNVBAGLBSA-N -1 3 217.268 2.088 20 0 BEADHM CO[C@H]1C[C@@H](COc2ccc3c([O-])coc3c2)C1 ZINC000721130886 712892051 /nfs/dbraw/zinc/89/20/51/712892051.db2.gz KORQXVMCGGCSKB-JGZJWPJOSA-N -1 3 248.278 2.066 20 0 BEADHM CC(C)(C)Cc1cc([N-]C(=O)C(F)F)on1 ZINC001142781695 961742817 /nfs/dbraw/zinc/74/28/17/961742817.db2.gz HWPGDUVEAQJIRK-UHFFFAOYSA-N -1 3 232.230 2.467 20 0 BEADHM CC1(C)CC[C@@H]1NCc1ncc(C(=O)[O-])s1 ZINC000309434561 963348607 /nfs/dbraw/zinc/34/86/07/963348607.db2.gz KAWSOXDLXQJRAW-QMMMGPOBSA-N -1 3 240.328 2.120 20 0 BEADHM [O-]c1cccc(OC2CCOCC2)c1F ZINC001233867105 965599696 /nfs/dbraw/zinc/59/96/96/965599696.db2.gz BDIPIRAGWRSTFY-UHFFFAOYSA-N -1 3 212.220 2.089 20 0 BEADHM Cc1ccc(F)c(-c2cncnc2)c1[O-] ZINC001250599948 968140123 /nfs/dbraw/zinc/14/01/23/968140123.db2.gz OUFSHNZNKWALOS-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM CCCNC(=O)Nc1ccc([O-])c(F)c1 ZINC000082878379 1165929393 /nfs/dbraw/zinc/92/93/93/1165929393.db2.gz MMRMDKKDBYANHP-UHFFFAOYSA-N -1 3 212.224 2.063 20 0 BEADHM CC(C)c1cccnc1[N-]S(=O)(=O)C(C)C ZINC001252438817 968692774 /nfs/dbraw/zinc/69/27/74/968692774.db2.gz NKIXWGBVOVVTAR-UHFFFAOYSA-N -1 3 242.344 2.355 20 0 BEADHM Cc1cc(-c2ccc([O-])c(F)c2)cnc1N ZINC000082730053 1166076891 /nfs/dbraw/zinc/07/68/91/1166076891.db2.gz KNTUNEAMWSCWCH-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM CCO[C@@H](CC(=O)[N-]OC(C)(C)C)C(C)C ZINC001253799072 969414348 /nfs/dbraw/zinc/41/43/48/969414348.db2.gz AYUOVSXKUSIALD-JTQLQIEISA-N -1 3 231.336 2.284 20 0 BEADHM CCOC(=O)[C@@H]1CCC[C@H](NC2=CC=C[CH]2)C1 ZINC001255348401 970122743 /nfs/dbraw/zinc/12/27/43/970122743.db2.gz HSQZDTYNLUZZAN-YPMHNXCESA-N -1 3 234.319 2.356 20 0 BEADHM CCOC(=O)CCc1ccc(F)cc1[O-] ZINC000238272230 1166839552 /nfs/dbraw/zinc/83/95/52/1166839552.db2.gz MBGMWGLNHFRALN-UHFFFAOYSA-N -1 3 212.220 2.027 20 0 BEADHM O=c1cc(NCC2CCC(F)CC2)nc[n-]1 ZINC000894361907 1167060852 /nfs/dbraw/zinc/06/08/52/1167060852.db2.gz QATDZIHJZOOUJT-UHFFFAOYSA-N -1 3 225.267 2.122 20 0 BEADHM Cc1nc(O[C@@H](C)c2ncccc2F)cc(=O)[n-]1 ZINC001226512163 1167140787 /nfs/dbraw/zinc/14/07/87/1167140787.db2.gz OIXWVEVKXVEDLF-ZETCQYMHSA-N -1 3 249.245 2.165 20 0 BEADHM O=c1cc(O[C@H]2CCOc3ccccc32)nc[n-]1 ZINC001226944686 1167201999 /nfs/dbraw/zinc/20/19/99/1167201999.db2.gz HQFUCZWNWPIFTQ-NSHDSACASA-N -1 3 244.250 2.085 20 0 BEADHM Cc1nnc([N-]c2ccc(F)c(F)c2)o1 ZINC001173865667 975811942 /nfs/dbraw/zinc/81/19/42/975811942.db2.gz WELJLXQECKEUHB-UHFFFAOYSA-N -1 3 211.171 2.400 20 0 BEADHM Cc1nc(O[C@@H](C)C2CCC2)c(C)c(=O)[n-]1 ZINC001229684490 976941633 /nfs/dbraw/zinc/94/16/33/976941633.db2.gz CGSVCRCMGGDEAF-QMMMGPOBSA-N -1 3 222.288 2.366 20 0 BEADHM C[C@@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000386571070 1167715779 /nfs/dbraw/zinc/71/57/79/1167715779.db2.gz XLXPWGNGEXQWEE-PTRXPTGYSA-N -1 3 243.314 2.323 20 0 BEADHM C[C@@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000386571070 1167715783 /nfs/dbraw/zinc/71/57/83/1167715783.db2.gz XLXPWGNGEXQWEE-PTRXPTGYSA-N -1 3 243.314 2.323 20 0 BEADHM [O-]c1cccc(CN2CCSCC2)c1F ZINC001233051473 978447658 /nfs/dbraw/zinc/44/76/58/978447658.db2.gz NWDQKHSAUYLEBE-UHFFFAOYSA-N -1 3 227.304 2.080 20 0 BEADHM CC(C)[C@H](O)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001179606423 978731742 /nfs/dbraw/zinc/73/17/42/978731742.db2.gz GJAQGCIUSJPWJZ-JTQLQIEISA-N -1 3 243.690 2.001 20 0 BEADHM O=C(Nc1ccc(F)c([O-])c1)[C@@H]1C[C@]1(F)Cl ZINC001181663696 979232821 /nfs/dbraw/zinc/23/28/21/979232821.db2.gz FQNHIJRUEMZXOX-QUBYGPBYSA-N -1 3 247.628 2.394 20 0 BEADHM CSC[C@H](C)C(=O)Nc1ccc(F)c([O-])c1 ZINC001183214694 979775575 /nfs/dbraw/zinc/77/55/75/979775575.db2.gz PPGXLXLYRYKOJN-ZETCQYMHSA-N -1 3 243.303 2.469 20 0 BEADHM CC[C@@H](CN[C@H](C)c1cc(C(=O)[O-])co1)OC ZINC001605040559 979802042 /nfs/dbraw/zinc/80/20/42/979802042.db2.gz PFWOFGQYKTWOBA-SCZZXKLOSA-N -1 3 241.287 2.053 20 0 BEADHM FC1(F)COCCN(Cc2occc2[S-])C1 ZINC001237181897 979834392 /nfs/dbraw/zinc/83/43/92/979834392.db2.gz OZOPCSZILLQCGC-UHFFFAOYSA-N -1 3 249.282 2.036 20 0 BEADHM CSc1cccc(-c2nnn[n-]2)c1Cl ZINC001605388782 979862268 /nfs/dbraw/zinc/86/22/68/979862268.db2.gz AZEKQTSKINQVDQ-UHFFFAOYSA-N -1 3 226.692 2.242 20 0 BEADHM CSc1cccc(-c2nn[n-]n2)c1Cl ZINC001605388782 979862271 /nfs/dbraw/zinc/86/22/71/979862271.db2.gz AZEKQTSKINQVDQ-UHFFFAOYSA-N -1 3 226.692 2.242 20 0 BEADHM [O-]c1cc(F)cc(-c2ccnc3[nH]cnc32)c1 ZINC001241272665 1168464506 /nfs/dbraw/zinc/46/45/06/1168464506.db2.gz VISWAKKJHNWRRH-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM CCCCCNC(=O)Nc1cncc([O-])c1 ZINC001193295511 981285151 /nfs/dbraw/zinc/28/51/51/981285151.db2.gz MYWWRQQUXRKHEA-UHFFFAOYSA-N -1 3 223.276 2.099 20 0 BEADHM CCCCOC(=O)Nc1cncc([O-])c1 ZINC001193669719 981403086 /nfs/dbraw/zinc/40/30/86/981403086.db2.gz IXKBZGQNJKGQNC-UHFFFAOYSA-N -1 3 210.233 2.136 20 0 BEADHM C[C@@H](N[C@@H](C)CC(=O)[O-])c1cc(O)ccc1F ZINC001589005064 982571555 /nfs/dbraw/zinc/57/15/55/982571555.db2.gz ZCSSGHROXXEILA-JGVFFNPUSA-N -1 3 241.262 2.045 20 0 BEADHM O=C([N-]OCC1CC1)C12CCC(CC1)CC2 ZINC001353689734 982971394 /nfs/dbraw/zinc/97/13/94/982971394.db2.gz NZWZQPXAJAHECG-UHFFFAOYSA-N -1 3 223.316 2.415 20 0 BEADHM C[C@@H](NCc1ccc(C(=O)[O-])o1)[C@@H]1CC1(F)F ZINC001353909604 983069239 /nfs/dbraw/zinc/06/92/39/983069239.db2.gz JBRZOXUMDIBYCW-SVRRBLITSA-N -1 3 245.225 2.111 20 0 BEADHM Cc1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1 ZINC000095341190 1169021968 /nfs/dbraw/zinc/02/19/68/1169021968.db2.gz OCWAKIGHWIMNJJ-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1 ZINC000095341190 1169021975 /nfs/dbraw/zinc/02/19/75/1169021975.db2.gz OCWAKIGHWIMNJJ-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1nc(O[C@H](C)C2CCC2)cc(=O)[n-]1 ZINC000719737374 1169063818 /nfs/dbraw/zinc/06/38/18/1169063818.db2.gz PHDXCHZFHQTFEV-SSDOTTSWSA-N -1 3 208.261 2.058 20 0 BEADHM Cc1cnc([C@@H](C)NCCCCC(=O)[O-])s1 ZINC000235203110 949852960 /nfs/dbraw/zinc/85/29/60/949852960.db2.gz DAOGXQLXESXEKA-SECBINFHSA-N -1 3 242.344 2.357 20 0 BEADHM C[C@]1(F)CCN(Cc2ncccc2[O-])C[C@H]1F ZINC001138390553 1169357237 /nfs/dbraw/zinc/35/72/37/1169357237.db2.gz ANDAWUWBNSOOTO-NEPJUHHUSA-N -1 3 242.269 2.059 20 0 BEADHM [O-]c1cc(F)c(CN2C[C@@H]3C[C@@H]3C2)cc1F ZINC001144647449 972906134 /nfs/dbraw/zinc/90/61/34/972906134.db2.gz GCBYXOMSEZKEKP-OCAPTIKFSA-N -1 3 225.238 2.122 20 0 BEADHM [O-]c1cc(F)c(Nc2ccon2)cc1F ZINC001215570261 970785587 /nfs/dbraw/zinc/78/55/87/970785587.db2.gz PWSOOABBRHKGHV-UHFFFAOYSA-N -1 3 212.155 2.402 20 0 BEADHM Cn1cnc(Nc2cc(F)c([O-])cc2F)c1 ZINC001215569931 970785792 /nfs/dbraw/zinc/78/57/92/970785792.db2.gz JHBIZHRVTXADKU-UHFFFAOYSA-N -1 3 225.198 2.148 20 0 BEADHM Nc1cn(-c2cc(F)c([O-])cc2F)nc1Cl ZINC001215572184 970791734 /nfs/dbraw/zinc/79/17/34/970791734.db2.gz PDQZIUYXZASMNL-UHFFFAOYSA-N -1 3 245.616 2.092 20 0 BEADHM COc1ccc([N-]c2nnc(C)o2)c2c[nH]nc21 ZINC001215764079 970834729 /nfs/dbraw/zinc/83/47/29/970834729.db2.gz HMFRWNYHEZUBTO-UHFFFAOYSA-N -1 3 245.242 2.007 20 0 BEADHM COc1nonc1[N-]c1cccc(OC)c1C ZINC001215797574 970848111 /nfs/dbraw/zinc/84/81/11/970848111.db2.gz COVZRAMTHCSYEP-UHFFFAOYSA-N -1 3 235.243 2.139 20 0 BEADHM [O-]c1ccc(-c2c[nH]cc3ncnc2-3)c(F)c1 ZINC001206057472 970849959 /nfs/dbraw/zinc/84/99/59/970849959.db2.gz FDAFFRDVIAFDMR-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM Cn1cnc([N-]c2cc(F)cc(F)c2Cl)n1 ZINC001215951904 970879050 /nfs/dbraw/zinc/87/90/50/970879050.db2.gz HNMYYMDFEPRZOT-UHFFFAOYSA-N -1 3 244.632 2.490 20 0 BEADHM [O-]c1ccc(-c2ccnc3[nH]cnc32)c(F)c1 ZINC001206057951 970905329 /nfs/dbraw/zinc/90/53/29/970905329.db2.gz XTTXKISFEVIECH-UHFFFAOYSA-N -1 3 229.214 2.421 20 0 BEADHM Cc1nc(N[C@@H]2CC[C@H]3C[C@H]3C2)cc(=O)[n-]1 ZINC000403333783 970916941 /nfs/dbraw/zinc/91/69/41/970916941.db2.gz ASPIQWYTQYKLRE-LPEHRKFASA-N -1 3 219.288 2.091 20 0 BEADHM Cc1cc(C)c(N)c(Nc2cnc(C)[n-]c2=O)c1 ZINC001216098177 970936484 /nfs/dbraw/zinc/93/64/84/970936484.db2.gz KSLMOYGAFKQZHX-UHFFFAOYSA-N -1 3 244.298 2.433 20 0 BEADHM COc1ccc(Nc2ncc(F)cc2[O-])cc1N ZINC001216254897 971004534 /nfs/dbraw/zinc/00/45/34/971004534.db2.gz FXIPSSAXPDZOEA-UHFFFAOYSA-N -1 3 249.245 2.261 20 0 BEADHM Cc1c(O)cccc1Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001216319158 971030667 /nfs/dbraw/zinc/03/06/67/971030667.db2.gz PKIMOILPYKTWSS-UHFFFAOYSA-N -1 3 249.295 2.229 20 0 BEADHM CCOc1cc([N-]c2cnoc2C)no1 ZINC001210578458 1169528899 /nfs/dbraw/zinc/52/88/99/1169528899.db2.gz QHSIIIKWNCTLBV-UHFFFAOYSA-N -1 3 209.205 2.113 20 0 BEADHM O=C(c1ccccc1[O-])N1CCC(F)(F)CC1 ZINC000404789791 971181782 /nfs/dbraw/zinc/18/17/82/971181782.db2.gz DLKTWKCGEDSAHO-UHFFFAOYSA-N -1 3 241.237 2.264 20 0 BEADHM COc1cccc([O-])c1C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000405287294 971226871 /nfs/dbraw/zinc/22/68/71/971226871.db2.gz GZKYHLBCKHVZIR-AOOOYVTPSA-N -1 3 249.310 2.129 20 0 BEADHM COc1cccc([O-])c1C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000405287297 971228102 /nfs/dbraw/zinc/22/81/02/971228102.db2.gz GZKYHLBCKHVZIR-UWVGGRQHSA-N -1 3 249.310 2.129 20 0 BEADHM COc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@@H]1C ZINC000405293785 971233661 /nfs/dbraw/zinc/23/36/61/971233661.db2.gz MPSCEXDANXHRGA-VHSXEESVSA-N -1 3 249.310 2.319 20 0 BEADHM NC(=O)c1ccc(-c2cc(Cl)ccc2[O-])cn1 ZINC001245050985 971607285 /nfs/dbraw/zinc/60/72/85/971607285.db2.gz PWZJWCHGKWUCRQ-UHFFFAOYSA-N -1 3 248.669 2.207 20 0 BEADHM CC[C@H]1C[C@H](CC(=O)[N-]OC(C)C)CCO1 ZINC001330658535 974391163 /nfs/dbraw/zinc/39/11/63/974391163.db2.gz CXLVBVVDUWBFRT-MNOVXSKESA-N -1 3 229.320 2.038 20 0 BEADHM O=C(CCc1cncs1)[N-]OC1CCCC1 ZINC000814414766 971710495 /nfs/dbraw/zinc/71/04/95/971710495.db2.gz ULLNFHUEQBTCHI-UHFFFAOYSA-N -1 3 240.328 2.066 20 0 BEADHM [O-]c1ccc(-c2ccc3c(n2)NCCO3)c(F)c1 ZINC001206080225 971720048 /nfs/dbraw/zinc/72/00/48/971720048.db2.gz DKSFPAOCHLGODQ-UHFFFAOYSA-N -1 3 246.241 2.398 20 0 BEADHM CC(C)(NCc1ncc(C(=O)[O-])s1)C1CC1 ZINC000381141937 971741973 /nfs/dbraw/zinc/74/19/73/971741973.db2.gz MTZQYDAHKKHNHI-UHFFFAOYSA-N -1 3 240.328 2.120 20 0 BEADHM Cc1cncc(NCc2ncccc2[O-])c1 ZINC000309714816 971782532 /nfs/dbraw/zinc/78/25/32/971782532.db2.gz SJEPAPOTQJGJGO-UHFFFAOYSA-N -1 3 215.256 2.103 20 0 BEADHM NCc1cc(-c2ccc(C(=O)[O-])c(F)c2)ccn1 ZINC001241186237 1169711831 /nfs/dbraw/zinc/71/18/31/1169711831.db2.gz CWSTXWLKPBRRHU-UHFFFAOYSA-N -1 3 246.241 2.045 20 0 BEADHM COc1ncc(-c2cc([O-])cc(F)c2)c(C)n1 ZINC001241270843 1169715828 /nfs/dbraw/zinc/71/58/28/1169715828.db2.gz CBNXAIRAYCXWRJ-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM Cc1c(C(N)=O)cncc1-c1cc([O-])cc(F)c1 ZINC001241271679 1169715861 /nfs/dbraw/zinc/71/58/61/1169715861.db2.gz RPKGNMLJJIODFI-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM [O-]c1cc(F)cc(-c2cnc(F)cn2)c1 ZINC001241271053 1169717338 /nfs/dbraw/zinc/71/73/38/1169717338.db2.gz JONZOMVNSDEZTG-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM Cn1ccc(Nc2cc(F)c(F)cc2[O-])n1 ZINC001210353708 957733448 /nfs/dbraw/zinc/73/34/48/957733448.db2.gz OLNYXGAHJLVWJJ-UHFFFAOYSA-N -1 3 225.198 2.148 20 0 BEADHM COc1cnc(Cl)c([N-]c2cnoc2C)n1 ZINC001210577743 957802277 /nfs/dbraw/zinc/80/22/77/957802277.db2.gz AHRAFSRZLNICOF-UHFFFAOYSA-N -1 3 240.650 2.179 20 0 BEADHM Cc1nc(Nc2cc(O)ccc2F)cc(=O)[n-]1 ZINC001210797466 957898198 /nfs/dbraw/zinc/89/81/98/957898198.db2.gz BKQFAHCXGBZTOE-UHFFFAOYSA-N -1 3 235.218 2.079 20 0 BEADHM [O-]c1cc(F)c(F)cc1Nc1ccncn1 ZINC001211029954 958000025 /nfs/dbraw/zinc/00/00/25/958000025.db2.gz JSRXDOMCVQIFGL-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM C[C@H](C1CC1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087616157 958022759 /nfs/dbraw/zinc/02/27/59/958022759.db2.gz UVCXLBKDKWNGIO-QMTHXVAHSA-N -1 3 245.322 2.469 20 0 BEADHM Cc1nc(Nc2cncc(F)c2C)cc(=O)[n-]1 ZINC001216191236 958683372 /nfs/dbraw/zinc/68/33/72/958683372.db2.gz JUMKEZSVSFDYQZ-UHFFFAOYSA-N -1 3 234.234 2.077 20 0 BEADHM Cc1c(Nc2nccn2C)cccc1C(=O)[O-] ZINC001216658389 959173618 /nfs/dbraw/zinc/17/36/18/959173618.db2.gz AWBLVEFWFBMFAL-UHFFFAOYSA-N -1 3 231.255 2.170 20 0 BEADHM CCc1nc([C@H]2CCCCN2)sc1C(=O)[O-] ZINC000163324702 959232988 /nfs/dbraw/zinc/23/29/88/959232988.db2.gz SSVWBHCOJTXSMU-MRVPVSSYSA-N -1 3 240.328 2.218 20 0 BEADHM Cc1cc(Nc2cnc(C)[n-]c2=O)ccc1CO ZINC001211579063 959309335 /nfs/dbraw/zinc/30/93/35/959309335.db2.gz ZNFKSGMJMHGFFA-UHFFFAOYSA-N -1 3 245.282 2.035 20 0 BEADHM Cc1nc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc(=O)[n-]1 ZINC000694372124 959844611 /nfs/dbraw/zinc/84/46/11/959844611.db2.gz GHPPTQIKTRTNPQ-KXUCPTDWSA-N -1 3 219.288 2.091 20 0 BEADHM Cc1oc(CN[C@H]2CC2(C)C)cc1C(=O)[O-] ZINC000235974815 960542049 /nfs/dbraw/zinc/54/20/49/960542049.db2.gz XUSLTBUJPYRRFJ-JTQLQIEISA-N -1 3 223.272 2.174 20 0 BEADHM [O-]c1cc(F)cnc1Nc1cccc(CCO)c1 ZINC001203110969 961075912 /nfs/dbraw/zinc/07/59/12/961075912.db2.gz WSOUMNQRDDXAQV-UHFFFAOYSA-N -1 3 248.257 2.205 20 0 BEADHM COc1cc(C)cc(Nc2cnc[n-]c2=O)c1 ZINC001211724768 961702357 /nfs/dbraw/zinc/70/23/57/961702357.db2.gz SOQNVSVDVZEJLD-UHFFFAOYSA-N -1 3 231.255 2.243 20 0 BEADHM Cc1nsc([N-]c2cc(N)ccc2F)n1 ZINC001211818165 961962525 /nfs/dbraw/zinc/96/25/25/961962525.db2.gz BMUXUCCAHKHIGI-UHFFFAOYSA-N -1 3 224.264 2.311 20 0 BEADHM CC[C@H](C)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001168003059 963240649 /nfs/dbraw/zinc/24/06/49/963240649.db2.gz GVRFKWBKGNGQDJ-QMMMGPOBSA-N -1 3 247.302 2.086 20 0 BEADHM CC[C@H](C)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001168003059 963240656 /nfs/dbraw/zinc/24/06/56/963240656.db2.gz GVRFKWBKGNGQDJ-QMMMGPOBSA-N -1 3 247.302 2.086 20 0 BEADHM CC[C@@H](Oc1cccc([O-])c1Cl)C(=O)OC ZINC001226710001 963312834 /nfs/dbraw/zinc/31/28/34/963312834.db2.gz UGLWNJQENACUGH-MRVPVSSYSA-N -1 3 244.674 2.376 20 0 BEADHM Cc1[nH]c(CNCc2ccccc2)cc1C(=O)[O-] ZINC000309952721 963379888 /nfs/dbraw/zinc/37/98/88/963379888.db2.gz OWUBBTVATVQVST-UHFFFAOYSA-N -1 3 244.294 2.311 20 0 BEADHM COc1ccccc1[C@@H](C)Oc1ccc(=O)[n-]n1 ZINC001227094274 963453433 /nfs/dbraw/zinc/45/34/33/963453433.db2.gz DAZAOCONTFYZHC-SECBINFHSA-N -1 3 246.266 2.331 20 0 BEADHM O=C1CCC(Oc2ncc(Cl)cc2[O-])CC1 ZINC001227979954 963642358 /nfs/dbraw/zinc/64/23/58/963642358.db2.gz IQFHLEKYESQKED-UHFFFAOYSA-N -1 3 241.674 2.331 20 0 BEADHM C[C@@H]1COCC[C@@H]1Oc1ncc(Cl)cc1[O-] ZINC001227982592 963645886 /nfs/dbraw/zinc/64/58/86/963645886.db2.gz DQBLBJQGKRNGOT-XCBNKYQSSA-N -1 3 243.690 2.244 20 0 BEADHM [O-]c1ccc(Nc2ccon2)c(F)c1F ZINC001211998068 964146166 /nfs/dbraw/zinc/14/61/66/964146166.db2.gz ZFTSPAAYMPDXML-UHFFFAOYSA-N -1 3 212.155 2.402 20 0 BEADHM COc1cc(Nc2ccc([O-])c(F)c2F)no1 ZINC001212000135 964155481 /nfs/dbraw/zinc/15/54/81/964155481.db2.gz PAIZFQKRFADLAT-UHFFFAOYSA-N -1 3 242.181 2.411 20 0 BEADHM C/C=C(\C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001160321618 964283950 /nfs/dbraw/zinc/28/39/50/964283950.db2.gz VAHNSZUHCUDQPG-XBXARRHUSA-N -1 3 233.267 2.500 20 0 BEADHM CC[C@@H](COc1cccc([O-])c1F)OC ZINC001233869001 965596735 /nfs/dbraw/zinc/59/67/35/965596735.db2.gz ABJHQEQKZILWOY-QMMMGPOBSA-N -1 3 214.236 2.335 20 0 BEADHM CC[C@H](COc1cccc([O-])c1F)OC ZINC001233869000 965598922 /nfs/dbraw/zinc/59/89/22/965598922.db2.gz ABJHQEQKZILWOY-MRVPVSSYSA-N -1 3 214.236 2.335 20 0 BEADHM Cc1cccc(C)c1NCCCc1c[n-][nH]c1=O ZINC001164373752 965864628 /nfs/dbraw/zinc/86/46/28/965864628.db2.gz CBISMXSWGISHRZ-LBPRGKRZSA-N -1 3 245.326 2.227 20 0 BEADHM CCCO[N-]C(=O)CCc1cccc(C)c1 ZINC000699769288 966078357 /nfs/dbraw/zinc/07/83/57/966078357.db2.gz QBHZOVMCURSISR-UHFFFAOYSA-N -1 3 221.300 2.385 20 0 BEADHM O=C([O-])c1ccc(CN2CCC[C@@H]2CF)cc1 ZINC001204159703 966905549 /nfs/dbraw/zinc/90/55/49/966905549.db2.gz NJOOZMSNHNMAGZ-GFCCVEGCSA-N -1 3 237.274 2.319 20 0 BEADHM Fc1cc(-c2nnn[n-]2)cc(-c2cccnc2)c1 ZINC001239571270 967008115 /nfs/dbraw/zinc/00/81/15/967008115.db2.gz ZGFLZMPYXSNPLR-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1cc(-c2nn[n-]n2)cc(-c2cccnc2)c1 ZINC001239571270 967008124 /nfs/dbraw/zinc/00/81/24/967008124.db2.gz ZGFLZMPYXSNPLR-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Nc1ncccc1Nc1cc([O-])c(F)cc1F ZINC001212399339 967041750 /nfs/dbraw/zinc/04/17/50/967041750.db2.gz ABYDUFXLKCUBJF-UHFFFAOYSA-N -1 3 237.209 2.391 20 0 BEADHM Cc1nsc([N-]c2ccn3ccnc3c2)n1 ZINC001204950992 967252260 /nfs/dbraw/zinc/25/22/60/967252260.db2.gz LJBSMPBGYKEIEK-UHFFFAOYSA-N -1 3 231.284 2.238 20 0 BEADHM Cc1cc(Nc2cnc[n-]c2=O)c(C)cc1CO ZINC001250060248 967324808 /nfs/dbraw/zinc/32/48/08/967324808.db2.gz YHCDWFAXUPTTGM-UHFFFAOYSA-N -1 3 245.282 2.035 20 0 BEADHM CN(C)C(=O)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001250130728 967411754 /nfs/dbraw/zinc/41/17/54/967411754.db2.gz NLZASVATPAAEGK-UHFFFAOYSA-N -1 3 247.216 2.042 20 0 BEADHM O=C([O-])c1ccccc1CNCc1cccnc1 ZINC000010315531 967494009 /nfs/dbraw/zinc/49/40/09/967494009.db2.gz IWSPDONNWJINEG-UHFFFAOYSA-N -1 3 242.278 2.070 20 0 BEADHM [O-]C(=Cc1cnoc1)c1cccc(F)c1 ZINC001250235463 967548610 /nfs/dbraw/zinc/54/86/10/967548610.db2.gz MOFNTANDBWBDGX-UHFFFAOYSA-N -1 3 205.188 2.239 20 0 BEADHM COc1c(C)ccc(F)c1Nc1cnc[n-]c1=O ZINC001214532361 967560125 /nfs/dbraw/zinc/56/01/25/967560125.db2.gz OOQMEVCDLWBLJN-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM [O-]c1ccc(CCn2ccnc2)c(F)c1F ZINC001250318670 967693713 /nfs/dbraw/zinc/69/37/13/967693713.db2.gz JZFXKSJEXWHRFJ-UHFFFAOYSA-N -1 3 224.210 2.110 20 0 BEADHM CCOc1c(F)cccc1Nc1cnc[n-]c1=O ZINC001212535254 967852305 /nfs/dbraw/zinc/85/23/05/967852305.db2.gz MWXYJDITUIOGCC-UHFFFAOYSA-N -1 3 249.245 2.464 20 0 BEADHM Nc1cc(C2CC2)nn1-c1cccc([O-])c1F ZINC001212545871 967860690 /nfs/dbraw/zinc/86/06/90/967860690.db2.gz STHDOHKHKQLWSI-UHFFFAOYSA-N -1 3 233.246 2.177 20 0 BEADHM Nc1c2c(nn1-c1cccc([O-])c1F)CCCC2 ZINC001212547008 967863423 /nfs/dbraw/zinc/86/34/23/967863423.db2.gz CXZKQCKVXYKXOQ-UHFFFAOYSA-N -1 3 247.273 2.178 20 0 BEADHM CSc1cc(N)n(-c2cccc([O-])c2F)n1 ZINC001212548415 967867030 /nfs/dbraw/zinc/86/70/30/967867030.db2.gz MGIBPZRQKSIFRF-UHFFFAOYSA-N -1 3 239.275 2.021 20 0 BEADHM Cc1cncc(-c2ccc([O-])cc2F)n1 ZINC001206021051 967971928 /nfs/dbraw/zinc/97/19/28/967971928.db2.gz CTZGILHNPMKHDO-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Nc1cccc(-c2ccc([O-])cc2F)n1 ZINC001206021330 967975642 /nfs/dbraw/zinc/97/56/42/967975642.db2.gz KUTRTERIGWCLID-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM CN(C)c1cncc(-c2ccc([O-])cc2F)n1 ZINC001206021892 967984215 /nfs/dbraw/zinc/98/42/15/967984215.db2.gz SQSKYIFNDOHAJU-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM CCOc1cnc(-c2ccc([O-])cc2F)nc1 ZINC001206029546 967990218 /nfs/dbraw/zinc/99/02/18/967990218.db2.gz CDQNEXWKIRXXHP-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM Cc1nc2cnc(-c3ccc([O-])cc3F)nc2[nH]1 ZINC001206038004 968001954 /nfs/dbraw/zinc/00/19/54/968001954.db2.gz OVFYMIMIXLDHHJ-UHFFFAOYSA-N -1 3 244.229 2.125 20 0 BEADHM COCc1ccc(-c2ccc([O-])cc2F)nn1 ZINC001206045023 968004831 /nfs/dbraw/zinc/00/48/31/968004831.db2.gz WOXNWSVAZBZXOP-UHFFFAOYSA-N -1 3 234.230 2.135 20 0 BEADHM [O-]c1ccc(-c2cnc3nccn3c2)c(F)c1 ZINC001206057809 968025437 /nfs/dbraw/zinc/02/54/37/968025437.db2.gz PCTXYAFQCKPWND-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM NC(=O)c1cccc(-c2ccc([O-])cc2F)c1F ZINC001206064538 968027632 /nfs/dbraw/zinc/02/76/32/968027632.db2.gz GCTSVMQOTDFPGD-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM Cc1ccc(Nc2cnc(C)[n-]c2=O)c(O)c1 ZINC001206267943 968187533 /nfs/dbraw/zinc/18/75/33/968187533.db2.gz LJJBPVQBQNYAQI-UHFFFAOYSA-N -1 3 231.255 2.248 20 0 BEADHM COCc1cc(-c2ccc([O-])c(F)c2)nc(C)n1 ZINC001240783840 968681361 /nfs/dbraw/zinc/68/13/61/968681361.db2.gz YOVNICCYVVSEQA-UHFFFAOYSA-N -1 3 248.257 2.443 20 0 BEADHM CCN(C)c1cc(-c2ccc([O-])c(F)c2)ncn1 ZINC001240782398 968682058 /nfs/dbraw/zinc/68/20/58/968682058.db2.gz YXXVHZWRWGUBAF-UHFFFAOYSA-N -1 3 247.273 2.444 20 0 BEADHM Cc1cc(-c2ccc([O-])c(F)c2)cnc1C(N)=O ZINC001240790559 968690189 /nfs/dbraw/zinc/69/01/89/968690189.db2.gz OFNZAMFMXUBAOA-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM NC(=O)Cc1ccccc1-c1ccc([O-])c(F)c1 ZINC001240787378 968691934 /nfs/dbraw/zinc/69/19/34/968691934.db2.gz AYKMCTORFIKDCW-UHFFFAOYSA-N -1 3 245.253 2.226 20 0 BEADHM CCS(=O)(=O)[N-]c1csc2ncccc12 ZINC001253277963 969126861 /nfs/dbraw/zinc/12/68/61/969126861.db2.gz YIVXEWNLGQBKRW-UHFFFAOYSA-N -1 3 242.325 2.058 20 0 BEADHM CC(C)(C)[C@H](O)CNc1ccnc(Cl)c1[O-] ZINC001253719618 969344671 /nfs/dbraw/zinc/34/46/71/969344671.db2.gz AZWIDVPEHNZBDB-MRVPVSSYSA-N -1 3 244.722 2.260 20 0 BEADHM CC(C)[C@H](O)CNc1cc([O-])c(F)cc1F ZINC001253768276 969387721 /nfs/dbraw/zinc/38/77/21/969387721.db2.gz DRKPFWPLDUIROH-LLVKDONJSA-N -1 3 231.242 2.099 20 0 BEADHM CC(C)[C@@H](O)CNc1cc([O-])c(F)cc1F ZINC001253768277 969389939 /nfs/dbraw/zinc/38/99/39/969389939.db2.gz DRKPFWPLDUIROH-NSHDSACASA-N -1 3 231.242 2.099 20 0 BEADHM Clc1cccc(-c2nnc(-c3cnn[n-]3)o2)c1 ZINC001253781744 969402305 /nfs/dbraw/zinc/40/23/05/969402305.db2.gz RRAUNTGWYKFOPJ-UHFFFAOYSA-N -1 3 247.645 2.175 20 0 BEADHM Clc1cccc(-c2nnc(-c3c[n-]nn3)o2)c1 ZINC001253781744 969402312 /nfs/dbraw/zinc/40/23/12/969402312.db2.gz RRAUNTGWYKFOPJ-UHFFFAOYSA-N -1 3 247.645 2.175 20 0 BEADHM Clc1cccc(-c2nnc(-c3cn[n-]n3)o2)c1 ZINC001253781744 969402316 /nfs/dbraw/zinc/40/23/16/969402316.db2.gz RRAUNTGWYKFOPJ-UHFFFAOYSA-N -1 3 247.645 2.175 20 0 BEADHM CCCCS(=O)(=O)[N-]c1nc(C)ccc1C ZINC001253786797 969407234 /nfs/dbraw/zinc/40/72/34/969407234.db2.gz KQNXPECJNNHMGT-UHFFFAOYSA-N -1 3 242.344 2.240 20 0 BEADHM O=c1[nH]cncc1Nc1ccc(Cl)c([O-])c1 ZINC001212590346 969647396 /nfs/dbraw/zinc/64/73/96/969647396.db2.gz IANLOYGPLNWSID-UHFFFAOYSA-N -1 3 237.646 2.285 20 0 BEADHM COc1nonc1[N-]c1ccc2cnccc2c1 ZINC001210046487 969777495 /nfs/dbraw/zinc/77/74/95/969777495.db2.gz YZVKHSAYTCVEQY-UHFFFAOYSA-N -1 3 242.238 2.370 20 0 BEADHM Nc1ccc2c(cnn2-c2cccc(F)c2[O-])c1 ZINC001210197240 969829756 /nfs/dbraw/zinc/82/97/56/969829756.db2.gz JNSWRUSJSSJVEA-UHFFFAOYSA-N -1 3 243.241 2.452 20 0 BEADHM Nc1cccc2c1cnn2-c1cccc(F)c1[O-] ZINC001210198482 969829798 /nfs/dbraw/zinc/82/97/98/969829798.db2.gz UCVBSHXFNGJDBC-UHFFFAOYSA-N -1 3 243.241 2.452 20 0 BEADHM Cc1cncc(NCc2ncccc2[O-])c1C ZINC001169733351 969836543 /nfs/dbraw/zinc/83/65/43/969836543.db2.gz UTWDGZPTVWYULT-UHFFFAOYSA-N -1 3 229.283 2.411 20 0 BEADHM Cc1cc(NCc2ncccc2[O-])ccc1N ZINC001169733338 969836751 /nfs/dbraw/zinc/83/67/51/969836751.db2.gz UNAAKEZWFGSARL-UHFFFAOYSA-N -1 3 229.283 2.290 20 0 BEADHM CO[C@@H](C)CNc1ccc2c(c1)[N-]C(=S)C2 ZINC001169777559 969841848 /nfs/dbraw/zinc/84/18/48/969841848.db2.gz AFVMUVAIJJGVQV-QMMMGPOBSA-N -1 3 236.340 2.429 20 0 BEADHM NC(=O)Cc1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242351563 969899505 /nfs/dbraw/zinc/89/95/05/969899505.db2.gz ZYLTWGMBIMCZOL-UHFFFAOYSA-N -1 3 245.253 2.226 20 0 BEADHM Cc1nc(Nc2cccc([C@H](C)O)c2)cc(=O)[n-]1 ZINC001210504089 969915874 /nfs/dbraw/zinc/91/58/74/969915874.db2.gz SMGPCYYTEJMMAW-QMMMGPOBSA-N -1 3 245.282 2.288 20 0 BEADHM Cc1ncc(Nc2cccc([C@@H](C)O)c2)c(=O)[n-]1 ZINC001210508204 969919405 /nfs/dbraw/zinc/91/94/05/969919405.db2.gz KUCDVFRLOXJDRA-MRVPVSSYSA-N -1 3 245.282 2.288 20 0 BEADHM COc1cc(F)c(F)cc1[N-]c1nonc1C ZINC001210547196 969931554 /nfs/dbraw/zinc/93/15/54/969931554.db2.gz NVCWOJZHLLZQSI-UHFFFAOYSA-N -1 3 241.197 2.408 20 0 BEADHM O=c1[n-]cncc1Nc1ccccc1OC1CC1 ZINC001210839902 970052559 /nfs/dbraw/zinc/05/25/59/970052559.db2.gz RTFNMTXHTAPINX-UHFFFAOYSA-N -1 3 243.266 2.467 20 0 BEADHM Nc1cncc(Nc2cccc([O-])c2Cl)n1 ZINC001210852040 970054186 /nfs/dbraw/zinc/05/41/86/970054186.db2.gz SMBABYISWGTYQH-UHFFFAOYSA-N -1 3 236.662 2.161 20 0 BEADHM c1coc([N-]c2cnn3ccccc23)n1 ZINC001211090788 970142491 /nfs/dbraw/zinc/14/24/91/970142491.db2.gz JVHVXDNCJYLTIN-UHFFFAOYSA-N -1 3 200.201 2.066 20 0 BEADHM Cc1occc1[N-]c1noc2nccnc12 ZINC001211236991 970179850 /nfs/dbraw/zinc/17/98/50/970179850.db2.gz HDMUDAFRQIYGRE-UHFFFAOYSA-N -1 3 216.200 2.263 20 0 BEADHM C[C@H](C(=O)[O-])N1CC2(CCC2)[C@H]1c1ccco1 ZINC001609642061 970432164 /nfs/dbraw/zinc/43/21/64/970432164.db2.gz BYGUSDSPZQDZCB-MWLCHTKSSA-N -1 3 235.283 2.280 20 0 BEADHM Nc1ccc(F)cc1Nc1ncc(F)cc1[O-] ZINC001214200287 970467213 /nfs/dbraw/zinc/46/72/13/970467213.db2.gz VYRUWGGTROGMAB-UHFFFAOYSA-N -1 3 237.209 2.391 20 0 BEADHM COCOc1ccc(C)cc1[N-]c1nnc(C)o1 ZINC001214234002 970479417 /nfs/dbraw/zinc/47/94/17/970479417.db2.gz RYBPLXZXXUGTDP-UHFFFAOYSA-N -1 3 249.270 2.413 20 0 BEADHM Cc1cc(N)n(-c2c(Cl)ccc([O-])c2F)n1 ZINC001214554019 970513591 /nfs/dbraw/zinc/51/35/91/970513591.db2.gz HBUSLXAAIJAODZ-UHFFFAOYSA-N -1 3 241.653 2.261 20 0 BEADHM CC(=O)c1cc(Nc2cnc[n-]c2=O)cs1 ZINC001214778531 970537145 /nfs/dbraw/zinc/53/71/45/970537145.db2.gz XZLFYOSFNPLHRI-UHFFFAOYSA-N -1 3 235.268 2.190 20 0 BEADHM COc1ccc(O)cc1-c1ccc(=S)[n-]n1 ZINC001222615902 972606503 /nfs/dbraw/zinc/60/65/03/972606503.db2.gz DMBPXDJOKAWMNT-UHFFFAOYSA-N -1 3 234.280 2.147 20 0 BEADHM C[C@@]1(C(=O)Nc2cncc([O-])c2)C[C@@H]2C=C[C@H]1C2 ZINC001144271663 972730262 /nfs/dbraw/zinc/73/02/62/972730262.db2.gz GDIJGLSZBCZHCC-ISTVAULSSA-N -1 3 244.294 2.328 20 0 BEADHM CC/C=C/NC(=O)Cc1ccc([O-])c(F)c1 ZINC001144633194 972899569 /nfs/dbraw/zinc/89/95/69/972899569.db2.gz JNXVTOSGROZTGV-ZZXKWVIFSA-N -1 3 223.247 2.114 20 0 BEADHM CN(Cc1cc(F)c([O-])cc1F)C1CC1 ZINC001144646696 972907465 /nfs/dbraw/zinc/90/74/65/972907465.db2.gz HCFDWCFXYLHBFT-UHFFFAOYSA-N -1 3 213.227 2.265 20 0 BEADHM Cc1cc(CN2CC(C)(C(=O)[O-])C2)ccc1F ZINC000399213746 973203330 /nfs/dbraw/zinc/20/33/30/973203330.db2.gz HFNCCHXDSYMMNY-UHFFFAOYSA-N -1 3 237.274 2.041 20 0 BEADHM CN(CCCC1CC1)Cc1ccc(C(=O)[O-])cn1 ZINC000400698907 973309033 /nfs/dbraw/zinc/30/90/33/973309033.db2.gz IUNQUVXVCLODPK-UHFFFAOYSA-N -1 3 248.326 2.402 20 0 BEADHM CCc1[n-]nc(Cl)c1C(=O)NOC(C)(C)C ZINC001329182496 973548010 /nfs/dbraw/zinc/54/80/10/973548010.db2.gz GQHGCCIEVUWRQU-UHFFFAOYSA-N -1 3 245.710 2.085 20 0 BEADHM CCc1n[n-]c(Cl)c1C(=O)NOC(C)(C)C ZINC001329182496 973548018 /nfs/dbraw/zinc/54/80/18/973548018.db2.gz GQHGCCIEVUWRQU-UHFFFAOYSA-N -1 3 245.710 2.085 20 0 BEADHM CC[C@@H](C)N(CC=C(Cl)Cl)CC(=O)[O-] ZINC000403462184 973676137 /nfs/dbraw/zinc/67/61/37/973676137.db2.gz MIWPVDILKDBBNL-SSDOTTSWSA-N -1 3 240.130 2.491 20 0 BEADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccncn1 ZINC001148173253 973809379 /nfs/dbraw/zinc/80/93/79/973809379.db2.gz XEZUSDGMAQOCDW-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM CC(=O)CC(C)(C)NC(=O)c1ccc(C)cc1[O-] ZINC001148506929 973853153 /nfs/dbraw/zinc/85/31/53/973853153.db2.gz GTJQZJLWYGCKJP-UHFFFAOYSA-N -1 3 249.310 2.188 20 0 BEADHM CC/C=C/NC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148671295 973884177 /nfs/dbraw/zinc/88/41/77/973884177.db2.gz RYFIHKXCHOKVDL-QPJJXVBHSA-N -1 3 233.267 2.248 20 0 BEADHM [O-]c1coc2cc(OC[C@H]3CCC=CO3)ccc12 ZINC001225341644 974417060 /nfs/dbraw/zinc/41/70/60/974417060.db2.gz CIZCATOMGGSWDT-LLVKDONJSA-N -1 3 246.262 2.333 20 0 BEADHM CCOC[C@@H](C)Oc1ccc2c([O-])coc2c1 ZINC001225342978 974422189 /nfs/dbraw/zinc/42/21/89/974422189.db2.gz OKHNAAVWUXSEOT-SECBINFHSA-N -1 3 236.267 2.066 20 0 BEADHM Nc1ccc(C(=O)NC2CCC=CCC2)c([O-])c1 ZINC001331032836 974566258 /nfs/dbraw/zinc/56/62/58/974566258.db2.gz QUEMFUKFTQFBKH-UHFFFAOYSA-N -1 3 246.310 2.203 20 0 BEADHM CC(=O)c1ccc([O-])c(O[C@H]2CCCN(C)C2)c1 ZINC001225996972 974757290 /nfs/dbraw/zinc/75/72/90/974757290.db2.gz AEZXJQKBMVPFIK-LBPRGKRZSA-N -1 3 249.310 2.068 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@@H]1CCC[C@@H](C)C1 ZINC001226071755 974777040 /nfs/dbraw/zinc/77/70/40/974777040.db2.gz UFLPQURXCFEOMG-PSASIEDQSA-N -1 3 222.288 2.448 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@@H](C)c1cccnc1F ZINC001226074245 974777550 /nfs/dbraw/zinc/77/75/50/974777550.db2.gz AMULUWFOMWZMOH-QMMMGPOBSA-N -1 3 249.245 2.165 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001226076107 974780539 /nfs/dbraw/zinc/78/05/39/974780539.db2.gz LMESNJYVJPUSOI-OWUUHHOZSA-N -1 3 234.299 2.304 20 0 BEADHM CCC[C@H](Oc1[n-]c(=O)nnc1C)[C@@H](C)CC ZINC001226460394 974911220 /nfs/dbraw/zinc/91/12/20/974911220.db2.gz CREMKPMLVIPECU-WPRPVWTQSA-N -1 3 239.319 2.479 20 0 BEADHM CC[C@@H](C)C[C@H](CC)Oc1[n-]c(=O)nnc1C ZINC001226461923 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/nfs/dbraw/zinc/05/71/81/975057181.db2.gz LMECPNGHCJBMKO-UHFFFAOYSA-N -1 3 240.357 2.046 20 0 BEADHM Cc1cc(O[C@H](C)c2cncnc2)[n-]c(=S)n1 ZINC001226798541 975090877 /nfs/dbraw/zinc/09/08/77/975090877.db2.gz JKCFGICINQEZPZ-MRVPVSSYSA-N -1 3 248.311 2.004 20 0 BEADHM COc1cnc(=O)[n-]c1O[C@@H](C)c1ccccc1 ZINC001226823696 975104285 /nfs/dbraw/zinc/10/42/85/975104285.db2.gz VXJBEOOHIRXKBC-VIFPVBQESA-N -1 3 246.266 2.331 20 0 BEADHM C[C@H](Oc1ccnc(=S)[n-]1)c1ccncc1 ZINC001226935584 975158629 /nfs/dbraw/zinc/15/86/29/975158629.db2.gz BUACQXQIBGBXJO-QMMMGPOBSA-N -1 3 233.296 2.300 20 0 BEADHM C[C@@H](Oc1ccnc(=S)[n-]1)c1ccncc1 ZINC001226935583 975158653 /nfs/dbraw/zinc/15/86/53/975158653.db2.gz BUACQXQIBGBXJO-MRVPVSSYSA-N -1 3 233.296 2.300 20 0 BEADHM CCCC(=O)[C@H](CCC)Oc1cc(=O)[n-]cn1 ZINC001226944458 975172201 /nfs/dbraw/zinc/17/22/01/975172201.db2.gz GKHQQRXXLWIMNR-JTQLQIEISA-N -1 3 238.287 2.099 20 0 BEADHM C[C@H](Oc1cc(=O)[n-]cn1)c1cccc(F)c1 ZINC001226947807 975173662 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/nfs/dbraw/zinc/72/35/06/976723506.db2.gz VGLDOGBWJKTBEX-UHFFFAOYSA-N -1 3 245.072 2.402 20 0 BEADHM CC(C)(F)CCNCc1cc(C(=O)[O-])co1 ZINC000698207610 976883229 /nfs/dbraw/zinc/88/32/29/976883229.db2.gz JSYMJIWMRAMNON-UHFFFAOYSA-N -1 3 229.251 2.206 20 0 BEADHM Cc1nc(O[C@@H]2C[C@H]3CC[C@@H]2C3)c(C)c(=O)[n-]1 ZINC001229684803 976944438 /nfs/dbraw/zinc/94/44/38/976944438.db2.gz GXZPUWSOASFCMO-HBNTYKKESA-N -1 3 234.299 2.366 20 0 BEADHM Cc1nc(O[C@@H]2C[C@@H]3CC[C@H]2C3)c(C)c(=O)[n-]1 ZINC001229687752 976949676 /nfs/dbraw/zinc/94/96/76/976949676.db2.gz GXZPUWSOASFCMO-OUAUKWLOSA-N -1 3 234.299 2.366 20 0 BEADHM C[C@H]1CC[C@@H](Oc2ccccc2-c2nnn[n-]2)C1 ZINC001229955277 977041254 /nfs/dbraw/zinc/04/12/54/977041254.db2.gz SNEVMHLTQRDNDU-VHSXEESVSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H]1CC[C@@H](Oc2ccccc2-c2nn[n-]n2)C1 ZINC001229955277 977041263 /nfs/dbraw/zinc/04/12/63/977041263.db2.gz SNEVMHLTQRDNDU-VHSXEESVSA-N -1 3 244.298 2.434 20 0 BEADHM CCOc1ccc(Nc2cnc[n-]c2=O)cc1F ZINC001175067599 977223884 /nfs/dbraw/zinc/22/38/84/977223884.db2.gz XYBSYQUEDHEYRU-UHFFFAOYSA-N -1 3 249.245 2.464 20 0 BEADHM CC(=O)c1ccccc1Nc1cnc(C)[n-]c1=O ZINC001175176540 977322098 /nfs/dbraw/zinc/32/20/98/977322098.db2.gz FAZMXDTXDGKUGQ-UHFFFAOYSA-N -1 3 243.266 2.437 20 0 BEADHM Cn1cnc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175260870 977359016 /nfs/dbraw/zinc/35/90/16/977359016.db2.gz FMKSXAYUUUJAMA-UHFFFAOYSA-N -1 3 225.198 2.148 20 0 BEADHM COc1ncc(C)cc1Nc1ncc(F)cc1[O-] ZINC001175337259 977384684 /nfs/dbraw/zinc/38/46/84/977384684.db2.gz PDKTXEKMWACKNA-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001231074776 977466009 /nfs/dbraw/zinc/46/60/09/977466009.db2.gz SPEZHCIAQXAXAJ-MRVPVSSYSA-N -1 3 230.271 2.044 20 0 BEADHM C[C@H](Oc1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001231118413 977485183 /nfs/dbraw/zinc/48/51/83/977485183.db2.gz NESGFTBMRBFAPJ-VIFPVBQESA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H](Oc1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001231118413 977485210 /nfs/dbraw/zinc/48/52/10/977485210.db2.gz NESGFTBMRBFAPJ-VIFPVBQESA-N -1 3 244.298 2.434 20 0 BEADHM C[C@@H]1CC[C@@H](Oc2cccc(-c3nnn[n-]3)c2)C1 ZINC001231118812 977486633 /nfs/dbraw/zinc/48/66/33/977486633.db2.gz WZDGGEFJQWEDAZ-BXKDBHETSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@@H]1CC[C@@H](Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001231118812 977486648 /nfs/dbraw/zinc/48/66/48/977486648.db2.gz WZDGGEFJQWEDAZ-BXKDBHETSA-N -1 3 244.298 2.434 20 0 BEADHM CCOc1ccc(Nc2ncc(F)cc2[O-])cn1 ZINC001175739550 977675955 /nfs/dbraw/zinc/67/59/55/977675955.db2.gz FSHUJFPLTDGPSS-UHFFFAOYSA-N -1 3 249.245 2.464 20 0 BEADHM Cc1cc(=O)[n-]c(NC2CCC(F)(F)CC2)n1 ZINC001336574212 977784161 /nfs/dbraw/zinc/78/41/61/977784161.db2.gz HLFUUQYTOCBPKW-UHFFFAOYSA-N -1 3 243.257 2.480 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCCC(F)(F)CC2)n1 ZINC001336684831 977853043 /nfs/dbraw/zinc/85/30/43/977853043.db2.gz CLFLCDVMAZOQCJ-UHFFFAOYSA-N -1 3 243.257 2.116 20 0 BEADHM O=C([O-])C1CC(N[C@H]2C[C@@]2(F)c2ccccc2)C1 ZINC001594899361 977874744 /nfs/dbraw/zinc/87/47/44/977874744.db2.gz CPHPSLHMXRFWLR-BDLSDHAGSA-N -1 3 249.285 2.077 20 0 BEADHM O=C([O-])CCN1CC[C@@H]1c1ccc(F)cc1 ZINC001595055510 977932464 /nfs/dbraw/zinc/93/24/64/977932464.db2.gz MQFNNOLYFVWYIG-LLVKDONJSA-N -1 3 223.247 2.047 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)N1CC2(CCC2)C1 ZINC001595527311 978081769 /nfs/dbraw/zinc/08/17/69/978081769.db2.gz UHYGQSRNTFNZFY-UHFFFAOYSA-N -1 3 249.285 2.086 20 0 BEADHM Cn1ccnc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176591717 978122427 /nfs/dbraw/zinc/12/24/27/978122427.db2.gz OMJXFHOJCBQOPY-QPJJXVBHSA-N -1 3 243.266 2.262 20 0 BEADHM Cn1cccc1CC(=O)Nc1ccc(F)c([O-])c1 ZINC001177320129 978323683 /nfs/dbraw/zinc/32/36/83/978323683.db2.gz FWELHIHBWAWRND-UHFFFAOYSA-N -1 3 248.257 2.051 20 0 BEADHM [O-]c1c(F)ccc(CN2C[C@@H]3C[C@@H]3C2)c1F ZINC001232933899 978342096 /nfs/dbraw/zinc/34/20/96/978342096.db2.gz OFTGIYIAJUDOHY-DTORHVGOSA-N -1 3 225.238 2.122 20 0 BEADHM CCN(Cc1cc(Cl)ncc1[O-])C1CC1 ZINC001233032467 978412434 /nfs/dbraw/zinc/41/24/34/978412434.db2.gz FWKIDQJIHOSKDP-UHFFFAOYSA-N -1 3 226.707 2.425 20 0 BEADHM CN(Cc1cc(Cl)ncc1[O-])C1CC1 ZINC001233032204 978413893 /nfs/dbraw/zinc/41/38/93/978413893.db2.gz GQIUUCACMSUWFF-UHFFFAOYSA-N -1 3 212.680 2.035 20 0 BEADHM C[C@@H]1CN(Cc2cccc([O-])c2F)C[C@@H]1F ZINC001233049382 978440173 /nfs/dbraw/zinc/44/01/73/978440173.db2.gz DCUISJHBESXLJB-SCZZXKLOSA-N -1 3 227.254 2.321 20 0 BEADHM O=C1CCCN(Cc2cccc([O-])c2F)CC1 ZINC001233051948 978448416 /nfs/dbraw/zinc/44/84/16/978448416.db2.gz WRNTZMWPLMCHGV-UHFFFAOYSA-N -1 3 237.274 2.086 20 0 BEADHM C[C@@H]1CN(Cc2cccc([O-])c2F)[C@H](C)CO1 ZINC001233058033 978454864 /nfs/dbraw/zinc/45/48/64/978454864.db2.gz SAWJXWZYXHAZAO-NXEZZACHSA-N -1 3 239.290 2.141 20 0 BEADHM CCCc1nsc([N-]c2nc(C)c[nH]2)n1 ZINC001337808902 978508306 /nfs/dbraw/zinc/50/83/06/978508306.db2.gz HLNIFFYBYMGHEV-UHFFFAOYSA-N -1 3 223.305 2.266 20 0 BEADHM C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@@H]1F ZINC001233393233 978597357 /nfs/dbraw/zinc/59/73/57/978597357.db2.gz JXEHJGYTSFOAER-XCBNKYQSSA-N -1 3 245.244 2.460 20 0 BEADHM COc1ccc(CN2CC(F)C2)c(Cl)c1[O-] ZINC001233397676 978599287 /nfs/dbraw/zinc/59/92/87/978599287.db2.gz IVBPVICYRJNCTE-UHFFFAOYSA-N -1 3 245.681 2.208 20 0 BEADHM Cc1cc([O-])c(Cl)cc1OC(=O)C[C@@H](C)O ZINC001233592168 978637735 /nfs/dbraw/zinc/63/77/35/978637735.db2.gz JUBWKROIDLJIGY-SSDOTTSWSA-N -1 3 244.674 2.030 20 0 BEADHM Cc1cc([O-])c(Cl)cc1O[C@@H](C)CON ZINC001233596434 978640962 /nfs/dbraw/zinc/64/09/62/978640962.db2.gz XWJQGAYNBARGLJ-ZETCQYMHSA-N -1 3 231.679 2.012 20 0 BEADHM Cc1cc([O-])c(Cl)cc1OC[C@@H]1COCO1 ZINC001233593711 978641740 /nfs/dbraw/zinc/64/17/40/978641740.db2.gz YUSBEHJGHLEYLM-QMMMGPOBSA-N -1 3 244.674 2.106 20 0 BEADHM Cc1cc([C@H](C)N2CC[C@H]3C[C@H]32)oc1C(=O)[O-] ZINC001600149842 978670416 /nfs/dbraw/zinc/67/04/16/978670416.db2.gz KQKRITYEKLDAPJ-LPEHRKFASA-N -1 3 235.283 2.441 20 0 BEADHM [O-]c1coc2ccc(OC[C@H]3CCCCO3)cc12 ZINC001233678599 978673030 /nfs/dbraw/zinc/67/30/30/978673030.db2.gz VUEMQQKYRMZIIS-LLVKDONJSA-N -1 3 248.278 2.210 20 0 BEADHM Cc1ccccc1[C@H](NC/C=C\Cl)C(=O)[O-] ZINC001600569715 978702763 /nfs/dbraw/zinc/70/27/63/978702763.db2.gz NHNLVUBZQYWLNN-IBHLPDHGSA-N -1 3 239.702 2.463 20 0 BEADHM CC1=C[C@@H](Oc2cccc([O-])c2F)CC(=O)O1 ZINC001233868384 978716198 /nfs/dbraw/zinc/71/61/98/978716198.db2.gz RMQUHXQKYGNKLA-MRVPVSSYSA-N -1 3 238.214 2.129 20 0 BEADHM C[C@H]1OCC[C@H]1COc1cccc([O-])c1F ZINC001233867705 978718211 /nfs/dbraw/zinc/71/82/11/978718211.db2.gz IGHLTMAOVIWRDA-BDAKNGLRSA-N -1 3 226.247 2.335 20 0 BEADHM [O-]c1cccc(OC[C@H]2CCCO2)c1F ZINC001233873243 978720854 /nfs/dbraw/zinc/72/08/54/978720854.db2.gz XBNVXGVDJXYQSD-MRVPVSSYSA-N -1 3 212.220 2.089 20 0 BEADHM Cn1c(CN2CCCC3(CC3)C2)ccc1C(=O)[O-] ZINC001600914832 978742923 /nfs/dbraw/zinc/74/29/23/978742923.db2.gz OERPLQXPSUSBQC-UHFFFAOYSA-N -1 3 248.326 2.099 20 0 BEADHM C[C@H](CC(C)(C)NCc1nccs1)C(=O)[O-] ZINC001339240224 978823718 /nfs/dbraw/zinc/82/37/18/978823718.db2.gz HAKCQVOHJQIEKM-MRVPVSSYSA-N -1 3 242.344 2.122 20 0 BEADHM O=C([O-])[C@H](CF)NCc1ccccc1C1CC1 ZINC001601648655 978825117 /nfs/dbraw/zinc/82/51/17/978825117.db2.gz FKIXCWCSQQPECA-LBPRGKRZSA-N -1 3 237.274 2.076 20 0 BEADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(F)F ZINC001339335867 978837255 /nfs/dbraw/zinc/83/72/55/978837255.db2.gz YPYVCZMTOSWDNK-VIFPVBQESA-N -1 3 241.237 2.262 20 0 BEADHM CCOC[C@@H](C)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234445487 978837820 /nfs/dbraw/zinc/83/78/20/978837820.db2.gz AIVJLVMPBOMIRW-MRVPVSSYSA-N -1 3 236.271 2.072 20 0 BEADHM [O-]c1cccc2[nH]c(OC[C@H]3CCC=CO3)nc21 ZINC001234448377 978838228 /nfs/dbraw/zinc/83/82/28/978838228.db2.gz VICSEJSGQJQYCY-SECBINFHSA-N -1 3 246.266 2.340 20 0 BEADHM CC[C@H](COC)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234447545 978838677 /nfs/dbraw/zinc/83/86/77/978838677.db2.gz NVSHCEHBEYPRRK-MRVPVSSYSA-N -1 3 236.271 2.072 20 0 BEADHM Cn1cncc1Nc1cc([O-])c(F)c(F)c1F ZINC001249960401 978843104 /nfs/dbraw/zinc/84/31/04/978843104.db2.gz GELDYVJMRZBKBQ-UHFFFAOYSA-N -1 3 243.188 2.287 20 0 BEADHM CCO[C@H](C)COc1nc2ccsc2[n-]1 ZINC001234847746 978914754 /nfs/dbraw/zinc/91/47/54/978914754.db2.gz LDGBPMSGMAJALD-SSDOTTSWSA-N -1 3 226.301 2.428 20 0 BEADHM CCO[C@H](C)COc1nc2sccc2[n-]1 ZINC001234847746 978914760 /nfs/dbraw/zinc/91/47/60/978914760.db2.gz LDGBPMSGMAJALD-SSDOTTSWSA-N -1 3 226.301 2.428 20 0 BEADHM C[C@@H]1COCC[C@@H]1Oc1nc2ccsc2[n-]1 ZINC001234854329 978919774 /nfs/dbraw/zinc/91/97/74/978919774.db2.gz KMGYIVLJBHMWBS-APPZFPTMSA-N -1 3 238.312 2.428 20 0 BEADHM C[C@@H]1COCC[C@@H]1Oc1nc2sccc2[n-]1 ZINC001234854329 978919775 /nfs/dbraw/zinc/91/97/75/978919775.db2.gz KMGYIVLJBHMWBS-APPZFPTMSA-N -1 3 238.312 2.428 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2C[C@@H]3CCC[C@@H]23)n1 ZINC001339843436 978922212 /nfs/dbraw/zinc/92/22/12/978922212.db2.gz QVGQVPVRNRHCAA-IVZWLZJFSA-N -1 3 219.288 2.091 20 0 BEADHM O=c1nc(OC2CCC2)c2c([n-]1)CCCS2 ZINC001234905903 978929719 /nfs/dbraw/zinc/92/97/19/978929719.db2.gz KNEFJOMKKPOIIC-UHFFFAOYSA-N -1 3 238.312 2.152 20 0 BEADHM O=C([O-])c1cc(CN[C@@H]2CCCC[C@H]2F)c[nH]1 ZINC001602261181 979101663 /nfs/dbraw/zinc/10/16/63/979101663.db2.gz NKYMJHWCTWOMEW-NXEZZACHSA-N -1 3 240.278 2.083 20 0 BEADHM [O-]c1cc(Cl)cc(-c2nccc3n[nH]nc32)c1 ZINC001235899291 979188749 /nfs/dbraw/zinc/18/87/49/979188749.db2.gz IIKBVMDMBCYWIT-UHFFFAOYSA-N -1 3 246.657 2.379 20 0 BEADHM Nc1ccncc1-c1c(F)cc(F)c([O-])c1F ZINC001235998318 979291966 /nfs/dbraw/zinc/29/19/66/979291966.db2.gz LFRDGHUBWIBVOB-UHFFFAOYSA-N -1 3 240.184 2.284 20 0 BEADHM CCn1nc(-c2c(F)ccc(C)c2[O-])ccc1=O ZINC001236414384 979587244 /nfs/dbraw/zinc/58/72/44/979587244.db2.gz JRQPXMZCJGYYKH-UHFFFAOYSA-N -1 3 248.257 2.083 20 0 BEADHM CC1(C(=O)[O-])CN(C/C=C\c2cccc(F)c2)C1 ZINC001604503568 979668241 /nfs/dbraw/zinc/66/82/41/979668241.db2.gz YNFCBBXBUJWWNG-HYXAFXHYSA-N -1 3 249.285 2.245 20 0 BEADHM CC(=O)c1cccc([O-])c1NC(=O)CC(F)F ZINC001182965810 979683266 /nfs/dbraw/zinc/68/32/66/979683266.db2.gz AYKAZIDMVHDJRS-UHFFFAOYSA-N -1 3 243.209 2.189 20 0 BEADHM CC1=C[C@@H](C)CN(Cc2ccc(C(=O)[O-])n2C)C1 ZINC001604615176 979685384 /nfs/dbraw/zinc/68/53/84/979685384.db2.gz GWKAXBXVXJTFLC-SNVBAGLBSA-N -1 3 248.326 2.121 20 0 BEADHM [O-]c1ccc(F)c(C[C@H]2CCCO2)c1F ZINC001250102271 979730891 /nfs/dbraw/zinc/73/08/91/979730891.db2.gz GLPLZKCLIJRCHK-SSDOTTSWSA-N -1 3 214.211 2.392 20 0 BEADHM O=C1CCN(Cc2occc2[S-])CC[C@H]1F ZINC001237182080 979833901 /nfs/dbraw/zinc/83/39/01/979833901.db2.gz QLHLQSQHFLUASD-MRVPVSSYSA-N -1 3 243.303 2.071 20 0 BEADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@H]1C[C@@H]1C ZINC001605543447 979889712 /nfs/dbraw/zinc/88/97/12/979889712.db2.gz QNBCINWLRBVSLS-GZMMTYOYSA-N -1 3 244.298 2.210 20 0 BEADHM CCc1oc(CN(C)CCCF)cc1C(=O)[O-] ZINC001605889556 979926512 /nfs/dbraw/zinc/92/65/12/979926512.db2.gz SAWALWVTKGPNKE-UHFFFAOYSA-N -1 3 243.278 2.332 20 0 BEADHM Cc1cn(CC2(C)CCC2)cc1-c1nnn[n-]1 ZINC001605969536 979939662 /nfs/dbraw/zinc/93/96/62/979939662.db2.gz LATJNWQIUZCULK-UHFFFAOYSA-N -1 3 231.303 2.167 20 0 BEADHM Cc1cn(CC2(C)CCC2)cc1-c1nn[n-]n1 ZINC001605969536 979939665 /nfs/dbraw/zinc/93/96/65/979939665.db2.gz LATJNWQIUZCULK-UHFFFAOYSA-N -1 3 231.303 2.167 20 0 BEADHM COC(=O)CCCc1cccc([O-])c1F ZINC001250146408 980016251 /nfs/dbraw/zinc/01/62/51/980016251.db2.gz CXVORGOLTZFVDH-UHFFFAOYSA-N -1 3 212.220 2.027 20 0 BEADHM Cn1cc(CN2CC3(C2)CCCC3)cc1C(=O)[O-] ZINC001608111865 980160694 /nfs/dbraw/zinc/16/06/94/980160694.db2.gz DVWHABIHNRWLRK-UHFFFAOYSA-N -1 3 248.326 2.099 20 0 BEADHM CC1(C)OC[C@@H](Cc2c(F)cc([O-])cc2F)O1 ZINC001250184495 980217584 /nfs/dbraw/zinc/21/75/84/980217584.db2.gz YVTPNRQOXQKESK-MRVPVSSYSA-N -1 3 244.237 2.364 20 0 BEADHM Cc1ccc([O-])c(NC(=O)NC2CCCC2)n1 ZINC001185867315 980292507 /nfs/dbraw/zinc/29/25/07/980292507.db2.gz MAPXHUWOAAZBAG-UHFFFAOYSA-N -1 3 235.287 2.160 20 0 BEADHM CC[C@H](N[C@H](CF)c1ccc(F)cc1)C(=O)[O-] ZINC001595282102 980341400 /nfs/dbraw/zinc/34/14/00/980341400.db2.gz UXHOLHWSLQZTSZ-WDEREUQCSA-N -1 3 243.253 2.289 20 0 BEADHM Cc1cc(O)ccc1C(=O)Nc1cncc([O-])c1 ZINC001186167165 980347106 /nfs/dbraw/zinc/34/71/06/980347106.db2.gz IHNCGHBSBAWOTC-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM FC(F)(F)c1cc(-c2cnoc2)nc(=S)[n-]1 ZINC001239172362 980484235 /nfs/dbraw/zinc/48/42/35/980484235.db2.gz VAJMJCSHWBCJGO-UHFFFAOYSA-N -1 3 247.201 2.439 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC[C@H]1C[C@H](F)C1 ZINC001188660059 980678506 /nfs/dbraw/zinc/67/85/06/980678506.db2.gz UUMAGDKJJRWZQE-MGCOHNPYSA-N -1 3 237.274 2.179 20 0 BEADHM Cc1ccc(-c2cccnc2)cc1-c1nnn[n-]1 ZINC001239570992 980760690 /nfs/dbraw/zinc/76/06/90/980760690.db2.gz NHRXKOSTTZKONS-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1ccc(-c2cccnc2)cc1-c1nn[n-]n1 ZINC001239570992 980760700 /nfs/dbraw/zinc/76/07/00/980760700.db2.gz NHRXKOSTTZKONS-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccoc1 ZINC001239689947 980848137 /nfs/dbraw/zinc/84/81/37/980848137.db2.gz CMCVXPXRZKRKET-UHFFFAOYSA-N -1 3 242.238 2.135 20 0 BEADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccoc1 ZINC001239689947 980848141 /nfs/dbraw/zinc/84/81/41/980848141.db2.gz CMCVXPXRZKRKET-UHFFFAOYSA-N -1 3 242.238 2.135 20 0 BEADHM CN(C(=O)c1ccc(=O)[n-]c1Cl)C(C)(C)C ZINC001190908235 980950292 /nfs/dbraw/zinc/95/02/92/980950292.db2.gz LQOMXRTVKSENJH-UHFFFAOYSA-N -1 3 242.706 2.311 20 0 BEADHM CCc1cc([N-]C(=O)Nc2ccccn2)on1 ZINC001191301235 981010138 /nfs/dbraw/zinc/01/01/38/981010138.db2.gz APYATEAAKOWQLT-UHFFFAOYSA-N -1 3 232.243 2.276 20 0 BEADHM CN(CCC#N)Cc1c([O-])cccc1Cl ZINC000157798311 981019806 /nfs/dbraw/zinc/01/98/06/981019806.db2.gz SIQHCJIUSSYYCH-UHFFFAOYSA-N -1 3 224.691 2.391 20 0 BEADHM CC[C@H]1CCN1Cc1cc(C(=O)[O-])cs1 ZINC001595468063 981158678 /nfs/dbraw/zinc/15/86/78/981158678.db2.gz MGLSMWCJTDSLLS-VIFPVBQESA-N -1 3 225.313 2.431 20 0 BEADHM CC(F)(F)C1(C(=O)Nc2ncccc2[O-])CC1 ZINC001347751816 981161895 /nfs/dbraw/zinc/16/18/95/981161895.db2.gz NYFPEYFAYPSIBK-UHFFFAOYSA-N -1 3 242.225 2.161 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@H]2CCCCS2)n1 ZINC001348083407 981275489 /nfs/dbraw/zinc/27/54/89/981275489.db2.gz FMVLSRJDHQRMKO-SECBINFHSA-N -1 3 239.344 2.188 20 0 BEADHM Cn1cnc2ccc(-c3ccc(=S)[n-]n3)cc21 ZINC001240318322 981291075 /nfs/dbraw/zinc/29/10/75/981291075.db2.gz CQWXZYVXCSKCPU-UHFFFAOYSA-N -1 3 242.307 2.319 20 0 BEADHM Cc1cc(=O)[n-]c(N2CC(F)(F)CC[C@@H]2C)n1 ZINC001348397032 981354204 /nfs/dbraw/zinc/35/42/04/981354204.db2.gz HFRNYENZDATPNY-QMMMGPOBSA-N -1 3 243.257 2.115 20 0 BEADHM CC(C)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001240638218 981532047 /nfs/dbraw/zinc/53/20/47/981532047.db2.gz CQSBYGJGQKKWPN-UHFFFAOYSA-N -1 3 218.235 2.429 20 0 BEADHM CC(C)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001240638218 981532053 /nfs/dbraw/zinc/53/20/53/981532053.db2.gz CQSBYGJGQKKWPN-UHFFFAOYSA-N -1 3 218.235 2.429 20 0 BEADHM CC(C)n1cc(-c2cc(F)ccc2[O-])ncc1=O ZINC001240697365 981614580 /nfs/dbraw/zinc/61/45/80/981614580.db2.gz GMOHLABDZLFFGF-UHFFFAOYSA-N 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BEADHM O=C(OCC1CC=CC1)c1cccc2nn[n-]c21 ZINC001350064549 981858259 /nfs/dbraw/zinc/85/82/59/981858259.db2.gz DFNUPHXHDPTJGB-UHFFFAOYSA-N -1 3 243.266 2.081 20 0 BEADHM O=C(OCC1CC=CC1)c1cccc2[n-]nnc21 ZINC001350064549 981858262 /nfs/dbraw/zinc/85/82/62/981858262.db2.gz DFNUPHXHDPTJGB-UHFFFAOYSA-N -1 3 243.266 2.081 20 0 BEADHM O=C(OCC1CC=CC1)c1cccc2n[n-]nc21 ZINC001350064549 981858263 /nfs/dbraw/zinc/85/82/63/981858263.db2.gz DFNUPHXHDPTJGB-UHFFFAOYSA-N -1 3 243.266 2.081 20 0 BEADHM CC[C@H](C)COC(=O)NCc1ncccc1[O-] ZINC001194826228 981919865 /nfs/dbraw/zinc/91/98/65/981919865.db2.gz KBKJTWLNGZYAPC-VIFPVBQESA-N -1 3 238.287 2.060 20 0 BEADHM [O-]c1ccccc1-c1ncnc2cc[nH]c21 ZINC001241001951 982085338 /nfs/dbraw/zinc/08/53/38/982085338.db2.gz MZBAMOMTOYSCNX-UHFFFAOYSA-N -1 3 211.224 2.331 20 0 BEADHM [O-]c1ccccc1-c1ncnc2ncccc21 ZINC001241001801 982086994 /nfs/dbraw/zinc/08/69/94/982086994.db2.gz HTLZFBFHBRQGQU-UHFFFAOYSA-N -1 3 223.235 2.397 20 0 BEADHM Cn1cnc2cnc(-c3ccccc3[O-])cc21 ZINC001241003946 982093472 /nfs/dbraw/zinc/09/34/72/982093472.db2.gz YTFXLLPSESRKPT-UHFFFAOYSA-N -1 3 225.251 2.341 20 0 BEADHM COC(OC)c1nccnc1-c1ccccc1[O-] ZINC001241008452 982096555 /nfs/dbraw/zinc/09/65/55/982096555.db2.gz QHVJOTMQRKAWEH-UHFFFAOYSA-N -1 3 246.266 2.141 20 0 BEADHM [O-]c1ccccc1-c1nccn2ccnc12 ZINC001241015244 982108928 /nfs/dbraw/zinc/10/89/28/982108928.db2.gz ZHMXDILNOTWQDM-UHFFFAOYSA-N -1 3 211.224 2.102 20 0 BEADHM Cc1cc[nH]c1C(=O)Nc1ccc(F)c([O-])c1 ZINC001195493595 982292661 /nfs/dbraw/zinc/29/26/61/982292661.db2.gz KKRMKGMHWSDITA-UHFFFAOYSA-N -1 3 234.230 2.420 20 0 BEADHM CN(C)c1nccc(-c2cc([O-])cc(F)c2)n1 ZINC001241255909 982390965 /nfs/dbraw/zinc/39/09/65/982390965.db2.gz HHIJXKAQCVXAGL-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM Cc1ccnc(-c2cc([O-])cc(F)c2)c1C(N)=O ZINC001241256313 982393959 /nfs/dbraw/zinc/39/39/59/982393959.db2.gz QAHMUHRQVYMOSB-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM COc1ncnc(-c2cc([O-])cc(F)c2)c1C ZINC001241256297 982394400 /nfs/dbraw/zinc/39/44/00/982394400.db2.gz PSBAZDMPTGXXPU-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM Cc1cc(-c2cc([O-])cc(F)c2)ncn1 ZINC001241257540 982394608 /nfs/dbraw/zinc/39/46/08/982394608.db2.gz KVHOMTNHUFTAJW-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM COC(=O)c1ccnc(-c2cc([O-])cc(F)c2)c1 ZINC001241257240 982395967 /nfs/dbraw/zinc/39/59/67/982395967.db2.gz IFVPQHLWGONQMP-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM [O-]c1cc(F)cc(-c2cc3c(nn2)CCOC3)c1 ZINC001241261395 982397159 /nfs/dbraw/zinc/39/71/59/982397159.db2.gz MTPXFCYPUHRLRN-UHFFFAOYSA-N -1 3 246.241 2.061 20 0 BEADHM O=C1NCc2ccc(-c3cc([O-])cc(F)c3)cc21 ZINC001241267598 982402639 /nfs/dbraw/zinc/40/26/39/982402639.db2.gz YWOXWLXCTOPGMV-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM [O-]c1ccc(F)c(-c2ccnnc2)c1F ZINC001241292793 982436557 /nfs/dbraw/zinc/43/65/57/982436557.db2.gz HQGFPDPBEZXEOX-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM CC[C@@H](C)CNC(=S)Nc1ncccc1[O-] ZINC001200239967 982732790 /nfs/dbraw/zinc/73/27/90/982732790.db2.gz RIEGAOHJIXJQHX-MRVPVSSYSA-N -1 3 239.344 2.120 20 0 BEADHM CC(C)=CCCn1cc(C)c(-c2nnn[n-]2)c1 ZINC001589377494 982746414 /nfs/dbraw/zinc/74/64/14/982746414.db2.gz QNIFSFJEYJINBW-UHFFFAOYSA-N -1 3 231.303 2.333 20 0 BEADHM CC(C)=CCCn1cc(C)c(-c2nn[n-]n2)c1 ZINC001589377494 982746445 /nfs/dbraw/zinc/74/64/45/982746445.db2.gz QNIFSFJEYJINBW-UHFFFAOYSA-N -1 3 231.303 2.333 20 0 BEADHM CC(C)=CCCNc1ncccc1-c1nnn[n-]1 ZINC001589377464 982747933 /nfs/dbraw/zinc/74/79/33/982747933.db2.gz PNCUTCCCYCRFAB-UHFFFAOYSA-N -1 3 244.302 2.030 20 0 BEADHM CC(C)=CCCNc1ncccc1-c1nn[n-]n1 ZINC001589377464 982747965 /nfs/dbraw/zinc/74/79/65/982747965.db2.gz PNCUTCCCYCRFAB-UHFFFAOYSA-N -1 3 244.302 2.030 20 0 BEADHM C=CS(=O)(=O)[N-]c1cc(C)ccc1C(C)=O ZINC001198609752 982800089 /nfs/dbraw/zinc/80/00/89/982800089.db2.gz LJMLQQMBDZCUGL-UHFFFAOYSA-N -1 3 239.296 2.083 20 0 BEADHM CC1(C)CC(Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590083350 982895220 /nfs/dbraw/zinc/89/52/20/982895220.db2.gz FISIFRAEICPUTJ-UHFFFAOYSA-N -1 3 243.314 2.467 20 0 BEADHM CC[C@@H](C)CNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590409298 982937924 /nfs/dbraw/zinc/93/79/24/982937924.db2.gz FRHBDLRAXNDJHP-MRVPVSSYSA-N -1 3 249.293 2.464 20 0 BEADHM CC[C@@H](C)CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590409298 982937935 /nfs/dbraw/zinc/93/79/35/982937935.db2.gz FRHBDLRAXNDJHP-MRVPVSSYSA-N -1 3 249.293 2.464 20 0 BEADHM CC/C=C\CCn1cc(C)c(-c2nnn[n-]2)c1 ZINC001590534546 982954524 /nfs/dbraw/zinc/95/45/24/982954524.db2.gz SDYYHTJZUKBLGP-PLNGDYQASA-N -1 3 231.303 2.333 20 0 BEADHM CC/C=C\CCn1cc(C)c(-c2nn[n-]n2)c1 ZINC001590534546 982954533 /nfs/dbraw/zinc/95/45/33/982954533.db2.gz SDYYHTJZUKBLGP-PLNGDYQASA-N -1 3 231.303 2.333 20 0 BEADHM CCC[C@@H](CC)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001590553628 982958048 /nfs/dbraw/zinc/95/80/48/982958048.db2.gz HXNPAFBDZVPXPY-SNVBAGLBSA-N -1 3 246.318 2.252 20 0 BEADHM CCC[C@@H](CC)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001590553628 982958059 /nfs/dbraw/zinc/95/80/59/982958059.db2.gz HXNPAFBDZVPXPY-SNVBAGLBSA-N -1 3 246.318 2.252 20 0 BEADHM CCOc1c(C)cc(Cl)cc1-c1nnn[n-]1 ZINC001590822215 982993108 /nfs/dbraw/zinc/99/31/08/982993108.db2.gz AHAVEEOKYBUNMC-UHFFFAOYSA-N -1 3 238.678 2.227 20 0 BEADHM CCOc1c(C)cc(Cl)cc1-c1nn[n-]n1 ZINC001590822215 982993121 /nfs/dbraw/zinc/99/31/21/982993121.db2.gz AHAVEEOKYBUNMC-UHFFFAOYSA-N -1 3 238.678 2.227 20 0 BEADHM CC[C@@H]1C[C@H]1Cn1cc(C)c(-c2nnn[n-]2)c1 ZINC001590860127 982997464 /nfs/dbraw/zinc/99/74/64/982997464.db2.gz IWNHRTUKMZHZDS-ZJUUUORDSA-N -1 3 231.303 2.023 20 0 BEADHM CC[C@@H]1C[C@H]1Cn1cc(C)c(-c2nn[n-]n2)c1 ZINC001590860127 982997488 /nfs/dbraw/zinc/99/74/88/982997488.db2.gz IWNHRTUKMZHZDS-ZJUUUORDSA-N -1 3 231.303 2.023 20 0 BEADHM COc1ccc(-c2cc(N)ccn2)cc1C(=O)[O-] ZINC001241855585 983086537 /nfs/dbraw/zinc/08/65/37/983086537.db2.gz FSPNIWOTUANJIV-UHFFFAOYSA-N -1 3 244.250 2.038 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)cc1NCCC1CC1 ZINC001592108090 983118014 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20 0 BEADHM COC(=O)c1cncc(-c2ccc(F)cc2[O-])c1 ZINC001242218094 983414823 /nfs/dbraw/zinc/41/48/23/983414823.db2.gz RGGDREMBSYKNPC-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM COc1nccc(-c2ccc(F)cc2[O-])c1N ZINC001242217328 983416171 /nfs/dbraw/zinc/41/61/71/983416171.db2.gz AOPFUDQAYOZGNP-UHFFFAOYSA-N -1 3 234.230 2.184 20 0 BEADHM COC(=O)c1cc(-c2ccc(F)cc2[O-])ccn1 ZINC001242218020 983416213 /nfs/dbraw/zinc/41/62/13/983416213.db2.gz WUQSEZOUOVIWHY-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM Cc1cc(-c2ccc(F)cc2[O-])cn(C)c1=O ZINC001242218793 983419913 /nfs/dbraw/zinc/41/99/13/983419913.db2.gz AJWSWTZSQXWOPV-UHFFFAOYSA-N -1 3 233.242 2.205 20 0 BEADHM O=C1NCc2c1cccc2-c1cccc(F)c1[O-] ZINC001242350443 983619499 /nfs/dbraw/zinc/61/94/99/983619499.db2.gz FPUZHFRCCNTDKZ-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM CCCNC(=O)Nc1c([O-])cccc1C(C)=O ZINC001202593466 984115785 /nfs/dbraw/zinc/11/57/85/984115785.db2.gz AWHJNCUWDNYSOA-UHFFFAOYSA-N -1 3 236.271 2.126 20 0 BEADHM CNCc1cc(-c2cccc([S-])c2)ncn1 ZINC001242863796 984207676 /nfs/dbraw/zinc/20/76/76/984207676.db2.gz AEVOUZATBDPYIZ-UHFFFAOYSA-N -1 3 231.324 2.152 20 0 BEADHM Cc1cc(F)ncc1Nc1cnc(C)[n-]c1=O ZINC001212814508 984229527 /nfs/dbraw/zinc/22/95/27/984229527.db2.gz DDFIXXWMNJAUAH-UHFFFAOYSA-N -1 3 234.234 2.077 20 0 BEADHM S=C1Cc2ccc(-c3ccncn3)cc2[N-]1 ZINC001242921450 984297403 /nfs/dbraw/zinc/29/74/03/984297403.db2.gz QUTVAYXVFPBCQJ-UHFFFAOYSA-N -1 3 227.292 2.439 20 0 BEADHM [O-]c1cc(-c2ccc3c(n2)NCCO3)ccc1F ZINC001243047364 984389106 /nfs/dbraw/zinc/38/91/06/984389106.db2.gz QEQAYQYWHHYJGN-UHFFFAOYSA-N -1 3 246.241 2.398 20 0 BEADHM CC(C)n1cc(-c2ccc(F)c([O-])c2)cnc1=O ZINC001243046797 984391317 /nfs/dbraw/zinc/39/13/17/984391317.db2.gz LSZJKYLEPVFAKD-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM [O-]c1cc(-c2ncnc3c2CCC3)ccc1F ZINC001243047278 984393068 /nfs/dbraw/zinc/39/30/68/984393068.db2.gz FGBPDOIMTSVZPI-UHFFFAOYSA-N -1 3 230.242 2.477 20 0 BEADHM [O-]c1cc(-c2ccc3nc[nH]c3n2)ccc1F ZINC001243048562 984395906 /nfs/dbraw/zinc/39/59/06/984395906.db2.gz LYJCOKGMJWZWBN-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM O=C1Cc2c(nccc2-c2ccc(F)c([O-])c2)N1 ZINC001243050397 984398626 /nfs/dbraw/zinc/39/86/26/984398626.db2.gz UVGDRAAKXLHGPV-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM [O-]c1cc(-c2ccc3ncnn3c2)ccc1F ZINC001243050225 984399286 /nfs/dbraw/zinc/39/92/86/984399286.db2.gz TZTOLHZLEIPHRU-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cc1ncc(-c2ccc(F)c([O-])c2)cn1 ZINC001243050777 984415479 /nfs/dbraw/zinc/41/54/79/984415479.db2.gz XNMGHHFCAJLXEE-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Cn1cncc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001243072439 984504107 /nfs/dbraw/zinc/50/41/07/984504107.db2.gz ORTAYYHLODTFGO-UHFFFAOYSA-N -1 3 229.308 2.383 20 0 BEADHM Cc1cc(C(=O)[O-])cc(-c2cc(N)ccn2)c1 ZINC001243175331 984635298 /nfs/dbraw/zinc/63/52/98/984635298.db2.gz LJBDQENDWVVAMM-UHFFFAOYSA-N -1 3 228.251 2.337 20 0 BEADHM C/C(=C/C(=O)[O-])CN1CC[C@H]1c1ccccc1 ZINC001588948575 984665990 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236.662 2.161 20 0 BEADHM Nc1ncc(-c2ccc(Cl)cc2[O-])cn1 ZINC001244469258 986146363 /nfs/dbraw/zinc/14/63/63/986146363.db2.gz DHTWOPZECQQXGQ-UHFFFAOYSA-N -1 3 221.647 2.085 20 0 BEADHM Cc1cc(-c2cccnc2N)cc([O-])c1F ZINC001244519069 986221287 /nfs/dbraw/zinc/22/12/87/986221287.db2.gz WBWRDTXMAKYQBD-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM CCn1ncc(-c2cc(C)c(F)c([O-])c2)cc1=O ZINC001244525368 986223339 /nfs/dbraw/zinc/22/33/39/986223339.db2.gz MIWRXMUOZVOHLJ-UHFFFAOYSA-N -1 3 248.257 2.083 20 0 BEADHM CCCc1nnc(Cc2ccc([O-])c(F)c2)o1 ZINC001253933310 986452901 /nfs/dbraw/zinc/45/29/01/986452901.db2.gz MIDWUUIVCQBILX-UHFFFAOYSA-N -1 3 236.246 2.458 20 0 BEADHM CC(C)CNC(=S)Nc1ccc([O-])c(F)c1 ZINC001245240954 986760950 /nfs/dbraw/zinc/76/09/50/986760950.db2.gz DGKWSZVEXUVHIU-UHFFFAOYSA-N -1 3 242.319 2.474 20 0 BEADHM CCO/C=C\C(=O)Nc1cccc([O-])c1F ZINC001466118914 986773965 /nfs/dbraw/zinc/77/39/65/986773965.db2.gz QWRBFAYYMKNMNT-SREVYHEPSA-N -1 3 225.219 2.020 20 0 BEADHM CCc1nnc(-c2ccc(C)cc2[O-])o1 ZINC001255061690 986806651 /nfs/dbraw/zinc/80/66/51/986806651.db2.gz USYQOWWBWHIXTC-UHFFFAOYSA-N -1 3 204.229 2.313 20 0 BEADHM O=C1NCc2cc(-c3c([O-])cccc3F)ccc21 ZINC001245653080 987023609 /nfs/dbraw/zinc/02/36/09/987023609.db2.gz JMVJAYLIRFJOKX-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM Cn1cc(-c2c([O-])cccc2F)cc(F)c1=O ZINC001245654882 987032609 /nfs/dbraw/zinc/03/26/09/987032609.db2.gz MOKWKXFWRFKRHN-UHFFFAOYSA-N -1 3 237.205 2.036 20 0 BEADHM NC(=O)c1ccc(-c2c([O-])cccc2F)cc1F ZINC001245656388 987042609 /nfs/dbraw/zinc/04/26/09/987042609.db2.gz PGUIGPRGHTUOIS-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM CN1CCC(n2[n-]c(-c3ccco3)cc2=O)CC1 ZINC001245917198 987153918 /nfs/dbraw/zinc/15/39/18/987153918.db2.gz FLFWZVHEIRWCTQ-UHFFFAOYSA-N -1 3 247.298 2.115 20 0 BEADHM CC(C)CCCCC(=O)Nc1ccncc1[O-] ZINC001472506491 987231477 /nfs/dbraw/zinc/23/14/77/987231477.db2.gz YFTBXRMXBFLJNG-UHFFFAOYSA-N -1 3 236.315 2.364 20 0 BEADHM CC(C)(C)[C@H](NC/C(Cl)=C\Cl)C(=O)[O-] ZINC001589716737 987861536 /nfs/dbraw/zinc/86/15/36/987861536.db2.gz HIFSOFVXMMQQDG-PTYLAXBQSA-N -1 3 240.130 2.394 20 0 BEADHM Cc1ccc(F)c(CC(=O)[N-]OCC2CC2)c1 ZINC001324439300 988843057 /nfs/dbraw/zinc/84/30/57/988843057.db2.gz COTLHMSZFQYEGU-UHFFFAOYSA-N -1 3 237.274 2.134 20 0 BEADHM CC(=O)[C@H](C)CCCCC(=O)[N-]OC(C)C ZINC001324791729 988982313 /nfs/dbraw/zinc/98/23/13/988982313.db2.gz LCTGZMWUQJZRNL-SNVBAGLBSA-N -1 3 229.320 2.228 20 0 BEADHM COc1nonc1[N-]c1cccc(C)c1OC ZINC001248516561 989109869 /nfs/dbraw/zinc/10/98/69/989109869.db2.gz DNYPHIOTRDAGCY-UHFFFAOYSA-N -1 3 235.243 2.139 20 0 BEADHM O=C([O-])c1cc(CN2CC(C3CCCC3)C2)c[nH]1 ZINC001602257303 989110885 /nfs/dbraw/zinc/11/08/85/989110885.db2.gz RSAHQKQPPZTKFB-UHFFFAOYSA-N -1 3 248.326 2.335 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@H]2CCCSC2)n1 ZINC001515754162 989111214 /nfs/dbraw/zinc/11/12/14/989111214.db2.gz WDAQHCRWDJLGOY-SECBINFHSA-N -1 3 239.344 2.046 20 0 BEADHM Cc1cc(=O)[n-]c(NCC2(C)CC(F)(F)C2)n1 ZINC001515969182 989134796 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/nfs/dbraw/zinc/99/96/65/993999665.db2.gz AEWWUYZBKUSXGA-AWEZNQCLSA-N -1 3 249.310 2.264 20 0 BEADHM C[C@](NC/C=C\Cl)(C(=O)[O-])c1ccccc1 ZINC001593255842 994517397 /nfs/dbraw/zinc/51/73/97/994517397.db2.gz DOJKHCXRZVAHLV-VVEJJEBESA-N -1 3 239.702 2.329 20 0 BEADHM C[C@@](NC/C=C\Cl)(C(=O)[O-])c1ccccc1 ZINC001593255841 994517781 /nfs/dbraw/zinc/51/77/81/994517781.db2.gz DOJKHCXRZVAHLV-JECSTDCCSA-N -1 3 239.702 2.329 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2CCCC[C@@H]2F)n1 ZINC001336692448 995079640 /nfs/dbraw/zinc/07/96/40/995079640.db2.gz KKSCYYLLBDHQHC-DTWKUNHWSA-N -1 3 225.267 2.183 20 0 BEADHM CCc1nccc(NCc2ccc([O-])c(F)c2)n1 ZINC001306976948 995278897 /nfs/dbraw/zinc/27/88/97/995278897.db2.gz ZMYGAXODRMAVHZ-UHFFFAOYSA-N -1 3 247.273 2.496 20 0 BEADHM C[C@H](Oc1ccccc1CN(C)C1CC1)C(=O)[O-] ZINC001593644153 995957439 /nfs/dbraw/zinc/95/74/39/995957439.db2.gz DIWBAGHSZUDUJD-JTQLQIEISA-N -1 3 249.310 2.133 20 0 BEADHM CC1(NCc2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC001594060315 997832874 /nfs/dbraw/zinc/83/28/74/997832874.db2.gz NHJJWZJGDDCQJF-SNAWJCMRSA-N -1 3 221.256 2.020 20 0 BEADHM CC1=C(C)CN(Cc2ccc(C(=O)[O-])n2C)CC1 ZINC001594109652 998195988 /nfs/dbraw/zinc/19/59/88/998195988.db2.gz IHBBFESZYMYNGL-UHFFFAOYSA-N -1 3 248.326 2.265 20 0 BEADHM C1=C[C@H](CNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602746389 1170060918 /nfs/dbraw/zinc/06/09/18/1170060918.db2.gz LTKREABLEUOXAQ-JTQLQIEISA-N -1 3 241.298 2.245 20 0 BEADHM C1=C(CNc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001609022366 1170219440 /nfs/dbraw/zinc/21/94/40/1170219440.db2.gz MRPOAHLGFXFNRE-UHFFFAOYSA-N -1 3 241.298 2.389 20 0 BEADHM CC[C@@H]1C[C@H]1CNc1ccc(-c2nn[n-]n2)cc1 ZINC001609249107 1170241977 /nfs/dbraw/zinc/24/19/77/1170241977.db2.gz UBHKMAFKBTXRBQ-KOLCDFICSA-N -1 3 243.314 2.325 20 0 BEADHM Cc1c(NC[C@@H]2C[C@H]2C)cccc1-c1nnn[n-]1 ZINC001609385407 1170255236 /nfs/dbraw/zinc/25/52/36/1170255236.db2.gz BSVFOIVKJHRNPL-SCZZXKLOSA-N -1 3 243.314 2.243 20 0 BEADHM Cc1c(NC[C@@H]2C[C@H]2C)cccc1-c1nn[n-]n1 ZINC001609385407 1170255241 /nfs/dbraw/zinc/25/52/41/1170255241.db2.gz BSVFOIVKJHRNPL-SCZZXKLOSA-N -1 3 243.314 2.243 20 0 BEADHM Cc1cc(NC[C@H]2C[C@H]2C)cc(-c2nnn[n-]2)c1 ZINC001609409845 1170256560 /nfs/dbraw/zinc/25/65/60/1170256560.db2.gz YYNJKMYOOYNLCN-MWLCHTKSSA-N -1 3 243.314 2.243 20 0 BEADHM Cc1cc(NC[C@H]2C[C@H]2C)cc(-c2nn[n-]n2)c1 ZINC001609409845 1170256562 /nfs/dbraw/zinc/25/65/62/1170256562.db2.gz YYNJKMYOOYNLCN-MWLCHTKSSA-N -1 3 243.314 2.243 20 0 BEADHM CCCc1cccc(CN[C@@H](CF)C(=O)[O-])c1 ZINC001609985917 1170335747 /nfs/dbraw/zinc/33/57/47/1170335747.db2.gz POXZSXZOIZJIMX-LBPRGKRZSA-N -1 3 239.290 2.151 20 0 BEADHM CCCc1cccc(CN[C@H](CF)C(=O)[O-])c1 ZINC001609985916 1170335007 /nfs/dbraw/zinc/33/50/07/1170335007.db2.gz POXZSXZOIZJIMX-GFCCVEGCSA-N -1 3 239.290 2.151 20 0 BEADHM CCCCCC[C@H](O)CCC(=O)[N-]OCC ZINC001623802968 1170974048 /nfs/dbraw/zinc/97/40/48/1170974048.db2.gz FIMNJXHUPBXQSK-NSHDSACASA-N -1 3 231.336 2.166 20 0 BEADHM CC[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@H]1C ZINC001633403342 1171577671 /nfs/dbraw/zinc/57/76/71/1171577671.db2.gz DMWIMYBOMGTGLS-VHSXEESVSA-N -1 3 249.310 2.358 20 0 BEADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000062753269 349492310 /nfs/dbraw/zinc/49/23/10/349492310.db2.gz CTJDLRRAWAJGQL-SECBINFHSA-N -1 3 237.274 2.366 20 0 BEADHM CCC[C@@H](OC)C(=O)Nc1cccc([O-])c1F ZINC000649337320 398153276 /nfs/dbraw/zinc/15/32/76/398153276.db2.gz CAZDKGKAEGADIT-SNVBAGLBSA-N -1 3 241.262 2.285 20 0 BEADHM Cc1cc(CNCc2cc([O-])cc(F)c2)on1 ZINC000184141783 178024286 /nfs/dbraw/zinc/02/42/86/178024286.db2.gz LFLULRXLWSOOBN-UHFFFAOYSA-N -1 3 236.246 2.118 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CC=CCC2)c1 ZINC000163162746 538926248 /nfs/dbraw/zinc/92/62/48/538926248.db2.gz FVQRXDFKPBLUBZ-UHFFFAOYSA-N -1 3 217.268 2.103 20 0 BEADHM CC1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC000075236200 398219034 /nfs/dbraw/zinc/21/90/34/398219034.db2.gz MWTWAATUNBUNQC-UHFFFAOYSA-N -1 3 219.284 2.264 20 0 BEADHM Cc1cc([N-]C(=O)c2ncoc2C2CC2)no1 ZINC000292862711 178152397 /nfs/dbraw/zinc/15/23/97/178152397.db2.gz TYFLPZZKXRIRKQ-UHFFFAOYSA-N -1 3 233.227 2.101 20 0 BEADHM Cc1cc(NCCC(=O)[O-])c2ccccc2n1 ZINC000019721525 178157883 /nfs/dbraw/zinc/15/78/83/178157883.db2.gz GRPULEPXOACMOA-UHFFFAOYSA-N -1 3 230.267 2.430 20 0 BEADHM CC[C@@](C)(OC)C(=O)Nc1cccc([O-])c1F ZINC000576455135 365599668 /nfs/dbraw/zinc/59/96/68/365599668.db2.gz MSFZFHVQYUYGNE-GFCCVEGCSA-N -1 3 241.262 2.285 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H]2C)n1 ZINC000192607700 178202555 /nfs/dbraw/zinc/20/25/55/178202555.db2.gz UUSLOBOBSCHPAM-VHSXEESVSA-N -1 3 221.304 2.036 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C)CC2)n1 ZINC000177912881 178202580 /nfs/dbraw/zinc/20/25/80/178202580.db2.gz FHVYQNGRFZQTAP-LLVKDONJSA-N -1 3 235.331 2.284 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC3(CC3)CC2)n1 ZINC000370031288 178203174 /nfs/dbraw/zinc/20/31/74/178203174.db2.gz MRSABXBFITWUBS-LLVKDONJSA-N -1 3 247.342 2.428 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ncccn2)n1 ZINC000177898018 178203889 /nfs/dbraw/zinc/20/38/89/178203889.db2.gz WZCBGJKXJVUYJI-MRVPVSSYSA-N -1 3 248.311 2.134 20 0 BEADHM O=C([O-])C1(NCc2cccc(F)c2F)CCC1 ZINC000165260775 538935086 /nfs/dbraw/zinc/93/50/86/538935086.db2.gz JZLFCRLLARRGOG-UHFFFAOYSA-N -1 3 241.237 2.062 20 0 BEADHM Cc1cnc([C@@H](C)NCc2ncccc2[O-])s1 ZINC000576671120 365654138 /nfs/dbraw/zinc/65/41/38/365654138.db2.gz CGIIZNASMYEJDO-SECBINFHSA-N -1 3 249.339 2.403 20 0 BEADHM C[C@H](CC1CCC1)NC(=O)c1ccc(O)cc1[O-] ZINC000634369182 361825534 /nfs/dbraw/zinc/82/55/34/361825534.db2.gz UZOVZBANLZNNJC-SECBINFHSA-N -1 3 249.310 2.406 20 0 BEADHM Cc1ccc(C(=O)N2CCC[C@@H]2C)c([O-])c1 ZINC000037912273 178388848 /nfs/dbraw/zinc/38/88/48/178388848.db2.gz UPNKVLQASUIFJI-JTQLQIEISA-N -1 3 219.284 2.325 20 0 BEADHM Cc1ccc(C(=O)N2CCCCCO2)c([O-])c1 ZINC000336403461 178386003 /nfs/dbraw/zinc/38/60/03/178386003.db2.gz GTBRSORYWMTBCM-UHFFFAOYSA-N -1 3 235.283 2.258 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@@H](C)C2)c([O-])c1 ZINC000040725158 178394178 /nfs/dbraw/zinc/39/41/78/178394178.db2.gz KRZAEFYIZRWUEC-SNVBAGLBSA-N -1 3 219.284 2.183 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@@H]1C ZINC000179555374 538955331 /nfs/dbraw/zinc/95/53/31/538955331.db2.gz JFPBNBSXZIKDPM-DTWKUNHWSA-N -1 3 205.257 2.295 20 0 BEADHM CN(CCCC(=O)[O-])Cc1ccsc1 ZINC000035719440 538957933 /nfs/dbraw/zinc/95/79/33/538957933.db2.gz SPBDCQGNSBLIKY-UHFFFAOYSA-N -1 3 213.302 2.045 20 0 BEADHM CCO[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000042425316 538977769 /nfs/dbraw/zinc/97/77/69/538977769.db2.gz JBWCGKVHAKWHDJ-CYBMUJFWSA-N -1 3 249.310 2.033 20 0 BEADHM O=C(N[C@@H]1CCC(F)(F)C1)c1cccc([O-])c1 ZINC000379978807 538983408 /nfs/dbraw/zinc/98/34/08/538983408.db2.gz IOSYZTOJHAVIGM-SECBINFHSA-N -1 3 241.237 2.310 20 0 BEADHM CC(C)=CCNC(=O)c1ccc(C)cc1[O-] ZINC000191760434 398303769 /nfs/dbraw/zinc/30/37/69/398303769.db2.gz POIIFXFVZDDPJF-UHFFFAOYSA-N -1 3 219.284 2.397 20 0 BEADHM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1ccccc1F ZINC000092940997 398307831 /nfs/dbraw/zinc/30/78/31/398307831.db2.gz VLMLSPKJOPNSIC-GXSJLCMTSA-N -1 3 237.274 2.121 20 0 BEADHM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1ccccc1F ZINC000092941003 398307858 /nfs/dbraw/zinc/30/78/58/398307858.db2.gz VLMLSPKJOPNSIC-ONGXEEELSA-N -1 3 237.274 2.121 20 0 BEADHM CN(Cc1cc([O-])ccc1Cl)[C@H]1CCOC1 ZINC000625155705 342895764 /nfs/dbraw/zinc/89/57/64/342895764.db2.gz RMCYFEZREIOFBK-JTQLQIEISA-N -1 3 241.718 2.266 20 0 BEADHM Cc1cc(C(=O)Nc2ncccc2[O-])ccc1F ZINC000351479728 136246047 /nfs/dbraw/zinc/24/60/47/136246047.db2.gz MSMUSQHAFBVCFC-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM C[C@@]1(O)CCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625212187 342914621 /nfs/dbraw/zinc/91/46/21/342914621.db2.gz LGXQCSDBEOODNR-GFCCVEGCSA-N -1 3 241.718 2.002 20 0 BEADHM C[C@]1(O)CCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625212188 342914771 /nfs/dbraw/zinc/91/47/71/342914771.db2.gz LGXQCSDBEOODNR-LBPRGKRZSA-N -1 3 241.718 2.002 20 0 BEADHM CCN(C(=O)c1ccccc1[O-])C1CC1 ZINC000037023066 342916268 /nfs/dbraw/zinc/91/62/68/342916268.db2.gz VEFPBKSPLLPJTQ-UHFFFAOYSA-N -1 3 205.257 2.017 20 0 BEADHM Cc1cc(C(=O)Nc2ncccc2[O-])cc(C)n1 ZINC001638385085 1172014901 /nfs/dbraw/zinc/01/49/01/1172014901.db2.gz CQICMOWAAKZHSZ-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM Cc1ccc([O-])c(CNCCOC(C)(C)C)n1 ZINC000308742036 346907653 /nfs/dbraw/zinc/90/76/53/346907653.db2.gz PJGZDZPYQQJBRM-UHFFFAOYSA-N -1 3 238.331 2.000 20 0 BEADHM CCc1[n-]n(C2CCOCC2)c(=O)c1C(C)C ZINC000634602079 342997251 /nfs/dbraw/zinc/99/72/51/342997251.db2.gz GMHBAPSUHJARCC-GFCCVEGCSA-N -1 3 238.331 2.046 20 0 BEADHM CCC(CC)n1[n-]c(C)c(C2CC2)c1=O ZINC000634604818 342999275 /nfs/dbraw/zinc/99/92/75/342999275.db2.gz SMKIFIKMLKHZDH-LLVKDONJSA-N -1 3 208.305 2.419 20 0 BEADHM Cc1ccc(C)c(NC(=O)[N-]c2ncnn2C)c1 ZINC000188129505 178480490 /nfs/dbraw/zinc/48/04/90/178480490.db2.gz KBTUYEYSIWUNTH-UHFFFAOYSA-N -1 3 245.286 2.076 20 0 BEADHM CCc1[n-]n([C@H]2CCCOC2)c(=O)c1C(C)C ZINC000634623005 343023787 /nfs/dbraw/zinc/02/37/87/343023787.db2.gz VBCJATBWNMZQFT-CMPLNLGQSA-N -1 3 238.331 2.046 20 0 BEADHM O=C(Nc1ccccc1[O-])C1CC(F)(F)C1 ZINC000335909518 136262085 /nfs/dbraw/zinc/26/20/85/136262085.db2.gz PTJMBTWOMOSEQU-UHFFFAOYSA-N -1 3 227.210 2.376 20 0 BEADHM CCc1[n-]n([C@H]2CCSC2)c(=O)c1C(C)C ZINC000634628428 343035492 /nfs/dbraw/zinc/03/54/92/343035492.db2.gz XHXPPLVWAROSTA-ONGXEEELSA-N -1 3 240.372 2.372 20 0 BEADHM Cc1ccc(F)c(CN2CC[C@H](C(=O)[O-])C2)c1 ZINC000235903837 343066927 /nfs/dbraw/zinc/06/69/27/343066927.db2.gz MUYVDOUDUZRXPJ-JTQLQIEISA-N -1 3 237.274 2.041 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)/C=C/c1cncc(C)c1 ZINC000492885252 529669340 /nfs/dbraw/zinc/66/93/40/529669340.db2.gz CPXLSCVBYIMCBC-QRGHLMKCSA-N -1 3 248.326 2.497 20 0 BEADHM COc1csc(C(=O)[N-]c2nocc2C)c1 ZINC000123775380 187230854 /nfs/dbraw/zinc/23/08/54/187230854.db2.gz DVQUWJVXPLEXBH-UHFFFAOYSA-N -1 3 238.268 2.305 20 0 BEADHM Cc1c2occ([O-])c2ccc1OC[C@H]1CCCO1 ZINC000634560526 362048640 /nfs/dbraw/zinc/04/86/40/362048640.db2.gz MWMXYFMXJPSLSP-SNVBAGLBSA-N -1 3 248.278 2.128 20 0 BEADHM Cc1cc(OCC2CC2)cc2occ([O-])c21 ZINC000634561366 362049479 /nfs/dbraw/zinc/04/94/79/362049479.db2.gz YPLYGUWIRNIFBJ-UHFFFAOYSA-N -1 3 218.252 2.359 20 0 BEADHM O=C(CC1CCC1)[N-]OCc1ccccc1 ZINC000079329317 187234357 /nfs/dbraw/zinc/23/43/57/187234357.db2.gz CTKGBTRJVVRIMC-UHFFFAOYSA-N -1 3 219.284 2.425 20 0 BEADHM C[C@H]1CN(Cc2ccc(C(=O)[O-])o2)CC[C@@H]1C ZINC000130275824 343180835 /nfs/dbraw/zinc/18/08/35/343180835.db2.gz GFGSHFCUUYEMAE-UWVGGRQHSA-N -1 3 237.299 2.456 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H]2CCC2(C)C)n1 ZINC000576955071 365730887 /nfs/dbraw/zinc/73/08/87/365730887.db2.gz WOQZBWCIOZNZJR-VHSXEESVSA-N -1 3 235.331 2.330 20 0 BEADHM C[C@@H]1CCCN(c2ccncc2C(=O)[O-])CC1 ZINC000126195610 343169425 /nfs/dbraw/zinc/16/94/25/343169425.db2.gz UWNOIMQWWYLMOF-SNVBAGLBSA-N -1 3 234.299 2.406 20 0 BEADHM C[C@@H]1C[C@@H](O)CN1Cc1cc([O-])ccc1Cl ZINC000625274055 343213122 /nfs/dbraw/zinc/21/31/22/343213122.db2.gz SLICZUTZFHRXHP-LDYMZIIASA-N -1 3 241.718 2.001 20 0 BEADHM CN(CC(F)(F)F)C(=O)c1ccccc1[O-] ZINC000037501976 343347707 /nfs/dbraw/zinc/34/77/07/343347707.db2.gz RPEBEGGCJGENMJ-UHFFFAOYSA-N -1 3 233.189 2.027 20 0 BEADHM O=C(N[C@@H]1CCCC[C@H]1F)c1cccc([O-])c1 ZINC000335648794 136304718 /nfs/dbraw/zinc/30/47/18/136304718.db2.gz JMMPIUAOYHHVLU-VXGBXAGGSA-N -1 3 237.274 2.403 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@@H]1C(F)F ZINC000335652174 136305157 /nfs/dbraw/zinc/30/51/57/136305157.db2.gz SCTLLQKJIOYRDN-BQBZGAKWSA-N -1 3 245.200 2.371 20 0 BEADHM CC(C)(C)CNc1ccc2c(c1)C(=O)[N-]C2=O ZINC000041120171 343415585 /nfs/dbraw/zinc/41/55/85/343415585.db2.gz DURMRHLRYYXBDA-UHFFFAOYSA-N -1 3 232.283 2.028 20 0 BEADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1csc(=O)[n-]1 ZINC000335700957 136333840 /nfs/dbraw/zinc/33/38/40/136333840.db2.gz UUCVZJADGMDRCC-VXNVDRBHSA-N -1 3 240.328 2.109 20 0 BEADHM CC[C@@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000351500689 136368787 /nfs/dbraw/zinc/36/87/87/136368787.db2.gz VEIYOZPADRJLSI-SECBINFHSA-N -1 3 244.298 2.000 20 0 BEADHM CSCCC(=O)Nc1ccc([O-])cc1F ZINC000082879351 343469961 /nfs/dbraw/zinc/46/99/61/343469961.db2.gz BQHNDHDVLLQWHJ-UHFFFAOYSA-N -1 3 229.276 2.223 20 0 BEADHM CO[N-]C(=O)Cc1ccc(CC(C)C)cc1 ZINC000053720837 343651952 /nfs/dbraw/zinc/65/19/52/343651952.db2.gz DBXATKAXYLHANA-UHFFFAOYSA-N -1 3 221.300 2.105 20 0 BEADHM CC[C@@H](CSC)N(C)Cc1ncccc1[O-] ZINC000584224021 343777305 /nfs/dbraw/zinc/77/73/05/343777305.db2.gz CSABHIRPCSJXON-JTQLQIEISA-N -1 3 240.372 2.361 20 0 BEADHM CN(CC(C)(C)C)C(=O)/C=C\c1cncc([O-])c1 ZINC000493117991 529843700 /nfs/dbraw/zinc/84/37/00/529843700.db2.gz LIPOMSVCPFWBOU-WAYWQWQTSA-N -1 3 248.326 2.305 20 0 BEADHM COc1ccc([O-])c(C(=O)N(C)CC(C)C)c1 ZINC000055468348 187272428 /nfs/dbraw/zinc/27/24/28/187272428.db2.gz OVODWBXAVYLIRF-UHFFFAOYSA-N -1 3 237.299 2.129 20 0 BEADHM Cc1ncccc1C(=O)Nc1cccc([O-])c1F ZINC000179153464 346975110 /nfs/dbraw/zinc/97/51/10/346975110.db2.gz NBONWZONUYQEHH-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Cc1ccnc(C)c1NC(=O)[N-]OCC1CC1 ZINC000297205567 187353155 /nfs/dbraw/zinc/35/31/55/187353155.db2.gz YEZKXFJHLYVRQY-UHFFFAOYSA-N -1 3 235.287 2.162 20 0 BEADHM O=C(Nc1ncccc1[O-])c1ccc(Cl)cn1 ZINC000076989216 344050347 /nfs/dbraw/zinc/05/03/47/344050347.db2.gz NDMZKNXWFXDXKG-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000625837825 344090448 /nfs/dbraw/zinc/09/04/48/344090448.db2.gz WBTCXOVODASZTN-PHIMTYICSA-N -1 3 245.322 2.429 20 0 BEADHM COc1cccc(C(=O)NC2CC(C)(C)C2)c1[O-] ZINC000395534850 344429670 /nfs/dbraw/zinc/42/96/70/344429670.db2.gz WXFITUTVJNFGLF-UHFFFAOYSA-N -1 3 249.310 2.319 20 0 BEADHM C/C(=C/C(=O)[O-])CN(C)Cc1ccccc1 ZINC000215658104 344393694 /nfs/dbraw/zinc/39/36/94/344393694.db2.gz HYRSVVYILKKXNE-FLIBITNWSA-N -1 3 219.284 2.149 20 0 BEADHM COc1cc(C(=O)NC2CC(C)(C)C2)ccc1[O-] ZINC000620742235 344692621 /nfs/dbraw/zinc/69/26/21/344692621.db2.gz IBCRTCNPVAPWAE-UHFFFAOYSA-N -1 3 249.310 2.319 20 0 BEADHM C[C@H]1CCCC[C@H]1SCCc1nnn[n-]1 ZINC000603341479 349918916 /nfs/dbraw/zinc/91/89/16/349918916.db2.gz DJJGCUCLDWUYPZ-DTWKUNHWSA-N -1 3 226.349 2.054 20 0 BEADHM C[C@H]1CCCC[C@H]1SCCc1nn[n-]n1 ZINC000603341479 349918921 /nfs/dbraw/zinc/91/89/21/349918921.db2.gz DJJGCUCLDWUYPZ-DTWKUNHWSA-N -1 3 226.349 2.054 20 0 BEADHM O=C([O-])C1CCN(C/C=C/c2ccccc2)CC1 ZINC000015416273 344937978 /nfs/dbraw/zinc/93/79/78/344937978.db2.gz OXZAVIQTKFKSAL-QPJJXVBHSA-N -1 3 245.322 2.496 20 0 BEADHM CSC[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000124560366 187295975 /nfs/dbraw/zinc/29/59/75/187295975.db2.gz LJQVZOFJRHZLEE-SECBINFHSA-N -1 3 239.340 2.182 20 0 BEADHM Cc1cccc2c(=O)c(C(=O)NC3CC3)c[n-]c12 ZINC000154959610 345061304 /nfs/dbraw/zinc/06/13/04/345061304.db2.gz GONHBSHBBLGIQU-UHFFFAOYSA-N -1 3 242.278 2.141 20 0 BEADHM Cc1ccc(F)c(CNCCCCC(=O)[O-])c1 ZINC000635315959 345304750 /nfs/dbraw/zinc/30/47/50/345304750.db2.gz XPFOLUDWTMNQPA-UHFFFAOYSA-N -1 3 239.290 2.479 20 0 BEADHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccc[nH]2)c1 ZINC000080972444 345456932 /nfs/dbraw/zinc/45/69/32/345456932.db2.gz ZXPODCKHNGMBJN-UHFFFAOYSA-N -1 3 244.294 2.301 20 0 BEADHM C[C@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC000136183064 345485663 /nfs/dbraw/zinc/48/56/63/345485663.db2.gz BQEKVKRLCJKSQX-SECBINFHSA-N -1 3 219.284 2.168 20 0 BEADHM CCc1cccc(C(=O)N2CC(C)(F)C2)c1[O-] ZINC000684326494 488291189 /nfs/dbraw/zinc/29/11/89/488291189.db2.gz DXLNIKXRJHOVDK-UHFFFAOYSA-N -1 3 237.274 2.139 20 0 BEADHM CCCCCNC(=O)c1ccc([O-])c(OC)c1 ZINC000115100760 345676407 /nfs/dbraw/zinc/67/64/07/345676407.db2.gz NIARASFTKZDRLX-UHFFFAOYSA-N -1 3 237.299 2.321 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CC(C(F)F)C1 ZINC000626151391 345778209 /nfs/dbraw/zinc/77/82/09/345778209.db2.gz GYPJGQCZPJFBJD-UHFFFAOYSA-N -1 3 241.237 2.038 20 0 BEADHM O=C(Nc1ccc([O-])cc1Cl)[C@@H]1CCOC1 ZINC000082879766 345790605 /nfs/dbraw/zinc/79/06/05/345790605.db2.gz FFMSWRWSKUUKIK-SSDOTTSWSA-N -1 3 241.674 2.021 20 0 BEADHM O=C(Nc1ccc([O-])cc1Cl)[C@@H]1CCCO1 ZINC000082879754 345790814 /nfs/dbraw/zinc/79/08/14/345790814.db2.gz KUTDSSGNWOEHRE-JTQLQIEISA-N -1 3 241.674 2.163 20 0 BEADHM CC(=O)[N-]OCCCCc1ccccc1 ZINC000185362925 187311328 /nfs/dbraw/zinc/31/13/28/187311328.db2.gz XKHJWBWWLUOBJW-UHFFFAOYSA-N -1 3 207.273 2.077 20 0 BEADHM CC1(CNc2ccc3c(c2)C(=O)[N-]C3=O)CCC1 ZINC000340714086 537938128 /nfs/dbraw/zinc/93/81/28/537938128.db2.gz QEVWREYZNVHJIU-UHFFFAOYSA-N -1 3 244.294 2.172 20 0 BEADHM Cc1oc(CN(C)CC[C@@H](C)F)cc1C(=O)[O-] ZINC000563282808 323108266 /nfs/dbraw/zinc/10/82/66/323108266.db2.gz TUWYDYPXWBEVNM-MRVPVSSYSA-N -1 3 243.278 2.466 20 0 BEADHM Cc1cccc(C(=O)N2CCC[C@H]2C)c1[O-] ZINC000037912272 179009815 /nfs/dbraw/zinc/00/98/15/179009815.db2.gz IKBCVIXSRCMJSK-SNVBAGLBSA-N -1 3 219.284 2.325 20 0 BEADHM Cc1cccc(C(=O)N2CCC[C@@H]2CF)c1[O-] ZINC000294229651 179008153 /nfs/dbraw/zinc/00/81/53/179008153.db2.gz WSRHWNAVGAOTBK-SNVBAGLBSA-N -1 3 237.274 2.275 20 0 BEADHM Cc1cccc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)c1[O-] ZINC000174040364 179013308 /nfs/dbraw/zinc/01/33/08/179013308.db2.gz ARTLXFQSJIFZBI-TXEJJXNPSA-N -1 3 245.322 2.429 20 0 BEADHM Cc1cccc(C(=O)NCCC(C)(F)F)c1[O-] ZINC000294321697 179016089 /nfs/dbraw/zinc/01/60/89/179016089.db2.gz WRPWNTQTFRLATG-UHFFFAOYSA-N -1 3 243.253 2.476 20 0 BEADHM Cc1cccc(C(=O)NC[C@@H]2C[C@H]2C)c1[O-] ZINC000135993951 179018608 /nfs/dbraw/zinc/01/86/08/179018608.db2.gz PQDOXZOKMMSLGB-ZJUUUORDSA-N -1 3 219.284 2.086 20 0 BEADHM Cc1cccc(C(=O)NCc2ccco2)c1[O-] ZINC000019837115 179019154 /nfs/dbraw/zinc/01/91/54/179019154.db2.gz WLPLTHWMBJYZGS-UHFFFAOYSA-N -1 3 231.251 2.224 20 0 BEADHM COCC1(CC(=O)Nc2ccc(C)cc2[O-])CC1 ZINC000401304676 346573449 /nfs/dbraw/zinc/57/34/49/346573449.db2.gz BFEWPFAHRYBCIM-UHFFFAOYSA-N -1 3 249.310 2.456 20 0 BEADHM O=C(Cc1cncs1)Nc1ccccc1[O-] ZINC000187397998 346573566 /nfs/dbraw/zinc/57/35/66/346573566.db2.gz BRSVTEOMQGOKQI-UHFFFAOYSA-N -1 3 234.280 2.030 20 0 BEADHM CC[C@H](C)[C@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000187473620 346579353 /nfs/dbraw/zinc/57/93/53/346579353.db2.gz BWELHIBMGJFADD-IUCAKERBSA-N -1 3 246.314 2.122 20 0 BEADHM CC[C@H](C)[C@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000187473620 346579354 /nfs/dbraw/zinc/57/93/54/346579354.db2.gz BWELHIBMGJFADD-IUCAKERBSA-N -1 3 246.314 2.122 20 0 BEADHM CC[C@H](C)[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000187473620 346579357 /nfs/dbraw/zinc/57/93/57/346579357.db2.gz BWELHIBMGJFADD-IUCAKERBSA-N -1 3 246.314 2.122 20 0 BEADHM Cc1cccc([O-])c1NC(=O)CC1(O)CCCC1 ZINC000305757890 179160570 /nfs/dbraw/zinc/16/05/70/179160570.db2.gz FTHYDPLJGQYLOS-UHFFFAOYSA-N -1 3 249.310 2.334 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000357469139 179160607 /nfs/dbraw/zinc/16/06/07/179160607.db2.gz CQQRKBHUCQCNLV-NDMJEZRESA-N -1 3 247.294 2.064 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1O[C@@H](C)C[C@H]1C ZINC000337519072 179160647 /nfs/dbraw/zinc/16/06/47/179160647.db2.gz WUELHZOQQWTAIM-GBIKHYSHSA-N -1 3 249.310 2.453 20 0 BEADHM Cc1ccc(C(=O)NC(C)(C)C)c([O-])c1 ZINC000019837037 347359896 /nfs/dbraw/zinc/35/98/96/347359896.db2.gz CJWHZTMYCMCGQD-UHFFFAOYSA-N -1 3 207.273 2.229 20 0 BEADHM Cc1ccc(C(=O)NCC2CC2)c([O-])c1C ZINC000048606959 323154639 /nfs/dbraw/zinc/15/46/39/323154639.db2.gz DGKGVVSMEZWDOE-UHFFFAOYSA-N -1 3 219.284 2.149 20 0 BEADHM Cc1ccccc1NC([O-])=NOC(C)C ZINC000039793140 179300289 /nfs/dbraw/zinc/30/02/89/179300289.db2.gz IPFYRRGIDZRJFG-UHFFFAOYSA-N -1 3 208.261 2.457 20 0 BEADHM Cc1ccccc1NC(=O)[N-]OC(C)C ZINC000039793140 179300291 /nfs/dbraw/zinc/30/02/91/179300291.db2.gz IPFYRRGIDZRJFG-UHFFFAOYSA-N -1 3 208.261 2.457 20 0 BEADHM Cc1ccc(NC(=O)/C=C\[C@H]2CCOC2)c([O-])c1 ZINC000493691367 348018394 /nfs/dbraw/zinc/01/83/94/348018394.db2.gz PYDMOHCXECQTGJ-MZBZXASESA-N -1 3 247.294 2.232 20 0 BEADHM CCO[N-]C(=O)/C=C/c1ccc(Cl)s1 ZINC000070267950 323184535 /nfs/dbraw/zinc/18/45/35/323184535.db2.gz ULNHZIUZCNTJLG-GQCTYLIASA-N -1 3 231.704 2.482 20 0 BEADHM CCC[C@H](C(=O)[O-])N(C)Cc1cccs1 ZINC000216503114 350002302 /nfs/dbraw/zinc/00/23/02/350002302.db2.gz VTSRCWQLLWMEDO-SNVBAGLBSA-N -1 3 227.329 2.433 20 0 BEADHM CSC[C@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000599535407 349211952 /nfs/dbraw/zinc/21/19/52/349211952.db2.gz MOYLWZNIVGQWMB-VIFPVBQESA-N -1 3 239.340 2.182 20 0 BEADHM C[C@H]1CCN(Cc2ccoc2C(=O)[O-])C[C@H]1C ZINC000253078537 349225835 /nfs/dbraw/zinc/22/58/35/349225835.db2.gz TVDLWEDQNSGPRY-VHSXEESVSA-N -1 3 237.299 2.456 20 0 BEADHM C[C@H]1CCN(Cc2occc2C(=O)[O-])C[C@H]1C ZINC000253079176 349225944 /nfs/dbraw/zinc/22/59/44/349225944.db2.gz UIWRDRMLEBNSNS-VHSXEESVSA-N -1 3 237.299 2.456 20 0 BEADHM CC(C)OC(=O)c1cn[n-]c1-c1ccco1 ZINC000601706456 349328832 /nfs/dbraw/zinc/32/88/32/349328832.db2.gz VJXPPSRPACAGEN-UHFFFAOYSA-N -1 3 220.228 2.235 20 0 BEADHM CC(C)OC(=O)c1c[n-]nc1-c1ccco1 ZINC000601706456 349328834 /nfs/dbraw/zinc/32/88/34/349328834.db2.gz VJXPPSRPACAGEN-UHFFFAOYSA-N -1 3 220.228 2.235 20 0 BEADHM CCO[C@H](C(=O)[N-]c1onc(C)c1C)C1CC1 ZINC000636925476 350072414 /nfs/dbraw/zinc/07/24/14/350072414.db2.gz RAZIEXMEDUTRAV-JTQLQIEISA-N -1 3 238.287 2.045 20 0 BEADHM COC(=O)Nc1cc(Br)ccc1[O-] ZINC000006179575 350086537 /nfs/dbraw/zinc/08/65/37/350086537.db2.gz BHAYTBCQKAJFPH-UHFFFAOYSA-N -1 3 246.060 2.333 20 0 BEADHM CC[C@H]1CC[C@H](C)N1Cc1oncc1C(=O)[O-] ZINC000304629455 350158840 /nfs/dbraw/zinc/15/88/40/350158840.db2.gz QKQYEJPJHZJUGM-IUCAKERBSA-N -1 3 238.287 2.136 20 0 BEADHM COc1cccc(C(=O)N[C@@]23C[C@@H]2CCC3)c1[O-] ZINC000617201885 350344841 /nfs/dbraw/zinc/34/48/41/350344841.db2.gz IYMSHLDTBBHGJC-XPTSAGLGSA-N -1 3 247.294 2.073 20 0 BEADHM Cc1cc(C(=O)N[C@]23C[C@H]2CCC3)ccc1[O-] ZINC000617212068 350381437 /nfs/dbraw/zinc/38/14/37/350381437.db2.gz STBDKGFBQJNPBN-BXUZGUMPSA-N -1 3 231.295 2.373 20 0 BEADHM CCC[C@@H]1C[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000227616689 350504001 /nfs/dbraw/zinc/50/40/01/350504001.db2.gz WXCZMVVQMIBRCA-LDYMZIIASA-N -1 3 235.283 2.016 20 0 BEADHM CCCC[C@@H](C)C(=O)NCc1ncccc1[O-] ZINC000337559290 350595402 /nfs/dbraw/zinc/59/54/02/350595402.db2.gz LQDWOKSDLJURDC-SNVBAGLBSA-N -1 3 236.315 2.230 20 0 BEADHM Cc1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000273391488 180458482 /nfs/dbraw/zinc/45/84/82/180458482.db2.gz IJQYUVFJLCMSGI-UHFFFAOYSA-N -1 3 204.229 2.367 20 0 BEADHM Cc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000095214933 350656142 /nfs/dbraw/zinc/65/61/42/350656142.db2.gz FSGGFMSQGYMDDD-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM Cc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000095214933 350656146 /nfs/dbraw/zinc/65/61/46/350656146.db2.gz FSGGFMSQGYMDDD-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM CC/C=C\CNC(=O)c1ccc([O-])c(C)c1 ZINC000385068094 350759852 /nfs/dbraw/zinc/75/98/52/350759852.db2.gz VLMVGDOCNOSRIF-PLNGDYQASA-N -1 3 219.284 2.397 20 0 BEADHM C[C@@H](c1ccco1)N(CCC(=O)[O-])C1CC1 ZINC000083405227 351263606 /nfs/dbraw/zinc/26/36/06/351263606.db2.gz DYOOKQTYVYURGQ-VIFPVBQESA-N -1 3 223.272 2.280 20 0 BEADHM Cc1cc(F)ccc1CN(C)CCC(=O)[O-] ZINC000083410484 351266992 /nfs/dbraw/zinc/26/69/92/351266992.db2.gz WFSNFQOKFSZVMZ-UHFFFAOYSA-N -1 3 225.263 2.041 20 0 BEADHM Nc1cccc(-c2cccc([O-])c2F)n1 ZINC000725270333 538102339 /nfs/dbraw/zinc/10/23/39/538102339.db2.gz HBKPXCAGEOUKBQ-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM O=C([N-]OC/C=C/Cl)C(C1CC1)C1CC1 ZINC000291914979 187697350 /nfs/dbraw/zinc/69/73/50/187697350.db2.gz SYYMUWWGLIRJBH-LZCJLJQNSA-N -1 3 229.707 2.223 20 0 BEADHM CC1CN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000334188068 352778150 /nfs/dbraw/zinc/77/81/50/352778150.db2.gz HAYXXJQFPLESPC-UHFFFAOYSA-N -1 3 245.322 2.363 20 0 BEADHM COC1(C(=O)Nc2ccc([O-])cc2F)CCC1 ZINC000334197833 352789831 /nfs/dbraw/zinc/78/98/31/352789831.db2.gz NWWKUNOLLLAREY-UHFFFAOYSA-N -1 3 239.246 2.039 20 0 BEADHM O=C(Nc1ccccc1[O-])c1c[nH]c(C2CC2)n1 ZINC000334206148 352801228 /nfs/dbraw/zinc/80/12/28/352801228.db2.gz WASQBGDUDDLYEO-UHFFFAOYSA-N -1 3 243.266 2.245 20 0 BEADHM CC(C)(NCc1sccc1Cl)C(=O)[O-] ZINC000336675790 187993268 /nfs/dbraw/zinc/99/32/68/187993268.db2.gz BVMYVBDBDFXISF-UHFFFAOYSA-N -1 3 233.720 2.354 20 0 BEADHM [O-]C(=NOC1CCCC1)Nc1cncc(F)c1 ZINC000282096367 188032146 /nfs/dbraw/zinc/03/21/46/188032146.db2.gz YXIUMAXLVFKPDP-UHFFFAOYSA-N -1 3 239.250 2.216 20 0 BEADHM O=C([N-]OC1CCCC1)Nc1cncc(F)c1 ZINC000282096367 188032148 /nfs/dbraw/zinc/03/21/48/188032148.db2.gz YXIUMAXLVFKPDP-UHFFFAOYSA-N -1 3 239.250 2.216 20 0 BEADHM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000286762821 188034029 /nfs/dbraw/zinc/03/40/29/188034029.db2.gz PVFABCFMYUEWBV-MRVPVSSYSA-N -1 3 245.369 2.215 20 0 BEADHM CC(C)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000298138657 188040529 /nfs/dbraw/zinc/04/05/29/188040529.db2.gz PWSXNGOOZGIRHW-UHFFFAOYSA-N -1 3 244.294 2.421 20 0 BEADHM CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1ncccc1[O-] ZINC000352508045 188056497 /nfs/dbraw/zinc/05/64/97/188056497.db2.gz LNAMISBICQLGOA-IINYFYTJSA-N -1 3 248.326 2.086 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CC[C@H](C)C2)c1C ZINC000336616839 188058019 /nfs/dbraw/zinc/05/80/19/188058019.db2.gz QIVKXGPAIIQMAC-WCBMZHEXSA-N -1 3 235.331 2.077 20 0 BEADHM C[C@H]1CCCC[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000332935016 353262747 /nfs/dbraw/zinc/26/27/47/353262747.db2.gz LECFJRGHPBEQPI-JGVFFNPUSA-N -1 3 240.328 2.157 20 0 BEADHM CC1(C)CCC(C(=O)Nc2ccncc2[O-])CC1 ZINC000358334904 188240414 /nfs/dbraw/zinc/24/04/14/188240414.db2.gz HZBIUGNPAHEQDJ-UHFFFAOYSA-N -1 3 248.326 2.364 20 0 BEADHM CC(C)=CCC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000360024690 188241678 /nfs/dbraw/zinc/24/16/78/188241678.db2.gz PBILRDGZOUKECW-UHFFFAOYSA-N -1 3 243.328 2.223 20 0 BEADHM COc1ccc(NC(=O)c2ccco2)c([O-])c1 ZINC000135426200 538115453 /nfs/dbraw/zinc/11/54/53/538115453.db2.gz LXSIFIIEYNLWKJ-UHFFFAOYSA-N -1 3 233.223 2.246 20 0 BEADHM Cc1cccc(CC[N-]C(=O)C(F)(F)F)c1 ZINC000112023087 188327704 /nfs/dbraw/zinc/32/77/04/188327704.db2.gz ITTMBNIPWGUNPQ-UHFFFAOYSA-N -1 3 231.217 2.216 20 0 BEADHM CC(C)CON=C([O-])N1CCc2ccccc21 ZINC000158162212 188334024 /nfs/dbraw/zinc/33/40/24/188334024.db2.gz WLKTWUDHYBRIBL-UHFFFAOYSA-N -1 3 234.299 2.346 20 0 BEADHM CC(C)CO[N-]C(=O)N1CCc2ccccc21 ZINC000158162212 188334026 /nfs/dbraw/zinc/33/40/26/188334026.db2.gz WLKTWUDHYBRIBL-UHFFFAOYSA-N -1 3 234.299 2.346 20 0 BEADHM CC(=O)[N-]OCCCc1ccccc1Cl ZINC000182920726 188345946 /nfs/dbraw/zinc/34/59/46/188345946.db2.gz OLDSFZLCHPZNOV-UHFFFAOYSA-N -1 3 227.691 2.340 20 0 BEADHM C[C@H](c1cccnc1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421202 538116041 /nfs/dbraw/zinc/11/60/41/538116041.db2.gz NDQRDKDUUVTXHI-NEPJUHHUSA-N -1 3 248.326 2.329 20 0 BEADHM Cc1ncoc1C(=O)Nc1c(C)cccc1[O-] ZINC000334509340 353411206 /nfs/dbraw/zinc/41/12/06/353411206.db2.gz KOBDNPUEHTYVTG-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM CC(C)(CC(=O)[N-]OCc1cccnc1)C1CC1 ZINC000293422851 188391182 /nfs/dbraw/zinc/39/11/82/188391182.db2.gz QDBQVOGTXMGFRX-UHFFFAOYSA-N -1 3 248.326 2.456 20 0 BEADHM Cc1ccc([O-])c(CNc2ccn(C(C)C)n2)n1 ZINC000280226438 188383385 /nfs/dbraw/zinc/38/33/85/188383385.db2.gz GUYLSCUEFRSOIU-UHFFFAOYSA-N -1 3 246.314 2.485 20 0 BEADHM Cc1cccc(CNCc2cnc(C)[n-]c2=O)c1 ZINC000344327173 354224187 /nfs/dbraw/zinc/22/41/87/354224187.db2.gz JTJLIJZGDOCPCT-UHFFFAOYSA-N -1 3 243.310 2.089 20 0 BEADHM Cc1ccncc1C(=O)Nc1ccccc1[O-] ZINC000334674892 354417511 /nfs/dbraw/zinc/41/75/11/354417511.db2.gz DJHKNKXASCCRNL-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM O=C(C[C@H]1CCCO1)Nc1cccc([O-])c1F ZINC000179147983 366211870 /nfs/dbraw/zinc/21/18/70/366211870.db2.gz WXVINLYPROHPQK-MRVPVSSYSA-N -1 3 239.246 2.039 20 0 BEADHM CC(C)[C@@H]1C[C@H]1NC(=O)c1cccc([O-])c1 ZINC000334710085 354506122 /nfs/dbraw/zinc/50/61/22/354506122.db2.gz ZDAHNQNGBASHGG-NWDGAFQWSA-N -1 3 219.284 2.167 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@]12CCOC2 ZINC000334803666 354559519 /nfs/dbraw/zinc/55/95/19/354559519.db2.gz JJYPXBQYWAUAHC-HZMBPMFUSA-N -1 3 247.294 2.066 20 0 BEADHM CCC1([N-]S(=O)(=O)c2cc(C)cs2)CC1 ZINC000334803503 354559882 /nfs/dbraw/zinc/55/98/82/354559882.db2.gz JELOPBPUVHXSNM-UHFFFAOYSA-N -1 3 245.369 2.277 20 0 BEADHM Cc1ncc(C(=O)Nc2nc(C)ccc2[O-])s1 ZINC000345924398 354808952 /nfs/dbraw/zinc/80/89/52/354808952.db2.gz JFECBNWOLYVPKY-UHFFFAOYSA-N -1 3 249.295 2.113 20 0 BEADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1nc(C)ccc1[O-] ZINC000345922840 354827358 /nfs/dbraw/zinc/82/73/58/354827358.db2.gz GORCBMPYGYJSBR-NOZJJQNGSA-N -1 3 234.299 2.470 20 0 BEADHM Cc1ccc([O-])c(NC(=O)c2ncccc2C)n1 ZINC000345999155 354836182 /nfs/dbraw/zinc/83/61/82/354836182.db2.gz UUHYFSMJIKTTBQ-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM Cc1ccc([O-])c(NC(=O)c2cnccc2C)n1 ZINC000346001555 354837189 /nfs/dbraw/zinc/83/71/89/354837189.db2.gz WOXDONLGEBPCRB-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM C[C@@H]1CCCC[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000335145348 354854934 /nfs/dbraw/zinc/85/49/34/354854934.db2.gz AQJRXULMLXTIFO-MNOVXSKESA-N -1 3 248.326 2.230 20 0 BEADHM C[C@]1(C(=O)Nc2ccccc2[O-])C[C@@H]1F ZINC000335178367 354949532 /nfs/dbraw/zinc/94/95/32/354949532.db2.gz USUKCWOUSDJHAE-ONGXEEELSA-N -1 3 209.220 2.079 20 0 BEADHM Cc1ncoc1C(=O)Nc1cc(F)ccc1[O-] ZINC000335228615 355070708 /nfs/dbraw/zinc/07/07/08/355070708.db2.gz LNRIHOSTGRHZRN-UHFFFAOYSA-N -1 3 236.202 2.080 20 0 BEADHM C[C@@H]1CC(C)(C)CN1C(=O)c1c([O-])cccc1O ZINC000335219436 355058577 /nfs/dbraw/zinc/05/85/77/355058577.db2.gz AAJZUUUOJJQZPA-SECBINFHSA-N -1 3 249.310 2.358 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C2)o1 ZINC000335223415 355064157 /nfs/dbraw/zinc/06/41/57/355064157.db2.gz AVAUPSPVJRWHTA-WCBMZHEXSA-N -1 3 243.328 2.055 20 0 BEADHM CSC[C@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000124555332 324618173 /nfs/dbraw/zinc/61/81/73/324618173.db2.gz CKCADBNRASADFE-VIFPVBQESA-N -1 3 239.340 2.182 20 0 BEADHM COc1ccc([O-])c(C(=O)N(C)[C@H]2CC2(C)C)c1 ZINC000335779902 355407034 /nfs/dbraw/zinc/40/70/34/355407034.db2.gz SNEJPWJLLCQCJM-LBPRGKRZSA-N -1 3 249.310 2.271 20 0 BEADHM CC1(C)CC[C@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000335822082 355541566 /nfs/dbraw/zinc/54/15/66/355541566.db2.gz HZYRMGAXAJJSQC-VIFPVBQESA-N -1 3 243.328 2.137 20 0 BEADHM CC[C@@H](C)CN(CC)C(=O)c1csc(=O)[n-]1 ZINC000350123368 355608699 /nfs/dbraw/zinc/60/86/99/355608699.db2.gz JNUUNAKXLQCPGJ-MRVPVSSYSA-N -1 3 242.344 2.357 20 0 BEADHM COCCN(Cc1cc([O-])cc(F)c1)C1CC1 ZINC000351895586 356165015 /nfs/dbraw/zinc/16/50/15/356165015.db2.gz UNSJPCNHSDLROG-UHFFFAOYSA-N -1 3 239.290 2.142 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CC[C@@](C)(F)C2)c1 ZINC000336156113 134106115 /nfs/dbraw/zinc/10/61/15/134106115.db2.gz JULFQQXPMOLIEV-CYBMUJFWSA-N -1 3 237.274 2.275 20 0 BEADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccco2)n1 ZINC000628374268 356455329 /nfs/dbraw/zinc/45/53/29/356455329.db2.gz AURJASDOKGBAOL-UHFFFAOYSA-N -1 3 247.298 2.109 20 0 BEADHM CCc1ccc(C(=O)N2CC[C@@H](C)C2)c([O-])c1 ZINC000336157513 134106899 /nfs/dbraw/zinc/10/68/99/134106899.db2.gz AVIMPOCXUNJPQH-SNVBAGLBSA-N -1 3 233.311 2.437 20 0 BEADHM Cc1cc(C(=O)[N-]c2ncccc2Cl)on1 ZINC000179664679 366282075 /nfs/dbraw/zinc/28/20/75/366282075.db2.gz RNCPUMHJGAOEFB-UHFFFAOYSA-N -1 3 237.646 2.284 20 0 BEADHM CC(=O)c1[n-]c(=NCc2cccnc2)sc1C ZINC000450208643 202096298 /nfs/dbraw/zinc/09/62/98/202096298.db2.gz OMQURUZXSQCILR-UHFFFAOYSA-N -1 3 247.323 2.083 20 0 BEADHM CC[C@H](NC(=O)c1ccc(OC)cc1[O-])C1CC1 ZINC000323865297 356660728 /nfs/dbraw/zinc/66/07/28/356660728.db2.gz PXYZRXJLSBFNEN-LBPRGKRZSA-N -1 3 249.310 2.319 20 0 BEADHM Cc1cccc(C(=O)N[C@@H](C)C(C)(F)F)c1[O-] ZINC000389519663 356903009 /nfs/dbraw/zinc/90/30/09/356903009.db2.gz ARDYLGHJBZMVBR-QMMMGPOBSA-N -1 3 243.253 2.474 20 0 BEADHM C[C@H]1CC[C@H](C(=O)[O-])CN1CCC(F)(F)F ZINC000397111230 357505842 /nfs/dbraw/zinc/50/58/42/357505842.db2.gz RRDVSLXVCWIXDE-YUMQZZPRSA-N -1 3 239.237 2.124 20 0 BEADHM O=C(NCc1ccsc1)c1cccc([O-])c1 ZINC000063147089 357535127 /nfs/dbraw/zinc/53/51/27/357535127.db2.gz LBCDIQLYWSYHSY-UHFFFAOYSA-N -1 3 233.292 2.384 20 0 BEADHM CCO[C@H](C(=O)Nc1ccc(C)cc1[O-])C1CC1 ZINC000623416392 357827314 /nfs/dbraw/zinc/82/73/14/357827314.db2.gz TXVRHVCJQHOSSY-ZDUSSCGKSA-N -1 3 249.310 2.454 20 0 BEADHM O=C(NC1CCCCC1)c1ccc(O)cc1[O-] ZINC000192478193 357836159 /nfs/dbraw/zinc/83/61/59/357836159.db2.gz CXWSMEXLEJKERF-UHFFFAOYSA-N -1 3 235.283 2.160 20 0 BEADHM C[C@@H]1CC[C@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000235322018 357865390 /nfs/dbraw/zinc/86/53/90/357865390.db2.gz DPVZLKJCTRIMMH-BDAKNGLRSA-N -1 3 235.283 2.016 20 0 BEADHM CCc1ccc([C@H]2CCCN2CCC(=O)[O-])o1 ZINC000584685264 358151463 /nfs/dbraw/zinc/15/14/63/358151463.db2.gz QMCDSVBIXQJPGJ-LLVKDONJSA-N -1 3 237.299 2.454 20 0 BEADHM CC(C)C[C@H](C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351371601 358189171 /nfs/dbraw/zinc/18/91/71/358189171.db2.gz NVJYRCIZQINBBF-QMMMGPOBSA-N -1 3 248.286 2.382 20 0 BEADHM [O-]c1cccnc1CN1CCc2sccc2C1 ZINC000584865470 358207173 /nfs/dbraw/zinc/20/71/73/358207173.db2.gz AIERDMOFTZGQQK-UHFFFAOYSA-N -1 3 246.335 2.407 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)S[C@H](C)CCO)n1 ZINC000610863235 358213955 /nfs/dbraw/zinc/21/39/55/358213955.db2.gz SJIKDYIKHHEQEC-RKDXNWHRSA-N -1 3 242.344 2.056 20 0 BEADHM Cc1oc(CN2CC[C@@H](C)C2)cc1C(=O)[O-] ZINC000040718703 358245513 /nfs/dbraw/zinc/24/55/13/358245513.db2.gz IZRDTGPSRXLFGI-MRVPVSSYSA-N -1 3 223.272 2.128 20 0 BEADHM CCn1c(=O)[n-]nc1SCCC(C)(F)F ZINC000450712052 202242075 /nfs/dbraw/zinc/24/20/75/202242075.db2.gz VOFKIGDIYZZYIJ-UHFFFAOYSA-N -1 3 237.275 2.141 20 0 BEADHM O=c1cc(-c2noc([C@@H]3CC=CCC3)n2)nc[n-]1 ZINC000351372521 366518115 /nfs/dbraw/zinc/51/81/15/366518115.db2.gz PIQQTFUUISBRMR-MRVPVSSYSA-N -1 3 244.254 2.056 20 0 BEADHM C[C@@H](c1nc(-c2cc(=O)[n-]cn2)no1)C(C)(C)C ZINC000351376250 366519696 /nfs/dbraw/zinc/51/96/96/366519696.db2.gz SULVUQOAYYVUBQ-ZETCQYMHSA-N -1 3 248.286 2.382 20 0 BEADHM CC[C@]1(C)C[C@H]1c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351375280 366520023 /nfs/dbraw/zinc/52/00/23/366520023.db2.gz RYDOFMJFTAYGFN-JVXZTZIISA-N -1 3 246.270 2.136 20 0 BEADHM CC[C@H]1CCC[C@H]1NC(=O)Cc1cncc([O-])c1 ZINC000578337957 366528367 /nfs/dbraw/zinc/52/83/67/366528367.db2.gz XMZJBNIWYTXVBW-WCQYABFASA-N -1 3 248.326 2.025 20 0 BEADHM C[C@H]1CCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000070835350 359064537 /nfs/dbraw/zinc/06/45/37/359064537.db2.gz QNYNNIGWYBKMIJ-JOYOIKCWSA-N -1 3 219.284 2.311 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H](C)C2)n1 ZINC000247737546 359243275 /nfs/dbraw/zinc/24/32/75/359243275.db2.gz VRPXKROZAPNDBK-KOLCDFICSA-N -1 3 235.331 2.284 20 0 BEADHM CC[C@H](N=c1ncnc2[nH][n-]cc1-2)C1CCCC1 ZINC000450884683 202296726 /nfs/dbraw/zinc/29/67/26/202296726.db2.gz SNZKPKGGXXMHFF-NSHDSACASA-N -1 3 245.330 2.107 20 0 BEADHM Cc1csc(S(=O)(=O)[N-]CCC(C)C)c1 ZINC000450963005 202319631 /nfs/dbraw/zinc/31/96/31/202319631.db2.gz CMAISNKHERBFKW-UHFFFAOYSA-N -1 3 247.385 2.381 20 0 BEADHM O=C(C[C@H]1CCCO1)Nc1ccc([O-])cc1F ZINC000087217539 359902833 /nfs/dbraw/zinc/90/28/33/359902833.db2.gz MTPFBXRJAMPRIJ-SECBINFHSA-N -1 3 239.246 2.039 20 0 BEADHM CC(C)C[C@@H]1C[C@H]1C(=O)NCc1ncccc1[O-] ZINC000451338343 202403804 /nfs/dbraw/zinc/40/38/04/202403804.db2.gz HHSVGELHHDWVSE-GHMZBOCLSA-N -1 3 248.326 2.086 20 0 BEADHM Cc1ccc([O-])c(CNc2cccc(CO)c2)n1 ZINC000091993991 360144313 /nfs/dbraw/zinc/14/43/13/360144313.db2.gz RLXXWOGNKOVTDF-UHFFFAOYSA-N -1 3 244.294 2.200 20 0 BEADHM COC[C@H](C)CC(=O)Nc1ccc([O-])cc1F ZINC000095036238 360332435 /nfs/dbraw/zinc/33/24/35/360332435.db2.gz KTUAAZPKTVTUAR-MRVPVSSYSA-N -1 3 241.262 2.142 20 0 BEADHM CC(F)(F)CCC(=O)Nc1ncccc1[O-] ZINC000613182108 360489954 /nfs/dbraw/zinc/48/99/54/360489954.db2.gz UUCCFVDYUMSTCO-UHFFFAOYSA-N -1 3 230.214 2.161 20 0 BEADHM CCC(F)(F)CNC(=O)c1cccc([O-])c1 ZINC000628847483 360699369 /nfs/dbraw/zinc/69/93/69/360699369.db2.gz YZWBAEGBMBYQRB-UHFFFAOYSA-N -1 3 229.226 2.167 20 0 BEADHM C/C=C\CNC(=O)c1cc(CC)ccc1[O-] ZINC000629034405 360820402 /nfs/dbraw/zinc/82/04/02/360820402.db2.gz JRPNHRKRPVZWDE-HYXAFXHYSA-N -1 3 219.284 2.261 20 0 BEADHM C/C=C/CNC(=O)c1cc(CC)ccc1[O-] ZINC000629034402 360820626 /nfs/dbraw/zinc/82/06/26/360820626.db2.gz JRPNHRKRPVZWDE-HWKANZROSA-N -1 3 219.284 2.261 20 0 BEADHM Cc1ccc(CN2CC3CC2(C(=O)[O-])C3)cc1F ZINC000629365466 361020267 /nfs/dbraw/zinc/02/02/67/361020267.db2.gz WVSBMJNAADXJET-UHFFFAOYSA-N -1 3 249.285 2.183 20 0 BEADHM C[C@H]1C[C@H]1COc1ccc2c([O-])coc2c1 ZINC000629375080 361025344 /nfs/dbraw/zinc/02/53/44/361025344.db2.gz BMDAUSBXUMKVJG-IUCAKERBSA-N -1 3 218.252 2.297 20 0 BEADHM O=C(CCC1CC1)Nc1cccc2n[n-]nc21 ZINC000640380157 361190163 /nfs/dbraw/zinc/19/01/63/361190163.db2.gz OPRUWJYVENFFRP-UHFFFAOYSA-N -1 3 230.271 2.087 20 0 BEADHM CC1(C)CC[C@H]1C(=O)Nc1cccc2n[n-]nc21 ZINC000640379113 361191094 /nfs/dbraw/zinc/19/10/94/361191094.db2.gz JPAMGMBITWKUSO-QMMMGPOBSA-N -1 3 244.298 2.333 20 0 BEADHM O=c1[n-]n(CC2CCCC2)c(=O)c2ccccc21 ZINC000614188378 363749935 /nfs/dbraw/zinc/74/99/35/363749935.db2.gz AOOKRRQFMYZHCK-UHFFFAOYSA-N -1 3 244.294 2.292 20 0 BEADHM CCN(CC(C)(C)C)C(=O)c1csc(=O)[n-]1 ZINC000428674073 201034325 /nfs/dbraw/zinc/03/43/25/201034325.db2.gz 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3 249.310 2.415 20 0 BEADHM CSc1ccc([O-])c(C(=O)N[C@H](C)CF)c1 ZINC000614886664 364033232 /nfs/dbraw/zinc/03/32/32/364033232.db2.gz SEJYDTVZHZRLEM-SSDOTTSWSA-N -1 3 243.303 2.202 20 0 BEADHM CCO[N-]C(=O)/C=C/c1ccccc1OCC ZINC000070273464 364056611 /nfs/dbraw/zinc/05/66/11/364056611.db2.gz CQTRWSKPSWNTOV-MDZDMXLPSA-N -1 3 235.283 2.166 20 0 BEADHM C[C@H]1CC[C@@H](c2nc3ccc([O-])cc3c(=O)[nH]2)O1 ZINC000630386062 364100142 /nfs/dbraw/zinc/10/01/42/364100142.db2.gz SVAFIPIYDOGTTP-CPCISQLKSA-N -1 3 246.266 2.281 20 0 BEADHM Cc1ccc(C(=O)N2C3CCC2CC3)c([O-])c1 ZINC000398957719 364279862 /nfs/dbraw/zinc/27/98/62/364279862.db2.gz QLSNUILOJQOLLK-UHFFFAOYSA-N -1 3 231.295 2.468 20 0 BEADHM CCc1cc(=O)[n-]c(CN[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000573542137 364856654 /nfs/dbraw/zinc/85/66/54/364856654.db2.gz WDPYJVYABOLPQU-USWWRNFRSA-N -1 3 247.342 2.023 20 0 BEADHM CC[C@H](C(=O)[O-])N1CCOc2ccc(C)cc2C1 ZINC000573626230 364880056 /nfs/dbraw/zinc/88/00/56/364880056.db2.gz TYIZOHNIHTYPNE-GFCCVEGCSA-N -1 3 249.310 2.053 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1C ZINC000643370062 541402083 /nfs/dbraw/zinc/40/20/83/541402083.db2.gz VOWDGFKWCVDVIG-AXFHLTTASA-N -1 3 247.342 2.077 20 0 BEADHM COc1ccc([O-])c(C(=O)NCC2CC(C)C2)c1 ZINC000622241591 370792142 /nfs/dbraw/zinc/79/21/42/370792142.db2.gz MBANZWBSULQVEY-UHFFFAOYSA-N -1 3 249.310 2.177 20 0 BEADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])no1 ZINC000174881111 365518163 /nfs/dbraw/zinc/51/81/63/365518163.db2.gz ALKIXBDGOVIISH-UHFFFAOYSA-N -1 3 236.202 2.080 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])c1ccncc1 ZINC000174891320 365518359 /nfs/dbraw/zinc/51/83/59/365518359.db2.gz QBMAVSHTKRDGDY-UHFFFAOYSA-N -1 3 232.214 2.179 20 0 BEADHM O=C(CCC1CCC1)Nc1ncccc1[O-] ZINC000174999994 365522654 /nfs/dbraw/zinc/52/26/54/365522654.db2.gz SHBFHWVYCBBZRQ-UHFFFAOYSA-N -1 3 220.272 2.306 20 0 BEADHM Cc1cscc1C(=O)Nc1ncccc1[O-] ZINC000175000210 365523210 /nfs/dbraw/zinc/52/32/10/365523210.db2.gz GDIMTDVRBGNHPB-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM O=C(Cc1cncc([O-])c1)Nc1cccc(F)c1 ZINC000576137177 365499218 /nfs/dbraw/zinc/49/92/18/365499218.db2.gz IYLURRLLXDGWTM-UHFFFAOYSA-N -1 3 246.241 2.108 20 0 BEADHM Cc1oc(CN2C[C@@H]3[C@H](C2)C3(C)C)cc1C(=O)[O-] ZINC000380375488 367195432 /nfs/dbraw/zinc/19/54/32/367195432.db2.gz HCWJWIWNXVKLBM-TXEJJXNPSA-N -1 3 249.310 2.374 20 0 BEADHM O=C([O-])[C@@H](C1CC1)N1CC=C(C(F)(F)F)CC1 ZINC000382527527 367533983 /nfs/dbraw/zinc/53/39/83/367533983.db2.gz HTSMJIDZCYURLY-SECBINFHSA-N -1 3 249.232 2.044 20 0 BEADHM CCc1cc(=O)[n-]c(CN(CC2CC2)C(C)C)n1 ZINC000581641649 367646805 /nfs/dbraw/zinc/64/68/05/367646805.db2.gz NSCQISZUBRTVMR-UHFFFAOYSA-N -1 3 249.358 2.365 20 0 BEADHM CC/C=C\CNC(=O)c1cc(OC)ccc1[O-] ZINC000384940566 367761892 /nfs/dbraw/zinc/76/18/92/367761892.db2.gz DXRHTZSORAVQIS-PLNGDYQASA-N -1 3 235.283 2.097 20 0 BEADHM O=C([O-])c1sccc1CN1CCCC1 ZINC000082501587 368689804 /nfs/dbraw/zinc/68/98/04/368689804.db2.gz YLASSULTKUUQHG-UHFFFAOYSA-N -1 3 211.286 2.042 20 0 BEADHM CCOC(=O)c1cc(-c2cnc(C)s2)n[n-]1 ZINC000259768708 370941429 /nfs/dbraw/zinc/94/14/29/370941429.db2.gz SDPQEUZKNQIKEE-UHFFFAOYSA-N -1 3 237.284 2.018 20 0 BEADHM CCOC(=O)c1cc(-c2cnc(C)s2)[n-]n1 ZINC000259768708 370941431 /nfs/dbraw/zinc/94/14/31/370941431.db2.gz SDPQEUZKNQIKEE-UHFFFAOYSA-N -1 3 237.284 2.018 20 0 BEADHM O=C([O-])c1cnccc1NC[C@H]1CCCS1 ZINC000088109975 368904154 /nfs/dbraw/zinc/90/41/54/368904154.db2.gz GYHUWFYGHFLUAR-MRVPVSSYSA-N -1 3 238.312 2.087 20 0 BEADHM Cc1cc(OCc2ccon2)cc2occ([O-])c21 ZINC000642609665 368932546 /nfs/dbraw/zinc/93/25/46/368932546.db2.gz ZQPZDVGSICUONS-UHFFFAOYSA-N -1 3 245.234 2.137 20 0 BEADHM CCCOc1cc2occ([O-])c2c(C)c1 ZINC000642610102 368933738 /nfs/dbraw/zinc/93/37/38/368933738.db2.gz UDTPQCQWBIIBHC-UHFFFAOYSA-N -1 3 206.241 2.359 20 0 BEADHM CCn1c(=O)[n-]nc1SC1CC(C)(C)C1 ZINC000631003869 370074980 /nfs/dbraw/zinc/07/49/80/370074980.db2.gz ANRRIQBMBQYUHD-UHFFFAOYSA-N -1 3 227.333 2.284 20 0 BEADHM CCC[C@H](C)N(C)C(=O)c1cc(F)c[n-]c1=O 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371866562 /nfs/dbraw/zinc/86/65/62/371866562.db2.gz LBFSWDVPMCCKJN-JGVFFNPUSA-N -1 3 223.238 2.491 20 0 BEADHM O=C(CC1=CCCCC1)[N-]C1=NCCS1 ZINC000106591194 181884303 /nfs/dbraw/zinc/88/43/03/181884303.db2.gz QAGPRCWIQKYJEL-UHFFFAOYSA-N -1 3 224.329 2.096 20 0 BEADHM O=C(CCc1ccc(O)cc1)[N-]OC1CCCC1 ZINC000274108429 181928598 /nfs/dbraw/zinc/92/85/98/181928598.db2.gz ZAWSUUTWJHMOOO-UHFFFAOYSA-N -1 3 249.310 2.315 20 0 BEADHM O=C(C[C@H]1C=CCCC1)[N-]OCc1cccnc1 ZINC000189224770 182025728 /nfs/dbraw/zinc/02/57/28/182025728.db2.gz QCXOIINEXFNPJV-LBPRGKRZSA-N -1 3 246.310 2.376 20 0 BEADHM O=C(Cc1cccc(F)c1)[N-]OC1CCCC1 ZINC000074581443 182042191 /nfs/dbraw/zinc/04/21/91/182042191.db2.gz WILKUUANIDTYJY-UHFFFAOYSA-N -1 3 237.274 2.359 20 0 BEADHM O=C(Cc1ccccc1Cl)[N-]OCC1CC1 ZINC000293768106 182045422 /nfs/dbraw/zinc/04/54/22/182045422.db2.gz MILJJUJBFITBRV-UHFFFAOYSA-N -1 3 239.702 2.340 20 0 BEADHM O=C(NCC1(C2CC2)CC1)c1ccccc1[O-] ZINC000120613462 182128282 /nfs/dbraw/zinc/12/82/82/182128282.db2.gz OXQBMAXGZFDZRB-UHFFFAOYSA-N -1 3 231.295 2.312 20 0 BEADHM O=C(NCC1=CCCCC1)c1ccc(O)cc1[O-] ZINC000295637924 182134246 /nfs/dbraw/zinc/13/42/46/182134246.db2.gz ANZZQPOFTWAFCP-UHFFFAOYSA-N -1 3 247.294 2.328 20 0 BEADHM Cc1cccc(C(=O)NCC(C)(C)F)c1[O-] ZINC000633726211 373724921 /nfs/dbraw/zinc/72/49/21/373724921.db2.gz PTRMVDZSBJVFRY-UHFFFAOYSA-N -1 3 225.263 2.179 20 0 BEADHM O=C([N-]CCF)C(F)(F)c1ccccc1F ZINC000280763720 182178689 /nfs/dbraw/zinc/17/86/89/182178689.db2.gz YVLMJUKRHKHPNS-UHFFFAOYSA-N -1 3 235.180 2.003 20 0 BEADHM O=C(NCc1cccc(O)c1)c1cccc([O-])c1 ZINC000038032215 182254454 /nfs/dbraw/zinc/25/44/54/182254454.db2.gz OWJFWXNNZVUCNB-UHFFFAOYSA-N -1 3 243.262 2.028 20 0 BEADHM O=C(NCc1ccccc1F)c1cccc([O-])c1 ZINC000019839759 182258540 /nfs/dbraw/zinc/25/85/40/182258540.db2.gz JIMQWOGSMSFFDT-UHFFFAOYSA-N -1 3 245.253 2.461 20 0 BEADHM O=C([N-]OCC1CC1)Nc1cc(F)cc(F)c1 ZINC000292663051 182281761 /nfs/dbraw/zinc/28/17/61/182281761.db2.gz LUMOZZCRLMCZBU-UHFFFAOYSA-N -1 3 242.225 2.428 20 0 BEADHM [O-]C(=NOCC1CC1)N1CCc2ccccc21 ZINC000292761513 182282107 /nfs/dbraw/zinc/28/21/07/182282107.db2.gz KLVIZQHFCBTDQE-UHFFFAOYSA-N -1 3 232.283 2.100 20 0 BEADHM O=C([N-]OCC1CC1)N1CCc2ccccc21 ZINC000292761513 182282109 /nfs/dbraw/zinc/28/21/09/182282109.db2.gz KLVIZQHFCBTDQE-UHFFFAOYSA-N -1 3 232.283 2.100 20 0 BEADHM O=C([N-]OCc1ccc(F)cc1)C1CC=CC1 ZINC000184157259 182283159 /nfs/dbraw/zinc/28/31/59/182283159.db2.gz SQCVBXFKMAOQBI-UHFFFAOYSA-N -1 3 235.258 2.340 20 0 BEADHM CC[C@H](C)[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000194296911 206088758 /nfs/dbraw/zinc/08/87/58/206088758.db2.gz SUQSFGNYXIAYCM-IUCAKERBSA-N -1 3 237.299 2.262 20 0 BEADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCOC1 ZINC000270010700 182354033 /nfs/dbraw/zinc/35/40/33/182354033.db2.gz COGJGYONSIEPFN-SSDOTTSWSA-N -1 3 241.674 2.021 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CC1(F)F ZINC000295126864 182349442 /nfs/dbraw/zinc/34/94/42/182349442.db2.gz HPNUQWNLWDKOEU-LURJTMIESA-N -1 3 231.173 2.125 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])C1CCC1 ZINC000267351704 182350256 /nfs/dbraw/zinc/35/02/56/182350256.db2.gz NWDXRSZKXHRSMP-UHFFFAOYSA-N -1 3 209.220 2.270 20 0 BEADHM O=C(Nc1cccc2ccsc21)c1nc[n-]n1 ZINC000337529371 182373425 /nfs/dbraw/zinc/37/34/25/182373425.db2.gz ILKPEXGRXUPJOB-UHFFFAOYSA-N -1 3 244.279 2.272 20 0 BEADHM O=C(Nc1ncccc1[O-])[C@@H]1Cc2ccccc21 ZINC000336346215 182399506 /nfs/dbraw/zinc/39/95/06/182399506.db2.gz AUIVGPVUPYSEOH-LLVKDONJSA-N -1 3 240.262 2.066 20 0 BEADHM CCCN(C)C(=O)c1cccc(C)c1[O-] ZINC000037098740 169061785 /nfs/dbraw/zinc/06/17/85/169061785.db2.gz IGFPLWWRDNAYNU-UHFFFAOYSA-N -1 3 207.273 2.183 20 0 BEADHM [O-]c1ccc(-c2noc(C3(O)CCCC3)n2)cc1 ZINC000275706265 183265963 /nfs/dbraw/zinc/26/59/63/183265963.db2.gz RDVGCINBMHNPFK-UHFFFAOYSA-N -1 3 246.266 2.204 20 0 BEADHM [O-]c1cc(F)cc(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000335158499 183258488 /nfs/dbraw/zinc/25/84/88/183258488.db2.gz ZPKGHPGGZZANTC-JQWIXIFHSA-N -1 3 239.315 2.221 20 0 BEADHM CCCNC(=O)c1ccc([O-])c(CC)c1 ZINC000291479201 169251369 /nfs/dbraw/zinc/25/13/69/169251369.db2.gz QQCJYNWFIROCSD-UHFFFAOYSA-N -1 3 207.273 2.094 20 0 BEADHM CCCS(=O)(=O)[N-]c1cc(C)ccc1F ZINC000070237951 169334181 /nfs/dbraw/zinc/33/41/81/169334181.db2.gz HCYXLLNBPUWZJY-UHFFFAOYSA-N -1 3 231.292 2.286 20 0 BEADHM CCC[C@@H](C)NC(=O)c1cc(OC)ccc1[O-] ZINC000052076846 169368184 /nfs/dbraw/zinc/36/81/84/169368184.db2.gz PBZXEDHRILVVIP-SECBINFHSA-N -1 3 237.299 2.319 20 0 BEADHM CCC[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000019838043 169369090 /nfs/dbraw/zinc/36/90/90/169369090.db2.gz QUIXXQACKUEHOX-SECBINFHSA-N -1 3 207.273 2.311 20 0 BEADHM CCC[C@@H](C)NC(=O)c1ccc(OC)cc1[O-] ZINC000019838062 169369188 /nfs/dbraw/zinc/36/91/88/169369188.db2.gz RBOZJQFILQPOLC-SECBINFHSA-N -1 3 237.299 2.319 20 0 BEADHM [O-]c1ccccc1-c1nc([C@H]2CCCOC2)no1 ZINC000087815964 383866155 /nfs/dbraw/zinc/86/61/55/383866155.db2.gz WFAHIJQXZKSJIP-VIFPVBQESA-N -1 3 246.266 2.336 20 0 BEADHM CCOCC(=O)Nc1c([O-])cccc1Cl ZINC000518583471 384044874 /nfs/dbraw/zinc/04/48/74/384044874.db2.gz UFDOQNPATZKUAA-UHFFFAOYSA-N -1 3 229.663 2.021 20 0 BEADHM CCN(CC1CC1)C(=O)c1ccc(OC)cc1[O-] ZINC000069238636 384036001 /nfs/dbraw/zinc/03/60/01/384036001.db2.gz DYKZTHOHLYFSTO-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM Cc1cccc(C(=O)N[C@@H]2CC[C@H]2C)c1[O-] ZINC000309433712 384076469 /nfs/dbraw/zinc/07/64/69/384076469.db2.gz MJMDYXJHLNCBAR-LDYMZIIASA-N -1 3 219.284 2.229 20 0 BEADHM CC[C@@H](C(=O)Nc1ccc(C)cc1[O-])[C@H](C)O ZINC000357299703 384151914 /nfs/dbraw/zinc/15/19/14/384151914.db2.gz GBSQZMITANPQDU-VHSXEESVSA-N -1 3 237.299 2.046 20 0 BEADHM CC[C@@H](C)CN(C)C(=O)c1c([O-])cccc1O ZINC000092121603 384164346 /nfs/dbraw/zinc/16/43/46/384164346.db2.gz PDIODTTYWIYNSQ-SECBINFHSA-N -1 3 237.299 2.216 20 0 BEADHM COC(C)(C)c1noc(-c2ccccc2[O-])n1 ZINC000092141683 384165574 /nfs/dbraw/zinc/16/55/74/384165574.db2.gz KROCCQDIHGLADY-UHFFFAOYSA-N -1 3 234.255 2.324 20 0 BEADHM CN(C)CCN(C)Cc1cccc([O-])c1Cl ZINC000294026474 384206373 /nfs/dbraw/zinc/20/63/73/384206373.db2.gz VHSBEXJKMIGFHZ-UHFFFAOYSA-N -1 3 242.750 2.039 20 0 BEADHM Cc1ccc(C(=O)NC[C@H]2C[C@H]2C)c([O-])c1 ZINC000043115567 384264203 /nfs/dbraw/zinc/26/42/03/384264203.db2.gz LBWBRUAUYLSTLE-NXEZZACHSA-N -1 3 219.284 2.086 20 0 BEADHM Cc1ccc(C(=O)NC[C@H]2C[C@@H]2C)c([O-])c1 ZINC000043115560 384265123 /nfs/dbraw/zinc/26/51/23/384265123.db2.gz LBWBRUAUYLSTLE-VHSXEESVSA-N -1 3 219.284 2.086 20 0 BEADHM CC(C)(NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000083644374 384316459 /nfs/dbraw/zinc/31/64/59/384316459.db2.gz YRPZTRCYHKKFNQ-UHFFFAOYSA-N -1 3 245.681 2.432 20 0 BEADHM Cc1cc(CN2CCC[C@@H]2C(=O)[O-])c(C)s1 ZINC000083403986 384295674 /nfs/dbraw/zinc/29/56/74/384295674.db2.gz HBEZCQRCXRMTGK-LLVKDONJSA-N -1 3 239.340 2.414 20 0 BEADHM Cc1ccc([O-])c(CN(C)Cc2cscn2)n1 ZINC000120211644 384339097 /nfs/dbraw/zinc/33/90/97/384339097.db2.gz DFRGRQLNLGPRDU-UHFFFAOYSA-N -1 3 249.339 2.184 20 0 BEADHM Cc1ccoc1CNC(=O)c1cccc([O-])c1 ZINC000335569707 384330817 /nfs/dbraw/zinc/33/08/17/384330817.db2.gz AMTXTCMJFRUULH-UHFFFAOYSA-N -1 3 231.251 2.224 20 0 BEADHM CCCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000013938591 384379514 /nfs/dbraw/zinc/37/95/14/384379514.db2.gz YDUGOZUUURFOPU-UHFFFAOYSA-N -1 3 249.282 2.043 20 0 BEADHM CCO[C@@H](CC)C(=O)Nc1c(C)cccc1[O-] ZINC000560850838 384383971 /nfs/dbraw/zinc/38/39/71/384383971.db2.gz QLTYUXNEOSXYQO-NSHDSACASA-N -1 3 237.299 2.454 20 0 BEADHM CC1(C)CCN(C(=O)/C=C\c2cncc([O-])c2)C1 ZINC000255191433 384446363 /nfs/dbraw/zinc/44/63/63/384446363.db2.gz DIQJACGGBHJDFQ-ARJAWSKDSA-N -1 3 246.310 2.059 20 0 BEADHM [O-]c1cccnc1CSC[C@H]1CCCO1 ZINC000521371915 384427971 /nfs/dbraw/zinc/42/79/71/384427971.db2.gz PYHVYPCDVXLCFF-SECBINFHSA-N -1 3 225.313 2.199 20 0 BEADHM O=C(c1cccc([O-])c1)N1CC[C@@H]2CCC[C@H]21 ZINC000334328008 384436735 /nfs/dbraw/zinc/43/67/35/384436735.db2.gz MOKXCZJXOIVGTK-GXFFZTMASA-N -1 3 231.295 2.407 20 0 BEADHM O=C(c1cccc([O-])c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000334328004 384436766 /nfs/dbraw/zinc/43/67/66/384436766.db2.gz MOKXCZJXOIVGTK-GWCFXTLKSA-N -1 3 231.295 2.407 20 0 BEADHM O=C(Cc1cncc([O-])c1)NC1CCCCCC1 ZINC000561042514 384460019 /nfs/dbraw/zinc/46/00/19/384460019.db2.gz KLJOUVSYTHDDRE-UHFFFAOYSA-N -1 3 248.326 2.169 20 0 BEADHM CCO[N-]C(=O)[C@H](C)CCc1ccccc1F ZINC000079429782 384495848 /nfs/dbraw/zinc/49/58/48/384495848.db2.gz TVABQTGVGFXYHN-SNVBAGLBSA-N -1 3 239.290 2.462 20 0 BEADHM Cc1ccc(NC(=O)CC[C@H]2CCOC2)c([O-])c1 ZINC000175856322 384499969 /nfs/dbraw/zinc/49/99/69/384499969.db2.gz BHTPCXTTZAFDOL-NSHDSACASA-N -1 3 249.310 2.456 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC[C@H](C)[C@H](C)C2)n1 ZINC000122847477 384514196 /nfs/dbraw/zinc/51/41/96/384514196.db2.gz SPQZCGMVTNHRQK-WDEREUQCSA-N -1 3 249.358 2.223 20 0 BEADHM CCO[N-]C(=O)Nc1cc(F)c(OC)cc1F ZINC000184081315 384562867 /nfs/dbraw/zinc/56/28/67/384562867.db2.gz IZIOQWGWFDWPPV-UHFFFAOYSA-N -1 3 246.213 2.046 20 0 BEADHM O=C(CC1CCOCC1)[N-]OCc1ccccc1 ZINC000172205666 384548764 /nfs/dbraw/zinc/54/87/64/384548764.db2.gz XLKGEUJHLPZVSO-UHFFFAOYSA-N -1 3 249.310 2.051 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCC(C)(C)C)c1 ZINC000040494913 384578290 /nfs/dbraw/zinc/57/82/90/384578290.db2.gz FUZZKVFJMDYWEV-UHFFFAOYSA-N -1 3 221.300 2.477 20 0 BEADHM O=C(c1cccc([O-])c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000123701802 384580580 /nfs/dbraw/zinc/58/05/80/384580580.db2.gz FWVMPAHQNAAYHR-RYUDHWBXSA-N -1 3 231.295 2.264 20 0 BEADHM CC[C@@H](C)OCC(=O)Nc1cc(F)ccc1[O-] ZINC000162378467 384613272 /nfs/dbraw/zinc/61/32/72/384613272.db2.gz NMJKJNJXPCCUTL-MRVPVSSYSA-N -1 3 241.262 2.285 20 0 BEADHM CCC1(CNC(=O)Cc2cncc([O-])c2)CCC1 ZINC000561270843 384615773 /nfs/dbraw/zinc/61/57/73/384615773.db2.gz SZRIAJOKZPSCMM-UHFFFAOYSA-N -1 3 248.326 2.026 20 0 BEADHM CCc1cccc(C(=O)NC[C@H]2C[C@H]2C)c1[O-] ZINC000531118736 384617776 /nfs/dbraw/zinc/61/77/76/384617776.db2.gz MJROVQHOBXDLFG-MWLCHTKSSA-N -1 3 233.311 2.340 20 0 BEADHM CN(Cc1ccncc1)C(=O)c1cccc([O-])c1 ZINC000036776892 384618288 /nfs/dbraw/zinc/61/82/88/384618288.db2.gz UKWZNIXGMPGBKS-UHFFFAOYSA-N -1 3 242.278 2.059 20 0 BEADHM Cc1ccc([O-])c(C(=O)Nc2ccc(F)cn2)c1 ZINC000103015608 384591335 /nfs/dbraw/zinc/59/13/35/384591335.db2.gz PGJTZQCPBGJDQY-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM CC(C)(C[N-]C(=O)C(F)(F)F)C1CCC1 ZINC000258820363 384669468 /nfs/dbraw/zinc/66/94/68/384669468.db2.gz QTEWOCHJJFRHLK-UHFFFAOYSA-N -1 3 223.238 2.491 20 0 BEADHM CSC[C@@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000124552247 384652856 /nfs/dbraw/zinc/65/28/56/384652856.db2.gz HUCHQNQJOVDGBI-SECBINFHSA-N -1 3 239.340 2.182 20 0 BEADHM O=C([O-])c1coc(CN2CCCCCC2)c1 ZINC000051330214 384701742 /nfs/dbraw/zinc/70/17/42/384701742.db2.gz XUYHFMHRDKMUMO-UHFFFAOYSA-N -1 3 223.272 2.354 20 0 BEADHM CO[N-]C(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000185835620 384776090 /nfs/dbraw/zinc/77/60/90/384776090.db2.gz QSOMHXDUSIGNSX-UHFFFAOYSA-N -1 3 237.274 2.216 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](C)[C@@H]2CC)n1 ZINC000185621162 384748584 /nfs/dbraw/zinc/74/85/84/384748584.db2.gz LVPYMOQKYKJYMJ-PWSUYJOCSA-N -1 3 249.358 2.365 20 0 BEADHM CCC(C)(CC)NC(=O)/C=C\c1cncc([O-])c1 ZINC000255568292 384840031 /nfs/dbraw/zinc/84/00/31/384840031.db2.gz MJFZDFQJOPWFPK-SREVYHEPSA-N -1 3 248.326 2.495 20 0 BEADHM CCC1(NC(=O)c2cccc([O-])c2)CCC1 ZINC000163681100 384845463 /nfs/dbraw/zinc/84/54/63/384845463.db2.gz PLZOOOOVIYVBDO-UHFFFAOYSA-N -1 3 219.284 2.455 20 0 BEADHM CC[C@H](CSC)NC(=O)c1cccc([O-])c1 ZINC000163690547 384846470 /nfs/dbraw/zinc/84/64/70/384846470.db2.gz QDJICCXAGWAAOV-SNVBAGLBSA-N -1 3 239.340 2.264 20 0 BEADHM C[C@H](C(=O)Nc1nnc(-c2ccco2)[n-]1)C1CC1 ZINC000175304981 384890248 /nfs/dbraw/zinc/89/02/48/384890248.db2.gz FLEJDPDKHCFMQR-ZETCQYMHSA-N -1 3 246.270 2.049 20 0 BEADHM C[C@H](C(=O)Nc1nc(-c2ccco2)n[n-]1)C1CC1 ZINC000175304981 384890257 /nfs/dbraw/zinc/89/02/57/384890257.db2.gz FLEJDPDKHCFMQR-ZETCQYMHSA-N -1 3 246.270 2.049 20 0 BEADHM C[C@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)C1CC1 ZINC000175304981 384890262 /nfs/dbraw/zinc/89/02/62/384890262.db2.gz FLEJDPDKHCFMQR-ZETCQYMHSA-N -1 3 246.270 2.049 20 0 BEADHM Cc1ccoc1CNCc1nc(C)ccc1[O-] ZINC000310290320 384945372 /nfs/dbraw/zinc/94/53/72/384945372.db2.gz YUNIJPHNHXBYFU-UHFFFAOYSA-N -1 3 232.283 2.287 20 0 BEADHM CCc1ccccc1CC(=O)[N-]C1=NCCS1 ZINC000188231258 385028103 /nfs/dbraw/zinc/02/81/03/385028103.db2.gz AOEIHXFQCZBYIX-UHFFFAOYSA-N -1 3 248.351 2.011 20 0 BEADHM CCc1ccc(C(=O)NCC(F)(F)F)c([O-])c1 ZINC000189114430 385125050 /nfs/dbraw/zinc/12/50/50/385125050.db2.gz UJBFAVFZXSRZPK-UHFFFAOYSA-N -1 3 247.216 2.247 20 0 BEADHM CC(C)(C)C[N-]S(=O)(=O)c1cccs1 ZINC000149970829 385125172 /nfs/dbraw/zinc/12/51/72/385125172.db2.gz CHAMHFMRPIFLLR-UHFFFAOYSA-N -1 3 233.358 2.073 20 0 BEADHM COc1ccc(NC(=O)/C=C/C2CC2)c([O-])c1 ZINC000491965650 385133141 /nfs/dbraw/zinc/13/31/41/385133141.db2.gz RBDIJXAQVPSJLP-QPJJXVBHSA-N -1 3 233.267 2.306 20 0 BEADHM CCc1ccc(C(=O)N(C)C(C)C)c([O-])c1 ZINC000189243985 385138289 /nfs/dbraw/zinc/13/82/89/385138289.db2.gz IMZQWCFEHUINMY-UHFFFAOYSA-N -1 3 221.300 2.435 20 0 BEADHM CCC1(C)CN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000291093519 385200314 /nfs/dbraw/zinc/20/03/14/385200314.db2.gz QKEZVHVDNHEOAV-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM CCCC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000109626046 385180300 /nfs/dbraw/zinc/18/03/00/385180300.db2.gz SOTQHAWMQCGPHS-UHFFFAOYSA-N -1 3 248.261 2.349 20 0 BEADHM O=C(c1cccc([O-])c1)N1CC[C@H](C2CC2)C1 ZINC000336382371 385302284 /nfs/dbraw/zinc/30/22/84/385302284.db2.gz KIYAMXZLLMDRNK-LBPRGKRZSA-N -1 3 231.295 2.264 20 0 BEADHM CCN(C(=O)Cc1ccc([O-])c(F)c1)C(C)C ZINC000448752364 385259903 /nfs/dbraw/zinc/25/99/03/385259903.db2.gz RVGDGGYIVFSGRT-UHFFFAOYSA-N -1 3 239.290 2.331 20 0 BEADHM CCc1cc(=O)[n-]c(CN[C@H]2CCCC2(C)C)n1 ZINC000191859537 385329725 /nfs/dbraw/zinc/32/97/25/385329725.db2.gz BZUIMNFYVUIHKV-NSHDSACASA-N -1 3 249.358 2.413 20 0 BEADHM CCc1cccc(C(=O)N2C[C@H](C)[C@H]2C)c1[O-] ZINC000647314925 385361974 /nfs/dbraw/zinc/36/19/74/385361974.db2.gz IQWQWMDWOKKHBW-VHSXEESVSA-N -1 3 233.311 2.435 20 0 BEADHM CCc1ccc([C@H](C)CC(=O)[N-]OC)cc1 ZINC000155612934 385398714 /nfs/dbraw/zinc/39/87/14/385398714.db2.gz QTMSJMNRZVFBSC-SNVBAGLBSA-N -1 3 221.300 2.420 20 0 BEADHM CC[C@@H](C)Sc1ncc(C(=O)OC)[n-]1 ZINC000193540121 385400773 /nfs/dbraw/zinc/40/07/73/385400773.db2.gz FSPHFGXNVCKDAK-ZCFIWIBFSA-N -1 3 214.290 2.087 20 0 BEADHM CC(C)(C)CCC(=O)[N-]OCc1cccnc1 ZINC000155897523 385419855 /nfs/dbraw/zinc/41/98/55/385419855.db2.gz XZPLJMKOLNVRMU-UHFFFAOYSA-N -1 3 236.315 2.456 20 0 BEADHM CCC(=O)C1(C(=O)Nc2ccccc2[O-])CC1 ZINC000448761732 385440436 /nfs/dbraw/zinc/44/04/36/385440436.db2.gz JUFWLYKQPCYQOL-UHFFFAOYSA-N -1 3 233.267 2.090 20 0 BEADHM O=C(CCCC(=O)C1CC1)Nc1ccccc1[O-] ZINC000448763376 385476171 /nfs/dbraw/zinc/47/61/71/385476171.db2.gz NVAZWVMPBMJFLH-UHFFFAOYSA-N -1 3 247.294 2.480 20 0 BEADHM O=C(CCc1ccccc1)Nc1ccncc1[O-] ZINC000109888989 385491058 /nfs/dbraw/zinc/49/10/58/385491058.db2.gz SWMWGJNSMBQOOD-UHFFFAOYSA-N -1 3 242.278 2.359 20 0 BEADHM COC(C)(C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000171665758 385505964 /nfs/dbraw/zinc/50/59/64/385505964.db2.gz NAYYTZXJKYSKBW-UHFFFAOYSA-N -1 3 243.690 2.409 20 0 BEADHM CCN1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000257884601 385507078 /nfs/dbraw/zinc/50/70/78/385507078.db2.gz APFMILFJFKQCON-UHFFFAOYSA-N -1 3 240.328 2.041 20 0 BEADHM C[C@@H]1CC[C@@H](CNC(=O)c2ccc(O)cc2[O-])C1 ZINC000235309489 259672349 /nfs/dbraw/zinc/67/23/49/259672349.db2.gz SHXDISLWWYDUCJ-NXEZZACHSA-N -1 3 249.310 2.264 20 0 BEADHM CCO[N-]C(=O)CCC(=O)c1ccc(CC)cc1 ZINC000253490614 385679339 /nfs/dbraw/zinc/67/93/39/385679339.db2.gz JLKXVJYVRNOUSS-UHFFFAOYSA-N -1 3 249.310 2.280 20 0 BEADHM CCO[N-]C(=O)Nc1ccc2c(c1)CCC2 ZINC000182889398 385717602 /nfs/dbraw/zinc/71/76/02/385717602.db2.gz PWWIJZVDANGYRB-UHFFFAOYSA-N -1 3 220.272 2.248 20 0 BEADHM CO[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H](C)C1 ZINC000281706393 385695306 /nfs/dbraw/zinc/69/53/06/385695306.db2.gz GWUHPWGJIRVTCW-GHMZBOCLSA-N -1 3 249.310 2.032 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(C)cc1F ZINC000182880938 385715684 /nfs/dbraw/zinc/71/56/84/385715684.db2.gz RFUHXMCFYYPLMD-UHFFFAOYSA-N -1 3 212.224 2.207 20 0 BEADHM CC1(C)CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000182435358 385670317 /nfs/dbraw/zinc/67/03/17/385670317.db2.gz QAZQZSUKLYSMEQ-UHFFFAOYSA-N -1 3 249.310 2.360 20 0 BEADHM CCO[N-]C(=O)Nc1ccc2oc(C)nc2c1 ZINC000183020317 385729396 /nfs/dbraw/zinc/72/93/96/385729396.db2.gz BVMFOIBSURJXFT-UHFFFAOYSA-N -1 3 235.243 2.209 20 0 BEADHM CCO[C@H]1C[C@@H]1C(=O)Nc1c(C)cccc1[O-] ZINC000183047531 385733160 /nfs/dbraw/zinc/73/31/60/385733160.db2.gz LTRXJMQLBBFPRH-ONGXEEELSA-N -1 3 235.283 2.064 20 0 BEADHM CO[C@]1(C)CCCN(C(=O)c2ccccc2[O-])C1 ZINC000230268656 385725015 /nfs/dbraw/zinc/72/50/15/385725015.db2.gz OCUMPOQARLPHHN-CQSZACIVSA-N -1 3 249.310 2.033 20 0 BEADHM CCC[C@@H]1C[C@H]1NC(=O)c1cccc(OC)c1[O-] ZINC000231694757 385814782 /nfs/dbraw/zinc/81/47/82/385814782.db2.gz NHBTYNXOQMHLBQ-MWLCHTKSSA-N -1 3 249.310 2.319 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H]2C)c1 ZINC000294206384 385822799 /nfs/dbraw/zinc/82/27/99/385822799.db2.gz QSXFQUZECUQJGD-VHSXEESVSA-N -1 3 219.284 2.181 20 0 BEADHM CCOc1cc(C(=O)[N-]c2ncccc2C)on1 ZINC000294272954 385831297 /nfs/dbraw/zinc/83/12/97/385831297.db2.gz ANLKWRFLHDBYKJ-UHFFFAOYSA-N -1 3 247.254 2.029 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2CF)c1 ZINC000294025910 385790392 /nfs/dbraw/zinc/79/03/92/385790392.db2.gz JRIKFYVXFWAKQI-JTQLQIEISA-N -1 3 237.274 2.275 20 0 BEADHM CC(C)CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647799083 385797206 /nfs/dbraw/zinc/79/72/06/385797206.db2.gz VTQCLTWRCXWBJH-UHFFFAOYSA-N -1 3 233.271 2.253 20 0 BEADHM COC1([C@H](C)NC(=O)c2cccc([O-])c2)CCC1 ZINC000413969785 385918745 /nfs/dbraw/zinc/91/87/45/385918745.db2.gz FGSGTGWBXHCTOU-JTQLQIEISA-N -1 3 249.310 2.080 20 0 BEADHM Cc1ccc(NC(=O)[C@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000272108672 385874931 /nfs/dbraw/zinc/87/49/31/385874931.db2.gz QYUJVNABLXULHW-QWRGUYRKSA-N -1 3 249.310 2.454 20 0 BEADHM Cc1ccc(CC(=O)[N-]OC2CCCC2)cc1O ZINC000272141945 385878687 /nfs/dbraw/zinc/87/86/87/385878687.db2.gz VHQPQWWDWXYMKY-UHFFFAOYSA-N -1 3 249.310 2.234 20 0 BEADHM O=C(CCCn1cccc1)[N-]OC1CCCC1 ZINC000272143510 385879114 /nfs/dbraw/zinc/87/91/14/385879114.db2.gz VUNGLEWXONBHEO-UHFFFAOYSA-N -1 3 236.315 2.259 20 0 BEADHM O=C(c1ccccc1[O-])N1CC2(C1)CCCC2 ZINC000334321382 385986129 /nfs/dbraw/zinc/98/61/29/385986129.db2.gz WVCDSXQVZLKJJA-UHFFFAOYSA-N -1 3 231.295 2.408 20 0 BEADHM CC(C)[C@@H](O)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000285771498 385963641 /nfs/dbraw/zinc/96/36/41/385963641.db2.gz NEJDIJDTYWMNSP-SNVBAGLBSA-N -1 3 243.690 2.001 20 0 BEADHM CCC[C@H](C)N(C)Cc1nc(CC)cc(=O)[n-]1 ZINC000338314364 385966324 /nfs/dbraw/zinc/96/63/24/385966324.db2.gz ISZXQKWKMQJWRU-JTQLQIEISA-N -1 3 237.347 2.365 20 0 BEADHM Cc1ccnc(NC([O-])=NOC2CCCC2)c1 ZINC000273120608 385972049 /nfs/dbraw/zinc/97/20/49/385972049.db2.gz QNFLLWRXLGYWRK-UHFFFAOYSA-N -1 3 235.287 2.386 20 0 BEADHM Cc1ccnc(NC(=O)[N-]OC2CCCC2)c1 ZINC000273120608 385972057 /nfs/dbraw/zinc/97/20/57/385972057.db2.gz QNFLLWRXLGYWRK-UHFFFAOYSA-N -1 3 235.287 2.386 20 0 BEADHM CCC[C@@H](OC)C(=O)[N-]c1onc(C)c1C ZINC000295121502 385972844 /nfs/dbraw/zinc/97/28/44/385972844.db2.gz ZNVXIZVXGFIVES-SECBINFHSA-N -1 3 226.276 2.045 20 0 BEADHM COCc1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000273494595 386006598 /nfs/dbraw/zinc/00/65/98/386006598.db2.gz XAZWPLOHFLLUEG-UHFFFAOYSA-N -1 3 234.255 2.205 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@H]2CC=CCC2)n1 ZINC000273544594 386012512 /nfs/dbraw/zinc/01/25/12/386012512.db2.gz UHJLQWFFBVVBFV-JTQLQIEISA-N -1 3 232.283 2.390 20 0 BEADHM CCc1cccc(F)c1CN[C@@H](C)CC(=O)[O-] ZINC000414634561 386017222 /nfs/dbraw/zinc/01/72/22/386017222.db2.gz CJGDKYCQQBFCDY-VIFPVBQESA-N -1 3 239.290 2.341 20 0 BEADHM Cc1ccc([O-])c(CN2CCC[C@@](C)(F)C2)n1 ZINC000295973764 386116367 /nfs/dbraw/zinc/11/63/67/386116367.db2.gz IVFBBBNIZFZDTK-CYBMUJFWSA-N -1 3 238.306 2.420 20 0 BEADHM C[C@@]1(F)CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000295729629 386076572 /nfs/dbraw/zinc/07/65/72/386076572.db2.gz LIRWKRNTLOJTFS-CYBMUJFWSA-N -1 3 237.274 2.356 20 0 BEADHM CC(=O)c1ccc(C(=O)N2C[C@H](C)[C@H]2C)cc1[O-] ZINC000335187328 386123120 /nfs/dbraw/zinc/12/31/20/386123120.db2.gz ATSZOKCJLCHCNR-DTWKUNHWSA-N -1 3 247.294 2.075 20 0 BEADHM COC(=O)c1cnc(SCC2(C)CCC2)[n-]1 ZINC000287476022 386125393 /nfs/dbraw/zinc/12/53/93/386125393.db2.gz IIVJDUKGVHKMGI-UHFFFAOYSA-N -1 3 240.328 2.479 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C)o1 ZINC000334466958 386129926 /nfs/dbraw/zinc/12/99/26/386129926.db2.gz VZNNKZIBYLGVKR-PSASIEDQSA-N -1 3 243.328 2.055 20 0 BEADHM CCCCOc1ccc(C(=O)NCC)c([O-])c1 ZINC000189996881 386141195 /nfs/dbraw/zinc/14/11/95/386141195.db2.gz ZQCDIBNELUBSFB-UHFFFAOYSA-N -1 3 237.299 2.321 20 0 BEADHM CC[C@@H](C)CON=C([O-])Nc1cncc(F)c1 ZINC000296929132 386211832 /nfs/dbraw/zinc/21/18/32/386211832.db2.gz ZPRAGFOGMNVYHV-MRVPVSSYSA-N -1 3 241.266 2.320 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Nc1cncc(F)c1 ZINC000296929132 386211833 /nfs/dbraw/zinc/21/18/33/386211833.db2.gz ZPRAGFOGMNVYHV-MRVPVSSYSA-N -1 3 241.266 2.320 20 0 BEADHM CO[C@H](CC(C)C)C(=O)Nc1ccccc1[O-] ZINC000416130836 386216908 /nfs/dbraw/zinc/21/69/08/386216908.db2.gz IWLUYHDSKQYAAZ-GFCCVEGCSA-N -1 3 237.299 2.392 20 0 BEADHM Cc1csc(CCCC(=O)[N-]OC(C)C)n1 ZINC000297321906 386243016 /nfs/dbraw/zinc/24/30/16/386243016.db2.gz WFRSBGFJOBLILJ-UHFFFAOYSA-N -1 3 242.344 2.230 20 0 BEADHM O=C(c1cc([O-])ccc1Cl)N1CCCCO1 ZINC000236605301 386290469 /nfs/dbraw/zinc/29/04/69/386290469.db2.gz GVXMVDJJUWXFTI-UHFFFAOYSA-N -1 3 241.674 2.213 20 0 BEADHM Cc1ccc2nccc(N(C)[C@@H](C)C(=O)[O-])c2c1 ZINC000416396993 386291580 /nfs/dbraw/zinc/29/15/80/386291580.db2.gz GVHUACICJIKJBI-JTQLQIEISA-N -1 3 244.294 2.453 20 0 BEADHM Cc1ccc2nccc(N(C)CCC(=O)[O-])c2c1 ZINC000416428303 386304416 /nfs/dbraw/zinc/30/44/16/386304416.db2.gz QDZJSSMUAYWCHR-UHFFFAOYSA-N -1 3 244.294 2.454 20 0 BEADHM CC1(C(=O)Nc2ncccc2[O-])CCCC1 ZINC000298169633 386305954 /nfs/dbraw/zinc/30/59/54/386305954.db2.gz RIIWIOBQIKHSMA-UHFFFAOYSA-N -1 3 220.272 2.306 20 0 BEADHM O=[S@@](CC[C@@H]1CCCO1)c1cccc([O-])c1 ZINC000276400427 386317399 /nfs/dbraw/zinc/31/73/99/386317399.db2.gz UIUNSQDFNZNKHR-ZBEGNZNMSA-N -1 3 240.324 2.069 20 0 BEADHM CO[C@H]1C[C@@H](N(C)Cc2cc([O-])cc(F)c2)C1 ZINC000289103571 386262020 /nfs/dbraw/zinc/26/20/20/386262020.db2.gz CHCNHAKQBVRMTF-BJHJDKERSA-N -1 3 239.290 2.141 20 0 BEADHM CCc1cc(=O)[n-]c(CN2C[C@@H](C)C[C@H]2CC)n1 ZINC000336718335 386440442 /nfs/dbraw/zinc/44/04/42/386440442.db2.gz VBUBGOPVBTXFJA-CMPLNLGQSA-N -1 3 249.358 2.365 20 0 BEADHM O=C([O-])C1(NCc2ccc(Cl)o2)CCCC1 ZINC000417571041 386400290 /nfs/dbraw/zinc/40/02/90/386400290.db2.gz DYBFTYINPUGGAK-UHFFFAOYSA-N -1 3 243.690 2.420 20 0 BEADHM CCCCCOCC(=O)[N-]c1onc(C)c1C ZINC000267159807 386501506 /nfs/dbraw/zinc/50/15/06/386501506.db2.gz GGBVWOIATSIKJJ-UHFFFAOYSA-N -1 3 240.303 2.437 20 0 BEADHM Cc1ccc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)o1 ZINC000335443298 386504429 /nfs/dbraw/zinc/50/44/29/386504429.db2.gz NDEXVQFESADMFH-BXKDBHETSA-N -1 3 237.299 2.131 20 0 BEADHM CCO[N-]C(=O)Cc1cn(CC)c2ccccc12 ZINC000299469654 386456602 /nfs/dbraw/zinc/45/66/02/386456602.db2.gz GHIPXEGKZOFDKO-UHFFFAOYSA-N -1 3 246.310 2.271 20 0 BEADHM Cc1cc(C(=O)NC2CC(F)(F)C2)ccc1[O-] ZINC000277697313 386461791 /nfs/dbraw/zinc/46/17/91/386461791.db2.gz XTFSXMHSHWAHHV-UHFFFAOYSA-N -1 3 241.237 2.228 20 0 BEADHM CCc1cc(C(=O)NC2CC(C)C2)ccc1[O-] ZINC000291743369 386576946 /nfs/dbraw/zinc/57/69/46/386576946.db2.gz DEJDPEJGSUYMPG-UHFFFAOYSA-N -1 3 233.311 2.483 20 0 BEADHM Cc1ccc(C(=O)NCC(F)F)c([O-])c1C ZINC000267825445 386589129 /nfs/dbraw/zinc/58/91/29/386589129.db2.gz IXEALPNUTYZWPP-UHFFFAOYSA-N -1 3 229.226 2.004 20 0 BEADHM CCN(C(=O)c1cccc([O-])c1)C1CCC1 ZINC000336380984 386530649 /nfs/dbraw/zinc/53/06/49/386530649.db2.gz FHPSNSAXIPXVMW-UHFFFAOYSA-N -1 3 219.284 2.407 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@H](F)C2)c([O-])c1C ZINC000335455182 386531317 /nfs/dbraw/zinc/53/13/17/386531317.db2.gz HRADZYVLQYFEGA-JTQLQIEISA-N -1 3 237.274 2.193 20 0 BEADHM COC(C)(C)CC(=O)Nc1ccccc1[O-] ZINC000278496739 386535648 /nfs/dbraw/zinc/53/56/48/386535648.db2.gz UWEXYWLQOAZXLL-UHFFFAOYSA-N -1 3 223.272 2.146 20 0 BEADHM CCc1cc(C(=O)N2CC[C@@H](C)C2)ccc1[O-] ZINC000291452390 386549334 /nfs/dbraw/zinc/54/93/34/386549334.db2.gz HFMADLLGDPDUJK-SNVBAGLBSA-N -1 3 233.311 2.437 20 0 BEADHM CCC[C@H]1CN(CCCCCC(=O)[O-])CCO1 ZINC000519766496 386552242 /nfs/dbraw/zinc/55/22/42/386552242.db2.gz ZHAHVGXIKLIDML-LBPRGKRZSA-N -1 3 243.347 2.132 20 0 BEADHM [O-]c1ccc(F)c(CN2CC[C@@H](F)C2)c1F ZINC000335405540 386563096 /nfs/dbraw/zinc/56/30/96/386563096.db2.gz CILNUNBJTXHOTD-SSDOTTSWSA-N -1 3 231.217 2.214 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccnc1 ZINC000291681404 386569075 /nfs/dbraw/zinc/56/90/75/386569075.db2.gz CLIFMUMSIIYKLL-SECBINFHSA-N -1 3 223.276 2.181 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2C(C)C)n1 ZINC000268178915 386629541 /nfs/dbraw/zinc/62/95/41/386629541.db2.gz CESMASDAAVLNLZ-GFCCVEGCSA-N -1 3 249.358 2.365 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccncc1 ZINC000291926569 386600364 /nfs/dbraw/zinc/60/03/64/386600364.db2.gz SGOCOIJGTCDWNJ-SECBINFHSA-N -1 3 223.276 2.181 20 0 BEADHM C[C@H](NCc1ccccc1OCC1CC1)C(=O)[O-] ZINC000340673669 386654768 /nfs/dbraw/zinc/65/47/68/386654768.db2.gz KMAATEBITUJKNP-JTQLQIEISA-N -1 3 249.310 2.038 20 0 BEADHM COC(=O)c1ccc(-c2nc(CC(C)C)no2)[n-]1 ZINC000292020678 386612318 /nfs/dbraw/zinc/61/23/18/386612318.db2.gz ZSFRXEVFAOITBP-UHFFFAOYSA-N -1 3 249.270 2.050 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCC(=O)C1 ZINC000335494205 386614218 /nfs/dbraw/zinc/61/42/18/386614218.db2.gz KYTVQNDUDHLOHF-VIFPVBQESA-N -1 3 233.267 2.008 20 0 BEADHM COc1cc(C(=O)N(C)C(C)(C)C)ccc1[O-] ZINC000335521266 386661517 /nfs/dbraw/zinc/66/15/17/386661517.db2.gz MLFGNJISQGAJNU-UHFFFAOYSA-N -1 3 237.299 2.271 20 0 BEADHM C[C@@H](CSCc1nc(=O)[n-][nH]1)c1ccccc1 ZINC000279812763 386739780 /nfs/dbraw/zinc/73/97/80/386739780.db2.gz ADSLXHPPCCDXJC-VIFPVBQESA-N -1 3 249.339 2.135 20 0 BEADHM CSCCO[N-]C(=O)/C=C/c1cccs1 ZINC000279906328 386753547 /nfs/dbraw/zinc/75/35/47/386753547.db2.gz GNGIAECDOQBQJD-SNAWJCMRSA-N -1 3 243.353 2.172 20 0 BEADHM COC(C)(C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000279946605 386760597 /nfs/dbraw/zinc/76/05/97/386760597.db2.gz RXDBPENABYMDNX-UHFFFAOYSA-N -1 3 241.262 2.285 20 0 BEADHM CC1=C[C@@H](C)CN(c2ccncc2C(=O)[O-])C1 ZINC000521442422 386743371 /nfs/dbraw/zinc/74/33/71/386743371.db2.gz DVUZOFNHPGTEBK-SECBINFHSA-N -1 3 232.283 2.182 20 0 BEADHM Cc1ccc([O-])c(CN[C@@H]2CSC2(C)C)n1 ZINC000282957985 386790097 /nfs/dbraw/zinc/79/00/97/386790097.db2.gz YGQSVYXATMYQGE-LLVKDONJSA-N -1 3 238.356 2.079 20 0 BEADHM CC(C)N(Cc1n[nH]c(=O)[n-]1)C1CCCCC1 ZINC000340842132 386774818 /nfs/dbraw/zinc/77/48/18/386774818.db2.gz UZDSOWCNXSZMRO-UHFFFAOYSA-N -1 3 238.335 2.053 20 0 BEADHM CSCCO[N-]C(=O)C[C@H]1C=CCCC1 ZINC000280087664 386778865 /nfs/dbraw/zinc/77/88/65/386778865.db2.gz SXMMRFWCLLRQNL-JTQLQIEISA-N -1 3 229.345 2.144 20 0 BEADHM CCO[N-]C(=O)CCc1ccc2ccccc2n1 ZINC000280595715 386824401 /nfs/dbraw/zinc/82/44/01/386824401.db2.gz XTNOACBJNUQGQN-UHFFFAOYSA-N -1 3 244.294 2.235 20 0 BEADHM C[C@H]1CCCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000334782332 386836860 /nfs/dbraw/zinc/83/68/60/386836860.db2.gz XCZMLQIKAZQOBA-QMMMGPOBSA-N -1 3 240.328 2.111 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)C[C@H]1C=CCC1 ZINC000293696252 386862789 /nfs/dbraw/zinc/86/27/89/386862789.db2.gz KQIOOIORXOHGRT-MNOVXSKESA-N -1 3 211.305 2.437 20 0 BEADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](F)C1 ZINC000334838215 386880115 /nfs/dbraw/zinc/88/01/15/386880115.db2.gz RTUUJPFQKDSUSC-SSDOTTSWSA-N -1 3 243.665 2.230 20 0 BEADHM CO[C@@H](C)CN(C)Cc1c(F)ccc([O-])c1F ZINC000293793381 386880148 /nfs/dbraw/zinc/88/01/48/386880148.db2.gz CRNGGGYUWBFGAF-QMMMGPOBSA-N -1 3 245.269 2.137 20 0 BEADHM CC[C@H]1CCN1C(=O)c1cc(C)ccc1[O-] ZINC000293930388 386905238 /nfs/dbraw/zinc/90/52/38/386905238.db2.gz HOGTZBFCUDREDV-JTQLQIEISA-N -1 3 219.284 2.325 20 0 BEADHM CCC1(C[N-]S(=O)(=O)c2ccco2)CCC1 ZINC000331967404 386933000 /nfs/dbraw/zinc/93/30/00/386933000.db2.gz LHYYRWACOXPHJO-UHFFFAOYSA-N -1 3 243.328 2.138 20 0 BEADHM CC[C@@H](C)[C@H](C)C(=O)NCc1ncccc1[O-] ZINC000331024236 386935829 /nfs/dbraw/zinc/93/58/29/386935829.db2.gz SGNSOPYVQCBCMV-ZJUUUORDSA-N -1 3 236.315 2.086 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)C(C)C)o1 ZINC000358431988 386956218 /nfs/dbraw/zinc/95/62/18/386956218.db2.gz VOAUEOQDSVNGNZ-VIFPVBQESA-N -1 3 245.344 2.158 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H]1C1CC1 ZINC000334888236 386960101 /nfs/dbraw/zinc/96/01/01/386960101.db2.gz CKUJITZIBHBJSP-LBPRGKRZSA-N -1 3 249.285 2.085 20 0 BEADHM O=C(c1cccc([O-])c1)N1CCC12CCC2 ZINC000334927087 387001313 /nfs/dbraw/zinc/00/13/13/387001313.db2.gz UHODTGBHFPJJJA-UHFFFAOYSA-N -1 3 217.268 2.161 20 0 BEADHM C[C@@]1(O)C[C@H](NCc2cccc([O-])c2Cl)C1 ZINC000334955623 387034063 /nfs/dbraw/zinc/03/40/63/387034063.db2.gz NJCRTOYZQIUWFC-WVSHTKLVSA-N -1 3 241.718 2.049 20 0 BEADHM C[C@]1(NC(=O)c2csc(=O)[n-]2)CC=CCC1 ZINC000333701991 387049926 /nfs/dbraw/zinc/04/99/26/387049926.db2.gz FCPXUMJZMPHNKB-NSHDSACASA-N -1 3 238.312 2.077 20 0 BEADHM Cn1c(=O)[n-]nc1SC[C@@H]1CCCC1(F)F ZINC000334969736 387053349 /nfs/dbraw/zinc/05/33/49/387053349.db2.gz ZARUPWPURRKNKO-LURJTMIESA-N -1 3 249.286 2.048 20 0 BEADHM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1c([O-])cccc1O ZINC000519106778 387011521 /nfs/dbraw/zinc/01/15/21/387011521.db2.gz ULIIAJXMMKAHEP-UTLUCORTSA-N -1 3 247.294 2.016 20 0 BEADHM CC[C@H](NC(=O)c1ccccc1[O-])[C@@H]1CCCO1 ZINC000126181189 387025218 /nfs/dbraw/zinc/02/52/18/387025218.db2.gz DPSDXGFWJXJLKR-AAEUAGOBSA-N -1 3 249.310 2.080 20 0 BEADHM C[C@@]1(C(=O)NCc2ncccc2[O-])CC=CCC1 ZINC000336273054 387106362 /nfs/dbraw/zinc/10/63/62/387106362.db2.gz UIRMYFPLGPZKRF-CQSZACIVSA-N -1 3 246.310 2.150 20 0 BEADHM CCCN(C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000085828058 387112454 /nfs/dbraw/zinc/11/24/54/387112454.db2.gz YMFNTBWYRUAPPD-MRVPVSSYSA-N -1 3 211.261 2.381 20 0 BEADHM CC[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])CCO1 ZINC000335028169 387122706 /nfs/dbraw/zinc/12/27/06/387122706.db2.gz YYIKPFOYUGLUSS-QWRGUYRKSA-N -1 3 249.310 2.080 20 0 BEADHM COC[C@@H](C)[C@@H](C)C(=O)Nc1ccccc1[O-] ZINC000359912109 387190177 /nfs/dbraw/zinc/19/01/77/387190177.db2.gz MRKUFHZDQFDYOA-NXEZZACHSA-N -1 3 237.299 2.249 20 0 BEADHM O=C(NCc1cccs1)c1c([O-])cccc1O ZINC000228854342 387134597 /nfs/dbraw/zinc/13/45/97/387134597.db2.gz FBZBNIHINJHVMK-UHFFFAOYSA-N -1 3 249.291 2.089 20 0 BEADHM CC(C)N(C(=O)c1ccccc1[O-])[C@H]1CCOC1 ZINC000336379239 387209548 /nfs/dbraw/zinc/20/95/48/387209548.db2.gz YQZBKALDZBQCLW-NSHDSACASA-N -1 3 249.310 2.032 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C2CC(F)(F)C2)n1 ZINC000336390106 387218166 /nfs/dbraw/zinc/21/81/66/387218166.db2.gz VOLXYAPGESSYDU-UHFFFAOYSA-N -1 3 242.225 2.079 20 0 BEADHM CCc1noc(C)c1[N-]C(=O)c1ncccc1F ZINC000612984967 387219835 /nfs/dbraw/zinc/21/98/35/387219835.db2.gz TZKRZEMASKMYLV-UHFFFAOYSA-N -1 3 249.245 2.332 20 0 BEADHM C[C@H]1Cc2ccccc2CN1CC1(C(=O)[O-])CC1 ZINC000572047759 387228211 /nfs/dbraw/zinc/22/82/11/387228211.db2.gz BRPXGESILNIPGN-NSHDSACASA-N -1 3 245.322 2.298 20 0 BEADHM CC(C)N(Cc1oncc1C(=O)[O-])C1CCC1 ZINC000572127701 387240336 /nfs/dbraw/zinc/24/03/36/387240336.db2.gz OXZQYMHWRHGGJE-UHFFFAOYSA-N -1 3 238.287 2.136 20 0 BEADHM CO[C@H](C(=O)Nc1cc(F)ccc1[O-])C(C)C ZINC000353780623 387274046 /nfs/dbraw/zinc/27/40/46/387274046.db2.gz QVQKAQVPOGMLCR-NSHDSACASA-N -1 3 241.262 2.141 20 0 BEADHM Cc1cc(C(=O)Nc2ncccc2[O-])ccc1O ZINC000353884119 387289513 /nfs/dbraw/zinc/28/95/13/387289513.db2.gz XMDWYWOUXIJUJR-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM CO[C@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC000373286960 387355571 /nfs/dbraw/zinc/35/55/71/387355571.db2.gz HVPYTTSDIOJWFQ-NSHDSACASA-N -1 3 249.310 2.033 20 0 BEADHM COc1cc(C(=O)N2CCC2(C)C)ccc1[O-] ZINC000525951255 387334643 /nfs/dbraw/zinc/33/46/43/387334643.db2.gz SCRDLUFGMIYUQB-UHFFFAOYSA-N -1 3 235.283 2.025 20 0 BEADHM C[C@@H](CF)NCc1cccc([O-])c1Cl ZINC000292963262 387337131 /nfs/dbraw/zinc/33/71/31/387337131.db2.gz LPTCBDBIPZIRQJ-ZETCQYMHSA-N -1 3 217.671 2.493 20 0 BEADHM CCc1cc(=O)[n-]c(CN(CC)CCC2CC2)n1 ZINC000355034909 387468669 /nfs/dbraw/zinc/46/86/69/387468669.db2.gz LKYDPTNDZSSRJF-UHFFFAOYSA-N -1 3 249.358 2.367 20 0 BEADHM C[C@@H](NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000162960883 387653718 /nfs/dbraw/zinc/65/37/18/387653718.db2.gz FBNNAAGBCGPOMK-ZCFIWIBFSA-N -1 3 231.654 2.042 20 0 BEADHM COC(=O)c1cc(-c2nc(C(C)(C)C)no2)c[n-]1 ZINC000430875754 387655515 /nfs/dbraw/zinc/65/55/15/387655515.db2.gz PDGZFMVFPLFGRQ-UHFFFAOYSA-N -1 3 249.270 2.149 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@H](C)[C@@H](C)CC)c1C ZINC000356543248 387672336 /nfs/dbraw/zinc/67/23/36/387672336.db2.gz CDNYANZFAXLGSW-IUCAKERBSA-N -1 3 237.347 2.323 20 0 BEADHM CCCCN(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448649377 387725080 /nfs/dbraw/zinc/72/50/80/387725080.db2.gz TZOXGVUFTJOCFK-UHFFFAOYSA-N -1 3 239.290 2.332 20 0 BEADHM O=C(c1ccccc1[O-])N1CCC2(CC2)CC1 ZINC000377593337 387730237 /nfs/dbraw/zinc/73/02/37/387730237.db2.gz NMTSGJYKSDTEAI-UHFFFAOYSA-N -1 3 231.295 2.408 20 0 BEADHM CO[C@H]1CCCN(C(=O)c2cccc([O-])c2)CC1 ZINC000378641413 387792436 /nfs/dbraw/zinc/79/24/36/387792436.db2.gz YAFVIFKZYOZYJF-ZDUSSCGKSA-N -1 3 249.310 2.033 20 0 BEADHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@H]1CC1(C)C ZINC000459427599 387941791 /nfs/dbraw/zinc/94/17/91/387941791.db2.gz NUNRPVJCFFHNKE-NSHDSACASA-N -1 3 247.342 2.290 20 0 BEADHM C[C@H](NCc1cc([O-])cc(F)c1)c1cn[nH]c1 ZINC000225376369 387943186 /nfs/dbraw/zinc/94/31/86/387943186.db2.gz ATVRVFGNIXIFOZ-QMMMGPOBSA-N -1 3 235.262 2.105 20 0 BEADHM CC1=CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000459444272 387943383 /nfs/dbraw/zinc/94/33/83/387943383.db2.gz NNRWKEAVTXRFKA-UHFFFAOYSA-N -1 3 245.326 2.212 20 0 BEADHM COc1ccc([O-])c(C(=O)N(C)CCC2CC2)c1 ZINC000156261571 387949323 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/nfs/dbraw/zinc/36/62/77/388366277.db2.gz PXPKQNWVLWVGCC-NXEZZACHSA-N -1 3 249.310 2.264 20 0 BEADHM CCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646578634 388388616 /nfs/dbraw/zinc/38/86/16/388388616.db2.gz WCIGDDAVCKNESN-UHFFFAOYSA-N -1 3 233.189 2.161 20 0 BEADHM CCC(CC)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646584052 388390185 /nfs/dbraw/zinc/39/01/85/388390185.db2.gz ULEMWGNMOUQRRM-UHFFFAOYSA-N -1 3 247.298 2.187 20 0 BEADHM C/C=C(/C=C/C(=O)[N-]O[C@@H]1CCCCO1)CC ZINC000492115899 388335677 /nfs/dbraw/zinc/33/56/77/388335677.db2.gz GKBSZTNPBLTCSK-BZULMRNYSA-N -1 3 239.315 2.473 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CC12CC2 ZINC000649229026 388463240 /nfs/dbraw/zinc/46/32/40/388463240.db2.gz JPOARSQPITWMPW-VIFPVBQESA-N -1 3 233.315 2.002 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000649229712 388463418 /nfs/dbraw/zinc/46/34/18/388463418.db2.gz KNAXDWRNMDFXKN-GHMZBOCLSA-N -1 3 249.358 2.494 20 0 BEADHM CC(C)(CO)CNCc1cccc([O-])c1Cl ZINC000328309464 388410461 /nfs/dbraw/zinc/41/04/61/388410461.db2.gz FTVIAAMSAXQYPO-UHFFFAOYSA-N -1 3 243.734 2.154 20 0 BEADHM CC/C=C/CNC(=O)c1ccc(OC)cc1[O-] ZINC000295916657 388415674 /nfs/dbraw/zinc/41/56/74/388415674.db2.gz IOSBFYXFUGKHKS-SNAWJCMRSA-N -1 3 235.283 2.097 20 0 BEADHM CCC1(NC(=O)c2cc(C)ccc2[O-])CC1 ZINC000296086024 388417426 /nfs/dbraw/zinc/41/74/26/388417426.db2.gz HHUPFDDKOALHEC-UHFFFAOYSA-N -1 3 219.284 2.373 20 0 BEADHM CCc1cccc(C(=O)NC(C)(C)CF)c1[O-] ZINC000548438914 388537861 /nfs/dbraw/zinc/53/78/61/388537861.db2.gz YKNJDACLUJHPNL-UHFFFAOYSA-N -1 3 239.290 2.433 20 0 BEADHM COc1ccc([O-])c(C(=O)NCCC=C(C)C)c1 ZINC000397723726 388494846 /nfs/dbraw/zinc/49/48/46/388494846.db2.gz LOLNSJPQSIWRJY-UHFFFAOYSA-N -1 3 249.310 2.487 20 0 BEADHM Cc1ccc([O-])c(C(=O)Nc2cnc(C)nc2)c1 ZINC000343322384 388499804 /nfs/dbraw/zinc/49/98/04/388499804.db2.gz NFKQUUUQDWOADP-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM CC(C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000136044516 388519982 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/nfs/dbraw/zinc/73/76/12/388737612.db2.gz GFZOSFOUMIJZAY-MWLCHTKSSA-N -1 3 219.284 2.229 20 0 BEADHM CC[C@@H](C)[C@H](C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000552999588 388744579 /nfs/dbraw/zinc/74/45/79/388744579.db2.gz OEOXBMOUKFECHF-MNOVXSKESA-N -1 3 245.326 2.377 20 0 BEADHM CC1(C)CCC[C@@H]1NC(=O)Cc1cncc([O-])c1 ZINC000553163073 388750712 /nfs/dbraw/zinc/75/07/12/388750712.db2.gz DWGXYPRVDIMBHQ-LBPRGKRZSA-N -1 3 248.326 2.025 20 0 BEADHM Cc1ncc(-c2ccc(=S)[n-]n2)s1 ZINC000575453833 388752551 /nfs/dbraw/zinc/75/25/51/388752551.db2.gz UTEKSYDVXYKINJ-UHFFFAOYSA-N -1 3 209.299 2.197 20 0 BEADHM Cc1ccc(C(=O)NC[C@@H]2CC2(C)C)c([O-])c1 ZINC000226260034 388713644 /nfs/dbraw/zinc/71/36/44/388713644.db2.gz HOPCDQAXCGFGPJ-JTQLQIEISA-N -1 3 233.311 2.477 20 0 BEADHM O=C(Nc1cccc([O-])c1F)C1CCC1 ZINC000128458528 388761917 /nfs/dbraw/zinc/76/19/17/388761917.db2.gz ODCDGDLQZDSGEY-UHFFFAOYSA-N -1 3 209.220 2.270 20 0 BEADHM O=C(Nc1cccc([O-])c1F)c1cccnc1 ZINC000128456991 388762030 /nfs/dbraw/zinc/76/20/30/388762030.db2.gz QUPNLSPDNPQIIQ-UHFFFAOYSA-N -1 3 232.214 2.179 20 0 BEADHM CCC[C@H](C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000553323653 388763415 /nfs/dbraw/zinc/76/34/15/388763415.db2.gz TVYOYPOZBFBBBK-JTQLQIEISA-N -1 3 231.299 2.131 20 0 BEADHM O=C(C1CC1)N1CCCc2cccc([O-])c21 ZINC000063063744 132388820 /nfs/dbraw/zinc/38/88/20/132388820.db2.gz OAOICRZJPNTZKR-UHFFFAOYSA-N -1 3 217.268 2.081 20 0 BEADHM Cc1cc(=O)[n-]c(C=CC=Cc2ccncc2)n1 ZINC000352025669 134042867 /nfs/dbraw/zinc/04/28/67/134042867.db2.gz FZCOZIUWDQQJAK-VOERYJCWSA-N -1 3 239.278 2.200 20 0 BEADHM CC(C)C(C)(C)CNC(=O)c1csc(=O)[n-]1 ZINC000352056994 134054073 /nfs/dbraw/zinc/05/40/73/134054073.db2.gz HTOSXQHOBXPLOT-UHFFFAOYSA-N -1 3 242.344 2.261 20 0 BEADHM C[C@H]1C[C@@H](O)CN1Cc1cccc([O-])c1Cl ZINC000336193834 134124822 /nfs/dbraw/zinc/12/48/22/134124822.db2.gz LFRPCKKKDFGZST-WCBMZHEXSA-N -1 3 241.718 2.001 20 0 BEADHM COc1ccc(C(=O)NCC2(C)CCC2)c([O-])c1 ZINC000176110397 134290647 /nfs/dbraw/zinc/29/06/47/134290647.db2.gz VLRZLLOPZWLPQO-UHFFFAOYSA-N -1 3 249.310 2.321 20 0 BEADHM O=C(Cc1ccc([O-])cc1Cl)NCC1CC1 ZINC000178236608 134305448 /nfs/dbraw/zinc/30/54/48/134305448.db2.gz RLVNFAIPOQJLSG-UHFFFAOYSA-N -1 3 239.702 2.114 20 0 BEADHM CC[C@@H](NC(=O)c1cccc([O-])c1)[C@H]1CCCO1 ZINC000182905547 134349298 /nfs/dbraw/zinc/34/92/98/134349298.db2.gz USTGNNYAAOZHNF-CHWSQXEVSA-N -1 3 249.310 2.080 20 0 BEADHM CC(C)C[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000184965776 134371977 /nfs/dbraw/zinc/37/19/77/134371977.db2.gz LNPOHGMFEHCYTH-VIFPVBQESA-N -1 3 222.288 2.408 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](C)[C@H]2CC)n1 ZINC000249440099 135038935 /nfs/dbraw/zinc/03/89/35/135038935.db2.gz LVPYMOQKYKJYMJ-ZYHUDNBSSA-N -1 3 249.358 2.365 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCSC1 ZINC000334172469 135331008 /nfs/dbraw/zinc/33/10/08/135331008.db2.gz BNOFPNZKPZLHKR-SSDOTTSWSA-N -1 3 241.287 2.223 20 0 BEADHM CC(C)C[C@@H](CNCc1ccco1)C(=O)[O-] ZINC000263096817 135332426 /nfs/dbraw/zinc/33/24/26/135332426.db2.gz VPKZSVNCSYKZKX-JTQLQIEISA-N -1 3 225.288 2.116 20 0 BEADHM CC(C)C[C@H](CNCc1ccco1)C(=O)[O-] ZINC000263096821 135332542 /nfs/dbraw/zinc/33/25/42/135332542.db2.gz VPKZSVNCSYKZKX-SNVBAGLBSA-N -1 3 225.288 2.116 20 0 BEADHM CC[C@H](N[C@@H](C)C(=O)[O-])c1cc(F)ccc1F ZINC000263165722 135336156 /nfs/dbraw/zinc/33/61/56/135336156.db2.gz PYSPZRQOCYRJBO-CPCISQLKSA-N -1 3 243.253 2.479 20 0 BEADHM CC[C@H](N[C@H](C)C(=O)[O-])c1cc(F)ccc1F ZINC000263165727 135336278 /nfs/dbraw/zinc/33/62/78/135336278.db2.gz PYSPZRQOCYRJBO-HQJQHLMTSA-N -1 3 243.253 2.479 20 0 BEADHM CC[C@H]1CCN1Cc1cccc(C(=O)[O-])c1 ZINC000263446748 135355575 /nfs/dbraw/zinc/35/55/75/135355575.db2.gz YAYGPEXNECDKJT-LBPRGKRZSA-N -1 3 219.284 2.369 20 0 BEADHM O=C([O-])C1CN(Cc2ccc3c(c2)CCCC3)C1 ZINC000263534625 135359042 /nfs/dbraw/zinc/35/90/42/135359042.db2.gz YMHSQYPDECPYDA-UHFFFAOYSA-N -1 3 245.322 2.082 20 0 BEADHM C[C@@]1(C(=O)Nc2ccccc2[O-])CCCCO1 ZINC000334551031 135691236 /nfs/dbraw/zinc/69/12/36/135691236.db2.gz WCUDSRGNRQULCO-ZDUSSCGKSA-N -1 3 235.283 2.290 20 0 BEADHM Cc1nc(C(=O)Nc2ccccc2[O-])c(C)o1 ZINC000334550354 135702778 /nfs/dbraw/zinc/70/27/78/135702778.db2.gz WODDHUNZIJGRCM-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000347869541 136016323 /nfs/dbraw/zinc/01/63/23/136016323.db2.gz MXGFDOWCGCVHLS-UHFFFAOYSA-N -1 3 212.220 2.027 20 0 BEADHM Cc1ccccc1CNCc1ncccc1[O-] ZINC000347950668 136020242 /nfs/dbraw/zinc/02/02/42/136020242.db2.gz JBGWLEPSDIRYMD-UHFFFAOYSA-N -1 3 228.295 2.385 20 0 BEADHM [O-]c1ccc(F)c(CN[C@H]2CC23CC3)c1F ZINC000335548687 136097207 /nfs/dbraw/zinc/09/72/07/136097207.db2.gz CJSLFRJBTMHADD-JTQLQIEISA-N -1 3 225.238 2.313 20 0 BEADHM CCc1cc(C(=O)N[C@@H]2CC23CC3)ccc1[O-] ZINC000335550772 136098040 /nfs/dbraw/zinc/09/80/40/136098040.db2.gz UMCWOHIXJOYZRY-GFCCVEGCSA-N -1 3 231.295 2.237 20 0 BEADHM CCc1ccc([O-])c(C(=O)NCC[C@@H](C)F)c1 ZINC000356688077 397935291 /nfs/dbraw/zinc/93/52/91/397935291.db2.gz QZBGAKICGACZHP-SECBINFHSA-N -1 3 239.290 2.433 20 0 BEADHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)C(C)C)n1 ZINC000268225970 397950095 /nfs/dbraw/zinc/95/00/95/397950095.db2.gz NNMOIBFUAXBTFC-JTQLQIEISA-N -1 3 237.347 2.221 20 0 BEADHM CS(=O)(=O)[N-]c1cc(C(F)F)ccc1F ZINC000650218172 397991474 /nfs/dbraw/zinc/99/14/74/397991474.db2.gz VDOUFYNIRAVIIK-UHFFFAOYSA-N -1 3 239.218 2.135 20 0 BEADHM COC1(C(=O)Nc2cc(F)ccc2[O-])CCC1 ZINC000272766200 397987149 /nfs/dbraw/zinc/98/71/49/397987149.db2.gz GOMGPIWQJPQIGR-UHFFFAOYSA-N -1 3 239.246 2.039 20 0 BEADHM CO[C@H](CO[N-]C(C)=O)c1ccc(Cl)cc1 ZINC000282361745 398068264 /nfs/dbraw/zinc/06/82/64/398068264.db2.gz XMKVEMLEVCFOIO-LLVKDONJSA-N -1 3 243.690 2.095 20 0 BEADHM CO[C@@H](CO[N-]C(C)=O)c1ccc(Cl)cc1 ZINC000282361748 398068305 /nfs/dbraw/zinc/06/83/05/398068305.db2.gz XMKVEMLEVCFOIO-NSHDSACASA-N -1 3 243.690 2.095 20 0 BEADHM Oc1[n-]c(SCC2=CCCC2)nc2nncc1-2 ZINC000647157178 398103990 /nfs/dbraw/zinc/10/39/90/398103990.db2.gz OCJHNCVWMOKDGI-UHFFFAOYSA-N -1 3 248.311 2.261 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)NC2(C3CCC3)CC2)n1 ZINC000649811063 398117879 /nfs/dbraw/zinc/11/78/79/398117879.db2.gz DJMQNEFWXGOZPP-JTQLQIEISA-N -1 3 247.342 2.474 20 0 BEADHM CCc1cc(=O)[n-]c(CN(CC)C2CCC2)n1 ZINC000336711400 398134382 /nfs/dbraw/zinc/13/43/82/398134382.db2.gz RDUUBDHFZBXSAI-UHFFFAOYSA-N -1 3 235.331 2.119 20 0 BEADHM CCc1ccc(C(=O)N2CC3(CC3)C2)c([O-])c1 ZINC000334874931 487577356 /nfs/dbraw/zinc/57/73/56/487577356.db2.gz WBZCHSJRMFLQGS-UHFFFAOYSA-N -1 3 231.295 2.191 20 0 BEADHM CC(C)ON=C([O-])Nc1cccc(F)c1F ZINC000296308644 167276519 /nfs/dbraw/zinc/27/65/19/167276519.db2.gz FINCXCJGUADEGW-UHFFFAOYSA-N -1 3 230.214 2.426 20 0 BEADHM CC(C)O[N-]C(=O)Nc1cccc(F)c1F ZINC000296308644 167276520 /nfs/dbraw/zinc/27/65/20/167276520.db2.gz FINCXCJGUADEGW-UHFFFAOYSA-N -1 3 230.214 2.426 20 0 BEADHM CCO[C@@H](CC)C(=O)Nc1cc(F)ccc1[O-] ZINC000536208426 487604492 /nfs/dbraw/zinc/60/44/92/487604492.db2.gz LKCJNXMIVXDWFW-NSHDSACASA-N -1 3 241.262 2.285 20 0 BEADHM Cc1oc(CN2CC3CC2(C)C3)cc1C(=O)[O-] ZINC000663314869 410108281 /nfs/dbraw/zinc/10/82/81/410108281.db2.gz BMFLBNZNVOKEEG-UHFFFAOYSA-N -1 3 235.283 2.271 20 0 BEADHM CCC[C@@H](CC)NC(=O)Cc1cncc([O-])c1 ZINC000655390865 410195264 /nfs/dbraw/zinc/19/52/64/410195264.db2.gz STYSZJCGSZAXPL-LLVKDONJSA-N -1 3 236.315 2.025 20 0 BEADHM CCO[N-]C(=O)C[C@H](C)c1cccc(F)c1 ZINC000116169435 410264061 /nfs/dbraw/zinc/26/40/61/410264061.db2.gz IRUVEUISDVROLI-VIFPVBQESA-N -1 3 225.263 2.387 20 0 BEADHM CC(C)O[N-]C(=O)CCc1ccccc1 ZINC000294294721 167273570 /nfs/dbraw/zinc/27/35/70/167273570.db2.gz ZLOMLHSJQXNKAD-UHFFFAOYSA-N -1 3 207.273 2.075 20 0 BEADHM CC(C)O[N-]C(=O)/C=C/c1ccc(Cl)nc1 ZINC000297187531 167274314 /nfs/dbraw/zinc/27/43/14/167274314.db2.gz LMGVVAKTAXIQOH-GQCTYLIASA-N -1 3 240.690 2.204 20 0 BEADHM CC(C)ON=C([O-])Nc1ccc(Cl)nc1 ZINC000296268765 167275497 /nfs/dbraw/zinc/27/54/97/167275497.db2.gz IFNFLNXNTNUADH-UHFFFAOYSA-N -1 3 229.667 2.197 20 0 BEADHM CC(C)O[N-]C(=O)Nc1ccc(Cl)nc1 ZINC000296268765 167275498 /nfs/dbraw/zinc/27/54/98/167275498.db2.gz IFNFLNXNTNUADH-UHFFFAOYSA-N -1 3 229.667 2.197 20 0 BEADHM CC(C)ONC(=O)c1cc([O-])ccc1Cl ZINC000294172076 167279655 /nfs/dbraw/zinc/27/96/55/167279655.db2.gz RMVKLYSBRLLCQZ-UHFFFAOYSA-N -1 3 229.663 2.115 20 0 BEADHM C[C@H](CCO)N(C)Cc1cccc([O-])c1Cl ZINC000652049459 411096043 /nfs/dbraw/zinc/09/60/43/411096043.db2.gz HZUAOQDQMXPWEL-SECBINFHSA-N -1 3 243.734 2.248 20 0 BEADHM Cc1ccc([O-])c(CN2CCC[C@@H](F)C2)n1 ZINC000652077283 411109621 /nfs/dbraw/zinc/10/96/21/411109621.db2.gz YDUIGTXLDWTWNI-SNVBAGLBSA-N -1 3 224.279 2.030 20 0 BEADHM Cc1ccc([O-])c(CN2CCC[C@H](F)C2)n1 ZINC000652077282 411109669 /nfs/dbraw/zinc/10/96/69/411109669.db2.gz YDUIGTXLDWTWNI-JTQLQIEISA-N -1 3 224.279 2.030 20 0 BEADHM C[C@H](CNCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000656097018 411175252 /nfs/dbraw/zinc/17/52/52/411175252.db2.gz REPPMVXSUJYNMY-SSDOTTSWSA-N -1 3 245.681 2.289 20 0 BEADHM Cc1ccc(CN(CC(=O)[O-])C2CCC2)s1 ZINC000656100162 411178350 /nfs/dbraw/zinc/17/83/50/411178350.db2.gz GATZLDRDUXFBPU-UHFFFAOYSA-N -1 3 239.340 2.496 20 0 BEADHM Cc1oc(CN(C)C[C@@H]2C[C@@H]2C)cc1C(=O)[O-] ZINC000111733450 411178397 /nfs/dbraw/zinc/17/83/97/411178397.db2.gz AAOXGNJRFKXEQH-WPRPVWTQSA-N -1 3 237.299 2.374 20 0 BEADHM Cc1oc(CN(C)C[C@H]2C[C@@H]2C)cc1C(=O)[O-] ZINC000111733452 411178688 /nfs/dbraw/zinc/17/86/88/411178688.db2.gz AAOXGNJRFKXEQH-WCBMZHEXSA-N -1 3 237.299 2.374 20 0 BEADHM CC[C@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000309599506 411179419 /nfs/dbraw/zinc/17/94/19/411179419.db2.gz JPOFVPORAYCQJI-JTQLQIEISA-N -1 3 245.681 2.432 20 0 BEADHM Cn1c(=O)[n-]nc1SCCC(C)(C)C1CC1 ZINC000655666092 411214285 /nfs/dbraw/zinc/21/42/85/411214285.db2.gz KPQKWJBVOIHCLM-UHFFFAOYSA-N -1 3 241.360 2.439 20 0 BEADHM CCCN(C)[C@@H](C(=O)[O-])c1ccccc1F ZINC000652386708 411224357 /nfs/dbraw/zinc/22/43/57/411224357.db2.gz FPKOQGNDYFEUPJ-LLVKDONJSA-N -1 3 225.263 2.293 20 0 BEADHM CCN(C(=O)c1cccc([O-])c1)[C@H]1CCCOC1 ZINC000402686919 411327238 /nfs/dbraw/zinc/32/72/38/411327238.db2.gz KAGSGIKASFIPKT-LBPRGKRZSA-N -1 3 249.310 2.033 20 0 BEADHM CCN(C(=O)c1ccccc1[O-])[C@H]1CCCOC1 ZINC000402686723 411308451 /nfs/dbraw/zinc/30/84/51/411308451.db2.gz JWHJOPNVIFWOMQ-NSHDSACASA-N -1 3 249.310 2.033 20 0 BEADHM COc1ccc([O-])c(C(=O)NC2(C)CC=CC2)c1 ZINC000654007061 411310708 /nfs/dbraw/zinc/31/07/08/411310708.db2.gz RAWFPVBGTDBPCP-UHFFFAOYSA-N -1 3 247.294 2.239 20 0 BEADHM Cc1ncccc1CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000652488747 411257680 /nfs/dbraw/zinc/25/76/80/411257680.db2.gz HOSUZXJSARMLCV-SNVBAGLBSA-N -1 3 248.326 2.075 20 0 BEADHM Cc1ccc(CN(C[C@@H](C)C(=O)[O-])C2CC2)nc1 ZINC000652488815 411258332 /nfs/dbraw/zinc/25/83/32/411258332.db2.gz NDEANWWNIKRVOH-LLVKDONJSA-N -1 3 248.326 2.075 20 0 BEADHM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc([O-])c1 ZINC000403613429 411351784 /nfs/dbraw/zinc/35/17/84/411351784.db2.gz JLHHJDKVUPBJBE-YUSALJHKSA-N -1 3 231.295 2.311 20 0 BEADHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccccc1[O-] ZINC000403611528 411351884 /nfs/dbraw/zinc/35/18/84/411351884.db2.gz IVHNOKKZSZHRLC-GARJFASQSA-N -1 3 231.295 2.311 20 0 BEADHM CC[C@@H]1CN(CCCCC(=O)[O-])[C@H](CC)CO1 ZINC000403901216 411365391 /nfs/dbraw/zinc/36/53/91/411365391.db2.gz VMBVCVXDJDCHSO-VXGBXAGGSA-N -1 3 243.347 2.131 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CCC=C(C)C2)c1 ZINC000230812947 168096370 /nfs/dbraw/zinc/09/63/70/168096370.db2.gz XHXFCFBVOSLMGP-UHFFFAOYSA-N -1 3 231.295 2.493 20 0 BEADHM Cc1[n-]n(-c2ccncc2)c(=O)c1C(C)C ZINC000104094132 168135212 /nfs/dbraw/zinc/13/52/12/168135212.db2.gz PKHLTQPYLMNUGK-LLVKDONJSA-N -1 3 217.272 2.076 20 0 BEADHM CCC(C)(C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000263794413 168270318 /nfs/dbraw/zinc/27/03/18/168270318.db2.gz YZCWQZUCADZSNA-UHFFFAOYSA-N -1 3 248.286 2.439 20 0 BEADHM CCC(C)(C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000263794413 168270319 /nfs/dbraw/zinc/27/03/19/168270319.db2.gz YZCWQZUCADZSNA-UHFFFAOYSA-N -1 3 248.286 2.439 20 0 BEADHM CCC(C)(C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000263794413 168270322 /nfs/dbraw/zinc/27/03/22/168270322.db2.gz YZCWQZUCADZSNA-UHFFFAOYSA-N -1 3 248.286 2.439 20 0 BEADHM Cc1oc(CN2CC[C@@H]3C[C@@H]3C2)cc1C(=O)[O-] ZINC000659800736 411457602 /nfs/dbraw/zinc/45/76/02/411457602.db2.gz XDAJCGPNNRHGLE-NXEZZACHSA-N -1 3 235.283 2.128 20 0 BEADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H]2C[C@@H]2C1 ZINC000659800403 411458287 /nfs/dbraw/zinc/45/82/87/411458287.db2.gz SEXRRRXYVSRESN-OPRDCNLKSA-N -1 3 235.283 2.381 20 0 BEADHM O=C([O-])c1ccc(CN2CC[C@H]3C[C@H]3C2)s1 ZINC000659800367 411458421 /nfs/dbraw/zinc/45/84/21/411458421.db2.gz RTVJBKVPEQZVJQ-IUCAKERBSA-N -1 3 237.324 2.288 20 0 BEADHM O=S(=O)([N-]CCCC1CCC1)c1ccco1 ZINC000657158114 411412820 /nfs/dbraw/zinc/41/28/20/411412820.db2.gz VFEFPUJISZUWTO-UHFFFAOYSA-N -1 3 243.328 2.138 20 0 BEADHM CC[C@](C)([N-]S(=O)(=O)c1ccco1)C1CC1 ZINC000657178510 411416208 /nfs/dbraw/zinc/41/62/08/411416208.db2.gz MVSGSCGMZNLKEI-NSHDSACASA-N -1 3 243.328 2.137 20 0 BEADHM CC1(CCNC(=O)c2ccccc2[O-])CC1 ZINC000436843533 411426002 /nfs/dbraw/zinc/42/60/02/411426002.db2.gz IKXGPZWTXVPCIJ-UHFFFAOYSA-N -1 3 219.284 2.312 20 0 BEADHM CCN(C[C@@H]1CCCO1)C(=O)c1cccc([O-])c1 ZINC000042471119 169886264 /nfs/dbraw/zinc/88/62/64/169886264.db2.gz PIEVGBRKBFQNKL-ZDUSSCGKSA-N -1 3 249.310 2.033 20 0 BEADHM COc1ccc(C(=O)[N-]c2c(C)noc2C)o1 ZINC000653595682 411431451 /nfs/dbraw/zinc/43/14/51/411431451.db2.gz QOGQBQOPDUCEDM-UHFFFAOYSA-N -1 3 236.227 2.145 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@H](C)C(C)C)n1 ZINC000273345949 411436607 /nfs/dbraw/zinc/43/66/07/411436607.db2.gz BFAPCYLWQXDRGR-SECBINFHSA-N -1 3 222.288 2.326 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)C(C)C)n1 ZINC000273345950 411436730 /nfs/dbraw/zinc/43/67/30/411436730.db2.gz BFAPCYLWQXDRGR-VIFPVBQESA-N -1 3 222.288 2.326 20 0 BEADHM O=S(=O)([N-]C1CCCCCC1)c1ccco1 ZINC000275474033 411440880 /nfs/dbraw/zinc/44/08/80/411440880.db2.gz MJQOBWWJVHKRCR-UHFFFAOYSA-N -1 3 243.328 2.281 20 0 BEADHM CCc1cc([N-]C(=O)c2ccc(OC)o2)no1 ZINC000654823470 411451607 /nfs/dbraw/zinc/45/16/07/411451607.db2.gz IQRQUQTYLSCVIK-UHFFFAOYSA-N -1 3 236.227 2.091 20 0 BEADHM CCO[N-]C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000112859235 170467139 /nfs/dbraw/zinc/46/71/39/170467139.db2.gz FUHOBFQNXWCUHN-NXEZZACHSA-N -1 3 241.237 2.136 20 0 BEADHM CC(C)=CCNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660745106 411620205 /nfs/dbraw/zinc/62/02/05/411620205.db2.gz JYRXQERORZUFBM-UHFFFAOYSA-N -1 3 235.331 2.282 20 0 BEADHM Cc1cc(=O)[n-]c(C(C)(C)N[C@@H]2C=CCCC2)n1 ZINC000660745674 411620545 /nfs/dbraw/zinc/62/05/45/411620545.db2.gz FVIXVANLRRUDFK-LLVKDONJSA-N -1 3 247.342 2.424 20 0 BEADHM COC1(COc2ccc3c([O-])coc3c2)CCC1 ZINC000664136853 411868055 /nfs/dbraw/zinc/86/80/55/411868055.db2.gz WDJUPZDDSUDKIN-UHFFFAOYSA-N -1 3 248.278 2.210 20 0 BEADHM CCCC=Cc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000664912423 412044496 /nfs/dbraw/zinc/04/44/96/412044496.db2.gz YXLSWRYFJPCWIO-PLNGDYQASA-N -1 3 232.243 2.046 20 0 BEADHM CC[C@@H]1CN(Cc2cc([O-])cc(F)c2)CCO1 ZINC000184147924 171088725 /nfs/dbraw/zinc/08/87/25/171088725.db2.gz IZECISLLFCHBJY-CYBMUJFWSA-N -1 3 239.290 2.142 20 0 BEADHM CC[C@@H]1CO[C@H](C)CN1C(=O)c1cccc([O-])c1 ZINC000042451913 171112538 /nfs/dbraw/zinc/11/25/38/171112538.db2.gz APZAICFHFONZRK-ZYHUDNBSSA-N -1 3 249.310 2.032 20 0 BEADHM CC[C@@](C)(OC)C(=O)Nc1cc(F)ccc1[O-] ZINC000281545978 171191697 /nfs/dbraw/zinc/19/16/97/171191697.db2.gz SKOLHEVVNZKNFJ-GFCCVEGCSA-N -1 3 241.262 2.285 20 0 BEADHM CC[C@@](C)(OC)C(=O)Nc1ccccc1[O-] ZINC000170229235 171192086 /nfs/dbraw/zinc/19/20/86/171192086.db2.gz NVJXMSDRWWFVPM-GFCCVEGCSA-N -1 3 223.272 2.146 20 0 BEADHM CC[C@@]1(C)CN(C(=O)c2ccccc2[O-])CCO1 ZINC000135273283 171202570 /nfs/dbraw/zinc/20/25/70/171202570.db2.gz FWTLFTXHNUBENQ-AWEZNQCLSA-N -1 3 249.310 2.033 20 0 BEADHM CC[C@H](C(=O)[O-])N1CCc2cc(F)ccc2C1 ZINC000263582399 171237464 /nfs/dbraw/zinc/23/74/64/171237464.db2.gz YPCKGKZNJILFTF-GFCCVEGCSA-N -1 3 237.274 2.047 20 0 BEADHM CO[C@@H]1CC[C@H](C(=O)Nc2ccc(C)cc2[O-])C1 ZINC000665203121 412136442 /nfs/dbraw/zinc/13/64/42/412136442.db2.gz XVSUHVYPVUFSOZ-WDEREUQCSA-N -1 3 249.310 2.454 20 0 BEADHM Cc1ccoc1CNC[C@@H](C(=O)[O-])C1CCC1 ZINC000665361411 412286700 /nfs/dbraw/zinc/28/67/00/412286700.db2.gz OYVVPINQIHFFPW-LLVKDONJSA-N -1 3 237.299 2.179 20 0 BEADHM CCc1nnc(NC(=O)c2cccc([O-])c2)s1 ZINC000039759356 172058788 /nfs/dbraw/zinc/05/87/88/172058788.db2.gz ZUJVDJYHMDLIBM-UHFFFAOYSA-N -1 3 249.295 2.058 20 0 BEADHM CCc1noc(-c2cccc(OC)c2[O-])n1 ZINC000082644434 172071934 /nfs/dbraw/zinc/07/19/34/172071934.db2.gz RQOIBTGFCLWYOQ-UHFFFAOYSA-N -1 3 220.228 2.013 20 0 BEADHM CCn1ccnc1C[N-]c1nc(C(C)C)no1 ZINC000271978660 172225984 /nfs/dbraw/zinc/22/59/84/172225984.db2.gz YLMIDIPWGHMPGC-UHFFFAOYSA-N -1 3 235.291 2.022 20 0 BEADHM CCn1nc(C)c([N-]c2nnc(C)c(C)n2)c1C ZINC000359578664 172248812 /nfs/dbraw/zinc/24/88/12/172248812.db2.gz PNPLJGDAKDVBMV-UHFFFAOYSA-N -1 3 246.318 2.065 20 0 BEADHM COCCCO[N-]C(=O)Nc1ccc(C)cc1 ZINC000285496673 174254813 /nfs/dbraw/zinc/25/48/13/174254813.db2.gz CKABRKGULGBTMX-UHFFFAOYSA-N -1 3 238.287 2.085 20 0 BEADHM COc1ccc(C(=O)N2CC[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000177021556 175057410 /nfs/dbraw/zinc/05/74/10/175057410.db2.gz SCNIESYIKZRMEI-ZJUUUORDSA-N -1 3 249.310 2.271 20 0 BEADHM COc1ccc(CCC(=O)[N-]OC(C)C)cc1 ZINC000294269222 175088656 /nfs/dbraw/zinc/08/86/56/175088656.db2.gz XUUCWAUAHRCYLS-UHFFFAOYSA-N -1 3 237.299 2.084 20 0 BEADHM COc1ccc(NC(=O)CC2CC2)c([O-])c1 ZINC000135420080 175141322 /nfs/dbraw/zinc/14/13/22/175141322.db2.gz GPBPGZUMTYJDDJ-UHFFFAOYSA-N -1 3 221.256 2.139 20 0 BEADHM COc1cccc(C(=O)N2CC[C@H](C)[C@@H]2C)c1[O-] ZINC000177065363 175243787 /nfs/dbraw/zinc/24/37/87/175243787.db2.gz AKKOYHSYLYGMJA-UWVGGRQHSA-N -1 3 249.310 2.271 20 0 BEADHM COc1ccccc1CCC(=O)[N-]OC(C)C ZINC000294078628 175322208 /nfs/dbraw/zinc/32/22/08/175322208.db2.gz LJUJTLLWUHKDNJ-UHFFFAOYSA-N -1 3 237.299 2.084 20 0 BEADHM C[C@@H]1CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000036926563 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ZINC000492851545 226066846 /nfs/dbraw/zinc/06/68/46/226066846.db2.gz IZIPKAUVDRRDOA-ARJAWSKDSA-N -1 3 238.312 2.004 20 0 BEADHM O=C(/C=C/c1cscn1)[N-]OC1CCCC1 ZINC000492920965 226084487 /nfs/dbraw/zinc/08/44/87/226084487.db2.gz JAGQXUBJTNKISP-AATRIKPKSA-N -1 3 238.312 2.147 20 0 BEADHM Cn1ccc(/C=C\C(=O)Nc2ccccc2[O-])c1 ZINC000493247747 226165193 /nfs/dbraw/zinc/16/51/93/226165193.db2.gz DSWKCZOGGXDSDL-SREVYHEPSA-N -1 3 242.278 2.383 20 0 BEADHM CN(C(=O)/C=C\c1cncc([O-])c1)[C@H]1CC1(C)C ZINC000493369918 226197602 /nfs/dbraw/zinc/19/76/02/226197602.db2.gz OMAHLJHZINSVNK-RXNFCKPNSA-N -1 3 246.310 2.057 20 0 BEADHM CN(C(=O)/C=C/c1cncc([O-])c1)[C@@H]1CC1(C)C ZINC000493369919 226197813 /nfs/dbraw/zinc/19/78/13/226197813.db2.gz OMAHLJHZINSVNK-ZYOFXKKJSA-N -1 3 246.310 2.057 20 0 BEADHM O=C(/C=C\c1ccc(F)cc1)[N-]OC1CCC1 ZINC000493772783 226253573 /nfs/dbraw/zinc/25/35/73/226253573.db2.gz SYNUTNMXVHMHOA-TWGQIWQCSA-N -1 3 235.258 2.439 20 0 BEADHM O=C([O-])[C@H]1CN(CC2CC2)Cc2ccccc21 ZINC000087612408 487670417 /nfs/dbraw/zinc/67/04/17/487670417.db2.gz LAFKILLKPSHSNB-ZDUSSCGKSA-N -1 3 231.295 2.080 20 0 BEADHM CCCCc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000351463776 487671191 /nfs/dbraw/zinc/67/11/91/487671191.db2.gz PKJQBUIKZGLQCH-UHFFFAOYSA-N -1 3 243.270 2.351 20 0 BEADHM O=C(/C=C\c1cncc([O-])c1)NCC1CCCC1 ZINC000492365257 262916368 /nfs/dbraw/zinc/91/63/68/262916368.db2.gz PWLLVQTUBVEFOD-WAYWQWQTSA-N -1 3 246.310 2.107 20 0 BEADHM O=C([O-])[C@@H]1CN(CCC2CC2)Cc2ccccc21 ZINC000088491631 487729824 /nfs/dbraw/zinc/72/98/24/487729824.db2.gz QMUDLVJOPLYQQA-CQSZACIVSA-N -1 3 245.322 2.471 20 0 BEADHM Cc1cccc(C(=O)N2CCC[C@H]3C[C@H]32)c1[O-] ZINC000672130846 487750923 /nfs/dbraw/zinc/75/09/23/487750923.db2.gz WXMTYDKVNNLHJX-CMPLNLGQSA-N -1 3 231.295 2.325 20 0 BEADHM [O-]c1coc2cc(OCCOC3CCC3)ccc12 ZINC000666189646 487752125 /nfs/dbraw/zinc/75/21/25/487752125.db2.gz RSSLSOJZFWJDBL-UHFFFAOYSA-N -1 3 248.278 2.210 20 0 BEADHM COCCC(C)(C)C(=O)[N-]OC1CCCC1 ZINC000759172836 585364756 /nfs/dbraw/zinc/36/47/56/585364756.db2.gz IYSFESSUXVVKFY-UHFFFAOYSA-N -1 3 229.320 2.040 20 0 BEADHM O=C(c1ccccc1[O-])N1CCC[C@H]2C[C@H]21 ZINC000672134766 487800736 /nfs/dbraw/zinc/80/07/36/487800736.db2.gz LNKNXIBDLBTEPL-GXSJLCMTSA-N -1 3 217.268 2.017 20 0 BEADHM CC(C)OCCO[N-]C(=O)C1(C)CCCC1 ZINC000795063438 586068100 /nfs/dbraw/zinc/06/81/00/586068100.db2.gz DIWMQNAQXHHMLP-UHFFFAOYSA-N -1 3 229.320 2.040 20 0 BEADHM CSCCO[N-]C(=O)[C@H]1C[C@]1(C)C(C)C ZINC000794196224 586034998 /nfs/dbraw/zinc/03/49/98/586034998.db2.gz VVKRRLVUDDBAOP-MWLCHTKSSA-N -1 3 231.361 2.079 20 0 BEADHM O=C([N-]OCC(F)F)[C@@H]1CCCC(F)(F)C1 ZINC000800536015 586224816 /nfs/dbraw/zinc/22/48/16/586224816.db2.gz KRVFISIGIIAZEI-ZCFIWIBFSA-N -1 3 243.200 2.125 20 0 BEADHM CCCO[N-]C(=O)/C=C\c1cccs1 ZINC000844080369 588161660 /nfs/dbraw/zinc/16/16/60/588161660.db2.gz QSDQHSRDFDOYIS-WAYWQWQTSA-N -1 3 211.286 2.219 20 0 BEADHM CCOC([O-])=NOCCOc1cccc(C)c1 ZINC000496794647 529083161 /nfs/dbraw/zinc/08/31/61/529083161.db2.gz 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ROKNZGFHXROAOO-UHFFFAOYSA-N -1 3 245.282 2.169 20 0 BEADHM CC(=O)c1ccc(C(=O)NC2(C)CCC2)cc1[O-] ZINC000561299310 322999001 /nfs/dbraw/zinc/99/90/01/322999001.db2.gz ICEBYDYOJZVGOK-UHFFFAOYSA-N -1 3 247.294 2.267 20 0 BEADHM CC(C)(O)CCC(=O)Nc1cccc([O-])c1F ZINC000562344452 323016886 /nfs/dbraw/zinc/01/68/86/323016886.db2.gz DAQZZVMPTSNCSU-UHFFFAOYSA-N -1 3 241.262 2.021 20 0 BEADHM [O-]c1cccnc1CS[C@H]1CCCOC1 ZINC000562474278 323021303 /nfs/dbraw/zinc/02/13/03/323021303.db2.gz FKHVWMQLRCSLOT-VIFPVBQESA-N -1 3 225.313 2.199 20 0 BEADHM COc1ccc(C(=O)N(C)C2CCC2)c([O-])c1 ZINC000135044861 323026533 /nfs/dbraw/zinc/02/65/33/323026533.db2.gz FIGSLBMEWUYLKN-UHFFFAOYSA-N -1 3 235.283 2.025 20 0 BEADHM O=C(Cc1ccc([O-])cc1Cl)N1CCCC1 ZINC000136049426 323030875 /nfs/dbraw/zinc/03/08/75/323030875.db2.gz LOYLXUOIXHEZKY-UHFFFAOYSA-N -1 3 239.702 2.211 20 0 BEADHM CC1(CNC(=O)Cc2cncc([O-])c2)CCCC1 ZINC000569743879 323039532 /nfs/dbraw/zinc/03/95/32/323039532.db2.gz OMIFAWCIPPFVRV-UHFFFAOYSA-N -1 3 248.326 2.026 20 0 BEADHM O=C([O-])c1coc(CN2C[C@H]3CCC[C@@H]3C2)c1 ZINC000159992308 323057138 /nfs/dbraw/zinc/05/71/38/323057138.db2.gz XDTDAYJGOCFRBG-NXEZZACHSA-N -1 3 235.283 2.210 20 0 BEADHM CC[C@H]1CCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000160604193 323073436 /nfs/dbraw/zinc/07/34/36/323073436.db2.gz KARLGAZTSMXPHB-JTQLQIEISA-N -1 3 234.299 2.012 20 0 BEADHM Cc1cccc(C(=O)NC2(CF)CCC2)c1[O-] ZINC000563195742 323101137 /nfs/dbraw/zinc/10/11/37/323101137.db2.gz QIPGXCITDTZNPX-UHFFFAOYSA-N -1 3 237.274 2.323 20 0 BEADHM CC(C)(O)CCSCc1ncccc1[O-] ZINC000563441293 323126663 /nfs/dbraw/zinc/12/66/63/323126663.db2.gz ZVXJQYFRCGTBNW-UHFFFAOYSA-N -1 3 227.329 2.181 20 0 BEADHM C[C@H]1OCC[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000094178763 323188587 /nfs/dbraw/zinc/18/85/87/323188587.db2.gz DUFXAGBNKDZTLX-KCJUWKMLSA-N -1 3 246.266 2.335 20 0 BEADHM COc1ccc(C(=O)N2[C@@H](C)CC[C@@H]2C)c([O-])c1 ZINC000162307671 323605039 /nfs/dbraw/zinc/60/50/39/323605039.db2.gz LORCAKUIMBMDIB-UWVGGRQHSA-N -1 3 249.310 2.414 20 0 BEADHM Cc1ccc(/C=C/C(=O)Nc2ncccc2[O-])o1 ZINC000122605523 324050244 /nfs/dbraw/zinc/05/02/44/324050244.db2.gz DNCLTNUJCZHOES-VOTSOKGWSA-N -1 3 244.250 2.341 20 0 BEADHM [O-]C(=NOCC1CC1)Nc1cccc2c1OCC2 ZINC000529198146 324258789 /nfs/dbraw/zinc/25/87/89/324258789.db2.gz IMPXRRMKGMPILK-UHFFFAOYSA-N -1 3 248.282 2.085 20 0 BEADHM O=C([N-]OCC1CC1)Nc1cccc2c1OCC2 ZINC000529198146 324258792 /nfs/dbraw/zinc/25/87/92/324258792.db2.gz IMPXRRMKGMPILK-UHFFFAOYSA-N -1 3 248.282 2.085 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@H]2[C@H](C3CC3)[C@@H]2C)n1 ZINC000529203194 324259313 /nfs/dbraw/zinc/25/93/13/324259313.db2.gz NLHIKMYISVJFHN-KPXOXKRLSA-N -1 3 246.310 2.326 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H]2[C@@H](C)[C@@H]2C2CC2)n1 ZINC000529203195 324259538 /nfs/dbraw/zinc/25/95/38/324259538.db2.gz NLHIKMYISVJFHN-XXILOJSOSA-N -1 3 246.310 2.326 20 0 BEADHM COCCCCC[S@](=O)c1ccc([O-])cc1 ZINC000128636561 324861779 /nfs/dbraw/zinc/86/17/79/324861779.db2.gz NKGZFDRSEAJNQI-MRXNPFEDSA-N -1 3 242.340 2.317 20 0 BEADHM COc1ccc(C(=O)N[C@H](C)CC2CC2)c([O-])c1 ZINC000070104947 324994403 /nfs/dbraw/zinc/99/44/03/324994403.db2.gz LMCGNDZPGVRPPI-SECBINFHSA-N -1 3 249.310 2.319 20 0 BEADHM CC[C@H]1CO[C@@H](C)CN1CCCCCC(=O)[O-] ZINC000071286366 325066577 /nfs/dbraw/zinc/06/65/77/325066577.db2.gz PRIKVAYLWAEIGR-RYUDHWBXSA-N -1 3 243.347 2.131 20 0 BEADHM CC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000131253420 325130279 /nfs/dbraw/zinc/13/02/79/325130279.db2.gz VOZUMNUDZYBGGN-JTQLQIEISA-N -1 3 219.284 2.264 20 0 BEADHM CCO[N-]C(=O)/C=C/c1nc2ccccc2s1 ZINC000073083370 325188424 /nfs/dbraw/zinc/18/84/24/325188424.db2.gz AAJYHXGSOULRMQ-BQYQJAHWSA-N -1 3 248.307 2.377 20 0 BEADHM O=S(=O)([N-]c1cncc2ccccc21)C1CC1 ZINC000546537109 325286630 /nfs/dbraw/zinc/28/66/30/325286630.db2.gz CTEIYCDSJJWERN-UHFFFAOYSA-N -1 3 248.307 2.139 20 0 BEADHM Cc1cccc(C(=O)Nc2ncccc2[O-])c1O ZINC000078227603 325410247 /nfs/dbraw/zinc/41/02/47/325410247.db2.gz YYZYRROWXQOARZ-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM Cc1noc(C)c1C=Cc1nc(C)cc(=O)[n-]1 ZINC000550006968 325521424 /nfs/dbraw/zinc/52/14/24/325521424.db2.gz LDMNKJDSWUSKJK-SNAWJCMRSA-N -1 3 231.255 2.266 20 0 BEADHM Cc1ccc2nccc(NC[C@@H](C)C(=O)[O-])c2c1 ZINC000566296833 326030088 /nfs/dbraw/zinc/03/00/88/326030088.db2.gz ILVGLAFAFRWICS-SNVBAGLBSA-N -1 3 244.294 2.098 20 0 BEADHM O=C([O-])c1cnccc1NCCCC1CC1 ZINC000156851394 326245236 /nfs/dbraw/zinc/24/52/36/326245236.db2.gz HPQZBCVOBMUKRV-UHFFFAOYSA-N -1 3 220.272 2.382 20 0 BEADHM C[C@@H]1CCCN1[C@@H](C(=O)[O-])c1ccsc1 ZINC000034544384 487977176 /nfs/dbraw/zinc/97/71/76/487977176.db2.gz KVXNVGLDHIFFKQ-PSASIEDQSA-N -1 3 225.313 2.358 20 0 BEADHM CCO[N-]C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000112859240 488018361 /nfs/dbraw/zinc/01/83/61/488018361.db2.gz FUHOBFQNXWCUHN-UWVGGRQHSA-N -1 3 241.237 2.136 20 0 BEADHM CCO[N-]C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000112859237 488018909 /nfs/dbraw/zinc/01/89/09/488018909.db2.gz FUHOBFQNXWCUHN-ZJUUUORDSA-N -1 3 241.237 2.136 20 0 BEADHM CCC[C@@H](O)CC(=O)Nc1ccc(C)cc1[O-] ZINC000677502792 488051302 /nfs/dbraw/zinc/05/13/02/488051302.db2.gz SEFIZTQXBWWMHW-SNVBAGLBSA-N -1 3 237.299 2.190 20 0 BEADHM CC[C@@H](C(=O)[O-])N1CC[C@@H]1c1cccc(F)c1 ZINC000682852973 488054134 /nfs/dbraw/zinc/05/41/34/488054134.db2.gz KQUCLTBCBPFMLQ-NWDGAFQWSA-N -1 3 237.274 2.436 20 0 BEADHM O=C([O-])CCCCNCc1cc(F)ccc1F ZINC000236417601 488059738 /nfs/dbraw/zinc/05/97/38/488059738.db2.gz MVFPMHDRYAUQBG-UHFFFAOYSA-N -1 3 243.253 2.309 20 0 BEADHM Cc1ncccc1CN1CCC[C@H](CC(=O)[O-])C1 ZINC000257639517 488075350 /nfs/dbraw/zinc/07/53/50/488075350.db2.gz BAYQJBXPNSKHKA-GFCCVEGCSA-N -1 3 248.326 2.077 20 0 BEADHM CCC[C@H](O)CC(=O)Nc1cc(F)ccc1[O-] ZINC000677589913 488081399 /nfs/dbraw/zinc/08/13/99/488081399.db2.gz PXIHLMOMEXTMIQ-VIFPVBQESA-N -1 3 241.262 2.021 20 0 BEADHM O=C([N-]c1cnoc1)c1scnc1C1CC1 ZINC000677661672 488090191 /nfs/dbraw/zinc/09/01/91/488090191.db2.gz AZWABYLDNWAIGN-UHFFFAOYSA-N -1 3 235.268 2.261 20 0 BEADHM CCCn1c(=O)[n-]nc1SCC1CC=CC1 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/nfs/dbraw/zinc/21/09/41/488210941.db2.gz CMCUDVJZYYHJKW-MRVPVSSYSA-N -1 3 223.272 2.381 20 0 BEADHM Cc1cccc(C(=O)N(C)c2nccs2)c1[O-] ZINC000078785162 488229524 /nfs/dbraw/zinc/22/95/24/488229524.db2.gz YJMCWBPINOEBHH-UHFFFAOYSA-N -1 3 248.307 2.434 20 0 BEADHM CCc1cccc(C(=O)N[C@@H]2C[C@H]2C)c1[O-] ZINC000671920152 488233480 /nfs/dbraw/zinc/23/34/80/488233480.db2.gz IDSWHQNWKBOLRK-LDYMZIIASA-N -1 3 219.284 2.093 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)C2CCC2)o1 ZINC000678619366 488273220 /nfs/dbraw/zinc/27/32/20/488273220.db2.gz VRADLHOFSSIAOU-VIFPVBQESA-N -1 3 243.328 2.055 20 0 BEADHM Cc1ccc([O-])c(CN2CC[C@H](C)[C@@H](F)C2)n1 ZINC000679359884 488345752 /nfs/dbraw/zinc/34/57/52/488345752.db2.gz ROTXTOOWUGRRNX-ONGXEEELSA-N -1 3 238.306 2.276 20 0 BEADHM Cc1ccc([O-])c(CN2CC[C@@H](C)[C@@H](F)C2)n1 ZINC000679359882 488346027 /nfs/dbraw/zinc/34/60/27/488346027.db2.gz ROTXTOOWUGRRNX-KOLCDFICSA-N -1 3 238.306 2.276 20 0 BEADHM Cc1occc1CNC(=O)c1cccc([O-])c1 ZINC000679632812 488360856 /nfs/dbraw/zinc/36/08/56/488360856.db2.gz AOZRPCKMFKNSDF-UHFFFAOYSA-N -1 3 231.251 2.224 20 0 BEADHM COc1cc(C(=O)NC2(C)CC=CC2)ccc1[O-] ZINC000655222998 490048912 /nfs/dbraw/zinc/04/89/12/490048912.db2.gz KBZQNBSDBVELND-UHFFFAOYSA-N -1 3 247.294 2.239 20 0 BEADHM Cc1ccc(CN2CCC[C@@H](CC(=O)[O-])C2)cn1 ZINC000228886614 490306272 /nfs/dbraw/zinc/30/62/72/490306272.db2.gz SFZHBUDJYXPOSP-LBPRGKRZSA-N -1 3 248.326 2.077 20 0 BEADHM Cc1ccc(CN2CCCC[C@H]2CC(=O)[O-])cn1 ZINC000228886888 490306280 /nfs/dbraw/zinc/30/62/80/490306280.db2.gz YJTHNQFSNMHDHK-ZDUSSCGKSA-N -1 3 248.326 2.219 20 0 BEADHM CCC[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000220213793 490593937 /nfs/dbraw/zinc/59/39/37/490593937.db2.gz YAIZTTPKGWAQEV-MRVPVSSYSA-N -1 3 223.272 2.016 20 0 BEADHM O=C(NC1(C(F)(F)F)CC1)c1cccc([O-])c1 ZINC000229720914 491119667 /nfs/dbraw/zinc/11/96/67/491119667.db2.gz MTZBTBZFYZNXKW-UHFFFAOYSA-N -1 3 245.200 2.217 20 0 BEADHM CSCC(C)(C)[N-]C(=O)C(F)(F)C(F)F ZINC000890875255 582585574 /nfs/dbraw/zinc/58/55/74/582585574.db2.gz XAIJOVWRACXYKE-UHFFFAOYSA-N -1 3 247.257 2.145 20 0 BEADHM COc1ccccc1/C=C\C(=O)[N-]OC1CCC1 ZINC000493581894 533957649 /nfs/dbraw/zinc/95/76/49/533957649.db2.gz IXODCUGVELCUKE-KTKRTIGZSA-N -1 3 247.294 2.309 20 0 BEADHM Cc1ncccc1/C=C\C(=O)[N-]OCC(C)C ZINC000492966959 534761127 /nfs/dbraw/zinc/76/11/27/534761127.db2.gz XGLIUUFHSXLQDB-SREVYHEPSA-N -1 3 234.299 2.107 20 0 BEADHM CC(C)O[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000335391156 534899994 /nfs/dbraw/zinc/89/99/94/534899994.db2.gz AVQOTCQGDQAPKB-LLVKDONJSA-N -1 3 249.310 2.032 20 0 BEADHM CC(C)=CCCNC(=O)/C=C\c1cncc([O-])c1 ZINC000493646399 527392817 /nfs/dbraw/zinc/39/28/17/527392817.db2.gz PXWOYZOLKQLJFM-WAYWQWQTSA-N -1 3 246.310 2.273 20 0 BEADHM CC(C)[C@H]1CCN1C(=O)/C=C/c1cncc([O-])c1 ZINC000492521810 527799440 /nfs/dbraw/zinc/79/94/40/527799440.db2.gz RIYDMTDMGYEMHD-ITDFMYJTSA-N -1 3 246.310 2.057 20 0 BEADHM CC(C)OCCO[N-]C(=O)/C=C/c1ccccc1 ZINC000493855037 527983150 /nfs/dbraw/zinc/98/31/50/527983150.db2.gz NMIBMYOUEDUOGH-CMDGGOBGSA-N -1 3 249.310 2.173 20 0 BEADHM CCO/C=C/C(=O)Nc1c(C)cccc1[O-] ZINC000493187736 528497061 /nfs/dbraw/zinc/49/70/61/528497061.db2.gz KWFPWIULVJOZPU-BQYQJAHWSA-N -1 3 221.256 2.189 20 0 BEADHM CCO/C=C\C(=O)Nc1ccc(C)cc1[O-] ZINC000493562484 528539662 /nfs/dbraw/zinc/53/96/62/528539662.db2.gz VKVDMDSZGIVOQX-SREVYHEPSA-N -1 3 221.256 2.189 20 0 BEADHM CC(C)[C@@H]1CCN1C(=O)/C=C\c1cncc([O-])c1 ZINC000492521814 528701693 /nfs/dbraw/zinc/70/16/93/528701693.db2.gz RIYDMTDMGYEMHD-SCOBNMCVSA-N -1 3 246.310 2.057 20 0 BEADHM CCC(CC)N(CC)C(=O)c1csc(=O)[n-]1 ZINC000494850926 528775772 /nfs/dbraw/zinc/77/57/72/528775772.db2.gz NJTHCRADQOYNBI-UHFFFAOYSA-N -1 3 242.344 2.499 20 0 BEADHM CCC[C@@H](C)N(C)C(=O)c1csc(=O)[n-]1 ZINC000471748391 528887171 /nfs/dbraw/zinc/88/71/71/528887171.db2.gz HXJCSSZCAAROQD-SSDOTTSWSA-N -1 3 228.317 2.109 20 0 BEADHM CCOC([O-])=NOCCCc1ccsc1 ZINC000497032076 529082327 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2.391 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Nc1nc(C)c(C)o1 ZINC000813829344 586607462 /nfs/dbraw/zinc/60/74/62/586607462.db2.gz AMHPGYGIABNNIC-SSDOTTSWSA-N -1 3 241.291 2.391 20 0 BEADHM CC(C)(CC(=O)[N-]C1=NCCS1)C1CC1 ZINC000814800240 586635413 /nfs/dbraw/zinc/63/54/13/586635413.db2.gz OOQPXFWUNWPRGA-UHFFFAOYSA-N -1 3 226.345 2.032 20 0 BEADHM C[C@]1(C(=O)[N-]OC2CCCC2)C[C@H]2C[C@H]2C1 ZINC000815950706 586699430 /nfs/dbraw/zinc/69/94/30/586699430.db2.gz GDUCJHRYBIFGOS-IWIIMEHWSA-N -1 3 223.316 2.413 20 0 BEADHM COC(=O)c1cc(C(=O)O[C@@H](C)C(C)C)c[n-]1 ZINC000815984705 586701802 /nfs/dbraw/zinc/70/18/02/586701802.db2.gz SYXUNGHFACKXKZ-QMMMGPOBSA-N -1 3 239.271 2.003 20 0 BEADHM COCCCO[N-]C(=O)C(C)(C)C(C)(C)C ZINC000816660351 586753523 /nfs/dbraw/zinc/75/35/23/586753523.db2.gz AJDFIGSNKSZPLT-UHFFFAOYSA-N -1 3 231.336 2.143 20 0 BEADHM O=C(CCC1CC1)[N-]Oc1ccccc1 ZINC000816684467 586755911 /nfs/dbraw/zinc/75/59/11/586755911.db2.gz CDYHSXRCHUQMSU-UHFFFAOYSA-N -1 3 205.257 2.287 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)c1ccnnc1 ZINC000816768731 586763566 /nfs/dbraw/zinc/76/35/66/586763566.db2.gz DHQONOXLJAUMJN-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)C[C@@H]1CCC(=O)[C@@H]1C ZINC000816976596 586776242 /nfs/dbraw/zinc/77/62/42/586776242.db2.gz GVJHXEZMRCZMKI-AXFHLTTASA-N -1 3 241.331 2.086 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)C(C)(C)CSC ZINC000816978858 586777277 /nfs/dbraw/zinc/77/72/77/586777277.db2.gz CLOYPPJRZQXMIB-SECBINFHSA-N -1 3 233.377 2.470 20 0 BEADHM O=C([N-]OCC1CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000817331319 586796052 /nfs/dbraw/zinc/79/60/52/586796052.db2.gz ZNJPVHKAUBXVPZ-QWHCGFSZSA-N -1 3 231.295 2.248 20 0 BEADHM CC[C@H](C)CC[C@@H](O)CC(=O)[N-]OCC1CC1 ZINC000817344321 586797575 /nfs/dbraw/zinc/79/75/75/586797575.db2.gz BADUCVGWMSSJKN-CMPLNLGQSA-N -1 3 243.347 2.022 20 0 BEADHM O=C(/C=C/c1ccccc1F)[N-]OCC1CC1 ZINC000817344552 586797594 /nfs/dbraw/zinc/79/75/94/586797594.db2.gz KLLYEEVIPLLPLP-BQYQJAHWSA-N -1 3 235.258 2.297 20 0 BEADHM O=C([N-]OCC1CC1)C12CC(C(F)(F)F)(C1)C2 ZINC000817353684 586798327 /nfs/dbraw/zinc/79/83/27/586798327.db2.gz DZUULCBKSBMVCB-UHFFFAOYSA-N -1 3 249.232 2.177 20 0 BEADHM CCc1ccc([O-])c(C(=O)NOCC2CC2)c1 ZINC000817350016 586798389 /nfs/dbraw/zinc/79/83/89/586798389.db2.gz QRMFYQVZXGNRIU-UHFFFAOYSA-N -1 3 235.283 2.026 20 0 BEADHM C[C@H]1CC[C@@H](CCC(=O)[N-]OCCC2CC2)O1 ZINC000817383623 586800243 /nfs/dbraw/zinc/80/02/43/586800243.db2.gz RLJQNFYDOJGLFR-JQWIXIFHSA-N -1 3 241.331 2.182 20 0 BEADHM O=C(CC1CCSCC1)[N-]OCCC1CC1 ZINC000817407917 586800829 /nfs/dbraw/zinc/80/08/29/586800829.db2.gz IFWOMJRAJRRAFU-UHFFFAOYSA-N -1 3 243.372 2.368 20 0 BEADHM Cc1ccc(CC(=O)[N-]OCCC2CC2)cc1O ZINC000817408027 586801211 /nfs/dbraw/zinc/80/12/11/586801211.db2.gz IXPLSOJEYCURPG-UHFFFAOYSA-N -1 3 249.310 2.091 20 0 BEADHM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(N)cc1[O-] ZINC000817904210 586837341 /nfs/dbraw/zinc/83/73/41/586837341.db2.gz AGTHVPQIBGEABJ-UWVGGRQHSA-N -1 3 248.326 2.378 20 0 BEADHM CC(C)(C)CCNC(=O)c1ccc(N)cc1[O-] ZINC000817911001 586838233 /nfs/dbraw/zinc/83/82/33/586838233.db2.gz FSNKOEDRIXBUHT-UHFFFAOYSA-N -1 3 236.315 2.140 20 0 BEADHM CCN(C(=O)c1ccc(N)cc1[O-])C1CCCC1 ZINC000817915680 586839151 /nfs/dbraw/zinc/83/91/51/586839151.db2.gz OYUZLMRAQLAQRP-UHFFFAOYSA-N -1 3 248.326 2.379 20 0 BEADHM CC(C)N(CC1CC1)C(=O)c1ccc(N)cc1[O-] ZINC000817920666 586840367 /nfs/dbraw/zinc/84/03/67/586840367.db2.gz SECXGXYUQGPRTK-UHFFFAOYSA-N -1 3 248.326 2.235 20 0 BEADHM CCC(C)(CC)NC(=O)c1ccc(N)cc1[O-] ZINC000817941221 586845560 /nfs/dbraw/zinc/84/55/60/586845560.db2.gz NUNDJFDFTHNVKO-UHFFFAOYSA-N -1 3 236.315 2.283 20 0 BEADHM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(N)cc1[O-] ZINC000817999120 586862970 /nfs/dbraw/zinc/86/29/70/586862970.db2.gz NAVWMFQLOOILEZ-ONGXEEELSA-N -1 3 248.326 2.378 20 0 BEADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(N)cc1[O-] ZINC000817999119 586863068 /nfs/dbraw/zinc/86/30/68/586863068.db2.gz NAVWMFQLOOILEZ-MWLCHTKSSA-N -1 3 248.326 2.378 20 0 BEADHM C[C@@H](CC(=O)[O-])NCc1cscc1Cl ZINC000818004956 586863624 /nfs/dbraw/zinc/86/36/24/586863624.db2.gz VJPDESGYSDUCQJ-LURJTMIESA-N -1 3 233.720 2.354 20 0 BEADHM Cc1cccc([O-])c1NC(=O)/C=C\[C@H]1CCCO1 ZINC000819457999 586966095 /nfs/dbraw/zinc/96/60/95/586966095.db2.gz NCZGLSJKNQGIRO-SKVAFPRGSA-N -1 3 247.294 2.374 20 0 BEADHM CCC[C@H](C)CC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819767350 586991468 /nfs/dbraw/zinc/99/14/68/586991468.db2.gz SGVYKHTYRQLFQW-IUCAKERBSA-N -1 3 228.361 2.420 20 0 BEADHM CCC[C@@H](C)CC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819767351 586991584 /nfs/dbraw/zinc/99/15/84/586991584.db2.gz SGVYKHTYRQLFQW-RKDXNWHRSA-N -1 3 228.361 2.420 20 0 BEADHM CS[C@H](C)CCC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819775441 586992737 /nfs/dbraw/zinc/99/27/37/586992737.db2.gz GIRCJEQAMMJRCT-HTQZYQBOSA-N -1 3 246.401 2.126 20 0 BEADHM CC[C@@H]1CCC[C@@H]1C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819781167 586993753 /nfs/dbraw/zinc/99/37/53/586993753.db2.gz MELZNAXVJFAHEZ-AEJSXWLSSA-N -1 3 240.372 2.420 20 0 BEADHM C[C@H](C(=O)[N-]C1=NC[C@@H](C)S1)C1CCC1 ZINC000819780086 586994278 /nfs/dbraw/zinc/99/42/78/586994278.db2.gz DADKYYJKROXFQI-SFYZADRCSA-N -1 3 226.345 2.030 20 0 BEADHM CC(C)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cn1 ZINC000820021448 587013629 /nfs/dbraw/zinc/01/36/29/587013629.db2.gz UGIBSCBWGSLBAZ-MRVPVSSYSA-N -1 3 249.343 2.398 20 0 BEADHM CC(C)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cn1 ZINC000820021448 587013630 /nfs/dbraw/zinc/01/36/30/587013630.db2.gz UGIBSCBWGSLBAZ-MRVPVSSYSA-N -1 3 249.343 2.398 20 0 BEADHM C[C@@H](N[C@@H](C)CC(=O)[O-])c1cccc(F)c1F ZINC000820071956 587016889 /nfs/dbraw/zinc/01/68/89/587016889.db2.gz LLCDFKSRAAHJAP-JGVFFNPUSA-N -1 3 243.253 2.479 20 0 BEADHM CC(C)c1csc(CN[C@H](C)CC(=O)[O-])n1 ZINC000820088718 587020447 /nfs/dbraw/zinc/02/04/47/587020447.db2.gz CVIWFHHCTBRKJX-MRVPVSSYSA-N -1 3 242.344 2.219 20 0 BEADHM O=C(C=CC1CC1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820218240 587035734 /nfs/dbraw/zinc/03/57/34/587035734.db2.gz INZXPVDIQKWDFW-UTCJRWHESA-N -1 3 243.266 2.173 20 0 BEADHM CC(C)=CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820217763 587035985 /nfs/dbraw/zinc/03/59/85/587035985.db2.gz ATNXLBBVEWCKHL-UHFFFAOYSA-N -1 3 231.255 2.173 20 0 BEADHM CC[C@H](NCC(=O)[O-])c1cc(F)ccc1F ZINC000820285275 587040894 /nfs/dbraw/zinc/04/08/94/587040894.db2.gz XWRHUFYHZHZFGO-JTQLQIEISA-N -1 3 229.226 2.090 20 0 BEADHM O=C([N-]OCCC1CC1)[C@]12C[C@H]1CCC2 ZINC000820484251 587051212 /nfs/dbraw/zinc/05/12/12/587051212.db2.gz HDIBJENMKLNBMT-ZYHUDNBSSA-N -1 3 209.289 2.025 20 0 BEADHM O=C([N-]OCCC1CC1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000820485020 587051248 /nfs/dbraw/zinc/05/12/48/587051248.db2.gz VFKPKOFKQHUBGN-NJZULAAPSA-N -1 3 235.327 2.126 20 0 BEADHM CC1(CNc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820623791 587059820 /nfs/dbraw/zinc/05/98/20/587059820.db2.gz YSBXTHLVIONEPS-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM CC1(CNc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820623791 587059822 /nfs/dbraw/zinc/05/98/22/587059822.db2.gz YSBXTHLVIONEPS-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)[C@H]1C ZINC000820728844 587069127 /nfs/dbraw/zinc/06/91/27/587069127.db2.gz ZECUOIYCUKWUBC-ZJUUUORDSA-N -1 3 243.314 2.101 20 0 BEADHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC000820728844 587069128 /nfs/dbraw/zinc/06/91/28/587069128.db2.gz ZECUOIYCUKWUBC-ZJUUUORDSA-N -1 3 243.314 2.101 20 0 BEADHM CC[C@@H](C)CSc1ncccc1-c1nnn[n-]1 ZINC000820868594 587078613 /nfs/dbraw/zinc/07/86/13/587078613.db2.gz AXLCATLZCSVXAV-MRVPVSSYSA-N -1 3 249.343 2.400 20 0 BEADHM CC[C@@H](C)CSc1ncccc1-c1nn[n-]n1 ZINC000820868594 587078615 /nfs/dbraw/zinc/07/86/15/587078615.db2.gz AXLCATLZCSVXAV-MRVPVSSYSA-N -1 3 249.343 2.400 20 0 BEADHM CC[C@@H](C)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820876996 587079141 /nfs/dbraw/zinc/07/91/41/587079141.db2.gz XXXCCSHIZRIWFJ-SSDOTTSWSA-N -1 3 235.266 2.216 20 0 BEADHM CC[C@@H](C)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820876996 587079142 /nfs/dbraw/zinc/07/91/42/587079142.db2.gz XXXCCSHIZRIWFJ-SSDOTTSWSA-N -1 3 235.266 2.216 20 0 BEADHM CC[C@@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC000820876886 587079188 /nfs/dbraw/zinc/07/91/88/587079188.db2.gz VOEPOSJNMQASEC-MRVPVSSYSA-N -1 3 249.293 2.241 20 0 BEADHM CC[C@@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC000820876886 587079190 /nfs/dbraw/zinc/07/91/90/587079190.db2.gz VOEPOSJNMQASEC-MRVPVSSYSA-N -1 3 249.293 2.241 20 0 BEADHM CC[C@H](Nc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC000820925361 587081934 /nfs/dbraw/zinc/08/19/34/587081934.db2.gz HUNGCPHNMFTCFD-JTQLQIEISA-N -1 3 246.318 2.108 20 0 BEADHM CC[C@H](Nc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC000820925361 587081936 /nfs/dbraw/zinc/08/19/36/587081936.db2.gz HUNGCPHNMFTCFD-JTQLQIEISA-N -1 3 246.318 2.108 20 0 BEADHM Cc1ccc2c(c1C)OC[C@H]2N[C@@H](C)CC(=O)[O-] ZINC000821103887 587096063 /nfs/dbraw/zinc/09/60/63/587096063.db2.gz TUUWWNOVSMRLEV-JOYOIKCWSA-N -1 3 249.310 2.190 20 0 BEADHM CC1(C(=O)Nc2cccc3n[n-]nc32)CC=CC1 ZINC000821363021 587112403 /nfs/dbraw/zinc/11/24/03/587112403.db2.gz FQQKHEYTJHBTBC-UHFFFAOYSA-N -1 3 242.282 2.253 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)cc1OCC1CCC1 ZINC000822221613 587158770 /nfs/dbraw/zinc/15/87/70/587158770.db2.gz WZDVQULZTIXOHG-UHFFFAOYSA-N -1 3 244.298 2.354 20 0 BEADHM Cc1ccc(-c2nn[n-]n2)cc1OCC1CCC1 ZINC000822221613 587158771 /nfs/dbraw/zinc/15/87/71/587158771.db2.gz WZDVQULZTIXOHG-UHFFFAOYSA-N -1 3 244.298 2.354 20 0 BEADHM [O-]C(=NOCC1CCC1)Nc1cccc(F)n1 ZINC000822650275 587179327 /nfs/dbraw/zinc/17/93/27/587179327.db2.gz CXVKQAJNIDQTNE-UHFFFAOYSA-N -1 3 239.250 2.074 20 0 BEADHM O=C([N-]OCC1CCC1)Nc1cccc(F)n1 ZINC000822650275 587179328 /nfs/dbraw/zinc/17/93/28/587179328.db2.gz CXVKQAJNIDQTNE-UHFFFAOYSA-N -1 3 239.250 2.074 20 0 BEADHM CCCCC[C@H](O)C(=O)Nc1ccccc1[O-] ZINC000822673337 587180162 /nfs/dbraw/zinc/18/01/62/587180162.db2.gz PKYUEUQTVLZHDC-LBPRGKRZSA-N -1 3 237.299 2.272 20 0 BEADHM CCC(F)(F)C(=O)[N-]Cc1ccc(Cl)nc1 ZINC000822702466 587181922 /nfs/dbraw/zinc/18/19/22/587181922.db2.gz BFMDDDVNWKQXID-UHFFFAOYSA-N -1 3 248.660 2.397 20 0 BEADHM CC[C@@H]1CCC[C@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000822925071 587193612 /nfs/dbraw/zinc/19/36/12/587193612.db2.gz WSEYUKQPZONDHU-IJLUTSLNSA-N -1 3 241.331 2.387 20 0 BEADHM CCC(F)(F)C(=O)[N-][C@H](C)c1nccc(C)n1 ZINC000823705929 587237395 /nfs/dbraw/zinc/23/73/95/587237395.db2.gz UQVMDUKSWKSIEY-MRVPVSSYSA-N -1 3 243.257 2.008 20 0 BEADHM CCC[C@H](CC)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000823806764 587240982 /nfs/dbraw/zinc/24/09/82/587240982.db2.gz IIDPQYSQDMHHLH-BDAKNGLRSA-N -1 3 228.361 2.420 20 0 BEADHM CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824039191 587250829 /nfs/dbraw/zinc/25/08/29/587250829.db2.gz RUJUPQSOLAFVDG-NEPJUHHUSA-N -1 3 238.331 2.169 20 0 BEADHM CC(C)(C)CCNc1cnccc1-c1nnn[n-]1 ZINC000824085077 587254489 /nfs/dbraw/zinc/25/44/89/587254489.db2.gz AHSLFRXPHNXQNU-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CC(C)(C)CCNc1cnccc1-c1nn[n-]n1 ZINC000824085077 587254491 /nfs/dbraw/zinc/25/44/91/587254491.db2.gz AHSLFRXPHNXQNU-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CC(C)N(CCNC(=O)[O-])Cc1cccs1 ZINC000824347102 587267256 /nfs/dbraw/zinc/26/72/56/587267256.db2.gz UCRBSXQRTLUAKO-UHFFFAOYSA-N -1 3 242.344 2.226 20 0 BEADHM C[C@@H](NCCN(C)C(=O)[O-])c1ccsc1 ZINC000825496187 587321398 /nfs/dbraw/zinc/32/13/98/587321398.db2.gz NGZABZQWMBADOB-MRVPVSSYSA-N -1 3 228.317 2.009 20 0 BEADHM C[C@@H](NCCN(C)C(=O)[O-])c1cccc(F)c1 ZINC000825496349 587321463 /nfs/dbraw/zinc/32/14/63/587321463.db2.gz PAJZUGYNKWTAID-SECBINFHSA-N -1 3 240.278 2.086 20 0 BEADHM C/C(=C/CN1CCC[C@H]1c1ccccn1)C(=O)[O-] ZINC000825741599 587335332 /nfs/dbraw/zinc/33/53/32/587335332.db2.gz QFGBHYJGWZMMHR-YLBKJLTLSA-N -1 3 246.310 2.249 20 0 BEADHM CC1CC(NCc2ccc(NC(=O)[O-])nc2)C1 ZINC000825852061 587341402 /nfs/dbraw/zinc/34/14/02/587341402.db2.gz KVIKYMRMHQMEHK-UHFFFAOYSA-N -1 3 235.287 2.060 20 0 BEADHM C[C@@H]1C[C@H](c2ccccc2)CN1CCNC(=O)[O-] ZINC000825853179 587341671 /nfs/dbraw/zinc/34/16/71/587341671.db2.gz VBWBFXIAUCBORZ-YPMHNXCESA-N -1 3 248.326 2.132 20 0 BEADHM C[C@H]1C[C@H]1NCc1cccc2c1N(C(=O)[O-])CC2 ZINC000825861205 587342120 /nfs/dbraw/zinc/34/21/20/587342120.db2.gz QFYZIBIJJFZDBJ-JOYOIKCWSA-N -1 3 246.310 2.225 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)nc1NCCC(C)C ZINC000826280614 587351983 /nfs/dbraw/zinc/35/19/83/587351983.db2.gz JBMMUFVUDJIYJL-UHFFFAOYSA-N -1 3 246.318 2.028 20 0 BEADHM Cc1ccnc(N[C@@H](C)C(C)C)c1-c1nnn[n-]1 ZINC000826311636 587352194 /nfs/dbraw/zinc/35/21/94/587352194.db2.gz KAJQHSWNHJTPPO-VIFPVBQESA-N -1 3 246.318 2.027 20 0 BEADHM Cc1ccnc(N[C@@H](C)C(C)C)c1-c1nn[n-]n1 ZINC000826311636 587352195 /nfs/dbraw/zinc/35/21/95/587352195.db2.gz KAJQHSWNHJTPPO-VIFPVBQESA-N -1 3 246.318 2.027 20 0 BEADHM Cc1cccc(Cn2ccc(-c3nnn[n-]3)c2)c1 ZINC000826298483 587352373 /nfs/dbraw/zinc/35/23/73/587352373.db2.gz VDIWRRZRRDQUAZ-UHFFFAOYSA-N -1 3 239.282 2.025 20 0 BEADHM Cc1cccc(Cn2ccc(-c3nn[n-]n3)c2)c1 ZINC000826298483 587352374 /nfs/dbraw/zinc/35/23/74/587352374.db2.gz VDIWRRZRRDQUAZ-UHFFFAOYSA-N -1 3 239.282 2.025 20 0 BEADHM CC(C)(CC(=O)[O-])NCc1nc2ccccc2o1 ZINC000826542071 587354522 /nfs/dbraw/zinc/35/45/22/587354522.db2.gz HLFMMHYMVBISKQ-UHFFFAOYSA-N -1 3 248.282 2.171 20 0 BEADHM CC(C)(CC(=O)[O-])NC/C(Cl)=C/Cl ZINC000826538300 587354548 /nfs/dbraw/zinc/35/45/48/587354548.db2.gz OJXMJSVUKDNJCN-XQRVVYSFSA-N -1 3 226.103 2.148 20 0 BEADHM CCC(CC)(CNCc1ccco1)NC(=O)[O-] ZINC000826561050 587354889 /nfs/dbraw/zinc/35/48/89/587354889.db2.gz IGDRCOXHXCLBFI-UHFFFAOYSA-N -1 3 240.303 2.196 20 0 BEADHM CC[C@H](NCCN(C)C(=O)[O-])c1ccccc1 ZINC000826620216 587356744 /nfs/dbraw/zinc/35/67/44/587356744.db2.gz PWVCSOFBFSQVTF-LBPRGKRZSA-N -1 3 236.315 2.337 20 0 BEADHM CC[C@H]1c2ccccc2CCN1CCNC(=O)[O-] ZINC000826701622 587359431 /nfs/dbraw/zinc/35/94/31/587359431.db2.gz WGMANXZHJTWONP-ZDUSSCGKSA-N -1 3 248.326 2.263 20 0 BEADHM CCCC[C@@H](CNC(=O)[O-])NCc1ccoc1 ZINC000826814345 587363181 /nfs/dbraw/zinc/36/31/81/587363181.db2.gz LSTMLPCEXYRAJC-NSHDSACASA-N -1 3 240.303 2.196 20 0 BEADHM CCN(CCNC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000827146855 587370936 /nfs/dbraw/zinc/37/09/36/587370936.db2.gz ULNODOBKEJEDDZ-NSHDSACASA-N -1 3 236.315 2.337 20 0 BEADHM CCN(CCN[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000827150168 587371434 /nfs/dbraw/zinc/37/14/34/587371434.db2.gz AKCJDIBDOUGCBS-NSHDSACASA-N -1 3 236.315 2.337 20 0 BEADHM C[C@H]1CCC[C@]1(C)C(=O)[N-]OCC(F)(F)F ZINC000827243591 587373633 /nfs/dbraw/zinc/37/36/33/587373633.db2.gz NYQHVZKDEHMVHM-CBAPKCEASA-N -1 3 239.237 2.423 20 0 BEADHM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]OCc1cccnc1 ZINC000827501431 587384078 /nfs/dbraw/zinc/38/40/78/587384078.db2.gz QQMMVWNEHJWOTB-BXUZGUMPSA-N -1 3 248.326 2.456 20 0 BEADHM CCc1ccccc1CN[C@@H]1CCN(C(=O)[O-])C1 ZINC000827601604 587392150 /nfs/dbraw/zinc/39/21/50/587392150.db2.gz YSKVDBXGIWICSF-CYBMUJFWSA-N -1 3 248.326 2.091 20 0 BEADHM CCCO[N-]C(=O)Nc1cccc(C)c1 ZINC000828222143 587425322 /nfs/dbraw/zinc/42/53/22/587425322.db2.gz NYZPFILNHQFCFH-UHFFFAOYSA-N -1 3 208.261 2.458 20 0 BEADHM CN(C[C@@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000828230509 587426158 /nfs/dbraw/zinc/42/61/58/587426158.db2.gz QJRMOCMZUNOERJ-ZDUSSCGKSA-N -1 3 248.326 2.261 20 0 BEADHM CCCON=C([O-])N1CCc2ccc(C)cc21 ZINC000828257215 587428557 /nfs/dbraw/zinc/42/85/57/587428557.db2.gz VNJPAOFDKFJKTM-UHFFFAOYSA-N -1 3 234.299 2.409 20 0 BEADHM CCCO[N-]C(=O)N1CCc2ccc(C)cc21 ZINC000828257215 587428559 /nfs/dbraw/zinc/42/85/59/587428559.db2.gz VNJPAOFDKFJKTM-UHFFFAOYSA-N -1 3 234.299 2.409 20 0 BEADHM CC(=O)[C@@H](OC(=O)c1ccc([O-])cc1)C(C)C ZINC000828520002 587447317 /nfs/dbraw/zinc/44/73/17/587447317.db2.gz PZNUGVPQYHMPHN-LBPRGKRZSA-N -1 3 236.267 2.163 20 0 BEADHM O=C(OCC1=CCCC1)c1cncc([O-])c1 ZINC000828841630 587465922 /nfs/dbraw/zinc/46/59/22/587465922.db2.gz ASROSUGMGPZGSI-UHFFFAOYSA-N -1 3 219.240 2.054 20 0 BEADHM Cc1cc(=O)[n-]c(CSC2CCC2)n1 ZINC000829742038 587512726 /nfs/dbraw/zinc/51/27/26/587512726.db2.gz HDMARRONNDBQBE-UHFFFAOYSA-N -1 3 210.302 2.276 20 0 BEADHM Cc1ccc([C@H](C)NCCNC(=O)[O-])cc1F ZINC000830257717 587544377 /nfs/dbraw/zinc/54/43/77/587544377.db2.gz 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2.009 20 0 BEADHM CCCO[N-]C(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000831593355 587621947 /nfs/dbraw/zinc/62/19/47/587621947.db2.gz LFHPASNNHHDGJV-UHFFFAOYSA-N -1 3 248.286 2.334 20 0 BEADHM CC[C@@H]([N-]C(=O)C(F)F)C(=O)c1ccccc1 ZINC000831612680 587623097 /nfs/dbraw/zinc/62/30/97/587623097.db2.gz GFBHBWOOTVRADX-SECBINFHSA-N -1 3 241.237 2.029 20 0 BEADHM C/C(=C/CN[C@H](C)c1cnccc1C)C(=O)[O-] ZINC000833382353 587711779 /nfs/dbraw/zinc/71/17/79/587711779.db2.gz GWEFNRYOXNGCEY-GULOHRGCSA-N -1 3 234.299 2.072 20 0 BEADHM C/C(=C\CN[C@@H](C)c1cnccc1C)C(=O)[O-] ZINC000833382368 587711936 /nfs/dbraw/zinc/71/19/36/587711936.db2.gz GWEFNRYOXNGCEY-UAWPZABVSA-N -1 3 234.299 2.072 20 0 BEADHM C/C(=C/CNC1(c2cccc(F)c2)CC1)C(=O)[O-] ZINC000833383322 587712755 /nfs/dbraw/zinc/71/27/55/587712755.db2.gz LXWZLLBHQQYYFC-YHYXMXQVSA-N -1 3 249.285 2.435 20 0 BEADHM CC1(C)CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC000833559890 587720261 /nfs/dbraw/zinc/72/02/61/587720261.db2.gz DFXFYLJYPJIQEE-UHFFFAOYSA-N -1 3 236.315 2.335 20 0 BEADHM C[C@H]1CN(Cc2ccc(Cl)o2)C[C@@H]1C(=O)[O-] ZINC000833629804 587725131 /nfs/dbraw/zinc/72/51/31/587725131.db2.gz MOSFKDBATMTOPI-CBAPKCEASA-N -1 3 243.690 2.086 20 0 BEADHM CCc1ccc([C@H](C)NC2CN(C(=O)[O-])C2)cc1 ZINC000833669467 587727242 /nfs/dbraw/zinc/72/72/42/587727242.db2.gz FTCMUJVYVMKMGI-JTQLQIEISA-N -1 3 248.326 2.262 20 0 BEADHM O=C([O-])c1cc(CN2CCC[C@H]3CCC[C@@H]32)c[nH]1 ZINC000833779177 587731441 /nfs/dbraw/zinc/73/14/41/587731441.db2.gz KARFNWLNRIFMBU-YPMHNXCESA-N -1 3 248.326 2.477 20 0 BEADHM O=C([O-])Nc1cccc(CN2CC[C@H]3C[C@H]32)c1 ZINC000834269344 587750454 /nfs/dbraw/zinc/75/04/54/587750454.db2.gz TYWWHWCVHUQSAL-CMPLNLGQSA-N -1 3 232.283 2.371 20 0 BEADHM CCC(F)(F)C(=O)Nc1nc(C)ccc1[O-] ZINC000834685874 587763980 /nfs/dbraw/zinc/76/39/80/587763980.db2.gz ATMCHGVWDINNNI-UHFFFAOYSA-N -1 3 230.214 2.079 20 0 BEADHM CC(=O)c1ccc(NC([O-])=NOC2CCC2)cc1 ZINC000836187633 587828191 /nfs/dbraw/zinc/82/81/91/587828191.db2.gz WHBMEERVTJXMRP-UHFFFAOYSA-N -1 3 248.282 2.495 20 0 BEADHM CC(=O)c1ccc(NC(=O)[N-]OC2CCC2)cc1 ZINC000836187633 587828192 /nfs/dbraw/zinc/82/81/92/587828192.db2.gz WHBMEERVTJXMRP-UHFFFAOYSA-N -1 3 248.282 2.495 20 0 BEADHM Cc1csc(NC([O-])=NOC2CCC2)n1 ZINC000836196825 587828580 /nfs/dbraw/zinc/82/85/80/587828580.db2.gz JQERKOQVONTDTK-UHFFFAOYSA-N -1 3 227.289 2.057 20 0 BEADHM Cc1csc(NC(=O)[N-]OC2CCC2)n1 ZINC000836196825 587828581 /nfs/dbraw/zinc/82/85/81/587828581.db2.gz JQERKOQVONTDTK-UHFFFAOYSA-N -1 3 227.289 2.057 20 0 BEADHM CC(C)ON=C([O-])Nc1nc2c(s1)CCC2 ZINC000836228249 587829242 /nfs/dbraw/zinc/82/92/42/587829242.db2.gz LQLXXHOOXMHFCW-UHFFFAOYSA-N -1 3 241.316 2.093 20 0 BEADHM CC(C)O[N-]C(=O)Nc1nc2c(s1)CCC2 ZINC000836228249 587829243 /nfs/dbraw/zinc/82/92/43/587829243.db2.gz LQLXXHOOXMHFCW-UHFFFAOYSA-N -1 3 241.316 2.093 20 0 BEADHM CC(C)ON=C([O-])Nc1scnc1C1CC1 ZINC000836481173 587834066 /nfs/dbraw/zinc/83/40/66/587834066.db2.gz FOECCSVASXRMEI-UHFFFAOYSA-N -1 3 241.316 2.482 20 0 BEADHM CC(C)O[N-]C(=O)Nc1scnc1C1CC1 ZINC000836481173 587834067 /nfs/dbraw/zinc/83/40/67/587834067.db2.gz FOECCSVASXRMEI-UHFFFAOYSA-N -1 3 241.316 2.482 20 0 BEADHM C[C@H]1CC=C(C(=O)[N-]O[C@H]2CCCCO2)CC1 ZINC000836552521 587834816 /nfs/dbraw/zinc/83/48/16/587834816.db2.gz KWZGCERQMGUAKW-JQWIXIFHSA-N -1 3 239.315 2.307 20 0 BEADHM COCc1ccc(NC([O-])=NOC(C)C)cc1 ZINC000836563675 587834858 /nfs/dbraw/zinc/83/48/58/587834858.db2.gz BXJBHSUFNOQCFH-UHFFFAOYSA-N -1 3 238.287 2.295 20 0 BEADHM COCc1ccc(NC(=O)[N-]OC(C)C)cc1 ZINC000836563675 587834859 /nfs/dbraw/zinc/83/48/59/587834859.db2.gz BXJBHSUFNOQCFH-UHFFFAOYSA-N -1 3 238.287 2.295 20 0 BEADHM Cc1cc(C)c(NC([O-])=NOC(C)C)c(C)n1 ZINC000836630957 587835791 /nfs/dbraw/zinc/83/57/91/587835791.db2.gz CKHNYZYBJYMVSB-UHFFFAOYSA-N -1 3 237.303 2.468 20 0 BEADHM Cc1cc(C)c(NC(=O)[N-]OC(C)C)c(C)n1 ZINC000836630957 587835792 /nfs/dbraw/zinc/83/57/92/587835792.db2.gz CKHNYZYBJYMVSB-UHFFFAOYSA-N -1 3 237.303 2.468 20 0 BEADHM CC[C@H](C)CC[C@H](O)CC(=O)[N-]OC(C)C ZINC000836797853 587837068 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DSYPEBZQDKGYBA-GXTWGEPZSA-N -1 3 233.311 2.420 20 0 BEADHM CC(C)O[N-]C(=O)CC[C@H]1CC(C)(C)CO1 ZINC000880184488 590952248 /nfs/dbraw/zinc/95/22/48/590952248.db2.gz ILGLNZLBTQYPNP-JTQLQIEISA-N -1 3 229.320 2.038 20 0 BEADHM CC(C)O[N-]C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC000880184489 590952805 /nfs/dbraw/zinc/95/28/05/590952805.db2.gz ILGLNZLBTQYPNP-SNVBAGLBSA-N -1 3 229.320 2.038 20 0 BEADHM CCCO[N-]C(=O)C[C@H]1CCC(C)(C)CO1 ZINC000880418538 591027080 /nfs/dbraw/zinc/02/70/80/591027080.db2.gz BXDVGTJINCWKNE-SNVBAGLBSA-N -1 3 229.320 2.040 20 0 BEADHM CC(C)=CC(=O)Nc1cccc([O-])c1F ZINC000128461236 591075227 /nfs/dbraw/zinc/07/52/27/591075227.db2.gz RDSBDLZQSBGBAE-UHFFFAOYSA-N -1 3 209.220 2.436 20 0 BEADHM CCCCN[C@@H](C(=O)[O-])c1ccccc1F ZINC000211383532 591164265 /nfs/dbraw/zinc/16/42/65/591164265.db2.gz MXRBDVDKRUKUAP-LLVKDONJSA-N -1 3 225.263 2.341 20 0 BEADHM CCCCN[C@H](C(=O)[O-])c1ccccc1F ZINC000211383464 591164372 /nfs/dbraw/zinc/16/43/72/591164372.db2.gz MXRBDVDKRUKUAP-NSHDSACASA-N -1 3 225.263 2.341 20 0 BEADHM CCc1ccc(NC([O-])=NOCC2CCC2)nc1 ZINC000881199180 591169299 /nfs/dbraw/zinc/16/92/99/591169299.db2.gz NURXMCZSBKWVRP-UHFFFAOYSA-N -1 3 249.314 2.497 20 0 BEADHM CCc1ccc(NC(=O)[N-]OCC2CCC2)nc1 ZINC000881199180 591169302 /nfs/dbraw/zinc/16/93/02/591169302.db2.gz NURXMCZSBKWVRP-UHFFFAOYSA-N -1 3 249.314 2.497 20 0 BEADHM CO[N-]C(=O)CC[C@H](C)c1ccccc1 ZINC000129229676 591270266 /nfs/dbraw/zinc/27/02/66/591270266.db2.gz HFCBWQZQHNPLQO-JTQLQIEISA-N -1 3 207.273 2.248 20 0 BEADHM Cc1ccc(C[N-]C(=O)C(C)(F)F)c(Cl)n1 ZINC000881884365 591276695 /nfs/dbraw/zinc/27/66/95/591276695.db2.gz QGAKQFYLFKRVBX-UHFFFAOYSA-N -1 3 248.660 2.315 20 0 BEADHM O=C(NOCc1ccccc1)c1ccccc1[O-] ZINC000025037280 591295427 /nfs/dbraw/zinc/29/54/27/591295427.db2.gz ULRXCHCXZMEYQM-UHFFFAOYSA-N -1 3 243.262 2.254 20 0 BEADHM O=C(NCc1cc([O-])ccc1Cl)C1CC1 ZINC000882228017 591318087 /nfs/dbraw/zinc/31/80/87/591318087.db2.gz YGBIYIAMPQMSGX-UHFFFAOYSA-N -1 3 225.675 2.072 20 0 BEADHM CC(C)(C)c1cccc(Cn2c([O-])coc2=O)c1 ZINC000882276016 591324764 /nfs/dbraw/zinc/32/47/64/591324764.db2.gz AOHQMRFKGPYMHU-UHFFFAOYSA-N -1 3 247.294 2.463 20 0 BEADHM O=C([O-])C[C@@H]1CCCCN1C/C=C\Cl ZINC000213406618 591472472 /nfs/dbraw/zinc/47/24/72/591472472.db2.gz XNTIDOYWAGMTTK-LVCFMKKZSA-N -1 3 217.696 2.068 20 0 BEADHM O=C(Nc1cccnc1)c1cc2occc2[n-]1 ZINC000130558454 591481603 /nfs/dbraw/zinc/48/16/03/591481603.db2.gz HEJNZFWTGXOVSY-UHFFFAOYSA-N -1 3 227.223 2.408 20 0 BEADHM O=C([O-])CCCCCNCc1ccoc1 ZINC000130667352 591496371 /nfs/dbraw/zinc/49/63/71/591496371.db2.gz MVNQKPRXGXAKKY-UHFFFAOYSA-N -1 3 211.261 2.014 20 0 BEADHM C/C(=C\CN(C)Cc1ccc(C)cc1)C(=O)[O-] ZINC000214594538 591636095 /nfs/dbraw/zinc/63/60/95/591636095.db2.gz ZWZJJGLIHQPQPP-XYOKQWHBSA-N -1 3 233.311 2.458 20 0 BEADHM CO[N-]C(=O)Cc1cc(Cl)ccc1Cl ZINC000131715510 591645038 /nfs/dbraw/zinc/64/50/38/591645038.db2.gz SXJWUQYTDFIRTH-UHFFFAOYSA-N -1 3 234.082 2.214 20 0 BEADHM O=c1ccnc(C=Cc2c(F)cccc2F)[n-]1 ZINC000131751816 591651221 /nfs/dbraw/zinc/65/12/21/591651221.db2.gz JNIBUQKDYDARHD-SNAWJCMRSA-N -1 3 234.205 2.219 20 0 BEADHM COc1ccc(CN(C)C/C=C(\C)C(=O)[O-])cc1 ZINC000214707980 591738453 /nfs/dbraw/zinc/73/84/53/591738453.db2.gz AOETZSSBPNHYME-DHZHZOJOSA-N -1 3 249.310 2.158 20 0 BEADHM CCC(F)(F)COC(=O)c1ccc([O-])cc1O ZINC000883941288 591779746 /nfs/dbraw/zinc/77/97/46/591779746.db2.gz SGQQRCFMJVNAPX-UHFFFAOYSA-N -1 3 246.209 2.300 20 0 BEADHM C/C=C(\C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000135455245 592013273 /nfs/dbraw/zinc/01/32/73/592013273.db2.gz FODWNBMTNKHZGX-XBXARRHUSA-N -1 3 221.256 2.306 20 0 BEADHM O=C(/C=C/C1CCCC1)NCc1cncc([O-])c1 ZINC000886272835 592192806 /nfs/dbraw/zinc/19/28/06/592192806.db2.gz DQOCJVRMTJBSOP-AATRIKPKSA-N -1 3 246.310 2.150 20 0 BEADHM C[C@H]1CCCC[C@@H]1C(=O)NCc1cncc([O-])c1 ZINC000886275137 592194929 /nfs/dbraw/zinc/19/49/29/592194929.db2.gz PDXACORZSFINMD-GWCFXTLKSA-N -1 3 248.326 2.230 20 0 BEADHM CC(C)C(C)(C)C(=O)NCc1cncc([O-])c1 ZINC000886276874 592196498 /nfs/dbraw/zinc/19/64/98/592196498.db2.gz YLIWZBNCRCYURJ-UHFFFAOYSA-N -1 3 236.315 2.086 20 0 BEADHM CC(C)C[C@@H](C)C(=O)NCc1cncc([O-])c1 ZINC000886276840 592196795 /nfs/dbraw/zinc/19/67/95/592196795.db2.gz WNSIEHJZQPCZCL-SNVBAGLBSA-N -1 3 236.315 2.086 20 0 BEADHM C[C@@H](C(=O)NCc1cncc([O-])c1)C(C)(C)C ZINC000886279769 592198370 /nfs/dbraw/zinc/19/83/70/592198370.db2.gz JZZMWXIKTYDTGH-VIFPVBQESA-N -1 3 236.315 2.086 20 0 BEADHM O=C([O-])[C@@H](NC/C=C\Cl)c1ccccc1 ZINC000220024596 592272317 /nfs/dbraw/zinc/27/23/17/592272317.db2.gz FWIJFZPNZMMRRI-VAWSOJLPSA-N -1 3 225.675 2.154 20 0 BEADHM C[C@@H]1CCc2[n-]n(C3CCSCC3)c(=O)c21 ZINC000887293067 592477102 /nfs/dbraw/zinc/47/71/02/592477102.db2.gz QLYPMZRPOSHMDP-KCJUWKMLSA-N -1 3 238.356 2.126 20 0 BEADHM C[C@H]1CCc2[n-]n(C3CCSCC3)c(=O)c21 ZINC000887293068 592477573 /nfs/dbraw/zinc/47/75/73/592477573.db2.gz QLYPMZRPOSHMDP-KWQFWETISA-N -1 3 238.356 2.126 20 0 BEADHM C[C@@H]1CCc2[n-]n([C@@H]3CCCSC3)c(=O)c21 ZINC000887298607 592478247 /nfs/dbraw/zinc/47/82/47/592478247.db2.gz CYJCPHXZOYBMAV-FXPVBKGRSA-N -1 3 238.356 2.126 20 0 BEADHM Cc1[n-]n(C2CCSCC2)c(=O)c1C1CC1 ZINC000887293209 592478270 /nfs/dbraw/zinc/47/82/70/592478270.db2.gz WTMDNQDFWQTGRY-LLVKDONJSA-N -1 3 238.356 2.126 20 0 BEADHM C[C@@H](c1ccccn1)N1CCC(CC(=O)[O-])CC1 ZINC000093682370 601412992 /nfs/dbraw/zinc/41/29/92/601412992.db2.gz SXNBMTMDCUEAGD-NSHDSACASA-N -1 3 248.326 2.329 20 0 BEADHM CC(C)CN(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000095149825 598242569 /nfs/dbraw/zinc/24/25/69/598242569.db2.gz KBSBDHLRFOJCLI-UHFFFAOYSA-N -1 3 249.293 2.098 20 0 BEADHM CCCCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000095277504 598629522 /nfs/dbraw/zinc/62/95/22/598629522.db2.gz SKTZVPVTAJPNHC-UHFFFAOYSA-N -1 3 235.266 2.218 20 0 BEADHM CCCCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000095277504 598629524 /nfs/dbraw/zinc/62/95/24/598629524.db2.gz SKTZVPVTAJPNHC-UHFFFAOYSA-N -1 3 235.266 2.218 20 0 BEADHM CC[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000095274707 598675221 /nfs/dbraw/zinc/67/52/21/598675221.db2.gz SGSWMEITTPYXAX-JTQLQIEISA-N -1 3 245.330 2.349 20 0 BEADHM Clc1cc(NCC2CC2)ccc1-c1nnn[n-]1 ZINC000095219845 598743982 /nfs/dbraw/zinc/74/39/82/598743982.db2.gz SHTHCDGEVCXBAZ-UHFFFAOYSA-N -1 3 249.705 2.342 20 0 BEADHM Clc1cc(NCC2CC2)ccc1-c1nn[n-]n1 ZINC000095219845 598743983 /nfs/dbraw/zinc/74/39/83/598743983.db2.gz SHTHCDGEVCXBAZ-UHFFFAOYSA-N -1 3 249.705 2.342 20 0 BEADHM CC(C)[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000095203466 598813645 /nfs/dbraw/zinc/81/36/45/598813645.db2.gz SWRUPIMONIZOPC-JTQLQIEISA-N -1 3 245.330 2.347 20 0 BEADHM C[C@@H]1c2c(F)cccc2CCN1CCC(=O)[O-] ZINC000299752817 600471703 /nfs/dbraw/zinc/47/17/03/600471703.db2.gz VOMZTQHXSHKWJL-SECBINFHSA-N -1 3 237.274 2.220 20 0 BEADHM C[C@@H](NCCNC(=O)[O-])c1ccc(Cl)s1 ZINC000739037987 602047782 /nfs/dbraw/zinc/04/77/82/602047782.db2.gz ZRZFCEBCFHWFSO-ZCFIWIBFSA-N -1 3 248.735 2.320 20 0 BEADHM O=C([O-])c1sccc1CN1C[C@H]2CCC[C@@H]21 ZINC000706961667 602207129 /nfs/dbraw/zinc/20/71/29/602207129.db2.gz FREXWUNKBBVPQA-SCZZXKLOSA-N -1 3 237.324 2.431 20 0 BEADHM O=C([O-])c1coc(CN2CCC3(CCC3)C2)c1 ZINC000380388989 602239195 /nfs/dbraw/zinc/23/91/95/602239195.db2.gz ZMTRBWGFJTUBIZ-UHFFFAOYSA-N -1 3 235.283 2.354 20 0 BEADHM CN(CCNCc1ccc(Cl)s1)C(=O)[O-] ZINC000739697748 602294024 /nfs/dbraw/zinc/29/40/24/602294024.db2.gz ACPKKPSKSVLUPI-UHFFFAOYSA-N -1 3 248.735 2.101 20 0 BEADHM CCCN(C/C=C\Cl)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739358943 602578456 /nfs/dbraw/zinc/57/84/56/602578456.db2.gz SKCCSDIGFHSOEM-TZGMSPROSA-N -1 3 246.738 2.203 20 0 BEADHM CN(CCCNCc1ccc(Cl)o1)C(=O)[O-] ZINC000739684053 602648793 /nfs/dbraw/zinc/64/87/93/602648793.db2.gz FYRCHNVJMGZFAM-UHFFFAOYSA-N -1 3 246.694 2.023 20 0 BEADHM O=C([O-])NCCN1CCC[C@@H]1c1ccsc1 ZINC000740658179 603084581 /nfs/dbraw/zinc/08/45/81/603084581.db2.gz KIOQWUXNXQMXFL-SNVBAGLBSA-N -1 3 240.328 2.153 20 0 BEADHM CCc1ccc(CN2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000739540883 604373476 /nfs/dbraw/zinc/37/34/76/604373476.db2.gz CQNWMWKCRONXNR-CYBMUJFWSA-N -1 3 248.326 2.091 20 0 BEADHM CN(Cc1cc(C(=O)[O-])ccc1F)CC1CC1 ZINC000062753149 605829081 /nfs/dbraw/zinc/82/90/81/605829081.db2.gz XSWOIWAGTHADAM-UHFFFAOYSA-N -1 3 237.274 2.366 20 0 BEADHM CC[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000095274734 606701219 /nfs/dbraw/zinc/70/12/19/606701219.db2.gz YERDEQLUGGGNCC-SECBINFHSA-N -1 3 232.287 2.292 20 0 BEADHM CC[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000095274734 606701222 /nfs/dbraw/zinc/70/12/22/606701222.db2.gz YERDEQLUGGGNCC-SECBINFHSA-N -1 3 232.287 2.292 20 0 BEADHM CCC[C@H](C)Nc1nccc(C)c1-c1nnn[n-]1 ZINC000825233098 609525488 /nfs/dbraw/zinc/52/54/88/609525488.db2.gz NFYMWAIETTVSDX-VIFPVBQESA-N -1 3 246.318 2.171 20 0 BEADHM CCC[C@H](C)Nc1nccc(C)c1-c1nn[n-]n1 ZINC000825233098 609525490 /nfs/dbraw/zinc/52/54/90/609525490.db2.gz NFYMWAIETTVSDX-VIFPVBQESA-N -1 3 246.318 2.171 20 0 BEADHM O=c1[nH]c(-c2cccs2)nc2ccc([O-])cc12 ZINC000436927058 635509432 /nfs/dbraw/zinc/50/94/32/635509432.db2.gz OACJEHLATXRRKD-UHFFFAOYSA-N -1 3 244.275 2.357 20 0 BEADHM Cc1ccc(CCC(=O)[N-]OCC(C)C)o1 ZINC000153542439 632820257 /nfs/dbraw/zinc/82/02/57/632820257.db2.gz CHPSRJCILIJYGN-UHFFFAOYSA-N -1 3 225.288 2.224 20 0 BEADHM Cc1cc(CNCCc2ccco2)oc1C(=O)[O-] ZINC000235824229 632834300 /nfs/dbraw/zinc/83/43/00/632834300.db2.gz PYXVOXNNVFYBMX-UHFFFAOYSA-N -1 3 249.266 2.212 20 0 BEADHM CSCCCC(=O)[N-]OCc1ccccc1 ZINC000172505418 632923325 /nfs/dbraw/zinc/92/33/25/632923325.db2.gz HFHIOJGLDCXZJB-UHFFFAOYSA-N -1 3 239.340 2.378 20 0 BEADHM Cc1nc(NC[C@]2(C)CCCS2)cc(=O)[n-]1 ZINC000165875806 633100859 /nfs/dbraw/zinc/10/08/59/633100859.db2.gz KVFOBZMMOBUFRY-NSHDSACASA-N -1 3 239.344 2.188 20 0 BEADHM CC[C@@H]1CC[C@H](C)N1c1cc(=O)[n-]c(C)n1 ZINC000893093063 633827686 /nfs/dbraw/zinc/82/76/86/633827686.db2.gz UBRGDJNZGUGCMX-WCBMZHEXSA-N -1 3 221.304 2.258 20 0 BEADHM O=C([N-]OCc1ccccn1)C1(C2CC2)CCC1 ZINC000909522152 636146344 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CCN(C)Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001596193307 983575277 /nfs/dbraw/zinc/57/52/77/983575277.db2.gz TYKGGBHPSHTHRA-UHFFFAOYSA-N -1 3 222.288 2.042 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@H]1CCCC[C@H]1F ZINC001226077767 974779395 /nfs/dbraw/zinc/77/93/95/974779395.db2.gz WFCPULXFGMSHOR-BDAKNGLRSA-N -1 3 226.251 2.150 20 0 BEADHM COC[C@H](C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226117470 974798867 /nfs/dbraw/zinc/79/88/67/974798867.db2.gz OIGILPLFPCHTAT-ZETCQYMHSA-N -1 3 240.328 2.056 20 0 BEADHM CCOc1ccc([N-]c2nnc(C)o2)c(C)n1 ZINC001215577047 970794917 /nfs/dbraw/zinc/79/49/17/970794917.db2.gz QWOSOYDKEDUORG-UHFFFAOYSA-N -1 3 234.259 2.224 20 0 BEADHM COc1cncc(Nc2ncc(F)cc2[O-])c1C ZINC001215732303 970818017 /nfs/dbraw/zinc/81/80/17/970818017.db2.gz LYSVZDLKNCRGQX-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM COc1nonc1[N-]c1cc(C)cc(C)c1OC ZINC001215996833 970894021 /nfs/dbraw/zinc/89/40/21/970894021.db2.gz RVAXPEPQTZUPRK-UHFFFAOYSA-N -1 3 249.270 2.447 20 0 BEADHM CN1CC=C(Nc2ccc(C(=O)[O-])cc2)CC1 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QPECMZDZCRAHQA-UHFFFAOYSA-N -1 3 247.277 2.088 20 0 BEADHM Cc1ccc(NC2CC(F)C2)cc1-c1nn[n-]n1 ZINC001162217357 964875858 /nfs/dbraw/zinc/87/58/58/964875858.db2.gz QPECMZDZCRAHQA-UHFFFAOYSA-N -1 3 247.277 2.088 20 0 BEADHM CC(=O)[C@@H]1CCCCN1Cc1nc(C)ccc1[O-] ZINC001231674372 965280113 /nfs/dbraw/zinc/28/01/13/965280113.db2.gz QYCUALYOANERQG-ZDUSSCGKSA-N -1 3 248.326 2.039 20 0 BEADHM CC1(C)CN(Cc2cccc([O-])c2F)CCO1 ZINC001233050245 965460986 /nfs/dbraw/zinc/46/09/86/965460986.db2.gz NNGWKWPCJPAWAM-UHFFFAOYSA-N -1 3 239.290 2.142 20 0 BEADHM [O-]c1cccc(CN2C[C@@H](F)[C@@H](F)C2)c1F ZINC001233050243 965462833 /nfs/dbraw/zinc/46/28/33/965462833.db2.gz NLQIRCNMGSOMAA-DTORHVGOSA-N -1 3 231.217 2.023 20 0 BEADHM COc1ccc(CN(C)C/C=C(/C)C(=O)[O-])cc1 ZINC000088630468 965508378 /nfs/dbraw/zinc/50/83/78/965508378.db2.gz AOETZSSBPNHYME-FLIBITNWSA-N -1 3 249.310 2.158 20 0 BEADHM F[C@@H]1COCC[C@H]1Oc1nc2ccsc2[n-]1 ZINC001234856187 965893766 /nfs/dbraw/zinc/89/37/66/965893766.db2.gz 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212.220 2.198 20 0 BEADHM COc1ccccc1C([O-])=Cc1conc1C ZINC001249892258 967133679 /nfs/dbraw/zinc/13/36/79/967133679.db2.gz XSQIULJULWWYSO-UHFFFAOYSA-N -1 3 231.251 2.417 20 0 BEADHM CCC(=O)Cc1c(F)ccc([O-])c1F ZINC001249921569 967165383 /nfs/dbraw/zinc/16/53/83/967165383.db2.gz NBHHQJPRJMXAIP-UHFFFAOYSA-N -1 3 200.184 2.192 20 0 BEADHM C1=C(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001239788832 967184006 /nfs/dbraw/zinc/18/40/06/967184006.db2.gz XPFXJORMGCGJFJ-UHFFFAOYSA-N -1 3 212.256 2.434 20 0 BEADHM C1=C(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001239788832 967184009 /nfs/dbraw/zinc/18/40/09/967184009.db2.gz XPFXJORMGCGJFJ-UHFFFAOYSA-N -1 3 212.256 2.434 20 0 BEADHM [O-]c1cc(Nc2ccncc2)c(F)c(F)c1F ZINC001249957687 967200860 /nfs/dbraw/zinc/20/08/60/967200860.db2.gz FGPJGDOUBLFEDG-UHFFFAOYSA-N -1 3 240.184 2.370 20 0 BEADHM Cc1cc2cc(Nc3cnc[n-]c3=O)cnc2[nH]1 ZINC001204910897 967230721 /nfs/dbraw/zinc/23/07/21/967230721.db2.gz FXOUSYRDDOQKAS-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM Nc1ccc2c(cnn2-c2c([O-])cccc2F)c1 ZINC001249992913 967245247 /nfs/dbraw/zinc/24/52/47/967245247.db2.gz MMJRHONSSYDRPW-UHFFFAOYSA-N -1 3 243.241 2.452 20 0 BEADHM CCn1nccc1[N-]c1nnc(C(C)C)o1 ZINC001205268679 967462721 /nfs/dbraw/zinc/46/27/21/967462721.db2.gz SYJQEQAZFONECJ-UHFFFAOYSA-N -1 3 221.264 2.153 20 0 BEADHM [O-]c1c(F)cc(F)cc1Nc1ncccn1 ZINC001212475333 967477841 /nfs/dbraw/zinc/47/78/41/967477841.db2.gz GOZZFGKPCQVHIG-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM COc1cc(Nc2cc(F)cc(F)c2[O-])no1 ZINC001212479885 967482636 /nfs/dbraw/zinc/48/26/36/967482636.db2.gz XGEHBMYNSXIMFG-UHFFFAOYSA-N -1 3 242.181 2.411 20 0 BEADHM CC(C)(C)CNc1ccccc1-c1nnn[n-]1 ZINC000095204699 967556303 /nfs/dbraw/zinc/55/63/03/967556303.db2.gz YAAFMHWCASYSRL-UHFFFAOYSA-N -1 3 231.303 2.325 20 0 BEADHM CC(C)(C)CNc1ccccc1-c1nn[n-]n1 ZINC000095204699 967556313 /nfs/dbraw/zinc/55/63/13/967556313.db2.gz YAAFMHWCASYSRL-UHFFFAOYSA-N -1 3 231.303 2.325 20 0 BEADHM Cc1ccnc(F)c1Nc1cc(=O)[n-]c(C)n1 ZINC001212554852 967871133 /nfs/dbraw/zinc/87/11/33/967871133.db2.gz RHDVJALGTSJENH-UHFFFAOYSA-N -1 3 234.234 2.077 20 0 BEADHM Cc1cccnc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001250472560 967898454 /nfs/dbraw/zinc/89/84/54/967898454.db2.gz YPVMNOFEDZRYSZ-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1cccnc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001250472560 967898457 /nfs/dbraw/zinc/89/84/57/967898457.db2.gz YPVMNOFEDZRYSZ-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM O=C1Cc2cc(-c3ccc([O-])cc3F)ncc2N1 ZINC001206021153 967977366 /nfs/dbraw/zinc/97/73/66/967977366.db2.gz HAKVDLNYAZDWLR-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM COc1nnc(-c2ccc([O-])cc2F)cc1C ZINC001206029752 967988308 /nfs/dbraw/zinc/98/83/08/967988308.db2.gz HWMQQJONKHRLHN-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM Cc1cc(N(C)C)nc(-c2ccc([O-])cc2F)n1 ZINC001206038424 968002955 /nfs/dbraw/zinc/00/29/55/968002955.db2.gz YGBNDHMBNVLWQM-UHFFFAOYSA-N -1 3 247.273 2.363 20 0 BEADHM [O-]c1ccc(-c2ncnc3c2COC3)c(F)c1 ZINC001206044250 968005487 /nfs/dbraw/zinc/00/54/87/968005487.db2.gz GTEOCKBGAVVIDA-UHFFFAOYSA-N -1 3 232.214 2.019 20 0 BEADHM Cc1ccc(Nc2cc(=O)[n-]c(C)n2)c(O)c1 ZINC001206254583 968171523 /nfs/dbraw/zinc/17/15/23/968171523.db2.gz CNTNSHOTJNLHPE-UHFFFAOYSA-N -1 3 231.255 2.248 20 0 BEADHM CNc1ccc(CNc2ccc(=S)[n-]n2)cc1 ZINC001164151101 968181281 /nfs/dbraw/zinc/18/12/81/968181281.db2.gz FQINGHQIDDKZST-UHFFFAOYSA-N -1 3 246.339 2.419 20 0 BEADHM CC(C)(C)O[N-]C(=O)C[C@H]1Cc2ccccc2O1 ZINC001331803706 968207189 /nfs/dbraw/zinc/20/71/89/968207189.db2.gz VQFTXQIMOYMYDJ-LLVKDONJSA-N -1 3 249.310 2.227 20 0 BEADHM Fc1cc2nc(-c3ncco3)[n-]c2c(F)c1 ZINC001250924505 968216495 /nfs/dbraw/zinc/21/64/95/968216495.db2.gz WHRRGKJCVLPXMJ-UHFFFAOYSA-N -1 3 221.166 2.496 20 0 BEADHM Fc1cc2[n-]c(-c3ncco3)nc2c(F)c1 ZINC001250924505 968216503 /nfs/dbraw/zinc/21/65/03/968216503.db2.gz WHRRGKJCVLPXMJ-UHFFFAOYSA-N -1 3 221.166 2.496 20 0 BEADHM CC[C@@H](O)CNc1nc2c(cccc2[O-])s1 ZINC001251751010 968312336 /nfs/dbraw/zinc/31/23/36/968312336.db2.gz GUERWFCRVWVGKR-SSDOTTSWSA-N -1 3 238.312 2.185 20 0 BEADHM NC(=O)c1ccc(F)cc1-c1ccc([O-])c(F)c1 ZINC001240789783 968691055 /nfs/dbraw/zinc/69/10/55/968691055.db2.gz DRUXEEZRGXOWFN-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM COc1ncc(OC)c(-c2ccc(C)cc2[O-])n1 ZINC001241030063 968866560 /nfs/dbraw/zinc/86/65/60/968866560.db2.gz BKFYZFXGHCFWFE-UHFFFAOYSA-N -1 3 246.266 2.175 20 0 BEADHM Cc1cccc(CO[N-]C(=O)C[C@H]2C=CCC2)n1 ZINC001331885683 969098104 /nfs/dbraw/zinc/09/81/04/969098104.db2.gz IUDIMEZPSVETSL-LBPRGKRZSA-N -1 3 246.310 2.294 20 0 BEADHM Nc1cncc(-c2ccc(F)cc2[O-])c1 ZINC001242217942 969325962 /nfs/dbraw/zinc/32/59/62/969325962.db2.gz NHMNKTNHRXOCKF-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM CC(C)[C@H](O)CNc1ccc(F)c(F)c1[O-] ZINC001253773475 969394957 /nfs/dbraw/zinc/39/49/57/969394957.db2.gz FZZMOQDDLRLUEI-SECBINFHSA-N -1 3 231.242 2.099 20 0 BEADHM CCCc1nnc(Cc2ccc([O-])cc2F)o1 ZINC001253968020 969432682 /nfs/dbraw/zinc/43/26/82/969432682.db2.gz LTFMPICRMTVXHE-UHFFFAOYSA-N -1 3 236.246 2.458 20 0 BEADHM [O-]c1ccc(Cc2nnc(C3CC3)o2)cc1F ZINC001254043267 969457197 /nfs/dbraw/zinc/45/71/97/969457197.db2.gz KQLXHEUCINWOMZ-UHFFFAOYSA-N -1 3 234.230 2.383 20 0 BEADHM COc1cccc(-c2nnc(C3CC3)o2)c1[O-] ZINC001254049197 969460897 /nfs/dbraw/zinc/46/08/97/969460897.db2.gz UMKXUBDITOWDQI-UHFFFAOYSA-N -1 3 232.239 2.328 20 0 BEADHM CCc1cn(-c2ccc(Cl)cc2[O-])nn1 ZINC001254165175 969534282 /nfs/dbraw/zinc/53/42/82/969534282.db2.gz OWEJUQWGVYNQKU-UHFFFAOYSA-N -1 3 223.663 2.189 20 0 BEADHM Nc1cc(C2CC2)nn1-c1ccc(F)cc1[O-] ZINC001210014196 969755347 /nfs/dbraw/zinc/75/53/47/969755347.db2.gz HPVGJJMMMNAASZ-UHFFFAOYSA-N -1 3 233.246 2.177 20 0 BEADHM Cc1cc(NCc2ncccc2[O-])cnc1C ZINC001169733519 969838187 /nfs/dbraw/zinc/83/81/87/969838187.db2.gz XPFZOJOKIOCZLF-UHFFFAOYSA-N -1 3 229.283 2.411 20 0 BEADHM Cn1ccc([N-]c2cc(-c3ccncc3)no2)n1 ZINC001210347380 969874050 /nfs/dbraw/zinc/87/40/50/969874050.db2.gz AHEUQNOXIBQDRG-UHFFFAOYSA-N -1 3 241.254 2.214 20 0 BEADHM Cn1ccc([N-]c2cc(-c3ccco3)no2)n1 ZINC001210349545 969876215 /nfs/dbraw/zinc/87/62/15/969876215.db2.gz VQGHRJQALDCGPN-UHFFFAOYSA-N -1 3 230.227 2.412 20 0 BEADHM CN(C)c1cncc(Nc2ncc(F)cc2[O-])c1 ZINC001210473679 969901267 /nfs/dbraw/zinc/90/12/67/969901267.db2.gz ZHOPSNWMOIBOKH-UHFFFAOYSA-N -1 3 248.261 2.131 20 0 BEADHM COCOc1ccc([N-]c2nnco2)c(C)c1 ZINC001210489649 969907302 /nfs/dbraw/zinc/90/73/02/969907302.db2.gz DNNAHBFWTTUMCN-UHFFFAOYSA-N -1 3 235.243 2.104 20 0 BEADHM Cc1nonc1[N-]c1cncc(N2CCCC2)c1 ZINC001210603351 969976649 /nfs/dbraw/zinc/97/66/49/969976649.db2.gz FYNOQYCPNVYTGS-UHFFFAOYSA-N -1 3 245.286 2.117 20 0 BEADHM Cc1ccc(CO)cc1Nc1cnc(C)[n-]c1=O ZINC001210677258 969998540 /nfs/dbraw/zinc/99/85/40/969998540.db2.gz ITEJKLZRSSIRJE-UHFFFAOYSA-N -1 3 245.282 2.035 20 0 BEADHM Cc1ccc([O-])c(-c2nnc(C3CCC3)o2)n1 ZINC001255233475 970011058 /nfs/dbraw/zinc/01/10/58/970011058.db2.gz SLULYXJWQNPZOD-UHFFFAOYSA-N -1 3 231.255 2.413 20 0 BEADHM [O-]c1ccc(-c2ncc3c(n2)CCC3)c(F)c1 ZINC001206029785 970025211 /nfs/dbraw/zinc/02/52/11/970025211.db2.gz JSDBMUNDLYMBIW-UHFFFAOYSA-N -1 3 230.242 2.477 20 0 BEADHM Cc1ncc(Nc2cc(O)ccc2F)c(=O)[n-]1 ZINC001210802696 970043906 /nfs/dbraw/zinc/04/39/06/970043906.db2.gz QOJZFBRURAOCTH-UHFFFAOYSA-N -1 3 235.218 2.079 20 0 BEADHM Nc1cnncc1Nc1cccc([O-])c1Cl ZINC001210853749 970052908 /nfs/dbraw/zinc/05/29/08/970052908.db2.gz HZPZNCZACQBRQJ-UHFFFAOYSA-N -1 3 236.662 2.161 20 0 BEADHM Nc1cncn1-c1cc(Cl)c([O-])c(Cl)c1 ZINC001210925938 970074272 /nfs/dbraw/zinc/07/42/72/970074272.db2.gz DOTPPOSNKUFIKU-UHFFFAOYSA-N -1 3 244.081 2.467 20 0 BEADHM Fc1ccc(-c2nccs2)cc1-c1nnn[n-]1 ZINC001242898333 970138678 /nfs/dbraw/zinc/13/86/78/970138678.db2.gz YYWZSEBEQYMMHL-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM Fc1ccc(-c2nccs2)cc1-c1nn[n-]n1 ZINC001242898333 970138685 /nfs/dbraw/zinc/13/86/85/970138685.db2.gz YYWZSEBEQYMMHL-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM Cc1ncc(Nc2cnccc2Cl)c(=O)[n-]1 ZINC001211209591 970171908 /nfs/dbraw/zinc/17/19/08/970171908.db2.gz PCYHYUPLFPPTMK-UHFFFAOYSA-N -1 3 236.662 2.283 20 0 BEADHM Nc1cccc2cn(-c3ccc(F)c([O-])c3)nc21 ZINC001211217394 970176630 /nfs/dbraw/zinc/17/66/30/970176630.db2.gz NPAVJNIQHVMHBH-UHFFFAOYSA-N -1 3 243.241 2.452 20 0 BEADHM [O-]c1ccc(-c2ccnc(F)n2)c(F)c1 ZINC001206036890 970309081 /nfs/dbraw/zinc/30/90/81/970309081.db2.gz AAUHTMIQGCYSEW-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM Cc1nnc([N-]c2cc(C)ccc2O)o1 ZINC001214217024 970471115 /nfs/dbraw/zinc/47/11/15/970471115.db2.gz MOCOLUSEWHEHMP-UHFFFAOYSA-N -1 3 205.217 2.136 20 0 BEADHM Cn1nncc1Nc1c(Cl)ccc([O-])c1F ZINC001214558476 970509588 /nfs/dbraw/zinc/50/95/88/970509588.db2.gz XGRLKNAHKHASEJ-UHFFFAOYSA-N -1 3 242.641 2.057 20 0 BEADHM Cc1ncc(-c2cccc(-c3nnn[n-]3)c2)s1 ZINC001243381801 970513332 /nfs/dbraw/zinc/51/33/32/970513332.db2.gz UXUAEKOQVPRKAE-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM Cc1ncc(-c2cccc(-c3nn[n-]n3)c2)s1 ZINC001243381801 970513340 /nfs/dbraw/zinc/51/33/40/970513340.db2.gz UXUAEKOQVPRKAE-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM CN1CC(CNc2cc(F)ccc2[S-])C1 ZINC001170256805 970640217 /nfs/dbraw/zinc/64/02/17/970640217.db2.gz XFSAFTNAWNBJOA-UHFFFAOYSA-N -1 3 226.320 2.088 20 0 BEADHM CN1CC(CNc2ccc3oc(=S)[n-]c3c2)C1 ZINC001170254864 970666231 /nfs/dbraw/zinc/66/62/31/970666231.db2.gz VTTXBYKSWNDJTK-UHFFFAOYSA-N -1 3 249.339 2.090 20 0 BEADHM C[C@@]1(C(=O)[N-]OCC2CC2)CC=CCC1 ZINC001328027861 972855252 /nfs/dbraw/zinc/85/52/52/972855252.db2.gz WAYZOXXCMZVNOP-GFCCVEGCSA-N -1 3 209.289 2.191 20 0 BEADHM O=C(Nc1ccc(F)c([O-])c1)C1CC=CC1 ZINC001146697943 973196980 /nfs/dbraw/zinc/19/69/80/973196980.db2.gz CQJBTVJSBTXQGT-UHFFFAOYSA-N -1 3 221.231 2.436 20 0 BEADHM Cc1nc(C)c(C(=O)Nc2cncc([O-])c2)s1 ZINC001147230603 973488395 /nfs/dbraw/zinc/48/83/95/973488395.db2.gz BYMZAJZYVUJZOG-UHFFFAOYSA-N -1 3 249.295 2.113 20 0 BEADHM Cc1ccc(C(=O)N2C[C@@H]3C[C@@H]3[C@@H](F)C2)c([O-])c1 ZINC001148499162 973850737 /nfs/dbraw/zinc/85/07/37/973850737.db2.gz XRDAPWUIAHCLMG-DLOVCJGASA-N -1 3 249.285 2.131 20 0 BEADHM Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[C@H]3F)c([O-])c1 ZINC001148504555 973853371 /nfs/dbraw/zinc/85/33/71/973853371.db2.gz XMVDLEWDLMIELQ-JBLDHEPKSA-N -1 3 249.285 2.273 20 0 BEADHM Cc1ccc(C(=O)N2CC(F)(C3CC3)C2)c([O-])c1 ZINC001148493012 973853393 /nfs/dbraw/zinc/85/33/93/973853393.db2.gz YEWVEXYWHPLQME-UHFFFAOYSA-N -1 3 249.285 2.275 20 0 BEADHM CC(C)(C)O[N-]C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001329639703 973863867 /nfs/dbraw/zinc/86/38/67/973863867.db2.gz IVHNEDQILOJACJ-FRRDWIJNSA-N -1 3 245.322 2.419 20 0 BEADHM [O-]c1coc2cc(O[C@@H]3C[C@H]4C[C@H]4C3)ccc12 ZINC001225341650 974416258 /nfs/dbraw/zinc/41/62/58/974416258.db2.gz CKUSYCVVYLFYMJ-DOFRTFSJSA-N -1 3 230.263 2.439 20 0 BEADHM C[C@@H]1C[C@H](Oc2ccc3c([O-])coc3c2)CCO1 ZINC001225340375 974418471 /nfs/dbraw/zinc/41/84/71/974418471.db2.gz KOTDOFCPAZWBPB-MWLCHTKSSA-N -1 3 248.278 2.208 20 0 BEADHM C[C@@H](Oc1ccc2c([O-])coc2c1)C1CC1 ZINC001225339828 974419222 /nfs/dbraw/zinc/41/92/22/974419222.db2.gz TXOFITHOCDGHNG-MRVPVSSYSA-N -1 3 218.252 2.439 20 0 BEADHM O=C1CCC(Oc2ccc3c([O-])coc3c2)CC1 ZINC001225340023 974419475 /nfs/dbraw/zinc/41/94/75/974419475.db2.gz ZZUCNLAIRVNPRW-UHFFFAOYSA-N -1 3 246.262 2.152 20 0 BEADHM [O-]c1coc2cc(OC3CCC3)ccc12 ZINC001225341827 974419594 /nfs/dbraw/zinc/41/95/94/974419594.db2.gz DTVGKBZTJKNMPL-UHFFFAOYSA-N -1 3 204.225 2.193 20 0 BEADHM O=C(CC1CCC1)[N-]Oc1ccccc1F ZINC001330769844 974461915 /nfs/dbraw/zinc/46/19/15/974461915.db2.gz YKGZHFYODBHOCU-UHFFFAOYSA-N -1 3 223.247 2.426 20 0 BEADHM O=c1ncc(C(F)(F)F)c(O[C@@H]2C=CCC2)[n-]1 ZINC001225576876 974562767 /nfs/dbraw/zinc/56/27/67/974562767.db2.gz OOTMRDQWEYMWST-ZCFIWIBFSA-N -1 3 246.188 2.298 20 0 BEADHM Cc1cnc(=S)[n-]c1O[C@@H]1CCO[C@@H](C)C1 ZINC001225741550 974664313 /nfs/dbraw/zinc/66/43/13/974664313.db2.gz XKMYQZAVOPPGJT-DTWKUNHWSA-N -1 3 240.328 2.020 20 0 BEADHM CC(=O)c1ccc([O-])c(OCCOC(C)C)c1 ZINC001225998569 974757838 /nfs/dbraw/zinc/75/78/38/974757838.db2.gz NPZBVNAPRUIXOG-UHFFFAOYSA-N -1 3 238.283 2.399 20 0 BEADHM CCCCOC[C@@H](C)Oc1nc[n-]c(=O)c1C ZINC001226076627 974780596 /nfs/dbraw/zinc/78/05/96/974780596.db2.gz MXSCQZIQWGIGKL-SECBINFHSA-N -1 3 240.303 2.075 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@@H](C)c1ccccc1 ZINC001226460743 974910575 /nfs/dbraw/zinc/91/05/75/974910575.db2.gz GSJWGQOFRZSPET-VIFPVBQESA-N -1 3 231.255 2.026 20 0 BEADHM CC[C@H]1CCCC[C@@H]1Oc1[n-]c(=O)nnc1C ZINC001226461001 974911673 /nfs/dbraw/zinc/91/16/73/974911673.db2.gz JENYTEGRCQBTFE-UWVGGRQHSA-N -1 3 237.303 2.233 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@H](CC(C)C)C(C)C ZINC001226461484 974912093 /nfs/dbraw/zinc/91/20/93/974912093.db2.gz QJGYPEDFGBKBTD-SNVBAGLBSA-N -1 3 239.319 2.335 20 0 BEADHM CC[C@@H](C)CC[C@@H](C)Oc1[n-]c(=O)nnc1C ZINC001226464214 974914908 /nfs/dbraw/zinc/91/49/08/974914908.db2.gz NKPJEEBUBIWYLL-RKDXNWHRSA-N -1 3 239.319 2.479 20 0 BEADHM CCc1nc(O[C@@H]2CCCC[C@H]2F)cc(=O)[n-]1 ZINC001226474281 974921489 /nfs/dbraw/zinc/92/14/89/974921489.db2.gz DXQYSDNTUAGXAN-RKDXNWHRSA-N -1 3 240.278 2.404 20 0 BEADHM CCc1nc(O[C@@H](C)Cc2ccco2)cc(=O)[n-]1 ZINC001226476914 974922924 /nfs/dbraw/zinc/92/29/24/974922924.db2.gz UHAINCAKEFKYQB-VIFPVBQESA-N -1 3 248.282 2.348 20 0 BEADHM CCCC[C@@H](C)Oc1cc(=O)[n-]c(C)n1 ZINC001226510048 974931410 /nfs/dbraw/zinc/93/14/10/974931410.db2.gz HMRCRQCICLBNHN-MRVPVSSYSA-N -1 3 210.277 2.448 20 0 BEADHM Cc1nc(O[C@@H]2CCCC[C@@H]2F)cc(=O)[n-]1 ZINC001226510611 974932762 /nfs/dbraw/zinc/93/27/62/974932762.db2.gz DDQGRJRYPHXXEV-DTWKUNHWSA-N -1 3 226.251 2.150 20 0 BEADHM Cc1nc(O[C@H](C)c2ccncc2F)cc(=O)[n-]1 ZINC001226511635 974935049 /nfs/dbraw/zinc/93/50/49/974935049.db2.gz HETKSVAVPXZZRV-SSDOTTSWSA-N -1 3 249.245 2.165 20 0 BEADHM CCc1[n-]n(Cc2ccccn2)c(=O)c1C(C)C ZINC001332222039 975011554 /nfs/dbraw/zinc/01/15/54/975011554.db2.gz KBOMHQANEQVSOK-ZDUSSCGKSA-N -1 3 245.326 2.462 20 0 BEADHM O=C1OCCC[C@H]1Oc1cccc([O-])c1Cl ZINC001226708970 975038590 /nfs/dbraw/zinc/03/85/90/975038590.db2.gz JTJQVKOFCVEXSL-SECBINFHSA-N -1 3 242.658 2.130 20 0 BEADHM O=C1CC[C@@H](COc2cccc([O-])c2Cl)O1 ZINC001226710263 975041375 /nfs/dbraw/zinc/04/13/75/975041375.db2.gz XEHYUBHCGWSDJP-ZETCQYMHSA-N -1 3 242.658 2.130 20 0 BEADHM CCN1CC(Oc2cccc([O-])c2Cl)C1 ZINC001226712186 975043692 /nfs/dbraw/zinc/04/36/92/975043692.db2.gz PVMAWPNFARTAKP-UHFFFAOYSA-N -1 3 227.691 2.129 20 0 BEADHM CC[C@H]1CC[C@@H]([NH2+]CCCCP(=O)([O-])[O-])C1 ZINC001173264395 975124769 /nfs/dbraw/zinc/12/47/69/975124769.db2.gz SFIPXUUQEZPDQI-WDEREUQCSA-N -1 3 249.291 2.113 20 0 BEADHM S=c1nccc(O[C@@H]2C[C@H]3C=C[C@@H]2C3)[n-]1 ZINC001226938850 975163810 /nfs/dbraw/zinc/16/38/10/975163810.db2.gz DWSWQQVVPIBRED-DJLDLDEBSA-N -1 3 220.297 2.109 20 0 BEADHM CO[C@H]1CCCC[C@@H]1Oc1ccnc(=S)[n-]1 ZINC001226941919 975166466 /nfs/dbraw/zinc/16/64/66/975166466.db2.gz FOCWXILNNPWLJN-IUCAKERBSA-N -1 3 240.328 2.102 20 0 BEADHM C[C@H](Cc1ccco1)Oc1ccnc(=S)[n-]1 ZINC001226940171 975167679 /nfs/dbraw/zinc/16/76/79/975167679.db2.gz OYXJCVDQFIWKBM-MRVPVSSYSA-N -1 3 236.296 2.368 20 0 BEADHM COC1CCC(Oc2ccnc(=S)[n-]2)CC1 ZINC001226940053 975168013 /nfs/dbraw/zinc/16/80/13/975168013.db2.gz MUOSCAJYPKASQZ-UHFFFAOYSA-N -1 3 240.328 2.102 20 0 BEADHM S=c1nccc(O[C@@H]2CCc3cccnc32)[n-]1 ZINC001226940061 975168104 /nfs/dbraw/zinc/16/81/04/975168104.db2.gz NBWWFBTZDGOYPV-SECBINFHSA-N -1 3 245.307 2.227 20 0 BEADHM Cc1cnc(F)c([C@H](C)Oc2cc(=O)[n-]cn2)c1 ZINC001226945286 975176124 /nfs/dbraw/zinc/17/61/24/975176124.db2.gz RWUXZQBYGNZKCQ-QMMMGPOBSA-N -1 3 249.245 2.165 20 0 BEADHM C[C@H](COc1ccc(=O)[n-]n1)Oc1ccccc1 ZINC001227093292 975262240 /nfs/dbraw/zinc/26/22/40/975262240.db2.gz KQTKAFHTSSBEEJ-SNVBAGLBSA-N -1 3 246.266 2.029 20 0 BEADHM C[C@@H](Oc1ccc(=O)[n-]n1)c1cccc(F)c1 ZINC001227093281 975262634 /nfs/dbraw/zinc/26/26/34/975262634.db2.gz KIQUCRDXFWBCEL-MRVPVSSYSA-N -1 3 234.230 2.461 20 0 BEADHM COc1cccc([C@H](C)Oc2ccc(=O)[n-]n2)c1 ZINC001227094743 975269235 /nfs/dbraw/zinc/26/92/35/975269235.db2.gz JNTTXIYBKHJMSA-VIFPVBQESA-N -1 3 246.266 2.331 20 0 BEADHM C[C@@H](NCc1nc2ccccc2o1)[C@@H](C)C(=O)[O-] ZINC001333120608 975455371 /nfs/dbraw/zinc/45/53/71/975455371.db2.gz DYQPQNCKNQKSNQ-RKDXNWHRSA-N -1 3 248.282 2.027 20 0 BEADHM NC(=O)c1ccc(Nc2ccsc2)cc1[O-] ZINC001173821991 975608592 /nfs/dbraw/zinc/60/85/92/975608592.db2.gz NSMOGPXBRRHNDL-UHFFFAOYSA-N -1 3 234.280 2.296 20 0 BEADHM C=Cc1c[n-]c(=O)nc1OC1CCCC1 ZINC001227712349 975627003 /nfs/dbraw/zinc/62/70/03/975627003.db2.gz BSUWPRMRWJTWEL-UHFFFAOYSA-N -1 3 206.245 2.147 20 0 BEADHM C=Cc1c[n-]c(=O)nc1O[C@@H](C)C1CCC1 ZINC001227712906 975638149 /nfs/dbraw/zinc/63/81/49/975638149.db2.gz HZMLJOUVKPOSMR-QMMMGPOBSA-N -1 3 220.272 2.393 20 0 BEADHM Cc1ccc(Nc2cnc[n-]c2=O)cc1 ZINC001173802806 975682761 /nfs/dbraw/zinc/68/27/61/975682761.db2.gz RYPXOHVGDSHPPC-UHFFFAOYSA-N -1 3 201.229 2.234 20 0 BEADHM O=c1[n-]cncc1Nc1ccc(F)c(F)c1 ZINC001173867575 975811043 /nfs/dbraw/zinc/81/10/43/975811043.db2.gz HZJZTFVGSAFLTM-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM O=c1[n-]cncc1Nc1cc(F)ccc1F ZINC001173949353 976103317 /nfs/dbraw/zinc/10/33/17/976103317.db2.gz ATLGMJWFPNZLRK-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM CC(C)CO[N-]C(=O)C[C@@H]1CC=CCC1 ZINC001334247518 976402714 /nfs/dbraw/zinc/40/27/14/976402714.db2.gz KBTOTXQQOQRWQV-LLVKDONJSA-N -1 3 211.305 2.437 20 0 BEADHM CC[C@@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228695109 976437985 /nfs/dbraw/zinc/43/79/85/976437985.db2.gz JOWBQSMMBGOAMX-MRVPVSSYSA-N -1 3 218.260 2.044 20 0 BEADHM CC[C@@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228695109 976437996 /nfs/dbraw/zinc/43/79/96/976437996.db2.gz JOWBQSMMBGOAMX-MRVPVSSYSA-N -1 3 218.260 2.044 20 0 BEADHM Cc1ccc([N-]c2nonc2C2CC2)cn1 ZINC001174281671 976438786 /nfs/dbraw/zinc/43/87/86/976438786.db2.gz JJDVFFNWSOEUCM-UHFFFAOYSA-N -1 3 216.244 2.394 20 0 BEADHM C[C@@H](Oc1nnc(-c2cccnc2)[n-]1)C1CC1 ZINC001228693691 976439901 /nfs/dbraw/zinc/43/99/01/976439901.db2.gz CEZMKDBBFMNCRX-MRVPVSSYSA-N -1 3 230.271 2.044 20 0 BEADHM C[C@@H](Oc1nc(-c2cccnc2)n[n-]1)C1CC1 ZINC001228693691 976439905 /nfs/dbraw/zinc/43/99/05/976439905.db2.gz CEZMKDBBFMNCRX-MRVPVSSYSA-N -1 3 230.271 2.044 20 0 BEADHM C[C@@H](Oc1n[n-]c(-c2cccnc2)n1)C1CC1 ZINC001228693691 976439909 /nfs/dbraw/zinc/43/99/09/976439909.db2.gz CEZMKDBBFMNCRX-MRVPVSSYSA-N -1 3 230.271 2.044 20 0 BEADHM C[C@@H]1CC[C@H](Oc2nnc(-c3cccnc3)[n-]2)C1 ZINC001228695889 976440066 /nfs/dbraw/zinc/44/00/66/976440066.db2.gz SEOYVWWEHTWVFK-KOLCDFICSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@@H]1CC[C@H](Oc2nc(-c3cccnc3)n[n-]2)C1 ZINC001228695889 976440070 /nfs/dbraw/zinc/44/00/70/976440070.db2.gz SEOYVWWEHTWVFK-KOLCDFICSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@@H]1CC[C@H](Oc2n[n-]c(-c3cccnc3)n2)C1 ZINC001228695889 976440075 /nfs/dbraw/zinc/44/00/75/976440075.db2.gz SEOYVWWEHTWVFK-KOLCDFICSA-N -1 3 244.298 2.434 20 0 BEADHM [O-]c1c(F)cc(Nc2cn[nH]c2)cc1F ZINC001174295954 976476306 /nfs/dbraw/zinc/47/63/06/976476306.db2.gz CCZBWROSUZCDQI-UHFFFAOYSA-N -1 3 211.171 2.137 20 0 BEADHM Cc1sc(CNCC(C)(C)C)nc1C(=O)[O-] ZINC001334409024 976501158 /nfs/dbraw/zinc/50/11/58/976501158.db2.gz XQUDBORNCVXKHB-UHFFFAOYSA-N -1 3 242.344 2.285 20 0 BEADHM O=C1CCc2cc([O-])c(O[C@H]3CCCOC3)cc21 ZINC001228855027 976537588 /nfs/dbraw/zinc/53/75/88/976537588.db2.gz AQYLXJQRCUGINJ-JTQLQIEISA-N -1 3 248.278 2.079 20 0 BEADHM CC(C)CCn1cc(Nc2cnc[n-]c2=O)cn1 ZINC001174412518 976706683 /nfs/dbraw/zinc/70/66/83/976706683.db2.gz WEMHEFYHRMTQHA-UHFFFAOYSA-N -1 3 247.302 2.168 20 0 BEADHM C[C@H](CCCCC(=O)[O-])NCc1cscn1 ZINC001334828434 976723655 /nfs/dbraw/zinc/72/36/55/976723655.db2.gz OBIIBUPKMKPZKQ-SECBINFHSA-N -1 3 242.344 2.266 20 0 BEADHM CC(C)O[N-]C(=O)C[C@@H](C)c1ccncc1 ZINC001335157328 976868950 /nfs/dbraw/zinc/86/89/50/976868950.db2.gz SQYMZWSALCGSRZ-SNVBAGLBSA-N -1 3 222.288 2.031 20 0 BEADHM CCn1cc(Nc2ncc(Cl)cc2[O-])cn1 ZINC001174567585 976886121 /nfs/dbraw/zinc/88/61/21/976886121.db2.gz XCMCXTZJQCCNFZ-UHFFFAOYSA-N -1 3 238.678 2.401 20 0 BEADHM Cc1nc(O[C@H](C)C2CCC2)c(C)c(=O)[n-]1 ZINC001229684489 976941722 /nfs/dbraw/zinc/94/17/22/976941722.db2.gz CGSVCRCMGGDEAF-MRVPVSSYSA-N -1 3 222.288 2.366 20 0 BEADHM Cc1nc(O[C@H](C)C(F)(F)F)c(C)c(=O)[n-]1 ZINC001229684995 976942078 /nfs/dbraw/zinc/94/20/78/976942078.db2.gz IDJNEAAIMCNXJX-RXMQYKEDSA-N -1 3 236.193 2.129 20 0 BEADHM Cc1nc(O[C@H](C)c2ccccn2)c(C)c(=O)[n-]1 ZINC001229685054 976942738 /nfs/dbraw/zinc/94/27/38/976942738.db2.gz JZRRWGORKQFCGE-SECBINFHSA-N -1 3 245.282 2.334 20 0 BEADHM Cc1nc(O[C@H]2C[C@H]3C=C[C@@H]2C3)c(C)c(=O)[n-]1 ZINC001229686016 976943104 /nfs/dbraw/zinc/94/31/04/976943104.db2.gz QMVLSCMFGLSFIY-AXFHLTTASA-N -1 3 232.283 2.142 20 0 BEADHM Cc1nc(OC2CCCC2)c(C)c(=O)[n-]1 ZINC001229687209 976948860 /nfs/dbraw/zinc/94/88/60/976948860.db2.gz ZKTBVUBMWCPOLV-UHFFFAOYSA-N -1 3 208.261 2.120 20 0 BEADHM Cc1nc(O[C@@H]2CC[C@@H](C)C2)c(C)c(=O)[n-]1 ZINC001229686024 976950195 /nfs/dbraw/zinc/95/01/95/976950195.db2.gz QQIWGEHTYFWDJV-GMSGAONNSA-N -1 3 222.288 2.366 20 0 BEADHM C=CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001174792284 977040053 /nfs/dbraw/zinc/04/00/53/977040053.db2.gz XQOOHCGSHPIKRM-UHFFFAOYSA-N -1 3 201.229 2.133 20 0 BEADHM Cc1cc([N-]c2nnc(C(C)(C)C)o2)n(C)n1 ZINC001174821468 977071276 /nfs/dbraw/zinc/07/12/76/977071276.db2.gz JLCRCRPLTIOWQS-UHFFFAOYSA-N -1 3 235.291 2.153 20 0 BEADHM Cc1cc(Nc2cc(F)c([O-])c(F)c2)n(C)n1 ZINC001174826200 977086339 /nfs/dbraw/zinc/08/63/39/977086339.db2.gz QIWDETSSUINKPE-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM [O-]c1cc(F)cnc1Nc1cccc(O)c1 ZINC001174887670 977119746 /nfs/dbraw/zinc/11/97/46/977119746.db2.gz CCKNUMVRJUSZNM-UHFFFAOYSA-N -1 3 220.203 2.376 20 0 BEADHM O=c1[n-]cncc1Nc1cccc2cccnc21 ZINC001174858285 977125979 /nfs/dbraw/zinc/12/59/79/977125979.db2.gz FFFZEFUIGRFRMU-UHFFFAOYSA-N -1 3 238.250 2.474 20 0 BEADHM [O-]c1cc(F)cnc1Nc1ccc(O)cc1 ZINC001175043320 977233393 /nfs/dbraw/zinc/23/33/93/977233393.db2.gz KFVLTOTXKRZDNX-UHFFFAOYSA-N -1 3 220.203 2.376 20 0 BEADHM [O-]c1cc(F)c(Nc2ccncc2F)cc1F ZINC001175201796 977309060 /nfs/dbraw/zinc/30/90/60/977309060.db2.gz NLWQDHCQTXTYCJ-UHFFFAOYSA-N -1 3 240.184 2.370 20 0 BEADHM CCOc1ccc(Nc2cnc[n-]c2=O)c(F)c1 ZINC001175247736 977343832 /nfs/dbraw/zinc/34/38/32/977343832.db2.gz JXQZDDHJNXSVTH-UHFFFAOYSA-N -1 3 249.245 2.464 20 0 BEADHM Cc1c(Nc2c(F)ccc([O-])c2F)ncn1C ZINC001175263211 977361442 /nfs/dbraw/zinc/36/14/42/977361442.db2.gz HDFIWAPYKDVKRD-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM [O-]c1ccc(F)c(Nc2ccno2)c1F ZINC001175262781 977363147 /nfs/dbraw/zinc/36/31/47/977363147.db2.gz KXQOXZDKBOTUMU-UHFFFAOYSA-N -1 3 212.155 2.402 20 0 BEADHM O=c1[n-]cncc1Nc1ccc2ncccc2c1 ZINC001175375615 977401653 /nfs/dbraw/zinc/40/16/53/977401653.db2.gz OURUBPUJIXGMGZ-UHFFFAOYSA-N -1 3 238.250 2.474 20 0 BEADHM COc1ncc([N-]c2ncc(F)s2)s1 ZINC001175387275 977405400 /nfs/dbraw/zinc/40/54/00/977405400.db2.gz PSQCMHOXPYBARN-UHFFFAOYSA-N -1 3 231.277 2.491 20 0 BEADHM O=c1nc(OC2CC2)c(-c2ccccc2)c[n-]1 ZINC001230971813 977412494 /nfs/dbraw/zinc/41/24/94/977412494.db2.gz BWURWBGJAOBVSD-UHFFFAOYSA-N -1 3 228.251 2.390 20 0 BEADHM CCC[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074878 977461926 /nfs/dbraw/zinc/46/19/26/977461926.db2.gz ZPUOUUZWGOKPPD-VIFPVBQESA-N -1 3 232.287 2.434 20 0 BEADHM C[C@H]1CCC[C@H]1Oc1cccc(-c2nnn[n-]2)c1 ZINC001231116858 977483471 /nfs/dbraw/zinc/48/34/71/977483471.db2.gz SHSXNRJCMRJEQE-JOYOIKCWSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H]1CCC[C@H]1Oc1cccc(-c2nn[n-]n2)c1 ZINC001231116858 977483477 /nfs/dbraw/zinc/48/34/77/977483477.db2.gz SHSXNRJCMRJEQE-JOYOIKCWSA-N -1 3 244.298 2.434 20 0 BEADHM CC[C@@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117268 977491861 /nfs/dbraw/zinc/49/18/61/977491861.db2.gz YRAIVAWDNVAEMY-MRVPVSSYSA-N -1 3 218.260 2.044 20 0 BEADHM Cc1ncc(NC=CC(C)(C)C)c(=O)[n-]1 ZINC001175572658 977564258 /nfs/dbraw/zinc/56/42/58/977564258.db2.gz OESDAEARUJFUDM-AATRIKPKSA-N -1 3 207.277 2.462 20 0 BEADHM CC(C)(C)C=CNc1ccc(C(N)=O)c([O-])c1 ZINC001175572326 977565883 /nfs/dbraw/zinc/56/58/83/977565883.db2.gz GDYBXOGXDSVOAD-VOTSOKGWSA-N -1 3 234.299 2.463 20 0 BEADHM COc1nonc1[N-]c1ccc2c(c1)n[nH]c2C ZINC001175659077 977637629 /nfs/dbraw/zinc/63/76/29/977637629.db2.gz FBNZVUNBXODOHL-UHFFFAOYSA-N -1 3 245.242 2.007 20 0 BEADHM COc1nonc1[N-]c1ccc2c(C)n[nH]c2c1 ZINC001175659077 977637636 /nfs/dbraw/zinc/63/76/36/977637636.db2.gz FBNZVUNBXODOHL-UHFFFAOYSA-N -1 3 245.242 2.007 20 0 BEADHM CCCn1nc(C)cc1[N-]c1nnc(C)o1 ZINC001175798339 977693790 /nfs/dbraw/zinc/69/37/90/977693790.db2.gz AKGDBGCPJCVUGS-UHFFFAOYSA-N -1 3 221.264 2.037 20 0 BEADHM Cc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)c(O)c1 ZINC001206254800 977752434 /nfs/dbraw/zinc/75/24/34/977752434.db2.gz GYGFSFOXMZCXSQ-UHFFFAOYSA-N -1 3 249.295 2.229 20 0 BEADHM CC(C)c1nnc([N-]c2ccc3[nH]nnc3c2)o1 ZINC001175997049 977857168 /nfs/dbraw/zinc/85/71/68/977857168.db2.gz YNHYDRBNQVILOA-UHFFFAOYSA-N -1 3 244.258 2.208 20 0 BEADHM Cc1nc(N[C@H](C)c2ncccc2C)cc(=O)[n-]1 ZINC001336758478 977928545 /nfs/dbraw/zinc/92/85/45/977928545.db2.gz DZBHGAIRKZIGNF-SECBINFHSA-N -1 3 244.298 2.367 20 0 BEADHM O=C([O-])CN1CC2(CCCC2)[C@H]1c1ccco1 ZINC001595072593 977945377 /nfs/dbraw/zinc/94/53/77/977945377.db2.gz ZKGVTTULMLAIOB-GFCCVEGCSA-N -1 3 235.283 2.281 20 0 BEADHM COc1nonc1[N-]c1cccc(Cl)c1 ZINC001176219885 977996945 /nfs/dbraw/zinc/99/69/45/977996945.db2.gz PNJYENUHXQOICR-UHFFFAOYSA-N -1 3 225.635 2.475 20 0 BEADHM O=C1CCc2cc(Nc3cnc[n-]c3=O)ccc21 ZINC001176233041 978005827 /nfs/dbraw/zinc/00/58/27/978005827.db2.gz HCTQGFHKCHXWKA-UHFFFAOYSA-N -1 3 241.250 2.055 20 0 BEADHM Cc1cnccc1Nc1csc(C(=O)[O-])c1 ZINC001176437119 978063138 /nfs/dbraw/zinc/06/31/38/978063138.db2.gz PXUGBADNKSVWPW-UHFFFAOYSA-N -1 3 234.280 2.315 20 0 BEADHM CS[C@@H]1CC[C@H](Nc2nc(C)cc(=O)[n-]2)C1 ZINC001337048213 978144577 /nfs/dbraw/zinc/14/45/77/978144577.db2.gz CABDAFLWRMLILC-DTWKUNHWSA-N -1 3 239.344 2.187 20 0 BEADHM CSC(C)(C)CNc1nc(C)cc(=O)[n-]1 ZINC001337058621 978146977 /nfs/dbraw/zinc/14/69/77/978146977.db2.gz XNEPCXGVKPJCEQ-UHFFFAOYSA-N -1 3 227.333 2.044 20 0 BEADHM COc1nonc1[N-]c1ccc(Cl)cc1 ZINC001176725352 978162636 /nfs/dbraw/zinc/16/26/36/978162636.db2.gz IOMVSLGRDNPSLZ-UHFFFAOYSA-N -1 3 225.635 2.475 20 0 BEADHM CC(C)Oc1ncccc1Nc1cnc[n-]c1=O ZINC001176731030 978168901 /nfs/dbraw/zinc/16/89/01/978168901.db2.gz DVEUMBNZIJSNSQ-UHFFFAOYSA-N -1 3 246.270 2.108 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@H](C)CC(F)F)n1 ZINC001337203026 978214513 /nfs/dbraw/zinc/21/45/13/978214513.db2.gz GZGZNPLSGAHTLI-ZCFIWIBFSA-N -1 3 231.246 2.194 20 0 BEADHM CCCO[N-]C(=O)C1(Cc2ccc(O)cc2)CC1 ZINC001337333740 978290383 /nfs/dbraw/zinc/29/03/83/978290383.db2.gz IURVMWKQZYEQON-UHFFFAOYSA-N -1 3 249.310 2.173 20 0 BEADHM CCCC[C@@H](O)CCC(=O)[N-]OC1CCCC1 ZINC001597626370 978346736 /nfs/dbraw/zinc/34/67/36/978346736.db2.gz HEQUQZQFRYCHPJ-LLVKDONJSA-N -1 3 243.347 2.308 20 0 BEADHM CCC=C(C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001337531163 978394754 /nfs/dbraw/zinc/39/47/54/978394754.db2.gz ULCORRSXUBCWFU-VMPITWQZSA-N -1 3 246.270 2.360 20 0 BEADHM [O-]c1cccc(CN2Cc3cccnc3C2)c1F ZINC001233050269 978439466 /nfs/dbraw/zinc/43/94/66/978439466.db2.gz OCMGGTKNYDAMMM-UHFFFAOYSA-N -1 3 244.269 2.442 20 0 BEADHM C[C@@H]1C[C@@H](F)CN1Cc1cccc([O-])c1F ZINC001233050209 978441451 /nfs/dbraw/zinc/44/14/51/978441451.db2.gz MOQXPXRJAWYMFH-PSASIEDQSA-N -1 3 227.254 2.464 20 0 BEADHM C[C@@H]1CN(Cc2cccc([O-])c2F)[C@@H](C)CO1 ZINC001233054573 978446451 /nfs/dbraw/zinc/44/64/51/978446451.db2.gz SAWJXWZYXHAZAO-VHSXEESVSA-N -1 3 239.290 2.141 20 0 BEADHM CN(Cc1cccc([O-])c1F)[C@H]1CCCOC1 ZINC001233055175 978447574 /nfs/dbraw/zinc/44/75/74/978447574.db2.gz MWBOUEIVHJXKIA-NSHDSACASA-N -1 3 239.290 2.142 20 0 BEADHM COC[C@H]1CCN1Cc1ccc([S-])cc1 ZINC001233263177 978520361 /nfs/dbraw/zinc/52/03/61/978520361.db2.gz JRNHZDWJUYKHKQ-LLVKDONJSA-N -1 3 223.341 2.196 20 0 BEADHM [S-]c1ccc(CN2CC[C@@]23CCOC3)cc1 ZINC001233262546 978522348 /nfs/dbraw/zinc/52/23/48/978522348.db2.gz LBFUGDHGBNWLTO-ZDUSSCGKSA-N -1 3 235.352 2.340 20 0 BEADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H]1C[C@@H]1C ZINC001178561727 978593541 /nfs/dbraw/zinc/59/35/41/978593541.db2.gz ZRMIUDFYDDGMHS-XVKPBYJWSA-N -1 3 233.267 2.189 20 0 BEADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(F)c([O-])c2)O1 ZINC001178838878 978634631 /nfs/dbraw/zinc/63/46/31/978634631.db2.gz KIYSFUNCINSWLU-RDDDGLTNSA-N -1 3 239.246 2.037 20 0 BEADHM Cc1cc([O-])c(Cl)cc1OC1COC1 ZINC001233590969 978634680 /nfs/dbraw/zinc/63/46/80/978634680.db2.gz BWVCKQNSWJYTRK-UHFFFAOYSA-N -1 3 214.648 2.132 20 0 BEADHM C[C@H]1COCC[C@@H]1Oc1ccc2occ([O-])c2c1 ZINC001233679219 978671090 /nfs/dbraw/zinc/67/10/90/978671090.db2.gz AGVODQIECDHOCR-ZANVPECISA-N -1 3 248.278 2.066 20 0 BEADHM C[C@H](Oc1ccc2occ([O-])c2c1)C1CC1 ZINC001233677599 978671262 /nfs/dbraw/zinc/67/12/62/978671262.db2.gz SCZSQZURSGHZJZ-QMMMGPOBSA-N -1 3 218.252 2.439 20 0 BEADHM Cc1ccc(F)c(CNC2(CC(=O)[O-])CC2)c1 ZINC001600429106 978692346 /nfs/dbraw/zinc/69/23/46/978692346.db2.gz RVLFTSSJZSIAQA-UHFFFAOYSA-N -1 3 237.274 2.231 20 0 BEADHM Cc1cc(C(=O)[N-]c2conc2C)ns1 ZINC001277812489 978712689 /nfs/dbraw/zinc/71/26/89/978712689.db2.gz XKEAMSIONKKEDA-UHFFFAOYSA-N -1 3 223.257 2.000 20 0 BEADHM O=C([O-])[C@H](CF)NCc1ccc2ccccc2c1 ZINC001601648903 978823869 /nfs/dbraw/zinc/82/38/69/978823869.db2.gz GTDCKHUIKGWXIF-ZDUSSCGKSA-N -1 3 247.269 2.352 20 0 BEADHM CC[C@H](COc1nc2c(cccc2[O-])[nH]1)OC ZINC001234445854 978837281 /nfs/dbraw/zinc/83/72/81/978837281.db2.gz CSCFPDIAJOIJCV-MRVPVSSYSA-N -1 3 236.271 2.072 20 0 BEADHM [O-]c1cccc2[nH]c(OC3CCC3)nc21 ZINC001234449023 978839787 /nfs/dbraw/zinc/83/97/87/978839787.db2.gz DZYORLLGQXNFJQ-UHFFFAOYSA-N -1 3 204.229 2.200 20 0 BEADHM O=C([O-])CC1(NCc2cscc2Cl)CC1 ZINC001601936986 978868450 /nfs/dbraw/zinc/86/84/50/978868450.db2.gz DNEAORFWDPIZBR-UHFFFAOYSA-N -1 3 245.731 2.498 20 0 BEADHM Cc1cc(=O)[n-]c(NCC2CCSCC2)n1 ZINC001339577322 978874709 /nfs/dbraw/zinc/87/47/09/978874709.db2.gz DJQVITTVPWBUEJ-UHFFFAOYSA-N -1 3 239.344 2.046 20 0 BEADHM Cc1noc([N-]Cc2nc3cc(C)ccc3[nH]2)n1 ZINC001339611470 978879847 /nfs/dbraw/zinc/87/98/47/978879847.db2.gz UCIKVVZCRNFCPT-UHFFFAOYSA-N -1 3 243.270 2.175 20 0 BEADHM Cc1noc([N-]Cc2nc3ccc(C)cc3[nH]2)n1 ZINC001339611470 978879850 /nfs/dbraw/zinc/87/98/50/978879850.db2.gz UCIKVVZCRNFCPT-UHFFFAOYSA-N -1 3 243.270 2.175 20 0 BEADHM O=C([O-])CCN1CC[C@@](F)(c2ccccc2)C1 ZINC001602009608 978882145 /nfs/dbraw/zinc/88/21/45/978882145.db2.gz KFLVJEKROPUFJD-ZDUSSCGKSA-N -1 3 237.274 2.032 20 0 BEADHM CC[C@H](COc1nc2ccsc2[n-]1)OC ZINC001234849191 978916029 /nfs/dbraw/zinc/91/60/29/978916029.db2.gz ZNWGVBHEUITEBJ-SSDOTTSWSA-N -1 3 226.301 2.428 20 0 BEADHM CC[C@H](COc1nc2sccc2[n-]1)OC ZINC001234849191 978916036 /nfs/dbraw/zinc/91/60/36/978916036.db2.gz ZNWGVBHEUITEBJ-SSDOTTSWSA-N -1 3 226.301 2.428 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@H]2CCS[C@H](C)C2)n1 ZINC001339827576 978920421 /nfs/dbraw/zinc/92/04/21/978920421.db2.gz BEKDZYDYILYTPW-BDAKNGLRSA-N -1 3 239.344 2.187 20 0 BEADHM CC(C)COCC(=O)Nc1ccc(F)c([O-])c1 ZINC001180754225 978940518 /nfs/dbraw/zinc/94/05/18/978940518.db2.gz SGYFHDFITQFIGE-UHFFFAOYSA-N -1 3 241.262 2.142 20 0 BEADHM Nc1nccc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235898374 979173363 /nfs/dbraw/zinc/17/33/63/979173363.db2.gz GQWGZNFYIMMYAO-UHFFFAOYSA-N -1 3 221.647 2.085 20 0 BEADHM Nc1ccc(C(=O)NCCC2CC=CC2)c([O-])c1 ZINC001341059788 979214025 /nfs/dbraw/zinc/21/40/25/979214025.db2.gz ZRNYBOAJSNPHGD-UHFFFAOYSA-N -1 3 246.310 2.061 20 0 BEADHM CC[C@H](C)CCNc1cnccc1-c1nnn[n-]1 ZINC001604005771 979557374 /nfs/dbraw/zinc/55/73/74/979557374.db2.gz TWDDPMBTNGPAPE-VIFPVBQESA-N -1 3 246.318 2.110 20 0 BEADHM CC[C@H](C)CCNc1cnccc1-c1nn[n-]n1 ZINC001604005771 979557382 /nfs/dbraw/zinc/55/73/82/979557382.db2.gz TWDDPMBTNGPAPE-VIFPVBQESA-N -1 3 246.318 2.110 20 0 BEADHM Cc1ccc(F)c(-c2cccn(C)c2=O)c1[O-] ZINC001236406485 979582432 /nfs/dbraw/zinc/58/24/32/979582432.db2.gz VCNIPVFWZSSHAI-UHFFFAOYSA-N -1 3 233.242 2.205 20 0 BEADHM C[C@@H](N[C@H]1C=CCC1)c1cc(C(=O)[O-])co1 ZINC001604324384 979616274 /nfs/dbraw/zinc/61/62/74/979616274.db2.gz INWVFXWDBMPKIE-SCZZXKLOSA-N -1 3 221.256 2.347 20 0 BEADHM CC1(C)CN(CCCC(=O)[O-])[C@@H]1c1ccncc1 ZINC001604545277 979675584 /nfs/dbraw/zinc/67/55/84/979675584.db2.gz XJGJERUSNWTSTB-CYBMUJFWSA-N -1 3 248.326 2.329 20 0 BEADHM C[C@@H]1C[C@H](C)N1Cc1ccc(C(=O)[O-])s1 ZINC001604666014 979695256 /nfs/dbraw/zinc/69/52/56/979695256.db2.gz WUPNWFKHTPALOS-OCAPTIKFSA-N -1 3 225.313 2.429 20 0 BEADHM CCC(=O)CCN(C)Cc1ccc(C(=O)[O-])cc1 ZINC001604853058 979738316 /nfs/dbraw/zinc/73/83/16/979738316.db2.gz LWKCMNKXLSVWDA-UHFFFAOYSA-N -1 3 249.310 2.186 20 0 BEADHM CC[C@@H]1CCN1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001605171138 979828601 /nfs/dbraw/zinc/82/86/01/979828601.db2.gz JPOPVRWXGHJCFC-BRAIEQGRSA-N -1 3 235.283 2.362 20 0 BEADHM [O-]c1cc(F)cc(CN2CC3(CSC3)C2)c1 ZINC001237285766 979862469 /nfs/dbraw/zinc/86/24/69/979862469.db2.gz AGAJMPJDEFZXST-UHFFFAOYSA-N -1 3 239.315 2.080 20 0 BEADHM [O-]c1cc(F)cc(CN2CCCCO2)c1 ZINC001237284646 979864115 /nfs/dbraw/zinc/86/41/15/979864115.db2.gz LUJRGVRCJBZLJI-UHFFFAOYSA-N -1 3 211.236 2.059 20 0 BEADHM CCc1[nH]c(CNCC(C)(C)F)cc1C(=O)[O-] ZINC001605775114 979916302 /nfs/dbraw/zinc/91/63/02/979916302.db2.gz SIHXZVVEBIGLBY-UHFFFAOYSA-N -1 3 242.294 2.113 20 0 BEADHM CC(C)CO[N-]C(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001343120188 980015786 /nfs/dbraw/zinc/01/57/86/980015786.db2.gz DSTXLDWOHOVPIH-RYUDHWBXSA-N -1 3 241.331 2.038 20 0 BEADHM O=C([O-])c1cc(F)ccc1CN1CC2CC(C2)C1 ZINC001238241878 980233862 /nfs/dbraw/zinc/23/38/62/980233862.db2.gz LYSJUOBYJNICMN-UHFFFAOYSA-N -1 3 249.285 2.366 20 0 BEADHM FCCCCc1ccc(-c2nnn[n-]2)cc1 ZINC001250259438 980438706 /nfs/dbraw/zinc/43/87/06/980438706.db2.gz GXZMSZBAPSACBN-UHFFFAOYSA-N -1 3 220.251 2.159 20 0 BEADHM FCCCCc1ccc(-c2nn[n-]n2)cc1 ZINC001250259438 980438712 /nfs/dbraw/zinc/43/87/12/980438712.db2.gz GXZMSZBAPSACBN-UHFFFAOYSA-N -1 3 220.251 2.159 20 0 BEADHM CCCC1([N-]S(=O)(=O)c2ccco2)CCC1 ZINC001186884148 980449640 /nfs/dbraw/zinc/44/96/40/980449640.db2.gz XWYNDHLEDACUOY-UHFFFAOYSA-N -1 3 243.328 2.281 20 0 BEADHM Cc1cc(C(=O)Nc2ccc(F)c([O-])c2)cn1C ZINC001188073053 980588415 /nfs/dbraw/zinc/58/84/15/980588415.db2.gz VUBOXRWOMIFCIP-UHFFFAOYSA-N -1 3 248.257 2.431 20 0 BEADHM C[C@@H]1CC=CC[C@H]1NC(=O)c1ccc(N)cc1[O-] ZINC001345592624 980639942 /nfs/dbraw/zinc/63/99/42/980639942.db2.gz PIXJVMCRXJIWHE-BXKDBHETSA-N -1 3 246.310 2.059 20 0 BEADHM COCCCc1cc(F)cc(F)c1[O-] ZINC001250303590 980717223 /nfs/dbraw/zinc/71/72/23/980717223.db2.gz QZGPYSJQXXQKFE-UHFFFAOYSA-N -1 3 202.200 2.249 20 0 BEADHM Cc1cc([N-]C(=O)Nc2nccs2)on1 ZINC001189335055 980774775 /nfs/dbraw/zinc/77/47/75/980774775.db2.gz QDKIYMYUGPDOLZ-UHFFFAOYSA-N -1 3 224.245 2.084 20 0 BEADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccoc1 ZINC001239690335 980848074 /nfs/dbraw/zinc/84/80/74/980848074.db2.gz CMLMQACEBHFCFT-UHFFFAOYSA-N -1 3 230.202 2.266 20 0 BEADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccoc1 ZINC001239690335 980848079 /nfs/dbraw/zinc/84/80/79/980848079.db2.gz CMLMQACEBHFCFT-UHFFFAOYSA-N -1 3 230.202 2.266 20 0 BEADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccoc1 ZINC001239691243 980849381 /nfs/dbraw/zinc/84/93/81/980849381.db2.gz BWZJICOGHOHOGN-UHFFFAOYSA-N -1 3 226.239 2.435 20 0 BEADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccoc1 ZINC001239691243 980849384 /nfs/dbraw/zinc/84/93/84/980849384.db2.gz BWZJICOGHOHOGN-UHFFFAOYSA-N -1 3 226.239 2.435 20 0 BEADHM c1cc(-c2cccc(-c3nnn[n-]3)c2)co1 ZINC001239691039 980849740 /nfs/dbraw/zinc/84/97/40/980849740.db2.gz XEAGEAUICGZBJD-UHFFFAOYSA-N -1 3 212.212 2.127 20 0 BEADHM c1cc(-c2cccc(-c3nn[n-]n3)c2)co1 ZINC001239691039 980849743 /nfs/dbraw/zinc/84/97/43/980849743.db2.gz XEAGEAUICGZBJD-UHFFFAOYSA-N -1 3 212.212 2.127 20 0 BEADHM O=C(Nc1nc2c(cccc2[O-])s1)NC1CC1 ZINC001191442131 981034311 /nfs/dbraw/zinc/03/43/11/981034311.db2.gz FHTWUVVBLPTYJP-UHFFFAOYSA-N -1 3 249.295 2.286 20 0 BEADHM CCCCCCNC(=O)Nc1cncc([O-])c1 ZINC001191948593 981100871 /nfs/dbraw/zinc/10/08/71/981100871.db2.gz CDPYBVNMWVTSAX-UHFFFAOYSA-N -1 3 237.303 2.489 20 0 BEADHM S=c1ccc(-c2ccc3n[nH]cc3c2)n[n-]1 ZINC001240211400 981157759 /nfs/dbraw/zinc/15/77/59/981157759.db2.gz XFBVASLDWCGORX-UHFFFAOYSA-N -1 3 228.280 2.309 20 0 BEADHM S=c1ccc(-c2cccc3n[nH]cc32)n[n-]1 ZINC001240312603 981286339 /nfs/dbraw/zinc/28/63/39/981286339.db2.gz BDJVVZYEYXGMMS-UHFFFAOYSA-N -1 3 228.280 2.309 20 0 BEADHM CC/C=C\CN[C@H](C)c1cncc(C(=O)[O-])c1 ZINC001595520456 981336204 /nfs/dbraw/zinc/33/62/04/981336204.db2.gz GHDKHIZYMMNNNW-UMCURTJPSA-N -1 3 234.299 2.397 20 0 BEADHM CC/C=C/CNCc1ccccc1OCC(=O)[O-] ZINC001595520984 981338238 /nfs/dbraw/zinc/33/82/38/981338238.db2.gz MGMUSRIXODUDOB-ZZXKWVIFSA-N -1 3 249.310 2.206 20 0 BEADHM O=c1[nH]cccc1-c1nc2c(cccc2F)[n-]1 ZINC001250522555 981374647 /nfs/dbraw/zinc/37/46/47/981374647.db2.gz SRIQVAYSGVTWQR-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM CC(C)=Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001240638213 981533273 /nfs/dbraw/zinc/53/32/73/981533273.db2.gz CIJRSKHIIXBTKT-UHFFFAOYSA-N -1 3 218.235 2.429 20 0 BEADHM CC(C)=Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001240638213 981533283 /nfs/dbraw/zinc/53/32/83/981533283.db2.gz CIJRSKHIIXBTKT-UHFFFAOYSA-N -1 3 218.235 2.429 20 0 BEADHM CCCOC(=O)[N-]C1=NCC(=O)C=C1C ZINC001194085431 981556503 /nfs/dbraw/zinc/55/65/03/981556503.db2.gz WVGYAAKETGPSCL-UHFFFAOYSA-N -1 3 210.233 2.054 20 0 BEADHM O=c1cc2[nH]c(-c3cc(F)ccc3[O-])ccc-2[nH]1 ZINC001240693342 981602663 /nfs/dbraw/zinc/60/26/63/981602663.db2.gz NYOWPWBMHZZRSQ-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM Cc1cnc(-c2ccc([O-])c(F)c2)c(N)c1 ZINC001240782763 981820135 /nfs/dbraw/zinc/82/01/35/981820135.db2.gz IHZSKZCKMDYZJN-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM COc1ncnc(-c2ccc([O-])c(F)c2)c1C ZINC001240783659 981821549 /nfs/dbraw/zinc/82/15/49/981821549.db2.gz VDCVBYRJGAXGRO-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM O=C1NCc2ccc(-c3ccc([O-])c(F)c3)cc21 ZINC001240785924 981827640 /nfs/dbraw/zinc/82/76/40/981827640.db2.gz UTEAFDBMRLIAJH-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM O=C1Cc2c(cncc2-c2ccc([O-])c(F)c2)N1 ZINC001240787677 981830696 /nfs/dbraw/zinc/83/06/96/981830696.db2.gz OAKUJAGTKOVXQZ-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM CCOc1ncc(-c2ccc([O-])c(F)c2)cn1 ZINC001240787150 981831128 /nfs/dbraw/zinc/83/11/28/981831128.db2.gz OJWNMCOQSCHKIR-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM [O-]c1ccc(-c2cccc3nncn32)cc1F ZINC001240786956 981833139 /nfs/dbraw/zinc/83/31/39/981833139.db2.gz DJJABQPGJJBBNI-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM CC[C@@H](C)COC(=O)NCc1ncccc1[O-] ZINC001194826227 981918988 /nfs/dbraw/zinc/91/89/88/981918988.db2.gz KBKJTWLNGZYAPC-SECBINFHSA-N -1 3 238.287 2.060 20 0 BEADHM Oc1cccc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001240923953 981989465 /nfs/dbraw/zinc/98/94/65/981989465.db2.gz CXLSEBYZWNSPQT-UHFFFAOYSA-N -1 3 238.250 2.239 20 0 BEADHM Oc1cccc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001240923953 981989474 /nfs/dbraw/zinc/98/94/74/981989474.db2.gz CXLSEBYZWNSPQT-UHFFFAOYSA-N -1 3 238.250 2.239 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])OCCF ZINC001194963895 982000875 /nfs/dbraw/zinc/00/08/75/982000875.db2.gz NZZZQRAFQNYAEW-UHFFFAOYSA-N -1 3 217.171 2.049 20 0 BEADHM NC(=O)c1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001250612871 982008829 /nfs/dbraw/zinc/00/88/29/982008829.db2.gz WKVYKJIZWCFKIF-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM NC(=O)c1ccc(-c2cccc(F)c2[O-])cc1 ZINC001250612799 982009731 /nfs/dbraw/zinc/00/97/31/982009731.db2.gz SUQAYGDFQAMTNT-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM CCOC(=O)c1cncnc1-c1ccccc1[O-] ZINC001241001783 982087358 /nfs/dbraw/zinc/08/73/58/982087358.db2.gz GYPXNDJTCPMDHV-UHFFFAOYSA-N -1 3 244.250 2.026 20 0 BEADHM CC(=O)Nc1cccc(-c2ccccc2[O-])n1 ZINC001241003420 982092463 /nfs/dbraw/zinc/09/24/63/982092463.db2.gz LVXPBFZDQUREGO-UHFFFAOYSA-N -1 3 228.251 2.413 20 0 BEADHM COC(=O)c1cnc(-c2ccccc2[O-])cc1F ZINC001241007837 982094206 /nfs/dbraw/zinc/09/42/06/982094206.db2.gz AMJVCNZSERMZRM-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM Cc1ccc(-c2cc(C)cnn2)c([O-])c1 ZINC001241028069 982123688 /nfs/dbraw/zinc/12/36/88/982123688.db2.gz IETDSSHNVAHZQM-UHFFFAOYSA-N -1 3 200.241 2.466 20 0 BEADHM Cc1ccc(-c2ncnc3ncn(C)c32)c([O-])c1 ZINC001241028598 982124104 /nfs/dbraw/zinc/12/41/04/982124104.db2.gz POHLLYSIJMYVNF-UHFFFAOYSA-N -1 3 240.266 2.044 20 0 BEADHM CC(=O)Nc1ccc(-c2ccc(C)cc2[O-])nn1 ZINC001241030127 982126997 /nfs/dbraw/zinc/12/69/97/982126997.db2.gz FOFKHZHKCPDSTH-UHFFFAOYSA-N -1 3 243.266 2.116 20 0 BEADHM Cc1ccc(-c2nccc3c2NC(=O)C3)c([O-])c1 ZINC001241031113 982128611 /nfs/dbraw/zinc/12/86/11/982128611.db2.gz YUPOBMHMDUSFDM-UHFFFAOYSA-N -1 3 240.262 2.257 20 0 BEADHM Cc1ccc(-c2ncc(F)cc2C(N)=O)c([O-])c1 ZINC001241036310 982137472 /nfs/dbraw/zinc/13/74/72/982137472.db2.gz TYOQHMLXJARDNA-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM COc1cnc(C)nc1-c1ccc(C)cc1[O-] ZINC001241035876 982139260 /nfs/dbraw/zinc/13/92/60/982139260.db2.gz HTOAABBCZMSGCX-UHFFFAOYSA-N -1 3 230.267 2.475 20 0 BEADHM Nc1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001241067295 982187042 /nfs/dbraw/zinc/18/70/42/982187042.db2.gz WSBDHSFINJOELL-UHFFFAOYSA-N -1 3 237.266 2.116 20 0 BEADHM Nc1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001241067295 982187049 /nfs/dbraw/zinc/18/70/49/982187049.db2.gz WSBDHSFINJOELL-UHFFFAOYSA-N -1 3 237.266 2.116 20 0 BEADHM Cc1ncnc(-c2cc([O-])cc(F)c2)c1F ZINC001241255974 982391042 /nfs/dbraw/zinc/39/10/42/982391042.db2.gz ILFKOUABIDNGOQ-UHFFFAOYSA-N -1 3 222.194 2.436 20 0 BEADHM Cc1nccc(-c2cc([O-])cc(F)c2)n1 ZINC001241257682 982394379 /nfs/dbraw/zinc/39/43/79/982394379.db2.gz OLMYCBPVXQGSJR-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM O=C1Cc2ccnc(-c3cc([O-])cc(F)c3)c2N1 ZINC001241256504 982396383 /nfs/dbraw/zinc/39/63/83/982396383.db2.gz XACNBVULXVYWGA-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM Cc1cc(C(N)=O)cc(-c2cc([O-])cc(F)c2)n1 ZINC001241261292 982397207 /nfs/dbraw/zinc/39/72/07/982397207.db2.gz JAYGLDVHLUDQII-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM CCN(C)c1cc(-c2cc([O-])cc(F)c2)ncn1 ZINC001241262680 982400479 /nfs/dbraw/zinc/40/04/79/982400479.db2.gz POGAZKLGOZGDBB-UHFFFAOYSA-N -1 3 247.273 2.444 20 0 BEADHM COc1cnc(C)nc1-c1cc([O-])cc(F)c1 ZINC001241262720 982401207 /nfs/dbraw/zinc/40/12/07/982401207.db2.gz RLPAXEIBDZDJNN-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM Cn1ccc(-c2c(F)ccc([O-])c2F)cc1=O ZINC001241291106 982424512 /nfs/dbraw/zinc/42/45/12/982424512.db2.gz JPCVAQHFXFZYMH-UHFFFAOYSA-N -1 3 237.205 2.036 20 0 BEADHM Nc1nccc(F)c1-c1c(F)ccc([O-])c1F ZINC001241290608 982428909 /nfs/dbraw/zinc/42/89/09/982428909.db2.gz BFVIDIQOLHOWKJ-UHFFFAOYSA-N -1 3 240.184 2.454 20 0 BEADHM C[C@H](CC(=O)[O-])[NH2+][C@H](C)c1cccc([O-])c1F ZINC001589004565 982567951 /nfs/dbraw/zinc/56/79/51/982567951.db2.gz KRRLSDQCUHARMM-HTQZYQBOSA-N -1 3 241.262 2.045 20 0 BEADHM CC1(C)CN(CCCC(=O)[O-])[C@H]1c1cccnc1 ZINC001589231430 982670445 /nfs/dbraw/zinc/67/04/45/982670445.db2.gz MCYJIPDTRWJDDU-ZDUSSCGKSA-N -1 3 248.326 2.329 20 0 BEADHM CC(C)=CCSc1ncccc1-c1nnn[n-]1 ZINC001589379819 982746136 /nfs/dbraw/zinc/74/61/36/982746136.db2.gz BVHPMUJNUDEOSE-UHFFFAOYSA-N -1 3 247.327 2.320 20 0 BEADHM CC(C)=CCSc1ncccc1-c1nn[n-]n1 ZINC001589379819 982746151 /nfs/dbraw/zinc/74/61/51/982746151.db2.gz BVHPMUJNUDEOSE-UHFFFAOYSA-N -1 3 247.327 2.320 20 0 BEADHM CC(C)(C)C=Cc1cncc(-c2nnn[n-]2)c1 ZINC001241564693 982804154 /nfs/dbraw/zinc/80/41/54/982804154.db2.gz QLXXLYRQQNILDF-SNAWJCMRSA-N -1 3 229.287 2.321 20 0 BEADHM CC(C)(C)C=Cc1cncc(-c2nn[n-]n2)c1 ZINC001241564693 982804156 /nfs/dbraw/zinc/80/41/56/982804156.db2.gz QLXXLYRQQNILDF-SNAWJCMRSA-N -1 3 229.287 2.321 20 0 BEADHM CC(C)CCNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589604576 982845176 /nfs/dbraw/zinc/84/51/76/982845176.db2.gz UWLDSQWCRRIEHT-UHFFFAOYSA-N -1 3 249.293 2.464 20 0 BEADHM CC(C)CCNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589604576 982845181 /nfs/dbraw/zinc/84/51/81/982845181.db2.gz UWLDSQWCRRIEHT-UHFFFAOYSA-N -1 3 249.293 2.464 20 0 BEADHM CC1(C)C[C@@H]1Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001590113556 982895666 /nfs/dbraw/zinc/89/56/66/982895666.db2.gz RMNFISSNLPFANJ-JTQLQIEISA-N -1 3 247.277 2.216 20 0 BEADHM CC1(C)C[C@@H]1Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001590113556 982895667 /nfs/dbraw/zinc/89/56/67/982895667.db2.gz RMNFISSNLPFANJ-JTQLQIEISA-N -1 3 247.277 2.216 20 0 BEADHM CC1(COc2ccccc2-c2nnn[n-]2)CCC1 ZINC001590139164 982897143 /nfs/dbraw/zinc/89/71/43/982897143.db2.gz IDHKFDWVANIVNG-UHFFFAOYSA-N -1 3 244.298 2.436 20 0 BEADHM CC1(COc2ccccc2-c2nn[n-]n2)CCC1 ZINC001590139164 982897146 /nfs/dbraw/zinc/89/71/46/982897146.db2.gz IDHKFDWVANIVNG-UHFFFAOYSA-N -1 3 244.298 2.436 20 0 BEADHM C[C@H]1CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1F ZINC001590238162 982902760 /nfs/dbraw/zinc/90/27/60/982902760.db2.gz BUYNGPJWUIIFKE-XVKPBYJWSA-N -1 3 247.277 2.216 20 0 BEADHM C[C@@H]1C[C@@H]1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC001590217067 982913668 /nfs/dbraw/zinc/91/36/68/982913668.db2.gz ATKMIZQAOVTKOD-HTQZYQBOSA-N -1 3 247.277 2.074 20 0 BEADHM C[C@@H]1C[C@@H]1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC001590217067 982913683 /nfs/dbraw/zinc/91/36/83/982913683.db2.gz ATKMIZQAOVTKOD-HTQZYQBOSA-N -1 3 247.277 2.074 20 0 BEADHM CC[C@@H]1CC[C@H]1Nc1cccc(-c2nnn[n-]2)c1 ZINC001590507711 982954847 /nfs/dbraw/zinc/95/48/47/982954847.db2.gz GLAVRTMTJCGTIT-BXKDBHETSA-N -1 3 243.314 2.467 20 0 BEADHM CC[C@@H]1CC[C@H]1Nc1cccc(-c2nn[n-]n2)c1 ZINC001590507711 982954854 /nfs/dbraw/zinc/95/48/54/982954854.db2.gz GLAVRTMTJCGTIT-BXKDBHETSA-N -1 3 243.314 2.467 20 0 BEADHM O=C(Nc1ccc(F)c([O-])c1)C1=CC=CC1 ZINC001199694126 982998217 /nfs/dbraw/zinc/99/82/17/982998217.db2.gz KJQRHTGVFYHOPQ-UHFFFAOYSA-N -1 3 219.215 2.356 20 0 BEADHM CN(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000082319738 983015156 /nfs/dbraw/zinc/01/51/56/983015156.db2.gz RXWTYGSDVZYSKU-UHFFFAOYSA-N -1 3 221.281 2.309 20 0 BEADHM Cc1cccc(CO[N-]C(=O)CC2CCC2)n1 ZINC001353865616 983034859 /nfs/dbraw/zinc/03/48/59/983034859.db2.gz MNSCDEGBRDIHIM-UHFFFAOYSA-N -1 3 234.299 2.128 20 0 BEADHM NCc1cccc(-c2cc(F)cc(C(=O)[O-])c2)n1 ZINC001241817597 983072988 /nfs/dbraw/zinc/07/29/88/983072988.db2.gz VSVQXQKNMWLXKM-UHFFFAOYSA-N -1 3 246.241 2.045 20 0 BEADHM Cc1oc(CN[C@H]2C=CCCC2)cc1C(=O)[O-] ZINC001353921548 983076421 /nfs/dbraw/zinc/07/64/21/983076421.db2.gz HVPUFHOOZZEENE-JTQLQIEISA-N -1 3 235.283 2.485 20 0 BEADHM Cc1cc(F)c(-c2nnn[n-]2)cc1NCC1CC1 ZINC001591986904 983106157 /nfs/dbraw/zinc/10/61/57/983106157.db2.gz VUUUVYWIGYIWAM-UHFFFAOYSA-N -1 3 247.277 2.136 20 0 BEADHM Cc1cc(F)c(-c2nn[n-]n2)cc1NCC1CC1 ZINC001591986904 983106164 /nfs/dbraw/zinc/10/61/64/983106164.db2.gz VUUUVYWIGYIWAM-UHFFFAOYSA-N -1 3 247.277 2.136 20 0 BEADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cscn1 ZINC001241892846 983111732 /nfs/dbraw/zinc/11/17/32/983111732.db2.gz UAMNSJCMKUPFBD-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cscn1 ZINC001241892846 983111736 /nfs/dbraw/zinc/11/17/36/983111736.db2.gz UAMNSJCMKUPFBD-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)cc1NCCCCF ZINC001592107814 983114117 /nfs/dbraw/zinc/11/41/17/983114117.db2.gz LLJJESPPLNUADM-UHFFFAOYSA-N -1 3 249.293 2.337 20 0 BEADHM Cc1ccc(-c2nn[n-]n2)cc1NCCCCF ZINC001592107814 983114121 /nfs/dbraw/zinc/11/41/21/983114121.db2.gz LLJJESPPLNUADM-UHFFFAOYSA-N -1 3 249.293 2.337 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)cc1NC[C@@H]1C[C@H]1C ZINC001592108394 983116977 /nfs/dbraw/zinc/11/69/77/983116977.db2.gz YGEWKQCHSCASSY-KOLCDFICSA-N -1 3 243.314 2.243 20 0 BEADHM Cc1ccc(-c2nn[n-]n2)cc1NC[C@@H]1C[C@H]1C ZINC001592108394 983116983 /nfs/dbraw/zinc/11/69/83/983116983.db2.gz YGEWKQCHSCASSY-KOLCDFICSA-N -1 3 243.314 2.243 20 0 BEADHM C[C@@H](C1CC1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001592181076 983118673 /nfs/dbraw/zinc/11/86/73/983118673.db2.gz OYJPJEXLSRLMHH-VIFPVBQESA-N -1 3 231.295 2.499 20 0 BEADHM Cc1cnc(CNc2nc(C)cc(=O)[n-]2)c(C)c1 ZINC001354269762 983243817 /nfs/dbraw/zinc/24/38/17/983243817.db2.gz WURYOURFAKECFX-UHFFFAOYSA-N -1 3 244.298 2.115 20 0 BEADHM CC(=O)c1cccnc1Nc1cncc([O-])c1 ZINC001201628887 983386388 /nfs/dbraw/zinc/38/63/88/983386388.db2.gz WMEIQWUWGHYDRI-UHFFFAOYSA-N -1 3 229.239 2.128 20 0 BEADHM Cc1cc(-c2ccc(F)cc2[O-])cnc1N ZINC001242218591 983409190 /nfs/dbraw/zinc/40/91/90/983409190.db2.gz GKSXQIZIVGPQLE-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM [O-]c1cc(F)ccc1-c1cnc2c(c1)OCCO2 ZINC001242217380 983416783 /nfs/dbraw/zinc/41/67/83/983416783.db2.gz AVAOJCFSNHRKJM-UHFFFAOYSA-N -1 3 247.225 2.365 20 0 BEADHM [O-]c1cc(F)ccc1-c1ccnc2c1CCN2 ZINC001242221615 983429392 /nfs/dbraw/zinc/42/93/92/983429392.db2.gz NYRIZSWXNSTBFD-UHFFFAOYSA-N -1 3 230.242 2.204 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@@H]1C1CC1 ZINC000717041098 983510730 /nfs/dbraw/zinc/51/07/30/983510730.db2.gz WHNWPBVNHBPLBI-GHMZBOCLSA-N -1 3 231.295 2.229 20 0 BEADHM Cc1ncc(NC(=O)Nc2ccccc2)c(=O)[n-]1 ZINC001201946524 983516584 /nfs/dbraw/zinc/51/65/84/983516584.db2.gz HNEASHMJMNOPRK-UHFFFAOYSA-N -1 3 244.254 2.135 20 0 BEADHM OCc1ccc(F)cc1-c1ccc(=S)[n-]n1 ZINC001242338832 983584903 /nfs/dbraw/zinc/58/49/03/983584903.db2.gz JWIVWMOWQRKGPO-UHFFFAOYSA-N -1 3 236.271 2.064 20 0 BEADHM Cc1cccc(-c2ccc(=S)[n-]n2)c1O ZINC001242345565 983602178 /nfs/dbraw/zinc/60/21/78/983602178.db2.gz RXBZBKBCFXNGJV-UHFFFAOYSA-N -1 3 218.281 2.446 20 0 BEADHM Cn1nnc2cc(-c3cccc(F)c3[O-])ccc21 ZINC001242350780 983614466 /nfs/dbraw/zinc/61/44/66/983614466.db2.gz KSCNSEJMTZJJSN-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM CCN(C/C(C)=C/C(=O)[O-])Cc1occc1C ZINC001596230039 983623755 /nfs/dbraw/zinc/62/37/55/983623755.db2.gz QKQDTBRGCVJOOK-JXMROGBWSA-N -1 3 237.299 2.441 20 0 BEADHM [O-]c1c(F)cccc1-c1cnc(N2CCC2)nc1 ZINC001242351401 983625375 /nfs/dbraw/zinc/62/53/75/983625375.db2.gz JJVRQEFUWILBQG-UHFFFAOYSA-N -1 3 245.257 2.198 20 0 BEADHM NC(=O)c1cc(-c2cccc(F)c2[O-])ccc1F ZINC001242352524 983627713 /nfs/dbraw/zinc/62/77/13/983627713.db2.gz XBCUZGCNHSIZQK-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM NC(=O)Cc1ccccc1-c1cccc(F)c1[O-] ZINC001242353124 983629828 /nfs/dbraw/zinc/62/98/28/983629828.db2.gz VGXOMLDZXXJDFC-UHFFFAOYSA-N -1 3 245.253 2.226 20 0 BEADHM O=c1occ2[nH]cc(-c3cccc(F)c3[O-])cc1-2 ZINC001242354297 983633288 /nfs/dbraw/zinc/63/32/88/983633288.db2.gz VHEOSIBMGHSMPT-UHFFFAOYSA-N -1 3 245.209 2.264 20 0 BEADHM Cc1ccc(C(=O)N[C@H]2C[C@@H]2C2CC2)c([O-])c1 ZINC000717106782 983812891 /nfs/dbraw/zinc/81/28/91/983812891.db2.gz GDOTYUJZELABTN-NEPJUHHUSA-N -1 3 231.295 2.229 20 0 BEADHM C[C@H](O)c1cccc(-c2ccc(=S)[n-]n2)c1 ZINC001242551570 983871389 /nfs/dbraw/zinc/87/13/89/983871389.db2.gz XJJCXLQQSCBQJE-QMMMGPOBSA-N -1 3 232.308 2.486 20 0 BEADHM C[C@@H](O)c1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC001242643771 984014459 /nfs/dbraw/zinc/01/44/59/984014459.db2.gz MPPURVFGBAGTKP-MRVPVSSYSA-N -1 3 232.308 2.486 20 0 BEADHM CCNC(=O)Nc1ccc(C)c([O-])c1Cl ZINC001202549640 984014992 /nfs/dbraw/zinc/01/49/92/984014992.db2.gz DGQPBHIYQVRKAG-UHFFFAOYSA-N -1 3 228.679 2.495 20 0 BEADHM Clc1ccccc1-c1noc(-c2cnn[n-]2)n1 ZINC001212799003 984160417 /nfs/dbraw/zinc/16/04/17/984160417.db2.gz DNXUSFIOXLCRCT-UHFFFAOYSA-N -1 3 247.645 2.175 20 0 BEADHM Clc1ccccc1-c1noc(-c2c[n-]nn2)n1 ZINC001212799003 984160428 /nfs/dbraw/zinc/16/04/28/984160428.db2.gz DNXUSFIOXLCRCT-UHFFFAOYSA-N -1 3 247.645 2.175 20 0 BEADHM S=c1ccc(-c2cnn3ccccc23)n[n-]1 ZINC001242963258 984327478 /nfs/dbraw/zinc/32/74/78/984327478.db2.gz FRIDYYPQBZKMKD-UHFFFAOYSA-N -1 3 228.280 2.080 20 0 BEADHM O=C([N-]c1ccon1)c1ccc(C(F)F)o1 ZINC001436974493 984348313 /nfs/dbraw/zinc/34/83/13/984348313.db2.gz VOZRRRIGPUJCSQ-UHFFFAOYSA-N -1 3 228.154 2.458 20 0 BEADHM [O-]c1cc(-c2ccnc(F)n2)ccc1F ZINC001243046258 984388185 /nfs/dbraw/zinc/38/81/85/984388185.db2.gz CQIDCARYWKNITH-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM CN(C)c1cc(-c2ccc(F)c([O-])c2)ncn1 ZINC001243046958 984390476 /nfs/dbraw/zinc/39/04/76/984390476.db2.gz ANWODFGKCBBARQ-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM Cc1cnc(-c2ccc(F)c([O-])c2)cn1 ZINC001243047154 984391394 /nfs/dbraw/zinc/39/13/94/984391394.db2.gz CBORNGNKXQGKPB-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM CC(C)n1nccc(-c2ccc(F)c([O-])c2)c1=O ZINC001243048311 984395346 /nfs/dbraw/zinc/39/53/46/984395346.db2.gz VSQNNCGIYHWPKX-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM Cc1cnnc(-c2ccc(F)c([O-])c2)c1 ZINC001243049407 984400247 /nfs/dbraw/zinc/40/02/47/984400247.db2.gz SSSIAGJOJZHXAA-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Nc1cnccc1-c1ccc(F)c([O-])c1 ZINC001243050745 984401262 /nfs/dbraw/zinc/40/12/62/984401262.db2.gz WHWLZUSTGGQICZ-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM Nc1cncc(-c2ccc(F)c([O-])c2)c1 ZINC001243050851 984406792 /nfs/dbraw/zinc/40/67/92/984406792.db2.gz ZZJANRXTFVHTCT-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM CO[N-]C(=O)CCc1cccc2ccccc21 ZINC001441028253 984461086 /nfs/dbraw/zinc/46/10/86/984461086.db2.gz WGEZUBWYZHNKRV-UHFFFAOYSA-N -1 3 229.279 2.450 20 0 BEADHM Cc1csc([N-]C(=O)c2cc(Cl)no2)n1 ZINC001441752657 984482105 /nfs/dbraw/zinc/48/21/05/984482105.db2.gz RLOYVLGIXGKDCN-UHFFFAOYSA-N -1 3 243.675 2.345 20 0 BEADHM C/C(=C/C(=O)[O-])CN1CCCc2occc2C1 ZINC001588949107 984671506 /nfs/dbraw/zinc/67/15/06/984671506.db2.gz OUNMUVJVLBLEHD-YFHOEESVSA-N -1 3 235.283 2.059 20 0 BEADHM Cc1cc(C(=O)[O-])ccc1-c1cc(N)ccn1 ZINC001243202597 984681960 /nfs/dbraw/zinc/68/19/60/984681960.db2.gz YYKSEZHLDYUMRD-UHFFFAOYSA-N -1 3 228.251 2.337 20 0 BEADHM Cc1cc(C(=O)[O-])ccc1-c1cccc(CN)n1 ZINC001243202407 984683161 /nfs/dbraw/zinc/68/31/61/984683161.db2.gz UBVUCQBLMGATAD-UHFFFAOYSA-N -1 3 242.278 2.214 20 0 BEADHM CC(=O)Oc1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC001243363133 984842395 /nfs/dbraw/zinc/84/23/95/984842395.db2.gz WNGJCTXMHLMYPV-UHFFFAOYSA-N -1 3 246.291 2.358 20 0 BEADHM Cc1ncc(-c2ccccc2-c2nnn[n-]2)s1 ZINC001243379342 984860194 /nfs/dbraw/zinc/86/01/94/984860194.db2.gz MCJUBRJBCNYTKU-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM Cc1ncc(-c2ccccc2-c2nn[n-]n2)s1 ZINC001243379342 984860196 /nfs/dbraw/zinc/86/01/96/984860196.db2.gz MCJUBRJBCNYTKU-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM COC(=O)c1cccnc1-c1cccc([O-])c1F ZINC001243541482 985070693 /nfs/dbraw/zinc/07/06/93/985070693.db2.gz BYESZQMBENUVDV-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM [O-]c1cccc(-c2ccc(F)nn2)c1F ZINC001243540942 985072899 /nfs/dbraw/zinc/07/28/99/985072899.db2.gz AQUWIPVDIMZKBK-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM Cc1ccnnc1-c1cccc([O-])c1F ZINC001243542829 985074437 /nfs/dbraw/zinc/07/44/37/985074437.db2.gz LPPJUISHABFUJX-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Cc1ccnc(-c2cccc([O-])c2F)c1C(N)=O ZINC001243543752 985076265 /nfs/dbraw/zinc/07/62/65/985076265.db2.gz PIJMMVGUBSORMW-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM Cn1cnc2cc(-c3cccc([O-])c3F)cnc21 ZINC001243545230 985080828 /nfs/dbraw/zinc/08/08/28/985080828.db2.gz YSJUGISBCCGPEG-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM COC(=O)c1ncccc1-c1cccc([O-])c1F ZINC001243544202 985081081 /nfs/dbraw/zinc/08/10/81/985081081.db2.gz DHDOOKWISDMLBU-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM [O-]c1cccc(-c2ncnc3c2CCC3)c1F ZINC001243544805 985081998 /nfs/dbraw/zinc/08/19/98/985081998.db2.gz ZKEATZDGDUWXEN-UHFFFAOYSA-N -1 3 230.242 2.477 20 0 BEADHM COC(=O)c1cncc(-c2cccc([O-])c2F)c1 ZINC001243545147 985082598 /nfs/dbraw/zinc/08/25/98/985082598.db2.gz UMCFTHRGLRBJCI-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM [O-]c1cccc(-c2cccc3nncn32)c1F ZINC001243545059 985082951 /nfs/dbraw/zinc/08/29/51/985082951.db2.gz PFQIDQHQUMMWHD-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Nc1cc(-c2cccc([O-])c2F)ncc1F ZINC001243544526 985083617 /nfs/dbraw/zinc/08/36/17/985083617.db2.gz RDNCBNMXFYPSHA-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM NC(=O)c1ccc(-c2cccc([O-])c2F)cc1F ZINC001243546637 985092878 /nfs/dbraw/zinc/09/28/78/985092878.db2.gz BIDYVIVTGNPBQI-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM CCCO[N-]C(=O)CCc1ccc(C)cc1 ZINC000686763676 985210046 /nfs/dbraw/zinc/21/00/46/985210046.db2.gz OCEKILQQECSQQY-UHFFFAOYSA-N -1 3 221.300 2.385 20 0 BEADHM Cn1ccc(-c2c([O-])cccc2Cl)n1 ZINC001244033784 985772393 /nfs/dbraw/zinc/77/23/93/985772393.db2.gz QIRUPVMAOZYHMK-UHFFFAOYSA-N -1 3 208.648 2.446 20 0 BEADHM [O-]c1cccc(Cl)c1-c1cncc2nncn21 ZINC001244047417 985787098 /nfs/dbraw/zinc/78/70/98/985787098.db2.gz FFXGHHUQNKDMCV-UHFFFAOYSA-N -1 3 246.657 2.150 20 0 BEADHM Cc1[nH]c(CN2C3CCC2CC3)cc1C(=O)[O-] ZINC001599961789 985797511 /nfs/dbraw/zinc/79/75/11/985797511.db2.gz IZKQLYHCQMJOAZ-UHFFFAOYSA-N -1 3 234.299 2.148 20 0 BEADHM Cc1[nH]c(CN2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC001599963709 985851366 /nfs/dbraw/zinc/85/13/66/985851366.db2.gz UDDRPVZCFUMYDB-VIFPVBQESA-N -1 3 236.315 2.253 20 0 BEADHM Cc1ccc(-c2ccc(=S)[n-]n2)c(CO)c1 ZINC001244488619 986185369 /nfs/dbraw/zinc/18/53/69/986185369.db2.gz IYHJBRYVOFLCSX-UHFFFAOYSA-N -1 3 232.308 2.233 20 0 BEADHM Cc1cc(-c2ccnc(N(C)C)n2)cc([O-])c1F ZINC001244506430 986205080 /nfs/dbraw/zinc/20/50/80/986205080.db2.gz PNDBZUAXIWDZNN-UHFFFAOYSA-N -1 3 247.273 2.363 20 0 BEADHM COCc1nccnc1-c1cc(C)c(F)c([O-])c1 ZINC001244505744 986206358 /nfs/dbraw/zinc/20/63/58/986206358.db2.gz JDMCNJYLFLZHJX-UHFFFAOYSA-N -1 3 248.257 2.443 20 0 BEADHM COCc1cc(-c2cc(C)c(F)c([O-])c2)ncn1 ZINC001244506359 986210713 /nfs/dbraw/zinc/21/07/13/986210713.db2.gz NVBUWKAQGBLAPZ-UHFFFAOYSA-N -1 3 248.257 2.443 20 0 BEADHM CCn1nccc(-c2cc(C)c(F)c([O-])c2)c1=O ZINC001244524913 986227124 /nfs/dbraw/zinc/22/71/24/986227124.db2.gz ISEUTLOYVJUQAV-UHFFFAOYSA-N -1 3 248.257 2.083 20 0 BEADHM CCCNC(=S)Nc1c([O-])cccc1F ZINC001244874689 986407972 /nfs/dbraw/zinc/40/79/72/986407972.db2.gz KFJDQMGFJAHMNC-UHFFFAOYSA-N -1 3 228.292 2.228 20 0 BEADHM CCCCS(=O)(=O)[N-]c1cnn(C(C)C)c1 ZINC001253782816 986419766 /nfs/dbraw/zinc/41/97/66/986419766.db2.gz VHJFBCCOQHZGSW-UHFFFAOYSA-N -1 3 245.348 2.006 20 0 BEADHM [O-]c1ccc(O)cc1-c1nnc(C2CC2)o1 ZINC001254120221 986518468 /nfs/dbraw/zinc/51/84/68/986518468.db2.gz MRSSCDKMQKVIGV-UHFFFAOYSA-N -1 3 218.212 2.025 20 0 BEADHM [O-]c1ccc(Cl)cc1-c1cnc2ncnn2c1 ZINC001245051030 986612709 /nfs/dbraw/zinc/61/27/09/986612709.db2.gz 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242.307 2.319 20 0 BEADHM Nc1ncc(-c2ccc(=S)[n-]n2)cc1Cl ZINC001245564447 986960975 /nfs/dbraw/zinc/96/09/75/986960975.db2.gz SXQMEAIOCCGFNU-UHFFFAOYSA-N -1 3 238.703 2.063 20 0 BEADHM Nc1cncc(F)c1-c1c([O-])cccc1F ZINC001245652590 987021658 /nfs/dbraw/zinc/02/16/58/987021658.db2.gz FPJQLTFCHJLDRC-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM Cc1c(C(N)=O)cncc1-c1c([O-])cccc1F ZINC001245654361 987028496 /nfs/dbraw/zinc/02/84/96/987028496.db2.gz DGIMHOSKQXCGHZ-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM [O-]c1cccc(F)c1-c1cccn2ncnc12 ZINC001245654503 987032757 /nfs/dbraw/zinc/03/27/57/987032757.db2.gz SRSYNIWXFUXVDM-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM [O-]c1cccc(F)c1-c1cn2ncnc2cc1F ZINC001245657704 987045468 /nfs/dbraw/zinc/04/54/68/987045468.db2.gz REFGIUPSVIHDEK-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM C/C=C/CN[C@H](C)c1ccccc1OCC(=O)[O-] ZINC001594686448 987066545 /nfs/dbraw/zinc/06/65/45/987066545.db2.gz WCAMIDZEMFEXBL-PGLGOXFNSA-N -1 3 249.310 2.377 20 0 BEADHM C[C@H]1C[C@@H]1c1nnc(-c2cc(Cl)n[n-]2)o1 ZINC001256717558 987274452 /nfs/dbraw/zinc/27/44/52/987274452.db2.gz HRNUYSAEFRQZLG-WHFBIAKZSA-N -1 3 224.651 2.237 20 0 BEADHM C1=C[C@@H](CNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602746393 989174836 /nfs/dbraw/zinc/17/48/36/989174836.db2.gz LTKREABLEUOXAQ-SNVBAGLBSA-N -1 3 241.298 2.245 20 0 BEADHM Cc1cc(CN[C@H]2C=CCCC2)oc1C(=O)[O-] ZINC001119602938 989223306 /nfs/dbraw/zinc/22/33/06/989223306.db2.gz AICMWOCKIYZOAR-JTQLQIEISA-N -1 3 235.283 2.485 20 0 BEADHM CCc1oc(CN[C@@H]2[C@@H]3CCC[C@@H]32)cc1C(=O)[O-] ZINC001597802522 989401206 /nfs/dbraw/zinc/40/12/06/989401206.db2.gz QQEWPABICKGPMO-DDFAGTSDSA-N -1 3 249.310 2.428 20 0 BEADHM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]OCC1CC1 ZINC001326544592 989599660 /nfs/dbraw/zinc/59/96/60/989599660.db2.gz MDLKTBHQDJPQSP-BXKDBHETSA-N -1 3 211.305 2.271 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@@H]2CC2(Cl)Cl)n1 ZINC001120793344 989884763 /nfs/dbraw/zinc/88/47/63/989884763.db2.gz NXOBQMOMUQHVIP-LURJTMIESA-N -1 3 248.113 2.096 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@H]2CC2(Cl)Cl)n1 ZINC001120793345 989885811 /nfs/dbraw/zinc/88/58/11/989885811.db2.gz NXOBQMOMUQHVIP-ZCFIWIBFSA-N -1 3 248.113 2.096 20 0 BEADHM Cc1cc(=O)[n-]c(N2CC[C@H](C3CCC3)C2)n1 ZINC001120856486 989924545 /nfs/dbraw/zinc/92/45/45/989924545.db2.gz FSKLJPDXCKUXOS-NSHDSACASA-N -1 3 233.315 2.117 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC001120856954 989928506 /nfs/dbraw/zinc/92/85/06/989928506.db2.gz NBXLOMOHPMHOLX-KXUCPTDWSA-N -1 3 219.288 2.091 20 0 BEADHM Cc1cc(=O)[n-]c(NCCc2ccsc2)n1 ZINC001120881367 989944075 /nfs/dbraw/zinc/94/40/75/989944075.db2.gz BXFLUWGAAZMLGJ-UHFFFAOYSA-N -1 3 235.312 2.207 20 0 BEADHM CC(C)(C)SCCN1CC[C@@](F)(C(=O)[O-])C1 ZINC001590429508 989982212 /nfs/dbraw/zinc/98/22/12/989982212.db2.gz ACELLNLLFSAWNG-NSHDSACASA-N -1 3 249.351 2.017 20 0 BEADHM CC(C)=C(C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001121233501 990053722 /nfs/dbraw/zinc/05/37/22/990053722.db2.gz RTHHATPQXZDVRQ-UHFFFAOYSA-N -1 3 246.270 2.360 20 0 BEADHM O=C([O-])c1ccc(CNC/C=C/Cl)s1 ZINC001606491066 990509430 /nfs/dbraw/zinc/50/94/30/990509430.db2.gz AXVRPGIQJWSOCC-DAFODLJHSA-N -1 3 231.704 2.288 20 0 BEADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@H]1F ZINC001123677959 990646067 /nfs/dbraw/zinc/64/60/67/990646067.db2.gz OSUDPGVBWVZGID-RNFRBKRXSA-N -1 3 229.638 2.342 20 0 BEADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1C[C@H]1F ZINC001123677958 990646642 /nfs/dbraw/zinc/64/66/42/990646642.db2.gz OSUDPGVBWVZGID-NKWVEPMBSA-N -1 3 229.638 2.342 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1C[C@H]1F ZINC001123796891 990669962 /nfs/dbraw/zinc/66/99/62/990669962.db2.gz TWNIDORZIVTRGE-IYSWYEEDSA-N -1 3 229.638 2.342 20 0 BEADHM CC(C)=CCC[C@H](C)NC(=O)c1cnncc1[O-] ZINC001556673582 990842495 /nfs/dbraw/zinc/84/24/95/990842495.db2.gz FYVSQQOHRCPCRZ-JTQLQIEISA-N -1 3 249.314 2.047 20 0 BEADHM CN(Cc1ncccc1[O-])C1CC(F)(F)C1 ZINC001138391699 990930464 /nfs/dbraw/zinc/93/04/64/990930464.db2.gz UDHBNXGTQSBECP-UHFFFAOYSA-N -1 3 228.242 2.017 20 0 BEADHM CC(C)=CCC[C@H](C)Nc1cnc(C)[n-]c1=O ZINC001258087191 990993526 /nfs/dbraw/zinc/99/35/26/990993526.db2.gz HCHPJXXLIUTOSJ-CMPLNLGQSA-N -1 3 235.331 2.109 20 0 BEADHM CC(C)CCc1nnc(-c2ccc([O-])cn2)o1 ZINC001258263700 991192152 /nfs/dbraw/zinc/19/21/52/991192152.db2.gz AKGJYXOHYZEUJW-UHFFFAOYSA-N -1 3 233.271 2.426 20 0 BEADHM CC(=O)c1cc(-c2nnc(CCC(C)C)o2)[n-]n1 ZINC001258265190 991197890 /nfs/dbraw/zinc/19/78/90/991197890.db2.gz VEQRUUCBGUWLCW-UHFFFAOYSA-N -1 3 248.286 2.251 20 0 BEADHM Cc1[nH]c(CN2CCC3(CC3)C2)c(C)c1C(=O)[O-] ZINC001140500544 991654094 /nfs/dbraw/zinc/65/40/94/991654094.db2.gz DCNFDJJTAXAMMI-UHFFFAOYSA-N -1 3 248.326 2.316 20 0 BEADHM O=C([O-])c1ccccc1CN1CC2(CCC2)C1 ZINC001140499342 991655232 /nfs/dbraw/zinc/65/52/32/991655232.db2.gz KTQLVRYXEMWICU-UHFFFAOYSA-N -1 3 231.295 2.371 20 0 BEADHM CCOc1cc(C)c(Nc2cnc[n-]c2=O)cn1 ZINC001203045633 991665896 /nfs/dbraw/zinc/66/58/96/991665896.db2.gz SWSZTJCAHQMHFL-UHFFFAOYSA-N -1 3 246.270 2.028 20 0 BEADHM CCCC[C@@H](CCC)Nc1cnc(C)[n-]c1=O ZINC001258758538 991706889 /nfs/dbraw/zinc/70/68/89/991706889.db2.gz FVLZTOWLKCWDLF-VXGBXAGGSA-N -1 3 237.347 2.333 20 0 BEADHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)C(F)F)cc1 ZINC001259960999 992060917 /nfs/dbraw/zinc/06/09/17/992060917.db2.gz QUHQAORBOSDBKI-MRVPVSSYSA-N -1 3 249.282 2.198 20 0 BEADHM CC(C)([N-]S(=O)(=O)C(F)F)c1ccccc1 ZINC001259958749 992061854 /nfs/dbraw/zinc/06/18/54/992061854.db2.gz FGKVNHRHKXYXGM-UHFFFAOYSA-N -1 3 249.282 2.064 20 0 BEADHM C[C@@H]([N-]S(=O)(=O)C(F)F)C1CCCCC1 ZINC001259963086 992068986 /nfs/dbraw/zinc/06/89/86/992068986.db2.gz QBXXZLCIXJSRPH-SSDOTTSWSA-N -1 3 241.303 2.097 20 0 BEADHM O=C([O-])[C@@H]1C[C@H]1CN1CC[C@H]1c1cccc(F)c1 ZINC001574395686 992853448 /nfs/dbraw/zinc/85/34/48/992853448.db2.gz PIGJPVJDHLIEEG-UHTWSYAYSA-N -1 3 249.285 2.293 20 0 BEADHM Cc1nc(N[C@@H]2CCC[C@@H](F)C2)cc(=O)[n-]1 ZINC001262370468 992865678 /nfs/dbraw/zinc/86/56/78/992865678.db2.gz JHRFPYFTBKARTA-RKDXNWHRSA-N -1 3 225.267 2.183 20 0 BEADHM O=C(CCc1cccc(O)c1)[N-]OCCC1CC1 ZINC001263834570 993545151 /nfs/dbraw/zinc/54/51/51/993545151.db2.gz MYRRYMAEQDMDMT-UHFFFAOYSA-N -1 3 249.310 2.173 20 0 BEADHM CCCc1nnc(-c2ccccc2[O-])o1 ZINC000725374831 994101630 /nfs/dbraw/zinc/10/16/30/994101630.db2.gz HMHCOLFAJHCBOR-UHFFFAOYSA-N -1 3 204.229 2.395 20 0 BEADHM C[C@@H](N[C@H]1CC12CC2)c1cc(C(=O)[O-])co1 ZINC001593220151 994308284 /nfs/dbraw/zinc/30/82/84/994308284.db2.gz QPNSLPNRHBNNFP-XCBNKYQSSA-N -1 3 221.256 2.181 20 0 BEADHM CC1=C[C@H](C)CN(Cc2ccc(C(=O)[O-])o2)C1 ZINC001594109693 998195645 /nfs/dbraw/zinc/19/56/45/998195645.db2.gz KCWYRFCPRNKSOX-VIFPVBQESA-N -1 3 235.283 2.376 20 0 BEADHM CC1=C[C@@H](C)CN(Cc2ccc(C(=O)[O-])o2)C1 ZINC001594109692 998196011 /nfs/dbraw/zinc/19/60/11/998196011.db2.gz KCWYRFCPRNKSOX-SECBINFHSA-N -1 3 235.283 2.376 20 0 BEADHM O=C([O-])c1cc(CN2CCCC2)n2c1CCCC2 ZINC001608842072 1170203669 /nfs/dbraw/zinc/20/36/69/1170203669.db2.gz XLZPXJLJFMOOSH-UHFFFAOYSA-N -1 3 248.326 2.118 20 0 BEADHM CCSc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001609248501 1170241611 /nfs/dbraw/zinc/24/16/11/1170241611.db2.gz BQJXZNLIZJZCHZ-UHFFFAOYSA-N -1 3 220.301 2.287 20 0 BEADHM CCSc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001609248501 1170241615 /nfs/dbraw/zinc/24/16/15/1170241615.db2.gz BQJXZNLIZJZCHZ-UHFFFAOYSA-N -1 3 220.301 2.287 20 0 BEADHM CCc1cc([N-]C(=O)c2ocnc2CC)no1 ZINC001623807461 1170973326 /nfs/dbraw/zinc/97/33/26/1170973326.db2.gz GXQIUCBRSJFNDW-UHFFFAOYSA-N -1 3 235.243 2.040 20 0 BEADHM O=C([N-]c1nccs1)c1cc(Cl)no1 ZINC001624495684 1171038383 /nfs/dbraw/zinc/03/83/83/1171038383.db2.gz ZAOJIILXWVNNSS-UHFFFAOYSA-N -1 3 229.648 2.037 20 0 BEADHM Cc1ccc([O-])c(C(=O)NN2CCCC[C@@H]2C)c1 ZINC001628022875 1171201438 /nfs/dbraw/zinc/20/14/38/1171201438.db2.gz HSYWGEFQVTVHFJ-NSHDSACASA-N -1 3 248.326 2.220 20 0 BEADHM C/C(Cl)=C/C(=O)NCc1ccc([O-])c(F)c1 ZINC001631428531 1171456005 /nfs/dbraw/zinc/45/60/05/1171456005.db2.gz BLSGTWPXSXCPJF-DAXSKMNVSA-N -1 3 243.665 2.290 20 0 BEADHM C=C/C=C\CCNC(=O)Cc1ccc([O-])c(F)c1 ZINC001633446477 1171578516 /nfs/dbraw/zinc/57/85/16/1171578516.db2.gz KXSBDQQMXNZGEM-ARJAWSKDSA-N -1 3 249.285 2.322 20 0 BEADHM O=C(Nc1cccc([O-])c1F)c1ccsn1 ZINC001636435168 1171834192 /nfs/dbraw/zinc/83/41/92/1171834192.db2.gz KQMMKTUTOPAMHJ-UHFFFAOYSA-N -1 3 238.243 2.240 20 0 BEADHM Cc1csc(S(=O)(=O)[N-]C2CC=CC2)c1 ZINC000649847993 398138877 /nfs/dbraw/zinc/13/88/77/398138877.db2.gz LEUOZQDTFSMONS-UHFFFAOYSA-N -1 3 243.353 2.053 20 0 BEADHM C[C@@H](NC(=O)c1ccccc1[O-])[C@@H]1CCCCO1 ZINC000272054572 398147221 /nfs/dbraw/zinc/14/72/21/398147221.db2.gz SINZTEWSDCJSNE-MFKMUULPSA-N -1 3 249.310 2.080 20 0 BEADHM O=c1[n-]c(-c2cccs2)nc2cccnc21 ZINC000491604218 538921264 /nfs/dbraw/zinc/92/12/64/538921264.db2.gz KDCRCRIHTYTOPM-UHFFFAOYSA-N -1 3 229.264 2.047 20 0 BEADHM C[C@@H]1C[C@@H](c2nc3cccnc3c(=O)[n-]2)CCO1 ZINC000491593890 538921413 /nfs/dbraw/zinc/92/14/13/538921413.db2.gz KNLJRPMCRRVHCP-BDAKNGLRSA-N -1 3 245.282 2.013 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2cncs2)n1 ZINC000339116631 187328089 /nfs/dbraw/zinc/32/80/89/187328089.db2.gz UCMDMRZUSIDJCX-IHWYPQMZSA-N -1 3 219.269 2.118 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000192619120 178202868 /nfs/dbraw/zinc/20/28/68/178202868.db2.gz PECDCQMLVSTTID-IJLUTSLNSA-N -1 3 247.342 2.284 20 0 BEADHM O=S(=O)([N-][C@@H]1CC=CCC1)c1cccs1 ZINC000076306388 398235118 /nfs/dbraw/zinc/23/51/18/398235118.db2.gz FFFHCYKGZHTDOM-SECBINFHSA-N -1 3 243.353 2.135 20 0 BEADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@H]1C1CC1 ZINC000175860806 365610700 /nfs/dbraw/zinc/61/07/00/365610700.db2.gz AVYORRSDQIYRQL-UWVGGRQHSA-N -1 3 217.268 2.377 20 0 BEADHM Cc1[nH]ccc1C(=O)Nc1ccccc1[O-] ZINC000176123334 365672408 /nfs/dbraw/zinc/67/24/08/365672408.db2.gz CSYXSFUKWDPIMF-UHFFFAOYSA-N -1 3 216.240 2.281 20 0 BEADHM Cc1ccc(C(=O)N2CCCCO2)c([O-])c1C ZINC000275940773 178385842 /nfs/dbraw/zinc/38/58/42/178385842.db2.gz BVEARFQBBNGBQN-UHFFFAOYSA-N -1 3 235.283 2.177 20 0 BEADHM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](C)C2)c([O-])c1 ZINC000075411973 178398403 /nfs/dbraw/zinc/39/84/03/178398403.db2.gz ZZURXAJOLQACCB-GHMZBOCLSA-N -1 3 233.311 2.429 20 0 BEADHM CC(C)[C@@H](NCc1cccc(F)c1F)C(=O)[O-] ZINC000036889021 538961209 /nfs/dbraw/zinc/96/12/09/538961209.db2.gz DHUJIYSQCZHFJI-LLVKDONJSA-N -1 3 243.253 2.164 20 0 BEADHM CCC(CC)[N-]S(=O)(=O)c1ccccc1F ZINC000035085290 168389975 /nfs/dbraw/zinc/38/99/75/168389975.db2.gz UBIJSVXQNJWWGB-UHFFFAOYSA-N -1 3 245.319 2.293 20 0 BEADHM CN(CCC(=O)[O-])Cc1ccccc1Cl ZINC000032015460 342797213 /nfs/dbraw/zinc/79/72/13/342797213.db2.gz VMSFKIMWLUBFBE-UHFFFAOYSA-N -1 3 227.691 2.247 20 0 BEADHM Cc1nc(C(=O)Nc2ccc(C)cc2[O-])co1 ZINC000186806932 538975038 /nfs/dbraw/zinc/97/50/38/538975038.db2.gz GOFUYPDCNBEDKF-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM C[C@H]1CCCN1Cc1ccc(C(=O)[O-])s1 ZINC000071026376 361931581 /nfs/dbraw/zinc/93/15/81/361931581.db2.gz ADSKLGMIQJDVNP-QMMMGPOBSA-N -1 3 225.313 2.431 20 0 BEADHM Cc1c(C(=O)Nc2ccc([O-])cc2F)ccn1C ZINC000192581642 538996067 /nfs/dbraw/zinc/99/60/67/538996067.db2.gz FGUPAEUMZBSKSJ-UHFFFAOYSA-N -1 3 248.257 2.431 20 0 BEADHM Cc1ccc(CNC(=O)c2ccccc2[O-])o1 ZINC000053039931 1172010144 /nfs/dbraw/zinc/01/01/44/1172010144.db2.gz DYAHIUJHBLPLKM-UHFFFAOYSA-N -1 3 231.251 2.224 20 0 BEADHM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1ccccc1F ZINC000092940993 398307538 /nfs/dbraw/zinc/30/75/38/398307538.db2.gz VLMLSPKJOPNSIC-MWLCHTKSSA-N -1 3 237.274 2.121 20 0 BEADHM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1ccccc1F ZINC000092941001 398307614 /nfs/dbraw/zinc/30/76/14/398307614.db2.gz VLMLSPKJOPNSIC-KOLCDFICSA-N -1 3 237.274 2.121 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@@]12C[C@@H]1CCC2 ZINC000628042442 342895244 /nfs/dbraw/zinc/89/52/44/342895244.db2.gz SKMXFHGEFNPHDV-HZMBPMFUSA-N -1 3 231.295 2.373 20 0 BEADHM CN(Cc1cc([O-])ccc1Cl)CC(C)(C)O ZINC000625169878 342899595 /nfs/dbraw/zinc/89/95/95/342899595.db2.gz RUUBVRPVFOSLCH-UHFFFAOYSA-N -1 3 243.734 2.248 20 0 BEADHM CC[C@@H](C)N(C)C(=O)c1cccc([O-])c1 ZINC000037110708 342920900 /nfs/dbraw/zinc/92/09/00/342920900.db2.gz TUTZYFAFXYZGDR-SECBINFHSA-N -1 3 207.273 2.263 20 0 BEADHM CCc1[n-]n(Cc2cccnc2)c(=O)c1C(C)C ZINC000634591738 342943873 /nfs/dbraw/zinc/94/38/73/342943873.db2.gz LZGDLIUCHKGYHN-CYBMUJFWSA-N -1 3 245.326 2.462 20 0 BEADHM Cc1[nH]c2ccccc2c1CC(=O)[N-]OC(C)C ZINC000294253946 398343990 /nfs/dbraw/zinc/34/39/90/398343990.db2.gz WUJTVTQMKGDVSK-UHFFFAOYSA-N -1 3 246.310 2.475 20 0 BEADHM CCCCCNC(=O)c1cccc(OC)c1[O-] ZINC000019837997 342959547 /nfs/dbraw/zinc/95/95/47/342959547.db2.gz LIWSWSJEXWBEMI-UHFFFAOYSA-N -1 3 237.299 2.321 20 0 BEADHM C[C@H](C1CC1)n1ncc2cc([O-])ccc2c1=O ZINC000634597702 342974634 /nfs/dbraw/zinc/97/46/34/342974634.db2.gz RKIKKLXDFDMTCS-MRVPVSSYSA-N -1 3 230.267 2.073 20 0 BEADHM CCC(CC)n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000634605382 342999613 /nfs/dbraw/zinc/99/96/13/342999613.db2.gz KFJAVLONQXGQFD-GZMMTYOYSA-N -1 3 208.305 2.419 20 0 BEADHM CCC(CC)n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000634605384 342999617 /nfs/dbraw/zinc/99/96/17/342999617.db2.gz KFJAVLONQXGQFD-KWQFWETISA-N -1 3 208.305 2.419 20 0 BEADHM O=C([O-])CCCNCc1ccsc1Cl ZINC000308352358 259339532 /nfs/dbraw/zinc/33/95/32/259339532.db2.gz DADBEEMSKDIHQW-UHFFFAOYSA-N -1 3 233.720 2.356 20 0 BEADHM CCc1ccc(/C=C\C(=O)[N-]OC(C)C)o1 ZINC000493295283 529587528 /nfs/dbraw/zinc/58/75/28/529587528.db2.gz TWWWYRMMZZBVCM-FPLPWBNLSA-N -1 3 223.272 2.311 20 0 BEADHM CCc1ccc(/C=C\C(=O)[N-]OCC(F)F)o1 ZINC000492635373 529587604 /nfs/dbraw/zinc/58/76/04/529587604.db2.gz SGESJCZLDFFZGS-WAYWQWQTSA-N -1 3 245.225 2.168 20 0 BEADHM CCCCCn1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000634619298 343018387 /nfs/dbraw/zinc/01/83/87/343018387.db2.gz VDTYMZGOLNCWQU-GXSJLCMTSA-N -1 3 208.305 2.421 20 0 BEADHM CCc1[n-]n(CCOC(C)C)c(=O)c1C(C)C ZINC000634620191 343018774 /nfs/dbraw/zinc/01/87/74/343018774.db2.gz WFSYFTGGYHBGBU-LBPRGKRZSA-N -1 3 240.347 2.292 20 0 BEADHM O=C([O-])c1ccc2c(c1)CN(CCCF)CC2 ZINC000212063015 343020806 /nfs/dbraw/zinc/02/08/06/343020806.db2.gz UNFJSMCDEAHZPD-UHFFFAOYSA-N -1 3 237.274 2.103 20 0 BEADHM CCc1[n-]n(CC(F)F)c(=O)c1C(C)C ZINC000634622552 343022808 /nfs/dbraw/zinc/02/28/08/343022808.db2.gz IASNUVUQKXWEPU-VIFPVBQESA-N -1 3 218.247 2.132 20 0 BEADHM Cc1[n-]n([C@H](C)C(F)(F)F)c(=O)c1C1CC1 ZINC000634631381 343041863 /nfs/dbraw/zinc/04/18/63/343041863.db2.gz SJWXJQLMURHRAZ-SVRRBLITSA-N -1 3 234.221 2.182 20 0 BEADHM Cc1[n-]n([C@@H](C)c2ccncc2)c(=O)c1C1CC1 ZINC000634626827 343036552 /nfs/dbraw/zinc/03/65/52/343036552.db2.gz NDWOIRWFMXMIGQ-GWCFXTLKSA-N -1 3 243.310 2.387 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C2=C(C)OCCC2)n1 ZINC000273482701 187336896 /nfs/dbraw/zinc/33/68/96/187336896.db2.gz LHOCOYYLTIGJRR-UHFFFAOYSA-N -1 3 248.282 2.119 20 0 BEADHM CCO[N-]C(=O)/C=C\c1ccccc1OCC ZINC000214518776 259346121 /nfs/dbraw/zinc/34/61/21/259346121.db2.gz CQTRWSKPSWNTOV-KTKRTIGZSA-N -1 3 235.283 2.166 20 0 BEADHM CCO[N-]C(=O)/C=C\c1cc(C)ccc1OC ZINC000214516583 259346203 /nfs/dbraw/zinc/34/62/03/259346203.db2.gz VXWYJKDDNCVSCJ-VURMDHGXSA-N -1 3 235.283 2.085 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)c1nccs1 ZINC000683568522 488198359 /nfs/dbraw/zinc/19/83/59/488198359.db2.gz RIAIRQIYRLXAAK-UHFFFAOYSA-N -1 3 238.243 2.240 20 0 BEADHM C[C@H](NCc1ccc(F)cc1F)[C@H](C)C(=O)[O-] ZINC000093028817 343150635 /nfs/dbraw/zinc/15/06/35/343150635.db2.gz XGYYGROUKLBNEH-YUMQZZPRSA-N -1 3 243.253 2.164 20 0 BEADHM Cc1ccc(C)c(CC(=O)[N-]OC(C)C)c1 ZINC000294101419 187242325 /nfs/dbraw/zinc/24/23/25/187242325.db2.gz MTASYXIOGBKDGY-UHFFFAOYSA-N -1 3 221.300 2.302 20 0 BEADHM O=C([O-])c1cnccc1NCc1ccccc1 ZINC000125874324 343167844 /nfs/dbraw/zinc/16/78/44/343167844.db2.gz QYWIFKUETOXLGD-UHFFFAOYSA-N -1 3 228.251 2.392 20 0 BEADHM C[C@@H]1C[C@H](C)CN1Cc1ccc(C(=O)[O-])o1 ZINC000158008529 343200408 /nfs/dbraw/zinc/20/04/08/343200408.db2.gz FDQQJJQAPUDDQD-DTWKUNHWSA-N -1 3 223.272 2.208 20 0 BEADHM C[C@H]1C[C@H](C)N(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000164540312 343207563 /nfs/dbraw/zinc/20/75/63/343207563.db2.gz OLTXYGYFIDSFMK-UWVGGRQHSA-N -1 3 234.299 2.010 20 0 BEADHM C[C@@H]1C[C@H](C)N(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000164540231 343207858 /nfs/dbraw/zinc/20/78/58/343207858.db2.gz OLTXYGYFIDSFMK-ZJUUUORDSA-N -1 3 234.299 2.010 20 0 BEADHM CSC[C@@H](C)C(=O)Nc1nc(C)ccc1[O-] ZINC000273446321 187336973 /nfs/dbraw/zinc/33/69/73/187336973.db2.gz GUFAUKRYKDNDMF-SSDOTTSWSA-N -1 3 240.328 2.033 20 0 BEADHM C[C@H]1C[C@H](NCc2cccc([O-])c2Cl)CO1 ZINC000335664623 136316673 /nfs/dbraw/zinc/31/66/73/136316673.db2.gz UVQJHHDZKSLWML-WPRPVWTQSA-N -1 3 241.718 2.313 20 0 BEADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H](F)C2)ccc1[O-] ZINC000335695505 136326392 /nfs/dbraw/zinc/32/63/92/136326392.db2.gz AXHWWVKPVAKWBM-GHMZBOCLSA-N -1 3 237.274 2.321 20 0 BEADHM Cc1ocnc1C(=O)Nc1cccc([O-])c1F ZINC000335730046 136348663 /nfs/dbraw/zinc/34/86/63/136348663.db2.gz WVKAKIRMAKKUDZ-UHFFFAOYSA-N -1 3 236.202 2.080 20 0 BEADHM CSc1ccc([O-])c(C(=O)N[C@H]2CC23CC3)c1 ZINC000616413046 343427134 /nfs/dbraw/zinc/42/71/34/343427134.db2.gz PASRVYGPLYJVBK-NSHDSACASA-N -1 3 249.335 2.396 20 0 BEADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1csc(=O)[n-]1 ZINC000335700955 136334195 /nfs/dbraw/zinc/33/41/95/136334195.db2.gz UUCVZJADGMDRCC-CBAPKCEASA-N -1 3 240.328 2.109 20 0 BEADHM CC[C@H]1CO[C@H](C)CN1C(=O)c1ccccc1[O-] ZINC000042237514 343432104 /nfs/dbraw/zinc/43/21/04/343432104.db2.gz HHRZXVRWLDSNAX-MNOVXSKESA-N -1 3 249.310 2.032 20 0 BEADHM C[C@H]1CC[C@H](C)N(C(=O)c2csc(=O)[n-]2)C1 ZINC000335857585 136356137 /nfs/dbraw/zinc/35/61/37/136356137.db2.gz VZTVAVBFFHQOBS-YUMQZZPRSA-N -1 3 240.328 2.109 20 0 BEADHM Cc1co[n-]c1=NC(=O)c1ccc(C)cc1F ZINC000335907493 136371230 /nfs/dbraw/zinc/37/12/30/136371230.db2.gz POFLVRHHCZXTBD-UHFFFAOYSA-N -1 3 234.230 2.105 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2C)c1 ZINC000043334152 187267019 /nfs/dbraw/zinc/26/70/19/187267019.db2.gz IETYZABVEBXYOC-VIFPVBQESA-N -1 3 235.283 2.025 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C)(C)C2)n1 ZINC000192606067 365779592 /nfs/dbraw/zinc/77/95/92/365779592.db2.gz ZRBPUNMIMMAXOM-SNVBAGLBSA-N -1 3 235.331 2.284 20 0 BEADHM C[C@@H](NC(=O)c1ccccc1[O-])c1cscn1 ZINC000622748354 343608545 /nfs/dbraw/zinc/60/85/45/343608545.db2.gz AGOSKMNRBOLIQE-MRVPVSSYSA-N -1 3 248.307 2.340 20 0 BEADHM Cc1ccc(NC(=O)C[C@@H]2CCCO2)c([O-])c1 ZINC000047062994 187269207 /nfs/dbraw/zinc/26/92/07/187269207.db2.gz WEYNGXVVKDKJLV-JTQLQIEISA-N -1 3 235.283 2.208 20 0 BEADHM CC1CCN(c2ccncc2C(=O)[O-])CC1 ZINC000088109605 343705412 /nfs/dbraw/zinc/70/54/12/343705412.db2.gz YEJALYDRDOGCBF-UHFFFAOYSA-N -1 3 220.272 2.016 20 0 BEADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCO1 ZINC000336453150 537812087 /nfs/dbraw/zinc/81/20/87/537812087.db2.gz PGWCUQKQFWSMJA-UHFFFAOYSA-N -1 3 243.262 2.323 20 0 BEADHM O=C(/C=C/c1cncc([O-])c1)N[C@@H]1CC=CCC1 ZINC000182032177 346979793 /nfs/dbraw/zinc/97/97/93/346979793.db2.gz PDONJOJEFWBCBY-NNNHXZLVSA-N -1 3 244.294 2.025 20 0 BEADHM C[C@H](CCO)N(C)Cc1cc([O-])ccc1Cl ZINC000625514813 343914977 /nfs/dbraw/zinc/91/49/77/343914977.db2.gz UNUVZGMHFXBXCR-SECBINFHSA-N -1 3 243.734 2.248 20 0 BEADHM Cc1cc(C(=O)N2CC[C@H]3C[C@H]3C2)ccc1[O-] ZINC000619356034 343922596 /nfs/dbraw/zinc/92/25/96/343922596.db2.gz BCCBXKJHJGIMDX-JQWIXIFHSA-N -1 3 231.295 2.183 20 0 BEADHM CCc1cccc(C(=O)N2CC[C@H]3C[C@H]3C2)c1[O-] ZINC000619362080 343954782 /nfs/dbraw/zinc/95/47/82/343954782.db2.gz XDYGZRAWIQJQGL-RYUDHWBXSA-N -1 3 245.322 2.437 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@H](C)C(C)(C)C)c1C ZINC000330537207 187357163 /nfs/dbraw/zinc/35/71/63/187357163.db2.gz XCVMUYDMRMWLAM-VIFPVBQESA-N -1 3 237.347 2.323 20 0 BEADHM CCCCCNC(=O)c1ccc(O)cc1[O-] ZINC000015783401 344233606 /nfs/dbraw/zinc/23/36/06/344233606.db2.gz WUSWTWYHOGSETP-UHFFFAOYSA-N -1 3 223.272 2.018 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000625912869 344560657 /nfs/dbraw/zinc/56/06/57/344560657.db2.gz LDSGETYMWFASFV-PHIMTYICSA-N -1 3 233.311 2.429 20 0 BEADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(C)(C)C ZINC000014221627 344803605 /nfs/dbraw/zinc/80/36/05/344803605.db2.gz TXJCKWSUUNDSTR-MRVPVSSYSA-N -1 3 247.385 2.461 20 0 BEADHM Cc1ccc([O-])c(CN2CCC[C@@H]2C(F)F)n1 ZINC000336559131 178794291 /nfs/dbraw/zinc/79/42/91/178794291.db2.gz WDVUFTRZDRTZBB-SNVBAGLBSA-N -1 3 242.269 2.325 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC1(C2CC2)CC1 ZINC000626110934 345264231 /nfs/dbraw/zinc/26/42/31/345264231.db2.gz XCXCRVXWQOZAOO-UHFFFAOYSA-N -1 3 231.295 2.373 20 0 BEADHM COc1ccc([O-])c(C(=O)NC[C@@H](C)C2CC2)c1 ZINC000132755957 345343091 /nfs/dbraw/zinc/34/30/91/345343091.db2.gz CSNVFLFMBULNFW-SECBINFHSA-N -1 3 249.310 2.177 20 0 BEADHM CSc1nnc(NC(=O)CC(C)=C(C)C)[n-]1 ZINC000635455157 345377686 /nfs/dbraw/zinc/37/76/86/345377686.db2.gz VDUWSBPRPJVEDJ-UHFFFAOYSA-N -1 3 240.332 2.212 20 0 BEADHM CSc1n[n-]c(NC(=O)CC(C)=C(C)C)n1 ZINC000635455157 345377689 /nfs/dbraw/zinc/37/76/89/345377689.db2.gz VDUWSBPRPJVEDJ-UHFFFAOYSA-N -1 3 240.332 2.212 20 0 BEADHM CSc1nc(NC(=O)CC(C)=C(C)C)n[n-]1 ZINC000635455157 345377690 /nfs/dbraw/zinc/37/76/90/345377690.db2.gz VDUWSBPRPJVEDJ-UHFFFAOYSA-N -1 3 240.332 2.212 20 0 BEADHM [O-]c1cc(F)cc(CNCc2ccoc2)c1 ZINC000159627052 345450563 /nfs/dbraw/zinc/45/05/63/345450563.db2.gz ZXQSXYLTGLVHPX-UHFFFAOYSA-N -1 3 221.231 2.414 20 0 BEADHM CCO[N-]C(=O)/C=C/SCc1ccco1 ZINC000084967753 345530440 /nfs/dbraw/zinc/53/04/40/345530440.db2.gz PJBGUTHTJPCPCC-FNORWQNLSA-N -1 3 227.285 2.094 20 0 BEADHM Cc1cnc(NC([O-])=NOC2CCCC2)s1 ZINC000089265181 345553005 /nfs/dbraw/zinc/55/30/05/345553005.db2.gz HIWDSWVGZZRXOA-UHFFFAOYSA-N -1 3 241.316 2.447 20 0 BEADHM Cc1cnc(NC(=O)[N-]OC2CCCC2)s1 ZINC000089265181 345553008 /nfs/dbraw/zinc/55/30/08/345553008.db2.gz HIWDSWVGZZRXOA-UHFFFAOYSA-N -1 3 241.316 2.447 20 0 BEADHM Cc1ocnc1C[N-]c1nc(C(C)C)no1 ZINC000092689678 345636298 /nfs/dbraw/zinc/63/62/98/345636298.db2.gz QRBROXQCCHITKJ-UHFFFAOYSA-N -1 3 222.248 2.102 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCCC1 ZINC000145271129 345710431 /nfs/dbraw/zinc/71/04/31/345710431.db2.gz USBXHEQUVHBQCB-UHFFFAOYSA-N -1 3 237.274 2.086 20 0 BEADHM Cc1ccc2c(c1)[C@@H]([N-]C(=O)C(C)(F)F)CO2 ZINC000367964264 178951281 /nfs/dbraw/zinc/95/12/81/178951281.db2.gz UMFDXHIIQOZGLK-VIFPVBQESA-N -1 3 241.237 2.200 20 0 BEADHM CC(C)OCCCN(C)Cc1ncccc1[O-] ZINC000584318308 346172976 /nfs/dbraw/zinc/17/29/76/346172976.db2.gz CUQIBYMPWMIJEK-UHFFFAOYSA-N -1 3 238.331 2.034 20 0 BEADHM Cc1cccc(C(=O)N(C)C(C)C)c1[O-] ZINC000019837647 179004199 /nfs/dbraw/zinc/00/41/99/179004199.db2.gz MAAZJPPIPHYSHP-UHFFFAOYSA-N -1 3 207.273 2.181 20 0 BEADHM C[C@H](C1CC1)N(C)C(=O)c1ccccc1[O-] ZINC000035207550 346217425 /nfs/dbraw/zinc/21/74/25/346217425.db2.gz GFOHRVVUZWDJDM-SECBINFHSA-N -1 3 219.284 2.263 20 0 BEADHM CN(Cc1ncccc1[O-])[C@@H]1CC1(C)C ZINC000580602752 365809016 /nfs/dbraw/zinc/80/90/16/365809016.db2.gz PMRRBJHPFDXMJK-LLVKDONJSA-N -1 3 206.289 2.018 20 0 BEADHM Cc1cccc(C(=O)N2C[C@H](C)[C@H]2C)c1[O-] ZINC000294095926 179013286 /nfs/dbraw/zinc/01/32/86/179013286.db2.gz MLQRLNOAXUFZBU-VHSXEESVSA-N -1 3 219.284 2.181 20 0 BEADHM Cc1cccc(C(=O)NCCC(C)C)c1[O-] ZINC000015783399 179015793 /nfs/dbraw/zinc/01/57/93/179015793.db2.gz JWGJEMCKWMFRHD-UHFFFAOYSA-N -1 3 221.300 2.477 20 0 BEADHM CCOC(=O)c1cccc(Cl)c1[O-] ZINC000034406309 346265514 /nfs/dbraw/zinc/26/55/14/346265514.db2.gz ODGDGWPLWHOHEP-UHFFFAOYSA-N -1 3 200.621 2.222 20 0 BEADHM CC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186263786 346499260 /nfs/dbraw/zinc/49/92/60/346499260.db2.gz DWRYXUVYJKZREH-QMMMGPOBSA-N -1 3 205.257 2.252 20 0 BEADHM CCc1cc(C(=O)NCCSC)ccc1[O-] ZINC000589826107 346740220 /nfs/dbraw/zinc/74/02/20/346740220.db2.gz VKFBWQLTQDMZEZ-UHFFFAOYSA-N -1 3 239.340 2.047 20 0 BEADHM Cc1cccc([O-])c1NC(=O)C(C)(F)F ZINC000294613579 179160274 /nfs/dbraw/zinc/16/02/74/179160274.db2.gz PLUMJJRTXSSQFW-UHFFFAOYSA-N -1 3 215.199 2.294 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCCCO1 ZINC000183021736 179160509 /nfs/dbraw/zinc/16/05/09/179160509.db2.gz UOMPXMCTUCOJJT-LLVKDONJSA-N -1 3 235.283 2.208 20 0 BEADHM Cc1cccc([O-])c1NC(=O)CC[C@H]1CCOC1 ZINC000183015517 179160763 /nfs/dbraw/zinc/16/07/63/179160763.db2.gz LQVKRVSZMXZRJR-NSHDSACASA-N -1 3 249.310 2.456 20 0 BEADHM CC[C@@H]1C[C@H]1CNC(=O)c1cccc(C)c1[O-] ZINC000388044757 347163753 /nfs/dbraw/zinc/16/37/53/347163753.db2.gz SHXDKCRATSTQHA-MNOVXSKESA-N -1 3 233.311 2.477 20 0 BEADHM CN(Cc1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000382204076 347230783 /nfs/dbraw/zinc/23/07/83/347230783.db2.gz ZTUDZJBSQNFOAT-UHFFFAOYSA-N -1 3 211.261 2.208 20 0 BEADHM CCN(Cc1cc([O-])cc(F)c1)[C@H]1CCOC1 ZINC000310489672 347288438 /nfs/dbraw/zinc/28/84/38/347288438.db2.gz FQNHTCQRPIXRIE-LBPRGKRZSA-N -1 3 239.290 2.142 20 0 BEADHM CCN(Cc1cc([O-])cc(F)c1)[C@@H]1CCOC1 ZINC000310489670 347288860 /nfs/dbraw/zinc/28/88/60/347288860.db2.gz FQNHTCQRPIXRIE-GFCCVEGCSA-N -1 3 239.290 2.142 20 0 BEADHM CC1(C)CN(C(=O)c2ccccc2[O-])CCCO1 ZINC000311035891 347346215 /nfs/dbraw/zinc/34/62/15/347346215.db2.gz DKYRPDWXORCGMC-UHFFFAOYSA-N -1 3 249.310 2.033 20 0 BEADHM CC[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000019837197 347360517 /nfs/dbraw/zinc/36/05/17/347360517.db2.gz WWEGKHNSXQQYTI-SECBINFHSA-N -1 3 207.273 2.229 20 0 BEADHM O=C([O-])[C@@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC000380113166 365889453 /nfs/dbraw/zinc/88/94/53/365889453.db2.gz JBQMFVMOYTVBOB-SMGNDMQFSA-N -1 3 245.322 2.496 20 0 BEADHM Cc1ccccc1CC(=O)[N-]OCC(C)C ZINC000135324104 179258502 /nfs/dbraw/zinc/25/85/02/179258502.db2.gz OFAAPAAIMIUEHK-UHFFFAOYSA-N -1 3 221.300 2.241 20 0 BEADHM CCCOCc1nc2cccc(F)c2c(=O)[n-]1 ZINC000591726657 347692668 /nfs/dbraw/zinc/69/26/68/347692668.db2.gz SACPQQBLUXAXKE-UHFFFAOYSA-N -1 3 236.246 2.401 20 0 BEADHM CCN(CCSC)C(=O)c1ccccc1[O-] ZINC000592745476 347809474 /nfs/dbraw/zinc/80/94/74/347809474.db2.gz FHCMHMUBWLNNHP-UHFFFAOYSA-N -1 3 239.340 2.217 20 0 BEADHM CC(C)(C)OCCNc1ccncc1C(=O)[O-] ZINC000308573484 347873604 /nfs/dbraw/zinc/87/36/04/347873604.db2.gz LMXDUPUFEIRJGO-UHFFFAOYSA-N -1 3 238.287 2.007 20 0 BEADHM CC[C@@H](C)C[N-]S(=O)(=O)c1ccccc1F ZINC000054472602 348026105 /nfs/dbraw/zinc/02/61/05/348026105.db2.gz WMPWBXXNCSTTDK-SECBINFHSA-N -1 3 245.319 2.150 20 0 BEADHM COc1ccc(C(=O)N(C)C(C)(C)C)c([O-])c1 ZINC000334799642 133748099 /nfs/dbraw/zinc/74/80/99/133748099.db2.gz LQHBOHTWUODLEW-UHFFFAOYSA-N -1 3 237.299 2.271 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)C1CC1 ZINC000623510990 362936601 /nfs/dbraw/zinc/93/66/01/362936601.db2.gz VFRGIAYUGZVFKR-VIFPVBQESA-N -1 3 219.284 2.229 20 0 BEADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cn2)[C@H]1C ZINC000252214821 349198630 /nfs/dbraw/zinc/19/86/30/349198630.db2.gz XJCWALCVOPDVMM-MNOVXSKESA-N -1 3 248.326 2.400 20 0 BEADHM O=[S@@](CC1CCC1)c1cccc([O-])c1 ZINC000601913677 349378534 /nfs/dbraw/zinc/37/85/34/349378534.db2.gz TWCSONVCQAFTNA-AWEZNQCLSA-N -1 3 210.298 2.300 20 0 BEADHM CCC[C@H](OCC)C(=O)[N-]c1onc(C)c1C ZINC000636925415 350072536 /nfs/dbraw/zinc/07/25/36/350072536.db2.gz POFCEQRDINYYQF-JTQLQIEISA-N -1 3 240.303 2.435 20 0 BEADHM C[C@]1(C(=O)[O-])CCCN(CCC(F)(F)F)C1 ZINC000070914717 350073855 /nfs/dbraw/zinc/07/38/55/350073855.db2.gz BADAHXCPUJBWRX-VIFPVBQESA-N -1 3 239.237 2.126 20 0 BEADHM Cc1nc2c(s1)[C@H]([N-]C(=O)C(F)F)CCC2 ZINC000370606521 180074389 /nfs/dbraw/zinc/07/43/89/180074389.db2.gz MLIUYOIEFOSMNW-SSDOTTSWSA-N -1 3 246.282 2.210 20 0 BEADHM Cc1ncc(CO)c(CNc2ccccc2)c1[O-] ZINC000006900448 180160177 /nfs/dbraw/zinc/16/01/77/180160177.db2.gz XOUHMFLGCSEBDR-UHFFFAOYSA-N -1 3 244.294 2.200 20 0 BEADHM CCCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000133082186 168620748 /nfs/dbraw/zinc/62/07/48/168620748.db2.gz JTPGYAABAFEJDC-UHFFFAOYSA-N -1 3 225.263 2.338 20 0 BEADHM Cc1ncsc1CCC(=O)[N-]OCC(C)C ZINC000298176128 180307700 /nfs/dbraw/zinc/30/77/00/180307700.db2.gz RTIIPUHXGCWOSO-UHFFFAOYSA-N -1 3 242.344 2.088 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@]12C[C@@H]1CCC2 ZINC000617218999 350389711 /nfs/dbraw/zinc/38/97/11/350389711.db2.gz SUZNNEBBOTXIQY-HZMBPMFUSA-N -1 3 249.285 2.133 20 0 BEADHM Cc1ccc(C(=O)NC2CC=CC2)c([O-])c1 ZINC000131225720 490628694 /nfs/dbraw/zinc/62/86/94/490628694.db2.gz CAPLVBJMDPPMAG-UHFFFAOYSA-N -1 3 217.268 2.149 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2cncs2)n1 ZINC000339116632 350734601 /nfs/dbraw/zinc/73/46/01/350734601.db2.gz UCMDMRZUSIDJCX-NSCUHMNNSA-N -1 3 219.269 2.118 20 0 BEADHM Cc1cc(C(=O)[N-]c2nc(C(C)C)co2)on1 ZINC000637638186 351054417 /nfs/dbraw/zinc/05/44/17/351054417.db2.gz QTXLDQFLCUVFRI-UHFFFAOYSA-N -1 3 235.243 2.347 20 0 BEADHM C[C@@H](C1CC1)N(C)C(=O)c1cccc([O-])c1 ZINC000036786184 358462417 /nfs/dbraw/zinc/46/24/17/358462417.db2.gz JLQGPVUFDRNHPQ-VIFPVBQESA-N -1 3 219.284 2.263 20 0 BEADHM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000275454909 351599604 /nfs/dbraw/zinc/59/96/04/351599604.db2.gz JDTVLEWUEREDGB-ZJUUUORDSA-N -1 3 243.328 2.137 20 0 BEADHM CN(Cc1csc(C(=O)[O-])c1)C1CC1 ZINC000577642689 366029700 /nfs/dbraw/zinc/02/97/00/366029700.db2.gz QTTONGHBXZSECY-UHFFFAOYSA-N -1 3 211.286 2.041 20 0 BEADHM CC[C@@H](Nc1ccnc2ccc(C)cc21)C(=O)[O-] ZINC000577723552 366044301 /nfs/dbraw/zinc/04/43/01/366044301.db2.gz LZFXKKAUNMUXMH-LLVKDONJSA-N -1 3 244.294 2.240 20 0 BEADHM COC[C@@H](C)CC(=O)Nc1ccccc1[O-] ZINC000340104909 351903671 /nfs/dbraw/zinc/90/36/71/351903671.db2.gz XMOMQFHKUXGMCD-VIFPVBQESA-N -1 3 223.272 2.003 20 0 BEADHM CCc1nc(C)c(C(=O)[N-]c2cc(C)on2)o1 ZINC000292710007 352327664 /nfs/dbraw/zinc/32/76/64/352327664.db2.gz KSQYXDUUNVUJRR-UHFFFAOYSA-N -1 3 235.243 2.094 20 0 BEADHM CC[C@H]1CCN1C(=O)c1ccccc1[O-] ZINC000293932102 187697919 /nfs/dbraw/zinc/69/79/19/187697919.db2.gz HQRHXHUIHJSXFN-VIFPVBQESA-N -1 3 205.257 2.017 20 0 BEADHM CN(Cc1ccoc1)C(=O)c1ccccc1[O-] ZINC000042356172 352627319 /nfs/dbraw/zinc/62/73/19/352627319.db2.gz PKRKXSMCZDPKGN-UHFFFAOYSA-N -1 3 231.251 2.257 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])c1cc(F)c[nH]1 ZINC000334199118 352791445 /nfs/dbraw/zinc/79/14/45/352791445.db2.gz MDGPTZRJMVWIEZ-UHFFFAOYSA-N -1 3 238.193 2.251 20 0 BEADHM Cc1cccc([O-])c1NC(=O)c1cncs1 ZINC000334237557 352856353 /nfs/dbraw/zinc/85/63/53/352856353.db2.gz IZRZDDYWKJJXNX-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@H](C)C2CCC2)c1C ZINC000412064184 191257289 /nfs/dbraw/zinc/25/72/89/191257289.db2.gz DPNVPBGAAXXSBS-MRVPVSSYSA-N -1 3 235.331 2.077 20 0 BEADHM Cc1cccc(C(=O)N[C@@H]2CC[C@@H](F)C2)c1[O-] ZINC000334365295 353019196 /nfs/dbraw/zinc/01/91/96/353019196.db2.gz HOPNZRNOQVCHPJ-NXEZZACHSA-N -1 3 237.274 2.321 20 0 BEADHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1ncccc1[O-] ZINC000186822038 188001022 /nfs/dbraw/zinc/00/10/22/188001022.db2.gz QEGLUJNARFXLAA-DTWKUNHWSA-N -1 3 220.272 2.018 20 0 BEADHM CC(C)N(C(=O)c1cccc([O-])c1)C1CC1 ZINC000272719855 188026773 /nfs/dbraw/zinc/02/67/73/188026773.db2.gz FAYPFWRMXIACEZ-UHFFFAOYSA-N -1 3 219.284 2.405 20 0 BEADHM CC(=O)CC(C)(C)CC(=O)[N-]OC/C=C/Cl ZINC000291431226 188036436 /nfs/dbraw/zinc/03/64/36/188036436.db2.gz AJPVZTLLLGGYLK-SNAWJCMRSA-N -1 3 247.722 2.182 20 0 BEADHM Cc1cc(Cl)cc(NC(=O)C(C)(C)O)c1[O-] ZINC000191877336 188004527 /nfs/dbraw/zinc/00/45/27/188004527.db2.gz INXJBJWPWGUWKZ-UHFFFAOYSA-N -1 3 243.690 2.063 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@H](C)CC(F)F)n1 ZINC000412246669 191271673 /nfs/dbraw/zinc/27/16/73/191271673.db2.gz PDBYXANLXLVYIP-ZCFIWIBFSA-N -1 3 244.241 2.325 20 0 BEADHM Cc1ccc([O-])c(CNC[C@H](C)C(F)(F)F)n1 ZINC000359100517 188240334 /nfs/dbraw/zinc/24/03/34/188240334.db2.gz HMGHSPFFYROUAH-ZETCQYMHSA-N -1 3 248.248 2.384 20 0 BEADHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000275454906 188379401 /nfs/dbraw/zinc/37/94/01/188379401.db2.gz JDTVLEWUEREDGB-VHSXEESVSA-N -1 3 243.328 2.137 20 0 BEADHM CC(C)CON=C([O-])Nc1ccc2c(n1)CCC2 ZINC000296822330 188395217 /nfs/dbraw/zinc/39/52/17/188395217.db2.gz QLMLPLHRQFTCAA-UHFFFAOYSA-N -1 3 249.314 2.279 20 0 BEADHM CC(C)CO[N-]C(=O)Nc1ccc2c(n1)CCC2 ZINC000296822330 188395219 /nfs/dbraw/zinc/39/52/19/188395219.db2.gz QLMLPLHRQFTCAA-UHFFFAOYSA-N -1 3 249.314 2.279 20 0 BEADHM CC[C@H]1CCN1C(=O)c1cccc([O-])c1 ZINC000293912544 188392208 /nfs/dbraw/zinc/39/22/08/188392208.db2.gz GMDMIRRBCGWTJS-JTQLQIEISA-N -1 3 205.257 2.017 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CC1(F)F ZINC000334577700 354120992 /nfs/dbraw/zinc/12/09/92/354120992.db2.gz UQTJPAOXCFSUPG-ZCFIWIBFSA-N -1 3 231.173 2.125 20 0 BEADHM CC(=O)c1ccc(C(=O)N2[C@@H](C)C[C@@H]2C)cc1[O-] ZINC000334640099 354395409 /nfs/dbraw/zinc/39/54/09/354395409.db2.gz VXTVSDKOIRWQSY-IUCAKERBSA-N -1 3 247.294 2.218 20 0 BEADHM COc1ccc(C(=O)N2CC[C@H]2C2CC2)c([O-])c1 ZINC000334665417 354466719 /nfs/dbraw/zinc/46/67/19/354466719.db2.gz GNGZTCCVNWGHIL-LBPRGKRZSA-N -1 3 247.294 2.025 20 0 BEADHM C[C@@]1(C(=O)Nc2cc(F)ccc2[O-])C[C@H]1F ZINC000335106719 354691419 /nfs/dbraw/zinc/69/14/19/354691419.db2.gz HBPLIDSNFHHIDG-MWLCHTKSSA-N -1 3 227.210 2.218 20 0 BEADHM Cc1ccc([O-])c(NC(=O)c2ccc(F)cc2)n1 ZINC000345936774 354813567 /nfs/dbraw/zinc/81/35/67/354813567.db2.gz JZBZECAYYANYLH-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Cc1ccc([O-])c(NC(=O)Cc2ccccc2)n1 ZINC000345939022 354814312 /nfs/dbraw/zinc/81/43/12/354814312.db2.gz YGWBEKQBEPEBBV-UHFFFAOYSA-N -1 3 242.278 2.277 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CC[C@H](C)C2)n1 ZINC000345922788 354827005 /nfs/dbraw/zinc/82/70/05/354827005.db2.gz GJBYNJXYNSVAKC-WCBMZHEXSA-N -1 3 234.299 2.470 20 0 BEADHM C[C@@H]1CCCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000335145347 354854425 /nfs/dbraw/zinc/85/44/25/354854425.db2.gz AQJRXULMLXTIFO-GHMZBOCLSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@H]1CCCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000335145350 354854923 /nfs/dbraw/zinc/85/49/23/354854923.db2.gz AQJRXULMLXTIFO-WDEREUQCSA-N -1 3 248.326 2.230 20 0 BEADHM Cc1nsc(C)c1C(=O)Nc1ncccc1[O-] ZINC000346306646 354891276 /nfs/dbraw/zinc/89/12/76/354891276.db2.gz JWFRJZYPNRVWBK-UHFFFAOYSA-N -1 3 249.295 2.113 20 0 BEADHM Cc1o[n-]c(=NC(=O)c2[nH]ccc2C2CC2)c1C ZINC000335179254 354952486 /nfs/dbraw/zinc/95/24/86/354952486.db2.gz RIMKUNHJDSDBAE-UHFFFAOYSA-N -1 3 245.282 2.171 20 0 BEADHM Cc1cc(C(=O)NC[C@H]2CC23CC3)ccc1[O-] ZINC000335195874 355028855 /nfs/dbraw/zinc/02/88/55/355028855.db2.gz VEIAHQZEGSOSNN-LLVKDONJSA-N -1 3 231.295 2.231 20 0 BEADHM COCCCC(=O)Nc1ccc([O-])cc1Cl ZINC000087436180 355228249 /nfs/dbraw/zinc/22/82/49/355228249.db2.gz RAJJQVSZKHLXGW-UHFFFAOYSA-N -1 3 243.690 2.411 20 0 BEADHM CN(Cc1cccs1)[C@@H](C(=O)[O-])C1CC1 ZINC000084093451 355288772 /nfs/dbraw/zinc/28/87/72/355288772.db2.gz OKLDCZVYUFGIPU-SNVBAGLBSA-N -1 3 225.313 2.043 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@H]2CCCC2(C)C)c1C ZINC000335753639 355393040 /nfs/dbraw/zinc/39/30/40/355393040.db2.gz BBDZVYATLYGPMP-SNVBAGLBSA-N -1 3 249.358 2.467 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCO[C@H]1C ZINC000335809237 355483849 /nfs/dbraw/zinc/48/38/49/355483849.db2.gz PLDSTSZYMYMFRB-VHSXEESVSA-N -1 3 235.283 2.064 20 0 BEADHM O=C(Nc1ccccc1[O-])[C@H]1CCCSC1 ZINC000335846113 355589394 /nfs/dbraw/zinc/58/93/94/355589394.db2.gz QWYISXHTOCKSSA-VIFPVBQESA-N -1 3 237.324 2.474 20 0 BEADHM CCCCOCC[S@@](=O)c1cccc([O-])c1 ZINC000350504361 355713695 /nfs/dbraw/zinc/71/36/95/355713695.db2.gz BUFYGGUXHSPSFZ-MRXNPFEDSA-N -1 3 242.340 2.317 20 0 BEADHM Cc1nc([N-]C(=O)c2cc(Cl)no2)oc1C ZINC001640803824 1172191484 /nfs/dbraw/zinc/19/14/84/1172191484.db2.gz JHTMJWDVZBUIAE-UHFFFAOYSA-N -1 3 241.634 2.185 20 0 BEADHM C[C@H]1[C@@H](C(=O)Nc2cccc([O-])c2F)C1(F)F ZINC000336027458 134057849 /nfs/dbraw/zinc/05/78/49/134057849.db2.gz OLPZTOWYFDMSTG-XNCJUZBTSA-N -1 3 245.200 2.371 20 0 BEADHM Cc1[nH]nc(C(=O)Nc2c(C)cccc2[O-])c1C ZINC000336157778 134106453 /nfs/dbraw/zinc/10/64/53/134106453.db2.gz JSAJCUMCMPXSJD-UHFFFAOYSA-N -1 3 245.282 2.293 20 0 BEADHM CC[C@H](C)C[N-]S(=O)(=O)c1cccs1 ZINC000420707535 192257850 /nfs/dbraw/zinc/25/78/50/192257850.db2.gz NSHNRMKBWOLHKM-QMMMGPOBSA-N -1 3 233.358 2.073 20 0 BEADHM Cc1cccc([O-])c1NC(=O)c1ccc[nH]1 ZINC000179543636 366267510 /nfs/dbraw/zinc/26/75/10/366267510.db2.gz FOTNIKDWKZVZOK-UHFFFAOYSA-N -1 3 216.240 2.281 20 0 BEADHM CC(F)(F)CCCNc1ccncc1C(=O)[O-] ZINC000389658861 356712571 /nfs/dbraw/zinc/71/25/71/356712571.db2.gz DBWMCRWYDUWNBD-UHFFFAOYSA-N -1 3 244.241 2.049 20 0 BEADHM CC[C@@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000623345691 356752127 /nfs/dbraw/zinc/75/21/27/356752127.db2.gz NYNAOHYDVIOVCR-SECBINFHSA-N -1 3 207.273 2.229 20 0 BEADHM COCCCCc1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000351853951 538709061 /nfs/dbraw/zinc/70/90/61/538709061.db2.gz PUEPNYXAFUBOAF-UHFFFAOYSA-N -1 3 248.282 2.010 20 0 BEADHM COc1ccc(NC(=O)C[C@H]2C[C@H]2C)c([O-])c1 ZINC000356008284 538806374 /nfs/dbraw/zinc/80/63/74/538806374.db2.gz LHODVEMPJJSXPJ-RKDXNWHRSA-N -1 3 235.283 2.385 20 0 BEADHM CCN(Cc1cc(C(=O)[O-])c(C)o1)C1CC1 ZINC000035432244 357992352 /nfs/dbraw/zinc/99/23/52/357992352.db2.gz LRNUULUBDZPHEI-UHFFFAOYSA-N -1 3 223.272 2.271 20 0 BEADHM [O-]c1ccc(-c2noc(-c3cocn3)n2)cc1 ZINC000350580013 358099932 /nfs/dbraw/zinc/09/99/32/358099932.db2.gz OLGOPSMPTOQLQN-UHFFFAOYSA-N -1 3 229.195 2.097 20 0 BEADHM CCc1ccc([C@@H]2CCCN2CCC(=O)[O-])o1 ZINC000584685265 358151294 /nfs/dbraw/zinc/15/12/94/358151294.db2.gz QMCDSVBIXQJPGJ-NSHDSACASA-N -1 3 237.299 2.454 20 0 BEADHM COc1ccc(F)cc1C(=O)[N-]c1cnoc1 ZINC000623940894 358220625 /nfs/dbraw/zinc/22/06/25/358220625.db2.gz PXWQOAWQQQZARQ-UHFFFAOYSA-N -1 3 236.202 2.075 20 0 BEADHM Cc1ccsc1C(=O)[N-]c1nc(C)no1 ZINC000048699673 358649286 /nfs/dbraw/zinc/64/92/86/358649286.db2.gz YYWMNUCHBKQTQT-UHFFFAOYSA-N -1 3 223.257 2.000 20 0 BEADHM COc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H]2C)c1 ZINC000134989391 358814881 /nfs/dbraw/zinc/81/48/81/358814881.db2.gz VYDKXEHHSMYSQT-ZJUUUORDSA-N -1 3 249.310 2.271 20 0 BEADHM CCC[C@H](C)Cc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351367509 366517714 /nfs/dbraw/zinc/51/77/14/366517714.db2.gz IRBHZYMDXWBMMP-QMMMGPOBSA-N -1 3 248.286 2.211 20 0 BEADHM CCC1(c2nc(-c3cc(=O)[n-]cn3)no2)CCC1 ZINC000351367180 366518067 /nfs/dbraw/zinc/51/80/67/366518067.db2.gz IAPLWADQTNLILN-UHFFFAOYSA-N -1 3 246.270 2.064 20 0 BEADHM CCC[C@@H](C)Cc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351367507 366518333 /nfs/dbraw/zinc/51/83/33/366518333.db2.gz IRBHZYMDXWBMMP-MRVPVSSYSA-N -1 3 248.286 2.211 20 0 BEADHM CC[C@@H](C)CCc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351375168 366519326 /nfs/dbraw/zinc/51/93/26/366519326.db2.gz RSDAPMKZOMFEPA-MRVPVSSYSA-N -1 3 248.286 2.211 20 0 BEADHM CC[C@@H]1CCC[C@@H]1NC(=O)Cc1cncc([O-])c1 ZINC000578337958 366528052 /nfs/dbraw/zinc/52/80/52/366528052.db2.gz XMZJBNIWYTXVBW-YPMHNXCESA-N -1 3 248.326 2.025 20 0 BEADHM N[C@@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000070216756 359044212 /nfs/dbraw/zinc/04/42/12/359044212.db2.gz JBIGHGFCMOSVBW-CYBMUJFWSA-N -1 3 242.278 2.031 20 0 BEADHM CN(C(=O)c1cccc([O-])c1)c1cccnc1 ZINC000070231252 359045596 /nfs/dbraw/zinc/04/55/96/359045596.db2.gz XOTGVZOMPPHJOD-UHFFFAOYSA-N -1 3 228.251 2.064 20 0 BEADHM CC(C)CCC[N-]S(=O)(=O)c1cccs1 ZINC000075660235 359188514 /nfs/dbraw/zinc/18/85/14/359188514.db2.gz DDMPDBHEGFIXOO-UHFFFAOYSA-N -1 3 247.385 2.463 20 0 BEADHM CCc1cc(=O)[n-]c(CN2C[C@H](C)CC[C@H]2C)n1 ZINC000246554859 359146556 /nfs/dbraw/zinc/14/65/56/359146556.db2.gz KJGXGCKBCDDXTL-GHMZBOCLSA-N -1 3 249.358 2.365 20 0 BEADHM CSc1ccc([O-])c(C(=O)NCC(F)F)c1 ZINC000611733162 359437931 /nfs/dbraw/zinc/43/79/31/359437931.db2.gz ZJMHMRXAVPLURW-UHFFFAOYSA-N -1 3 247.266 2.109 20 0 BEADHM COc1ccc(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)c([O-])c1 ZINC000613833228 363658280 /nfs/dbraw/zinc/65/82/80/363658280.db2.gz XXQSDLAFKRYFEX-MYJAWHEDSA-N -1 3 247.294 2.385 20 0 BEADHM O=[S@](Cc1ccccn1)c1ccc([O-])cc1 ZINC000191181883 359536997 /nfs/dbraw/zinc/53/69/97/359536997.db2.gz ZZIUHVVCVNEDGT-MRXNPFEDSA-N -1 3 233.292 2.095 20 0 BEADHM C[C@@H](CCC1CC1)NC(=O)Cc1cncc([O-])c1 ZINC000578452381 366573156 /nfs/dbraw/zinc/57/31/56/366573156.db2.gz IZYCYSOUVWENOA-JTQLQIEISA-N -1 3 248.326 2.025 20 0 BEADHM CCCC(C)(C)NC(=O)c1cc(F)c[n-]c1=O ZINC000622018543 370666340 /nfs/dbraw/zinc/66/63/40/370666340.db2.gz RGKIUWSBKLKYSC-UHFFFAOYSA-N -1 3 240.278 2.235 20 0 BEADHM CN(CCC(F)(F)F)C(=O)c1cccc([O-])c1 ZINC000088431885 359954704 /nfs/dbraw/zinc/95/47/04/359954704.db2.gz MCPAPOOKXAUESL-UHFFFAOYSA-N -1 3 247.216 2.417 20 0 BEADHM O=C(Nc1ccncc1[O-])[C@@H]1CCCC2(CC2)C1 ZINC000613086300 360347939 /nfs/dbraw/zinc/34/79/39/360347939.db2.gz KWWJBUMMUFCMAK-SNVBAGLBSA-N -1 3 246.310 2.118 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000614164218 363727341 /nfs/dbraw/zinc/72/73/41/363727341.db2.gz LBSWFMRZXLHNGL-MXWKQRLJSA-N -1 3 246.310 2.470 20 0 BEADHM O=C(N[C@H]1CCCC12CC2)c1ccc(O)cc1[O-] ZINC000633776516 360473678 /nfs/dbraw/zinc/47/36/78/360473678.db2.gz HOXAQFSARFKXIH-LBPRGKRZSA-N -1 3 247.294 2.160 20 0 BEADHM C/C=C\CNC(=O)c1c(C)cccc1[O-] ZINC000629032194 360811267 /nfs/dbraw/zinc/81/12/67/360811267.db2.gz XRNWXWXCXATMMT-ARJAWSKDSA-N -1 3 205.257 2.007 20 0 BEADHM C[C@H]1C[C@@H]1CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000629361594 361010664 /nfs/dbraw/zinc/01/06/64/361010664.db2.gz JIACWZACUHQQKB-JOYOIKCWSA-N -1 3 231.295 2.356 20 0 BEADHM C[C@@H]1C[C@H]1CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000629361595 361010729 /nfs/dbraw/zinc/01/07/29/361010729.db2.gz JIACWZACUHQQKB-SKDRFNHKSA-N -1 3 231.295 2.356 20 0 BEADHM C[C@H]1C[C@@H]1COc1ccc2c([O-])coc2c1 ZINC000629375079 361025572 /nfs/dbraw/zinc/02/55/72/361025572.db2.gz BMDAUSBXUMKVJG-DTWKUNHWSA-N -1 3 218.252 2.297 20 0 BEADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cscn1 ZINC000578983941 366685764 /nfs/dbraw/zinc/68/57/64/366685764.db2.gz DBIPLDJHMBGMPH-MRVPVSSYSA-N -1 3 248.373 2.000 20 0 BEADHM Cc1cc(C(=O)N2CC(C)(C)C2)ccc1[O-] ZINC000309692805 491154538 /nfs/dbraw/zinc/15/45/38/491154538.db2.gz CEGHQRRISZUAAH-UHFFFAOYSA-N -1 3 219.284 2.183 20 0 BEADHM CCC[C@@H](C)C(=O)Nc1cccc2n[n-]nc21 ZINC000640380958 361190209 /nfs/dbraw/zinc/19/02/09/361190209.db2.gz ZYGPNQFHNAEVJL-MRVPVSSYSA-N -1 3 232.287 2.333 20 0 BEADHM C[C@H](C(=O)Nc1cccc2n[n-]nc21)C1CCC1 ZINC000640378721 361191615 /nfs/dbraw/zinc/19/16/15/361191615.db2.gz FVEJKWOGZICJGJ-QMMMGPOBSA-N -1 3 244.298 2.333 20 0 BEADHM CO[C@@H](C(=O)Nc1c(C)cccc1[O-])C1CCC1 ZINC000613207343 361217759 /nfs/dbraw/zinc/21/77/59/361217759.db2.gz PSCKCJSASVOPPC-CYBMUJFWSA-N -1 3 249.310 2.454 20 0 BEADHM Cc1nocc1[N-]C(=O)c1oc(C2CC2)nc1C ZINC000640484126 361274911 /nfs/dbraw/zinc/27/49/11/361274911.db2.gz SLRZXBCAQCNYFL-UHFFFAOYSA-N -1 3 247.254 2.409 20 0 BEADHM CCC(=O)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436785175 201336357 /nfs/dbraw/zinc/33/63/57/201336357.db2.gz DDPPAVMKZAHNTR-UHFFFAOYSA-N -1 3 249.310 2.225 20 0 BEADHM O=C(NCC1(C(F)F)CC1)c1ccccc1[O-] ZINC000436855171 201339412 /nfs/dbraw/zinc/33/94/12/201339412.db2.gz USYLABQBDCEIBD-UHFFFAOYSA-N -1 3 241.237 2.167 20 0 BEADHM Cc1ccc(NC(=O)c2ccccc2[O-])c(=O)[nH]1 ZINC000436931485 201340355 /nfs/dbraw/zinc/34/03/55/201340355.db2.gz KKORSQVRJLFOFH-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM CC1(C)CC[C@@H]1C(=O)N=c1cc2ccccn2[n-]1 ZINC000614710160 363936703 /nfs/dbraw/zinc/93/67/03/363936703.db2.gz RBDYSQYTYRMXJJ-LLVKDONJSA-N -1 3 243.310 2.131 20 0 BEADHM Cc1cccc(C(=O)N2C3CCC2CC3)c1[O-] ZINC000398927971 364090318 /nfs/dbraw/zinc/09/03/18/364090318.db2.gz DSMLMZKVUVRYMA-UHFFFAOYSA-N -1 3 231.295 2.468 20 0 BEADHM CC[C@H](C)CCNC(=O)c1c([O-])cccc1O ZINC000622143216 370733045 /nfs/dbraw/zinc/73/30/45/370733045.db2.gz KNBIENMVJDWKRY-VIFPVBQESA-N -1 3 237.299 2.264 20 0 BEADHM CCCCS(=O)(=O)c1ncc(C(C)C)[n-]1 ZINC000630432149 364158482 /nfs/dbraw/zinc/15/84/82/364158482.db2.gz HKASGGIQFKWXID-UHFFFAOYSA-N -1 3 230.333 2.107 20 0 BEADHM CCCCS(=O)(=O)c1nc(C(C)C)c[n-]1 ZINC000630432149 364158488 /nfs/dbraw/zinc/15/84/88/364158488.db2.gz HKASGGIQFKWXID-UHFFFAOYSA-N -1 3 230.333 2.107 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)c([O-])c1 ZINC000630438951 364167837 /nfs/dbraw/zinc/16/78/37/364167837.db2.gz GVIYNSVCAXAZJV-HBNTYKKESA-N -1 3 249.310 2.453 20 0 BEADHM CCCN(C(=O)c1cc(F)c[n-]c1=O)C(C)C ZINC000622128637 370725757 /nfs/dbraw/zinc/72/57/57/370725757.db2.gz BASUEINYAQXCRK-UHFFFAOYSA-N -1 3 240.278 2.187 20 0 BEADHM [O-]c1cccnc1CSc1nnc(C2CC2)[nH]1 ZINC000579549713 366860730 /nfs/dbraw/zinc/86/07/30/366860730.db2.gz QWJRHCPLYSDPAW-UHFFFAOYSA-N -1 3 248.311 2.075 20 0 BEADHM COc1ccc(NC(=O)c2c[nH]cc2C)c([O-])c1 ZINC000334607836 541415747 /nfs/dbraw/zinc/41/57/47/541415747.db2.gz WANZABLUFBOXTH-UHFFFAOYSA-N -1 3 246.266 2.290 20 0 BEADHM C[C@H](C(=O)N=c1cc2ccccn2[n-]1)C1CCC1 ZINC000574161746 364999356 /nfs/dbraw/zinc/99/93/56/364999356.db2.gz GMLZWLJSLNZZCL-JTQLQIEISA-N -1 3 243.310 2.131 20 0 BEADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@H]1C1CCC1 ZINC000575874052 365398875 /nfs/dbraw/zinc/39/88/75/365398875.db2.gz NLCVFVWQOOASQS-VHSXEESVSA-N -1 3 232.283 2.162 20 0 BEADHM Cc1cncc(CNC(=O)c2cccc([O-])c2)c1 ZINC000182944437 366960303 /nfs/dbraw/zinc/96/03/03/366960303.db2.gz WCWXPNUVIAZMDP-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM CSCC[C@@H](C)N(C)Cc1ncccc1[O-] ZINC000579763522 367002311 /nfs/dbraw/zinc/00/23/11/367002311.db2.gz BMHHRGDPNNBVHY-SNVBAGLBSA-N -1 3 240.372 2.361 20 0 BEADHM CC(C)(C)c1noc(OCc2ncccc2[O-])n1 ZINC000579854376 367052779 /nfs/dbraw/zinc/05/27/79/367052779.db2.gz WZZYENSSXNPPEY-UHFFFAOYSA-N -1 3 249.270 2.047 20 0 BEADHM CO[C@H](C)CCC(=O)Nc1cccc([O-])c1F ZINC000184146222 367065650 /nfs/dbraw/zinc/06/56/50/367065650.db2.gz HTQIVBNHODHQDC-MRVPVSSYSA-N -1 3 241.262 2.285 20 0 BEADHM CCC(C)(CC)NC(=O)c1cccc2nn[n-]c21 ZINC000183614968 367032663 /nfs/dbraw/zinc/03/26/63/367032663.db2.gz ZCVCSIJYNZVUGR-UHFFFAOYSA-N -1 3 246.314 2.266 20 0 BEADHM CCC(C)(CC)NC(=O)c1cccc2[n-]nnc21 ZINC000183614968 367032669 /nfs/dbraw/zinc/03/26/69/367032669.db2.gz ZCVCSIJYNZVUGR-UHFFFAOYSA-N -1 3 246.314 2.266 20 0 BEADHM CCC(C)(CC)NC(=O)c1cccc2n[n-]nc21 ZINC000183614968 367032672 /nfs/dbraw/zinc/03/26/72/367032672.db2.gz ZCVCSIJYNZVUGR-UHFFFAOYSA-N -1 3 246.314 2.266 20 0 BEADHM COC(C)(C)CC(=O)Nc1cccc([O-])c1F ZINC000581702830 367727179 /nfs/dbraw/zinc/72/71/79/367727179.db2.gz XPBRHSSPAMSCDI-UHFFFAOYSA-N -1 3 241.262 2.285 20 0 BEADHM Cc1cccc(CN(C)CCCC(=O)[O-])c1F ZINC000384687048 367716661 /nfs/dbraw/zinc/71/66/61/367716661.db2.gz VYZOIRAXDXMABU-UHFFFAOYSA-N -1 3 239.290 2.431 20 0 BEADHM O=C([O-])c1cnccc1N1CC[C@H](CC2CC2)C1 ZINC000581946439 367974379 /nfs/dbraw/zinc/97/43/79/367974379.db2.gz NFSVCAUQQWNHFV-LLVKDONJSA-N -1 3 246.310 2.406 20 0 BEADHM CCCCCC(=O)NN=c1nc(C)cc(C)[n-]1 ZINC000029605095 368243773 /nfs/dbraw/zinc/24/37/73/368243773.db2.gz ZWKLTAPQZNGMTR-UHFFFAOYSA-N -1 3 236.319 2.117 20 0 BEADHM O=C(Nc1ccccc1[O-])c1cc(C2CC2)[nH]n1 ZINC000043729445 368406184 /nfs/dbraw/zinc/40/61/84/368406184.db2.gz PESWEIXJOAVETC-UHFFFAOYSA-N -1 3 243.266 2.245 20 0 BEADHM CCO[C@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000065516194 368623416 /nfs/dbraw/zinc/62/34/16/368623416.db2.gz DNTDJOMSDDKWFU-SSDOTTSWSA-N -1 3 243.690 2.409 20 0 BEADHM CCCN(C)Cc1ccsc1C(=O)[O-] ZINC000082501624 368689794 /nfs/dbraw/zinc/68/97/94/368689794.db2.gz WVFAZLLFTQRNJT-UHFFFAOYSA-N -1 3 213.302 2.288 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc[nH]n1 ZINC000067139071 368679891 /nfs/dbraw/zinc/67/98/91/368679891.db2.gz VITDPRJPSXGSFO-UHFFFAOYSA-N -1 3 237.646 2.021 20 0 BEADHM CC1(C)CCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000087256541 368891598 /nfs/dbraw/zinc/89/15/98/368891598.db2.gz RUZOONOCEKWVHW-UHFFFAOYSA-N -1 3 223.272 2.210 20 0 BEADHM Cc1ccnc(C[S@@](=O)c2ccc([O-])cc2)c1 ZINC000616193332 369023342 /nfs/dbraw/zinc/02/33/42/369023342.db2.gz VZMDPXKYJMXJMQ-QGZVFWFLSA-N -1 3 247.319 2.403 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1C2CCC1CC2 ZINC000623671524 369302011 /nfs/dbraw/zinc/30/20/11/369302011.db2.gz ICGURYJREOBCMM-UHFFFAOYSA-N -1 3 231.295 2.468 20 0 BEADHM C[C@H](NCc1cc([O-])cc(F)c1)c1ccn(C)n1 ZINC000459757244 203358877 /nfs/dbraw/zinc/35/88/77/203358877.db2.gz PULFDPHMLGSVQZ-VIFPVBQESA-N -1 3 249.289 2.116 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@@H]2C)c([O-])c1C ZINC000620213100 369772238 /nfs/dbraw/zinc/77/22/38/369772238.db2.gz YVTGOGNQAFYCGF-VIFPVBQESA-N -1 3 219.284 2.243 20 0 BEADHM CCc1cc(NC(=O)c2cc(C)ccc2[O-])n[nH]1 ZINC000076428223 370287569 /nfs/dbraw/zinc/28/75/69/370287569.db2.gz WPJJCECWZGNBSG-UHFFFAOYSA-N -1 3 245.282 2.238 20 0 BEADHM CC[C@@H](C)[C@H](C)NC(=O)c1cc(F)c[n-]c1=O ZINC000621720952 370470861 /nfs/dbraw/zinc/47/08/61/370470861.db2.gz WUZSUWVDWRNRCO-SFYZADRCSA-N -1 3 240.278 2.091 20 0 BEADHM Cc1ccc([O-])c(CN2CC(CC3CC3)C2)n1 ZINC000621740217 370498255 /nfs/dbraw/zinc/49/82/55/370498255.db2.gz DJEQJSJZVFLJAS-UHFFFAOYSA-N -1 3 232.327 2.328 20 0 BEADHM CC(C)=CCCNC(=O)c1cc(F)c[n-]c1=O ZINC000621971018 370628234 /nfs/dbraw/zinc/62/82/34/370628234.db2.gz ZJENYQMKDYPYCU-UHFFFAOYSA-N -1 3 238.262 2.012 20 0 BEADHM Cc1nc(C)c(C(=O)[N-]c2cnoc2)s1 ZINC000623941820 371169283 /nfs/dbraw/zinc/16/92/83/371169283.db2.gz ICWZZNAGQPFJLK-UHFFFAOYSA-N -1 3 223.257 2.000 20 0 BEADHM CCO[C@@H](C(=O)Nc1ccccc1[O-])C1CC1 ZINC000624488668 371521685 /nfs/dbraw/zinc/52/16/85/371521685.db2.gz ABYQHPUFJDUPJS-GFCCVEGCSA-N -1 3 235.283 2.146 20 0 BEADHM CC[C@H](NC(=O)c1c(C)cccc1[O-])C(F)F ZINC000627563898 371711339 /nfs/dbraw/zinc/71/13/39/371711339.db2.gz WHPJIXUVEJWSSS-QMMMGPOBSA-N -1 3 243.253 2.474 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H]1C1CC1 ZINC000627589304 371764621 /nfs/dbraw/zinc/76/46/21/371764621.db2.gz KEAZVGPUHRZWTG-LLVKDONJSA-N -1 3 231.295 2.325 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@H]1C(C)C ZINC000627720088 371887653 /nfs/dbraw/zinc/88/76/53/371887653.db2.gz SKMDFOMYBPXELG-WDEREUQCSA-N -1 3 233.311 2.475 20 0 BEADHM COc1ccc(C(=O)NC[C@H](C)C2CC2)c([O-])c1 ZINC000132752384 371914437 /nfs/dbraw/zinc/91/44/37/371914437.db2.gz ZLVPTQCHTBBNQJ-VIFPVBQESA-N -1 3 249.310 2.177 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000632265256 372845182 /nfs/dbraw/zinc/84/51/82/372845182.db2.gz RBWBSGZMFXVNSB-OUAUKWLOSA-N -1 3 249.310 2.453 20 0 BEADHM O=C(C[C@@H]1CCCC[C@H]1O)Nc1ccccc1[O-] ZINC000280826363 182018187 /nfs/dbraw/zinc/01/81/87/182018187.db2.gz SVNPIYKLHAKNEL-CMPLNLGQSA-N -1 3 249.310 2.272 20 0 BEADHM O=C(Cc1ccc(F)cc1)Nc1ncccc1[O-] ZINC000048389951 182036838 /nfs/dbraw/zinc/03/68/38/182036838.db2.gz UKPGRAUZYVTZSQ-UHFFFAOYSA-N -1 3 246.241 2.108 20 0 BEADHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cccs1 ZINC000172666114 373039114 /nfs/dbraw/zinc/03/91/14/373039114.db2.gz ZGXDJGOPDSVFJC-VIFPVBQESA-N -1 3 247.385 2.319 20 0 BEADHM O=C(NC12CCC(CC1)C2)c1ccc(O)cc1[O-] ZINC000378649422 182092284 /nfs/dbraw/zinc/09/22/84/182092284.db2.gz MDLVNFSUJPBMCD-UHFFFAOYSA-N -1 3 247.294 2.160 20 0 BEADHM O=C(NC1CCCCC1)c1c([O-])cccc1O ZINC000228854037 182112437 /nfs/dbraw/zinc/11/24/37/182112437.db2.gz LFTFZXNYIJJIQO-UHFFFAOYSA-N -1 3 235.283 2.160 20 0 BEADHM O=C(NCC1CCCC1)c1ccc(O)cc1[O-] ZINC000221304315 182145715 /nfs/dbraw/zinc/14/57/15/182145715.db2.gz PKOUGSOXHARVFQ-UHFFFAOYSA-N -1 3 235.283 2.018 20 0 BEADHM O=C(NCC[C@@H]1CCCCO1)c1cccc([O-])c1 ZINC000183226673 182198854 /nfs/dbraw/zinc/19/88/54/182198854.db2.gz AYAGMASMVWVQPU-ZDUSSCGKSA-N -1 3 249.310 2.081 20 0 BEADHM O=C(NOCC1CC1)c1cc([O-])ccc1Cl ZINC000293761241 182282378 /nfs/dbraw/zinc/28/23/78/182282378.db2.gz LROIQVLOEGECOR-UHFFFAOYSA-N -1 3 241.674 2.117 20 0 BEADHM O=C([N-]OCCC(F)(F)F)Nc1ccncc1 ZINC000122433636 182282686 /nfs/dbraw/zinc/28/26/86/182282686.db2.gz AEBBAGGFSJCIIN-UHFFFAOYSA-N -1 3 249.192 2.087 20 0 BEADHM O=C([N-]c1cc(F)c(F)cc1F)c1ccon1 ZINC000104480274 182350235 /nfs/dbraw/zinc/35/02/35/182350235.db2.gz BISOCSLDFVXLHL-UHFFFAOYSA-N -1 3 242.156 2.344 20 0 BEADHM O=C([N-]c1ccno1)Nc1ccccc1 ZINC000000122410 182375679 /nfs/dbraw/zinc/37/56/79/182375679.db2.gz VJPYKJWBSKLGCW-UHFFFAOYSA-N -1 3 203.201 2.319 20 0 BEADHM O=C([O-])C1(NCc2cc3cc(F)ccc3o2)CC1 ZINC000340671616 182423581 /nfs/dbraw/zinc/42/35/81/182423581.db2.gz DSDWEOLNFXWOTQ-UHFFFAOYSA-N -1 3 249.241 2.279 20 0 BEADHM CCCN(CC(=O)[O-])Cc1cccc(F)c1F ZINC000038021983 169098659 /nfs/dbraw/zinc/09/86/59/169098659.db2.gz VBLGDJXFFSTEFF-UHFFFAOYSA-N -1 3 243.253 2.261 20 0 BEADHM CCCN(CC)C(=O)c1ccc(OC)cc1[O-] ZINC000037023387 169118863 /nfs/dbraw/zinc/11/88/63/169118863.db2.gz UJYKANDJLIOGFA-UHFFFAOYSA-N -1 3 237.299 2.273 20 0 BEADHM [O-]c1cccc(CNCC2(O)CCC2)c1Cl ZINC000328505760 183288791 /nfs/dbraw/zinc/28/87/91/183288791.db2.gz ZQZIRSSQXIABDM-UHFFFAOYSA-N -1 3 241.718 2.050 20 0 BEADHM CCCOc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000070263376 169314697 /nfs/dbraw/zinc/31/46/97/169314697.db2.gz WTAMOFLZZPPATG-UHFFFAOYSA-N -1 3 243.328 2.155 20 0 BEADHM CCCSc1n[n-]c(-c2ccccn2)n1 ZINC000117114313 169341377 /nfs/dbraw/zinc/34/13/77/169341377.db2.gz YWWUBNDBEHFDGU-UHFFFAOYSA-N -1 3 220.301 2.369 20 0 BEADHM CCC[C@@H](C)CC(=O)Nc1nnc(SC)[n-]1 ZINC000263868021 169358168 /nfs/dbraw/zinc/35/81/68/169358168.db2.gz KTIZTENZSPJXIX-SSDOTTSWSA-N -1 3 242.348 2.291 20 0 BEADHM CCC[C@@H](C)CC(=O)Nc1nc(SC)n[n-]1 ZINC000263868021 169358170 /nfs/dbraw/zinc/35/81/70/169358170.db2.gz KTIZTENZSPJXIX-SSDOTTSWSA-N -1 3 242.348 2.291 20 0 BEADHM CCC[C@@H](C)CC(=O)Nc1n[n-]c(SC)n1 ZINC000263868021 169358171 /nfs/dbraw/zinc/35/81/71/169358171.db2.gz KTIZTENZSPJXIX-SSDOTTSWSA-N -1 3 242.348 2.291 20 0 BEADHM CCC[C@@H](N)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000237008078 169391686 /nfs/dbraw/zinc/39/16/86/169391686.db2.gz VAHFCMONZZKVBQ-MRVPVSSYSA-N -1 3 242.706 2.112 20 0 BEADHM Cc1cc(C(=O)NC[C@H]2CC2(C)C)ccc1[O-] ZINC000227028725 134373808 /nfs/dbraw/zinc/37/38/08/134373808.db2.gz SCDVJEYMCREIMI-LLVKDONJSA-N -1 3 233.311 2.477 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2C3CCC2CC3)n1 ZINC000560017694 383846032 /nfs/dbraw/zinc/84/60/32/383846032.db2.gz FUCUTYOHVCBFAQ-KPPDAEKUSA-N -1 3 233.315 2.178 20 0 BEADHM CC(C)[C@@H](C)CNC(=O)c1cccc([O-])c1 ZINC000081066944 383993021 /nfs/dbraw/zinc/99/30/21/383993021.db2.gz SXSGVWDTPDQANO-JTQLQIEISA-N -1 3 221.300 2.414 20 0 BEADHM C[C@@H](C(=O)[O-])N1CCc2c(Cl)cccc2C1 ZINC000082791318 384266369 /nfs/dbraw/zinc/26/63/69/384266369.db2.gz WRFRTFUGGYJINC-QMMMGPOBSA-N -1 3 239.702 2.171 20 0 BEADHM O=C([O-])CCN1CCc2ccc(Cl)cc2C1 ZINC000082791312 384267904 /nfs/dbraw/zinc/26/79/04/384267904.db2.gz SLWHFVKACLJRLQ-UHFFFAOYSA-N -1 3 239.702 2.173 20 0 BEADHM C[C@H]1CCCCN1C(=O)/C=C/c1cncc([O-])c1 ZINC000179386510 384286279 /nfs/dbraw/zinc/28/62/79/384286279.db2.gz DKJSUXTYHONXEZ-QRGHLMKCSA-N -1 3 246.310 2.201 20 0 BEADHM CCO[C@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000560821767 384373555 /nfs/dbraw/zinc/37/35/55/384373555.db2.gz QLMAJWKIDGDBHG-SSDOTTSWSA-N -1 3 243.690 2.409 20 0 BEADHM CO[N-]C(=O)CCCOc1ccc(C)cc1C ZINC000120574412 384361732 /nfs/dbraw/zinc/36/17/32/384361732.db2.gz HMBKNBVNVHAAGJ-UHFFFAOYSA-N -1 3 237.299 2.140 20 0 BEADHM CCCc1ccccc1NC(=O)c1nc[n-]n1 ZINC000095041101 384330998 /nfs/dbraw/zinc/33/09/98/384330998.db2.gz IHKXSZFFBXMKKT-UHFFFAOYSA-N -1 3 230.271 2.010 20 0 BEADHM CCC1(NC(=O)c2cc(OC)ccc2[O-])CCC1 ZINC000135590372 384452959 /nfs/dbraw/zinc/45/29/59/384452959.db2.gz XCNCANSQLHHNCO-UHFFFAOYSA-N -1 3 249.310 2.463 20 0 BEADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1C ZINC000051361435 384455173 /nfs/dbraw/zinc/45/51/73/384455173.db2.gz NTYIZFWMJIHRIY-QMMMGPOBSA-N -1 3 223.272 2.271 20 0 BEADHM O=C(CCc1ccncc1)[N-]OC1CCCC1 ZINC000135689348 384462124 /nfs/dbraw/zinc/46/21/24/384462124.db2.gz ZPTHIPPVJIDPID-UHFFFAOYSA-N -1 3 234.299 2.005 20 0 BEADHM CCC(CC)NC(=O)/C=C\c1cncc([O-])c1 ZINC000255304021 384477407 /nfs/dbraw/zinc/47/74/07/384477407.db2.gz IFYLOPKCCSOWBE-WAYWQWQTSA-N -1 3 234.299 2.105 20 0 BEADHM C[C@H]1C[C@@H](NCc2cccc([O-])c2Cl)CO1 ZINC000335664622 384478884 /nfs/dbraw/zinc/47/88/84/384478884.db2.gz UVQJHHDZKSLWML-WCBMZHEXSA-N -1 3 241.718 2.313 20 0 BEADHM CC1(C)CCN(CC(=O)Nc2ccccc2[O-])C1 ZINC000561090544 384486740 /nfs/dbraw/zinc/48/67/40/384486740.db2.gz CLEOBSLLJZGUFQ-UHFFFAOYSA-N -1 3 248.326 2.063 20 0 BEADHM O=C(CC1CCC1)Nc1nnc(-c2ccco2)[n-]1 ZINC000079988446 384523869 /nfs/dbraw/zinc/52/38/69/384523869.db2.gz MAJXFNDDPSWTCD-UHFFFAOYSA-N -1 3 246.270 2.193 20 0 BEADHM O=C(CC1CCC1)Nc1nc(-c2ccco2)n[n-]1 ZINC000079988446 384523873 /nfs/dbraw/zinc/52/38/73/384523873.db2.gz MAJXFNDDPSWTCD-UHFFFAOYSA-N -1 3 246.270 2.193 20 0 BEADHM O=C(CC1CCC1)Nc1n[n-]c(-c2ccco2)n1 ZINC000079988446 384523877 /nfs/dbraw/zinc/52/38/77/384523877.db2.gz MAJXFNDDPSWTCD-UHFFFAOYSA-N -1 3 246.270 2.193 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCC3(CCC3)C2)n1 ZINC000123348932 384551945 /nfs/dbraw/zinc/55/19/45/384551945.db2.gz YTYUWUBDGZRVMG-UHFFFAOYSA-N -1 3 247.342 2.121 20 0 BEADHM CCC1(CNC(=O)c2cc(OC)ccc2[O-])CC1 ZINC000176088589 384552956 /nfs/dbraw/zinc/55/29/56/384552956.db2.gz WHIOCOCJTOZTNI-UHFFFAOYSA-N -1 3 249.310 2.321 20 0 BEADHM CCCN(C)C(=O)c1cccc(CC)c1[O-] ZINC000531116550 384539596 /nfs/dbraw/zinc/53/95/96/384539596.db2.gz QCMMKVCUMLNLKA-UHFFFAOYSA-N -1 3 221.300 2.437 20 0 BEADHM COc1ccccc1NC([O-])=NOC(C)C ZINC000294202670 384570787 /nfs/dbraw/zinc/57/07/87/384570787.db2.gz TUMIJILOOCUUQZ-UHFFFAOYSA-N -1 3 224.260 2.157 20 0 BEADHM COc1ccccc1NC(=O)[N-]OC(C)C ZINC000294202670 384570794 /nfs/dbraw/zinc/57/07/94/384570794.db2.gz TUMIJILOOCUUQZ-UHFFFAOYSA-N -1 3 224.260 2.157 20 0 BEADHM O=C(c1cccc([O-])c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000123701442 384580328 /nfs/dbraw/zinc/58/03/28/384580328.db2.gz FWVMPAHQNAAYHR-TXEJJXNPSA-N -1 3 231.295 2.264 20 0 BEADHM CC(C)[C@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000172414974 384584475 /nfs/dbraw/zinc/58/44/75/384584475.db2.gz UMOQHIAQGNFMGP-VIFPVBQESA-N -1 3 239.290 2.440 20 0 BEADHM O=C(NC(C1CC1)C1CC1)c1ccccc1[O-] ZINC000042237525 384634923 /nfs/dbraw/zinc/63/49/23/384634923.db2.gz OOFZLOAKOLBOIS-UHFFFAOYSA-N -1 3 231.295 2.311 20 0 BEADHM CC[C@@H](C)N(C)C(=O)c1cc(OC)ccc1[O-] ZINC000055468410 384739789 /nfs/dbraw/zinc/73/97/89/384739789.db2.gz AVPLKPGLFXDXPI-SECBINFHSA-N -1 3 237.299 2.271 20 0 BEADHM Cc1ccc(NC(=O)C[C@H]2CCOC2)c([O-])c1 ZINC000336028429 384794660 /nfs/dbraw/zinc/79/46/60/384794660.db2.gz KKLJFMVIIKMFML-SNVBAGLBSA-N -1 3 235.283 2.066 20 0 BEADHM C[C@@]1(C(=O)Nc2ccc([O-])cc2F)C[C@H]1F ZINC000335652447 384805712 /nfs/dbraw/zinc/80/57/12/384805712.db2.gz DGRWSNKTDZCTBB-MWLCHTKSSA-N -1 3 227.210 2.218 20 0 BEADHM C[C@H]1C[C@H](NC(=O)c2ccccc2[O-])CS1 ZINC000335203682 384851391 /nfs/dbraw/zinc/85/13/91/384851391.db2.gz WFRBOAHTSHSEKP-IUCAKERBSA-N -1 3 237.324 2.016 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCCC[C@@H](C)C2)n1 ZINC000187937971 384997699 /nfs/dbraw/zinc/99/76/99/384997699.db2.gz AYFCRSWRIIBTMV-LLVKDONJSA-N -1 3 249.358 2.367 20 0 BEADHM Cc1cc(C(=O)N(C)C(C)C)ccc1[O-] ZINC000202526551 385001385 /nfs/dbraw/zinc/00/13/85/385001385.db2.gz ICMLDUXAATVIOI-UHFFFAOYSA-N -1 3 207.273 2.181 20 0 BEADHM CCCC(C)(C)[N-]S(=O)(=O)c1ccco1 ZINC000188647381 385075596 /nfs/dbraw/zinc/07/55/96/385075596.db2.gz FGGGWKXGOFOIBI-UHFFFAOYSA-N -1 3 231.317 2.137 20 0 BEADHM CC(C)C(C)(C)C[N-]S(=O)(=O)c1ccco1 ZINC000189019365 385113157 /nfs/dbraw/zinc/11/31/57/385113157.db2.gz LQNOGFSPZHQFSC-UHFFFAOYSA-N -1 3 245.344 2.240 20 0 BEADHM CCCCNC(=O)c1cccc(C)c1[O-] ZINC000019838385 385114329 /nfs/dbraw/zinc/11/43/29/385114329.db2.gz ZAOIFLQQZWEKND-UHFFFAOYSA-N -1 3 207.273 2.231 20 0 BEADHM O=[S@](C[C@@H]1CCCCO1)c1ccc([O-])cc1 ZINC000176437628 385085484 /nfs/dbraw/zinc/08/54/84/385085484.db2.gz RWCFBUGTKIRUGG-MEDUHNTESA-N -1 3 240.324 2.069 20 0 BEADHM CCc1cc(C(=O)N2CC(C3CC3)C2)ccc1[O-] ZINC000644684854 385093025 /nfs/dbraw/zinc/09/30/25/385093025.db2.gz ZUNNFCSGEQJQAR-UHFFFAOYSA-N -1 3 245.322 2.437 20 0 BEADHM Cc1ccc(NC(=O)C2(O)CCCCC2)c([O-])c1 ZINC000129937510 385201765 /nfs/dbraw/zinc/20/17/65/385201765.db2.gz MXTFLZRHDQYFEW-UHFFFAOYSA-N -1 3 249.310 2.334 20 0 BEADHM CC(C)(C)/C=C/C(=O)Nc1ncccc1[O-] ZINC000109983954 385200273 /nfs/dbraw/zinc/20/02/73/385200273.db2.gz WUTBOLNJDKGYFL-VOTSOKGWSA-N -1 3 220.272 2.328 20 0 BEADHM CC(=O)[N-]OCc1ccc(OC(F)(F)F)cc1 ZINC000176861622 385154809 /nfs/dbraw/zinc/15/48/09/385154809.db2.gz AIZCLKGKGOLBBU-UHFFFAOYSA-N -1 3 249.188 2.153 20 0 BEADHM CCC1(C)CN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000291032301 385154804 /nfs/dbraw/zinc/15/48/04/385154804.db2.gz HADJJEGIXACSFM-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM CC(C)CO[N-]C(=O)Cc1cc(F)ccc1F ZINC000153290988 385248490 /nfs/dbraw/zinc/24/84/90/385248490.db2.gz LVDJIHXYUWUKQC-UHFFFAOYSA-N -1 3 243.253 2.211 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CC23CC3)c1 ZINC000424972450 385266811 /nfs/dbraw/zinc/26/68/11/385266811.db2.gz PYSAQZHSSYHKLV-GFCCVEGCSA-N -1 3 231.295 2.237 20 0 BEADHM CN(C(=O)/C=C/c1cncc([O-])c1)C1CCCC1 ZINC000181859595 385269360 /nfs/dbraw/zinc/26/93/60/385269360.db2.gz FXGXDANQAWENQV-VOTSOKGWSA-N -1 3 246.310 2.201 20 0 BEADHM CCO[N-]C(=O)CCc1ccc(OCC)cc1 ZINC000065627097 385333313 /nfs/dbraw/zinc/33/33/13/385333313.db2.gz QLKICWODDJCDET-UHFFFAOYSA-N -1 3 237.299 2.086 20 0 BEADHM Cc1cc(C(=O)[N-]c2cc(Cl)ccn2)on1 ZINC000114121208 385343241 /nfs/dbraw/zinc/34/32/41/385343241.db2.gz ABAFTBUXYRUTDP-UHFFFAOYSA-N -1 3 237.646 2.284 20 0 BEADHM CC(C)C[C@@H](C)Cn1cc(Cl)c(=O)[n-]c1=O ZINC000281024821 385389805 /nfs/dbraw/zinc/38/98/05/385389805.db2.gz PVJBZBUXXXTHQO-MRVPVSSYSA-N -1 3 244.722 2.285 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@H]2C=CCCC2)c1 ZINC000158245430 385370296 /nfs/dbraw/zinc/37/02/96/385370296.db2.gz OKIQHOOUCBGZJU-JTQLQIEISA-N -1 3 247.294 2.239 20 0 BEADHM CCCC[N-]S(=O)(=O)c1cccc(C)c1F ZINC000181171567 385401168 /nfs/dbraw/zinc/40/11/68/385401168.db2.gz HSDUBTOPZMKSGO-UHFFFAOYSA-N -1 3 245.319 2.213 20 0 BEADHM COC(=O)c1cnc(SCC2CCC2)[n-]1 ZINC000193538835 385401344 /nfs/dbraw/zinc/40/13/44/385401344.db2.gz QUPWDXTYHQXZCN-UHFFFAOYSA-N -1 3 226.301 2.089 20 0 BEADHM O=C(/C=C\C1CC1)Nc1ccc([O-])cc1F ZINC000492705905 385420786 /nfs/dbraw/zinc/42/07/86/385420786.db2.gz MSWIWRIXAYBQTG-UTCJRWHESA-N -1 3 221.231 2.436 20 0 BEADHM CC[C@H](C)[C@@H](C)NC(=O)/C=C/c1cncc([O-])c1 ZINC000181924999 385450560 /nfs/dbraw/zinc/45/05/60/385450560.db2.gz DSCOJGXMZHLCLU-PFDYWKIBSA-N -1 3 248.326 2.351 20 0 BEADHM CCC1(NC(=O)/C=C/c2cncc([O-])c2)CCC1 ZINC000182076325 385455708 /nfs/dbraw/zinc/45/57/08/385455708.db2.gz UXJWYZWANMXQRL-SNAWJCMRSA-N -1 3 246.310 2.249 20 0 BEADHM CO[N-]C(=O)C[C@@H]1CCCc2ccccc21 ZINC000170977318 385461461 /nfs/dbraw/zinc/46/14/61/385461461.db2.gz XLLOMCZPGGLMFS-NSHDSACASA-N -1 3 219.284 2.174 20 0 BEADHM Cc1ccc(NC(=O)[C@@](C)(O)C2CCC2)c([O-])c1 ZINC000362375668 385529200 /nfs/dbraw/zinc/52/92/00/385529200.db2.gz LDDJSTVEPWCDFR-AWEZNQCLSA-N -1 3 249.310 2.190 20 0 BEADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])C1CCCC1 ZINC000172097300 385548645 /nfs/dbraw/zinc/54/86/45/385548645.db2.gz AKKUOWJYDUKVDM-VIFPVBQESA-N -1 3 249.310 2.406 20 0 BEADHM CC(=O)[N-]O[C@@H]1CCCc2ccc(F)cc21 ZINC000180807783 385548040 /nfs/dbraw/zinc/54/80/40/385548040.db2.gz XWQRKPFHEBZRCI-GFCCVEGCSA-N -1 3 223.247 2.271 20 0 BEADHM Cc1nc(C)c(NC([O-])=NOCC(C)C)s1 ZINC000269714279 385630038 /nfs/dbraw/zinc/63/00/38/385630038.db2.gz SYCIZOBCYFETCH-UHFFFAOYSA-N -1 3 243.332 2.469 20 0 BEADHM Cc1nc(C)c(NC(=O)[N-]OCC(C)C)s1 ZINC000269714279 385630043 /nfs/dbraw/zinc/63/00/43/385630043.db2.gz SYCIZOBCYFETCH-UHFFFAOYSA-N -1 3 243.332 2.469 20 0 BEADHM CC[C@](C)(CO)NCc1cccc([O-])c1Cl ZINC000293536582 385630965 /nfs/dbraw/zinc/63/09/65/385630965.db2.gz JVUFHLLGGRQLEG-GFCCVEGCSA-N -1 3 243.734 2.296 20 0 BEADHM CCC1(CNC(=O)c2cccc([O-])c2)CC1 ZINC000182566692 385684761 /nfs/dbraw/zinc/68/47/61/385684761.db2.gz MCUSGARDYBMWRZ-UHFFFAOYSA-N -1 3 219.284 2.312 20 0 BEADHM Cc1ccc(NC(=O)CCOCC2CC2)c([O-])c1 ZINC000340034263 385692370 /nfs/dbraw/zinc/69/23/70/385692370.db2.gz PZLZPALTJZPOJD-UHFFFAOYSA-N -1 3 249.310 2.456 20 0 BEADHM COc1cc(C(=O)N2CCC=C(C)C2)ccc1[O-] ZINC000281767250 385701539 /nfs/dbraw/zinc/70/15/39/385701539.db2.gz JHIBYCJBEVSBQP-UHFFFAOYSA-N -1 3 247.294 2.193 20 0 BEADHM CCO[N-]C(=O)Nc1cc(C)ccc1F ZINC000182886433 385715134 /nfs/dbraw/zinc/71/51/34/385715134.db2.gz RWUMNKNYFTUQFR-UHFFFAOYSA-N -1 3 212.224 2.207 20 0 BEADHM COCCO[N-]C(=O)/C=C/c1cc(C)cc(C)c1 ZINC000492884771 533145789 /nfs/dbraw/zinc/14/57/89/533145789.db2.gz CBFJRWLCVUXXAP-SNAWJCMRSA-N -1 3 249.310 2.011 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000182918775 385720659 /nfs/dbraw/zinc/72/06/59/385720659.db2.gz NPIDMVKSYQAPER-UHFFFAOYSA-N -1 3 237.303 2.134 20 0 BEADHM Cc1cc(C(=O)N2C[C@H](C)[C@H]2C)ccc1[O-] ZINC000294090953 385803692 /nfs/dbraw/zinc/80/36/92/385803692.db2.gz MHQHHWFBZNFADE-VHSXEESVSA-N -1 3 219.284 2.181 20 0 BEADHM CC(F)(F)C(=O)[N-]Cc1ccccc1F ZINC000284237375 385858159 /nfs/dbraw/zinc/85/81/59/385858159.db2.gz ZKCMLRKXTMELKY-UHFFFAOYSA-N -1 3 217.190 2.097 20 0 BEADHM Cc1cc(C(=O)N[C@H](C)C(F)(F)F)ccc1[O-] ZINC000291889598 385791867 /nfs/dbraw/zinc/79/18/67/385791867.db2.gz YHERIJIXENHGDI-SSDOTTSWSA-N -1 3 247.216 2.381 20 0 BEADHM COc1cc(C(=O)N(C(C)C)C2CC2)ccc1[O-] ZINC000272572966 385912251 /nfs/dbraw/zinc/91/22/51/385912251.db2.gz CWHPUONIMGEZOE-UHFFFAOYSA-N -1 3 249.310 2.414 20 0 BEADHM COC(=O)c1cnc(SCCCCCF)[n-]1 ZINC000284355154 385863997 /nfs/dbraw/zinc/86/39/97/385863997.db2.gz WIFXNWIYBKFJSF-UHFFFAOYSA-N -1 3 246.307 2.428 20 0 BEADHM C[C@H](CC1CC1)[N-]S(=O)(=O)c1cccs1 ZINC000112707923 385865283 /nfs/dbraw/zinc/86/52/83/385865283.db2.gz HAZANQIPXOENHV-MRVPVSSYSA-N -1 3 245.369 2.215 20 0 BEADHM Cc1ccc(NC(=O)[C@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000272108669 385875841 /nfs/dbraw/zinc/87/58/41/385875841.db2.gz QYUJVNABLXULHW-MNOVXSKESA-N -1 3 249.310 2.454 20 0 BEADHM NC1(c2noc(-c3ccccc3[O-])n2)CCCC1 ZINC000414622081 385980472 /nfs/dbraw/zinc/98/04/72/385980472.db2.gz RZKVZESRGLQBQZ-UHFFFAOYSA-N -1 3 245.282 2.170 20 0 BEADHM CCC[C@@H]1CN(C(=O)c2cccc([O-])c2)CCO1 ZINC000272934412 385952494 /nfs/dbraw/zinc/95/24/94/385952494.db2.gz GQPMFVXJSAQDIF-CYBMUJFWSA-N -1 3 249.310 2.033 20 0 BEADHM CCC[C@H](OC)C(=O)[N-]c1onc(C)c1C ZINC000295121504 385973427 /nfs/dbraw/zinc/97/34/27/385973427.db2.gz ZNVXIZVXGFIVES-VIFPVBQESA-N -1 3 226.276 2.045 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CC2(C)C)n1 ZINC000273575060 386014483 /nfs/dbraw/zinc/01/44/83/386014483.db2.gz YKPXEIJUNZWDRO-QMMMGPOBSA-N -1 3 220.272 2.080 20 0 BEADHM CO[C@H](CC(C)C)C(=O)[N-]c1onc(C)c1C ZINC000415230294 386021559 /nfs/dbraw/zinc/02/15/59/386021559.db2.gz PIHDSLSUHMTQEJ-SNVBAGLBSA-N -1 3 240.303 2.291 20 0 BEADHM CCC[C@@H](OC)C(=O)Nc1cc(F)ccc1[O-] ZINC000295427359 386029670 /nfs/dbraw/zinc/02/96/70/386029670.db2.gz WIYMSDDEYSWYNX-LLVKDONJSA-N -1 3 241.262 2.285 20 0 BEADHM CCC[C@H]([N-]c1nc2cc(C)ccc2o1)C(N)=O ZINC000286386051 386031972 /nfs/dbraw/zinc/03/19/72/386031972.db2.gz MGVWHCFRFJHKEB-VIFPVBQESA-N -1 3 247.298 2.202 20 0 BEADHM CCc1ccc(C(=O)NOC(C)C)c([O-])c1 ZINC000295560203 386052477 /nfs/dbraw/zinc/05/24/77/386052477.db2.gz MWSQUDNILRHCEB-UHFFFAOYSA-N -1 3 223.272 2.024 20 0 BEADHM O=C(c1ccccc1[O-])N1CCC(CF)CC1 ZINC000295961074 386115319 /nfs/dbraw/zinc/11/53/19/386115319.db2.gz NAEZMHILMHIZNL-UHFFFAOYSA-N -1 3 237.274 2.214 20 0 BEADHM O=C(c1c([O-])cccc1O)N1CCCC2(CC2)C1 ZINC000274553355 386119010 /nfs/dbraw/zinc/11/90/10/386119010.db2.gz ADMGEWHMBVNVQQ-UHFFFAOYSA-N -1 3 247.294 2.114 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CC(C3CC3)C2)c1 ZINC000643289909 386060970 /nfs/dbraw/zinc/06/09/70/386060970.db2.gz AIDGEIMYDSNRML-UHFFFAOYSA-N -1 3 231.295 2.183 20 0 BEADHM Cc1nc(Cl)ccc1CC(=O)[N-]OC(C)C ZINC000295739140 386078616 /nfs/dbraw/zinc/07/86/16/386078616.db2.gz SLHSXIVKDQXKJH-UHFFFAOYSA-N -1 3 242.706 2.042 20 0 BEADHM CCc1ccc(/C=C/C(=O)[N-]OC(C)C)o1 ZINC000295743516 386079889 /nfs/dbraw/zinc/07/98/89/386079889.db2.gz TWWWYRMMZZBVCM-BQYQJAHWSA-N -1 3 223.272 2.311 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@H]2C[C@@H]2C(F)F)c1 ZINC000334470657 386144708 /nfs/dbraw/zinc/14/47/08/386144708.db2.gz IGJOVFIPFMBPKF-CBAPKCEASA-N -1 3 241.237 2.084 20 0 BEADHM Cc1cc(C)nc(NC([O-])=NOC(C)C)c1 ZINC000296282342 386159903 /nfs/dbraw/zinc/15/99/03/386159903.db2.gz JAPJEMWSNUVBQI-UHFFFAOYSA-N -1 3 223.276 2.160 20 0 BEADHM Cc1cc(C)nc(NC(=O)[N-]OC(C)C)c1 ZINC000296282342 386159909 /nfs/dbraw/zinc/15/99/09/386159909.db2.gz JAPJEMWSNUVBQI-UHFFFAOYSA-N -1 3 223.276 2.160 20 0 BEADHM Cc1ncoc1C(=O)Nc1cccc([O-])c1F ZINC000334466795 386128756 /nfs/dbraw/zinc/12/87/56/386128756.db2.gz VTNYLUTWDOEMRN-UHFFFAOYSA-N -1 3 236.202 2.080 20 0 BEADHM CC[C@@H](C)CON=C([O-])Nc1ccc(F)cn1 ZINC000297006473 386217949 /nfs/dbraw/zinc/21/79/49/386217949.db2.gz ZHYFYGMZJLKBQQ-MRVPVSSYSA-N -1 3 241.266 2.320 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(F)cn1 ZINC000297006473 386217956 /nfs/dbraw/zinc/21/79/56/386217956.db2.gz ZHYFYGMZJLKBQQ-MRVPVSSYSA-N -1 3 241.266 2.320 20 0 BEADHM CCc1ccc(C(=O)NC[C@H]2CC23CC3)c([O-])c1 ZINC000416255362 386245313 /nfs/dbraw/zinc/24/53/13/386245313.db2.gz IGEKVFMRSNMXKO-LLVKDONJSA-N -1 3 245.322 2.485 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2cccnc2)n1 ZINC000339117072 386257692 /nfs/dbraw/zinc/25/76/92/386257692.db2.gz ZSBXGHLDVRNSSK-PLNGDYQASA-N -1 3 213.240 2.056 20 0 BEADHM Cc1ccc2nccc(N[C@H](C)CC(=O)[O-])c2c1 ZINC000416427749 386303747 /nfs/dbraw/zinc/30/37/47/386303747.db2.gz QVVJXSFXPRGPMN-SNVBAGLBSA-N -1 3 244.294 2.240 20 0 BEADHM Cc1ccc2nccc(N[C@@H](C)CC(=O)[O-])c2c1 ZINC000416427748 386304453 /nfs/dbraw/zinc/30/44/53/386304453.db2.gz QVVJXSFXPRGPMN-JTQLQIEISA-N -1 3 244.294 2.240 20 0 BEADHM O=[S@](CC[C@H]1CCCO1)c1cccc([O-])c1 ZINC000276400384 386318199 /nfs/dbraw/zinc/31/81/99/386318199.db2.gz UIUNSQDFNZNKHR-BDJLRTHQSA-N -1 3 240.324 2.069 20 0 BEADHM CCc1ccc(-c2nc(COC)no2)c([O-])c1 ZINC000276132279 386279421 /nfs/dbraw/zinc/27/94/21/386279421.db2.gz BDGJSSASQSXINR-UHFFFAOYSA-N -1 3 234.255 2.151 20 0 BEADHM Cc1cc(C(=O)NC[C@H]2C[C@H]2C)ccc1[O-] ZINC000226716589 386369346 /nfs/dbraw/zinc/36/93/46/386369346.db2.gz FQNVVYBITZHZSB-LDYMZIIASA-N -1 3 219.284 2.086 20 0 BEADHM CCc1ccccc1CC(=O)[N-]OCC(C)C ZINC000276881382 386385639 /nfs/dbraw/zinc/38/56/39/386385639.db2.gz GEAJHOQVMYDCOL-UHFFFAOYSA-N -1 3 235.327 2.495 20 0 BEADHM C[C@H]1Oc2ccccc2[C@H]1[N-]C(=O)C(C)(F)F ZINC000289661272 386339406 /nfs/dbraw/zinc/33/94/06/386339406.db2.gz FOFACLXPCWICJG-XCBNKYQSSA-N -1 3 241.237 2.280 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCC(C)(C)CC2)n1 ZINC000336702063 386404332 /nfs/dbraw/zinc/40/43/32/386404332.db2.gz HQISHJZKNXHOOF-UHFFFAOYSA-N -1 3 249.358 2.367 20 0 BEADHM CCC(C)(C)Cc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351366137 386405042 /nfs/dbraw/zinc/40/50/42/386405042.db2.gz GKUGGDBCCRXQJN-UHFFFAOYSA-N -1 3 248.286 2.211 20 0 BEADHM CC(C)CC[C@@H](C)Nc1nc2nncc-2c(O)[n-]1 ZINC000277233492 386417864 /nfs/dbraw/zinc/41/78/64/386417864.db2.gz NKUNZLQOHWMNIO-MRVPVSSYSA-N -1 3 249.318 2.295 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@H]2CCC(C)(C)C2)c1C ZINC000335426876 386479515 /nfs/dbraw/zinc/47/95/15/386479515.db2.gz BVIPIOBCABAAKK-JTQLQIEISA-N -1 3 249.358 2.467 20 0 BEADHM Cc1ccc([O-])c(CN2CC3(C2)CCCC3)n1 ZINC000335427150 386480179 /nfs/dbraw/zinc/48/01/79/386480179.db2.gz IVHIQLPIMRUOAC-UHFFFAOYSA-N -1 3 232.327 2.472 20 0 BEADHM CCOc1cc(-c2noc(CC)n2)ccc1[O-] ZINC000278093979 386487604 /nfs/dbraw/zinc/48/76/04/386487604.db2.gz OTZWWGQTBIMXNP-UHFFFAOYSA-N -1 3 234.255 2.403 20 0 BEADHM Cc1ccc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)o1 ZINC000335443304 386503775 /nfs/dbraw/zinc/50/37/75/386503775.db2.gz NDEXVQFESADMFH-SKDRFNHKSA-N -1 3 237.299 2.131 20 0 BEADHM O=C(CCC1CCC1)[N-]OC/C=C/Cl ZINC000291742153 386576358 /nfs/dbraw/zinc/57/63/58/386576358.db2.gz GHFYITJLVFGYJB-FARCUNLSSA-N -1 3 217.696 2.367 20 0 BEADHM O=C(CC1CC1)Nc1cc(F)ccc1[O-] ZINC000267369212 386535006 /nfs/dbraw/zinc/53/50/06/386535006.db2.gz RNSWMPNORCQFJM-UHFFFAOYSA-N -1 3 209.220 2.270 20 0 BEADHM CCc1cc(C(=O)NCC2CC2)ccc1[O-] ZINC000291444367 386545418 /nfs/dbraw/zinc/54/54/18/386545418.db2.gz JESJDCKHDALNEP-UHFFFAOYSA-N -1 3 219.284 2.094 20 0 BEADHM CCc1cc(C(=O)N[C@H](C)CC)ccc1[O-] ZINC000291462986 386549298 /nfs/dbraw/zinc/54/92/98/386549298.db2.gz NTBRZYGQLMPDPY-SECBINFHSA-N -1 3 221.300 2.483 20 0 BEADHM CCC(CC)c1cc(C[N-]C(=O)C(F)F)on1 ZINC000278848962 386597821 /nfs/dbraw/zinc/59/78/21/386597821.db2.gz AQLSTPXQOCBDHT-UHFFFAOYSA-N -1 3 246.257 2.460 20 0 BEADHM CC1(C)CC[C@H](C(=O)NCc2ncccc2[O-])C1 ZINC000335409122 386571674 /nfs/dbraw/zinc/57/16/74/386571674.db2.gz BTLWYSAODUXGMI-JTQLQIEISA-N -1 3 248.326 2.230 20 0 BEADHM O=C(CCC(F)(F)F)[N-]OC/C=C/Cl ZINC000291935607 386601490 /nfs/dbraw/zinc/60/14/90/386601490.db2.gz VKRACJHNXWWYEM-DAFODLJHSA-N -1 3 231.601 2.129 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCC(=O)C1 ZINC000335494203 386613522 /nfs/dbraw/zinc/61/35/22/386613522.db2.gz KYTVQNDUDHLOHF-SECBINFHSA-N -1 3 233.267 2.008 20 0 BEADHM Cc1nc(C)c(NC([O-])=NOCC2CC2)s1 ZINC000292698515 386711997 /nfs/dbraw/zinc/71/19/97/386711997.db2.gz KTRQBEHPIGIRMB-UHFFFAOYSA-N -1 3 241.316 2.223 20 0 BEADHM Cc1nc(C)c(NC(=O)[N-]OCC2CC2)s1 ZINC000292698515 386712001 /nfs/dbraw/zinc/71/20/01/386712001.db2.gz KTRQBEHPIGIRMB-UHFFFAOYSA-N -1 3 241.316 2.223 20 0 BEADHM COc1cc(C(=O)N2C3CCC2CC3)ccc1[O-] ZINC000526943130 386700620 /nfs/dbraw/zinc/70/06/20/386700620.db2.gz XFANRHJTWPONRQ-UHFFFAOYSA-N -1 3 247.294 2.168 20 0 BEADHM C[C@H](CSCc1nc(=O)[n-][nH]1)c1ccccc1 ZINC000279812759 386739362 /nfs/dbraw/zinc/73/93/62/386739362.db2.gz ADSLXHPPCCDXJC-SECBINFHSA-N -1 3 249.339 2.135 20 0 BEADHM C[C@]1(C(=O)Nc2ncccc2[O-])CC=CCC1 ZINC000450800793 386717764 /nfs/dbraw/zinc/71/77/64/386717764.db2.gz RCYHJSKCELXNEN-ZDUSSCGKSA-N -1 3 232.283 2.472 20 0 BEADHM CSCCO[N-]C(=O)CCc1ccccc1 ZINC000279883389 386751472 /nfs/dbraw/zinc/75/14/72/386751472.db2.gz FHMCRUBAPFRBGY-UHFFFAOYSA-N -1 3 239.340 2.030 20 0 BEADHM CCc1cc(C(=O)NCc2ccco2)ccc1[O-] ZINC000340738645 386758120 /nfs/dbraw/zinc/75/81/20/386758120.db2.gz ILOPECUTSSLTSE-UHFFFAOYSA-N -1 3 245.278 2.478 20 0 BEADHM CSCCON=C([O-])Nc1ccc(F)cc1 ZINC000280473874 386818112 /nfs/dbraw/zinc/81/81/12/386818112.db2.gz IMZOUIIUNHTVGI-UHFFFAOYSA-N -1 3 244.291 2.242 20 0 BEADHM CSCCO[N-]C(=O)Nc1ccc(F)cc1 ZINC000280473874 386818117 /nfs/dbraw/zinc/81/81/17/386818117.db2.gz IMZOUIIUNHTVGI-UHFFFAOYSA-N -1 3 244.291 2.242 20 0 BEADHM CC1(C)SC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000283187776 386824841 /nfs/dbraw/zinc/82/48/41/386824841.db2.gz KHLILOCWGJTYAA-SNVBAGLBSA-N -1 3 237.324 2.016 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-]CCCC(C)C)o1 ZINC000330668166 386815820 /nfs/dbraw/zinc/81/58/20/386815820.db2.gz YYRXNQPHHUABKX-UHFFFAOYSA-N -1 3 245.344 2.303 20 0 BEADHM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1ccco1 ZINC000331429954 386853480 /nfs/dbraw/zinc/85/34/80/386853480.db2.gz FQEVOZYEUQUWHC-VIFPVBQESA-N -1 3 243.328 2.137 20 0 BEADHM CC[C@H](CNCc1c(F)ccc([O-])c1F)OC ZINC000293855078 386891689 /nfs/dbraw/zinc/89/16/89/386891689.db2.gz HYUCEQBWJIDYKS-MRVPVSSYSA-N -1 3 245.269 2.185 20 0 BEADHM CCc1ccc(C(=O)N2CC[C@@H](F)C2)c([O-])c1 ZINC000334837139 386879465 /nfs/dbraw/zinc/87/94/65/386879465.db2.gz JRHJHPICJBWSEB-SNVBAGLBSA-N -1 3 237.274 2.139 20 0 BEADHM O=C(CC1=CCCCC1)[N-]OCC1CC1 ZINC000293805767 386882784 /nfs/dbraw/zinc/88/27/84/386882784.db2.gz PYITWRHLOFIESW-UHFFFAOYSA-N -1 3 209.289 2.335 20 0 BEADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1csc(=O)[n-]1 ZINC000335756191 386884536 /nfs/dbraw/zinc/88/45/36/386884536.db2.gz IVXWPXIYYWZOPB-SFYZADRCSA-N -1 3 240.328 2.109 20 0 BEADHM C[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000335759016 386888853 /nfs/dbraw/zinc/88/88/53/386888853.db2.gz NHRXAVZPUZQITQ-MRVPVSSYSA-N -1 3 248.307 2.340 20 0 BEADHM O=C(CCc1cscn1)Nc1ccccc1[O-] ZINC000341556648 386926154 /nfs/dbraw/zinc/92/61/54/386926154.db2.gz MMWNNBQCWLETKU-UHFFFAOYSA-N -1 3 248.307 2.420 20 0 BEADHM O=C(c1ccc(O)cc1[O-])N1C[C@H]2CCCC[C@H]21 ZINC000368318086 386959040 /nfs/dbraw/zinc/95/90/40/386959040.db2.gz PHVPILFUOQBYCD-BXKDBHETSA-N -1 3 247.294 2.112 20 0 BEADHM CCCC1(C(=O)Nc2ncccc2[O-])CC1 ZINC000341897398 386994920 /nfs/dbraw/zinc/99/49/20/386994920.db2.gz BRAHOCSIERFWFK-UHFFFAOYSA-N -1 3 220.272 2.306 20 0 BEADHM CCc1ccc(C(=O)N[C@@H](C)C2CC2)c([O-])c1 ZINC000188622776 387072593 /nfs/dbraw/zinc/07/25/93/387072593.db2.gz HEWFKURDDMDHDK-VIFPVBQESA-N -1 3 233.311 2.483 20 0 BEADHM CC(C)(NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000228246874 387085243 /nfs/dbraw/zinc/08/52/43/387085243.db2.gz NDWRJQLIFDZHDD-UHFFFAOYSA-N -1 3 245.681 2.432 20 0 BEADHM Cc1ccc(NC(=O)Cc2ccoc2)c([O-])c1 ZINC000119098721 387094244 /nfs/dbraw/zinc/09/42/44/387094244.db2.gz RVFICBZSCTXKSE-UHFFFAOYSA-N -1 3 231.251 2.475 20 0 BEADHM CC[C@@H]1C[C@H](NC(=O)c2ccccc2[O-])CCO1 ZINC000335028167 387120656 /nfs/dbraw/zinc/12/06/56/387120656.db2.gz YYIKPFOYUGLUSS-GHMZBOCLSA-N -1 3 249.310 2.080 20 0 BEADHM CC[C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])CCO1 ZINC000335028170 387122828 /nfs/dbraw/zinc/12/28/28/387122828.db2.gz YYIKPFOYUGLUSS-WDEREUQCSA-N -1 3 249.310 2.080 20 0 BEADHM O=C(CC1CC(F)(F)C1)Nc1ncccc1[O-] ZINC000336227126 387068377 /nfs/dbraw/zinc/06/83/77/387068377.db2.gz FKYXYOTZPSSLBG-UHFFFAOYSA-N -1 3 242.225 2.161 20 0 BEADHM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000186774017 387141565 /nfs/dbraw/zinc/14/15/65/387141565.db2.gz KPPONRQCRVNZQN-RNCFNFMXSA-N -1 3 234.299 2.408 20 0 BEADHM CC(C)NC(=O)[C@@H](C)[N-]c1nc2ccccc2o1 ZINC000229198155 387144104 /nfs/dbraw/zinc/14/41/04/387144104.db2.gz ZJLPECFBTZETIZ-SECBINFHSA-N -1 3 247.298 2.153 20 0 BEADHM Cc1noc([N-]C(=O)COc2ccccc2)c1C ZINC000359732754 387155567 /nfs/dbraw/zinc/15/55/67/387155567.db2.gz WLLANMVUQFJGLP-UHFFFAOYSA-N -1 3 246.266 2.309 20 0 BEADHM CC[C@H]1CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000336305480 387133999 /nfs/dbraw/zinc/13/39/99/387133999.db2.gz OCDWVJAXYWBPJT-JTQLQIEISA-N -1 3 237.274 2.085 20 0 BEADHM CCN(Cc1cccc([O-])c1Cl)C[C@H](C)O ZINC000353460275 387207130 /nfs/dbraw/zinc/20/71/30/387207130.db2.gz KQHKHIQNIWYJOJ-VIFPVBQESA-N -1 3 243.734 2.248 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@@H]2C)c1C ZINC000336389798 387218232 /nfs/dbraw/zinc/21/82/32/387218232.db2.gz NWPJJOQPVNQXOI-WCBMZHEXSA-N -1 3 235.331 2.077 20 0 BEADHM Cc1ccc([O-])c(NC(=O)Cc2ccsc2)n1 ZINC000336393845 387222035 /nfs/dbraw/zinc/22/20/35/387222035.db2.gz ALKGSXMTDIHPKG-UHFFFAOYSA-N -1 3 248.307 2.338 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)CF)c1 ZINC000360590544 387315724 /nfs/dbraw/zinc/31/57/24/387315724.db2.gz FRFJQRSGWGQNFM-QMMMGPOBSA-N -1 3 225.263 2.042 20 0 BEADHM Cc1ccc(C(=O)Nc2ccccc2[O-])n1C ZINC000302918337 387297682 /nfs/dbraw/zinc/29/76/82/387297682.db2.gz UDKJEAKDTSSTME-UHFFFAOYSA-N -1 3 230.267 2.291 20 0 BEADHM C[C@H](N(C)C(=O)c1csc(=O)[n-]1)C1(C)CC1 ZINC000336471847 387301820 /nfs/dbraw/zinc/30/18/20/387301820.db2.gz SYDFHGLHJSYFIW-ZETCQYMHSA-N -1 3 240.328 2.109 20 0 BEADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(O)cc1[O-] ZINC000162026875 387307523 /nfs/dbraw/zinc/30/75/23/387307523.db2.gz NGGFCFNOMTUGSP-RKDXNWHRSA-N -1 3 235.283 2.111 20 0 BEADHM C[C@H]1CC[C@H](C)N1C(=O)c1ccccc1[O-] ZINC000162436097 387367870 /nfs/dbraw/zinc/36/78/70/387367870.db2.gz MKZGCLCPXMNKAN-UWVGGRQHSA-N -1 3 219.284 2.405 20 0 BEADHM Cc1ccnc(C(=O)[N-]c2c(F)cccc2F)n1 ZINC000336495963 387323626 /nfs/dbraw/zinc/32/36/26/387323626.db2.gz WWXDJNXISDSPEF-UHFFFAOYSA-N -1 3 249.220 2.316 20 0 BEADHM CC(C)C(C)(C)NC(=O)c1cccc2nn[n-]c21 ZINC000515032931 387324608 /nfs/dbraw/zinc/32/46/08/387324608.db2.gz VCWUAYQKFKAFQN-UHFFFAOYSA-N -1 3 246.314 2.122 20 0 BEADHM CC(C)C(C)(C)NC(=O)c1cccc2[n-]nnc21 ZINC000515032931 387324613 /nfs/dbraw/zinc/32/46/13/387324613.db2.gz VCWUAYQKFKAFQN-UHFFFAOYSA-N -1 3 246.314 2.122 20 0 BEADHM CC(C)C(C)(C)NC(=O)c1cccc2n[n-]nc21 ZINC000515032931 387324618 /nfs/dbraw/zinc/32/46/18/387324618.db2.gz VCWUAYQKFKAFQN-UHFFFAOYSA-N -1 3 246.314 2.122 20 0 BEADHM CC(=O)c1cccc(NC(=O)c2ccco2)c1[O-] ZINC000336512424 387336749 /nfs/dbraw/zinc/33/67/49/387336749.db2.gz JNINOGCEPQJDQE-UHFFFAOYSA-N -1 3 245.234 2.440 20 0 BEADHM COc1cc(C(=O)NCCCC2CC2)ccc1[O-] ZINC000525951658 387341734 /nfs/dbraw/zinc/34/17/34/387341734.db2.gz LYIVWDGOSRFDSM-UHFFFAOYSA-N -1 3 249.310 2.321 20 0 BEADHM Cc1cc(=NCc2c(F)ccc([O-])c2F)[nH]o1 ZINC000336561541 387387195 /nfs/dbraw/zinc/38/71/95/387387195.db2.gz HKBQAVGENWUTOT-UHFFFAOYSA-N -1 3 240.209 2.001 20 0 BEADHM Cc1cc(C(=O)N[C@H]2C[C@@H]2C(F)F)ccc1[O-] ZINC000336574433 387398154 /nfs/dbraw/zinc/39/81/54/387398154.db2.gz ZAAVBIWXFNXVLK-IUCAKERBSA-N -1 3 241.237 2.084 20 0 BEADHM CCc1cc(=O)[n-]c(CN2[C@H](C)CC[C@@H]2C)n1 ZINC000122225136 387500919 /nfs/dbraw/zinc/50/09/19/387500919.db2.gz ZLAAFXYIRHLYCI-AOOOYVTPSA-N -1 3 235.331 2.117 20 0 BEADHM CC[C@H](C)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000421926307 387507659 /nfs/dbraw/zinc/50/76/59/387507659.db2.gz YRTAIUQJKXQABM-VIFPVBQESA-N -1 3 239.290 2.236 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@H]2C[C@H]2C(C)C)n1 ZINC000361613335 387511021 /nfs/dbraw/zinc/51/10/21/387511021.db2.gz XKTDCQDTHHKYNH-UWVGGRQHSA-N -1 3 234.299 2.326 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2C(C)C)n1 ZINC000361613336 387511758 /nfs/dbraw/zinc/51/17/58/387511758.db2.gz XKTDCQDTHHKYNH-VHSXEESVSA-N -1 3 234.299 2.326 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2C(C)C)n1 ZINC000361613337 387511761 /nfs/dbraw/zinc/51/17/61/387511761.db2.gz XKTDCQDTHHKYNH-ZJUUUORDSA-N -1 3 234.299 2.326 20 0 BEADHM C[C@@H](CC(=O)[O-])NCc1cc2ccccc2o1 ZINC000362346093 387598703 /nfs/dbraw/zinc/59/87/03/387598703.db2.gz JSUWPMXKHRWTBD-VIFPVBQESA-N -1 3 233.267 2.386 20 0 BEADHM CCc1cc(C(=O)NCC2(C)CC2)ccc1[O-] ZINC000362875627 387667940 /nfs/dbraw/zinc/66/79/40/387667940.db2.gz MXXADVUTDJJCPX-UHFFFAOYSA-N -1 3 233.311 2.485 20 0 BEADHM O=C(Nc1ncccc1[O-])c1ccccc1F ZINC000000179944 387683643 /nfs/dbraw/zinc/68/36/43/387683643.db2.gz ZRJBWYGLUNAVDA-UHFFFAOYSA-N -1 3 232.214 2.179 20 0 BEADHM CC[C@H](NC(=O)c1cc(C)ccc1[O-])C(F)F ZINC000452256218 387781328 /nfs/dbraw/zinc/78/13/28/387781328.db2.gz SUKDLSDNOLMBOH-VIFPVBQESA-N -1 3 243.253 2.474 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CCC(C)CC2)c1 ZINC000049956744 387789513 /nfs/dbraw/zinc/78/95/13/387789513.db2.gz BTMFBJQGKYFTOT-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM CO[C@@H]1CCCN(C(=O)c2cccc([O-])c2)CC1 ZINC000378641412 387792235 /nfs/dbraw/zinc/79/22/35/387792235.db2.gz YAFVIFKZYOZYJF-CYBMUJFWSA-N -1 3 249.310 2.033 20 0 BEADHM CCCN(CC)C(=O)c1ccc([O-])c(OC)c1 ZINC000442645131 387811543 /nfs/dbraw/zinc/81/15/43/387811543.db2.gz IJCNURZIXYXWFY-UHFFFAOYSA-N -1 3 237.299 2.273 20 0 BEADHM CN(Cc1occc1C(=O)[O-])C(C)(C)C ZINC000394327464 387864149 /nfs/dbraw/zinc/86/41/49/387864149.db2.gz NMQWBAJOGCKQFL-UHFFFAOYSA-N -1 3 211.261 2.208 20 0 BEADHM COc1cc(C(=O)N[C@H](C)CC2CC2)ccc1[O-] ZINC000442658643 387813779 /nfs/dbraw/zinc/81/37/79/387813779.db2.gz XBOCJVYPXQTQTJ-SECBINFHSA-N -1 3 249.310 2.319 20 0 BEADHM Cc1ccnc(CNC(=O)c2ccccc2[O-])c1 ZINC000328127630 387910662 /nfs/dbraw/zinc/91/06/62/387910662.db2.gz UZWYKHTXQMNKRM-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM C[C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])C[C@H](C)O1 ZINC000245512103 387953882 /nfs/dbraw/zinc/95/38/82/387953882.db2.gz ZUFBEQYGURWIEZ-JGPRNRPPSA-N -1 3 249.310 2.078 20 0 BEADHM O=C(NCc1ccccc1)c1c([O-])cccc1O ZINC000142834155 387945037 /nfs/dbraw/zinc/94/50/37/387945037.db2.gz HCBZAZIMZYTNQQ-UHFFFAOYSA-N -1 3 243.262 2.028 20 0 BEADHM Cc1cc(C(=O)NC[C@H]2C[C@@H]2C)ccc1[O-] ZINC000226716576 177792721 /nfs/dbraw/zinc/79/27/21/177792721.db2.gz FQNVVYBITZHZSB-GZMMTYOYSA-N -1 3 219.284 2.086 20 0 BEADHM CC(C)[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448633713 388031098 /nfs/dbraw/zinc/03/10/98/388031098.db2.gz HFRGVNVOIILJTF-VIFPVBQESA-N -1 3 239.290 2.235 20 0 BEADHM O=C([O-])[C@H]1CCCN1Cc1coc2ccccc12 ZINC000084073477 388070388 /nfs/dbraw/zinc/07/03/88/388070388.db2.gz WDKVCONCNRZLAW-GFCCVEGCSA-N -1 3 245.278 2.482 20 0 BEADHM Cc1ccc([O-])c(NC(=O)c2cccc(O)c2)n1 ZINC000447638394 388084700 /nfs/dbraw/zinc/08/47/00/388084700.db2.gz YSOBEIMOHSSWPS-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM Cc1ccc(C(=O)Nc2ccc([O-])cc2F)n1C ZINC000085203809 388085482 /nfs/dbraw/zinc/08/54/82/388085482.db2.gz QJUSCIMROUQQKK-UHFFFAOYSA-N -1 3 248.257 2.431 20 0 BEADHM CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccc(O)cc1[O-] ZINC000456292349 388192395 /nfs/dbraw/zinc/19/23/95/388192395.db2.gz FOFXRJJBYJOGNM-CABZTGNLSA-N -1 3 249.310 2.120 20 0 BEADHM C/C=C(/C=C/C(=O)NCc1ncccc1[O-])CC ZINC000492014541 388331553 /nfs/dbraw/zinc/33/15/53/388331553.db2.gz BEKBAOXNIKSQQY-ZMSWCZRLSA-N -1 3 246.310 2.316 20 0 BEADHM CC/C=C/C[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451768366 388294799 /nfs/dbraw/zinc/29/47/99/388294799.db2.gz IJEYFDWIEISEAQ-SNAWJCMRSA-N -1 3 245.369 2.301 20 0 BEADHM Cc1ccc([O-])c(-c2nc(-c3ncc[nH]3)no2)c1 ZINC000094940843 256641077 /nfs/dbraw/zinc/64/10/77/256641077.db2.gz XDHMVXKXIARSKB-UHFFFAOYSA-N -1 3 242.238 2.141 20 0 BEADHM O=C(/C=C\c1ccc[nH]1)[N-]OCCC(F)(F)F ZINC000491978673 388330402 /nfs/dbraw/zinc/33/04/02/388330402.db2.gz RCOOVVFLLZYQPC-ARJAWSKDSA-N -1 3 248.204 2.028 20 0 BEADHM CC[C@@H]1CCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000451345307 388264211 /nfs/dbraw/zinc/26/42/11/388264211.db2.gz ROMSBVFFJWRMMW-GHMZBOCLSA-N -1 3 248.326 2.230 20 0 BEADHM Cc1ccc(/C=C\C(=O)[N-]OCC(C)C)cn1 ZINC000492359759 388342596 /nfs/dbraw/zinc/34/25/96/388342596.db2.gz PZZHEDDDTOYZNI-SREVYHEPSA-N -1 3 234.299 2.107 20 0 BEADHM CC(C)(NC(=O)/C=C\c1cncc([O-])c1)C1CC1 ZINC000492392744 388343252 /nfs/dbraw/zinc/34/32/52/388343252.db2.gz CSHPYXZVFFGXCW-UTCJRWHESA-N -1 3 246.310 2.105 20 0 BEADHM COC[C@H](C)CNCc1cccc([O-])c1Cl ZINC000293531679 388389349 /nfs/dbraw/zinc/38/93/49/388389349.db2.gz JLPXBVWOVZIVJN-SECBINFHSA-N -1 3 243.734 2.418 20 0 BEADHM CC[N@H+](C)CCNCc1cccc([O-])c1Cl ZINC000293460319 388389367 /nfs/dbraw/zinc/38/93/67/388389367.db2.gz DCVYJWDAUZJQNV-UHFFFAOYSA-N -1 3 242.750 2.087 20 0 BEADHM CCN(C)CCNCc1cccc([O-])c1Cl ZINC000293460319 388389370 /nfs/dbraw/zinc/38/93/70/388389370.db2.gz DCVYJWDAUZJQNV-UHFFFAOYSA-N -1 3 242.750 2.087 20 0 BEADHM COC[C@@H](C)CNCc1cccc([O-])c1Cl ZINC000293531680 388389510 /nfs/dbraw/zinc/38/95/10/388389510.db2.gz JLPXBVWOVZIVJN-VIFPVBQESA-N -1 3 243.734 2.418 20 0 BEADHM Cc1cncc(/C=C\C(=O)[N-]OCC(C)C)c1 ZINC000492220833 388338589 /nfs/dbraw/zinc/33/85/89/388338589.db2.gz GFPCKTHAEYOCJE-PLNGDYQASA-N -1 3 234.299 2.107 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000649231182 388464052 /nfs/dbraw/zinc/46/40/52/388464052.db2.gz KRFKQFJJWDQHDQ-URLYPYJESA-N -1 3 247.342 2.248 20 0 BEADHM Cc1occc1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649233656 388464423 /nfs/dbraw/zinc/46/44/23/388464423.db2.gz ZPHKKVKTKFBHFQ-UHFFFAOYSA-N -1 3 247.298 2.417 20 0 BEADHM COC1(CNC(=O)c2cccc([O-])c2)CCCC1 ZINC000295523657 388412534 /nfs/dbraw/zinc/41/25/34/388412534.db2.gz IVRSOSSMVUOVAY-UHFFFAOYSA-N -1 3 249.310 2.081 20 0 BEADHM Cc1nc(-c2noc(-c3ccccc3[O-])n2)co1 ZINC000310755158 388488871 /nfs/dbraw/zinc/48/88/71/388488871.db2.gz NAROMHFKADZFFD-UHFFFAOYSA-N -1 3 243.222 2.406 20 0 BEADHM CO[C@H](C(=O)Nc1cccc([O-])c1F)C(C)C ZINC000548105020 388511850 /nfs/dbraw/zinc/51/18/50/388511850.db2.gz FZNQATAYCAWFBE-NSHDSACASA-N -1 3 241.262 2.141 20 0 BEADHM C[C@@H](NCc1cccc([O-])c1Cl)C(C)(C)O ZINC000378853882 388521803 /nfs/dbraw/zinc/52/18/03/388521803.db2.gz IGGOJUPUTIZXQL-MRVPVSSYSA-N -1 3 243.734 2.295 20 0 BEADHM O=C([O-])CCN1CCc2cc(Cl)ccc2C1 ZINC000082791322 388587718 /nfs/dbraw/zinc/58/77/18/388587718.db2.gz DTGYUGZKDKVJOT-UHFFFAOYSA-N -1 3 239.702 2.173 20 0 BEADHM CC1(C)C(NC(=O)c2c([O-])cccc2O)C1(C)C ZINC000220251407 388602348 /nfs/dbraw/zinc/60/23/48/388602348.db2.gz ACWDFBAVOUMEGF-UHFFFAOYSA-N -1 3 249.310 2.262 20 0 BEADHM O=C([O-])[C@H]1c2ccoc2CCN1CCCCF ZINC000530164997 388618004 /nfs/dbraw/zinc/61/80/04/388618004.db2.gz CTBBMJUZWXSLHT-LLVKDONJSA-N -1 3 241.262 2.013 20 0 BEADHM CCN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000077253429 388582516 /nfs/dbraw/zinc/58/25/16/388582516.db2.gz NSUBSLGQLGFFBB-UHFFFAOYSA-N -1 3 243.253 2.261 20 0 BEADHM CCOCCO[N-]C(=O)/C=C/c1cccc(C)c1 ZINC000184794143 388582880 /nfs/dbraw/zinc/58/28/80/388582880.db2.gz JBEMLWDDKHPEKU-BQYQJAHWSA-N -1 3 249.310 2.093 20 0 BEADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](C)C1 ZINC000085828086 388675459 /nfs/dbraw/zinc/67/54/59/388675459.db2.gz GQKNYKFMVWIRTO-IUCAKERBSA-N -1 3 223.272 2.381 20 0 BEADHM CO[C@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000552781464 388736835 /nfs/dbraw/zinc/73/68/35/388736835.db2.gz GPLNHKXSQLTCOE-ZCFIWIBFSA-N -1 3 229.663 2.019 20 0 BEADHM O=C(Nc1nnc(-c2ccco2)[n-]1)C1CCCC1 ZINC000128072029 388738097 /nfs/dbraw/zinc/73/80/97/388738097.db2.gz SRWALNVJOJXTJZ-UHFFFAOYSA-N -1 3 246.270 2.193 20 0 BEADHM O=C(Nc1nc(-c2ccco2)n[n-]1)C1CCCC1 ZINC000128072029 388738099 /nfs/dbraw/zinc/73/80/99/388738099.db2.gz SRWALNVJOJXTJZ-UHFFFAOYSA-N -1 3 246.270 2.193 20 0 BEADHM O=C(Nc1n[n-]c(-c2ccco2)n1)C1CCCC1 ZINC000128072029 388738102 /nfs/dbraw/zinc/73/81/02/388738102.db2.gz SRWALNVJOJXTJZ-UHFFFAOYSA-N -1 3 246.270 2.193 20 0 BEADHM CCCN(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000126567178 388696962 /nfs/dbraw/zinc/69/69/62/388696962.db2.gz DSYXFHKARJPHPM-UHFFFAOYSA-N -1 3 221.300 2.491 20 0 BEADHM C[C@H]1COCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000195442473 388709891 /nfs/dbraw/zinc/70/98/91/388709891.db2.gz XKPXWELCFFGQLE-UWVGGRQHSA-N -1 3 235.283 2.003 20 0 BEADHM O=C(CC1CC1)Nc1cccc([O-])c1F ZINC000129288807 388830162 /nfs/dbraw/zinc/83/01/62/388830162.db2.gz OWJNAYMAVWJEFY-UHFFFAOYSA-N -1 3 209.220 2.270 20 0 BEADHM C[C@@H]1CCC[C@H]1CNC(=O)c1c([O-])cccc1O ZINC000232434937 388850299 /nfs/dbraw/zinc/85/02/99/388850299.db2.gz JUPMBRIEVUGXFU-ZJUUUORDSA-N -1 3 249.310 2.264 20 0 BEADHM CC(C)=CCCNC(=O)c1cccc2nn[n-]c21 ZINC000564797173 388890042 /nfs/dbraw/zinc/89/00/42/388890042.db2.gz CQJNEODULOHDRR-UHFFFAOYSA-N -1 3 244.298 2.044 20 0 BEADHM CC(C)=CCCNC(=O)c1cccc2[n-]nnc21 ZINC000564797173 388890046 /nfs/dbraw/zinc/89/00/46/388890046.db2.gz CQJNEODULOHDRR-UHFFFAOYSA-N -1 3 244.298 2.044 20 0 BEADHM CC(C)=CCCNC(=O)c1cccc2n[n-]nc21 ZINC000564797173 388890048 /nfs/dbraw/zinc/89/00/48/388890048.db2.gz CQJNEODULOHDRR-UHFFFAOYSA-N -1 3 244.298 2.044 20 0 BEADHM Cc1ccc(C(=O)N[C@H](C)C(F)(F)F)c([O-])c1 ZINC000290209750 388878055 /nfs/dbraw/zinc/87/80/55/388878055.db2.gz VNCAUWMNISWMGC-SSDOTTSWSA-N -1 3 247.216 2.381 20 0 BEADHM CCC(=O)N1CCCc2cccc([O-])c21 ZINC000063063741 132388324 /nfs/dbraw/zinc/38/83/24/132388324.db2.gz NCQFARUJWOLSBK-UHFFFAOYSA-N -1 3 205.257 2.081 20 0 BEADHM CO[C@@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186268939 132447997 /nfs/dbraw/zinc/44/79/97/132447997.db2.gz YWKRLTFORGJJMC-UWVGGRQHSA-N -1 3 249.310 2.267 20 0 BEADHM Cn1ccc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000334298741 133612587 /nfs/dbraw/zinc/61/25/87/133612587.db2.gz OMBYQKYJUMNEDH-UHFFFAOYSA-N -1 3 234.230 2.122 20 0 BEADHM O=C(N[C@@H]1CCC[C@H](F)C1)c1cccc([O-])c1 ZINC000335509714 133870839 /nfs/dbraw/zinc/87/08/39/133870839.db2.gz KCJMQUQRSJOAME-WDEREUQCSA-N -1 3 237.274 2.403 20 0 BEADHM CCOCc1nc(=O)c2c(C)csc2[n-]1 ZINC000335940748 134017229 /nfs/dbraw/zinc/01/72/29/134017229.db2.gz KUKXXQLWJZSOLL-UHFFFAOYSA-N -1 3 224.285 2.242 20 0 BEADHM C[C@H]1C[C@H](C)N1C(=O)c1cccc([O-])c1 ZINC000336065193 134070038 /nfs/dbraw/zinc/07/00/38/134070038.db2.gz XOQYJXNRAWYZDW-IUCAKERBSA-N -1 3 205.257 2.015 20 0 BEADHM COc1cccc(C(=O)N2CC[C@@H]2C(C)C)c1[O-] ZINC000336144050 134101484 /nfs/dbraw/zinc/10/14/84/134101484.db2.gz GRQLNPORPNTAJU-LLVKDONJSA-N -1 3 249.310 2.271 20 0 BEADHM Cc1cccc(C(=O)N2[C@@H](C)C[C@@H]2C)c1[O-] ZINC000336157949 134106831 /nfs/dbraw/zinc/10/68/31/134106831.db2.gz OZVDQLDNJAIIMK-UWVGGRQHSA-N -1 3 219.284 2.324 20 0 BEADHM CN(Cc1cccc([O-])c1Cl)C1CC(O)C1 ZINC000336160107 134110827 /nfs/dbraw/zinc/11/08/27/134110827.db2.gz BYFBUKXDFZNCJO-UHFFFAOYSA-N -1 3 241.718 2.001 20 0 BEADHM CCOCc1nc(=O)c2cc(C)sc2[n-]1 ZINC000336181846 134120032 /nfs/dbraw/zinc/12/00/32/134120032.db2.gz MVAATYLMPFIVLT-UHFFFAOYSA-N -1 3 224.285 2.242 20 0 BEADHM CCCn1cc(C(=O)Nc2ccccc2[O-])cn1 ZINC000182901984 134349284 /nfs/dbraw/zinc/34/92/84/134349284.db2.gz NCOKLDGDWVGJHO-UHFFFAOYSA-N -1 3 245.282 2.251 20 0 BEADHM Cc1csc(-c2nc3ccccc3c(=O)[n-]2)n1 ZINC000183643702 134355425 /nfs/dbraw/zinc/35/54/25/134355425.db2.gz HSWOYRJQRZSQFA-UHFFFAOYSA-N -1 3 243.291 2.355 20 0 BEADHM COc1ccc([O-])c(C(=O)NC[C@@H]2CC2(C)C)c1 ZINC000226260310 134362334 /nfs/dbraw/zinc/36/23/34/134362334.db2.gz ZBJWDXVROIQELC-VIFPVBQESA-N -1 3 249.310 2.177 20 0 BEADHM Cc1cc(C(=O)NCCc2ccco2)ccc1[O-] ZINC000227013514 134373767 /nfs/dbraw/zinc/37/37/67/134373767.db2.gz WWRIGRRYFDWFSU-UHFFFAOYSA-N -1 3 245.278 2.266 20 0 BEADHM CC1(C)CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000227613637 134388580 /nfs/dbraw/zinc/38/85/80/134388580.db2.gz GACXXQXIQGYIGL-UHFFFAOYSA-N -1 3 249.310 2.360 20 0 BEADHM Cc1nc(C(C)(C)NCCC(=O)[O-])sc1C ZINC000261599745 135110903 /nfs/dbraw/zinc/11/09/03/135110903.db2.gz ZZXISJCOXBSKEF-UHFFFAOYSA-N -1 3 242.344 2.059 20 0 BEADHM CC[C@](C)(NCCCC(=O)[O-])c1nccs1 ZINC000261580102 135220579 /nfs/dbraw/zinc/22/05/79/135220579.db2.gz MRKDLSCWXRUYMG-NSHDSACASA-N -1 3 242.344 2.223 20 0 BEADHM CC[C@@](C)(NCCC(=O)[O-])c1nc(C)cs1 ZINC000261589396 135230182 /nfs/dbraw/zinc/23/01/82/135230182.db2.gz TXSGZMQVYUKADC-LLVKDONJSA-N -1 3 242.344 2.141 20 0 BEADHM O=C([O-])CCCCN1CCc2ccc(O)cc2C1 ZINC000262216907 135285453 /nfs/dbraw/zinc/28/54/53/135285453.db2.gz JUNNYQBXJIKKFU-UHFFFAOYSA-N -1 3 249.310 2.005 20 0 BEADHM Cc1cccc(CN(C)[C@H](C)C(=O)[O-])c1F ZINC000263332639 135347358 /nfs/dbraw/zinc/34/73/58/135347358.db2.gz MMTUDZAGZRNDAF-SECBINFHSA-N -1 3 225.263 2.039 20 0 BEADHM CC[C@]1(C)COCCN1C(=O)c1cccc([O-])c1 ZINC000334305065 135348198 /nfs/dbraw/zinc/34/81/98/135348198.db2.gz GCTURLGOBBLOND-CQSZACIVSA-N -1 3 249.310 2.033 20 0 BEADHM CC[C@H](C(=O)[O-])N1CCc2ccc(F)cc2C1 ZINC000263571857 135361406 /nfs/dbraw/zinc/36/14/06/135361406.db2.gz JZSZZUNSIXNHEH-GFCCVEGCSA-N -1 3 237.274 2.047 20 0 BEADHM CCc1ccc([O-])c(C(=O)N(C)C2CC2)c1 ZINC000334343308 135364273 /nfs/dbraw/zinc/36/42/73/135364273.db2.gz LWQDNCFNRLZXDS-UHFFFAOYSA-N -1 3 219.284 2.189 20 0 BEADHM Cc1cccc([O-])c1NC(=O)c1ccn(C)c1 ZINC000334393607 135385256 /nfs/dbraw/zinc/38/52/56/135385256.db2.gz BBACTPQRUYSRRO-UHFFFAOYSA-N -1 3 230.267 2.291 20 0 BEADHM COc1cc(C(=O)N[C@H]2CC[C@@H](C)C2)ccc1[O-] ZINC000334394547 135387156 /nfs/dbraw/zinc/38/71/56/135387156.db2.gz VPDFLDLFOIPFFD-KOLCDFICSA-N -1 3 249.310 2.319 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-]C2CCCCC2)o1 ZINC000334425586 135396994 /nfs/dbraw/zinc/39/69/94/135396994.db2.gz UUXQJLCKPOJBFA-UHFFFAOYSA-N -1 3 243.328 2.199 20 0 BEADHM [O-]c1cccnc1CNCc1cccc(F)c1 ZINC000347916721 136018226 /nfs/dbraw/zinc/01/82/26/136018226.db2.gz FXXIKTFKDCUOFX-UHFFFAOYSA-N -1 3 232.258 2.216 20 0 BEADHM Cc1co[n-]c1=NC(=O)c1ccoc1C(C)C ZINC000335311496 136029537 /nfs/dbraw/zinc/02/95/37/136029537.db2.gz OHCNNUJVXOWPCR-UHFFFAOYSA-N -1 3 234.255 2.374 20 0 BEADHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000188594076 397828006 /nfs/dbraw/zinc/82/80/06/397828006.db2.gz BJLXUGLRVFXZKT-ZJUUUORDSA-N -1 3 243.328 2.137 20 0 BEADHM Cc1ccc(C(=O)N[C@@H](C)C(C)(F)F)c([O-])c1 ZINC000389523741 397961811 /nfs/dbraw/zinc/96/18/11/397961811.db2.gz JDZQBIJFTGGCPT-QMMMGPOBSA-N -1 3 243.253 2.474 20 0 BEADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)[C@@H](C)[C@@H](C)O1 ZINC000438408721 397922776 /nfs/dbraw/zinc/92/27/76/397922776.db2.gz DQQSEVCGFIHBIW-OUAUKWLOSA-N -1 3 249.310 2.030 20 0 BEADHM CSc1nnc(NC(=O)[C@H](C)CC(C)C)[n-]1 ZINC000274220703 398004803 /nfs/dbraw/zinc/00/48/03/398004803.db2.gz JLBJHWSTFKGFTM-SSDOTTSWSA-N -1 3 242.348 2.147 20 0 BEADHM CSc1n[n-]c(NC(=O)[C@H](C)CC(C)C)n1 ZINC000274220703 398004807 /nfs/dbraw/zinc/00/48/07/398004807.db2.gz JLBJHWSTFKGFTM-SSDOTTSWSA-N -1 3 242.348 2.147 20 0 BEADHM CSc1nc(NC(=O)[C@H](C)CC(C)C)n[n-]1 ZINC000274220703 398004809 /nfs/dbraw/zinc/00/48/09/398004809.db2.gz JLBJHWSTFKGFTM-SSDOTTSWSA-N -1 3 242.348 2.147 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@H](C)CC(C)C)c1C ZINC000361327979 397975743 /nfs/dbraw/zinc/97/57/43/397975743.db2.gz FKBMGXHDXNWACZ-VIFPVBQESA-N -1 3 237.347 2.323 20 0 BEADHM CC[C@H]1CN(C(=O)c2cccc([O-])c2)CCCO1 ZINC000281166506 398057837 /nfs/dbraw/zinc/05/78/37/398057837.db2.gz BKMZNYZNPGNARF-ZDUSSCGKSA-N -1 3 249.310 2.033 20 0 BEADHM CN(Cc1cccc([O-])c1Cl)C1(CO)CC1 ZINC000668798600 487557739 /nfs/dbraw/zinc/55/77/39/487557739.db2.gz PZAMDHYHLPVBDV-UHFFFAOYSA-N -1 3 241.718 2.002 20 0 BEADHM CC(C)CCN(C)C(=O)c1ccc(O)cc1[O-] ZINC000221030170 487557851 /nfs/dbraw/zinc/55/78/51/487557851.db2.gz QIQDRPJQQCZPHW-UHFFFAOYSA-N -1 3 237.299 2.216 20 0 BEADHM O=C(CCn1cccc1)Nc1cc(F)ccc1[O-] ZINC000674326220 487560165 /nfs/dbraw/zinc/56/01/65/487560165.db2.gz JJGUOOCEALZEFA-UHFFFAOYSA-N -1 3 248.257 2.362 20 0 BEADHM CC(C)SCCNC(=O)c1ccccc1[O-] ZINC000286930649 167330279 /nfs/dbraw/zinc/33/02/79/167330279.db2.gz GTESYSPFCRRJCK-UHFFFAOYSA-N -1 3 239.340 2.264 20 0 BEADHM CN(Cc1occc1C(=O)[O-])C[C@@H]1CC1(C)C ZINC000663316774 410109477 /nfs/dbraw/zinc/10/94/77/410109477.db2.gz HDGPCTRSYUDBRO-VIFPVBQESA-N -1 3 237.299 2.456 20 0 BEADHM CCO[N-]C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116169453 410265058 /nfs/dbraw/zinc/26/50/58/410265058.db2.gz IFYMIHHEPVQLAS-HTQZYQBOSA-N -1 3 241.237 2.136 20 0 BEADHM CC(C)OCCC[S@@](=O)c1ccc([O-])cc1 ZINC000191181741 167225528 /nfs/dbraw/zinc/22/55/28/167225528.db2.gz REOQEAUSBXVRTC-MRXNPFEDSA-N -1 3 242.340 2.315 20 0 BEADHM CC(C)OCCc1nc(-c2ccc([O-])cc2)no1 ZINC000264626838 167253334 /nfs/dbraw/zinc/25/33/34/167253334.db2.gz NXDLWTMOOKLVCD-UHFFFAOYSA-N -1 3 248.282 2.410 20 0 BEADHM CC(C)O[N-]C(=O)/C=C/c1ccsc1 ZINC000295500200 167274358 /nfs/dbraw/zinc/27/43/58/167274358.db2.gz GKODLDSKGOIGPJ-ONEGZZNKSA-N -1 3 211.286 2.218 20 0 BEADHM CC(C)ON=C([O-])Nc1cc(C2CC2)ccn1 ZINC000297420271 167276661 /nfs/dbraw/zinc/27/66/61/167276661.db2.gz OBVKDJCBCYIKCB-UHFFFAOYSA-N -1 3 235.287 2.421 20 0 BEADHM CC(C)O[N-]C(=O)Nc1cc(C2CC2)ccn1 ZINC000297420271 167276663 /nfs/dbraw/zinc/27/66/63/167276663.db2.gz OBVKDJCBCYIKCB-UHFFFAOYSA-N -1 3 235.287 2.421 20 0 BEADHM CC(C)ON=C([O-])Nc1ccnn1C(C)(C)C ZINC000296845695 167277167 /nfs/dbraw/zinc/27/71/67/167277167.db2.gz LFCGTZKPCGHZIV-UHFFFAOYSA-N -1 3 240.307 2.100 20 0 BEADHM CC(C)O[N-]C(=O)Nc1ccnn1C(C)(C)C ZINC000296845695 167277169 /nfs/dbraw/zinc/27/71/69/167277169.db2.gz LFCGTZKPCGHZIV-UHFFFAOYSA-N -1 3 240.307 2.100 20 0 BEADHM CC(C)ON=C([O-])Nc1ccc(F)cc1F ZINC000293844530 167277300 /nfs/dbraw/zinc/27/73/00/167277300.db2.gz CFDYQWJYBSDUDY-UHFFFAOYSA-N -1 3 230.214 2.426 20 0 BEADHM CC(C)O[N-]C(=O)Nc1ccc(F)cc1F ZINC000293844530 167277301 /nfs/dbraw/zinc/27/73/01/167277301.db2.gz CFDYQWJYBSDUDY-UHFFFAOYSA-N -1 3 230.214 2.426 20 0 BEADHM CC(C)O[N-]C(=O)c1c(F)cccc1F ZINC000294062300 167278185 /nfs/dbraw/zinc/27/81/85/167278185.db2.gz KFGBIHYEUHKOKF-UHFFFAOYSA-N -1 3 215.199 2.035 20 0 BEADHM CC(C)O[N-]C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000295555396 167278612 /nfs/dbraw/zinc/27/86/12/167278612.db2.gz METHFDOGCDQGBG-NEPJUHHUSA-N -1 3 237.274 2.385 20 0 BEADHM CC(C)[C@@H](C)CC(=O)[N-]OCc1cccnc1 ZINC000152580337 167357605 /nfs/dbraw/zinc/35/76/05/167357605.db2.gz GJYFBAZIDFGRMM-NSHDSACASA-N -1 3 236.315 2.312 20 0 BEADHM O=C(N[C@H]1CCCC1(F)F)c1cccc([O-])c1 ZINC000398394338 410962675 /nfs/dbraw/zinc/96/26/75/410962675.db2.gz SGXBCTRGDOZVOQ-JTQLQIEISA-N -1 3 241.237 2.310 20 0 BEADHM C[C@@H](CNCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000656095304 411176097 /nfs/dbraw/zinc/17/60/97/411176097.db2.gz KSYWQJLJXYIKQI-ZETCQYMHSA-N -1 3 245.681 2.289 20 0 BEADHM C[C@H]1CC(C)(C)CN1Cc1ncccc1C(=O)[O-] ZINC000652418671 411236650 /nfs/dbraw/zinc/23/66/50/411236650.db2.gz GLOFUUFHEAGDCB-JTQLQIEISA-N -1 3 248.326 2.400 20 0 BEADHM C[C@@H](CNCc1ccsc1Cl)C(=O)[O-] ZINC000312700507 411304128 /nfs/dbraw/zinc/30/41/28/411304128.db2.gz PGZHGRNRBAVGTI-LURJTMIESA-N -1 3 233.720 2.212 20 0 BEADHM CCN(C(=O)c1ccccc1[O-])[C@@H]1CCCOC1 ZINC000402686720 411308487 /nfs/dbraw/zinc/30/84/87/411308487.db2.gz JWHJOPNVIFWOMQ-LLVKDONJSA-N -1 3 249.310 2.033 20 0 BEADHM CC1(CCNC(=O)c2cccc([O-])c2)CC1 ZINC000279615875 168020714 /nfs/dbraw/zinc/02/07/14/168020714.db2.gz CBQKYPKDEOSKLI-UHFFFAOYSA-N -1 3 219.284 2.312 20 0 BEADHM CC1(C[N-]S(=O)(=O)c2ccco2)CCCC1 ZINC000275474047 168043111 /nfs/dbraw/zinc/04/31/11/168043111.db2.gz MKFMUGBIUBEETB-UHFFFAOYSA-N -1 3 243.328 2.138 20 0 BEADHM CCC(C)(C)CNC(=O)c1ccc(O)cc1[O-] ZINC000190869888 168280385 /nfs/dbraw/zinc/28/03/85/168280385.db2.gz TYYKKOPYCPJSEJ-UHFFFAOYSA-N -1 3 237.299 2.264 20 0 BEADHM CCC(C)(C)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000192226307 168280813 /nfs/dbraw/zinc/28/08/13/168280813.db2.gz ADLJLTXHYMUHOQ-UHFFFAOYSA-N -1 3 246.314 2.124 20 0 BEADHM CCC(C)(C)NC(=O)c1cc(OC)ccc1[O-] ZINC000052076877 168296629 /nfs/dbraw/zinc/29/66/29/168296629.db2.gz IJWRAZDABKGQSA-UHFFFAOYSA-N -1 3 237.299 2.319 20 0 BEADHM CC[C@H](C)CC[N-]S(=O)(=O)c1cccs1 ZINC000657081767 411401857 /nfs/dbraw/zinc/40/18/57/411401857.db2.gz IIYFPNUZIZSSES-VIFPVBQESA-N -1 3 247.385 2.463 20 0 BEADHM CN(Cc1ncccc1[O-])C1CC(C)(C)C1 ZINC000657193468 411417027 /nfs/dbraw/zinc/41/70/27/411417027.db2.gz LLWUELYNPJWLEQ-UHFFFAOYSA-N -1 3 220.316 2.408 20 0 BEADHM CO[C@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000272798274 411435222 /nfs/dbraw/zinc/43/52/22/411435222.db2.gz YBVHRFSBAGRWIB-STQMWFEESA-N -1 3 249.310 2.080 20 0 BEADHM CCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000082719753 170292141 /nfs/dbraw/zinc/29/21/41/170292141.db2.gz MEUCBNLQSKYVTE-UHFFFAOYSA-N -1 3 208.044 2.498 20 0 BEADHM CCOC(=O)c1cccc(Br)c1[O-] ZINC000095930651 170298729 /nfs/dbraw/zinc/29/87/29/170298729.db2.gz BHEZMWZBIXYRSN-UHFFFAOYSA-N -1 3 245.072 2.331 20 0 BEADHM CCOC(=O)c1nc2cccc(C)c2[n-]1 ZINC000071009283 170307840 /nfs/dbraw/zinc/30/78/40/170307840.db2.gz FBYJJQBVBLBFFP-UHFFFAOYSA-N -1 3 204.229 2.048 20 0 BEADHM CCOC(=O)c1nc2c(cccc2C)[n-]1 ZINC000071009283 170307841 /nfs/dbraw/zinc/30/78/41/170307841.db2.gz FBYJJQBVBLBFFP-UHFFFAOYSA-N -1 3 204.229 2.048 20 0 BEADHM CCO[N-]C(=O)Nc1cccc(C)c1F ZINC000184258117 170466124 /nfs/dbraw/zinc/46/61/24/170466124.db2.gz UJLFSERGJMRJBH-UHFFFAOYSA-N -1 3 212.224 2.207 20 0 BEADHM Cc1cc(=O)[n-]c(C(C)(C)NCCCCF)n1 ZINC000660749128 411620752 /nfs/dbraw/zinc/62/07/52/411620752.db2.gz FTNOQKJMAWOGFV-UHFFFAOYSA-N -1 3 241.310 2.065 20 0 BEADHM CC(C)c1noc([N-][C@@H]2COC(C)(C)C2)n1 ZINC000664144266 411871928 /nfs/dbraw/zinc/87/19/28/411871928.db2.gz IGYBEOJYCVGWJJ-QMMMGPOBSA-N -1 3 225.292 2.172 20 0 BEADHM CC[C@@H]1CCN1C(=O)c1cc(OC)ccc1[O-] ZINC000294015259 171021376 /nfs/dbraw/zinc/02/13/76/171021376.db2.gz MXKYZVQZACSMHQ-SECBINFHSA-N -1 3 235.283 2.025 20 0 BEADHM CC[C@@H]1CCN1Cc1nc(C)ccc1[O-] ZINC000292849632 171025853 /nfs/dbraw/zinc/02/58/53/171025853.db2.gz TVYWCDACZVUDRN-SNVBAGLBSA-N -1 3 206.289 2.080 20 0 BEADHM CC[C@@](C)(O)CNCc1cccc([O-])c1Cl ZINC000293438716 171184135 /nfs/dbraw/zinc/18/41/35/171184135.db2.gz BSOPKTLFYXGLDR-GFCCVEGCSA-N -1 3 243.734 2.296 20 0 BEADHM CSc1ccc([O-])c(C(=O)NC(C)C)c1 ZINC000665053945 412072921 /nfs/dbraw/zinc/07/29/21/412072921.db2.gz ZCZQYVBIHFRNQR-UHFFFAOYSA-N -1 3 225.313 2.252 20 0 BEADHM CC[C@H](C(=O)[O-])N(C)Cc1ccc(F)cc1F ZINC000050885412 171236680 /nfs/dbraw/zinc/23/66/80/171236680.db2.gz FEUYLXXOOZTHKN-LLVKDONJSA-N -1 3 243.253 2.260 20 0 BEADHM CC[C@H](C)CN(C)C(=O)c1c([O-])cccc1O ZINC000092121605 171272007 /nfs/dbraw/zinc/27/20/07/171272007.db2.gz PDIODTTYWIYNSQ-VIFPVBQESA-N -1 3 237.299 2.216 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)CCc1ccncc1 ZINC000293875247 171289549 /nfs/dbraw/zinc/28/95/49/171289549.db2.gz YRUIEYUWFCXGCO-NSHDSACASA-N -1 3 236.315 2.108 20 0 BEADHM CC[C@H](C)CON=C([O-])Nc1cnn(CC)c1 ZINC000291803073 171289922 /nfs/dbraw/zinc/28/99/22/171289922.db2.gz PTZCTRZPGUTPHU-VIFPVBQESA-N -1 3 240.307 2.002 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)Nc1cnn(CC)c1 ZINC000291803073 171289923 /nfs/dbraw/zinc/28/99/23/171289923.db2.gz PTZCTRZPGUTPHU-VIFPVBQESA-N -1 3 240.307 2.002 20 0 BEADHM CC[C@H](C)OCC(=O)[N-]c1onc(C)c1C ZINC000269883294 171355214 /nfs/dbraw/zinc/35/52/14/171355214.db2.gz ZYMFURCQEVFGOD-ZETCQYMHSA-N -1 3 226.276 2.045 20 0 BEADHM CO[C@H]1CC[C@H](C(=O)Nc2ccc(C)cc2[O-])C1 ZINC000665203120 412136655 /nfs/dbraw/zinc/13/66/55/412136655.db2.gz XVSUHVYPVUFSOZ-QWRGUYRKSA-N -1 3 249.310 2.454 20 0 BEADHM CCc1ccc(CNCC2(C(=O)[O-])CCC2)o1 ZINC000665354607 412284782 /nfs/dbraw/zinc/28/47/82/412284782.db2.gz UGXKQAPZQZFRAH-UHFFFAOYSA-N -1 3 237.299 2.187 20 0 BEADHM CCc1ccc(C(=O)N(C)C2CC2)c([O-])c1 ZINC000276124168 171783575 /nfs/dbraw/zinc/78/35/75/171783575.db2.gz ZCUGEPSXCRJSLS-UHFFFAOYSA-N -1 3 219.284 2.189 20 0 BEADHM CCCn1nccc1C[N-]c1nc(C2CC2)no1 ZINC000663257250 412402319 /nfs/dbraw/zinc/40/23/19/412402319.db2.gz OYGPCTGPHQMNAC-UHFFFAOYSA-N -1 3 247.302 2.166 20 0 BEADHM CCc1cnc(NC([O-])=NOCC2CC2)s1 ZINC000292837663 171918552 /nfs/dbraw/zinc/91/85/52/171918552.db2.gz UQGNZLZFHCMXBU-UHFFFAOYSA-N -1 3 241.316 2.169 20 0 BEADHM CCc1cnc(NC(=O)[N-]OCC2CC2)s1 ZINC000292837663 171918558 /nfs/dbraw/zinc/91/85/58/171918558.db2.gz UQGNZLZFHCMXBU-UHFFFAOYSA-N -1 3 241.316 2.169 20 0 BEADHM CCc1ncsc1NC([O-])=NOCC(C)C ZINC000269737583 172036811 /nfs/dbraw/zinc/03/68/11/172036811.db2.gz ZGWJJVMKTHMOBX-UHFFFAOYSA-N -1 3 243.332 2.415 20 0 BEADHM CCc1ncsc1NC(=O)[N-]OCC(C)C ZINC000269737583 172036814 /nfs/dbraw/zinc/03/68/14/172036814.db2.gz ZGWJJVMKTHMOBX-UHFFFAOYSA-N -1 3 243.332 2.415 20 0 BEADHM CCn1ccnc1C(=O)Nc1cccc([O-])c1F ZINC000336100614 172217941 /nfs/dbraw/zinc/21/79/41/172217941.db2.gz YSKJLOMIGDZZJN-UHFFFAOYSA-N -1 3 249.245 2.000 20 0 BEADHM COCC(C)(C)c1nc(-c2ccc([O-])cc2)no1 ZINC000270069770 174082826 /nfs/dbraw/zinc/08/28/26/174082826.db2.gz XDYRPENWWJAMAC-UHFFFAOYSA-N -1 3 248.282 2.366 20 0 BEADHM COCCCNCc1cccc([O-])c1Cl ZINC000294187934 174247965 /nfs/dbraw/zinc/24/79/65/174247965.db2.gz QUNNULAORGVJSB-UHFFFAOYSA-N -1 3 229.707 2.172 20 0 BEADHM COCCCO[N-]C(=O)Nc1ccccc1C ZINC000285621219 174254781 /nfs/dbraw/zinc/25/47/81/174254781.db2.gz KTDRERKLNQUEQV-UHFFFAOYSA-N -1 3 238.287 2.085 20 0 BEADHM CO[C@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000272798267 174875616 /nfs/dbraw/zinc/87/56/16/174875616.db2.gz YBVHRFSBAGRWIB-OLZOCXBDSA-N -1 3 249.310 2.080 20 0 BEADHM COc1cc(C(=O)N2[C@H](C)CC[C@H]2C)ccc1[O-] ZINC000336405632 174945703 /nfs/dbraw/zinc/94/57/03/174945703.db2.gz NTIDYGUJFLYCIP-NXEZZACHSA-N -1 3 249.310 2.414 20 0 BEADHM COc1ccc(C(=O)N2C[C@H](C)[C@H](C)C2)c([O-])c1 ZINC000075412181 175057862 /nfs/dbraw/zinc/05/78/62/175057862.db2.gz LFQZUQVTKMMKJP-AOOOYVTPSA-N -1 3 249.310 2.129 20 0 BEADHM COc1ccc(Cl)cc1C[N-]C(=O)C(F)F ZINC000279446270 175120217 /nfs/dbraw/zinc/12/02/17/175120217.db2.gz HXDTVTGXDYLXEM-UHFFFAOYSA-N -1 3 249.644 2.230 20 0 BEADHM COc1ccc(F)cc1[C@@H](C)[N-]C(=O)C(F)F ZINC000234878603 175132586 /nfs/dbraw/zinc/13/25/86/175132586.db2.gz KQBLPEQDZOWQRK-ZCFIWIBFSA-N -1 3 247.216 2.277 20 0 BEADHM COc1ccc(NC(=O)[C@H](C)C2CC2)c([O-])c1 ZINC000135425073 175146950 /nfs/dbraw/zinc/14/69/50/175146950.db2.gz HVOPQUKACYEULE-MRVPVSSYSA-N -1 3 235.283 2.385 20 0 BEADHM COc1cccc(C(=O)N(C)CCC2CC2)c1[O-] ZINC000156291305 175242936 /nfs/dbraw/zinc/24/29/36/175242936.db2.gz ZLULAATUPCIWJG-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM COc1cccc(C(=O)N2CCCCC2)c1[O-] ZINC000019837686 175243206 /nfs/dbraw/zinc/24/32/06/175243206.db2.gz OYDAZOHSGUPUFC-UHFFFAOYSA-N -1 3 235.283 2.027 20 0 BEADHM COc1cccc(C(=O)N[C@H](C)C(C)C)c1[O-] ZINC000020304737 175245940 /nfs/dbraw/zinc/24/59/40/175245940.db2.gz RCXBLXRJWIDUSF-SECBINFHSA-N -1 3 237.299 2.175 20 0 BEADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCCC1 ZINC000011800043 176013268 /nfs/dbraw/zinc/01/32/68/176013268.db2.gz SCRFMXABCOKJFS-QMMMGPOBSA-N -1 3 209.245 2.135 20 0 BEADHM C[C@@H]1CC(NC(=O)c2ccccc2[O-])C[C@@H](C)O1 ZINC000120442587 176054367 /nfs/dbraw/zinc/05/43/67/176054367.db2.gz ZUFBEQYGURWIEZ-NXEZZACHSA-N -1 3 249.310 2.078 20 0 BEADHM C[C@@H]1CCC[C@@]1(C)C(=O)NCc1ncccc1[O-] ZINC000336272834 176133689 /nfs/dbraw/zinc/13/36/89/176133689.db2.gz DDTAFXDBHQRUCH-QMTHXVAHSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@@H]1CCC[C@H](C(=O)NCc2ncccc2[O-])C1 ZINC000336423084 176135767 /nfs/dbraw/zinc/13/57/67/176135767.db2.gz MBTTZSMMUSMGLU-MNOVXSKESA-N -1 3 248.326 2.230 20 0 BEADHM C[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC000177116001 176163135 /nfs/dbraw/zinc/16/31/35/176163135.db2.gz RTOYZPXSCPOKBC-NXEZZACHSA-N -1 3 219.284 2.263 20 0 BEADHM C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])C[C@@H]1C ZINC000182964748 176163293 /nfs/dbraw/zinc/16/32/93/176163293.db2.gz LLTYMNPJXSKMLA-ZJUUUORDSA-N -1 3 249.310 2.216 20 0 BEADHM C[C@H]1CC[C@H](NC(=O)c2c([O-])cccc2O)CC1 ZINC000180852957 176210976 /nfs/dbraw/zinc/21/09/76/176210976.db2.gz LRVNKAXXZFFVII-AOOOYVTPSA-N -1 3 249.310 2.406 20 0 BEADHM C[C@@H]1CC[C@H](CC(=O)NCc2ncccc2[O-])C1 ZINC000352518176 176222884 /nfs/dbraw/zinc/22/28/84/176222884.db2.gz VLPWYNHRRFZBCN-MNOVXSKESA-N -1 3 248.326 2.230 20 0 BEADHM C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])C[C@H]1C ZINC000182964787 176261005 /nfs/dbraw/zinc/26/10/05/176261005.db2.gz LLTYMNPJXSKMLA-NXEZZACHSA-N -1 3 249.310 2.216 20 0 BEADHM C[C@@H]1C[C@@H](C)CN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000011962284 176361377 /nfs/dbraw/zinc/36/13/77/176361377.db2.gz PNIBDUYWMFUQJM-NXEZZACHSA-N -1 3 237.299 2.456 20 0 BEADHM C[C@H](c1ccc(F)cc1F)N(C)CC(=O)[O-] ZINC000082717784 177034373 /nfs/dbraw/zinc/03/43/73/177034373.db2.gz GWHHQNPPELURBQ-SSDOTTSWSA-N -1 3 229.226 2.042 20 0 BEADHM C[C@H]1CCC[C@H](C)N1Cc1oncc1C(=O)[O-] ZINC000077055664 177132690 /nfs/dbraw/zinc/13/26/90/177132690.db2.gz LPDIRIRZIIXOGK-IUCAKERBSA-N -1 3 238.287 2.136 20 0 BEADHM C[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@@H](C)C1 ZINC000120372287 177153938 /nfs/dbraw/zinc/15/39/38/177153938.db2.gz YOIHGNKGDLPCJE-UWVGGRQHSA-N -1 3 249.310 2.358 20 0 BEADHM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000175448013 177183432 /nfs/dbraw/zinc/18/34/32/177183432.db2.gz WCPPPJCKPQGKGO-ZJUUUORDSA-N -1 3 249.310 2.358 20 0 BEADHM C[C@H]1C[C@H](C)CN(Cc2cc(C(=O)[O-])co2)C1 ZINC000051330173 177358881 /nfs/dbraw/zinc/35/88/81/177358881.db2.gz JMVXQNIPDFBKBM-UWVGGRQHSA-N -1 3 237.299 2.456 20 0 BEADHM C[C@H]1C[C@H](C)N1C(=O)Cc1ccc([O-])c(F)c1 ZINC000336263323 177359391 /nfs/dbraw/zinc/35/93/91/177359391.db2.gz CWZPJYCQXBWWQM-IUCAKERBSA-N -1 3 237.274 2.083 20 0 BEADHM C[C@H]1Oc2ccccc2[C@@H]1[N-]C(=O)C(C)(F)F ZINC000289661265 177411486 /nfs/dbraw/zinc/41/14/86/177411486.db2.gz FOFACLXPCWICJG-GMSGAONNSA-N -1 3 241.237 2.280 20 0 BEADHM C[C@@H]1CC[C@H](C)N1C(=O)/C=C\c1cncc([O-])c1 ZINC000492470182 226004066 /nfs/dbraw/zinc/00/40/66/226004066.db2.gz FFPNFEUKKJMEFU-UORZZXJBSA-N -1 3 246.310 2.200 20 0 BEADHM O=C(/C=C/c1cscn1)[N-]OCCC1CC1 ZINC000492905053 226081223 /nfs/dbraw/zinc/08/12/23/226081223.db2.gz ZQEDTVXOLQLWLX-ONEGZZNKSA-N -1 3 238.312 2.004 20 0 BEADHM Cc1ncccc1/C=C/C(=O)[N-]OCC(C)C ZINC000492966960 226094695 /nfs/dbraw/zinc/09/46/95/226094695.db2.gz XGLIUUFHSXLQDB-VOTSOKGWSA-N -1 3 234.299 2.107 20 0 BEADHM CN(C(=O)/C=C\c1cncc([O-])c1)[C@@H]1CC1(C)C ZINC000493369917 226197875 /nfs/dbraw/zinc/19/78/75/226197875.db2.gz OMAHLJHZINSVNK-QMAVJUDZSA-N -1 3 246.310 2.057 20 0 BEADHM Cc1cccc([O-])c1NC(=O)/C=C\[C@H]1CCOC1 ZINC000493635335 226246933 /nfs/dbraw/zinc/24/69/33/226246933.db2.gz VCOULGHSIKAAMV-GZTOBOFZSA-N -1 3 247.294 2.232 20 0 BEADHM Cc1cccnc1/C=C/C(=O)[N-]OC1CCC1 ZINC000493728612 226251500 /nfs/dbraw/zinc/25/15/00/226251500.db2.gz SFCGUDMMRHIUGB-BQYQJAHWSA-N -1 3 232.283 2.004 20 0 BEADHM C[C@H](C(=O)[N-]C1(C(F)(F)F)CC1)C(F)(F)F ZINC000675038163 487664263 /nfs/dbraw/zinc/66/42/63/487664263.db2.gz BDGXSBGNIOWSTE-SCSAIBSYSA-N -1 3 249.154 2.396 20 0 BEADHM C[C@@H]1CC[C@H](C(=O)N=c2cc3ccccn3[n-]2)C1 ZINC000557539343 322939138 /nfs/dbraw/zinc/93/91/38/322939138.db2.gz WQCQILSAZQLREX-MNOVXSKESA-N -1 3 243.310 2.131 20 0 BEADHM CCCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000087612151 487670428 /nfs/dbraw/zinc/67/04/28/487670428.db2.gz PQIAXELTRBSSLR-ZDUSSCGKSA-N -1 3 233.311 2.471 20 0 BEADHM CC[C@@H](C)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612454 487670867 /nfs/dbraw/zinc/67/08/67/487670867.db2.gz FMYCSJWRUWPSRI-ZWNOBZJWSA-N -1 3 233.311 2.469 20 0 BEADHM CC(C)CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612202 487670893 /nfs/dbraw/zinc/67/08/93/487670893.db2.gz MFGUWIKDZHCWEE-CYBMUJFWSA-N -1 3 233.311 2.326 20 0 BEADHM CC[C@H](NCc1ccccc1Cl)C(=O)[O-] ZINC000075423867 487682170 /nfs/dbraw/zinc/68/21/70/487682170.db2.gz RJBHGEWATIZCBX-JTQLQIEISA-N -1 3 227.691 2.293 20 0 BEADHM CCc1cc(=O)[n-]c(CN(C)C[C@@H](C)CC)n1 ZINC000176881436 487687120 /nfs/dbraw/zinc/68/71/20/487687120.db2.gz FFCDCPMUJSLSOI-JTQLQIEISA-N -1 3 237.347 2.223 20 0 BEADHM Cc1cncc(CN2CCCC[C@H]2CC(=O)[O-])c1 ZINC000228612585 487689617 /nfs/dbraw/zinc/68/96/17/487689617.db2.gz IUEQSWONZVPGBU-ZDUSSCGKSA-N -1 3 248.326 2.219 20 0 BEADHM CC[C@H](C(=O)[O-])N(C)Cc1cccc(C)c1F ZINC000384593690 487728163 /nfs/dbraw/zinc/72/81/63/487728163.db2.gz DUMCAHRRCLVZNQ-LLVKDONJSA-N -1 3 239.290 2.429 20 0 BEADHM O=C([O-])[C@H]1CN(CCC2CC2)Cc2ccccc21 ZINC000088491630 487729701 /nfs/dbraw/zinc/72/97/01/487729701.db2.gz QMUDLVJOPLYQQA-AWEZNQCLSA-N -1 3 245.322 2.471 20 0 BEADHM CC(C)CCN(C)Cc1ccoc1C(=O)[O-] ZINC000042457327 487749999 /nfs/dbraw/zinc/74/99/99/487749999.db2.gz WQHODBCVCFGRHI-UHFFFAOYSA-N -1 3 225.288 2.456 20 0 BEADHM [O-]c1coc2cc(OC[C@H]3CCCOC3)ccc12 ZINC000666189639 487752165 /nfs/dbraw/zinc/75/21/65/487752165.db2.gz QMGWQQFKABRBKF-JTQLQIEISA-N -1 3 248.278 2.067 20 0 BEADHM CCC(CC)(CC)C(=O)[N-]OCCCOC ZINC000805044466 585262300 /nfs/dbraw/zinc/26/23/00/585262300.db2.gz UAVWPNRYZYISSM-UHFFFAOYSA-N -1 3 231.336 2.287 20 0 BEADHM CCC(CC)(CC)C(=O)[N-]OCC(C)(C)O ZINC000839738152 585337752 /nfs/dbraw/zinc/33/77/52/585337752.db2.gz BULNWIWGHFGBMT-UHFFFAOYSA-N -1 3 231.336 2.022 20 0 BEADHM CC1(C)CC[C@@H]1NC(=O)/C=C/c1cncc([O-])c1 ZINC000493535443 487822738 /nfs/dbraw/zinc/82/27/38/487822738.db2.gz YQDXJYRFQRCEER-PCAWENJQSA-N -1 3 246.310 2.105 20 0 BEADHM CC(C)(C[N-]C(=O)C(C)(F)F)C(F)(F)F ZINC000808470128 586475627 /nfs/dbraw/zinc/47/56/27/586475627.db2.gz HCLJHAXKDCMAKM-UHFFFAOYSA-N -1 3 233.180 2.346 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)C(C)(C)CSC ZINC000816978859 586777702 /nfs/dbraw/zinc/77/77/02/586777702.db2.gz CLOYPPJRZQXMIB-VIFPVBQESA-N -1 3 233.377 2.470 20 0 BEADHM CC(=O)[N-]OCc1c(C)cccc1Cl ZINC000842026060 587990135 /nfs/dbraw/zinc/99/01/35/587990135.db2.gz DWQZPOFTLSBZQM-UHFFFAOYSA-N -1 3 213.664 2.216 20 0 BEADHM CCCC(C)(C)[N-]S(=O)(=O)c1cscn1 ZINC000564906751 322956409 /nfs/dbraw/zinc/95/64/09/322956409.db2.gz WMYYREGQDVCRFU-UHFFFAOYSA-N -1 3 248.373 2.000 20 0 BEADHM CC1(C(=O)[O-])CCN(Cc2cccc(O)c2)CC1 ZINC000086776589 487880474 /nfs/dbraw/zinc/88/04/74/487880474.db2.gz MMMLSJJPQSDZJI-UHFFFAOYSA-N -1 3 249.310 2.079 20 0 BEADHM CC1(C)OC[C@H]2C[C@]21C(=O)Nc1ccccc1[O-] ZINC000666921502 487882708 /nfs/dbraw/zinc/88/27/08/487882708.db2.gz XAMBCRJCSORMJI-YMTOWFKASA-N -1 3 247.294 2.146 20 0 BEADHM CC(C)CCN(C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762355 487920900 /nfs/dbraw/zinc/92/09/00/487920900.db2.gz RWWIPVASHMXSSZ-UHFFFAOYSA-N -1 3 236.315 2.258 20 0 BEADHM CN(Cc1ccsc1)CC1(CC(=O)[O-])CC1 ZINC000083854688 487947746 /nfs/dbraw/zinc/94/77/46/487947746.db2.gz LGMNRFVNMVAIDD-UHFFFAOYSA-N -1 3 239.340 2.435 20 0 BEADHM CCc1cccc(C(=O)NCC(C)C)c1[O-] ZINC000531117254 322997739 /nfs/dbraw/zinc/99/77/39/322997739.db2.gz UTGJFXNQQGHTDS-UHFFFAOYSA-N -1 3 221.300 2.340 20 0 BEADHM COc1cc(C(=O)N(C)[C@H](C)C2CC2)ccc1[O-] ZINC000569955934 323045460 /nfs/dbraw/zinc/04/54/60/323045460.db2.gz BPXBQEIMORSSAI-SECBINFHSA-N -1 3 249.310 2.271 20 0 BEADHM C[C@H]1c2ccccc2CCN1CC1(C(=O)[O-])CC1 ZINC000569981581 323046455 /nfs/dbraw/zinc/04/64/55/323046455.db2.gz KBBPBOHPUUGZAE-NSHDSACASA-N -1 3 245.322 2.471 20 0 BEADHM CC[C@H]1CCN(C(=O)/C=C/c2cncc([O-])c2)C1 ZINC000182094350 323081885 /nfs/dbraw/zinc/08/18/85/323081885.db2.gz CFBOACJDSCKPMH-UFFNRZRYSA-N -1 3 246.310 2.059 20 0 BEADHM Cc1ccc(C(=O)NCCC(F)(F)F)c([O-])c1 ZINC000063101316 323099036 /nfs/dbraw/zinc/09/90/36/323099036.db2.gz PZVAEIUOCCWWTB-UHFFFAOYSA-N -1 3 247.216 2.383 20 0 BEADHM CC(C)N(Cc1ccc(C(=O)[O-])cn1)C1CC1 ZINC000563279120 323107929 /nfs/dbraw/zinc/10/79/29/323107929.db2.gz OYFASKRLHNTSDD-UHFFFAOYSA-N -1 3 234.299 2.153 20 0 BEADHM CCc1cccc(C(=O)NC[C@H]2CC23CC3)c1[O-] ZINC000563517796 323128849 /nfs/dbraw/zinc/12/88/49/323128849.db2.gz HGGLRWAHQWOHLW-LLVKDONJSA-N -1 3 245.322 2.485 20 0 BEADHM C[C@@H]1CCN([C@H](C(=O)[O-])c2ccsc2)C1 ZINC000563543383 323129612 /nfs/dbraw/zinc/12/96/12/323129612.db2.gz USAMEFCIDVJQSF-SCZZXKLOSA-N -1 3 225.313 2.216 20 0 BEADHM CCCN(C)Cc1csc(C(=O)[O-])c1 ZINC000571410617 323144112 /nfs/dbraw/zinc/14/41/12/323144112.db2.gz VAUVFLHXYVNTQB-UHFFFAOYSA-N -1 3 213.302 2.288 20 0 BEADHM Cc1ccc2c(c1)CN(CCCC(=O)[O-])CCO2 ZINC000563866156 323181725 /nfs/dbraw/zinc/18/17/25/323181725.db2.gz KUKSTTFLTSECBP-UHFFFAOYSA-N -1 3 249.310 2.054 20 0 BEADHM COC[C@H](C)CC(=O)Nc1cccc([O-])c1F ZINC000535657335 323187742 /nfs/dbraw/zinc/18/77/42/323187742.db2.gz BTNCSJNDWREESF-MRVPVSSYSA-N -1 3 241.262 2.142 20 0 BEADHM C[C@@H]1OCC[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000094178764 323188589 /nfs/dbraw/zinc/18/85/89/323188589.db2.gz DUFXAGBNKDZTLX-KWQFWETISA-N -1 3 246.266 2.335 20 0 BEADHM O=C(NC1(C2CC2)CC1)c1ccccc1[O-] ZINC000536733658 323202435 /nfs/dbraw/zinc/20/24/35/323202435.db2.gz OCOQQNLRDGUBNI-UHFFFAOYSA-N -1 3 217.268 2.065 20 0 BEADHM Cc1ccc(C(=O)Nc2ccc(F)cn2)c([O-])c1 ZINC000103015760 323218841 /nfs/dbraw/zinc/21/88/41/323218841.db2.gz UVVWDQQTJSPPCS-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM CCc1cccc(C(=O)N[C@@H]2C[C@H]2CC)c1[O-] ZINC000571742559 323477091 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Cc1cc(COC(=O)c2ccc([O-])c(C)c2)no1 ZINC000778853425 585741733 /nfs/dbraw/zinc/74/17/33/585741733.db2.gz QDVVPTAKYMZXRP-UHFFFAOYSA-N -1 3 247.250 2.354 20 0 BEADHM O=C(Cc1ccncc1)[N-]OC1CCCCC1 ZINC000779321417 585750989 /nfs/dbraw/zinc/75/09/89/585750989.db2.gz ADGMNAOKQOWWCD-UHFFFAOYSA-N -1 3 234.299 2.005 20 0 BEADHM O=C(CC[C@H]1CCOC1)[N-]OC1CCCCC1 ZINC000779322748 585751165 /nfs/dbraw/zinc/75/11/65/585751165.db2.gz BVCSLDLBGCWTPM-NSHDSACASA-N -1 3 241.331 2.184 20 0 BEADHM O=C(CCC1CC1)[N-]OCCC(F)(F)F ZINC000779326848 585751197 /nfs/dbraw/zinc/75/11/97/585751197.db2.gz YCMWMORBMBWNMW-UHFFFAOYSA-N -1 3 225.210 2.177 20 0 BEADHM CCC(C)=C(C)C(=O)Nc1nnc(SC)[n-]1 ZINC000780920922 585786182 /nfs/dbraw/zinc/78/61/82/585786182.db2.gz MNWSICCDQAVVEQ-SREVYHEPSA-N -1 3 240.332 2.212 20 0 BEADHM CC/C(C)=C(/C)C(=O)Nc1nc(SC)n[n-]1 ZINC000780920922 585786183 /nfs/dbraw/zinc/78/61/83/585786183.db2.gz MNWSICCDQAVVEQ-SREVYHEPSA-N -1 3 240.332 2.212 20 0 BEADHM CCC(C)=C(C)C(=O)Nc1n[n-]c(SC)n1 ZINC000780920922 585786184 /nfs/dbraw/zinc/78/61/84/585786184.db2.gz MNWSICCDQAVVEQ-SREVYHEPSA-N -1 3 240.332 2.212 20 0 BEADHM COc1ccnc(NC(=O)c2cccc([O-])c2)c1 ZINC000780998303 585788444 /nfs/dbraw/zinc/78/84/44/585788444.db2.gz KLXNKVQXXCKEEE-UHFFFAOYSA-N -1 3 244.250 2.048 20 0 BEADHM CC1(C)CC[C@H](C(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000781960691 585806099 /nfs/dbraw/zinc/80/60/99/585806099.db2.gz KISBSTUZPUZZEE-QWRGUYRKSA-N -1 3 241.331 2.387 20 0 BEADHM Cc1nc(F)ccc1C=Cc1nccc(=O)[n-]1 ZINC000782341449 585815678 /nfs/dbraw/zinc/81/56/78/585815678.db2.gz JXBXPYFMDQUECP-HWKANZROSA-N -1 3 231.230 2.195 20 0 BEADHM CO[C@H](C)COC(=O)c1cccc(Cl)c1[O-] ZINC000782359683 585816386 /nfs/dbraw/zinc/81/63/86/585816386.db2.gz UWKOGUIABUPSLA-SSDOTTSWSA-N -1 3 244.674 2.237 20 0 BEADHM COCC[C@H](C)OC(=O)c1ccc(F)cc1[O-] ZINC000784325695 585855980 /nfs/dbraw/zinc/85/59/80/585855980.db2.gz SUJKWNLUCGVHJM-QMMMGPOBSA-N -1 3 242.246 2.113 20 0 BEADHM CC(C)[C@@H](F)C(=O)Nc1ccc([O-])cc1F ZINC000784461842 585860883 /nfs/dbraw/zinc/86/08/83/585860883.db2.gz DHRHRPKOSMBKPD-SNVBAGLBSA-N -1 3 229.226 2.464 20 0 BEADHM Cc1noc([N-]C(=O)[C@@H](F)C(C)C)c1C ZINC000784782340 585866273 /nfs/dbraw/zinc/86/62/73/585866273.db2.gz CPGRUCZDJDUOHF-QMMMGPOBSA-N -1 3 214.240 2.224 20 0 BEADHM COC[C@@H](C)OC(=O)c1c(C)[n-]nc1C(C)C ZINC000784879729 585867404 /nfs/dbraw/zinc/86/74/04/585867404.db2.gz MEXRMXXKKRCUCQ-MRVPVSSYSA-N -1 3 240.303 2.033 20 0 BEADHM COC[C@@H](C)OC(=O)c1c(C)n[n-]c1C(C)C ZINC000784879729 585867405 /nfs/dbraw/zinc/86/74/05/585867405.db2.gz MEXRMXXKKRCUCQ-MRVPVSSYSA-N -1 3 240.303 2.033 20 0 BEADHM COc1ccc(NC(=O)[C@@H]2CCC=CO2)c([O-])c1 ZINC000785426801 585873422 /nfs/dbraw/zinc/87/34/22/585873422.db2.gz KKXRHTUKHGKJOO-LBPRGKRZSA-N -1 3 249.266 2.032 20 0 BEADHM O=C(OCC[C@H]1CCCO1)c1cc2occc2[n-]1 ZINC000786032024 585885784 /nfs/dbraw/zinc/88/57/84/585885784.db2.gz XGRMBIDTVDRBHG-SECBINFHSA-N -1 3 249.266 2.487 20 0 BEADHM CCCCC[C@@](C)(CC)C(=O)[N-]OCCO ZINC000787284741 585905030 /nfs/dbraw/zinc/90/50/30/585905030.db2.gz WWTXLZYXYFVYDT-GFCCVEGCSA-N -1 3 231.336 2.023 20 0 BEADHM O=C([N-]c1cccc2ocnc21)c1ccon1 ZINC000791001748 585971979 /nfs/dbraw/zinc/97/19/79/585971979.db2.gz DKYQMDKXOUTFHO-UHFFFAOYSA-N -1 3 229.195 2.068 20 0 BEADHM Cc1ccnc(COC(=O)c2ccc([O-])cc2)c1 ZINC000791267328 585975749 /nfs/dbraw/zinc/97/57/49/585975749.db2.gz WFYVFSZNIKTFMX-UHFFFAOYSA-N -1 3 243.262 2.453 20 0 BEADHM COC/C=C\C(=O)Nc1cc(Cl)ccc1[O-] ZINC000791392057 585980182 /nfs/dbraw/zinc/98/01/82/585980182.db2.gz QZTGSQOHINYFBE-IHWYPQMZSA-N -1 3 241.674 2.187 20 0 BEADHM C[C@H]([N-]C(=O)C(F)F)c1ccc(Cl)cn1 ZINC000792449613 586000975 /nfs/dbraw/zinc/00/09/75/586000975.db2.gz YDQMFXMQGXGYPM-YFKPBYRVSA-N -1 3 234.633 2.177 20 0 BEADHM CCC[C@](C)(CC)C(=O)[N-]OC1CCOCC1 ZINC000793844696 586027731 /nfs/dbraw/zinc/02/77/31/586027731.db2.gz REMQGKIBQQNETN-ZDUSSCGKSA-N -1 3 243.347 2.430 20 0 BEADHM CCC[C@](C)(CC)C(=O)[N-]OC[C@@H]1CCOC1 ZINC000793939336 586028945 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2.206 20 0 BEADHM CC(C)OCCO[N-]C(=O)C(C)(C)C(C)C ZINC000812806534 586587149 /nfs/dbraw/zinc/58/71/49/586587149.db2.gz HGYHHXRWNIVIHG-UHFFFAOYSA-N -1 3 231.336 2.141 20 0 BEADHM O=C([N-]c1cnsn1)c1cc(F)ccc1F ZINC000813374935 586601359 /nfs/dbraw/zinc/60/13/59/586601359.db2.gz BRGJHDGRROFCKI-UHFFFAOYSA-N -1 3 241.222 2.069 20 0 BEADHM O=C([N-]c1cnsn1)c1c(F)cccc1F ZINC000813375122 586601425 /nfs/dbraw/zinc/60/14/25/586601425.db2.gz NVGPJBDBZQAWMG-UHFFFAOYSA-N -1 3 241.222 2.069 20 0 BEADHM CC[C@H](C)CON=C([O-])Nc1ccccn1 ZINC000813826499 586607358 /nfs/dbraw/zinc/60/73/58/586607358.db2.gz CHMWOPQJZOXFQF-VIFPVBQESA-N -1 3 223.276 2.181 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)Nc1ccccn1 ZINC000813826499 586607359 /nfs/dbraw/zinc/60/73/59/586607359.db2.gz CHMWOPQJZOXFQF-VIFPVBQESA-N -1 3 223.276 2.181 20 0 BEADHM COC(=O)c1cc(C(=O)Oc2ccccc2)c[n-]1 ZINC000814259056 586620613 /nfs/dbraw/zinc/62/06/13/586620613.db2.gz XBDNNNQKYQJLEY-UHFFFAOYSA-N -1 3 245.234 2.021 20 0 BEADHM Cc1c(N)cccc1NC(=O)[N-]OCC1CC1 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586851245 /nfs/dbraw/zinc/85/12/45/586851245.db2.gz XPHVRUVFQYGADB-CABZTGNLSA-N -1 3 248.326 2.283 20 0 BEADHM CC[C@H](NCCC(=O)[O-])c1cc(F)ccc1F ZINC000818143816 586877314 /nfs/dbraw/zinc/87/73/14/586877314.db2.gz XSUWFCBTDPNDIJ-NSHDSACASA-N -1 3 243.253 2.480 20 0 BEADHM CC[C@@H](NCCC(=O)[O-])c1ccc(F)cc1F ZINC000818143691 586877499 /nfs/dbraw/zinc/87/74/99/586877499.db2.gz MELSQKNEYZXFBJ-LLVKDONJSA-N -1 3 243.253 2.480 20 0 BEADHM C[C@@H]1CCCC[C@@H]1C(=O)[N-]C1=NCCS1 ZINC000819031583 586925653 /nfs/dbraw/zinc/92/56/53/586925653.db2.gz SSRSSIUEFLBDBR-BDAKNGLRSA-N -1 3 226.345 2.032 20 0 BEADHM CCCC[C@@H](C)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819777131 586992297 /nfs/dbraw/zinc/99/22/97/586992297.db2.gz HRTIMDYYWPYXCW-BDAKNGLRSA-N -1 3 228.361 2.420 20 0 BEADHM CC[C@@H](C)CCC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819777467 586992986 /nfs/dbraw/zinc/99/29/86/586992986.db2.gz JIBIOJOMHHUKKF-RKDXNWHRSA-N -1 3 228.361 2.420 20 0 BEADHM CC(C)C[C@H](C)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819778064 586993312 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HKPDYIUBUNGKPQ-UHFFFAOYSA-N -1 3 238.287 2.146 20 0 BEADHM Cc1[n-]n(Cc2ccc(Cl)cc2)c(=O)c1F ZINC000871953913 589842848 /nfs/dbraw/zinc/84/28/48/589842848.db2.gz IGWOGKQDJYYUEA-JTQLQIEISA-N -1 3 240.665 2.396 20 0 BEADHM Cc1[n-]n([C@@H]2CCCC2(C)C)c(=O)c1F ZINC000871959525 589845096 /nfs/dbraw/zinc/84/50/96/589845096.db2.gz NHRMITFOSQJBSX-BDAKNGLRSA-N -1 3 212.268 2.121 20 0 BEADHM C[C@@H](NCc1ccnn1C)c1cccc([O-])c1F ZINC000872020500 589856893 /nfs/dbraw/zinc/85/68/93/589856893.db2.gz HNEPVXHNVNAHHV-SECBINFHSA-N -1 3 249.289 2.116 20 0 BEADHM C[C@H](NCc1ccnn1C)c1cccc([O-])c1F ZINC000872020501 589856957 /nfs/dbraw/zinc/85/69/57/589856957.db2.gz HNEPVXHNVNAHHV-VIFPVBQESA-N -1 3 249.289 2.116 20 0 BEADHM CCC[C@@H](O)CN[C@H](C)c1cccc([O-])c1F ZINC000872034722 589858661 /nfs/dbraw/zinc/85/86/61/589858661.db2.gz IPTVVIOZQOGLMZ-NXEZZACHSA-N -1 3 241.306 2.343 20 0 BEADHM CO[C@@H](C)CN[C@H](C)c1cccc([O-])c1F ZINC000872063915 589862645 /nfs/dbraw/zinc/86/26/45/589862645.db2.gz AGDCVUZTEHUDRK-DTWKUNHWSA-N -1 3 227.279 2.217 20 0 BEADHM C[C@@H](NCCOCCF)c1cccc([O-])c1F ZINC000872089255 589867877 /nfs/dbraw/zinc/86/78/77/589867877.db2.gz VVSDYGHEHPONPQ-SECBINFHSA-N -1 3 245.269 2.168 20 0 BEADHM CC[C@H](C)Nc1cc(Cl)n[n-]c1=O ZINC000872386157 589929960 /nfs/dbraw/zinc/92/99/60/589929960.db2.gz CJPXRRQIRDDDPT-YFKPBYRVSA-N -1 3 201.657 2.046 20 0 BEADHM C[C@@H]1C[C@@H](C)CN(c2cc(Cl)n[n-]c2=O)C1 ZINC000872387837 589930422 /nfs/dbraw/zinc/93/04/22/589930422.db2.gz WRSZWGUDHNUTOY-HTQZYQBOSA-N -1 3 241.722 2.318 20 0 BEADHM CC(C)OCCCNc1cc(Cl)n[n-]c1=O ZINC000872388044 589930557 /nfs/dbraw/zinc/93/05/57/589930557.db2.gz AIZUHRXDRPENNN-UHFFFAOYSA-N -1 3 245.710 2.063 20 0 BEADHM CCCCNc1cc(Cl)n[n-]c1=O ZINC000872387495 589930687 /nfs/dbraw/zinc/93/06/87/589930687.db2.gz RIXLKJJQVLGKBA-UHFFFAOYSA-N -1 3 201.657 2.048 20 0 BEADHM CC[C@H]1CCCN1c1cc(Cl)n[n-]c1=O ZINC000872441138 589939737 /nfs/dbraw/zinc/93/97/37/589939737.db2.gz JWVZPJIZRLQUKR-ZETCQYMHSA-N -1 3 227.695 2.214 20 0 BEADHM CSCCCNc1cc(Cl)n[n-]c1=O ZINC000872458517 589940995 /nfs/dbraw/zinc/94/09/95/589940995.db2.gz KLZGHVCOXJLBLT-UHFFFAOYSA-N -1 3 233.724 2.001 20 0 BEADHM C[C@H]1C[C@H](C)N(c2cc(Cl)n[n-]c2=O)C1 ZINC000872460924 589941595 /nfs/dbraw/zinc/94/15/95/589941595.db2.gz GRXWBKGSXVYHEH-BQBZGAKWSA-N -1 3 227.695 2.070 20 0 BEADHM C[C@@H]1C[C@H](C)CN1c1cc(Cl)n[n-]c1=O ZINC000872460925 589941685 /nfs/dbraw/zinc/94/16/85/589941685.db2.gz GRXWBKGSXVYHEH-NKWVEPMBSA-N -1 3 227.695 2.070 20 0 BEADHM CC1CC(Nc2cc(Cl)n[n-]c2=O)C1 ZINC000872472003 589942429 /nfs/dbraw/zinc/94/24/29/589942429.db2.gz NXNOSQAZXWBCKY-UHFFFAOYSA-N -1 3 213.668 2.046 20 0 BEADHM CC[C@@H](C)N(C)c1cc(Cl)n[n-]c1=O ZINC000872479000 589943047 /nfs/dbraw/zinc/94/30/47/589943047.db2.gz FTWUCVFVDFVSAB-ZCFIWIBFSA-N -1 3 215.684 2.070 20 0 BEADHM C[C@H]1CCN(c2cc(Cl)n[n-]c2=O)[C@H]1C ZINC000872473759 589943074 /nfs/dbraw/zinc/94/30/74/589943074.db2.gz STDWRWLNVINNGO-BQBZGAKWSA-N -1 3 227.695 2.070 20 0 BEADHM O=c1[n-]nc(Cl)cc1NC[C@H]1CCCS1 ZINC000872478694 589943281 /nfs/dbraw/zinc/94/32/81/589943281.db2.gz ACWGIPKRHPJYOA-ZCFIWIBFSA-N -1 3 245.735 2.143 20 0 BEADHM CC[C@@H]1CCN(c2cc(Cl)n[n-]c2=O)C1 ZINC000872481434 589944072 /nfs/dbraw/zinc/94/40/72/589944072.db2.gz YYVABSLYEBDNNY-SSDOTTSWSA-N -1 3 227.695 2.072 20 0 BEADHM O=c1[n-]nc(Cl)cc1N1CC[C@H](C2CC2)C1 ZINC000872498345 589944395 /nfs/dbraw/zinc/94/43/95/589944395.db2.gz UNRPKRULXNCGBL-QMMMGPOBSA-N -1 3 239.706 2.072 20 0 BEADHM CCCN(c1cc(Cl)n[n-]c1=O)C1CC1 ZINC000872502585 589945257 /nfs/dbraw/zinc/94/52/57/589945257.db2.gz IBHFMWIFZQRCJE-UHFFFAOYSA-N -1 3 227.695 2.214 20 0 BEADHM O=c1[n-]nc(Cl)cc1N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000872525890 589947135 /nfs/dbraw/zinc/94/71/35/589947135.db2.gz VPIVZJYNMYKXJO-GJVVYLMISA-N -1 3 225.679 2.046 20 0 BEADHM O=c1[n-]nc(Cl)cc1NC1CC(F)(F)C1 ZINC000872521119 589947145 /nfs/dbraw/zinc/94/71/45/589947145.db2.gz GCASREZCCOYCQJ-UHFFFAOYSA-N -1 3 235.621 2.045 20 0 BEADHM CON(CC(C)(C)C)c1cc(Cl)n[n-]c1=O ZINC000872545892 589948355 /nfs/dbraw/zinc/94/83/55/589948355.db2.gz OAZLJHFYJLDWTQ-UHFFFAOYSA-N -1 3 245.710 2.250 20 0 BEADHM C[C@H]1CC[C@H]1Nc1cc(Cl)n[n-]c1=O ZINC000872546833 589948985 /nfs/dbraw/zinc/94/89/85/589948985.db2.gz FFZISMNABOVPMI-NTSWFWBYSA-N -1 3 213.668 2.046 20 0 BEADHM CC1(C)CC[C@H]1Nc1cc(Cl)n[n-]c1=O ZINC000872547503 589949212 /nfs/dbraw/zinc/94/92/12/589949212.db2.gz GMAPMORIJJPMAW-SSDOTTSWSA-N -1 3 227.695 2.436 20 0 BEADHM CCC[C@@H](CNc1cc(Cl)n[n-]c1=O)OC ZINC000872559499 589950247 /nfs/dbraw/zinc/95/02/47/589950247.db2.gz XRELWQVJMVNJLU-ZETCQYMHSA-N -1 3 245.710 2.063 20 0 BEADHM CC(F)(F)CCNc1cc(Cl)n[n-]c1=O ZINC000872559461 589950326 /nfs/dbraw/zinc/95/03/26/589950326.db2.gz XAMVWIIXVZNITG-UHFFFAOYSA-N -1 3 237.637 2.293 20 0 BEADHM CCC=CCNc1cc(Cl)n[n-]c1=O ZINC000872562639 589951005 /nfs/dbraw/zinc/95/10/05/589951005.db2.gz XGTUSRMPOILAHH-ARJAWSKDSA-N -1 3 213.668 2.214 20 0 BEADHM C[C@@H]1CN(c2cc(Cl)n[n-]c2=O)[C@@H](C)[C@H]1C ZINC000872572186 589952352 /nfs/dbraw/zinc/95/23/52/589952352.db2.gz FTNRJBCNIFOTTJ-CSMHCCOUSA-N -1 3 241.722 2.316 20 0 BEADHM C[C@H]1[C@@H](C)N(c2cc(Cl)n[n-]c2=O)C[C@H]1C ZINC000872572185 589952370 /nfs/dbraw/zinc/95/23/70/589952370.db2.gz FTNRJBCNIFOTTJ-BWZBUEFSSA-N -1 3 241.722 2.316 20 0 BEADHM CC[C@H](OC(=O)c1ccc(F)cc1[O-])C(C)=O ZINC000873369995 590032505 /nfs/dbraw/zinc/03/25/05/590032505.db2.gz DITIQGLNRBSMAA-NSHDSACASA-N -1 3 240.230 2.056 20 0 BEADHM CC[C@H](OC(=O)c1ccc([O-])cc1C)C(C)=O ZINC000873372833 590033152 /nfs/dbraw/zinc/03/31/52/590033152.db2.gz LNSOLHYNKBXFRS-LBPRGKRZSA-N -1 3 236.267 2.225 20 0 BEADHM CC[C@@H](OC(=O)c1cc2occc2[n-]1)C(C)=O ZINC000873385925 590035512 /nfs/dbraw/zinc/03/55/12/590035512.db2.gz YOSVJWSFUZWTID-SNVBAGLBSA-N -1 3 235.239 2.285 20 0 BEADHM CCC[C@H](CC)C(=O)[N-]C1=NCCS1 ZINC000873837874 590074086 /nfs/dbraw/zinc/07/40/86/590074086.db2.gz JTGIVGMXMJYFHP-QMMMGPOBSA-N -1 3 214.334 2.032 20 0 BEADHM CCOc1ccccc1CN[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000874047239 590087431 /nfs/dbraw/zinc/08/74/31/590087431.db2.gz MFLRKYLHSWXSDW-TXEJJXNPSA-N -1 3 249.310 2.038 20 0 BEADHM O=C(CCC1CC1)[N-]Oc1ccccc1F ZINC000874910773 590154412 /nfs/dbraw/zinc/15/44/12/590154412.db2.gz AHQXLGHFMCAFMR-UHFFFAOYSA-N -1 3 223.247 2.426 20 0 BEADHM Cc1cc(C=C2SC(=O)[N-]C2=O)ccc1F ZINC000874928222 590155849 /nfs/dbraw/zinc/15/58/49/590155849.db2.gz PXXKTLMAZOXSPN-UITAMQMPSA-N -1 3 237.255 2.458 20 0 BEADHM COCC1(N(C)C(=O)c2cccc([O-])c2)CCC1 ZINC000874935936 590156252 /nfs/dbraw/zinc/15/62/52/590156252.db2.gz XBHIBYSYPMQUOZ-UHFFFAOYSA-N -1 3 249.310 2.033 20 0 BEADHM CCO[N-]C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC000878009225 590471825 /nfs/dbraw/zinc/47/18/25/590471825.db2.gz WPAXRXVNXBWMES-WCQYABFASA-N -1 3 219.284 2.032 20 0 BEADHM Cc1coc(C(=O)[N-]c2c(C)noc2C)c1 ZINC000878659396 590604467 /nfs/dbraw/zinc/60/44/67/590604467.db2.gz CSCPBGOSYUWIBI-UHFFFAOYSA-N -1 3 220.228 2.445 20 0 BEADHM C=C/C=C/CCNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000878686828 590609701 /nfs/dbraw/zinc/60/97/01/590609701.db2.gz HXZLGNOKANSPEK-VOTSOKGWSA-N -1 3 247.342 2.448 20 0 BEADHM Cc1nc(NC([O-])=NOC2CCCC2)cs1 ZINC000879018117 590678937 /nfs/dbraw/zinc/67/89/37/590678937.db2.gz AYNNXRKZHYJZLG-UHFFFAOYSA-N -1 3 241.316 2.447 20 0 BEADHM Cc1nc(NC(=O)[N-]OC2CCCC2)cs1 ZINC000879018117 590678940 /nfs/dbraw/zinc/67/89/40/590678940.db2.gz AYNNXRKZHYJZLG-UHFFFAOYSA-N -1 3 241.316 2.447 20 0 BEADHM Cc1sccc1NC([O-])=NOCC(F)F ZINC000880401359 591021524 /nfs/dbraw/zinc/02/15/24/591021524.db2.gz SFRXJVZIJDBHPI-UHFFFAOYSA-N -1 3 236.243 2.375 20 0 BEADHM Cc1sccc1NC(=O)[N-]OCC(F)F ZINC000880401359 591021529 /nfs/dbraw/zinc/02/15/29/591021529.db2.gz SFRXJVZIJDBHPI-UHFFFAOYSA-N -1 3 236.243 2.375 20 0 BEADHM C[C@@H]1CC[C@@H](NCc2ccc(C(=O)[O-])o2)C1 ZINC000128426323 591038562 /nfs/dbraw/zinc/03/85/62/591038562.db2.gz RMWIUEABOHLROQ-RKDXNWHRSA-N -1 3 223.272 2.256 20 0 BEADHM CN(CCC(=O)[O-])Cc1cncc2ccccc21 ZINC000128547004 591118069 /nfs/dbraw/zinc/11/80/69/591118069.db2.gz JMCZZVOZAYMKCQ-UHFFFAOYSA-N -1 3 244.294 2.141 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)NC[C@@H]1C=CCC1 ZINC000881499298 591221822 /nfs/dbraw/zinc/22/18/22/591221822.db2.gz SVPKFDAOWUHMPH-SNVBAGLBSA-N -1 3 249.285 2.156 20 0 BEADHM Cc1cnc(C[N-]c2nnc(C(C)(C)C)o2)o1 ZINC000882038772 591290944 /nfs/dbraw/zinc/29/09/44/591290944.db2.gz GOQGRBVXMSIBQY-UHFFFAOYSA-N -1 3 236.275 2.276 20 0 BEADHM C[C@@H]1C[C@H]1C(=O)NCc1cc([O-])ccc1Cl ZINC000882227474 591318258 /nfs/dbraw/zinc/31/82/58/591318258.db2.gz JKERDPRFESEXNJ-GMSGAONNSA-N -1 3 239.702 2.318 20 0 BEADHM O=C(NCc1cc([O-])ccc1Cl)C1CCC1 ZINC000882227796 591318310 /nfs/dbraw/zinc/31/83/10/591318310.db2.gz UREHETUNJRCYHH-UHFFFAOYSA-N -1 3 239.702 2.462 20 0 BEADHM O=C(NCc1cc([O-])ccc1Cl)C1(F)CC1 ZINC000882231858 591318684 /nfs/dbraw/zinc/31/86/84/591318684.db2.gz IWDUEZKZFVBWLU-UHFFFAOYSA-N -1 3 243.665 2.164 20 0 BEADHM CC1(C)CCC(Cn2c([O-])coc2=O)CC1 ZINC000882275847 591324599 /nfs/dbraw/zinc/32/45/99/591324599.db2.gz UUCCCQPKDSJCID-UHFFFAOYSA-N -1 3 225.288 2.182 20 0 BEADHM CC(C)c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000130545412 591480846 /nfs/dbraw/zinc/48/08/46/591480846.db2.gz NQXLDIWXHHRRFA-UHFFFAOYSA-N -1 3 248.238 2.294 20 0 BEADHM O=C(Nc1nccs1)c1cc2occc2[n-]1 ZINC000130768761 591519029 /nfs/dbraw/zinc/51/90/29/591519029.db2.gz JRCKDXIWPGOKRC-UHFFFAOYSA-N -1 3 233.252 2.470 20 0 BEADHM CC/C=C/CCOC(=O)c1cccc2nn[n-]c21 ZINC000800208328 591838963 /nfs/dbraw/zinc/83/89/63/591838963.db2.gz LPRSJIZEDBXCNM-ONEGZZNKSA-N -1 3 245.282 2.471 20 0 BEADHM CC/C=C/CCOC(=O)c1cccc2[n-]nnc21 ZINC000800208328 591838966 /nfs/dbraw/zinc/83/89/66/591838966.db2.gz LPRSJIZEDBXCNM-ONEGZZNKSA-N -1 3 245.282 2.471 20 0 BEADHM CC/C=C/CCOC(=O)c1cccc2n[n-]nc21 ZINC000800208328 591838970 /nfs/dbraw/zinc/83/89/70/591838970.db2.gz LPRSJIZEDBXCNM-ONEGZZNKSA-N -1 3 245.282 2.471 20 0 BEADHM CC(C)CO[N-]C(=O)CC[C@H]1CCCCO1 ZINC000135336532 592008455 /nfs/dbraw/zinc/00/84/55/592008455.db2.gz MSDDKHKUBVYUKT-LLVKDONJSA-N -1 3 229.320 2.040 20 0 BEADHM Cc1ccncc1CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000135553010 592017179 /nfs/dbraw/zinc/01/71/79/592017179.db2.gz ABLQLYKRQITNKX-LBPRGKRZSA-N -1 3 248.326 2.077 20 0 BEADHM CCO[N-]C(=O)CCc1cc(C)cc(C)c1 ZINC000137156567 592154811 /nfs/dbraw/zinc/15/48/11/592154811.db2.gz QRDLDHTTXJQTDA-UHFFFAOYSA-N -1 3 221.300 2.304 20 0 BEADHM O=C(C[C@@H]1CC=CCC1)NCc1cncc([O-])c1 ZINC000886271206 592191857 /nfs/dbraw/zinc/19/18/57/592191857.db2.gz ANUPDRZJPLVGGT-LLVKDONJSA-N -1 3 246.310 2.150 20 0 BEADHM CCCCC1(C(=O)NCc2cncc([O-])c2)CC1 ZINC000886271883 592192642 /nfs/dbraw/zinc/19/26/42/592192642.db2.gz ZGKZDGAGXGVDCN-UHFFFAOYSA-N -1 3 248.326 2.374 20 0 BEADHM C[C@H]1CC[C@H](C(=O)NCc2cncc([O-])c2)CC1 ZINC000886273271 592193426 /nfs/dbraw/zinc/19/34/26/592193426.db2.gz SHUKNOKYVZZTLL-UMSPYCQHSA-N -1 3 248.326 2.230 20 0 BEADHM CC(C)=C(C)CC(=O)NCc1cncc([O-])c1 ZINC000886273410 592193641 /nfs/dbraw/zinc/19/36/41/592193641.db2.gz XKCUYQNNJVCFAN-UHFFFAOYSA-N -1 3 234.299 2.150 20 0 BEADHM C[C@H]1CC=C(C(=O)NCc2cncc([O-])c2)CC1 ZINC000886275142 592194352 /nfs/dbraw/zinc/19/43/52/592194352.db2.gz PICBVNJYKCJKFF-JTQLQIEISA-N -1 3 246.310 2.150 20 0 BEADHM CC/C(C)=C(\C)C(=O)NCc1cncc([O-])c1 ZINC000886276427 592196055 /nfs/dbraw/zinc/19/60/55/592196055.db2.gz IWXNRZYEJYRYJE-MDZDMXLPSA-N -1 3 234.299 2.150 20 0 BEADHM C/C=C(/C=C\C(=O)NCc1cncc([O-])c1)CC ZINC000886277873 592196166 /nfs/dbraw/zinc/19/61/66/592196166.db2.gz FQTJMXYWZDHHHL-YOYJXUCXSA-N -1 3 246.310 2.316 20 0 BEADHM C[C@@H]1CCC[C@@H]1CC(=O)NCc1cncc([O-])c1 ZINC000886276559 592196224 /nfs/dbraw/zinc/19/62/24/592196224.db2.gz MCXPQEDEACPLRX-ZYHUDNBSSA-N -1 3 248.326 2.230 20 0 BEADHM O=C(C[C@H]1C=CCCC1)NCc1cncc([O-])c1 ZINC000886276470 592196291 /nfs/dbraw/zinc/19/62/91/592196291.db2.gz JXMBLHREMFPSAQ-NSHDSACASA-N -1 3 246.310 2.150 20 0 BEADHM C[C@@H]1CC[C@H](CC(=O)NCc2cncc([O-])c2)C1 ZINC000886278047 592196932 /nfs/dbraw/zinc/19/69/32/592196932.db2.gz LODCNBATODAMAU-MNOVXSKESA-N -1 3 248.326 2.230 20 0 BEADHM CCC1(C(=O)NCc2cncc([O-])c2)CCCC1 ZINC000886278331 592196949 /nfs/dbraw/zinc/19/69/49/592196949.db2.gz VZYYSIXANLGGTM-UHFFFAOYSA-N -1 3 248.326 2.374 20 0 BEADHM CCC(C)(C)CC(=O)NCc1cncc([O-])c1 ZINC000886278271 592196999 /nfs/dbraw/zinc/19/69/99/592196999.db2.gz UCIHAUNRIFANPE-UHFFFAOYSA-N -1 3 236.315 2.230 20 0 BEADHM C[C@@H]1CCc2[n-]n([C@H]3CCCSC3)c(=O)c21 ZINC000887298610 592478077 /nfs/dbraw/zinc/47/80/77/592478077.db2.gz CYJCPHXZOYBMAV-YWVKMMECSA-N -1 3 238.356 2.126 20 0 BEADHM O=C([N-]OCCOc1ccccc1)C1CC=CC1 ZINC000889448112 592612458 /nfs/dbraw/zinc/61/24/58/592612458.db2.gz QTNUUAQHYJTZTP-UHFFFAOYSA-N -1 3 247.294 2.079 20 0 BEADHM CC(C)(C)c1coc(C[N-]C(=O)C(C)(F)F)n1 ZINC000889554631 592619761 /nfs/dbraw/zinc/61/97/61/592619761.db2.gz LCSVQKIOGZTHOY-UHFFFAOYSA-N -1 3 246.257 2.244 20 0 BEADHM CCSc1ccc(-c2nnn[n-]2)cc1F ZINC000095303830 599067449 /nfs/dbraw/zinc/06/74/49/599067449.db2.gz ZRPHVGNPPBIVFV-UHFFFAOYSA-N -1 3 224.264 2.118 20 0 BEADHM CCSc1ccc(-c2nn[n-]n2)cc1F ZINC000095303830 599067451 /nfs/dbraw/zinc/06/74/51/599067451.db2.gz ZRPHVGNPPBIVFV-UHFFFAOYSA-N -1 3 224.264 2.118 20 0 BEADHM C[C@H](NCCCCC(=O)[O-])c1nccs1 ZINC000235510232 598171319 /nfs/dbraw/zinc/17/13/19/598171319.db2.gz NJTHYKAPHKLCPU-QMMMGPOBSA-N -1 3 228.317 2.049 20 0 BEADHM Clc1cc(N2CCCC2)ccc1-c1nnn[n-]1 ZINC000095142401 598506164 /nfs/dbraw/zinc/50/61/64/598506164.db2.gz BSKZTTQYLZXKFY-UHFFFAOYSA-N -1 3 249.705 2.120 20 0 BEADHM Clc1cc(N2CCCC2)ccc1-c1nn[n-]n1 ZINC000095142401 598506166 /nfs/dbraw/zinc/50/61/66/598506166.db2.gz BSKZTTQYLZXKFY-UHFFFAOYSA-N -1 3 249.705 2.120 20 0 BEADHM C[C@@H]1C[C@@H]1Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000095253072 599425867 /nfs/dbraw/zinc/42/58/67/599425867.db2.gz XNIFFUFIQTWMBM-MUWHJKNJSA-N -1 3 249.705 2.340 20 0 BEADHM C[C@@H]1C[C@@H]1Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000095253072 599425868 /nfs/dbraw/zinc/42/58/68/599425868.db2.gz XNIFFUFIQTWMBM-MUWHJKNJSA-N -1 3 249.705 2.340 20 0 BEADHM C[C@H]1C[C@@H]1Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000095253073 599425949 /nfs/dbraw/zinc/42/59/49/599425949.db2.gz XNIFFUFIQTWMBM-RCOVLWMOSA-N -1 3 249.705 2.340 20 0 BEADHM C[C@H]1C[C@@H]1Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000095253073 599425951 /nfs/dbraw/zinc/42/59/51/599425951.db2.gz XNIFFUFIQTWMBM-RCOVLWMOSA-N -1 3 249.705 2.340 20 0 BEADHM O=C([O-])C1(NCc2cscn2)CCCCC1 ZINC000686008306 600273126 /nfs/dbraw/zinc/27/31/26/600273126.db2.gz CXIXPEQXYOBRQL-UHFFFAOYSA-N -1 3 240.328 2.020 20 0 BEADHM C[C@@H](N[C@@H](C)C(=O)[O-])c1c(F)cccc1F ZINC000049353314 600741326 /nfs/dbraw/zinc/74/13/26/600741326.db2.gz OGWIPDBKWCFEEM-RQJHMYQMSA-N -1 3 229.226 2.089 20 0 BEADHM CCN(C/C=C(\C)C(=O)[O-])CCC(F)(F)F ZINC000689180636 601159479 /nfs/dbraw/zinc/15/94/79/601159479.db2.gz MQLLAHZRCJRHQO-XBXARRHUSA-N -1 3 239.237 2.292 20 0 BEADHM CCN(C/C=C(/C)C(=O)[O-])CCC(F)(F)F ZINC000689180637 601159482 /nfs/dbraw/zinc/15/94/82/601159482.db2.gz MQLLAHZRCJRHQO-YWEYNIOJSA-N -1 3 239.237 2.292 20 0 BEADHM CCC(CC)(CNC(=O)[O-])NCc1ccoc1 ZINC000739253961 602570879 /nfs/dbraw/zinc/57/08/79/602570879.db2.gz KOCXUJCWWVKKMH-UHFFFAOYSA-N -1 3 240.303 2.196 20 0 BEADHM O=C([O-])NC[C@H](c1cccs1)N1CCCC1 ZINC000740610827 602664276 /nfs/dbraw/zinc/66/42/76/602664276.db2.gz CBPOWGIMOFSLPE-SECBINFHSA-N -1 3 240.328 2.153 20 0 BEADHM CCc1ccc(CN2CCC(C(=O)[O-])CC2)o1 ZINC000086727334 604517349 /nfs/dbraw/zinc/51/73/49/604517349.db2.gz XGBMLXYGZWCLQS-UHFFFAOYSA-N -1 3 237.299 2.139 20 0 BEADHM CC(C)CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000095199449 606456386 /nfs/dbraw/zinc/45/63/86/606456386.db2.gz PIQXLEZIPCMEHS-UHFFFAOYSA-N -1 3 235.266 2.074 20 0 BEADHM CC(C)CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000095199449 606456387 /nfs/dbraw/zinc/45/63/87/606456387.db2.gz PIQXLEZIPCMEHS-UHFFFAOYSA-N -1 3 235.266 2.074 20 0 BEADHM C[C@H]1CC[C@H](Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000083829003 608867668 /nfs/dbraw/zinc/86/76/68/608867668.db2.gz YYSQUFASZXJJSH-CABZTGNLSA-N -1 3 243.314 2.467 20 0 BEADHM C[C@H]1CC[C@H](Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000083829003 608867671 /nfs/dbraw/zinc/86/76/71/608867671.db2.gz YYSQUFASZXJJSH-CABZTGNLSA-N -1 3 243.314 2.467 20 0 BEADHM CCC[C@@H]1C[C@H]1NCc1ccc(C(=O)[O-])o1 ZINC000233307232 635533287 /nfs/dbraw/zinc/53/32/87/635533287.db2.gz ZIINLMXBAXYHSY-PSASIEDQSA-N -1 3 223.272 2.256 20 0 BEADHM C[C@@H]1CCCN(Cc2cccc(C(=O)[O-])n2)C1 ZINC000235322150 635571773 /nfs/dbraw/zinc/57/17/73/635571773.db2.gz GPBDHFQWQYLMHT-SNVBAGLBSA-N -1 3 234.299 2.012 20 0 BEADHM CCCc1ccc(NC(=O)c2cnn[n-]2)cc1 ZINC000108288446 631784198 /nfs/dbraw/zinc/78/41/98/631784198.db2.gz VCQZVBGHYPHCCA-UHFFFAOYSA-N -1 3 230.271 2.010 20 0 BEADHM CCCc1ccc(NC(=O)c2c[n-]nn2)cc1 ZINC000108288446 631784202 /nfs/dbraw/zinc/78/42/02/631784202.db2.gz VCQZVBGHYPHCCA-UHFFFAOYSA-N -1 3 230.271 2.010 20 0 BEADHM CCCc1ccc(NC(=O)c2cn[n-]n2)cc1 ZINC000108288446 631784207 /nfs/dbraw/zinc/78/42/07/631784207.db2.gz VCQZVBGHYPHCCA-UHFFFAOYSA-N -1 3 230.271 2.010 20 0 BEADHM Cc1nc(N[C@@H](C)c2ccccn2)cc(=O)[n-]1 ZINC000163617015 633060389 /nfs/dbraw/zinc/06/03/89/633060389.db2.gz WIPAHFYBYNHVNS-QMMMGPOBSA-N -1 3 230.271 2.059 20 0 BEADHM Cc1ccc([O-])c(CN2CC(C(F)(F)F)C2)n1 ZINC000894891713 636000337 /nfs/dbraw/zinc/00/03/37/636000337.db2.gz DOLRDDMLYSGQFD-UHFFFAOYSA-N -1 3 246.232 2.090 20 0 BEADHM C[C@@H]1CN(c2cc(=O)[n-]cn2)[C@@H]2CCCC[C@H]21 ZINC000893121882 633842821 /nfs/dbraw/zinc/84/28/21/633842821.db2.gz UCLIWNWMEDINTJ-OUAUKWLOSA-N -1 3 233.315 2.197 20 0 BEADHM CC[C@@H](C)CC(=O)[N-]OCc1ccccn1 ZINC000909539635 636233280 /nfs/dbraw/zinc/23/32/80/636233280.db2.gz GWAOTXDYQUIPKY-SNVBAGLBSA-N -1 3 222.288 2.066 20 0 BEADHM O=C(C[C@@H]1C=CCCC1)[N-]OCc1ccccn1 ZINC000909542404 636237135 /nfs/dbraw/zinc/23/71/35/636237135.db2.gz WPCGBCLNESCDJI-GFCCVEGCSA-N -1 3 246.310 2.376 20 0 BEADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)[N-]OCc1ccccn1 ZINC000909544515 636239463 /nfs/dbraw/zinc/23/94/63/636239463.db2.gz PPLRQDHFTMRPRF-MDZLAQPJSA-N -1 3 246.310 2.066 20 0 BEADHM C[C@]1(C(=O)[N-]OCc2ccccn2)C[C@H]2C[C@H]2C1 ZINC000909545116 636241040 /nfs/dbraw/zinc/24/10/40/636241040.db2.gz WZTNHRNIUWLMPO-YABSGUDNSA-N -1 3 246.310 2.066 20 0 BEADHM CC1(C)CO[C@H](CC(=O)[N-]OCCC2CC2)C1 ZINC000897842170 636836556 /nfs/dbraw/zinc/83/65/56/636836556.db2.gz XPTJRVFHWLHMSN-LLVKDONJSA-N -1 3 241.331 2.040 20 0 BEADHM C[C@H](Cc1ccco1)NC(=O)c1ccccc1[O-] ZINC000042240272 637094478 /nfs/dbraw/zinc/09/44/78/637094478.db2.gz NURHDQMCFXRLQV-SNVBAGLBSA-N -1 3 245.278 2.346 20 0 BEADHM CSCC(C)(C)NCc1ccc(C(=O)[O-])o1 ZINC000905796313 637932255 /nfs/dbraw/zinc/93/22/55/637932255.db2.gz AIUIUMVEHFWLGU-UHFFFAOYSA-N -1 3 243.328 2.209 20 0 BEADHM O=C([N-]OCC1CC1)C1(C2CC2)CCC1 ZINC000908382949 638677283 /nfs/dbraw/zinc/67/72/83/638677283.db2.gz LEPJPEGUQRDKTC-UHFFFAOYSA-N -1 3 209.289 2.025 20 0 BEADHM COC/C(C)=C/COC(=O)c1ccc([O-])cc1 ZINC000908701301 639053037 /nfs/dbraw/zinc/05/30/37/639053037.db2.gz ZHQZHCGYKISJHE-JXMROGBWSA-N -1 3 236.267 2.142 20 0 BEADHM Cc1nc(N[C@H](C)c2cccnc2)cc(=O)[n-]1 ZINC000163612842 640093128 /nfs/dbraw/zinc/09/31/28/640093128.db2.gz CTMFPWYKZBEWKB-MRVPVSSYSA-N -1 3 230.271 2.059 20 0 BEADHM Cc1ncc(CO)c(/C=N/CC2CCCC2)c1[O-] ZINC000031854588 640112789 /nfs/dbraw/zinc/11/27/89/640112789.db2.gz IYUWARLPVYWPDO-OVCLIPMQSA-N -1 3 248.326 2.197 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CC2CC1(C)C2 ZINC000912770058 640198368 /nfs/dbraw/zinc/19/83/68/640198368.db2.gz OELYZZURXHYHHS-UHFFFAOYSA-N -1 3 247.294 2.025 20 0 BEADHM CC(C)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913298611 640346711 /nfs/dbraw/zinc/34/67/11/640346711.db2.gz OILBDZYSDSHTOH-UHFFFAOYSA-N -1 3 234.255 2.483 20 0 BEADHM CC(C)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913298611 640346718 /nfs/dbraw/zinc/34/67/18/640346718.db2.gz OILBDZYSDSHTOH-UHFFFAOYSA-N -1 3 234.255 2.483 20 0 BEADHM CC[C@H]1CCCN(c2cc(=O)[n-]c(C)n2)C1 ZINC000165388195 640569178 /nfs/dbraw/zinc/56/91/78/640569178.db2.gz KGWWVLCEMOETEG-JTQLQIEISA-N -1 3 221.304 2.117 20 0 BEADHM O=C([N-]C(C1CC1)C1CC1)C(F)(F)C(F)F ZINC000226601543 640776384 /nfs/dbraw/zinc/77/63/84/640776384.db2.gz ZTMLMWXXEGWBPU-UHFFFAOYSA-N -1 3 239.212 2.192 20 0 BEADHM Cc1ccc(-c2cc(C(=O)OCCF)n[n-]2)o1 ZINC000172669599 641093854 /nfs/dbraw/zinc/09/38/54/641093854.db2.gz LUZGWMIVNHAIGH-UHFFFAOYSA-N -1 3 238.218 2.104 20 0 BEADHM Cc1ccc(-c2cc(C(=O)OCCF)[n-]n2)o1 ZINC000172669599 641093856 /nfs/dbraw/zinc/09/38/56/641093856.db2.gz LUZGWMIVNHAIGH-UHFFFAOYSA-N -1 3 238.218 2.104 20 0 BEADHM CCO[N-]C(=O)Cc1c[nH]c2c1cccc2C ZINC000172825484 641113125 /nfs/dbraw/zinc/11/31/25/641113125.db2.gz RTMRHXNYUYADHT-UHFFFAOYSA-N -1 3 232.283 2.087 20 0 BEADHM CCC[C@H](O)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000935101633 641338625 /nfs/dbraw/zinc/33/86/25/641338625.db2.gz YLBYYJAMGXPOFF-VIFPVBQESA-N -1 3 243.690 2.145 20 0 BEADHM O=C(C[C@H]1CC=CCC1)Nc1ncccc1[O-] ZINC000935336868 641389507 /nfs/dbraw/zinc/38/95/07/641389507.db2.gz PWJAWISCJIUOME-JTQLQIEISA-N -1 3 232.283 2.472 20 0 BEADHM CC1(C(=O)Nc2ncccc2[O-])CC=CC1 ZINC000935337343 641389568 /nfs/dbraw/zinc/38/95/68/641389568.db2.gz YPXHOULGPIEWLI-UHFFFAOYSA-N -1 3 218.256 2.082 20 0 BEADHM CCCCC1(C(=O)[N-]OC[C@H]2CCOC2)CC1 ZINC000935594472 641436602 /nfs/dbraw/zinc/43/66/02/641436602.db2.gz RIWCTKIMAINTJD-NSHDSACASA-N -1 3 241.331 2.041 20 0 BEADHM CCOCCC1(C(=O)[N-]OCC(C)C)CCC1 ZINC000156465340 641608002 /nfs/dbraw/zinc/60/80/02/641608002.db2.gz KXBOBFGZGOMRII-UHFFFAOYSA-N -1 3 243.347 2.287 20 0 BEADHM CCC(CC)CC(=O)[N-]OCc1cccnc1 ZINC000152692685 641634214 /nfs/dbraw/zinc/63/42/14/641634214.db2.gz RGOIIIFCBXIVFO-UHFFFAOYSA-N -1 3 236.315 2.456 20 0 BEADHM CO[C@@H](C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000188128338 641747086 /nfs/dbraw/zinc/74/70/86/641747086.db2.gz IIIGHLJIYWFZPJ-MTDSNMTDSA-N -1 3 227.691 2.499 20 0 BEADHM CCc1cccc(CC(=O)[N-]OCC(C)C)c1 ZINC000153504862 641808495 /nfs/dbraw/zinc/80/84/95/641808495.db2.gz XIZGNLVKOYEUPK-UHFFFAOYSA-N -1 3 235.327 2.495 20 0 BEADHM CCCCC(=O)[N-]OCCC(F)(F)F ZINC000154978945 642340338 /nfs/dbraw/zinc/34/03/38/642340338.db2.gz JPONMHMNDHVCIH-UHFFFAOYSA-N -1 3 213.199 2.177 20 0 BEADHM CCc1cccc(C(=O)Nc2n[nH]cc2C)c1[O-] ZINC000081784261 643256950 /nfs/dbraw/zinc/25/69/50/643256950.db2.gz UYLCHICBUZAVKT-UHFFFAOYSA-N -1 3 245.282 2.238 20 0 BEADHM CO[N-]C(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000072864355 643315800 /nfs/dbraw/zinc/31/58/00/643315800.db2.gz DYCPLAABJGFHQS-UHFFFAOYSA-N -1 3 232.283 2.087 20 0 BEADHM C=CCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000095128278 643342024 /nfs/dbraw/zinc/34/20/24/643342024.db2.gz DSVWMOHWJYBJEF-UHFFFAOYSA-N -1 3 230.271 2.212 20 0 BEADHM CCO[N-]C(=O)C[C@@H]1CCc2ccccc21 ZINC000734422457 643499721 /nfs/dbraw/zinc/49/97/21/643499721.db2.gz WMANMRAKPRRFBZ-NSHDSACASA-N -1 3 219.284 2.174 20 0 BEADHM CC1(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000307572174 643515657 /nfs/dbraw/zinc/51/56/57/643515657.db2.gz YLHDTYVHFWQIIV-UHFFFAOYSA-N -1 3 219.284 2.425 20 0 BEADHM C=C(Cl)COC(=O)c1ccc([O-])cc1 ZINC000058857189 643719323 /nfs/dbraw/zinc/71/93/23/643719323.db2.gz CXRRKTIVFLCFHY-UHFFFAOYSA-N -1 3 212.632 2.302 20 0 BEADHM O=C([O-])[C@H]1CCN(Cc2cc(Cl)cs2)C1 ZINC000086334833 644461161 /nfs/dbraw/zinc/46/11/61/644461161.db2.gz VYPXIMBCUSYSAA-ZETCQYMHSA-N -1 3 245.731 2.308 20 0 BEADHM c1cc(C[N-]c2nc(-c3ccccc3)no2)no1 ZINC000747622416 644586134 /nfs/dbraw/zinc/58/61/34/644586134.db2.gz YUOJRMIDMIWPAQ-UHFFFAOYSA-N -1 3 242.238 2.337 20 0 BEADHM C[C@H]1CC[C@@H](CC(=O)[N-]OCC(F)F)C1 ZINC000759337893 644639411 /nfs/dbraw/zinc/63/94/11/644639411.db2.gz OKQFJWOMNICRHI-JGVFFNPUSA-N -1 3 221.247 2.126 20 0 BEADHM COCCO[N-]C(=O)CCC1CCCCC1 ZINC000096585136 644823138 /nfs/dbraw/zinc/82/31/38/644823138.db2.gz ZYLIOMZKBQOLSG-UHFFFAOYSA-N -1 3 229.320 2.041 20 0 BEADHM O=C(CCc1ccccc1)[N-]OC1CCC1 ZINC000812787557 644933158 /nfs/dbraw/zinc/93/31/58/644933158.db2.gz XGGVWHURJROEEL-UHFFFAOYSA-N -1 3 219.284 2.220 20 0 BEADHM COCCC1(C(=O)[N-]OCC2CC2)CCCC1 ZINC000817355176 644973196 /nfs/dbraw/zinc/97/31/96/644973196.db2.gz VKORQRQSBYBWGL-UHFFFAOYSA-N -1 3 241.331 2.041 20 0 BEADHM CC(=O)[C@@H](C)CCCCC(=O)[N-]OCC1CC1 ZINC000817357276 644974629 /nfs/dbraw/zinc/97/46/29/644974629.db2.gz FNGGTLLRPRGFBY-JTQLQIEISA-N -1 3 241.331 2.230 20 0 BEADHM C[C@@H](CC(=O)[N-]OCCC1CC1)c1cccnc1 ZINC000817399270 644977164 /nfs/dbraw/zinc/97/71/64/644977164.db2.gz IWUVCKGKFPSZLJ-NSHDSACASA-N -1 3 248.326 2.423 20 0 BEADHM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000867342367 645312254 /nfs/dbraw/zinc/31/22/54/645312254.db2.gz RRHYXGCTIAOOHR-KATARQTJSA-N -1 3 232.283 2.018 20 0 BEADHM CCC(F)(F)C(=O)[N-][C@@H]1CCCC1(F)F ZINC000854478360 645505605 /nfs/dbraw/zinc/50/56/05/645505605.db2.gz UWZNASJPUFWZMM-ZCFIWIBFSA-N -1 3 227.201 2.336 20 0 BEADHM C[C@H](NCc1nccn1C)c1cc([O-])cc(F)c1 ZINC000924938150 646135837 /nfs/dbraw/zinc/13/58/37/646135837.db2.gz FTBCHIPZPAZWQX-VIFPVBQESA-N -1 3 249.289 2.116 20 0 BEADHM CC1(C)C[C@@]1(C)NCc1ccc(C(=O)[O-])o1 ZINC000701954217 712033159 /nfs/dbraw/zinc/03/31/59/712033159.db2.gz BZBQSSRYRBBLTH-GFCCVEGCSA-N -1 3 223.272 2.256 20 0 BEADHM Cc1oc(CN2CC[C@@H](CF)C2)cc1C(=O)[O-] ZINC000711489256 712306679 /nfs/dbraw/zinc/30/66/79/712306679.db2.gz JZHWEESKIVEFFJ-VIFPVBQESA-N -1 3 241.262 2.078 20 0 BEADHM Cc1nonc1[N-]C(=O)c1cc(Cl)cs1 ZINC000758215017 712407971 /nfs/dbraw/zinc/40/79/71/712407971.db2.gz RNCUHJPXZGXTOO-UHFFFAOYSA-N -1 3 243.675 2.345 20 0 BEADHM O=C(OCCF)c1cc(Cl)c(Cl)[n-]1 ZINC000388290637 711057312 /nfs/dbraw/zinc/05/73/12/711057312.db2.gz VOBYGULKGQDAKU-UHFFFAOYSA-N -1 3 226.034 2.448 20 0 BEADHM O=C([O-])c1coc(CN[C@H]2CC23CCCC3)c1 ZINC000387014886 711039411 /nfs/dbraw/zinc/03/94/11/711039411.db2.gz LKEKHQGQOBFADX-NSHDSACASA-N -1 3 235.283 2.400 20 0 BEADHM CC[C@@H]1CC[C@H](C)N1Cc1cc(C(=O)[O-])no1 ZINC000136276761 711694820 /nfs/dbraw/zinc/69/48/20/711694820.db2.gz ZGZYGPAIRCMMOF-DTWKUNHWSA-N -1 3 238.287 2.136 20 0 BEADHM C[C@@H]1CCN(Cc2cccs2)[C@H](C(=O)[O-])C1 ZINC000167604700 711830170 /nfs/dbraw/zinc/83/01/70/711830170.db2.gz WMMJAPCYSNLRDG-KOLCDFICSA-N -1 3 239.340 2.433 20 0 BEADHM O=C([N-]CC[C@H]1CC=CCC1)C(F)(F)F ZINC000706915217 712158332 /nfs/dbraw/zinc/15/83/32/712158332.db2.gz MRJURQREIYZIIY-QMMMGPOBSA-N -1 3 221.222 2.411 20 0 BEADHM O=C([O-])c1ccc(CN2CCC[C@H](CF)C2)o1 ZINC000711450189 712301525 /nfs/dbraw/zinc/30/15/25/712301525.db2.gz AJMSRMNKBVEKAL-SECBINFHSA-N -1 3 241.262 2.159 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](CF)C1 ZINC000711468476 712302432 /nfs/dbraw/zinc/30/24/32/712302432.db2.gz DVGMRXYBVZIUCR-JTQLQIEISA-N -1 3 237.274 2.132 20 0 BEADHM Cc1ccccc1CCC(=O)[N-]OC(C)C ZINC000379025969 712368078 /nfs/dbraw/zinc/36/80/78/712368078.db2.gz UYLZIQLUCNLMNO-UHFFFAOYSA-N -1 3 221.300 2.384 20 0 BEADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)CCCF ZINC000714953484 712503652 /nfs/dbraw/zinc/50/36/52/712503652.db2.gz KCJFYLRBAKFNEZ-QMMMGPOBSA-N -1 3 229.251 2.330 20 0 BEADHM COc1ccc(C)cc1CC(=O)[N-]OC1CCC1 ZINC000812788505 712586544 /nfs/dbraw/zinc/58/65/44/712586544.db2.gz YNXLMIZFRGLVDZ-UHFFFAOYSA-N -1 3 249.310 2.146 20 0 BEADHM CC[C@](C)(NC/C(Cl)=C/Cl)C(=O)[O-] ZINC000086799455 957993352 /nfs/dbraw/zinc/99/33/52/957993352.db2.gz WNCOHYFKDNCBBU-HORMHSFOSA-N -1 3 226.103 2.148 20 0 BEADHM CCCO[N-]C(=O)Cc1cc(C)ccc1C ZINC000686763265 960816632 /nfs/dbraw/zinc/81/66/32/960816632.db2.gz AJCDSGSSESBGGA-UHFFFAOYSA-N -1 3 221.300 2.304 20 0 BEADHM CC(C)(C)CCNCc1ncc(C(=O)[O-])s1 ZINC000309484141 963351879 /nfs/dbraw/zinc/35/18/79/963351879.db2.gz XKFWRMIDHWNULT-UHFFFAOYSA-N -1 3 242.344 2.367 20 0 BEADHM CC[C@@H](C)[C@H](C)NCc1ncc(C(=O)[O-])s1 ZINC000309426144 963349478 /nfs/dbraw/zinc/34/94/78/963349478.db2.gz INTVCSWKWGRJDI-SFYZADRCSA-N -1 3 242.344 2.366 20 0 BEADHM Cc1cnc(C(C)(C)NCCCC(=O)[O-])s1 ZINC000309527480 963353385 /nfs/dbraw/zinc/35/33/85/963353385.db2.gz BJOZTVKVTHMQCT-UHFFFAOYSA-N -1 3 242.344 2.141 20 0 BEADHM CO[C@@H](C)CCOc1cccc([O-])c1F ZINC001233870502 965596059 /nfs/dbraw/zinc/59/60/59/965596059.db2.gz DPXZXJHIYLJBPN-QMMMGPOBSA-N -1 3 214.236 2.335 20 0 BEADHM CC(C)S(=O)(=O)[N-]c1cccc(C2CC2)n1 ZINC001252438751 968694286 /nfs/dbraw/zinc/69/42/86/968694286.db2.gz LPYLXVUFPQMOJK-UHFFFAOYSA-N -1 3 240.328 2.109 20 0 BEADHM C[C@](O)(CN[C@H]1[CH]CC=C1)c1ccccc1 ZINC001253124500 969095128 /nfs/dbraw/zinc/09/51/28/969095128.db2.gz ILPSSLOFNPODMJ-KGLIPLIRSA-N -1 3 216.304 2.016 20 0 BEADHM CCS(=O)(=O)[N-]c1cccc2occc21 ZINC001253366750 969142156 /nfs/dbraw/zinc/14/21/56/969142156.db2.gz GXJHXXARXJSFIO-UHFFFAOYSA-N -1 3 225.269 2.194 20 0 BEADHM CCCCC[C@@H](O)CNc1ncc(F)cc1[O-] ZINC001253532725 969205835 /nfs/dbraw/zinc/20/58/35/969205835.db2.gz WZPVCFNLSMJWQM-SNVBAGLBSA-N -1 3 242.294 2.279 20 0 BEADHM Cc1nnc(-c2cc([O-])ccc2Cl)o1 ZINC000306827201 1166494380 /nfs/dbraw/zinc/49/43/80/1166494380.db2.gz GSQBNMAWVRQSOW-UHFFFAOYSA-N -1 3 210.620 2.404 20 0 BEADHM Cn1ncc(N)c1Nc1cccc(Cl)c1[O-] ZINC001210219915 969835134 /nfs/dbraw/zinc/83/51/34/969835134.db2.gz SNPSXUOWNZFZPV-UHFFFAOYSA-N -1 3 238.678 2.105 20 0 BEADHM CC1(CNCc2nc(C(=O)[O-])cs2)CCC1 ZINC000378679100 1166550837 /nfs/dbraw/zinc/55/08/37/1166550837.db2.gz RCSYITJYVZAQGH-UHFFFAOYSA-N -1 3 240.328 2.121 20 0 BEADHM CCOC(=O)[C@H]1CCC[C@@H](NC2=CC=C[CH]2)C1 ZINC001255348400 970124378 /nfs/dbraw/zinc/12/43/78/970124378.db2.gz HSQZDTYNLUZZAN-WCQYABFASA-N -1 3 234.319 2.356 20 0 BEADHM Cc1cncc(-c2ccc(=S)[n-]n2)c1 ZINC000235931638 1166797042 /nfs/dbraw/zinc/79/70/42/1166797042.db2.gz CMHCZGBUOARPEU-UHFFFAOYSA-N -1 3 203.270 2.136 20 0 BEADHM CN(Cc1ccns1)C(=O)c1ccccc1[O-] ZINC000404436940 1166884690 /nfs/dbraw/zinc/88/46/90/1166884690.db2.gz GRULFNQEWKWBBQ-UHFFFAOYSA-N -1 3 248.307 2.121 20 0 BEADHM Cc1cc(-c2ccccc2[O-])nc(C)n1 ZINC000238534209 1166901730 /nfs/dbraw/zinc/90/17/30/1166901730.db2.gz BCDUBDGFAPTARK-UHFFFAOYSA-N -1 3 200.241 2.466 20 0 BEADHM C[C@@H]1CCC[C@@H](Oc2cc(=O)[n-]cn2)[C@H]1C ZINC001226944989 975170392 /nfs/dbraw/zinc/17/03/92/975170392.db2.gz MJTQGMWODNYWSJ-KXUCPTDWSA-N -1 3 222.288 2.386 20 0 BEADHM O=c1ccc(O[C@H]2CCC=CCCC2)n[n-]1 ZINC001227094046 975267687 /nfs/dbraw/zinc/26/76/87/975267687.db2.gz ZBNQWLBXXIGLQM-JTQLQIEISA-N -1 3 220.272 2.450 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@H](C)c1cccc(F)c1 ZINC001226461934 1167129639 /nfs/dbraw/zinc/12/96/39/1167129639.db2.gz ZCEXXJZZNPGBRM-MRVPVSSYSA-N -1 3 249.245 2.165 20 0 BEADHM O=c1cc(O[C@@H]2CCOc3ccccc32)nc[n-]1 ZINC001226944685 1167199634 /nfs/dbraw/zinc/19/96/34/1167199634.db2.gz HQFUCZWNWPIFTQ-LLVKDONJSA-N -1 3 244.250 2.085 20 0 BEADHM O=C(c1cc([O-])ccc1Cl)N1CC=CC1 ZINC000308861396 1167210850 /nfs/dbraw/zinc/21/08/50/1167210850.db2.gz AIYWDDVEQRFBKO-UHFFFAOYSA-N -1 3 223.659 2.058 20 0 BEADHM C=Cc1c[n-]c(=O)nc1O[C@H](C)COCCC ZINC001227714453 975641139 /nfs/dbraw/zinc/64/11/39/975641139.db2.gz XGHXQZJPSAPQND-SECBINFHSA-N -1 3 238.287 2.019 20 0 BEADHM CC(C)(CC(=O)[N-]OCc1ccccn1)C1CC1 ZINC000909543689 1167312666 /nfs/dbraw/zinc/31/26/66/1167312666.db2.gz FUONKFKIJNUPST-UHFFFAOYSA-N -1 3 248.326 2.456 20 0 BEADHM CC(C)(C)O[N-]C(=O)CCc1ccco1 ZINC000148956482 1167355167 /nfs/dbraw/zinc/35/51/67/1167355167.db2.gz SCOSRSCLBFMRFR-UHFFFAOYSA-N -1 3 211.261 2.059 20 0 BEADHM C[C@]1(O)CCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231730753 977716868 /nfs/dbraw/zinc/71/68/68/977716868.db2.gz FUQJRXDDMGGEAN-LBPRGKRZSA-N -1 3 241.718 2.002 20 0 BEADHM COCCC1(C(=O)[N-]OCC(C)C)CCCC1 ZINC000156394406 1167634531 /nfs/dbraw/zinc/63/45/31/1167634531.db2.gz QYHVRAQGVDEJDT-UHFFFAOYSA-N -1 3 243.347 2.287 20 0 BEADHM CC(=O)[C@@H]1CCCN1Cc1cccc([O-])c1F ZINC001233054944 978447718 /nfs/dbraw/zinc/44/77/18/978447718.db2.gz GOSWPQLGAHHHHV-NSHDSACASA-N -1 3 237.274 2.085 20 0 BEADHM CSCCN(C)Cc1cccc([O-])c1F ZINC001233054080 978449012 /nfs/dbraw/zinc/44/90/12/978449012.db2.gz BJHPPMDKRQYHEX-UHFFFAOYSA-N -1 3 229.320 2.326 20 0 BEADHM CCSC1(CNc2nc(C)cc(=O)[n-]2)CC1 ZINC001337925048 978564981 /nfs/dbraw/zinc/56/49/81/978564981.db2.gz HCDFCJHSGJZOCE-UHFFFAOYSA-N -1 3 239.344 2.188 20 0 BEADHM CN(Cc1sc(=O)[n-]c1Cl)C1CC1 ZINC001237159601 979823569 /nfs/dbraw/zinc/82/35/69/979823569.db2.gz CYJPLUXMNWUMMM-UHFFFAOYSA-N -1 3 218.709 2.096 20 0 BEADHM CC1(F)CN(Cc2occc2[S-])C1 ZINC001237180160 979829300 /nfs/dbraw/zinc/82/93/00/979829300.db2.gz IBHRYAMCFYUBSI-UHFFFAOYSA-N -1 3 201.266 2.112 20 0 BEADHM CCc1oc(CN[C@H]2CC2(C)C)cc1C(=O)[O-] ZINC001605890329 979926896 /nfs/dbraw/zinc/92/68/96/979926896.db2.gz DIMVWALGFNPHGQ-NSHDSACASA-N -1 3 237.299 2.428 20 0 BEADHM CC[C@H](C)C(=O)C(=O)Nc1ccc(F)c([O-])c1 ZINC001184319696 980018527 /nfs/dbraw/zinc/01/85/27/980018527.db2.gz BRPXFRQYCPHKRJ-ZETCQYMHSA-N -1 3 239.246 2.085 20 0 BEADHM Cc1ccc(C(=O)NCc2ccns2)c([O-])c1 ZINC000404487650 1168459772 /nfs/dbraw/zinc/45/97/72/1168459772.db2.gz DLAAHWMICDBDRS-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM [O-]c1cc(F)cc(-c2cccc3ncnn32)c1 ZINC001241272481 1168464413 /nfs/dbraw/zinc/46/44/13/1168464413.db2.gz QSUYSUWRCQPGLN-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccco2)CC1 ZINC001186875124 980450866 /nfs/dbraw/zinc/45/08/66/980450866.db2.gz PMFHORICNVXERR-AOOOYVTPSA-N -1 3 243.328 2.137 20 0 BEADHM [O-]c1cc(Cl)cnc1Nc1cnoc1 ZINC001203233003 980451413 /nfs/dbraw/zinc/45/14/13/980451413.db2.gz LOQCBWHZQJAFFH-UHFFFAOYSA-N -1 3 211.608 2.172 20 0 BEADHM O=S(=O)(CC1CC1)[N-]c1cc(F)cc(F)c1 ZINC001188926919 980718641 /nfs/dbraw/zinc/71/86/41/980718641.db2.gz NSFGKSCHULMPPI-UHFFFAOYSA-N -1 3 247.266 2.117 20 0 BEADHM CCCCNC(=O)Nc1ccc(F)c([O-])c1 ZINC001190615187 980890073 /nfs/dbraw/zinc/89/00/73/980890073.db2.gz KGJUXLZXRWPKCK-UHFFFAOYSA-N -1 3 226.251 2.453 20 0 BEADHM Cc1cnc(CNCCC(C)(C)C(=O)[O-])s1 ZINC001348942474 981482438 /nfs/dbraw/zinc/48/24/38/981482438.db2.gz GXFMKBXAFRZZFF-UHFFFAOYSA-N -1 3 242.344 2.042 20 0 BEADHM C[C@@H]([NH2+][C@@H](C)CC(=O)[O-])c1cccc([O-])c1F ZINC001589004566 982568621 /nfs/dbraw/zinc/56/86/21/982568621.db2.gz KRRLSDQCUHARMM-JGVFFNPUSA-N -1 3 241.262 2.045 20 0 BEADHM CCCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000095171122 1169017292 /nfs/dbraw/zinc/01/72/92/1169017292.db2.gz ZQUJNUCGYTUWIW-UHFFFAOYSA-N -1 3 217.276 2.079 20 0 BEADHM Clc1cccc(NC2CCC2)c1-c1nnn[n-]1 ZINC000095338256 1169019743 /nfs/dbraw/zinc/01/97/43/1169019743.db2.gz DWNCAIJICUIUHV-UHFFFAOYSA-N -1 3 249.705 2.485 20 0 BEADHM Clc1cccc(NC2CCC2)c1-c1nn[n-]n1 ZINC000095338256 1169019751 /nfs/dbraw/zinc/01/97/51/1169019751.db2.gz DWNCAIJICUIUHV-UHFFFAOYSA-N -1 3 249.705 2.485 20 0 BEADHM CCCCSc1cc(-c2nnn[n-]2)ccn1 ZINC000095289078 1169023751 /nfs/dbraw/zinc/02/37/51/1169023751.db2.gz XDXYZCCDCZFDOI-UHFFFAOYSA-N -1 3 235.316 2.154 20 0 BEADHM CCCCSc1cc(-c2nn[n-]n2)ccn1 ZINC000095289078 1169023760 /nfs/dbraw/zinc/02/37/60/1169023760.db2.gz XDXYZCCDCZFDOI-UHFFFAOYSA-N -1 3 235.316 2.154 20 0 BEADHM CCCCN(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000095288850 1169024708 /nfs/dbraw/zinc/02/47/08/1169024708.db2.gz KVLXWFZHYQCGCX-UHFFFAOYSA-N -1 3 231.303 2.103 20 0 BEADHM Cc1nc(O[C@@H](C)C2CCC2)cc(=O)[n-]1 ZINC000719737376 1169065173 /nfs/dbraw/zinc/06/51/73/1169065173.db2.gz PHDXCHZFHQTFEV-ZETCQYMHSA-N -1 3 208.261 2.058 20 0 BEADHM CCN(C/C(C)=C\C(=O)[O-])Cc1occc1C ZINC001596230040 983623447 /nfs/dbraw/zinc/62/34/47/983623447.db2.gz QKQDTBRGCVJOOK-YFHOEESVSA-N -1 3 237.299 2.441 20 0 BEADHM CCC[C@@H](O)CNc1cc([O-])c(F)cc1F ZINC001252790510 983887909 /nfs/dbraw/zinc/88/79/09/983887909.db2.gz CNCZKDJZYIFNQM-SSDOTTSWSA-N -1 3 231.242 2.243 20 0 BEADHM CCOC[C@H](C)Oc1cc(C(C)=O)ccc1[O-] ZINC001225998761 974760252 /nfs/dbraw/zinc/76/02/52/974760252.db2.gz OEYFKEQLCZYABY-VIFPVBQESA-N -1 3 238.283 2.399 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@@H]1CCCC[C@H]1F ZINC001226077770 974779689 /nfs/dbraw/zinc/77/96/89/974779689.db2.gz WFCPULXFGMSHOR-RKDXNWHRSA-N -1 3 226.251 2.150 20 0 BEADHM Nc1ccc(-c2cccc([O-])c2F)nc1 ZINC001243543865 970788460 /nfs/dbraw/zinc/78/84/60/970788460.db2.gz RBOQALYDQRFCAZ-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM CC(C)Cc1nnc(-c2ccc([O-])cn2)o1 ZINC001256408143 970816490 /nfs/dbraw/zinc/81/64/90/970816490.db2.gz ZTSHARJAWQPNGT-UHFFFAOYSA-N -1 3 219.244 2.036 20 0 BEADHM Cc1nonc1[N-]c1ccnc(OC(C)C)c1 ZINC001215766088 970833652 /nfs/dbraw/zinc/83/36/52/970833652.db2.gz BWSFOEIOEKCJEV-UHFFFAOYSA-N -1 3 234.259 2.304 20 0 BEADHM CC(C)Cc1nnc(-c2cc(O)ccc2[O-])o1 ZINC001256502903 970855927 /nfs/dbraw/zinc/85/59/27/970855927.db2.gz POBRLIZDXBWWBP-UHFFFAOYSA-N -1 3 234.255 2.346 20 0 BEADHM O=c1[n-]cncc1Nc1cc(C2CC2)cnc1F ZINC001215955771 970879416 /nfs/dbraw/zinc/87/94/16/970879416.db2.gz ITPRKRAHOULWQK-UHFFFAOYSA-N -1 3 246.245 2.337 20 0 BEADHM C[C@]1(C(=O)[O-])CCN(CC=C(Cl)Cl)C1 ZINC000403365213 970922199 /nfs/dbraw/zinc/92/21/99/970922199.db2.gz YTXACDYSZDVYEN-VIFPVBQESA-N -1 3 238.114 2.102 20 0 BEADHM COc1cccc([O-])c1C(=O)N[C@H]1CCC[C@H]1C ZINC000405293787 971230318 /nfs/dbraw/zinc/23/03/18/971230318.db2.gz MPSCEXDANXHRGA-ZJUUUORDSA-N -1 3 249.310 2.319 20 0 BEADHM COc1cccc([O-])c1C(=O)N(C)C1CCCC1 ZINC000405306985 971230476 /nfs/dbraw/zinc/23/04/76/971230476.db2.gz YCBGNHLLEYWXCF-UHFFFAOYSA-N -1 3 249.310 2.415 20 0 BEADHM CCC[C@@H](C)NC(=O)c1c([O-])cccc1OC ZINC000405489606 971264940 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/nfs/dbraw/zinc/05/86/07/972058607.db2.gz KCEXWWHHHKFLDI-UHFFFAOYSA-N -1 3 246.310 2.154 20 0 BEADHM NC(=O)Cc1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241271990 1169716906 /nfs/dbraw/zinc/71/69/06/1169716906.db2.gz LOBRIZRZKYVTHE-UHFFFAOYSA-N -1 3 245.253 2.226 20 0 BEADHM C[C@@H](N[C@H](C)C1CC1)c1ncc(C(=O)[O-])s1 ZINC000315381196 972231955 /nfs/dbraw/zinc/23/19/55/972231955.db2.gz RFLWVUBOOCGZHV-RNFRBKRXSA-N -1 3 240.328 2.290 20 0 BEADHM CC[C@@H](C)Nc1ccccc1-c1nnn[n-]1 ZINC000095275410 957496382 /nfs/dbraw/zinc/49/63/82/957496382.db2.gz ZAQYKBBYLGZRRT-MRVPVSSYSA-N -1 3 217.276 2.077 20 0 BEADHM CC[C@@H](C)Nc1ccccc1-c1nn[n-]n1 ZINC000095275410 957496389 /nfs/dbraw/zinc/49/63/89/957496389.db2.gz ZAQYKBBYLGZRRT-MRVPVSSYSA-N -1 3 217.276 2.077 20 0 BEADHM Cc1nc(Nc2ccn(C(C)C)n2)cc(=O)[n-]1 ZINC001210335982 957725159 /nfs/dbraw/zinc/72/51/59/957725159.db2.gz NEHAUAYVOAMWLN-UHFFFAOYSA-N -1 3 233.275 2.012 20 0 BEADHM Nc1cncc(Nc2ncc(Cl)cc2[O-])c1 ZINC001210437062 957747347 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2.104 20 0 BEADHM CCc1ccc(-c2nnc(-c3cnn[n-]3)o2)cc1 ZINC001253000775 969068914 /nfs/dbraw/zinc/06/89/14/969068914.db2.gz BUFHGFGBDWMTKU-UHFFFAOYSA-N -1 3 241.254 2.084 20 0 BEADHM CCc1ccc(-c2nnc(-c3c[n-]nn3)o2)cc1 ZINC001253000775 969068922 /nfs/dbraw/zinc/06/89/22/969068922.db2.gz BUFHGFGBDWMTKU-UHFFFAOYSA-N -1 3 241.254 2.084 20 0 BEADHM CCc1ccc(-c2nnc(-c3cn[n-]n3)o2)cc1 ZINC001253000775 969068937 /nfs/dbraw/zinc/06/89/37/969068937.db2.gz BUFHGFGBDWMTKU-UHFFFAOYSA-N -1 3 241.254 2.084 20 0 BEADHM C[C@](O)(CN[C@@H]1[CH]CC=C1)c1ccccc1 ZINC001253124495 969092350 /nfs/dbraw/zinc/09/23/50/969092350.db2.gz ILPSSLOFNPODMJ-KBPBESRZSA-N -1 3 216.304 2.016 20 0 BEADHM CCCS(=O)(=O)Nc1cccc([O-])c1Cl ZINC001253697974 969334539 /nfs/dbraw/zinc/33/45/39/969334539.db2.gz ADHIDEQSZYSSTI-UHFFFAOYSA-N -1 3 249.719 2.197 20 0 BEADHM CCc1cncc(Nc2cnc(C)[n-]c2=O)c1 ZINC001209191335 969381719 /nfs/dbraw/zinc/38/17/19/969381719.db2.gz XOYDMCNKHHWOHO-UHFFFAOYSA-N -1 3 230.271 2.192 20 0 BEADHM O=c1cc(Nc2ncccc2F)nc(C2CC2)[n-]1 ZINC001209806287 969631163 /nfs/dbraw/zinc/63/11/63/969631163.db2.gz XLQAITTWERMZLD-UHFFFAOYSA-N -1 3 246.245 2.337 20 0 BEADHM COc1ncc(C)cc1NCc1ncccc1[O-] ZINC001169732671 969837556 /nfs/dbraw/zinc/83/75/56/969837556.db2.gz PADKFZMTMCWPPK-UHFFFAOYSA-N -1 3 245.282 2.111 20 0 BEADHM O=c1[nH]cncc1Nc1cccc(Cl)c1[O-] ZINC001210220867 969838128 /nfs/dbraw/zinc/83/81/28/969838128.db2.gz SMUGGQSQSHFSQS-UHFFFAOYSA-N -1 3 237.646 2.285 20 0 BEADHM Cc1ccc(Nc2cnc(C)[n-]c2=O)cc1CO ZINC001210244084 969841082 /nfs/dbraw/zinc/84/10/82/969841082.db2.gz HMVDKMFMALAQPZ-UHFFFAOYSA-N -1 3 245.282 2.035 20 0 BEADHM Cc1cc(Nc2cnc(C)[n-]c2=O)c(C)o1 ZINC001210281293 969849612 /nfs/dbraw/zinc/84/96/12/969849612.db2.gz XBKAIFXODVNTMC-UHFFFAOYSA-N -1 3 219.244 2.444 20 0 BEADHM Cc1ncc([N-]c2noc(C(C)(C)C)n2)cc1N ZINC001210286149 969853484 /nfs/dbraw/zinc/85/34/84/969853484.db2.gz WCAHESYOBYBWDT-UHFFFAOYSA-N -1 3 247.302 2.396 20 0 BEADHM COC(=O)c1ccnc(-c2ccc([O-])cc2F)c1 ZINC001206021878 969870071 /nfs/dbraw/zinc/87/00/71/969870071.db2.gz SFOHQENHJKXWLA-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM CC(C)c1cc([N-]c2ccn(C)n2)on1 ZINC001210348273 969873925 /nfs/dbraw/zinc/87/39/25/969873925.db2.gz QJCLPFXEQGOCOG-UHFFFAOYSA-N -1 3 206.249 2.275 20 0 BEADHM CCOc1cncc(Nc2ncc(F)cc2[O-])c1 ZINC001210662628 969993479 /nfs/dbraw/zinc/99/34/79/969993479.db2.gz HWDMOEQULQSGOD-UHFFFAOYSA-N -1 3 249.245 2.464 20 0 BEADHM [O-]c1cc(O)cc(O)c1-c1nnc(C2CCC2)o1 ZINC001255251950 970014410 /nfs/dbraw/zinc/01/44/10/970014410.db2.gz BCOJDAMIICROHI-UHFFFAOYSA-N -1 3 248.238 2.121 20 0 BEADHM Cn1cnc2ccc(-c3ccc([O-])cc3F)nc21 ZINC001206030068 970029721 /nfs/dbraw/zinc/02/97/21/970029721.db2.gz NOORZZSLAYSSKM-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM CCCC[C@H](C)[NH2+]CCCCP(=O)([O-])[O-] ZINC001255314289 970082058 /nfs/dbraw/zinc/08/20/58/970082058.db2.gz HDRNFERYEFGTER-JTQLQIEISA-N -1 3 237.280 2.113 20 0 BEADHM Cn1c([N-]c2nccs2)nnc1C(F)(F)F ZINC001210987305 970097508 /nfs/dbraw/zinc/09/75/08/970097508.db2.gz METSWLTVVXNXTA-UHFFFAOYSA-N -1 3 249.221 2.034 20 0 BEADHM Clc1cnc([N-]c2nccs2)cn1 ZINC001210989461 970101822 /nfs/dbraw/zinc/10/18/22/970101822.db2.gz IBMTYWGLBZVZPC-UHFFFAOYSA-N -1 3 212.665 2.330 20 0 BEADHM [O-]c1c(F)cc(F)cc1Nc1ccncn1 ZINC001211031234 970126504 /nfs/dbraw/zinc/12/65/04/970126504.db2.gz RRGUUPBTYPVWRV-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM C=C(c1ccccc1)c1cncc(-c2nnn[n-]2)c1 ZINC001242892580 970127077 /nfs/dbraw/zinc/12/70/77/970127077.db2.gz AATSADAMRHNKSA-UHFFFAOYSA-N -1 3 249.277 2.323 20 0 BEADHM C=C(c1ccccc1)c1cncc(-c2nn[n-]n2)c1 ZINC001242892580 970127083 /nfs/dbraw/zinc/12/70/83/970127083.db2.gz AATSADAMRHNKSA-UHFFFAOYSA-N -1 3 249.277 2.323 20 0 BEADHM Nc1cc(C2CC2)nn1-c1ccc(F)c([O-])c1 ZINC001211214349 970175487 /nfs/dbraw/zinc/17/54/87/970175487.db2.gz QRGVRIRLLHWWJZ-UHFFFAOYSA-N -1 3 233.246 2.177 20 0 BEADHM O=c1[n-]cncc1Nc1cnccc1C1CC1 ZINC001213872868 970393571 /nfs/dbraw/zinc/39/35/71/970393571.db2.gz GCOSPSMGVMNCQV-UHFFFAOYSA-N -1 3 228.255 2.198 20 0 BEADHM Cc1nnc([N-]c2cc(O)ccc2C)o1 ZINC001214337184 970486392 /nfs/dbraw/zinc/48/63/92/970486392.db2.gz VXBYTHFRQQOHQU-UHFFFAOYSA-N -1 3 205.217 2.136 20 0 BEADHM Cc1nonc1[N-]c1cccc(Cl)c1CO ZINC001214642831 970524334 /nfs/dbraw/zinc/52/43/34/970524334.db2.gz RTGMNURQOOCWGK-UHFFFAOYSA-N -1 3 239.662 2.267 20 0 BEADHM Cc1cc(CO)ccc1Nc1cnc(C)[n-]c1=O ZINC001214662883 970529462 /nfs/dbraw/zinc/52/94/62/970529462.db2.gz HVGHPIKTEWVMQW-UHFFFAOYSA-N -1 3 245.282 2.035 20 0 BEADHM Cc1cc(CO)cc(C)c1Nc1cnc[n-]c1=O ZINC001214952219 970581640 /nfs/dbraw/zinc/58/16/40/970581640.db2.gz RFURQHAHAWGWRJ-UHFFFAOYSA-N -1 3 245.282 2.035 20 0 BEADHM O=C([N-][C@@H]1CCC[C@@H](F)C1)C(F)(F)C(F)F ZINC001328536952 973126249 /nfs/dbraw/zinc/12/62/49/973126249.db2.gz ZJQPAITXSGAXGB-PHDIDXHHSA-N -1 3 245.191 2.284 20 0 BEADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cc[nH]n1 ZINC001146842508 973303565 /nfs/dbraw/zinc/30/35/65/973303565.db2.gz WAZVECDCXXBVFO-UHFFFAOYSA-N -1 3 237.646 2.021 20 0 BEADHM Cc1ccsc1C(=O)Nc1cc(=O)[n-]c(C)n1 ZINC001147107502 973437076 /nfs/dbraw/zinc/43/70/76/973437076.db2.gz YKYJJKSUGMIEIZ-UHFFFAOYSA-N -1 3 249.295 2.113 20 0 BEADHM CCc1ccc([O-])c(C(=O)N(OC)C(C)C)c1 ZINC001329182627 973548772 /nfs/dbraw/zinc/54/87/72/973548772.db2.gz IYOVOTAPZAGSLZ-UHFFFAOYSA-N -1 3 237.299 2.367 20 0 BEADHM Cc1ccc(C(=O)N[C@H](C)c2ccno2)c([O-])c1 ZINC001148507164 973856438 /nfs/dbraw/zinc/85/64/38/973856438.db2.gz CBZYCYZNARQXAL-SECBINFHSA-N -1 3 246.266 2.180 20 0 BEADHM CC(=O)c1cc(C(=O)Nc2ccc[nH]2)ccc1[O-] ZINC001148657735 973880079 /nfs/dbraw/zinc/88/00/79/973880079.db2.gz SPENXDQETFQGPA-UHFFFAOYSA-N -1 3 244.250 2.175 20 0 BEADHM CC(C)CO[N-]C(=O)C[C@@H]1Cc2ccccc2O1 ZINC001330685176 974411945 /nfs/dbraw/zinc/41/19/45/974411945.db2.gz BETRCZQFKBEKEC-LBPRGKRZSA-N -1 3 249.310 2.084 20 0 BEADHM CCO[C@H](C)COc1ccc2c([O-])coc2c1 ZINC001225341246 974416990 /nfs/dbraw/zinc/41/69/90/974416990.db2.gz XSUDMEZMFUPMDX-SECBINFHSA-N -1 3 236.267 2.066 20 0 BEADHM CC[C@H](COC)Oc1ccc2c([O-])coc2c1 ZINC001225343480 974422700 /nfs/dbraw/zinc/42/27/00/974422700.db2.gz XZAONGUPZKLKCK-SECBINFHSA-N -1 3 236.267 2.066 20 0 BEADHM Cc1cnc(=S)[n-]c1O[C@H]1CCO[C@H](C)C1 ZINC001225741548 974665705 /nfs/dbraw/zinc/66/57/05/974665705.db2.gz XKMYQZAVOPPGJT-BDAKNGLRSA-N -1 3 240.328 2.020 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@H]1CCCC[C@@H]1C ZINC001226070905 974776164 /nfs/dbraw/zinc/77/61/64/974776164.db2.gz IHHGFXNTTFLROY-WPRPVWTQSA-N -1 3 222.288 2.448 20 0 BEADHM CCC[C@@H](CC)Oc1nc[n-]c(=O)c1C ZINC001226072001 974776398 /nfs/dbraw/zinc/77/63/98/974776398.db2.gz WRIRQHJUUFSWJA-SECBINFHSA-N -1 3 210.277 2.448 20 0 BEADHM Cc1c(O[C@H](C)c2ccncc2)nc[n-]c1=O ZINC001226071460 974776420 /nfs/dbraw/zinc/77/64/20/974776420.db2.gz QLMMHQKPWUDFOE-SECBINFHSA-N -1 3 231.255 2.026 20 0 BEADHM CC[C@@H](C)[C@@H](C)Oc1nc[n-]c(=O)c1C ZINC001226077804 974780503 /nfs/dbraw/zinc/78/05/03/974780503.db2.gz WVKXJXDQNMCUDB-VXNVDRBHSA-N -1 3 210.277 2.304 20 0 BEADHM CO[C@H](C)COc1[n-]c(=S)ncc1C1CC1 ZINC001226118178 974797688 /nfs/dbraw/zinc/79/76/88/974797688.db2.gz CCRRILJOUFVTJI-SSDOTTSWSA-N -1 3 240.328 2.056 20 0 BEADHM O=C([O-])c1coc(CN[C@@H]2C=CCCC2)c1 ZINC001331944441 974880214 /nfs/dbraw/zinc/88/02/14/974880214.db2.gz YAUDBIKFMMTCBW-SNVBAGLBSA-N -1 3 221.256 2.176 20 0 BEADHM CCC[C@@H](Oc1[n-]c(=O)nnc1C)[C@H](C)CC ZINC001226460390 974910612 /nfs/dbraw/zinc/91/06/12/974910612.db2.gz CREMKPMLVIPECU-PSASIEDQSA-N -1 3 239.319 2.479 20 0 BEADHM CCCCC[C@H](C)Oc1[n-]c(=O)nnc1C ZINC001226461343 974912938 /nfs/dbraw/zinc/91/29/38/974912938.db2.gz OIROIOZVXPHQNG-QMMMGPOBSA-N -1 3 225.292 2.233 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@@H]1CCCC(C)(C)C1 ZINC001226463791 974915671 /nfs/dbraw/zinc/91/56/71/974915671.db2.gz KPSYGPSKUZDADX-SECBINFHSA-N -1 3 237.303 2.233 20 0 BEADHM CCc1nc(O[C@@H](C)C(F)(F)F)cc(=O)[n-]1 ZINC001226472540 974920249 /nfs/dbraw/zinc/92/02/49/974920249.db2.gz IPVHRALGFCLTHU-YFKPBYRVSA-N -1 3 236.193 2.074 20 0 BEADHM CCc1nc(O[C@@H](C)c2cccnc2)cc(=O)[n-]1 ZINC001226472331 974920375 /nfs/dbraw/zinc/92/03/75/974920375.db2.gz DNXHKKLFAJDWRG-VIFPVBQESA-N -1 3 245.282 2.280 20 0 BEADHM C[C@@H](CC(C)(C)NCc1cscn1)C(=O)[O-] ZINC001332017981 974922611 /nfs/dbraw/zinc/92/26/11/974922611.db2.gz VTPLAUNHFIVTFJ-QMMMGPOBSA-N -1 3 242.344 2.122 20 0 BEADHM CCc1nc(O[C@H]2C[C@H]3C=C[C@@H]2C3)cc(=O)[n-]1 ZINC001226477506 974922738 /nfs/dbraw/zinc/92/27/38/974922738.db2.gz XSJUUUBBKYOZHQ-AEJSXWLSSA-N -1 3 232.283 2.088 20 0 BEADHM C/C(=C/c1ccccc1)CNC[C@@H](F)C(=O)[O-] ZINC001332017113 974924577 /nfs/dbraw/zinc/92/45/77/974924577.db2.gz GSFZHLXIDXZUGQ-MQGYJPLLSA-N -1 3 237.274 2.102 20 0 BEADHM Cc1nc(O[C@@H](C)COC(C)(C)C)cc(=O)[n-]1 ZINC001226509193 974929467 /nfs/dbraw/zinc/92/94/67/974929467.db2.gz MFYXQVXRRSNHMX-QMMMGPOBSA-N -1 3 240.303 2.073 20 0 BEADHM Cc1nc(O[C@@H](C)c2ccccn2)cc(=O)[n-]1 ZINC001226510575 974933709 /nfs/dbraw/zinc/93/37/09/974933709.db2.gz MAVGNXCNIJLILW-QMMMGPOBSA-N -1 3 231.255 2.026 20 0 BEADHM CC[C@H](Oc1cc(=O)[n-]c(C)n1)C(C)C ZINC001226512645 974938010 /nfs/dbraw/zinc/93/80/10/974938010.db2.gz UCOGXCDYGSLDSD-VIFPVBQESA-N -1 3 210.277 2.304 20 0 BEADHM COC[C@H](C)Oc1cccc([O-])c1Cl ZINC001226711293 975041566 /nfs/dbraw/zinc/04/15/66/975041566.db2.gz IBWFVWICHQDEPW-ZETCQYMHSA-N -1 3 216.664 2.459 20 0 BEADHM S=c1nccc(O[C@H]2C=CCCC2)[n-]1 ZINC001226938799 975164587 /nfs/dbraw/zinc/16/45/87/975164587.db2.gz CGWKGGQZZBRRRO-QMMMGPOBSA-N -1 3 208.286 2.253 20 0 BEADHM S=c1nccc(O[C@H]2CCc3cccnc32)[n-]1 ZINC001226940062 975167400 /nfs/dbraw/zinc/16/74/00/975167400.db2.gz NBWWFBTZDGOYPV-VIFPVBQESA-N -1 3 245.307 2.227 20 0 BEADHM C[C@@H](Cc1ccco1)Oc1ccnc(=S)[n-]1 ZINC001226940175 975167910 /nfs/dbraw/zinc/16/79/10/975167910.db2.gz OYXJCVDQFIWKBM-QMMMGPOBSA-N -1 3 236.296 2.368 20 0 BEADHM FC1(F)CC[C@@H](Oc2ccnc(=S)[n-]2)C1 ZINC001226942306 975168347 /nfs/dbraw/zinc/16/83/47/975168347.db2.gz KLPJGEAVKXXMHZ-ZCFIWIBFSA-N -1 3 232.255 2.332 20 0 BEADHM COC(C)(C)C[C@H](C)Oc1ccnc(=S)[n-]1 ZINC001226944155 975169771 /nfs/dbraw/zinc/16/97/71/975169771.db2.gz XJKXRDNULDQUGM-QMMMGPOBSA-N -1 3 242.344 2.348 20 0 BEADHM C[C@@H]1CC[C@H](C)[C@H](Oc2cc(=O)[n-]cn2)C1 ZINC001226943920 975172935 /nfs/dbraw/zinc/17/29/35/975172935.db2.gz ANRBSHNTTHOAGF-KXUCPTDWSA-N -1 3 222.288 2.386 20 0 BEADHM C[C@@H](Oc1cc(=O)[n-]cn1)c1cccs1 ZINC001226945884 975175547 /nfs/dbraw/zinc/17/55/47/975175547.db2.gz DPQPNMIWQMAICJ-SSDOTTSWSA-N -1 3 222.269 2.384 20 0 BEADHM C[C@H](Oc1cc(=O)[n-]cn1)c1ccccc1F ZINC001226947352 975175741 /nfs/dbraw/zinc/17/57/41/975175741.db2.gz PWMQDDYBQJOEQV-QMMMGPOBSA-N -1 3 234.230 2.461 20 0 BEADHM O=c1cc(O[C@@H]2CC3CCC2CC3)nc[n-]1 ZINC001226945632 975178009 /nfs/dbraw/zinc/17/80/09/975178009.db2.gz YGKUTPIYGLZUJJ-UDNWOFFPSA-N -1 3 220.272 2.140 20 0 BEADHM C[C@@H](Oc1cnc[n-]c1=O)c1cccc(F)c1 ZINC001227049112 975236465 /nfs/dbraw/zinc/23/64/65/975236465.db2.gz QREIHQXGYWXDIC-MRVPVSSYSA-N -1 3 234.230 2.461 20 0 BEADHM C[C@H](Oc1cnc[n-]c1=O)c1cccc(F)c1 ZINC001227049113 975237698 /nfs/dbraw/zinc/23/76/98/975237698.db2.gz QREIHQXGYWXDIC-QMMMGPOBSA-N -1 3 234.230 2.461 20 0 BEADHM CC(C)CC[C@@H](C)Oc1ccc(=O)[n-]n1 ZINC001227094217 975268503 /nfs/dbraw/zinc/26/85/03/975268503.db2.gz COBMHCSHEKQQMU-SECBINFHSA-N -1 3 210.277 2.386 20 0 BEADHM CC[C@@H](Oc1ccc(=O)[n-]n1)C(C)(C)C ZINC001227094463 975269503 /nfs/dbraw/zinc/26/95/03/975269503.db2.gz GBCSZWGAMFJSPZ-MRVPVSSYSA-N -1 3 210.277 2.386 20 0 BEADHM CC1CCC(Oc2ccc(=O)[n-]n2)CC1 ZINC001227094758 975269659 /nfs/dbraw/zinc/26/96/59/975269659.db2.gz KBERUNBDGHJUOO-UHFFFAOYSA-N -1 3 208.261 2.140 20 0 BEADHM Cc1cc(CO)cc(Nc2cc(=O)[n-]c(C)n2)c1 ZINC001212752484 975520242 /nfs/dbraw/zinc/52/02/42/975520242.db2.gz QLXDXCQVCINRSO-UHFFFAOYSA-N -1 3 245.282 2.035 20 0 BEADHM CCC(CC)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227613391 975580242 /nfs/dbraw/zinc/58/02/42/975580242.db2.gz UIXQSCMWPRMFFU-UHFFFAOYSA-N -1 3 238.316 2.209 20 0 BEADHM C=Cc1c[n-]c(=O)nc1O[C@@H]1CCC[C@@H]1C ZINC001227712594 975625899 /nfs/dbraw/zinc/62/58/99/975625899.db2.gz DQBYNSDWYWLSJV-WCBMZHEXSA-N -1 3 220.272 2.393 20 0 BEADHM CN(C)c1nc(Nc2ccc(F)cc2)cc(=O)[n-]1 ZINC001173798489 975643285 /nfs/dbraw/zinc/64/32/85/975643285.db2.gz AROWKTMIPWMMER-UHFFFAOYSA-N -1 3 248.261 2.131 20 0 BEADHM Cc1ncc(Nc2ccc(F)cc2)c(=O)[n-]1 ZINC001173798987 975651892 /nfs/dbraw/zinc/65/18/92/975651892.db2.gz BRUCULVOYIGOKF-UHFFFAOYSA-N -1 3 219.219 2.373 20 0 BEADHM O=c1nc2cccnc2c(O[C@H]2C=CCCC2)[n-]1 ZINC001228007163 975849163 /nfs/dbraw/zinc/84/91/63/975849163.db2.gz JZPAZXGISROLQI-VIFPVBQESA-N -1 3 243.266 2.218 20 0 BEADHM COc1ccc(F)cc1Nc1cnc[n-]c1=O ZINC001173955345 975990444 /nfs/dbraw/zinc/99/04/44/975990444.db2.gz KVTKYKFTPHWPLU-UHFFFAOYSA-N -1 3 235.218 2.074 20 0 BEADHM COc1ccc([N-]c2nnc(C(C)C)o2)cn1 ZINC001173957999 975997198 /nfs/dbraw/zinc/99/71/98/975997198.db2.gz QHZFUKAHJDLTCI-UHFFFAOYSA-N -1 3 234.259 2.340 20 0 BEADHM CC[C@H](CSC)N(C)c1cc(=O)[n-]c(C)n1 ZINC001333740778 976050213 /nfs/dbraw/zinc/05/02/13/976050213.db2.gz OPKFKAJHEYAYPW-SECBINFHSA-N -1 3 241.360 2.068 20 0 BEADHM C[C@H](CCC(=O)[O-])NCc1nc2ccccc2o1 ZINC001334056034 976251081 /nfs/dbraw/zinc/25/10/81/976251081.db2.gz NKXATUJWGZSYFJ-SECBINFHSA-N -1 3 248.282 2.171 20 0 BEADHM COc1cc(F)ccc1Nc1cnc[n-]c1=O ZINC001174129816 976367529 /nfs/dbraw/zinc/36/75/29/976367529.db2.gz ZVANAODBMYOBHV-UHFFFAOYSA-N -1 3 235.218 2.074 20 0 BEADHM COc1ccc(Nc2cnc[n-]c2=O)c(F)c1 ZINC001174143137 976374246 /nfs/dbraw/zinc/37/42/46/976374246.db2.gz AOSGIBWVXPTOAG-UHFFFAOYSA-N -1 3 235.218 2.074 20 0 BEADHM COc1ccc(Nc2cc(=O)[n-]c(C)n2)c(F)c1 ZINC001174144059 976379172 /nfs/dbraw/zinc/37/91/72/976379172.db2.gz MZPZFLPELATCAF-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM c1cncc(-c2nnc(O[C@H]3C=CCCC3)[n-]2)c1 ZINC001228695634 976439870 /nfs/dbraw/zinc/43/98/70/976439870.db2.gz OBKDQUFBSORHDV-NSHDSACASA-N -1 3 242.282 2.354 20 0 BEADHM c1cncc(-c2n[n-]c(O[C@H]3C=CCCC3)n2)c1 ZINC001228695634 976439877 /nfs/dbraw/zinc/43/98/77/976439877.db2.gz OBKDQUFBSORHDV-NSHDSACASA-N -1 3 242.282 2.354 20 0 BEADHM c1cncc(-c2nc(O[C@H]3C=CCCC3)n[n-]2)c1 ZINC001228695634 976439885 /nfs/dbraw/zinc/43/98/85/976439885.db2.gz OBKDQUFBSORHDV-NSHDSACASA-N -1 3 242.282 2.354 20 0 BEADHM CC(C)[C@@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228693663 976442484 /nfs/dbraw/zinc/44/24/84/976442484.db2.gz BWSCYPBCZPKGMW-SECBINFHSA-N -1 3 232.287 2.290 20 0 BEADHM CC(C)[C@@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228693663 976442493 /nfs/dbraw/zinc/44/24/93/976442493.db2.gz BWSCYPBCZPKGMW-SECBINFHSA-N -1 3 232.287 2.290 20 0 BEADHM CC(C)[C@@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228693663 976442501 /nfs/dbraw/zinc/44/25/01/976442501.db2.gz BWSCYPBCZPKGMW-SECBINFHSA-N -1 3 232.287 2.290 20 0 BEADHM Cn1cc(Nc2nc3c(cccc3[O-])s2)cn1 ZINC001174327750 976525206 /nfs/dbraw/zinc/52/52/06/976525206.db2.gz DDTTVWMDTJVRDF-UHFFFAOYSA-N -1 3 246.295 2.479 20 0 BEADHM Cc1nn(C)cc1Nc1cc([O-])c(F)cc1F ZINC001174335429 976554719 /nfs/dbraw/zinc/55/47/19/976554719.db2.gz KPXIZYWLTHDAGN-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM O=C(Cc1ccccc1)[N-]OCC1CCC1 ZINC001334578503 976558874 /nfs/dbraw/zinc/55/88/74/976558874.db2.gz QTOSTQOPNUFFBR-UHFFFAOYSA-N -1 3 219.284 2.077 20 0 BEADHM Cc1ncc(Nc2cccc3n[nH]cc32)c(=O)[n-]1 ZINC001174344874 976569179 /nfs/dbraw/zinc/56/91/79/976569179.db2.gz RMHUOQDWMUWVNU-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM Cc1ncc(Nc2cccc3[nH]ncc32)c(=O)[n-]1 ZINC001174344874 976569190 /nfs/dbraw/zinc/56/91/90/976569190.db2.gz RMHUOQDWMUWVNU-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM CCOc1ncccc1Nc1cc(=O)[n-]c(C)n1 ZINC001174455760 976731443 /nfs/dbraw/zinc/73/14/43/976731443.db2.gz XFVHUNSSGAZQBO-UHFFFAOYSA-N -1 3 246.270 2.028 20 0 BEADHM Cc1n[nH]cc1Nc1cc(F)c([O-])cc1F ZINC001174475777 976791595 /nfs/dbraw/zinc/79/15/95/976791595.db2.gz YPNFVBASDCGFPJ-UHFFFAOYSA-N -1 3 225.198 2.446 20 0 BEADHM C/C(=C\CN1CCC(F)(F)C[C@@H]1C)C(=O)[O-] ZINC000696414779 976811779 /nfs/dbraw/zinc/81/17/79/976811779.db2.gz GCSCTLSNQWDEMC-IPQKIJNHSA-N -1 3 233.258 2.137 20 0 BEADHM CCC[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229950501 977032570 /nfs/dbraw/zinc/03/25/70/977032570.db2.gz LSIAWBXMLRWWBW-VIFPVBQESA-N -1 3 232.287 2.434 20 0 BEADHM CCC[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229950501 977032584 /nfs/dbraw/zinc/03/25/84/977032584.db2.gz LSIAWBXMLRWWBW-VIFPVBQESA-N -1 3 232.287 2.434 20 0 BEADHM CCC(CC)Oc1ccccc1-c1nnn[n-]1 ZINC001229954725 977038462 /nfs/dbraw/zinc/03/84/62/977038462.db2.gz NUATXPLQUKLMJX-UHFFFAOYSA-N -1 3 232.287 2.434 20 0 BEADHM CCC(CC)Oc1ccccc1-c1nn[n-]n1 ZINC001229954725 977038472 /nfs/dbraw/zinc/03/84/72/977038472.db2.gz NUATXPLQUKLMJX-UHFFFAOYSA-N -1 3 232.287 2.434 20 0 BEADHM Cc1cncc([N-]c2nonc2C2CC2)c1 ZINC001174756729 977057680 /nfs/dbraw/zinc/05/76/80/977057680.db2.gz OUYKVUHWPDAORV-UHFFFAOYSA-N -1 3 216.244 2.394 20 0 BEADHM Cc1cc(Nc2cc(F)c(F)cc2[O-])n(C)n1 ZINC001174824390 977082818 /nfs/dbraw/zinc/08/28/18/977082818.db2.gz POYUQSLVYAQUAU-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM Cc1cc(Nc2cc(F)c([O-])cc2F)n(C)n1 ZINC001174830687 977091416 /nfs/dbraw/zinc/09/14/16/977091416.db2.gz HHYMOLRLPCGYQP-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM Cc1ncc(Nc2ccc(CC(=O)[O-])cc2)n1C ZINC001174950569 977184462 /nfs/dbraw/zinc/18/44/62/977184462.db2.gz SKYFOTWQJHWBDO-UHFFFAOYSA-N -1 3 245.282 2.099 20 0 BEADHM CCOc1cc(F)cc(Nc2cnc[n-]c2=O)c1 ZINC001175002318 977202842 /nfs/dbraw/zinc/20/28/42/977202842.db2.gz LSHBVCSESZSDHZ-UHFFFAOYSA-N -1 3 249.245 2.464 20 0 BEADHM Cc1c(Nc2c(F)ccc([O-])c2F)cnn1C ZINC001175261594 977357392 /nfs/dbraw/zinc/35/73/92/977357392.db2.gz NTHXYDCHSHHPRU-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM [O-]c1ccc(F)c(Nc2cncnc2)c1F ZINC001175261242 977359039 /nfs/dbraw/zinc/35/90/39/977359039.db2.gz HZFOPXSIJGLDQD-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM Cc1cc(Nc2c(F)ccc([O-])c2F)n(C)n1 ZINC001175261248 977359067 /nfs/dbraw/zinc/35/90/67/977359067.db2.gz IODMJPGQIGIVTO-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM Cn1ccnc1Nc1c(F)ccc([O-])c1F ZINC001175261852 977359704 /nfs/dbraw/zinc/35/97/04/977359704.db2.gz SMXVUZZJTCHAHY-UHFFFAOYSA-N -1 3 225.198 2.148 20 0 BEADHM [O-]c1ccc(F)c(Nc2cnoc2)c1F ZINC001175262482 977363242 /nfs/dbraw/zinc/36/32/42/977363242.db2.gz GMJUXZCCCZJDNF-UHFFFAOYSA-N -1 3 212.155 2.402 20 0 BEADHM COc1ncc(C)cc1[N-]c1nc(C)ns1 ZINC001175336928 977382494 /nfs/dbraw/zinc/38/24/94/977382494.db2.gz MFDYFIGYFCOUON-UHFFFAOYSA-N -1 3 236.300 2.302 20 0 BEADHM COc1ncc([N-]c2nccs2)s1 ZINC001175386531 977401222 /nfs/dbraw/zinc/40/12/22/977401222.db2.gz BKKIPPUJEDSSDU-UHFFFAOYSA-N -1 3 213.287 2.352 20 0 BEADHM c1cc(Nc2ccc(-c3nn[n-]n3)cc2)co1 ZINC001175426851 977424938 /nfs/dbraw/zinc/42/49/38/977424938.db2.gz DZTKQRPAUNYSQK-UHFFFAOYSA-N -1 3 227.227 2.203 20 0 BEADHM Cc1nonc1[N-]c1cccc2cnn(C)c21 ZINC001175440061 977430453 /nfs/dbraw/zinc/43/04/53/977430453.db2.gz CVXYGGDUIJLXHX-UHFFFAOYSA-N -1 3 229.243 2.008 20 0 BEADHM C[C@@H](Oc1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001231118412 977492036 /nfs/dbraw/zinc/49/20/36/977492036.db2.gz NESGFTBMRBFAPJ-SECBINFHSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@@H](Oc1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001231118412 977492045 /nfs/dbraw/zinc/49/20/45/977492045.db2.gz NESGFTBMRBFAPJ-SECBINFHSA-N -1 3 244.298 2.434 20 0 BEADHM CCc1nc(OC(CC)CC)cc(=O)[n-]1 ZINC000721615902 977569835 /nfs/dbraw/zinc/56/98/35/977569835.db2.gz CIPWMDXJHWLCLH-UHFFFAOYSA-N -1 3 210.277 2.312 20 0 BEADHM CN1CCCC(=Nc2c(F)cc([O-])cc2F)C1 ZINC001175578519 977595084 /nfs/dbraw/zinc/59/50/84/977595084.db2.gz LJXZZRFQZCVORW-UHFFFAOYSA-N -1 3 240.253 2.302 20 0 BEADHM Cc1ccc([O-])c(CN2Cc3cccnc3C2)n1 ZINC001231671211 977685417 /nfs/dbraw/zinc/68/54/17/977685417.db2.gz NLMZOIGSBAHWOL-UHFFFAOYSA-N -1 3 241.294 2.006 20 0 BEADHM [O-]c1cc(CN2C[C@@H]3C[C@@H]3C2)ccc1Cl ZINC001231731294 977717347 /nfs/dbraw/zinc/71/73/47/977717347.db2.gz LHFCISBGGMBSSC-AOOOYVTPSA-N -1 3 223.703 2.497 20 0 BEADHM O=c1cc(Nc2ccc(F)cn2)nc(C2CC2)[n-]1 ZINC001175847186 977763013 /nfs/dbraw/zinc/76/30/13/977763013.db2.gz GVRGIGCOJVFFBR-UHFFFAOYSA-N -1 3 246.245 2.337 20 0 BEADHM Cc1cc(Nc2cc(=O)[n-]c(C)n2)cc(C)c1N ZINC001175932292 977820407 /nfs/dbraw/zinc/82/04/07/977820407.db2.gz PYVBCUPELMRKPX-UHFFFAOYSA-N -1 3 244.298 2.433 20 0 BEADHM O=C([O-])CCN1CC[C@H]1c1ccc(F)cc1 ZINC001595055511 977930553 /nfs/dbraw/zinc/93/05/53/977930553.db2.gz MQFNNOLYFVWYIG-NSHDSACASA-N -1 3 223.247 2.047 20 0 BEADHM Cc1noc([N-][C@H](C)c2ncccc2C)n1 ZINC001336772598 977941390 /nfs/dbraw/zinc/94/13/90/977941390.db2.gz GQGNPHYFWSPYRM-MRVPVSSYSA-N -1 3 218.260 2.255 20 0 BEADHM [O-]c1cc(F)cnc1Nc1ccc2nonc2c1 ZINC001176328597 978023485 /nfs/dbraw/zinc/02/34/85/978023485.db2.gz HEHGEOSSZWWHAZ-UHFFFAOYSA-N -1 3 246.201 2.206 20 0 BEADHM Cc1ncc(Nc2csc(C(=O)[O-])c2)n1C ZINC001176437278 978064725 /nfs/dbraw/zinc/06/47/25/978064725.db2.gz QWCHRTWYDDESHQ-UHFFFAOYSA-N -1 3 237.284 2.232 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCC(C)=C(C)C2)n1 ZINC001337145167 978186206 /nfs/dbraw/zinc/18/62/06/978186206.db2.gz IXZKMWVJQQPZIY-UHFFFAOYSA-N -1 3 219.288 2.037 20 0 BEADHM O=C([N-]c1ccsn1)c1c(F)ccnc1F ZINC001597912538 978390013 /nfs/dbraw/zinc/39/00/13/978390013.db2.gz SAXQWPIPFXHRTC-UHFFFAOYSA-N -1 3 241.222 2.069 20 0 BEADHM Cc1nc(N2CCc3ccsc3C2)cc(=O)[n-]1 ZINC001337740602 978480372 /nfs/dbraw/zinc/48/03/72/978480372.db2.gz RNNZHTSCJCVTOQ-UHFFFAOYSA-N -1 3 247.323 2.115 20 0 BEADHM CCCc1ncc(CNc2nc(C)cc(=O)[n-]2)o1 ZINC001337891998 978551179 /nfs/dbraw/zinc/55/11/79/978551179.db2.gz GVEWCOJZGFPCMY-UHFFFAOYSA-N -1 3 248.286 2.043 20 0 BEADHM Cc1nc(N2CC(F)(F)CC[C@H]2C)cc(=O)[n-]1 ZINC001338157980 978622627 /nfs/dbraw/zinc/62/26/27/978622627.db2.gz JFCCOEBWBNFHHG-SSDOTTSWSA-N -1 3 243.257 2.115 20 0 BEADHM [O-]c1coc2ccc(OC3CC(F)(F)C3)cc12 ZINC001233676962 978669232 /nfs/dbraw/zinc/66/92/32/978669232.db2.gz BLTTUNWKPHAEOB-UHFFFAOYSA-N -1 3 240.205 2.438 20 0 BEADHM CCOC[C@@H](C)Oc1ccc2occ([O-])c2c1 ZINC001233677379 978670532 /nfs/dbraw/zinc/67/05/32/978670532.db2.gz JZZVLHLNSHLIQW-SECBINFHSA-N -1 3 236.267 2.066 20 0 BEADHM C[C@@H]1C[C@H](Oc2ccc3occ([O-])c3c2)CCO1 ZINC001233681278 978672287 /nfs/dbraw/zinc/67/22/87/978672287.db2.gz SRQIJWNEIVGDSW-MWLCHTKSSA-N -1 3 248.278 2.208 20 0 BEADHM CCO[C@@H](C)COc1ccc2occ([O-])c2c1 ZINC001233680659 978672842 /nfs/dbraw/zinc/67/28/42/978672842.db2.gz MHJNMJWVYVMIIY-VIFPVBQESA-N -1 3 236.267 2.066 20 0 BEADHM Cc1cc(CN[C@H](C)c2ccc[nH]2)[nH]c1C(=O)[O-] ZINC001600202851 978678583 /nfs/dbraw/zinc/67/85/83/978678583.db2.gz ALGSFERXWPAVRM-SECBINFHSA-N -1 3 247.298 2.200 20 0 BEADHM Cc1ccccc1[C@@H](NC/C=C\Cl)C(=O)[O-] ZINC001600569716 978702005 /nfs/dbraw/zinc/70/20/05/978702005.db2.gz NHNLVUBZQYWLNN-MEQVVJDKSA-N -1 3 239.702 2.463 20 0 BEADHM C[C@H]1COCC[C@@H]1Oc1cccc([O-])c1F ZINC001233868877 978716646 /nfs/dbraw/zinc/71/66/46/978716646.db2.gz CIWBUPHTAKBQSC-WPRPVWTQSA-N -1 3 226.247 2.335 20 0 BEADHM [O-]c1cccc(O[C@H]2CCOC[C@@H]2F)c1F ZINC001233869950 978718391 /nfs/dbraw/zinc/71/83/91/978718391.db2.gz PWLRDMRXPAXVPH-CBAPKCEASA-N -1 3 230.210 2.037 20 0 BEADHM CC1=C(Oc2cccc([O-])c2F)C(=O)O[C@H]1C ZINC001233872068 978720562 /nfs/dbraw/zinc/72/05/62/978720562.db2.gz SZYAUVPLWLBURH-ZETCQYMHSA-N -1 3 238.214 2.129 20 0 BEADHM O=C([O-])[C@H](CF)NCc1ccc(C2CC2)cc1 ZINC001601651789 978827525 /nfs/dbraw/zinc/82/75/25/978827525.db2.gz WEOIYNKZUIYLIH-LBPRGKRZSA-N -1 3 237.274 2.076 20 0 BEADHM [O-]c1cccc2[nH]c(OC[C@H]3CCCCO3)nc21 ZINC001234446822 978840078 /nfs/dbraw/zinc/84/00/78/978840078.db2.gz JEQRTPAXNNXUOM-SECBINFHSA-N -1 3 248.282 2.216 20 0 BEADHM [O-]c1cccc2[nH]c(O[C@@H]3C=CCC3)nc21 ZINC001234448816 978840265 /nfs/dbraw/zinc/84/02/65/978840265.db2.gz ZSGLJFAGMIAUKH-MRVPVSSYSA-N -1 3 216.240 2.366 20 0 BEADHM Cc1ccc(CCNc2nc(C)cc(=O)[n-]2)o1 ZINC001339534341 978865143 /nfs/dbraw/zinc/86/51/43/978865143.db2.gz USYLQGMXQKGETL-UHFFFAOYSA-N -1 3 233.271 2.047 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@@H]2CCC(F)(F)C2)n1 ZINC001339707197 978896927 /nfs/dbraw/zinc/89/69/27/978896927.db2.gz RCNXCSNMTVUEIJ-MRVPVSSYSA-N -1 3 243.257 2.338 20 0 BEADHM CO[C@H](C)COc1nc2ccsc2[n-]1 ZINC001234848468 978917013 /nfs/dbraw/zinc/91/70/13/978917013.db2.gz PUUCGTHFKAZCQC-ZCFIWIBFSA-N -1 3 212.274 2.038 20 0 BEADHM CO[C@H](C)COc1nc2sccc2[n-]1 ZINC001234848468 978917017 /nfs/dbraw/zinc/91/70/17/978917017.db2.gz PUUCGTHFKAZCQC-ZCFIWIBFSA-N -1 3 212.274 2.038 20 0 BEADHM C[C@H]1COCC[C@@H]1Oc1nc2ccsc2[n-]1 ZINC001234854331 978919335 /nfs/dbraw/zinc/91/93/35/978919335.db2.gz KMGYIVLJBHMWBS-CBAPKCEASA-N -1 3 238.312 2.428 20 0 BEADHM C[C@H]1COCC[C@@H]1Oc1nc2sccc2[n-]1 ZINC001234854331 978919342 /nfs/dbraw/zinc/91/93/42/978919342.db2.gz KMGYIVLJBHMWBS-CBAPKCEASA-N -1 3 238.312 2.428 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2CCS[C@@H](C)C2)n1 ZINC001339827579 978920832 /nfs/dbraw/zinc/92/08/32/978920832.db2.gz BEKDZYDYILYTPW-DTWKUNHWSA-N -1 3 239.344 2.187 20 0 BEADHM Cc1cccnc1[C@@H](C)Nc1cc(=O)[n-]cn1 ZINC001339870806 978931978 /nfs/dbraw/zinc/93/19/78/978931978.db2.gz DULNSBPYIDMBJI-SECBINFHSA-N -1 3 230.271 2.059 20 0 BEADHM CCO[N-]C(=O)C[C@H]1CCNc2ccccc21 ZINC001340772882 979103722 /nfs/dbraw/zinc/10/37/22/979103722.db2.gz FFMFLECECWVWQJ-SNVBAGLBSA-N -1 3 234.299 2.044 20 0 BEADHM CC(C)[C@@H](C)C(=O)Nc1cncc([O-])c1 ZINC001181463252 979114211 /nfs/dbraw/zinc/11/42/11/979114211.db2.gz UNGUCVLMQSOXRS-MRVPVSSYSA-N -1 3 208.261 2.018 20 0 BEADHM O=C([O-])c1csc(CN2CC(C3CC3)C2)c1 ZINC001602560791 979132851 /nfs/dbraw/zinc/13/28/51/979132851.db2.gz KIWLUPZTXFMHRP-UHFFFAOYSA-N -1 3 237.324 2.288 20 0 BEADHM Nc1ccc(-c2cc([O-])cc(Cl)c2)nn1 ZINC001235898258 979190729 /nfs/dbraw/zinc/19/07/29/979190729.db2.gz DYXQWPZZMMFEBW-UHFFFAOYSA-N -1 3 221.647 2.085 20 0 BEADHM CC(C)(/C=C/Cl)NCc1c[nH]c(C(=O)[O-])c1 ZINC001603575933 979476957 /nfs/dbraw/zinc/47/69/57/979476957.db2.gz RFKBIZNXTNAZCK-ONEGZZNKSA-N -1 3 242.706 2.334 20 0 BEADHM C[C@H](F)CCNc1ccc(-c2nn[n-]n2)cc1 ZINC001603598538 979485832 /nfs/dbraw/zinc/48/58/32/979485832.db2.gz IKJOEOZKAXNLGZ-QMMMGPOBSA-N -1 3 235.266 2.027 20 0 BEADHM CC1(COc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001603807399 979527855 /nfs/dbraw/zinc/52/78/55/979527855.db2.gz DAARVTJUQBATFU-UHFFFAOYSA-N -1 3 244.298 2.436 20 0 BEADHM CC1(COc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001603807399 979527860 /nfs/dbraw/zinc/52/78/60/979527860.db2.gz DAARVTJUQBATFU-UHFFFAOYSA-N -1 3 244.298 2.436 20 0 BEADHM CC[C@H](C)CCNc1cc(-c2nnn[n-]2)ccn1 ZINC001604006337 979555308 /nfs/dbraw/zinc/55/53/08/979555308.db2.gz YYBUQMBGYKMVNE-VIFPVBQESA-N -1 3 246.318 2.110 20 0 BEADHM CC[C@H](C)CCNc1cc(-c2nn[n-]n2)ccn1 ZINC001604006337 979555313 /nfs/dbraw/zinc/55/53/13/979555313.db2.gz YYBUQMBGYKMVNE-VIFPVBQESA-N -1 3 246.318 2.110 20 0 BEADHM Cc1ccc(F)c(-c2cccoc2=O)c1[O-] ZINC001236413761 979577178 /nfs/dbraw/zinc/57/71/78/979577178.db2.gz FYEHABDTOFNHFK-UHFFFAOYSA-N -1 3 220.199 2.460 20 0 BEADHM CCn1cc(-c2c(F)ccc(C)c2[O-])ncc1=O ZINC001236415559 979587616 /nfs/dbraw/zinc/58/76/16/979587616.db2.gz QOZYGNIPONWACV-UHFFFAOYSA-N -1 3 248.257 2.083 20 0 BEADHM [O-]c1cc(CN2Cc3cccnc3C2)ccc1F ZINC001236704306 979697982 /nfs/dbraw/zinc/69/79/82/979697982.db2.gz VIWARIVJUGFLSI-UHFFFAOYSA-N -1 3 244.269 2.442 20 0 BEADHM [O-]c1cc(CN2C[C@@H](F)[C@@H](F)C2)ccc1F ZINC001236704188 979698116 /nfs/dbraw/zinc/69/81/16/979698116.db2.gz TZWSACPGJDYCGQ-AOOOYVTPSA-N -1 3 231.217 2.023 20 0 BEADHM C[C@@H]1CN(Cc2ccc(F)c([O-])c2)[C@H](C)CO1 ZINC001236707737 979704632 /nfs/dbraw/zinc/70/46/32/979704632.db2.gz KDYJFYDKNMQXIO-NXEZZACHSA-N -1 3 239.290 2.141 20 0 BEADHM CC1(C)CN(Cc2sc(=O)[n-]c2Cl)C1 ZINC001237160692 979823351 /nfs/dbraw/zinc/82/33/51/979823351.db2.gz JDOPVBAXQNOPBB-UHFFFAOYSA-N -1 3 232.736 2.344 20 0 BEADHM [S-]c1ccoc1CN1Cc2ccncc2C1 ZINC001237192265 979843054 /nfs/dbraw/zinc/84/30/54/979843054.db2.gz RUAYAGXNUUNRKC-UHFFFAOYSA-N -1 3 232.308 2.479 20 0 BEADHM CC1(F)CN(Cc2cc([O-])cc(F)c2)C1 ZINC001237278453 979860863 /nfs/dbraw/zinc/86/08/63/979860863.db2.gz YGHFXMYSWYWFFE-UHFFFAOYSA-N -1 3 213.227 2.075 20 0 BEADHM [O-]c1cc(F)cc(CN2CC(F)(C3CC3)C2)c1 ZINC001237284575 979863053 /nfs/dbraw/zinc/86/30/53/979863053.db2.gz JAGJGOSBEDHSQH-UHFFFAOYSA-N -1 3 239.265 2.465 20 0 BEADHM C[C@@H]1C[C@H](F)CN1Cc1cc([O-])cc(F)c1 ZINC001237285537 979863609 /nfs/dbraw/zinc/86/36/09/979863609.db2.gz UVMLQSXNUPKEOV-KCJUWKMLSA-N -1 3 227.254 2.464 20 0 BEADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@@H]1C[C@H]1C ZINC001605543448 979890344 /nfs/dbraw/zinc/89/03/44/979890344.db2.gz QNBCINWLRBVSLS-KCJUWKMLSA-N -1 3 244.298 2.210 20 0 BEADHM Cc1cc(F)c(-c2nnn[n-]2)c(NCC(C)C)c1 ZINC001605673050 979907272 /nfs/dbraw/zinc/90/72/72/979907272.db2.gz XGEGNHDGMLXBPL-UHFFFAOYSA-N -1 3 249.293 2.382 20 0 BEADHM Cc1cc(F)c(-c2nn[n-]n2)c(NCC(C)C)c1 ZINC001605673050 979907280 /nfs/dbraw/zinc/90/72/80/979907280.db2.gz XGEGNHDGMLXBPL-UHFFFAOYSA-N -1 3 249.293 2.382 20 0 BEADHM O=C([O-])C1CC(NCc2cscc2Cl)C1 ZINC001605983345 979943075 /nfs/dbraw/zinc/94/30/75/979943075.db2.gz IXTXCRHUXPUMTI-UHFFFAOYSA-N -1 3 245.731 2.354 20 0 BEADHM CN(CCCF)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001606121039 979957062 /nfs/dbraw/zinc/95/70/62/979957062.db2.gz LZOBXVKETLUYER-WAYWQWQTSA-N -1 3 241.262 2.169 20 0 BEADHM Cc1oc(CN2CC[C@H]2C2CC2)cc1C(=O)[O-] ZINC001608047880 980154872 /nfs/dbraw/zinc/15/48/72/980154872.db2.gz DKQXBEZQTKNBRT-LBPRGKRZSA-N -1 3 235.283 2.271 20 0 BEADHM CC[C@@H](C)CCC(=O)Nc1cc(=O)[n-]c(C)n1 ZINC001185561670 980245056 /nfs/dbraw/zinc/24/50/56/980245056.db2.gz ALRHETCANJVQFD-MRVPVSSYSA-N -1 3 237.303 2.255 20 0 BEADHM FC(F)n1cc(-c2ccc(=S)[n-]n2)cn1 ZINC001238863613 980350603 /nfs/dbraw/zinc/35/06/03/980350603.db2.gz LPSDWDRRJTZZHI-UHFFFAOYSA-N -1 3 228.227 2.024 20 0 BEADHM CCc1cccc(CC(=O)[N-]OC(C)C)c1 ZINC001344389793 980383743 /nfs/dbraw/zinc/38/37/43/980383743.db2.gz RAZLOWYDIGACON-UHFFFAOYSA-N -1 3 221.300 2.248 20 0 BEADHM CC(C)(CC1CC1)[N-]S(=O)(=O)c1ccco1 ZINC001186883461 980449818 /nfs/dbraw/zinc/44/98/18/980449818.db2.gz CVWPRCCUVQBZNJ-UHFFFAOYSA-N -1 3 243.328 2.137 20 0 BEADHM Cc1cc(C(=O)Nc2ccc(F)c([O-])c2)c[nH]1 ZINC001188197720 980618685 /nfs/dbraw/zinc/61/86/85/980618685.db2.gz IIXNKWLPHNAEHZ-UHFFFAOYSA-N -1 3 234.230 2.420 20 0 BEADHM CCc1cccc(C(=O)NOC(C)(C)C)c1[O-] ZINC000156106113 980630835 /nfs/dbraw/zinc/63/08/35/980630835.db2.gz BZXAPKWWOAZCJB-UHFFFAOYSA-N -1 3 237.299 2.415 20 0 BEADHM Cc1cc(C(=O)Nc2ccc(F)c([O-])c2)ccn1 ZINC001188788104 980708177 /nfs/dbraw/zinc/70/81/77/980708177.db2.gz NIXVLWZQKYFVMH-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Fc1cc(-c2cccnc2)ccc1-c1nnn[n-]1 ZINC001239569766 980757797 /nfs/dbraw/zinc/75/77/97/980757797.db2.gz XQGMNHVPFUJPCC-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1cc(-c2cccnc2)ccc1-c1nn[n-]n1 ZINC001239569766 980757805 /nfs/dbraw/zinc/75/78/05/980757805.db2.gz XQGMNHVPFUJPCC-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccnc1 ZINC001239571170 980759071 /nfs/dbraw/zinc/75/90/71/980759071.db2.gz AMMMAMUQXGLWCX-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccnc1 ZINC001239571170 980759075 /nfs/dbraw/zinc/75/90/75/980759075.db2.gz AMMMAMUQXGLWCX-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM O=C(Nc1cc2ccccc2s1)c1cnn[n-]1 ZINC001189338956 980773199 /nfs/dbraw/zinc/77/31/99/980773199.db2.gz ZZDIFEUYVGLMIC-UHFFFAOYSA-N -1 3 244.279 2.272 20 0 BEADHM O=C(Nc1cc2ccccc2s1)c1c[n-]nn1 ZINC001189338956 980773201 /nfs/dbraw/zinc/77/32/01/980773201.db2.gz ZZDIFEUYVGLMIC-UHFFFAOYSA-N -1 3 244.279 2.272 20 0 BEADHM O=C(Nc1cc2ccccc2s1)c1cn[n-]n1 ZINC001189338956 980773204 /nfs/dbraw/zinc/77/32/04/980773204.db2.gz ZZDIFEUYVGLMIC-UHFFFAOYSA-N -1 3 244.279 2.272 20 0 BEADHM Fc1cncc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001240236369 981199689 /nfs/dbraw/zinc/19/96/89/981199689.db2.gz KVHSVLOURIGYCH-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1cncc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001240236369 981199694 /nfs/dbraw/zinc/19/96/94/981199694.db2.gz KVHSVLOURIGYCH-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM CSCC[C@@H](C)N(C)c1nc(C)cc(=O)[n-]1 ZINC001348021320 981248456 /nfs/dbraw/zinc/24/84/56/981248456.db2.gz OQTWCRMZZNVTPO-SECBINFHSA-N -1 3 241.360 2.068 20 0 BEADHM CC/C=C/CN[C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001595520457 981336047 /nfs/dbraw/zinc/33/60/47/981336047.db2.gz GHDKHIZYMMNNNW-YEZKRMTDSA-N -1 3 234.299 2.397 20 0 BEADHM CC(C)OC(=O)Nc1cc(F)ccc1[O-] ZINC001193487449 981350534 /nfs/dbraw/zinc/35/05/34/981350534.db2.gz KBBHMTKCFWMXDP-UHFFFAOYSA-N -1 3 213.208 2.488 20 0 BEADHM S=c1ccc(-c2ccn3ccnc3c2)n[n-]1 ZINC001240503433 981432176 /nfs/dbraw/zinc/43/21/76/981432176.db2.gz APSJWFHJDGYDAD-UHFFFAOYSA-N -1 3 228.280 2.080 20 0 BEADHM CC1=CC(=O)CN=C1[N-]C(=O)OCC(C)C ZINC001193802136 981452663 /nfs/dbraw/zinc/45/26/63/981452663.db2.gz PTOOKRJHSOVECM-UHFFFAOYSA-N -1 3 224.260 2.300 20 0 BEADHM Nc1ccnc(-c2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001240548051 981471386 /nfs/dbraw/zinc/47/13/86/981471386.db2.gz JTAXIHNHSPCRIC-SNAWJCMRSA-N -1 3 240.262 2.429 20 0 BEADHM Cc1cnccc1-c1ccccc1-c1nnn[n-]1 ZINC001240608907 981500702 /nfs/dbraw/zinc/50/07/02/981500702.db2.gz SEQLIGILPDKDII-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1cnccc1-c1ccccc1-c1nn[n-]n1 ZINC001240608907 981500709 /nfs/dbraw/zinc/50/07/09/981500709.db2.gz SEQLIGILPDKDII-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1cc(O)ccc1-c1ccc(=S)[n-]n1 ZINC001240643101 981535120 /nfs/dbraw/zinc/53/51/20/981535120.db2.gz TZVGHVLGAFLECK-UHFFFAOYSA-N -1 3 218.281 2.446 20 0 BEADHM CCCOC(=O)Nc1cc(F)ccc1[O-] ZINC001194118523 981560413 /nfs/dbraw/zinc/56/04/13/981560413.db2.gz WTGQAIYZQXQCJU-UHFFFAOYSA-N -1 3 213.208 2.490 20 0 BEADHM Cc1nc(NC(=O)OCC(C)(C)C)cc(=O)[n-]1 ZINC001194360455 981736082 /nfs/dbraw/zinc/73/60/82/981736082.db2.gz SHXBNAFJLVKACY-UHFFFAOYSA-N -1 3 239.275 2.085 20 0 BEADHM FCCSc1cccc(F)c1-c1nnn[n-]1 ZINC001581852262 981746830 /nfs/dbraw/zinc/74/68/30/981746830.db2.gz RKVSZYFMQLXXTP-UHFFFAOYSA-N -1 3 242.254 2.067 20 0 BEADHM Cc1cncnc1-c1ccc([O-])c(F)c1 ZINC001240782956 981821559 /nfs/dbraw/zinc/82/15/59/981821559.db2.gz GUSQCOGWXCAHEN-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM [O-]c1ccc(-c2nccc3nc[nH]c32)cc1F ZINC001240782886 981823595 /nfs/dbraw/zinc/82/35/95/981823595.db2.gz IVQMXUZNWCATIJ-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM [O-]c1ccc(-c2cccn3ncnc23)cc1F ZINC001240785605 981829734 /nfs/dbraw/zinc/82/97/34/981829734.db2.gz IQWIXNNYRQBSLY-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM O=c1occ2[nH]cc(-c3ccc([O-])c(F)c3)cc1-2 ZINC001240789313 981835305 /nfs/dbraw/zinc/83/53/05/981835305.db2.gz XRLYQQKKHLLDKP-UHFFFAOYSA-N -1 3 245.209 2.264 20 0 BEADHM Cc1ncc(-c2ccc([O-])c(F)c2)cc1C(N)=O ZINC001240788621 981835812 /nfs/dbraw/zinc/83/58/12/981835812.db2.gz JBQKKFYTDPYBGM-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM CC[C@H]1CCC[C@H]1C[N-]C(=O)C(F)(F)F ZINC001350020311 981849745 /nfs/dbraw/zinc/84/97/45/981849745.db2.gz YQKMFQISOFTFEG-YUMQZZPRSA-N -1 3 223.238 2.491 20 0 BEADHM Cc1cncc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001240804719 981858691 /nfs/dbraw/zinc/85/86/91/981858691.db2.gz NVANJPIBGUAPLY-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1cncc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001240804719 981858699 /nfs/dbraw/zinc/85/86/99/981858699.db2.gz NVANJPIBGUAPLY-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM CC1(CC(=O)[N-]Oc2ccc(F)cc2)CC1 ZINC001350535800 981993666 /nfs/dbraw/zinc/99/36/66/981993666.db2.gz OTGFZSVTZSWYHP-UHFFFAOYSA-N -1 3 223.247 2.426 20 0 BEADHM Cc1ccc(-c2ccc(=S)[n-]n2)cc1N ZINC001240961500 982033521 /nfs/dbraw/zinc/03/35/21/982033521.db2.gz VVVAXYDCMVAKJS-UHFFFAOYSA-N -1 3 217.297 2.323 20 0 BEADHM CC[C@@H](C)OC(=O)Nc1cncc([O-])c1 ZINC001195075654 982051458 /nfs/dbraw/zinc/05/14/58/982051458.db2.gz DLXJRGRVOBQPBQ-SSDOTTSWSA-N -1 3 210.233 2.134 20 0 BEADHM [O-]c1ccccc1-c1nccc2nccnc21 ZINC001241001585 982085836 /nfs/dbraw/zinc/08/58/36/982085836.db2.gz AEVDOSSHTRUEBR-UHFFFAOYSA-N -1 3 223.235 2.397 20 0 BEADHM [O-]c1ccccc1-c1ncnc2scnc21 ZINC001241001697 982087683 /nfs/dbraw/zinc/08/76/83/982087683.db2.gz FKYHAAKXNSNHIY-UHFFFAOYSA-N -1 3 229.264 2.459 20 0 BEADHM COC(=O)Cc1cccc(-c2ccccc2[O-])n1 ZINC001241003413 982089216 /nfs/dbraw/zinc/08/92/16/982089216.db2.gz LNZYWMUXRXVZTH-UHFFFAOYSA-N -1 3 243.262 2.170 20 0 BEADHM CC(C)[C@@H](C)NC(=O)c1ccc(Cl)[n-]c1=O ZINC001195127442 982107103 /nfs/dbraw/zinc/10/71/03/982107103.db2.gz CYASXEORTADYLD-SSDOTTSWSA-N -1 3 242.706 2.215 20 0 BEADHM C[S@](=O)c1ccc(-c2ccccc2[O-])nc1 ZINC001241020300 982116385 /nfs/dbraw/zinc/11/63/85/982116385.db2.gz YLRKCLLJDKIPTE-INIZCTEOSA-N -1 3 233.292 2.192 20 0 BEADHM Cc1ccc(-c2cnc(C)cn2)c([O-])c1 ZINC001241028680 982124388 /nfs/dbraw/zinc/12/43/88/982124388.db2.gz QSTYVLFBKZSTGZ-UHFFFAOYSA-N -1 3 200.241 2.466 20 0 BEADHM Cc1ccc(-c2ccc(F)nn2)c([O-])c1 ZINC001241031053 982126451 /nfs/dbraw/zinc/12/64/51/982126451.db2.gz WLCWWCYDNUBXLX-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM COc1ncnc(-c2ccc(C)cc2[O-])c1OC ZINC001241030372 982127377 /nfs/dbraw/zinc/12/73/77/982127377.db2.gz IXIJRJIVPKWRGG-UHFFFAOYSA-N -1 3 246.266 2.175 20 0 BEADHM Cc1ccc(-c2nc3nc[nH]c3c(C)n2)c([O-])c1 ZINC001241030284 982128816 /nfs/dbraw/zinc/12/88/16/982128816.db2.gz GXJZBKJTLRDLQX-UHFFFAOYSA-N -1 3 240.266 2.294 20 0 BEADHM Cc1ccc(-c2cc3c(nn2)CCOC3)c([O-])c1 ZINC001241036385 982138982 /nfs/dbraw/zinc/13/89/82/982138982.db2.gz WMCXJWJQQFTFBF-UHFFFAOYSA-N -1 3 242.278 2.230 20 0 BEADHM Oc1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC001241061196 982162276 /nfs/dbraw/zinc/16/22/76/982162276.db2.gz BEVVBRBZFHDMKT-UHFFFAOYSA-N -1 3 204.254 2.138 20 0 BEADHM C=C=CCNc1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001588466644 982244640 /nfs/dbraw/zinc/24/46/40/982244640.db2.gz FNKUPGYNGMTGAW-UHFFFAOYSA-N -1 3 245.261 2.067 20 0 BEADHM C=C=CCNc1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001588466644 982244651 /nfs/dbraw/zinc/24/46/51/982244651.db2.gz FNKUPGYNGMTGAW-UHFFFAOYSA-N -1 3 245.261 2.067 20 0 BEADHM Nc1ccnc(-c2ccc(C(=O)[O-])c(F)c2)c1 ZINC001241182381 982330472 /nfs/dbraw/zinc/33/04/72/982330472.db2.gz SNEKUTLVMBVYKI-UHFFFAOYSA-N -1 3 232.214 2.168 20 0 BEADHM Cc1cc(N(C)C)ncc1-c1ccc(=S)[n-]n1 ZINC001241239768 982386247 /nfs/dbraw/zinc/38/62/47/982386247.db2.gz CTGZLQTVQAEOPR-UHFFFAOYSA-N -1 3 246.339 2.202 20 0 BEADHM O=C1Cc2ccc(-c3cc([O-])cc(F)c3)nc2N1 ZINC001241257235 982393921 /nfs/dbraw/zinc/39/39/21/982393921.db2.gz IFCBZEHQKHMTMI-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM COc1nnc(-c2cc([O-])cc(F)c2)cc1C ZINC001241256572 982394495 /nfs/dbraw/zinc/39/44/95/982394495.db2.gz XZJFMXRONCJEHN-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM Cc1cncnc1-c1cc([O-])cc(F)c1 ZINC001241257962 982395254 /nfs/dbraw/zinc/39/52/54/982395254.db2.gz QJOXXXKWTGVSEV-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM O=C1NCc2c1cccc2-c1cc([O-])cc(F)c1 ZINC001241266162 982400032 /nfs/dbraw/zinc/40/00/32/982400032.db2.gz GONALQHDEVLMEU-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM COC(=O)c1ccc(-c2cc([O-])cc(F)c2)cn1 ZINC001241266941 982402314 /nfs/dbraw/zinc/40/23/14/982402314.db2.gz PGZJYMZTBFBESB-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM O=C1NCc2cccc(-c3cc([O-])cc(F)c3)c21 ZINC001241267498 982402931 /nfs/dbraw/zinc/40/29/31/982402931.db2.gz WZLWJCPRIUFKLT-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM [O-]c1cc(F)cc(-c2cccn3cnnc23)c1 ZINC001241272487 982405460 /nfs/dbraw/zinc/40/54/60/982405460.db2.gz QTDSJJVHFUGMAX-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cc1cc(-c2cc([O-])cc(F)c2)cn(C)c1=O ZINC001241276961 982408155 /nfs/dbraw/zinc/40/81/55/982408155.db2.gz FACORHZOFUZYJT-UHFFFAOYSA-N -1 3 233.242 2.205 20 0 BEADHM CC(C)n1cc(-c2cc([O-])cc(F)c2)cnc1=O ZINC001241280274 982417004 /nfs/dbraw/zinc/41/70/04/982417004.db2.gz HRQZCDSDGXNPSK-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM [O-]c1ccc(F)c(-c2cccn3cnnc23)c1F ZINC001241293052 982432276 /nfs/dbraw/zinc/43/22/76/982432276.db2.gz PRBQMZJOLXMDES-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM C[C@@H](CC(=O)[O-])[NH2+][C@@H](C)c1cccc([O-])c1F ZINC001589004568 982567577 /nfs/dbraw/zinc/56/75/77/982567577.db2.gz KRRLSDQCUHARMM-YUMQZZPRSA-N -1 3 241.262 2.045 20 0 BEADHM Fc1ccnc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241440867 982591189 /nfs/dbraw/zinc/59/11/89/982591189.db2.gz CKXCXKCCFYBFAU-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1ccnc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241440867 982591195 /nfs/dbraw/zinc/59/11/95/982591195.db2.gz CKXCXKCCFYBFAU-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Cn1ncc2cccc(-c3ccc(=S)[n-]n3)c21 ZINC001241456178 982611096 /nfs/dbraw/zinc/61/10/96/982611096.db2.gz WNTYVBKRPTZDJP-UHFFFAOYSA-N -1 3 242.307 2.319 20 0 BEADHM CC[C@@H](C)CNC(=S)Nc1cncc([O-])c1 ZINC001200238662 982722650 /nfs/dbraw/zinc/72/26/50/982722650.db2.gz AHFNCVYGHGTAJB-MRVPVSSYSA-N -1 3 239.344 2.120 20 0 BEADHM C=CS(=O)(=O)[N-]c1ccc2cc(C)ccc2n1 ZINC001198567021 982756657 /nfs/dbraw/zinc/75/66/57/982756657.db2.gz MSVILHMRLXVQIW-UHFFFAOYSA-N -1 3 248.307 2.428 20 0 BEADHM C=CS(=O)(=O)[N-]c1cccc(C2CCC2)n1 ZINC001198579626 982801051 /nfs/dbraw/zinc/80/10/51/982801051.db2.gz ZEFFWWSPWLWDLQ-UHFFFAOYSA-N -1 3 238.312 2.234 20 0 BEADHM C[C@@H]1C[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1F ZINC001590219358 982904556 /nfs/dbraw/zinc/90/45/56/982904556.db2.gz JBFRCINFCZVOBH-VXNVDRBHSA-N -1 3 247.277 2.074 20 0 BEADHM CCC(C)(C)CNc1cc(-c2nnn[n-]2)ccn1 ZINC001590376204 982930443 /nfs/dbraw/zinc/93/04/43/982930443.db2.gz YYUYYLLABAVFFF-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CCC(C)(C)CNc1cc(-c2nn[n-]n2)ccn1 ZINC001590376204 982930454 /nfs/dbraw/zinc/93/04/54/982930454.db2.gz YYUYYLLABAVFFF-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CC/C=C/CNc1ccc(-c2nn[n-]n2)cc1 ZINC001590531890 982952045 /nfs/dbraw/zinc/95/20/45/982952045.db2.gz PWKJPAZQWYKEPM-ONEGZZNKSA-N -1 3 229.287 2.245 20 0 BEADHM CCC[C@@H](CC)Nc1ncccc1-c1nnn[n-]1 ZINC001590553308 982956123 /nfs/dbraw/zinc/95/61/23/982956123.db2.gz CFOWXULNWUSZFQ-SECBINFHSA-N -1 3 246.318 2.252 20 0 BEADHM CCC[C@@H](CC)Nc1ncccc1-c1nn[n-]n1 ZINC001590553308 982956139 /nfs/dbraw/zinc/95/61/39/982956139.db2.gz CFOWXULNWUSZFQ-SECBINFHSA-N -1 3 246.318 2.252 20 0 BEADHM CC[C@@H]1C[C@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001590860295 983000548 /nfs/dbraw/zinc/00/05/48/983000548.db2.gz LJUUWPMPXYKSJR-GMSGAONNSA-N -1 3 247.277 2.216 20 0 BEADHM CC[C@@H]1C[C@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001590860295 983000559 /nfs/dbraw/zinc/00/05/59/983000559.db2.gz LJUUWPMPXYKSJR-GMSGAONNSA-N -1 3 247.277 2.216 20 0 BEADHM Cc1oc(CN[C@@H]2C=CCCC2)cc1C(=O)[O-] ZINC001353921549 983078336 /nfs/dbraw/zinc/07/83/36/983078336.db2.gz HVPUFHOOZZEENE-SNVBAGLBSA-N -1 3 235.283 2.485 20 0 BEADHM Cc1cc(-c2nn[n-]n2)ccc1NCC1(C)CC1 ZINC001591872300 983098212 /nfs/dbraw/zinc/09/82/12/983098212.db2.gz VYWKDVLJOZBMEY-UHFFFAOYSA-N -1 3 243.314 2.387 20 0 BEADHM Cc1cc(N[C@@H]2CC[C@@H]2C)cc(-c2nnn[n-]2)c1 ZINC001592037458 983112902 /nfs/dbraw/zinc/11/29/02/983112902.db2.gz OIJHSAIJCXNQNM-JOYOIKCWSA-N -1 3 243.314 2.386 20 0 BEADHM Cc1cc(N[C@@H]2CC[C@@H]2C)cc(-c2nn[n-]n2)c1 ZINC001592037458 983112911 /nfs/dbraw/zinc/11/29/11/983112911.db2.gz OIJHSAIJCXNQNM-JOYOIKCWSA-N -1 3 243.314 2.386 20 0 BEADHM Cc1cc(OC[C@H]2C[C@H]2C)ccc1-c1nn[n-]n1 ZINC001592058781 983113458 /nfs/dbraw/zinc/11/34/58/983113458.db2.gz HAHDQAKVHGIBOU-PSASIEDQSA-N -1 3 244.298 2.210 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@H]2CCCC23CC3)n1 ZINC001354248351 983222491 /nfs/dbraw/zinc/22/24/91/983222491.db2.gz WQZMSVNWGZIGJH-VIFPVBQESA-N -1 3 219.288 2.235 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2CCCC23CC3)n1 ZINC001354248349 983224129 /nfs/dbraw/zinc/22/41/29/983224129.db2.gz WQZMSVNWGZIGJH-SECBINFHSA-N -1 3 219.288 2.235 20 0 BEADHM c1cn(CC2CC3(CCC3)C2)cc1-c1nnn[n-]1 ZINC001593582093 983303090 /nfs/dbraw/zinc/30/30/90/983303090.db2.gz HAGBEERWIJMLDF-UHFFFAOYSA-N -1 3 243.314 2.249 20 0 BEADHM c1cn(CC2CC3(CCC3)C2)cc1-c1nn[n-]n1 ZINC001593582093 983303093 /nfs/dbraw/zinc/30/30/93/983303093.db2.gz HAGBEERWIJMLDF-UHFFFAOYSA-N -1 3 243.314 2.249 20 0 BEADHM c1cn(CCCC2CCC2)cc1-c1nnn[n-]1 ZINC001593583067 983308581 /nfs/dbraw/zinc/30/85/81/983308581.db2.gz MIWGYUMCOGFJKR-UHFFFAOYSA-N -1 3 231.303 2.249 20 0 BEADHM c1cn(CCCC2CCC2)cc1-c1nn[n-]n1 ZINC001593583067 983308589 /nfs/dbraw/zinc/30/85/89/983308589.db2.gz MIWGYUMCOGFJKR-UHFFFAOYSA-N -1 3 231.303 2.249 20 0 BEADHM Cc1noc(C)c1-c1ccccc1-c1nnn[n-]1 ZINC001242107008 983354136 /nfs/dbraw/zinc/35/41/36/983354136.db2.gz VISPVXAMDFCKJD-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM Cc1noc(C)c1-c1ccccc1-c1nn[n-]n1 ZINC001242107008 983354141 /nfs/dbraw/zinc/35/41/41/983354141.db2.gz VISPVXAMDFCKJD-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM CCCc1ccc(CN[C@H](CF)C(=O)[O-])cc1 ZINC001596064258 983376551 /nfs/dbraw/zinc/37/65/51/983376551.db2.gz CHPQUZBXAYAXCH-GFCCVEGCSA-N -1 3 239.290 2.151 20 0 BEADHM Nc1cccc(C(=S)Nc2cncc([O-])c2)c1 ZINC001201641609 983394831 /nfs/dbraw/zinc/39/48/31/983394831.db2.gz HWNWOHVLNHPHIJ-UHFFFAOYSA-N -1 3 245.307 2.157 20 0 BEADHM CN(C)c1ccccc1-c1ccc(=S)[n-]n1 ZINC001242178699 983396049 /nfs/dbraw/zinc/39/60/49/983396049.db2.gz QMQMVYXIWWTFLP-UHFFFAOYSA-N -1 3 231.324 2.498 20 0 BEADHM NCc1cccc(-c2ccc(F)cc2[O-])n1 ZINC001242215858 983413573 /nfs/dbraw/zinc/41/35/73/983413573.db2.gz JPCWJTITQZONTQ-UHFFFAOYSA-N -1 3 218.231 2.052 20 0 BEADHM Nc1cnccc1-c1ccc(F)cc1[O-] ZINC001242217518 983416619 /nfs/dbraw/zinc/41/66/19/983416619.db2.gz QNGOOYANYMVZTH-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM Cc1cc(-c2ccc(F)cc2[O-])cnc1C(N)=O ZINC001242219284 983417821 /nfs/dbraw/zinc/41/78/21/983417821.db2.gz ATXYCCUIVSGBCK-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM Cn1cnc2cc(-c3ccc(F)cc3[O-])cnc21 ZINC001242218270 983419244 /nfs/dbraw/zinc/41/92/44/983419244.db2.gz ZJUPFPNDZAXGDB-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM NC(=O)Cc1ccccc1-c1ccc(F)cc1[O-] ZINC001242219419 983425259 /nfs/dbraw/zinc/42/52/59/983425259.db2.gz SISNLISCZBHGRQ-UHFFFAOYSA-N -1 3 245.253 2.226 20 0 BEADHM [O-]c1c(F)cccc1-c1ccn2ncnc2c1 ZINC001242351336 983623196 /nfs/dbraw/zinc/62/31/96/983623196.db2.gz GXXGEVZMZKQIKC-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM NCc1cccc(-c2cccc(C(=O)[O-])c2F)n1 ZINC001242378393 983669196 /nfs/dbraw/zinc/66/91/96/983669196.db2.gz XEJDUAUVAZVHLV-UHFFFAOYSA-N -1 3 246.241 2.045 20 0 BEADHM CC(C)n1ccc(-c2ccc(=S)[n-]n2)n1 ZINC001242452764 983749575 /nfs/dbraw/zinc/74/95/75/983749575.db2.gz PLJQJHVUUHCSJT-UHFFFAOYSA-N -1 3 220.301 2.210 20 0 BEADHM C[C@@H](O)c1cccc(-c2ccc(=S)[n-]n2)c1 ZINC001242551568 983872697 /nfs/dbraw/zinc/87/26/97/983872697.db2.gz XJJCXLQQSCBQJE-MRVPVSSYSA-N -1 3 232.308 2.486 20 0 BEADHM [S-]c1cccc(-c2ncc3c(n2)CCNC3)c1 ZINC001242865735 984209454 /nfs/dbraw/zinc/20/94/54/984209454.db2.gz OTYPNSMISZWHFV-UHFFFAOYSA-N -1 3 243.335 2.078 20 0 BEADHM NC(=O)c1ccc(F)cc1-c1ccc(F)c([O-])c1 ZINC001243045977 984386991 /nfs/dbraw/zinc/38/69/91/984386991.db2.gz DTEWFACYZRODAS-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM Cc1nccnc1-c1ccc(F)c([O-])c1 ZINC001243047741 984391086 /nfs/dbraw/zinc/39/10/86/984391086.db2.gz FQRWVQCNTICBBB-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM COC(=O)c1cncc(-c2ccc(F)c([O-])c2)c1 ZINC001243047301 984391924 /nfs/dbraw/zinc/39/19/24/984391924.db2.gz AVUVGRNULKCJTF-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM [O-]c1cc(-c2ccc(=S)[nH]n2)ccc1F ZINC001243046721 984392908 /nfs/dbraw/zinc/39/29/08/984392908.db2.gz HDBAEKRLEHLXHE-UHFFFAOYSA-N -1 3 222.244 2.277 20 0 BEADHM O=C1Cc2cc(-c3ccc(F)c([O-])c3)cnc2N1 ZINC001243048196 984393869 /nfs/dbraw/zinc/39/38/69/984393869.db2.gz KJMROCJQEAAVNO-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM CN(C)c1ncc(-c2ccc(F)c([O-])c2)cn1 ZINC001243048640 984396166 /nfs/dbraw/zinc/39/61/66/984396166.db2.gz IBTQQCCZZLXOPC-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM Nc1cn2ccc(-c3ccc(F)c([O-])c3)cc2n1 ZINC001243049370 984405254 /nfs/dbraw/zinc/40/52/54/984405254.db2.gz MCNLQZBGKSCGRK-UHFFFAOYSA-N -1 3 243.241 2.428 20 0 BEADHM [O-]c1cc(-c2ccc3ncnn3c2F)ccc1F ZINC001243051993 984406760 /nfs/dbraw/zinc/40/67/60/984406760.db2.gz VENACOHUQNLZMA-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM Cc1ncncc1-c1ccc(F)c([O-])c1 ZINC001243050536 984415776 /nfs/dbraw/zinc/41/57/76/984415776.db2.gz YQBKYWMYRYYPDC-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM O=C1Cc2ccnc(-c3ccc(F)c([O-])c3)c2N1 ZINC001243054833 984418265 /nfs/dbraw/zinc/41/82/65/984418265.db2.gz VGFUVLAURPMAKC-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM Cn1cnc2ccnc(-c3ccc(F)c([O-])c3)c21 ZINC001243054366 984419985 /nfs/dbraw/zinc/41/99/85/984419985.db2.gz OPFLURXARKYHRM-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM NC(=O)c1ccc(F)c(-c2ccc(F)c([O-])c2)c1 ZINC001243061077 984432468 /nfs/dbraw/zinc/43/24/68/984432468.db2.gz CNKINEYERHCHIB-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM CSc1ccncc1[N-]C(=O)c1conc1C ZINC001445253015 984590727 /nfs/dbraw/zinc/59/07/27/984590727.db2.gz GNJRMQJLMGJPCY-UHFFFAOYSA-N -1 3 249.295 2.352 20 0 BEADHM C/C(=C\C(=O)[O-])CN1CCC=C(c2ccco2)C1 ZINC001588949892 984677221 /nfs/dbraw/zinc/67/72/21/984677221.db2.gz XBTGZYIERNHEMC-DHZHZOJOSA-N -1 3 247.294 2.400 20 0 BEADHM C/C(=C/CN1CCc2cc(C)ccc2C1)C(=O)[O-] ZINC001588961270 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1170206709 /nfs/dbraw/zinc/20/67/09/1170206709.db2.gz BIZWFUKOMFXNDW-UHFFFAOYSA-N -1 3 248.326 2.335 20 0 BEADHM CC(C)=CCNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001609085856 1170228717 /nfs/dbraw/zinc/22/87/17/1170228717.db2.gz UAWFGIICRPBYJN-UHFFFAOYSA-N -1 3 247.277 2.384 20 0 BEADHM CC(C)=CCNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001609085856 1170228722 /nfs/dbraw/zinc/22/87/22/1170228722.db2.gz UAWFGIICRPBYJN-UHFFFAOYSA-N -1 3 247.277 2.384 20 0 BEADHM CC(C)=CCCNc1cnccc1-c1nnn[n-]1 ZINC001609085619 1170227529 /nfs/dbraw/zinc/22/75/29/1170227529.db2.gz IKFVVVVLQFPMBJ-UHFFFAOYSA-N -1 3 244.302 2.030 20 0 BEADHM CC(C)=CCCNc1cnccc1-c1nn[n-]n1 ZINC001609085619 1170227533 /nfs/dbraw/zinc/22/75/33/1170227533.db2.gz IKFVVVVLQFPMBJ-UHFFFAOYSA-N -1 3 244.302 2.030 20 0 BEADHM CC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001609186563 1170238421 /nfs/dbraw/zinc/23/84/21/1170238421.db2.gz CSZJQZSZGWBMCP-SSDOTTSWSA-N -1 3 235.266 2.216 20 0 BEADHM CC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001609186563 1170238425 /nfs/dbraw/zinc/23/84/25/1170238425.db2.gz CSZJQZSZGWBMCP-SSDOTTSWSA-N -1 3 235.266 2.216 20 0 BEADHM Cc1cc(-c2ccc(-c3nnn[n-]3)s2)ccn1 ZINC001609386322 1170256142 /nfs/dbraw/zinc/25/61/42/1170256142.db2.gz HPJSCAVLPMRZJM-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM c1ccc(-c2nnn[n-]2)c(OCCC2CC2)c1 ZINC001609616228 1170266539 /nfs/dbraw/zinc/26/65/39/1170266539.db2.gz YLMDQQUZQPXQPH-UHFFFAOYSA-N -1 3 230.271 2.046 20 0 BEADHM c1ccc(-c2nn[n-]n2)c(OCCC2CC2)c1 ZINC001609616228 1170266544 /nfs/dbraw/zinc/26/65/44/1170266544.db2.gz YLMDQQUZQPXQPH-UHFFFAOYSA-N -1 3 230.271 2.046 20 0 BEADHM C[C@@H](NC1(C)CC1)c1cc(C(=O)[O-])co1 ZINC001609772969 1170286538 /nfs/dbraw/zinc/28/65/38/1170286538.db2.gz DKTAALCXQWSKIN-SSDOTTSWSA-N -1 3 209.245 2.181 20 0 BEADHM C[C@@H]1c2cccn2CCN1CC1(CC(=O)[O-])CC1 ZINC001609885398 1170310299 /nfs/dbraw/zinc/31/02/99/1170310299.db2.gz NRNGBDCKHUBZBN-LLVKDONJSA-N -1 3 248.326 2.120 20 0 BEADHM Cc1ccccc1[C@@H](N[C@@H](C)CF)C(=O)[O-] ZINC001610528804 1170384338 /nfs/dbraw/zinc/38/43/38/1170384338.db2.gz CUAKFVIXSTUYJU-GXSJLCMTSA-N -1 3 225.263 2.068 20 0 BEADHM CCc1[nH]cnc1C(=O)Nc1cc(F)ccc1[O-] ZINC001610905261 1170422864 /nfs/dbraw/zinc/42/28/64/1170422864.db2.gz CSXBYRDEUATISW-UHFFFAOYSA-N -1 3 249.245 2.069 20 0 BEADHM Cc1cc(C(=O)[N-]c2nocc2C2CC2)no1 ZINC001610990525 1170426112 /nfs/dbraw/zinc/42/61/12/1170426112.db2.gz TUZPTLVZBMWZML-UHFFFAOYSA-N -1 3 233.227 2.101 20 0 BEADHM O=C(NC1CCCCCCC1)c1cnncc1[O-] ZINC001618260717 1170625631 /nfs/dbraw/zinc/62/56/31/1170625631.db2.gz HIJRFELNYJEIBW-UHFFFAOYSA-N -1 3 249.314 2.025 20 0 BEADHM c1ccc(-c2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000039020244 1171104492 /nfs/dbraw/zinc/10/44/92/1171104492.db2.gz WDUPCPSBESXQDV-UHFFFAOYSA-N -1 3 236.278 2.458 20 0 BEADHM c1ccc(-c2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000039020244 1171104503 /nfs/dbraw/zinc/10/45/03/1171104503.db2.gz WDUPCPSBESXQDV-UHFFFAOYSA-N -1 3 236.278 2.458 20 0 BEADHM Cc1nocc1C(=O)Nc1cccc([O-])c1F ZINC001630731387 1171417010 /nfs/dbraw/zinc/41/70/10/1171417010.db2.gz MIWCWEJAFUWRAV-UHFFFAOYSA-N -1 3 236.202 2.080 20 0 BEADHM CCc1cccc(C(=O)N2CC(C)C2)c1[O-] ZINC000548908707 398139058 /nfs/dbraw/zinc/13/90/58/398139058.db2.gz PBWBUHKYPNLYNP-UHFFFAOYSA-N -1 3 219.284 2.047 20 0 BEADHM CCc1cccc(NC(=O)c2cnn[n-]2)c1CC ZINC000489482965 538916745 /nfs/dbraw/zinc/91/67/45/538916745.db2.gz DKLPTTBDWKQHHH-UHFFFAOYSA-N -1 3 244.298 2.182 20 0 BEADHM CCc1cccc(NC(=O)c2c[n-]nn2)c1CC ZINC000489482965 538916747 /nfs/dbraw/zinc/91/67/47/538916747.db2.gz DKLPTTBDWKQHHH-UHFFFAOYSA-N -1 3 244.298 2.182 20 0 BEADHM CCc1cccc(NC(=O)c2cn[n-]n2)c1CC ZINC000489482965 538916749 /nfs/dbraw/zinc/91/67/49/538916749.db2.gz DKLPTTBDWKQHHH-UHFFFAOYSA-N -1 3 244.298 2.182 20 0 BEADHM CC1(C)CCCN1Cc1ccc(C(=O)[O-])o1 ZINC000063067563 349506067 /nfs/dbraw/zinc/50/60/67/349506067.db2.gz MOULKANLIAPBIP-UHFFFAOYSA-N -1 3 223.272 2.352 20 0 BEADHM O=c1[n-]c(C2CCCC2)nc2cccnc21 ZINC000491589193 538921193 /nfs/dbraw/zinc/92/11/93/538921193.db2.gz OQNILGOUARUGBP-UHFFFAOYSA-N -1 3 215.256 2.388 20 0 BEADHM O=c1[n-]c(-c2ccsc2)nc2cccnc21 ZINC000491658905 538921608 /nfs/dbraw/zinc/92/16/08/538921608.db2.gz IGDUUSJJZVUZNC-UHFFFAOYSA-N -1 3 229.264 2.459 20 0 BEADHM CCc1ncsc1C(=O)[N-]c1nocc1C ZINC000162925571 538925531 /nfs/dbraw/zinc/92/55/31/538925531.db2.gz NOZHNIDUIOQRKW-UHFFFAOYSA-N -1 3 237.284 2.254 20 0 BEADHM C[C@H](NC(=O)c1cccc([O-])c1)C1CCC1 ZINC000163688486 538929934 /nfs/dbraw/zinc/92/99/34/538929934.db2.gz GPDXYBKTJVIFNU-VIFPVBQESA-N -1 3 219.284 2.311 20 0 BEADHM Cc1n[nH]c(C)c1C=Cc1nc(C)cc(=O)[n-]1 ZINC000282857471 178201790 /nfs/dbraw/zinc/20/17/90/178201790.db2.gz BELDCTXQSFAVGI-SNAWJCMRSA-N -1 3 230.271 2.001 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2CCCC3(CC3)C2)n1 ZINC000192789482 178202432 /nfs/dbraw/zinc/20/24/32/178202432.db2.gz VNFBCNQEUCPDFS-NSHDSACASA-N -1 3 247.342 2.428 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](C3CC3)C2)n1 ZINC000370501485 178203713 /nfs/dbraw/zinc/20/37/13/178203713.db2.gz WNPPQTRMBFQHFZ-CMPLNLGQSA-N -1 3 247.342 2.284 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC=C(F)C2)n1 ZINC000279032968 178204252 /nfs/dbraw/zinc/20/42/52/178204252.db2.gz DQGIGGGUJLVGRJ-VIFPVBQESA-N -1 3 237.278 2.111 20 0 BEADHM O=S(=O)([N-][C@H]1CC=CCC1)c1cccs1 ZINC000076306381 398235092 /nfs/dbraw/zinc/23/50/92/398235092.db2.gz FFFHCYKGZHTDOM-VIFPVBQESA-N -1 3 243.353 2.135 20 0 BEADHM CCC(CC)CNC(=O)c1c([O-])cccc1O ZINC000092121176 168358279 /nfs/dbraw/zinc/35/82/79/168358279.db2.gz FMRJAJJXZHGQGP-UHFFFAOYSA-N -1 3 237.299 2.264 20 0 BEADHM CCC[C@@H]1C[C@H]1c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351362173 398240776 /nfs/dbraw/zinc/24/07/76/398240776.db2.gz AJOKXVSSOJEMDY-HTQZYQBOSA-N -1 3 246.270 2.136 20 0 BEADHM CCCc1cc(C(=O)Nc2ccccc2[O-])n[nH]1 ZINC000174944550 538948929 /nfs/dbraw/zinc/94/89/29/538948929.db2.gz WWGCWFNTCHYNAW-UHFFFAOYSA-N -1 3 245.282 2.320 20 0 BEADHM Cc1ccc(C(=O)N(C)C(C)C)c([O-])c1C ZINC000271240413 178374489 /nfs/dbraw/zinc/37/44/89/178374489.db2.gz YHOSDXDIAHWIFD-UHFFFAOYSA-N -1 3 221.300 2.489 20 0 BEADHM Cc1ccc(C(=O)N(C)CC(F)F)c([O-])c1 ZINC000103400276 178376314 /nfs/dbraw/zinc/37/63/14/178376314.db2.gz WYMKEKJXNRSIBM-UHFFFAOYSA-N -1 3 229.226 2.038 20 0 BEADHM CN(CCCCC(=O)[O-])Cc1ccsc1 ZINC000035719451 538957974 /nfs/dbraw/zinc/95/79/74/538957974.db2.gz KIGBERVQIVLOLT-UHFFFAOYSA-N -1 3 227.329 2.435 20 0 BEADHM CC[C@@H](NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000309594112 342729247 /nfs/dbraw/zinc/72/92/47/342729247.db2.gz HWKCKEOEARXGDR-SNVBAGLBSA-N -1 3 245.681 2.432 20 0 BEADHM CC(C)c1c(-c2ccccc2)[n-]n(C)c1=O ZINC000634583135 342800280 /nfs/dbraw/zinc/80/02/80/342800280.db2.gz MCAODIMZCJERCC-NSHDSACASA-N -1 3 216.284 2.135 20 0 BEADHM O=C(N[C@H]1CCC(F)(F)C1)c1cccc([O-])c1 ZINC000379978818 538983436 /nfs/dbraw/zinc/98/34/36/538983436.db2.gz IOSYZTOJHAVIGM-VIFPVBQESA-N -1 3 241.237 2.310 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C)C1 ZINC000625041068 342845325 /nfs/dbraw/zinc/84/53/25/342845325.db2.gz RBITYBBGXXOZAD-SECBINFHSA-N -1 3 219.284 2.183 20 0 BEADHM C[C@H]1CN(Cc2cc([O-])ccc2Cl)CCO1 ZINC000625041554 342845349 /nfs/dbraw/zinc/84/53/49/342845349.db2.gz BOSJKTFDGRMNNX-VIFPVBQESA-N -1 3 241.718 2.266 20 0 BEADHM CCCN(CCO)Cc1cc([O-])ccc1Cl ZINC000625078366 342849599 /nfs/dbraw/zinc/84/95/99/342849599.db2.gz NMURBDSMALXFFW-UHFFFAOYSA-N -1 3 243.734 2.250 20 0 BEADHM [O-]c1ccc(Cl)c(CN(CCO)C2CC2)c1 ZINC000625080741 342850060 /nfs/dbraw/zinc/85/00/60/342850060.db2.gz RMRDFKUOXDARBU-UHFFFAOYSA-N -1 3 241.718 2.002 20 0 BEADHM C[C@@H](C1CCC1)N(C)C(=O)c1csc(=O)[n-]1 ZINC000350763146 398302188 /nfs/dbraw/zinc/30/21/88/398302188.db2.gz LMWXUHZTZIFJGF-ZETCQYMHSA-N -1 3 240.328 2.109 20 0 BEADHM [O-]c1ccc(Cl)c(CN2CCCOCC2)c1 ZINC000625116169 342873690 /nfs/dbraw/zinc/87/36/90/342873690.db2.gz FCDZNQUMHYANKZ-UHFFFAOYSA-N -1 3 241.718 2.268 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC[C@H](C)C1CC1 ZINC000624595163 398319185 /nfs/dbraw/zinc/31/91/85/398319185.db2.gz UQQJBWKIFFDLCS-JTQLQIEISA-N -1 3 233.311 2.477 20 0 BEADHM C[C@@H]1CCC[C@@H]1Nc1ccncc1C(=O)[O-] ZINC000088109895 259331400 /nfs/dbraw/zinc/33/14/00/259331400.db2.gz BCTGWPLMBBLRGY-SCZZXKLOSA-N -1 3 220.272 2.380 20 0 BEADHM CCc1cc(=O)[n-]c(CSCC2CC2)n1 ZINC000125775806 398339340 /nfs/dbraw/zinc/33/93/40/398339340.db2.gz BAAKFGXIJQTYGT-UHFFFAOYSA-N -1 3 224.329 2.388 20 0 BEADHM O=C(C[C@H]1CCCO1)Nc1cc(F)ccc1[O-] ZINC000174888494 346888006 /nfs/dbraw/zinc/88/80/06/346888006.db2.gz LSUSXAPHBZZLMQ-SECBINFHSA-N -1 3 239.246 2.039 20 0 BEADHM CCCC(C)(C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000650627036 398334397 /nfs/dbraw/zinc/33/43/97/398334397.db2.gz UTBRJJYUKLBMIG-UHFFFAOYSA-N -1 3 248.286 2.310 20 0 BEADHM C/C(=C/c1ccco1)C(=O)[N-]OC/C=C\Cl ZINC001638369046 1172016086 /nfs/dbraw/zinc/01/60/86/1172016086.db2.gz GLOXPARPJRLQTA-MLBMHQFOSA-N -1 3 241.674 2.483 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CCCCC2)c1 ZINC000019837680 342959203 /nfs/dbraw/zinc/95/92/03/342959203.db2.gz QAJQQUXJTUNPRR-UHFFFAOYSA-N -1 3 219.284 2.327 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@H](C)[C@H](C)CC)c1C ZINC000356543249 187213767 /nfs/dbraw/zinc/21/37/67/187213767.db2.gz CDNYANZFAXLGSW-RKDXNWHRSA-N -1 3 237.347 2.323 20 0 BEADHM CCc1c(-c2ccccc2)[n-]n(C2CC2)c1=O ZINC000634618287 343016321 /nfs/dbraw/zinc/01/63/21/343016321.db2.gz MBFMLKOWGAOSEO-GFCCVEGCSA-N -1 3 228.295 2.422 20 0 BEADHM Cc1[n-]n([C@@H](C)C(F)(F)F)c(=O)c1C1CC1 ZINC000634631382 343041891 /nfs/dbraw/zinc/04/18/91/343041891.db2.gz SJWXJQLMURHRAZ-XPUUQOCRSA-N -1 3 234.221 2.182 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CC(C(C)C)C1 ZINC000626254937 349794301 /nfs/dbraw/zinc/79/43/01/349794301.db2.gz FPFOABQCRIEQOB-UHFFFAOYSA-N -1 3 233.311 2.429 20 0 BEADHM CC1(C)CCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094805582 343153327 /nfs/dbraw/zinc/15/33/27/343153327.db2.gz IQBAIQQTHVIMNG-UHFFFAOYSA-N -1 3 234.299 2.012 20 0 BEADHM CN(Cc1ccc(C(=O)[O-])cn1)CC1CCCC1 ZINC000094762807 343157227 /nfs/dbraw/zinc/15/72/27/343157227.db2.gz FAGVUWGLNAWZRR-UHFFFAOYSA-N -1 3 248.326 2.402 20 0 BEADHM CC[C@@H]1CCN(c2ccncc2C(=O)[O-])C1 ZINC000166277189 343212800 /nfs/dbraw/zinc/21/28/00/343212800.db2.gz RRVXVMHCYISGEU-SECBINFHSA-N -1 3 220.272 2.016 20 0 BEADHM C[C@H]1C[C@@H](O)CN1Cc1cc([O-])ccc1Cl ZINC000625274044 343213032 /nfs/dbraw/zinc/21/30/32/343213032.db2.gz SLICZUTZFHRXHP-GZMMTYOYSA-N -1 3 241.718 2.001 20 0 BEADHM C[C@H](CN(C)Cc1ccc(F)cc1F)C(=O)[O-] ZINC000050885402 343221636 /nfs/dbraw/zinc/22/16/36/343221636.db2.gz RPVBPGIRHGDZEE-MRVPVSSYSA-N -1 3 243.253 2.117 20 0 BEADHM C[C@@H]1C[C@H](NCc2cccc(C(=O)[O-])c2)[C@H](C)O1 ZINC000395018344 362154364 /nfs/dbraw/zinc/15/43/64/362154364.db2.gz XNFGTCBPQZTFBK-NRUUGDAUSA-N -1 3 249.310 2.040 20 0 BEADHM O=C(NCCCC1CCC1)c1csc(=O)[n-]1 ZINC000618614908 343324227 /nfs/dbraw/zinc/32/42/27/343324227.db2.gz RXSFNTNCYSWOGY-UHFFFAOYSA-N -1 3 240.328 2.159 20 0 BEADHM CCN(C(=O)c1cccc(OC)c1[O-])C1CC1 ZINC000037023093 343331098 /nfs/dbraw/zinc/33/10/98/343331098.db2.gz QAIDLQSLPOAMLB-UHFFFAOYSA-N -1 3 235.283 2.025 20 0 BEADHM [O-]c1cccnc1CNCc1ccccc1F ZINC000347959557 136293145 /nfs/dbraw/zinc/29/31/45/136293145.db2.gz LRLKNAHDIFCPSF-UHFFFAOYSA-N -1 3 232.258 2.216 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)C2=CC[C@H](C)CC2)c1C ZINC000335634685 136300927 /nfs/dbraw/zinc/30/09/27/136300927.db2.gz HDVLHAMKQNVESI-VIFPVBQESA-N -1 3 247.342 2.387 20 0 BEADHM C[C@]1(c2nc(-c3ccc([O-])cc3)no2)C[C@H]1F ZINC000335653163 136305848 /nfs/dbraw/zinc/30/58/48/136305848.db2.gz USRGVHRMJYTROW-SKDRFNHKSA-N -1 3 234.230 2.442 20 0 BEADHM C[C@@]1(C(=O)Nc2ccccc2[O-])CCCOC1 ZINC000335657771 136306931 /nfs/dbraw/zinc/30/69/31/136306931.db2.gz DELVOYWSUZCLEA-CYBMUJFWSA-N -1 3 235.283 2.147 20 0 BEADHM CC(C)CN(C(=O)c1csc(=O)[n-]1)C1CC1 ZINC000348937440 136309464 /nfs/dbraw/zinc/30/94/64/136309464.db2.gz ABFMZEREZVXFGN-UHFFFAOYSA-N -1 3 240.328 2.109 20 0 BEADHM CCOC(C)(C)C(=O)Nc1cccc([O-])c1F ZINC000632183925 343407677 /nfs/dbraw/zinc/40/76/77/343407677.db2.gz JDODGHKTCRAIQI-UHFFFAOYSA-N -1 3 241.262 2.285 20 0 BEADHM COC[C@@H](C)NCc1cc([O-])ccc1Cl ZINC000625401451 343413466 /nfs/dbraw/zinc/41/34/66/343413466.db2.gz SRSXDDUNTJVFNZ-MRVPVSSYSA-N -1 3 229.707 2.170 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC(C)(C)CF)c1 ZINC000335681218 136328848 /nfs/dbraw/zinc/32/88/48/136328848.db2.gz NXEPORCBWGRTJA-UHFFFAOYSA-N -1 3 225.263 2.179 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2C[C@]23CCOC3)c([O-])c1 ZINC000335705238 136335716 /nfs/dbraw/zinc/33/57/16/136335716.db2.gz MLBFJYPQUPIVBO-HZMBPMFUSA-N -1 3 247.294 2.066 20 0 BEADHM Cc1cccc(C(=O)Nc2cc(F)ccc2[O-])n1 ZINC000335842641 136354515 /nfs/dbraw/zinc/35/45/15/136354515.db2.gz NZDHQIKWXZPOPX-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Cc1ccc([O-])c(C[N@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000335850629 136355392 /nfs/dbraw/zinc/35/53/92/136355392.db2.gz ZMTLBMGDUNSHCK-AOOOYVTPSA-N -1 3 206.289 2.078 20 0 BEADHM Cc1ccc([O-])c(CN2[C@H](C)C[C@@H]2C)n1 ZINC000335850629 136355394 /nfs/dbraw/zinc/35/53/94/136355394.db2.gz ZMTLBMGDUNSHCK-AOOOYVTPSA-N -1 3 206.289 2.078 20 0 BEADHM CCn1ccnc1C(=O)Nc1cc(F)ccc1[O-] ZINC000335898333 136359782 /nfs/dbraw/zinc/35/97/82/136359782.db2.gz PDJCSCVJGXVRJA-UHFFFAOYSA-N -1 3 249.245 2.000 20 0 BEADHM Cc1ccc([O-])c(C(=O)N(C)c2nccs2)c1 ZINC000123830752 343497831 /nfs/dbraw/zinc/49/78/31/343497831.db2.gz RITIEOXEVYQNQT-UHFFFAOYSA-N -1 3 248.307 2.434 20 0 BEADHM Cc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000042985486 343461708 /nfs/dbraw/zinc/46/17/08/343461708.db2.gz RQMNHRMMCPHBRZ-UHFFFAOYSA-N -1 3 245.319 2.211 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H](C)C2)c1 ZINC000051770521 187271143 /nfs/dbraw/zinc/27/11/43/187271143.db2.gz GHSDRVKUYCCHCS-SNVBAGLBSA-N -1 3 249.310 2.273 20 0 BEADHM O=C([O-])[C@H]1CCCN(Cc2ccsc2)C1 ZINC000003750182 343771524 /nfs/dbraw/zinc/77/15/24/343771524.db2.gz KYXLVBPAMNHJBI-JTQLQIEISA-N -1 3 225.313 2.045 20 0 BEADHM CC(C)[C@@H](C)CNC(=O)/C=C/c1cncc([O-])c1 ZINC000182039891 346979552 /nfs/dbraw/zinc/97/95/52/346979552.db2.gz MVBWYNNDHLIEOP-ZWNMCFTASA-N -1 3 248.326 2.209 20 0 BEADHM CCC[C@H](C)CCCN(C)Cc1n[n-]c(=O)o1 ZINC000625483420 343881869 /nfs/dbraw/zinc/88/18/69/343881869.db2.gz HBPFPWSJXAOSHS-JTQLQIEISA-N -1 3 241.335 2.423 20 0 BEADHM CC1(C)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000087254872 344231214 /nfs/dbraw/zinc/23/12/14/344231214.db2.gz DNDFBXCNGSTUAH-UHFFFAOYSA-N -1 3 219.284 2.264 20 0 BEADHM [O-]C(=NOC1CCCC1)Nc1ccccn1 ZINC000089265062 344246105 /nfs/dbraw/zinc/24/61/05/344246105.db2.gz KTCYQBXSAMPBQW-UHFFFAOYSA-N -1 3 221.260 2.077 20 0 BEADHM O=C([N-]OC1CCCC1)Nc1ccccn1 ZINC000089265062 344246108 /nfs/dbraw/zinc/24/61/08/344246108.db2.gz KTCYQBXSAMPBQW-UHFFFAOYSA-N -1 3 221.260 2.077 20 0 BEADHM Cc1ccc(CNC[C@@H](C(=O)[O-])C(C)C)o1 ZINC000259019775 537851987 /nfs/dbraw/zinc/85/19/87/537851987.db2.gz PLGNASVZDHGQIP-LLVKDONJSA-N -1 3 225.288 2.034 20 0 BEADHM CC1(C)CC(c2nc(-c3cc(=O)[n-]cn3)no2)C1 ZINC000351368048 344749918 /nfs/dbraw/zinc/74/99/18/344749918.db2.gz JQGIICVQVHTWHM-UHFFFAOYSA-N -1 3 246.270 2.136 20 0 BEADHM CC(C)C[C@@H](C)CSCCc1nnn[n-]1 ZINC000603341307 349919280 /nfs/dbraw/zinc/91/92/80/349919280.db2.gz NZCOCABGITWDAU-SECBINFHSA-N -1 3 228.365 2.158 20 0 BEADHM CC(C)C[C@@H](C)CSCCc1nn[n-]n1 ZINC000603341307 349919282 /nfs/dbraw/zinc/91/92/82/349919282.db2.gz NZCOCABGITWDAU-SECBINFHSA-N -1 3 228.365 2.158 20 0 BEADHM C[C@@H]1CCCC[C@H]1CSCCc1nnn[n-]1 ZINC000603342261 349919983 /nfs/dbraw/zinc/91/99/83/349919983.db2.gz WSRJVGWDANNIAP-ZJUUUORDSA-N -1 3 240.376 2.302 20 0 BEADHM C[C@@H]1CCCC[C@H]1CSCCc1nn[n-]n1 ZINC000603342261 349919986 /nfs/dbraw/zinc/91/99/86/349919986.db2.gz WSRJVGWDANNIAP-ZJUUUORDSA-N -1 3 240.376 2.302 20 0 BEADHM Cc1nccc(NCc2ccc([O-])c(F)c2)n1 ZINC000078295593 344843673 /nfs/dbraw/zinc/84/36/73/344843673.db2.gz FZLJJRYWTGFXIT-UHFFFAOYSA-N -1 3 233.246 2.242 20 0 BEADHM c1ccc2c(c1)CC[C@H]2SCCc1nnn[n-]1 ZINC000603342003 349920174 /nfs/dbraw/zinc/92/01/74/349920174.db2.gz UZQWPRZXKHGRQB-LLVKDONJSA-N -1 3 246.339 2.163 20 0 BEADHM c1ccc2c(c1)CC[C@H]2SCCc1nn[n-]n1 ZINC000603342003 349920175 /nfs/dbraw/zinc/92/01/75/349920175.db2.gz UZQWPRZXKHGRQB-LLVKDONJSA-N -1 3 246.339 2.163 20 0 BEADHM O=C(Cc1ccoc1)Nc1cc(F)ccc1[O-] ZINC000185622429 345226736 /nfs/dbraw/zinc/22/67/36/345226736.db2.gz NMQYKUKYCPHCTG-UHFFFAOYSA-N -1 3 235.214 2.306 20 0 BEADHM O=C(Cc1ccoc1)Nc1ccccc1[O-] ZINC000132569419 345335464 /nfs/dbraw/zinc/33/54/64/345335464.db2.gz NRNOQZQDDRQRNL-UHFFFAOYSA-N -1 3 217.224 2.166 20 0 BEADHM C(Cc1nnn[n-]1)SCCC1CCCCC1 ZINC000603337962 349928240 /nfs/dbraw/zinc/92/82/40/349928240.db2.gz IDTZFQWDWUETBG-UHFFFAOYSA-N -1 3 240.376 2.446 20 0 BEADHM C(Cc1nn[n-]n1)SCCC1CCCCC1 ZINC000603337962 349928244 /nfs/dbraw/zinc/92/82/44/349928244.db2.gz IDTZFQWDWUETBG-UHFFFAOYSA-N -1 3 240.376 2.446 20 0 BEADHM CC(C)(C)CCCSCCc1nnn[n-]1 ZINC000603337897 349927911 /nfs/dbraw/zinc/92/79/11/349927911.db2.gz FONPOZQOIDGCSO-UHFFFAOYSA-N -1 3 228.365 2.302 20 0 BEADHM CC(C)(C)CCCSCCc1nn[n-]n1 ZINC000603337897 349927914 /nfs/dbraw/zinc/92/79/14/349927914.db2.gz FONPOZQOIDGCSO-UHFFFAOYSA-N -1 3 228.365 2.302 20 0 BEADHM C[C@@H]1C[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000098018458 537923974 /nfs/dbraw/zinc/92/39/74/537923974.db2.gz YBNQGHZSPUKBSW-HTRCEHHLSA-N -1 3 209.220 2.126 20 0 BEADHM Cc1cccc(C(=O)NC(C)(C)C(F)F)c1[O-] ZINC000684343643 488296598 /nfs/dbraw/zinc/29/65/98/488296598.db2.gz KXGOWMQLHLBACW-UHFFFAOYSA-N -1 3 243.253 2.474 20 0 BEADHM Cc1cccc(C(=O)N2CCC(F)(F)C2)c1[O-] ZINC000313312451 179006886 /nfs/dbraw/zinc/00/68/86/179006886.db2.gz IBSUURINBXQPMU-UHFFFAOYSA-N -1 3 241.237 2.182 20 0 BEADHM Cc1cccc(C(=O)NC2CCCC2)c1[O-] ZINC000019837249 179014624 /nfs/dbraw/zinc/01/46/24/179014624.db2.gz ANNKPWNUGJBRRY-UHFFFAOYSA-N -1 3 219.284 2.373 20 0 BEADHM CCO[N-]C(=O)C[C@@H](C)Cc1cccc(F)c1 ZINC000081238524 537969607 /nfs/dbraw/zinc/96/96/07/537969607.db2.gz HLLAEJBXOCUJKB-JTQLQIEISA-N -1 3 239.290 2.462 20 0 BEADHM C[C@H](C1CC1)N(C)C(=O)c1cccc([O-])c1 ZINC000036786185 346668709 /nfs/dbraw/zinc/66/87/09/346668709.db2.gz JLQGPVUFDRNHPQ-SECBINFHSA-N -1 3 219.284 2.263 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCO[C@@H](C)C1 ZINC000272471564 179160233 /nfs/dbraw/zinc/16/02/33/179160233.db2.gz LIGZPMSVAPNMRY-QWRGUYRKSA-N -1 3 249.310 2.454 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCCOC1 ZINC000183076477 179160269 /nfs/dbraw/zinc/16/02/69/179160269.db2.gz CPBXGAQPFKNPEJ-SNVBAGLBSA-N -1 3 235.283 2.066 20 0 BEADHM Cc1cccc([O-])c1NC(=O)CCOC(C)C ZINC000179556634 179160600 /nfs/dbraw/zinc/16/06/00/179160600.db2.gz TTZLWWFYPYMMIF-UHFFFAOYSA-N -1 3 237.299 2.454 20 0 BEADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1CCCO1 ZINC000183078311 179160921 /nfs/dbraw/zinc/16/09/21/179160921.db2.gz QHTOAFJGEKTMEB-JTQLQIEISA-N -1 3 235.283 2.208 20 0 BEADHM O=S(=O)(Cc1ccccc1)c1cccc([O-])c1 ZINC000183989267 347144960 /nfs/dbraw/zinc/14/49/60/347144960.db2.gz GNAVJIFADPVKDS-UHFFFAOYSA-N -1 3 248.303 2.366 20 0 BEADHM CC[C@@H]1C[C@H]1CNC(=O)c1cc(OC)ccc1[O-] ZINC000387984612 347144995 /nfs/dbraw/zinc/14/49/95/347144995.db2.gz XITOKBIYZFGEQK-ZJUUUORDSA-N -1 3 249.310 2.177 20 0 BEADHM O=C(Cc1ccoc1)Nc1cccc([O-])c1F ZINC000185783505 347214203 /nfs/dbraw/zinc/21/42/03/347214203.db2.gz LKNNWDJRSCSVPM-UHFFFAOYSA-N -1 3 235.214 2.306 20 0 BEADHM CCO[C@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616942045 347511301 /nfs/dbraw/zinc/51/13/01/347511301.db2.gz OGLWVLWRXIVQKB-SSDOTTSWSA-N -1 3 243.690 2.409 20 0 BEADHM CC[C@@H](OC)C(=O)Nc1ccc([O-])cc1Cl ZINC000616942289 347511339 /nfs/dbraw/zinc/51/13/39/347511339.db2.gz XVXXGRJUZBRXAR-SNVBAGLBSA-N -1 3 243.690 2.409 20 0 BEADHM Cn1cc([N-]c2nc3ccccc3o2)cn1 ZINC000037999171 348027827 /nfs/dbraw/zinc/02/78/27/348027827.db2.gz XELCMUZCFRJRQX-UHFFFAOYSA-N -1 3 214.228 2.305 20 0 BEADHM O=C([O-])c1cnccc1NCCC(F)(F)F ZINC000088109889 362903056 /nfs/dbraw/zinc/90/30/56/362903056.db2.gz AAMIMRIAOXWVMS-UHFFFAOYSA-N -1 3 234.177 2.144 20 0 BEADHM CCc1cc(=O)[n-]c(CN2C[C@H](C)[C@H](C)[C@@H]2C)n1 ZINC000419375987 192128773 /nfs/dbraw/zinc/12/87/73/192128773.db2.gz SJMPVJYCBJYQSG-DCAQKATOSA-N -1 3 249.358 2.221 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCSC1 ZINC000082879335 348917705 /nfs/dbraw/zinc/91/77/05/348917705.db2.gz HHTYAPZAWBXXBG-ZETCQYMHSA-N -1 3 241.287 2.223 20 0 BEADHM CC(=O)CN(CC(C)C)C(=O)c1ccccc1[O-] ZINC000421890009 192395472 /nfs/dbraw/zinc/39/54/72/192395472.db2.gz NZJMBTYOWBNDRT-UHFFFAOYSA-N -1 3 249.310 2.079 20 0 BEADHM Cc1nc(NC([O-])=NOCC(C)C)sc1C ZINC000269692281 180010366 /nfs/dbraw/zinc/01/03/66/180010366.db2.gz VJYKRRKDBBEKFM-UHFFFAOYSA-N -1 3 243.332 2.469 20 0 BEADHM Cc1nc(NC(=O)[N-]OCC(C)C)sc1C ZINC000269692281 180010367 /nfs/dbraw/zinc/01/03/67/180010367.db2.gz VJYKRRKDBBEKFM-UHFFFAOYSA-N -1 3 243.332 2.469 20 0 BEADHM Cc1nc(NC([O-])=NOCC2CC2)sc1C ZINC000292356611 180010483 /nfs/dbraw/zinc/01/04/83/180010483.db2.gz QMZKTBHFWQEIPP-UHFFFAOYSA-N -1 3 241.316 2.223 20 0 BEADHM Cc1nc(NC(=O)[N-]OCC2CC2)sc1C ZINC000292356611 180010485 /nfs/dbraw/zinc/01/04/85/180010485.db2.gz QMZKTBHFWQEIPP-UHFFFAOYSA-N -1 3 241.316 2.223 20 0 BEADHM O=c1[n-]c(CC2CCC2)nc2cccnc21 ZINC000348999331 538050946 /nfs/dbraw/zinc/05/09/46/538050946.db2.gz BTLMUYODVMQECM-UHFFFAOYSA-N -1 3 215.256 2.073 20 0 BEADHM Cc1sccc1CNCc1cnc(C)[n-]c1=O ZINC000339343356 180153336 /nfs/dbraw/zinc/15/33/36/180153336.db2.gz JEIQVYRHSZZDAA-UHFFFAOYSA-N -1 3 249.339 2.150 20 0 BEADHM C[C@H]1c2ccc(F)cc2CCN1CCC(=O)[O-] ZINC000606540384 350357358 /nfs/dbraw/zinc/35/73/58/350357358.db2.gz LFXBTDMEWCKURJ-VIFPVBQESA-N -1 3 237.274 2.220 20 0 BEADHM COc1cc(C(=O)N[C@]23C[C@H]2CCC3)ccc1[O-] ZINC000617211733 350380980 /nfs/dbraw/zinc/38/09/80/350380980.db2.gz OVOOGCQIWPDWAY-QMTHXVAHSA-N -1 3 247.294 2.073 20 0 BEADHM COc1cc(C(=O)N[C@@]23C[C@@H]2CCC3)ccc1[O-] ZINC000617211731 350381133 /nfs/dbraw/zinc/38/11/33/350381133.db2.gz OVOOGCQIWPDWAY-HZMBPMFUSA-N -1 3 247.294 2.073 20 0 BEADHM CSCCNCc1cccc([O-])c1Cl ZINC000328312471 350396969 /nfs/dbraw/zinc/39/69/69/350396969.db2.gz GFGBDYVMQLGOOW-UHFFFAOYSA-N -1 3 231.748 2.498 20 0 BEADHM O=C([C@@H]1CC12CC2)N1CCCc2cccc([O-])c21 ZINC000335196286 538091175 /nfs/dbraw/zinc/09/11/75/538091175.db2.gz YEDCKMQBTLSWJY-NSHDSACASA-N -1 3 243.306 2.472 20 0 BEADHM CCc1cc([N-]C(=O)c2ccc(Cl)o2)no1 ZINC000606886658 350619165 /nfs/dbraw/zinc/61/91/65/350619165.db2.gz NJFMWPRSQSKDIB-UHFFFAOYSA-N -1 3 240.646 2.158 20 0 BEADHM Cc1cccc([O-])c1NC(=O)C12CC(C1)C2 ZINC000626338603 350987637 /nfs/dbraw/zinc/98/76/37/350987637.db2.gz FTLRITXFTAJAEC-UHFFFAOYSA-N -1 3 217.268 2.439 20 0 BEADHM O=S(=O)([N-]CCCC1CC1)c1cccs1 ZINC000128979297 350951253 /nfs/dbraw/zinc/95/12/53/350951253.db2.gz YPWQKBJQMLQDCW-UHFFFAOYSA-N -1 3 245.369 2.217 20 0 BEADHM CCCC[C@@H](C)C(=O)Nc1nnc(SC)[n-]1 ZINC000282362993 351931067 /nfs/dbraw/zinc/93/10/67/351931067.db2.gz WFTDCDXXXMGFPL-SSDOTTSWSA-N -1 3 242.348 2.291 20 0 BEADHM CCCC[C@@H](C)C(=O)Nc1nc(SC)n[n-]1 ZINC000282362993 351931071 /nfs/dbraw/zinc/93/10/71/351931071.db2.gz WFTDCDXXXMGFPL-SSDOTTSWSA-N -1 3 242.348 2.291 20 0 BEADHM CCCC[C@@H](C)C(=O)Nc1n[n-]c(SC)n1 ZINC000282362993 351931076 /nfs/dbraw/zinc/93/10/76/351931076.db2.gz WFTDCDXXXMGFPL-SSDOTTSWSA-N -1 3 242.348 2.291 20 0 BEADHM CCCc1ncc(C(=O)[N-]c2cnoc2)s1 ZINC000607816038 351997232 /nfs/dbraw/zinc/99/72/32/351997232.db2.gz QDLKFJILNRFYFK-UHFFFAOYSA-N -1 3 237.284 2.336 20 0 BEADHM O=C(CCCF)Nc1ccc([O-])cc1F ZINC000613332886 363112828 /nfs/dbraw/zinc/11/28/28/363112828.db2.gz YTRIRGFKNCVRQL-UHFFFAOYSA-N -1 3 215.199 2.220 20 0 BEADHM Cc1ccc(NC(=O)C[C@@](C)(O)C2CC2)c([O-])c1 ZINC000270418559 187683199 /nfs/dbraw/zinc/68/31/99/187683199.db2.gz KCTHWVIOKNDWMU-CQSZACIVSA-N -1 3 249.310 2.190 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C2CC=CC2)n1 ZINC000273339820 187684883 /nfs/dbraw/zinc/68/48/83/187684883.db2.gz AHARBWQQMPEMRC-UHFFFAOYSA-N -1 3 218.256 2.000 20 0 BEADHM CS(=O)(=O)[N-]c1cccc2sccc21 ZINC000218501321 352602285 /nfs/dbraw/zinc/60/22/85/352602285.db2.gz LDAQRFZCVIEGKZ-UHFFFAOYSA-N -1 3 227.310 2.273 20 0 BEADHM C[C@H](CN(C)c1ccnc2ccccc21)C(=O)[O-] ZINC000042703916 352624093 /nfs/dbraw/zinc/62/40/93/352624093.db2.gz QIBHLRQSAHGXRE-SNVBAGLBSA-N -1 3 244.294 2.392 20 0 BEADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1CCOC1 ZINC000334270334 352907080 /nfs/dbraw/zinc/90/70/80/352907080.db2.gz SCDUQTGOLHSQQZ-JTQLQIEISA-N -1 3 235.283 2.066 20 0 BEADHM CCc1ccc([O-])c(C(=O)NC(C)C)c1 ZINC000342879479 352885347 /nfs/dbraw/zinc/88/53/47/352885347.db2.gz DEDZEBVTTUCUEK-UHFFFAOYSA-N -1 3 207.273 2.093 20 0 BEADHM O=C(N[C@H]1CC[C@@H](F)C1)c1ccccc1[O-] ZINC000334263210 352896367 /nfs/dbraw/zinc/89/63/67/352896367.db2.gz JJHBMBBMNFOLCR-BDAKNGLRSA-N -1 3 223.247 2.013 20 0 BEADHM O=C(N[C@H]1CC[C@H](F)C1)c1ccccc1[O-] ZINC000334263217 352896639 /nfs/dbraw/zinc/89/66/39/352896639.db2.gz JJHBMBBMNFOLCR-IUCAKERBSA-N -1 3 223.247 2.013 20 0 BEADHM CC(C)N(C(=O)c1cccc([O-])c1)[C@@H]1CCOC1 ZINC000292797298 188037277 /nfs/dbraw/zinc/03/72/77/188037277.db2.gz KJRXUXHJSZBQNG-GFCCVEGCSA-N -1 3 249.310 2.032 20 0 BEADHM CC1(C)CC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000613425525 363208529 /nfs/dbraw/zinc/20/85/29/363208529.db2.gz ARTLXQOSQCQJEU-QMMMGPOBSA-N -1 3 220.272 2.162 20 0 BEADHM CC(C)=CCNCc1nc(C)ccc1[O-] ZINC000232619596 188253829 /nfs/dbraw/zinc/25/38/29/188253829.db2.gz MFPYCFUCCLBMHG-UHFFFAOYSA-N -1 3 206.289 2.151 20 0 BEADHM Cc1ccc(NC(=O)[C@H](C)n2cccn2)c([O-])c1 ZINC000040432555 188255882 /nfs/dbraw/zinc/25/58/82/188255882.db2.gz HKLBYMMKFYQZHH-JTQLQIEISA-N -1 3 245.282 2.097 20 0 BEADHM CC(C)=CCCNC(=O)c1ccc(O)cc1[O-] ZINC000276747059 188267030 /nfs/dbraw/zinc/26/70/30/188267030.db2.gz ZEDLRNLDOGCOLJ-UHFFFAOYSA-N -1 3 235.283 2.184 20 0 BEADHM CC(=O)[N-]OCCCOc1ccc(C)c(C)c1 ZINC000034581857 188284635 /nfs/dbraw/zinc/28/46/35/188284635.db2.gz CCZMHZFYAZFDLW-UHFFFAOYSA-N -1 3 237.299 2.140 20 0 BEADHM COc1ccc(NC(=O)c2ccccn2)c([O-])c1 ZINC000135422857 538115296 /nfs/dbraw/zinc/11/52/96/538115296.db2.gz WIJDCNXODBCKLL-UHFFFAOYSA-N -1 3 244.250 2.048 20 0 BEADHM CC(C)(C)c1ccc(NC(=O)c2cnn[n-]2)cc1 ZINC000108285475 188325468 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2.057 20 0 BEADHM CC(C)[C@@H]1C[C@H]1CNC(=O)c1c([O-])cccc1O ZINC000412382012 191281005 /nfs/dbraw/zinc/28/10/05/191281005.db2.gz BLLAYIQUJGJDKH-UWVGGRQHSA-N -1 3 249.310 2.120 20 0 BEADHM CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000192808651 353569939 /nfs/dbraw/zinc/56/99/39/353569939.db2.gz HNJFWISRSLCBLS-CABZTGNLSA-N -1 3 235.283 2.064 20 0 BEADHM COc1cccc2c1n[n-]c2C(=O)OC(C)C ZINC000343657570 353955825 /nfs/dbraw/zinc/95/58/25/353955825.db2.gz QSABLHRYMZJCET-UHFFFAOYSA-N -1 3 234.255 2.137 20 0 BEADHM COc1cccc2c(C(=O)OC(C)C)n[n-]c21 ZINC000343657570 353955827 /nfs/dbraw/zinc/95/58/27/353955827.db2.gz QSABLHRYMZJCET-UHFFFAOYSA-N -1 3 234.255 2.137 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CC1(F)F ZINC000334577697 354121015 /nfs/dbraw/zinc/12/10/15/354121015.db2.gz UQTJPAOXCFSUPG-LURJTMIESA-N -1 3 231.173 2.125 20 0 BEADHM CC(C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000344325167 354248455 /nfs/dbraw/zinc/24/84/55/354248455.db2.gz OLRVBMVCHOIDLS-UHFFFAOYSA-N -1 3 239.290 2.379 20 0 BEADHM Cc1ccc(C(=O)NCc2ncccc2[O-])s1 ZINC000334618103 354306280 /nfs/dbraw/zinc/30/62/80/354306280.db2.gz QDVNEOGGVANGKN-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@H]2C2CC2)c([O-])c1 ZINC000334670955 354411891 /nfs/dbraw/zinc/41/18/91/354411891.db2.gz KQJURDRKITUMJB-LBPRGKRZSA-N -1 3 231.295 2.325 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)c2ccsc2C)c1C ZINC000334651959 354445004 /nfs/dbraw/zinc/44/50/04/354445004.db2.gz HVJOSYXTJVRGND-UHFFFAOYSA-N -1 3 249.339 2.325 20 0 BEADHM CC(=O)c1[n-]c(=NC2CC(F)(F)C2)sc1C ZINC000334662163 354461692 /nfs/dbraw/zinc/46/16/92/354461692.db2.gz XKGMTISCEZDLKA-UHFFFAOYSA-N -1 3 246.282 2.286 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H]2C2CC2)c1 ZINC000334665404 354466784 /nfs/dbraw/zinc/46/67/84/354466784.db2.gz FXCKDSFOJZHRAJ-GFCCVEGCSA-N -1 3 231.295 2.325 20 0 BEADHM CC(=O)c1ccc(C(=O)N[C@H]2CC[C@H]2C)cc1[O-] ZINC000334801290 354556182 /nfs/dbraw/zinc/55/61/82/354556182.db2.gz OCNVODDSUSZMOQ-PELKAZGASA-N -1 3 247.294 2.123 20 0 BEADHM CCC1CN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000335113485 354701749 /nfs/dbraw/zinc/70/17/49/354701749.db2.gz CISSVSZCNFXTMR-UHFFFAOYSA-N -1 3 219.284 2.183 20 0 BEADHM Cc1ccc(C(=O)Nc2nc(C)ccc2[O-])cn1 ZINC000345936695 354813349 /nfs/dbraw/zinc/81/33/49/354813349.db2.gz JOFXZISPMQZDNC-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM Cc1ncsc1C(=O)Nc1nc(C)ccc1[O-] ZINC000345984772 354833719 /nfs/dbraw/zinc/83/37/19/354833719.db2.gz NHZKAZDECXEVKQ-UHFFFAOYSA-N -1 3 249.295 2.113 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@H]2CC[C@@H](C)C2)n1 ZINC000345922786 354827230 /nfs/dbraw/zinc/82/72/30/354827230.db2.gz GJBYNJXYNSVAKC-SCZZXKLOSA-N -1 3 234.299 2.470 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CC[C@@H](C)C2)n1 ZINC000345922784 354827390 /nfs/dbraw/zinc/82/73/90/354827390.db2.gz GJBYNJXYNSVAKC-PSASIEDQSA-N -1 3 234.299 2.470 20 0 BEADHM Cc1ccc(NC(=O)[C@@H](C)n2cccn2)c([O-])c1 ZINC000040432554 358491419 /nfs/dbraw/zinc/49/14/19/358491419.db2.gz HKLBYMMKFYQZHH-SNVBAGLBSA-N -1 3 245.282 2.097 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCSC1 ZINC000335969126 134029100 /nfs/dbraw/zinc/02/91/00/134029100.db2.gz UUAKKKBGGKCBAO-SECBINFHSA-N -1 3 237.324 2.392 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C2)o1 ZINC000335223413 355064327 /nfs/dbraw/zinc/06/43/27/355064327.db2.gz AVAUPSPVJRWHTA-PSASIEDQSA-N -1 3 243.328 2.055 20 0 BEADHM CC1(C)CCCN(C(=O)c2csc(=O)[n-]2)C1 ZINC000335784335 355433171 /nfs/dbraw/zinc/43/31/71/355433171.db2.gz YPFFRZKEDYSZRN-UHFFFAOYSA-N -1 3 240.328 2.111 20 0 BEADHM CCc1cc(C(=O)N2CC(C)C2)ccc1[O-] ZINC000335848461 355592485 /nfs/dbraw/zinc/59/24/85/355592485.db2.gz ZCORHVODIFWPSZ-UHFFFAOYSA-N -1 3 219.284 2.047 20 0 BEADHM C[C@H]1[C@@H](C(=O)Nc2ccc([O-])cc2F)C1(F)F ZINC000335856089 355600756 /nfs/dbraw/zinc/60/07/56/355600756.db2.gz BCYZCEXBRAZZDO-CDUCUWFYSA-N -1 3 245.200 2.371 20 0 BEADHM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2F)ccc1[O-] ZINC000335865446 355649413 /nfs/dbraw/zinc/64/94/13/355649413.db2.gz NANRHFYKCCYGLV-WDEREUQCSA-N -1 3 237.274 2.321 20 0 BEADHM C[C@@H]1CCSCCN1Cc1ncccc1[O-] ZINC000583591369 355704077 /nfs/dbraw/zinc/70/40/77/355704077.db2.gz MQEBPCJISGEOFO-SNVBAGLBSA-N -1 3 238.356 2.115 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C[C@H]2C[C@H]2C)n1 ZINC000336016457 134053512 /nfs/dbraw/zinc/05/35/12/134053512.db2.gz ZTYGZZNRSNZZGD-VXNVDRBHSA-N -1 3 220.272 2.080 20 0 BEADHM CCSc1cccc(F)c1[N-]S(C)(=O)=O ZINC000336026627 134057363 /nfs/dbraw/zinc/05/73/63/134057363.db2.gz YUKXLUMFCXSOQH-UHFFFAOYSA-N -1 3 249.332 2.309 20 0 BEADHM C[C@@H]1C[C@@H](C)N1C(=O)c1cccc([O-])c1 ZINC000336065194 134070066 /nfs/dbraw/zinc/07/00/66/134070066.db2.gz XOQYJXNRAWYZDW-RKDXNWHRSA-N -1 3 205.257 2.015 20 0 BEADHM CCc1nc(C(=O)Nc2ccccc2[O-])co1 ZINC000336327665 356338606 /nfs/dbraw/zinc/33/86/06/356338606.db2.gz CAAKWQBVAYCIRK-UHFFFAOYSA-N -1 3 232.239 2.195 20 0 BEADHM O=C([O-])C1(CN2CCc3cccc(F)c3C2)CC1 ZINC000580720048 358502051 /nfs/dbraw/zinc/50/20/51/358502051.db2.gz WIINDJHSNALJSZ-UHFFFAOYSA-N -1 3 249.285 2.049 20 0 BEADHM Cc1cc(C(=O)N2[C@H](C)C[C@@H]2C)ccc1[O-] ZINC000336157710 134106911 /nfs/dbraw/zinc/10/69/11/134106911.db2.gz ZRNCBDFYEBRWDG-AOOOYVTPSA-N -1 3 219.284 2.324 20 0 BEADHM CC(=O)c1[n-]c(=N[C@H]2CC[C@@H](F)C2)sc1C ZINC000336194303 134125039 /nfs/dbraw/zinc/12/50/39/134125039.db2.gz FLCJSONEXOEFDA-BDAKNGLRSA-N -1 3 242.319 2.379 20 0 BEADHM CN(C)c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000350568662 366300008 /nfs/dbraw/zinc/30/00/08/366300008.db2.gz RJDPGODUGJPNKF-VOTSOKGWSA-N -1 3 231.255 2.012 20 0 BEADHM C[C@]1(c2nc(-c3ccc([O-])cc3)no2)CCOC1 ZINC000350580704 366303718 /nfs/dbraw/zinc/30/37/18/366303718.db2.gz ZYQDLZIOWGDJBR-ZDUSSCGKSA-N -1 3 246.266 2.120 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1C=CCCC1 ZINC000336200583 134130494 /nfs/dbraw/zinc/13/04/94/134130494.db2.gz DOWRVNHOLIKSLM-NSHDSACASA-N -1 3 249.285 2.299 20 0 BEADHM CN(C(=O)c1cccc([O-])c1)[C@H]1CC1(C)C ZINC000336208288 134133294 /nfs/dbraw/zinc/13/32/94/134133294.db2.gz WPKULTLWNQYXHN-NSHDSACASA-N -1 3 219.284 2.263 20 0 BEADHM O=c1ccn(-c2ccc(NCC3(F)CC3)cc2)[n-]1 ZINC000623776818 363544351 /nfs/dbraw/zinc/54/43/51/363544351.db2.gz AIBHZVQICKSOJE-UHFFFAOYSA-N -1 3 247.273 2.492 20 0 BEADHM CC[C@@H](NC(=O)c1ccc(OC)cc1[O-])C1CC1 ZINC000323865296 356660857 /nfs/dbraw/zinc/66/08/57/356660857.db2.gz PXYZRXJLSBFNEN-GFCCVEGCSA-N -1 3 249.310 2.319 20 0 BEADHM O=C([N-]c1ccc(F)c(F)c1F)c1ccon1 ZINC000074713942 356664889 /nfs/dbraw/zinc/66/48/89/356664889.db2.gz BZNGUOPRUXPOLV-UHFFFAOYSA-N -1 3 242.156 2.344 20 0 BEADHM Cc1ccc([O-])c(CN[C@H](C)C(C)(F)F)n1 ZINC000389471199 356683661 /nfs/dbraw/zinc/68/36/61/356683661.db2.gz QXFTYNCNOLHFPS-MRVPVSSYSA-N -1 3 230.258 2.229 20 0 BEADHM Cc1ccc([O-])c(CN[C@@H](C)C(C)(F)F)n1 ZINC000389471205 356684404 /nfs/dbraw/zinc/68/44/04/356684404.db2.gz QXFTYNCNOLHFPS-QMMMGPOBSA-N -1 3 230.258 2.229 20 0 BEADHM O=C([O-])[C@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000035297232 356703824 /nfs/dbraw/zinc/70/38/24/356703824.db2.gz JBQMFVMOYTVBOB-PXYYCUNGSA-N -1 3 245.322 2.496 20 0 BEADHM O=C(c1cc([O-])ccc1Cl)N1C[C@@H]2C[C@@H]2C1 ZINC000380366324 356749275 /nfs/dbraw/zinc/74/92/75/356749275.db2.gz LAWZRGJVZXOFBU-OCAPTIKFSA-N -1 3 237.686 2.138 20 0 BEADHM CCC[C@@H](OC)C(=O)Nc1ccc([O-])cc1F ZINC000450514647 202188573 /nfs/dbraw/zinc/18/85/73/202188573.db2.gz DOZXWRFQAQQEGJ-LLVKDONJSA-N -1 3 241.262 2.285 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@H](C)C(F)(F)F)c1 ZINC000389531485 356967689 /nfs/dbraw/zinc/96/76/89/356967689.db2.gz UFEINUNCGOYVOQ-SSDOTTSWSA-N -1 3 247.216 2.381 20 0 BEADHM CCC(CC)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358424079 538756847 /nfs/dbraw/zinc/75/68/47/538756847.db2.gz HONWTBIXILTHDP-UHFFFAOYSA-N -1 3 245.344 2.303 20 0 BEADHM C[C@@H](N(C)Cc1ccc(C(=O)[O-])cn1)C1(C)CC1 ZINC000385264773 357043531 /nfs/dbraw/zinc/04/35/31/357043531.db2.gz YQVLCILMJQCNKS-SNVBAGLBSA-N -1 3 248.326 2.400 20 0 BEADHM Cc1cccc(CN(C[C@@H](C)C(=O)[O-])C2CC2)n1 ZINC000582732253 357375237 /nfs/dbraw/zinc/37/52/37/357375237.db2.gz UITLGKNWHRRNAC-SNVBAGLBSA-N -1 3 248.326 2.075 20 0 BEADHM CCC(CC)(CO)C(=O)Nc1ccccc1[O-] ZINC000582613827 357353603 /nfs/dbraw/zinc/35/36/03/357353603.db2.gz HPDDJLIHRNTIQJ-UHFFFAOYSA-N -1 3 237.299 2.129 20 0 BEADHM Cc1ccc(NC(=O)CCC(C)(C)O)c([O-])c1 ZINC000583060477 357471071 /nfs/dbraw/zinc/47/10/71/357471071.db2.gz UQKCYDBRDKHUAC-UHFFFAOYSA-N -1 3 237.299 2.190 20 0 BEADHM Cc1nnc(SCc2ncccc2[O-])s1 ZINC000583062900 357471591 /nfs/dbraw/zinc/47/15/91/357471591.db2.gz BFHVBGCQFMJMTL-UHFFFAOYSA-N -1 3 239.325 2.239 20 0 BEADHM Cc1ccc(NC(=O)C23CC(C2)C3)c([O-])c1 ZINC000623416278 357833622 /nfs/dbraw/zinc/83/36/22/357833622.db2.gz PBMRFTAAUKJXNK-UHFFFAOYSA-N -1 3 217.268 2.439 20 0 BEADHM CC[C@]1(C)CCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000399283656 357901208 /nfs/dbraw/zinc/90/12/08/357901208.db2.gz CGEVQMCTOVWYQG-CQSZACIVSA-N -1 3 248.326 2.402 20 0 BEADHM COc1ccc(C(=O)N(C)[C@H](C)C2CC2)c([O-])c1 ZINC000035207592 357968862 /nfs/dbraw/zinc/96/88/62/357968862.db2.gz MLPVUCPYCIFFSV-SECBINFHSA-N -1 3 249.310 2.271 20 0 BEADHM O=C([O-])c1cnccc1N[C@H]1CCCSC1 ZINC000220784088 358052368 /nfs/dbraw/zinc/05/23/68/358052368.db2.gz VKSHPQRSWYBJQW-QMMMGPOBSA-N -1 3 238.312 2.087 20 0 BEADHM Cc1cc(CN(C)CC(C)C)oc1C(=O)[O-] ZINC000036812845 358052850 /nfs/dbraw/zinc/05/28/50/358052850.db2.gz FKMIPSFLGCCNMI-UHFFFAOYSA-N -1 3 225.288 2.374 20 0 BEADHM CC[C@H](C)CN(C)Cc1ccoc1C(=O)[O-] ZINC000037173647 358059756 /nfs/dbraw/zinc/05/97/56/358059756.db2.gz RAGIRZPVMABELN-VIFPVBQESA-N -1 3 225.288 2.456 20 0 BEADHM Cc1oc(CN2CCC[C@@H]2C)cc1C(=O)[O-] ZINC000037911362 358097605 /nfs/dbraw/zinc/09/76/05/358097605.db2.gz QIGMUUSBRMOCRQ-QMMMGPOBSA-N -1 3 223.272 2.271 20 0 BEADHM CC/C=C/CN=c1[n-]c(C(=O)OC)c(C)s1 ZINC000450696053 202238039 /nfs/dbraw/zinc/23/80/39/202238039.db2.gz RRTUVHALGLZFHB-AATRIKPKSA-N -1 3 240.328 2.038 20 0 BEADHM CCOCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274392942 535413338 /nfs/dbraw/zinc/41/33/38/535413338.db2.gz QBOKMQUINZWKDV-JTQLQIEISA-N -1 3 249.310 2.269 20 0 BEADHM O=C([O-])CCCNCc1cccc(Cl)c1F ZINC000229237097 358370333 /nfs/dbraw/zinc/37/03/33/358370333.db2.gz PBABGAWIXHSUKC-UHFFFAOYSA-N -1 3 245.681 2.434 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCCc2ccco2)c1 ZINC000042209180 358519021 /nfs/dbraw/zinc/51/90/21/358519021.db2.gz ZWMXQDVKRFXCRL-UHFFFAOYSA-N -1 3 245.278 2.266 20 0 BEADHM O=C([N-]c1cccc(F)c1F)c1cnns1 ZINC000049388018 358685968 /nfs/dbraw/zinc/68/59/68/358685968.db2.gz MMYFXXJUZFYNHY-UHFFFAOYSA-N -1 3 241.222 2.069 20 0 BEADHM CCN(CC)C(=O)Cc1ccc([O-])cc1Cl ZINC000136056628 358861422 /nfs/dbraw/zinc/86/14/22/358861422.db2.gz JNCWBBCFAVDIQA-UHFFFAOYSA-N -1 3 241.718 2.457 20 0 BEADHM O=C([O-])CCCN1CCS[C@H]2CCCC[C@H]21 ZINC000176928874 134295125 /nfs/dbraw/zinc/29/51/25/134295125.db2.gz ACVBEAAVLBVIQX-MNOVXSKESA-N -1 3 243.372 2.211 20 0 BEADHM O=c1cc(-c2noc([C@H]3CC=CCC3)n2)nc[n-]1 ZINC000351372523 366518698 /nfs/dbraw/zinc/51/86/98/366518698.db2.gz PIQQTFUUISBRMR-QMMMGPOBSA-N -1 3 244.254 2.056 20 0 BEADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1ccncc1[O-] ZINC000136791112 358885643 /nfs/dbraw/zinc/88/56/43/358885643.db2.gz KJLNRUJCHPGYQT-PRHODGIISA-N -1 3 220.272 2.162 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC1CC(F)(F)C1 ZINC000626664326 359019899 /nfs/dbraw/zinc/01/98/99/359019899.db2.gz PORBNRIXAFHEDY-UHFFFAOYSA-N -1 3 241.237 2.228 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CCCCCO1 ZINC000626630426 358995606 /nfs/dbraw/zinc/99/56/06/358995606.db2.gz URIOTKIEJPTKKH-UHFFFAOYSA-N -1 3 235.283 2.258 20 0 BEADHM Cc1ccccc1C(=O)Nc1ncccc1[O-] ZINC000073050311 359095464 /nfs/dbraw/zinc/09/54/64/359095464.db2.gz XSNKJRCVXOITFM-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM FC(F)(F)c1nnc([N-]CC2(F)CC2)o1 ZINC000308914566 491140140 /nfs/dbraw/zinc/14/01/40/491140140.db2.gz GWOMGCIBZTXKHD-UHFFFAOYSA-N -1 3 225.145 2.002 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000626693654 359491965 /nfs/dbraw/zinc/49/19/65/359491965.db2.gz MYAKMCDSWGQOIS-IWIIMEHWSA-N -1 3 231.295 2.229 20 0 BEADHM CC(C)=CCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000451133754 202362473 /nfs/dbraw/zinc/36/24/73/202362473.db2.gz NRUGXRDVIDSNFB-UHFFFAOYSA-N -1 3 237.274 2.156 20 0 BEADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000612629860 359944580 /nfs/dbraw/zinc/94/45/80/359944580.db2.gz AIQZQYDCRCHLIS-URLYPYJESA-N -1 3 249.285 2.194 20 0 BEADHM O=C(NCc1ccc([O-])c(F)c1)C1CC2(CC2)C1 ZINC000612633021 359951111 /nfs/dbraw/zinc/95/11/11/359951111.db2.gz UTOXFOSZBJHZCT-UHFFFAOYSA-N -1 3 249.285 2.338 20 0 BEADHM CC(C)(NCc1ncccc1[O-])c1nccs1 ZINC000578919386 366675387 /nfs/dbraw/zinc/67/53/87/366675387.db2.gz JRNMQRJIYCWYCD-UHFFFAOYSA-N -1 3 249.339 2.269 20 0 BEADHM Cc1ccc(C(=O)N(C2CC2)C2CC2)c([O-])c1 ZINC000628815122 360667273 /nfs/dbraw/zinc/66/72/73/360667273.db2.gz KBCRQCBRZLEENR-UHFFFAOYSA-N -1 3 231.295 2.468 20 0 BEADHM COc1cccc(C(=O)N(C2CC2)C2CC2)c1[O-] ZINC000628819732 360674305 /nfs/dbraw/zinc/67/43/05/360674305.db2.gz LBRBYHQMLULKNQ-UHFFFAOYSA-N -1 3 247.294 2.168 20 0 BEADHM Cc1cccc(C(=O)N(C2CC2)C2CC2)c1[O-] ZINC000628819682 360674453 /nfs/dbraw/zinc/67/44/53/360674453.db2.gz IUUJHXXYUGTETF-UHFFFAOYSA-N -1 3 231.295 2.468 20 0 BEADHM CC1(C)CC[C@H]1NC(=O)c1c([O-])cccc1O ZINC000288053733 360752337 /nfs/dbraw/zinc/75/23/37/360752337.db2.gz FGPVTOZTPUZLKQ-SNVBAGLBSA-N -1 3 235.283 2.016 20 0 BEADHM CCOC(=O)Cc1ccc(Cl)cc1[O-] ZINC000238259527 360762600 /nfs/dbraw/zinc/76/26/00/360762600.db2.gz ZXLHFPMPCDUKET-UHFFFAOYSA-N -1 3 214.648 2.151 20 0 BEADHM O=C([O-])CCCCN1CCc2c(O)cccc2C1 ZINC000629500945 361101375 /nfs/dbraw/zinc/10/13/75/361101375.db2.gz HRHVNGREKJMUFA-UHFFFAOYSA-N -1 3 249.310 2.005 20 0 BEADHM O=C(Nc1cccc2n[n-]nc21)C1CC2(CC2)C1 ZINC000640379732 361188999 /nfs/dbraw/zinc/18/89/99/361188999.db2.gz QGRYVNCSBGJMGG-UHFFFAOYSA-N -1 3 242.282 2.087 20 0 BEADHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1cccc2n[n-]nc21 ZINC000640380610 361189813 /nfs/dbraw/zinc/18/98/13/361189813.db2.gz UZJBEJGIORDIEX-BDAKNGLRSA-N -1 3 244.298 2.189 20 0 BEADHM CO[C@H](C(=O)Nc1c(C)cccc1[O-])C1CCC1 ZINC000613207344 361217944 /nfs/dbraw/zinc/21/79/44/361217944.db2.gz PSCKCJSASVOPPC-ZDUSSCGKSA-N -1 3 249.310 2.454 20 0 BEADHM Cc1ccc(F)c(CN[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC000578995346 366689879 /nfs/dbraw/zinc/68/98/79/366689879.db2.gz JBUFBWVMBUCXEP-VHSXEESVSA-N -1 3 239.290 2.333 20 0 BEADHM CCC(C)(C)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000428390433 201013783 /nfs/dbraw/zinc/01/37/83/201013783.db2.gz BWEYIXJNCBPKSU-UHFFFAOYSA-N -1 3 245.344 2.303 20 0 BEADHM CC1(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)CC1 ZINC000435677444 201281529 /nfs/dbraw/zinc/28/15/29/201281529.db2.gz GFRVDQYVDJUHNO-UHFFFAOYSA-N -1 3 241.294 2.237 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCC[C@H](C)F)c1 ZINC000436549007 201330454 /nfs/dbraw/zinc/33/04/54/201330454.db2.gz VXPYSFGEYPFCSJ-VIFPVBQESA-N -1 3 225.263 2.179 20 0 BEADHM Cc1cccc(C(=O)NCC[C@@H](C)F)c1[O-] ZINC000436543114 201330680 /nfs/dbraw/zinc/33/06/80/201330680.db2.gz JYQIBTMGNURJCC-SECBINFHSA-N -1 3 225.263 2.179 20 0 BEADHM Cc1ccc(C(=O)N[C@H]2CCC[C@H]2F)c([O-])c1 ZINC000436766302 201335871 /nfs/dbraw/zinc/33/58/71/201335871.db2.gz CMSDFFGXNDBYGE-MNOVXSKESA-N -1 3 237.274 2.321 20 0 BEADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])[C@H](C)[C@@H](C)O1 ZINC000436887014 201341710 /nfs/dbraw/zinc/34/17/10/201341710.db2.gz IKIFRTPYMFTHRI-GMTAPVOTSA-N -1 3 249.310 2.030 20 0 BEADHM CC[C@H]1CC[C@H](C(=O)Nc2ccncc2[O-])CC1 ZINC000438149851 201394494 /nfs/dbraw/zinc/39/44/94/201394494.db2.gz IJDWOGQCABPNHH-XYPYZODXSA-N -1 3 248.326 2.364 20 0 BEADHM Cc1cnc(CNCc2nc(C)ccc2[O-])s1 ZINC000230687076 364090600 /nfs/dbraw/zinc/09/06/00/364090600.db2.gz IOVARGMNTILQGB-UHFFFAOYSA-N -1 3 249.339 2.150 20 0 BEADHM CC(C)c1cnc(S(=O)(=O)CCC2CC2)[n-]1 ZINC000630431816 364159478 /nfs/dbraw/zinc/15/94/78/364159478.db2.gz CIOJBOIMVFSHQZ-UHFFFAOYSA-N -1 3 242.344 2.107 20 0 BEADHM CC(C)c1c[n-]c(S(=O)(=O)CCC2CC2)n1 ZINC000630431816 364159482 /nfs/dbraw/zinc/15/94/82/364159482.db2.gz CIOJBOIMVFSHQZ-UHFFFAOYSA-N -1 3 242.344 2.107 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2C[C@H](C)O[C@H]2C)c([O-])c1 ZINC000630438949 364167527 /nfs/dbraw/zinc/16/75/27/364167527.db2.gz GVIYNSVCAXAZJV-GARJFASQSA-N -1 3 249.310 2.453 20 0 BEADHM CC[C@](C)(NC(=O)c1csc(=O)[n-]1)C1CC1 ZINC000618962873 364425333 /nfs/dbraw/zinc/42/53/33/364425333.db2.gz YFMWKIZUHKBERD-NSHDSACASA-N -1 3 240.328 2.157 20 0 BEADHM CCN(Cc1ccccn1)Cc1ncccc1[O-] ZINC000579527540 366845731 /nfs/dbraw/zinc/84/57/31/366845731.db2.gz HBEWERVIELQXAN-UHFFFAOYSA-N -1 3 243.310 2.204 20 0 BEADHM Cc1ccc(-c2nnc(NC(=O)C3(C)CC3)[n-]2)o1 ZINC000181882321 366853051 /nfs/dbraw/zinc/85/30/51/366853051.db2.gz TXZNKFOWZSQXEH-UHFFFAOYSA-N -1 3 246.270 2.112 20 0 BEADHM Cc1ccc(-c2n[n-]c(NC(=O)C3(C)CC3)n2)o1 ZINC000181882321 366853052 /nfs/dbraw/zinc/85/30/52/366853052.db2.gz TXZNKFOWZSQXEH-UHFFFAOYSA-N -1 3 246.270 2.112 20 0 BEADHM Cc1ccc(-c2nc(NC(=O)C3(C)CC3)n[n-]2)o1 ZINC000181882321 366853056 /nfs/dbraw/zinc/85/30/56/366853056.db2.gz TXZNKFOWZSQXEH-UHFFFAOYSA-N -1 3 246.270 2.112 20 0 BEADHM O=C(CCC1(O)CCC1)Nc1ccccc1[O-] ZINC000630795169 364562578 /nfs/dbraw/zinc/56/25/78/364562578.db2.gz AKCCHNDAGFPESD-UHFFFAOYSA-N -1 3 235.283 2.026 20 0 BEADHM Cc1c(C(=O)Nc2cc(F)ccc2[O-])ccn1C ZINC000192561105 541371577 /nfs/dbraw/zinc/37/15/77/541371577.db2.gz PSEUYSWDKRXEKX-UHFFFAOYSA-N -1 3 248.257 2.431 20 0 BEADHM COc1cccc(C(=O)NCC2CC(C)C2)c1[O-] ZINC000622243074 370794256 /nfs/dbraw/zinc/79/42/56/370794256.db2.gz VTMSMSHZODLJLV-UHFFFAOYSA-N -1 3 249.310 2.177 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])c1ccco1 ZINC000174871986 365519058 /nfs/dbraw/zinc/51/90/58/365519058.db2.gz GCSOAHBAJHEICW-UHFFFAOYSA-N -1 3 221.187 2.377 20 0 BEADHM O=C(Nc1ccsc1)c1cccc2nn[n-]c21 ZINC000182775295 366938708 /nfs/dbraw/zinc/93/87/08/366938708.db2.gz ZONWJKHHJVJQEW-UHFFFAOYSA-N -1 3 244.279 2.272 20 0 BEADHM O=C(Nc1ccsc1)c1cccc2[n-]nnc21 ZINC000182775295 366938712 /nfs/dbraw/zinc/93/87/12/366938712.db2.gz ZONWJKHHJVJQEW-UHFFFAOYSA-N -1 3 244.279 2.272 20 0 BEADHM O=C(Nc1ccsc1)c1cccc2n[n-]nc21 ZINC000182775295 366938717 /nfs/dbraw/zinc/93/87/17/366938717.db2.gz ZONWJKHHJVJQEW-UHFFFAOYSA-N -1 3 244.279 2.272 20 0 BEADHM Cc1cc(C(=O)NCC(C)(F)F)ccc1[O-] ZINC000579748798 367000538 /nfs/dbraw/zinc/00/05/38/367000538.db2.gz UENOEPSDJGQIEO-UHFFFAOYSA-N -1 3 229.226 2.086 20 0 BEADHM CSCC[C@H](C)N(C)Cc1ncccc1[O-] ZINC000579763521 367002597 /nfs/dbraw/zinc/00/25/97/367002597.db2.gz BMHHRGDPNNBVHY-JTQLQIEISA-N -1 3 240.372 2.361 20 0 BEADHM C[C@H]1SCCN(Cc2ncccc2[O-])[C@H]1C ZINC000579764343 367004041 /nfs/dbraw/zinc/00/40/41/367004041.db2.gz UWBISNDXGDUXBW-VHSXEESVSA-N -1 3 238.356 2.113 20 0 BEADHM O=[S@@](Cc1nccs1)c1cccc([O-])c1 ZINC000184069664 367062933 /nfs/dbraw/zinc/06/29/33/367062933.db2.gz FKLYCZSBPBVPAW-HNNXBMFYSA-N -1 3 239.321 2.157 20 0 BEADHM CC(C)O[N-]C(=O)/C=C/c1cccc(F)c1 ZINC000382112823 367487250 /nfs/dbraw/zinc/48/72/50/367487250.db2.gz RMWNBATYYCMCBG-VOTSOKGWSA-N -1 3 223.247 2.295 20 0 BEADHM CC1=CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC000382528376 367533483 /nfs/dbraw/zinc/53/34/83/367533483.db2.gz IRWDWLOSCXAUSO-UHFFFAOYSA-N -1 3 221.256 2.130 20 0 BEADHM CC/C=C\C[N-]S(=O)(=O)c1ccccc1F ZINC000385032856 367775270 /nfs/dbraw/zinc/77/52/70/367775270.db2.gz QAOKBDCDJPRORI-UTCJRWHESA-N -1 3 243.303 2.070 20 0 BEADHM Cc1ccoc1C(=O)[N-]c1nnc(C)s1 ZINC000021668348 367978279 /nfs/dbraw/zinc/97/82/79/367978279.db2.gz TXVDIOBJKHTIOT-UHFFFAOYSA-N -1 3 223.257 2.000 20 0 BEADHM CCc1ccc(C(=O)NCCSC)c([O-])c1 ZINC000615673735 368181119 /nfs/dbraw/zinc/18/11/19/368181119.db2.gz IOFAXLYRWXSCLX-UHFFFAOYSA-N -1 3 239.340 2.047 20 0 BEADHM CO[N-]C(=O)CCCCOc1cccc(C)c1 ZINC000057428285 368492242 /nfs/dbraw/zinc/49/22/42/368492242.db2.gz KHCRMRAMKMMVES-UHFFFAOYSA-N -1 3 237.299 2.222 20 0 BEADHM CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000060358521 368541050 /nfs/dbraw/zinc/54/10/50/368541050.db2.gz OIONCOXSIPXCCS-UHFFFAOYSA-N -1 3 241.290 2.343 20 0 BEADHM CCCC[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000060477157 368544544 /nfs/dbraw/zinc/54/45/44/368544544.db2.gz GXXBAPJQPMTINA-UHFFFAOYSA-N -1 3 249.282 2.043 20 0 BEADHM CCO[N-]C(=O)CCOc1ccc(Cl)cc1 ZINC000068063023 368712033 /nfs/dbraw/zinc/71/20/33/368712033.db2.gz LMCIXPBEDWSXRU-UHFFFAOYSA-N -1 3 243.690 2.177 20 0 BEADHM CO[N-]C(=O)CCOc1ccc(C(C)C)cc1 ZINC000067144843 368679603 /nfs/dbraw/zinc/67/96/03/368679603.db2.gz IXAYLKXODFSAJP-UHFFFAOYSA-N -1 3 237.299 2.257 20 0 BEADHM C[C@@H]1CN(CCCCCC(=O)[O-])CC(C)(C)O1 ZINC000083679568 368803341 /nfs/dbraw/zinc/80/33/41/368803341.db2.gz BOUYQCBXPIDLTP-LLVKDONJSA-N -1 3 243.347 2.131 20 0 BEADHM C[C@H]1CCC[C@@H](CNC(=O)c2ccccc2[O-])O1 ZINC000618565764 369174337 /nfs/dbraw/zinc/17/43/37/369174337.db2.gz BWTRKJUSUSFRAL-QWRGUYRKSA-N -1 3 249.310 2.080 20 0 BEADHM C[C@@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000459309888 203251982 /nfs/dbraw/zinc/25/19/82/203251982.db2.gz QECPAPJOEIIDKN-SNVBAGLBSA-N -1 3 247.342 2.292 20 0 BEADHM O=C(Nc1ncccc1[O-])c1cncc(Cl)c1 ZINC000622505019 370968845 /nfs/dbraw/zinc/96/88/45/370968845.db2.gz KXHYAWYLMDRZLV-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM C[C@H](C[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000619663625 369515666 /nfs/dbraw/zinc/51/56/66/369515666.db2.gz IHPWNQRHKZFEFM-MRVPVSSYSA-N -1 3 245.369 2.073 20 0 BEADHM COc1cc(C(=O)N[C@]2(C)CC2(C)C)ccc1[O-] ZINC000620077309 369713225 /nfs/dbraw/zinc/71/32/25/369713225.db2.gz DZHKBSNGVLAHLS-CQSZACIVSA-N -1 3 249.310 2.319 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@]2(C)CC2(C)C)c1 ZINC000620081455 369720019 /nfs/dbraw/zinc/72/00/19/369720019.db2.gz FERHWQQXFVJMFX-CQSZACIVSA-N -1 3 249.310 2.319 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@H](C)C(F)(F)F ZINC000627304915 369850739 /nfs/dbraw/zinc/85/07/39/369850739.db2.gz IVYGZCRLYBXADJ-SSDOTTSWSA-N -1 3 247.216 2.381 20 0 BEADHM CN(CC1=CCSC1)C(=O)c1cccc([O-])c1 ZINC000620846621 370004803 /nfs/dbraw/zinc/00/48/03/370004803.db2.gz CBLWNUJBIQKFAS-UHFFFAOYSA-N -1 3 249.335 2.137 20 0 BEADHM CC12CC(C1)CN2C(=O)c1cccc([O-])c1 ZINC000621208397 370149916 /nfs/dbraw/zinc/14/99/16/370149916.db2.gz CYCNLKMWUYMMHD-UHFFFAOYSA-N -1 3 217.268 2.017 20 0 BEADHM CC(C)CCN(C)C(=O)c1cc(F)c[n-]c1=O ZINC000621530994 370380089 /nfs/dbraw/zinc/38/00/89/370380089.db2.gz LWQVDGBAPIFRNL-UHFFFAOYSA-N -1 3 240.278 2.044 20 0 BEADHM CC(C)(C)CCNC(=O)c1cc(F)c[n-]c1=O ZINC000621560767 370389130 /nfs/dbraw/zinc/38/91/30/370389130.db2.gz DEAYPQWSJAKMCB-UHFFFAOYSA-N -1 3 240.278 2.092 20 0 BEADHM Cc1cc(CN2CCC[C@H](CC(=O)[O-])C2)ccn1 ZINC000621773118 370517659 /nfs/dbraw/zinc/51/76/59/370517659.db2.gz GOBBTAXQFFKBNL-GFCCVEGCSA-N -1 3 248.326 2.077 20 0 BEADHM Cc1cc(CNC(=O)c2ccccc2[O-])ccn1 ZINC000391261933 371281143 /nfs/dbraw/zinc/28/11/43/371281143.db2.gz IDSFFRWWXLQYAO-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM Cc1cccc([O-])c1C(=O)NCC[C@@H](C)F ZINC000627535837 371690134 /nfs/dbraw/zinc/69/01/34/371690134.db2.gz YUEWOLJOHITBIK-SECBINFHSA-N -1 3 225.263 2.179 20 0 BEADHM CCC1(NC(=O)c2c(C)cccc2[O-])CC1 ZINC000627581302 371760257 /nfs/dbraw/zinc/76/02/57/371760257.db2.gz CANVQJGKAZNBEL-UHFFFAOYSA-N -1 3 219.284 2.373 20 0 BEADHM O=C(NCc1ccc([O-])c(F)c1)c1ccoc1 ZINC000132856340 371938460 /nfs/dbraw/zinc/93/84/60/371938460.db2.gz AHVGROQLTGEAMS-UHFFFAOYSA-N -1 3 235.214 2.054 20 0 BEADHM Cc1ccnc(-c2nc3ccccc3c(=O)[n-]2)c1 ZINC000171880990 372809803 /nfs/dbraw/zinc/80/98/03/372809803.db2.gz QPKBELXFNDGTNT-UHFFFAOYSA-N -1 3 237.262 2.294 20 0 BEADHM O=C(C[C@H]1CCCC[C@@H]1O)Nc1ccccc1[O-] ZINC000280826367 182027454 /nfs/dbraw/zinc/02/74/54/182027454.db2.gz SVNPIYKLHAKNEL-PWSUYJOCSA-N -1 3 249.310 2.272 20 0 BEADHM O=C(Cc1ccc(F)cc1)[N-]OC1CCCC1 ZINC000074581272 182035540 /nfs/dbraw/zinc/03/55/40/182035540.db2.gz RCQQVESURFNYEJ-UHFFFAOYSA-N -1 3 237.274 2.359 20 0 BEADHM O=C([N-]C1CC1)C(F)(F)c1c(F)cccc1F ZINC000270150663 182094272 /nfs/dbraw/zinc/09/42/72/182094272.db2.gz VENSFOZKMCHSAK-UHFFFAOYSA-N -1 3 247.191 2.335 20 0 BEADHM Cc1cccc(C(=O)N2CC[C@H]2C(F)F)c1[O-] ZINC000633230083 373376039 /nfs/dbraw/zinc/37/60/39/373376039.db2.gz KLNJORXMUKMEDR-VIFPVBQESA-N -1 3 241.237 2.180 20 0 BEADHM O=C(NC1CCC1)c1cc([O-])ccc1Cl ZINC000236609362 182106258 /nfs/dbraw/zinc/10/62/58/182106258.db2.gz BJAZRDJTSXOOQB-UHFFFAOYSA-N -1 3 225.675 2.328 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@@H]2C(F)F)c([O-])c1 ZINC000633238039 373389299 /nfs/dbraw/zinc/38/92/99/373389299.db2.gz ZAVRRAGHJQLWMY-SECBINFHSA-N -1 3 241.237 2.180 20 0 BEADHM O=C(NCCOC1CCCC1)c1cccc([O-])c1 ZINC000111642474 182194938 /nfs/dbraw/zinc/19/49/38/182194938.db2.gz JZZDSALMQOKKRL-UHFFFAOYSA-N -1 3 249.310 2.081 20 0 BEADHM O=C(N[C@]12C[C@H]1CCCC2)c1ccccc1[O-] ZINC000634081008 373945637 /nfs/dbraw/zinc/94/56/37/373945637.db2.gz LTKCMWQGSBEIOF-QMTHXVAHSA-N -1 3 231.295 2.455 20 0 BEADHM O=C(NCC[C@H]1CCCCO1)c1ccccc1[O-] ZINC000182847828 182200125 /nfs/dbraw/zinc/20/01/25/182200125.db2.gz LYDTVHIOIRDRPU-LLVKDONJSA-N -1 3 249.310 2.081 20 0 BEADHM O=C(NCc1cccc(O)c1)c1ccccc1[O-] ZINC000038032282 182254849 /nfs/dbraw/zinc/25/48/49/182254849.db2.gz TUXCUEQFOPWWOH-UHFFFAOYSA-N -1 3 243.262 2.028 20 0 BEADHM O=C(NCc1ccc([O-])c(F)c1)C1CCCC1 ZINC000132723032 182251714 /nfs/dbraw/zinc/25/17/14/182251714.db2.gz XCPSHYUMWBPWMG-UHFFFAOYSA-N -1 3 237.274 2.338 20 0 BEADHM O=C(NCc1ncccc1[O-])Nc1ccsc1 ZINC000336497715 182273224 /nfs/dbraw/zinc/27/32/24/182273224.db2.gz ZKJGGEWHONQETG-UHFFFAOYSA-N -1 3 249.295 2.170 20 0 BEADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccsc1 ZINC000162301817 182284887 /nfs/dbraw/zinc/28/48/87/182284887.db2.gz ZYQICADFQNAYIX-SECBINFHSA-N -1 3 242.300 2.328 20 0 BEADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccsc1 ZINC000162301817 182284890 /nfs/dbraw/zinc/28/48/90/182284890.db2.gz ZYQICADFQNAYIX-SECBINFHSA-N -1 3 242.300 2.328 20 0 BEADHM Cc1c2occ([O-])c2ccc1OCC1CC1 ZINC000634560218 374318285 /nfs/dbraw/zinc/31/82/85/374318285.db2.gz AFIIALDXYVZARU-UHFFFAOYSA-N -1 3 218.252 2.359 20 0 BEADHM O=C([N-]OCC1CC1)Nc1ccc(F)c(F)c1 ZINC000292500568 182281395 /nfs/dbraw/zinc/28/13/95/182281395.db2.gz CJVFSJZSNLXHLD-UHFFFAOYSA-N -1 3 242.225 2.428 20 0 BEADHM O=C([N-]OCC1CC1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000293809927 182281402 /nfs/dbraw/zinc/28/14/02/182281402.db2.gz QMVYRWRMTCGGII-STQMWFEESA-N -1 3 249.285 2.387 20 0 BEADHM [O-]C(=NOCC1CC1)Nc1cccnc1Cl ZINC000292305686 182282457 /nfs/dbraw/zinc/28/24/57/182282457.db2.gz KVNWDYANXBDLSP-UHFFFAOYSA-N -1 3 241.678 2.198 20 0 BEADHM O=C([N-]OCC1CC1)Nc1cccnc1Cl ZINC000292305686 182282458 /nfs/dbraw/zinc/28/24/58/182282458.db2.gz KVNWDYANXBDLSP-UHFFFAOYSA-N -1 3 241.678 2.198 20 0 BEADHM O=C([N-]OCC1CC1)c1ccc(F)c(F)c1F ZINC000293693374 182282472 /nfs/dbraw/zinc/28/24/72/182282472.db2.gz CLQQHPVITAOTAS-UHFFFAOYSA-N -1 3 245.200 2.175 20 0 BEADHM O=C(N[C@@H]1CCCSC1)c1ccccc1[O-] ZINC000129157994 182297768 /nfs/dbraw/zinc/29/77/68/182297768.db2.gz DYBBCTIFBJOULW-SECBINFHSA-N -1 3 237.324 2.018 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)c1cscn1 ZINC000082879360 182360592 /nfs/dbraw/zinc/36/05/92/182360592.db2.gz QQGMUHFFTFGUQK-UHFFFAOYSA-N -1 3 238.243 2.240 20 0 BEADHM O=C(Nc1cccc(C2CCC2)c1)c1cnn[n-]1 ZINC000291336421 182368572 /nfs/dbraw/zinc/36/85/72/182368572.db2.gz USCBWTAEMAYNJY-UHFFFAOYSA-N -1 3 242.282 2.325 20 0 BEADHM O=C(Nc1cccc(C2CCC2)c1)c1c[n-]nn1 ZINC000291336421 182368573 /nfs/dbraw/zinc/36/85/73/182368573.db2.gz USCBWTAEMAYNJY-UHFFFAOYSA-N -1 3 242.282 2.325 20 0 BEADHM O=C(Nc1cccc(C2CCC2)c1)c1cn[n-]n1 ZINC000291336421 182368574 /nfs/dbraw/zinc/36/85/74/182368574.db2.gz USCBWTAEMAYNJY-UHFFFAOYSA-N -1 3 242.282 2.325 20 0 BEADHM O=C([O-])C1CN(Cc2cccc(C3CC3)c2)C1 ZINC000094525643 182429417 /nfs/dbraw/zinc/42/94/17/182429417.db2.gz HOIBCIAEXHCFRR-UHFFFAOYSA-N -1 3 231.295 2.080 20 0 BEADHM CCCC[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000298421496 168872869 /nfs/dbraw/zinc/87/28/69/168872869.db2.gz QYMJELPDPYHBRE-UHFFFAOYSA-N -1 3 245.319 2.213 20 0 BEADHM CCCCc1ccc(NC(=O)c2nc[n-]n2)cc1 ZINC000095039142 169021892 /nfs/dbraw/zinc/02/18/92/169021892.db2.gz JHTVUQRNCSVBNV-UHFFFAOYSA-N -1 3 244.298 2.400 20 0 BEADHM CCCCc1nc(CO[N-]C(C)=O)cs1 ZINC000084489709 169025696 /nfs/dbraw/zinc/02/56/96/169025696.db2.gz QSNFFQYIUZZKSX-UHFFFAOYSA-N -1 3 228.317 2.053 20 0 BEADHM [O-]c1ccc(-c2noc(C[C@@H]3CCCO3)n2)cc1 ZINC000078643170 183265722 /nfs/dbraw/zinc/26/57/22/183265722.db2.gz RNCITPDLGQTWSU-NSHDSACASA-N -1 3 246.266 2.164 20 0 BEADHM CCCN(CCC)C(=O)c1ccc(O)cc1[O-] ZINC000148970820 169146314 /nfs/dbraw/zinc/14/63/14/169146314.db2.gz ZAMMIZDITKRUNN-UHFFFAOYSA-N -1 3 237.299 2.360 20 0 BEADHM [O-]c1cccc(CNC[C@H]2CCCO2)c1Cl ZINC000295066154 183290670 /nfs/dbraw/zinc/29/06/70/183290670.db2.gz OWAZENBORWCING-SNVBAGLBSA-N -1 3 241.718 2.314 20 0 BEADHM [O-]c1cccc(CN[C@@H]2CCCOC2)c1Cl ZINC000293626139 183290732 /nfs/dbraw/zinc/29/07/32/183290732.db2.gz QRLXXTQXYVPRFH-SNVBAGLBSA-N -1 3 241.718 2.314 20 0 BEADHM [O-]c1ccccc1-c1nc(C2CCOCC2)no1 ZINC000087812926 183299962 /nfs/dbraw/zinc/29/99/62/183299962.db2.gz DCUHRMDIYPEPMJ-UHFFFAOYSA-N -1 3 246.266 2.336 20 0 BEADHM c1cc(CNc2cccc(-c3nnn[n-]3)c2)co1 ZINC000063047239 183357810 /nfs/dbraw/zinc/35/78/10/183357810.db2.gz QKLRXCXLKDWZOV-UHFFFAOYSA-N -1 3 241.254 2.072 20 0 BEADHM c1cc(CNc2cccc(-c3nn[n-]n3)c2)co1 ZINC000063047239 183357811 /nfs/dbraw/zinc/35/78/11/183357811.db2.gz QKLRXCXLKDWZOV-UHFFFAOYSA-N -1 3 241.254 2.072 20 0 BEADHM CCCNC(=S)Nc1ccc(C)cc1[O-] ZINC000025070382 169255100 /nfs/dbraw/zinc/25/51/00/169255100.db2.gz WAEUCEWJFHYXGN-UHFFFAOYSA-N -1 3 224.329 2.397 20 0 BEADHM [O-]c1ccccc1-c1nc([C@@H]2CCCOC2)no1 ZINC000087815963 383867465 /nfs/dbraw/zinc/86/74/65/383867465.db2.gz WFAHIJQXZKSJIP-SECBINFHSA-N -1 3 246.266 2.336 20 0 BEADHM CC[C@H]1CN(C(=O)c2ccccc2[O-])C[C@H](C)O1 ZINC000111644581 383873513 /nfs/dbraw/zinc/87/35/13/383873513.db2.gz HEUVLTBQAUMXDT-QWRGUYRKSA-N -1 3 249.310 2.032 20 0 BEADHM COc1ccc([O-])c(-c2nc(C3CC3)no2)c1 ZINC000111687469 383875850 /nfs/dbraw/zinc/87/58/50/383875850.db2.gz VTMVOIVHQHKZLO-UHFFFAOYSA-N -1 3 232.239 2.328 20 0 BEADHM Cc1ccc([O-])c(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000647147723 383884545 /nfs/dbraw/zinc/88/45/45/383884545.db2.gz YOTVYGHNAKWORN-JTQLQIEISA-N -1 3 245.282 2.175 20 0 BEADHM Cc1ccc(F)c(CN2CCC[C@H]2C(=O)[O-])c1 ZINC000235903078 384048610 /nfs/dbraw/zinc/04/86/10/384048610.db2.gz IGIAIGHTCOZYKS-LBPRGKRZSA-N -1 3 237.274 2.183 20 0 BEADHM Cc1cccc(C(=O)N[C@@H]2CC[C@@H]2C)c1[O-] ZINC000309433709 384075805 /nfs/dbraw/zinc/07/58/05/384075805.db2.gz MJMDYXJHLNCBAR-GZMMTYOYSA-N -1 3 219.284 2.229 20 0 BEADHM O=C(CCC1CC1)Nc1nnc(-c2ccco2)[n-]1 ZINC000115361211 384078702 /nfs/dbraw/zinc/07/87/02/384078702.db2.gz TVDQLEAJPWHGTI-UHFFFAOYSA-N -1 3 246.270 2.193 20 0 BEADHM O=C(CCC1CC1)Nc1nc(-c2ccco2)n[n-]1 ZINC000115361211 384078709 /nfs/dbraw/zinc/07/87/09/384078709.db2.gz TVDQLEAJPWHGTI-UHFFFAOYSA-N -1 3 246.270 2.193 20 0 BEADHM O=C(CCC1CC1)Nc1n[n-]c(-c2ccco2)n1 ZINC000115361211 384078717 /nfs/dbraw/zinc/07/87/17/384078717.db2.gz TVDQLEAJPWHGTI-UHFFFAOYSA-N -1 3 246.270 2.193 20 0 BEADHM O=C(c1c([O-])cccc1O)N1CCC2(CCC2)C1 ZINC000092124723 384120478 /nfs/dbraw/zinc/12/04/78/384120478.db2.gz MDMZFBYAUXBRDF-UHFFFAOYSA-N -1 3 247.294 2.114 20 0 BEADHM C[C@@H](CC1CC1)NC(=O)c1c([O-])cccc1O ZINC000092121836 384141746 /nfs/dbraw/zinc/14/17/46/384141746.db2.gz DGCVMNAXMFXMPQ-QMMMGPOBSA-N -1 3 235.283 2.016 20 0 BEADHM CN(CC(C)(C)C)C(=O)c1c([O-])cccc1O ZINC000092120780 384166040 /nfs/dbraw/zinc/16/60/40/384166040.db2.gz WKLODKWMHMDGGT-UHFFFAOYSA-N -1 3 237.299 2.216 20 0 BEADHM Cc1ccc(C(=O)NC[C@@H]2C[C@H]2C)c([O-])c1 ZINC000043115563 384263935 /nfs/dbraw/zinc/26/39/35/384263935.db2.gz LBWBRUAUYLSTLE-ZJUUUORDSA-N -1 3 219.284 2.086 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CCC(F)(F)C2)c1 ZINC000313330763 384267406 /nfs/dbraw/zinc/26/74/06/384267406.db2.gz YQQGMFAENKBOON-UHFFFAOYSA-N -1 3 241.237 2.182 20 0 BEADHM O=C(/C=C/c1cncc([O-])c1)N[C@@H]1C=CCCC1 ZINC000179543867 384304872 /nfs/dbraw/zinc/30/48/72/384304872.db2.gz YHRYARZGHIUVLA-NNNHXZLVSA-N -1 3 244.294 2.025 20 0 BEADHM CC(=O)[N-]OCc1ccccc1C(F)(F)F ZINC000119919252 384318089 /nfs/dbraw/zinc/31/80/89/384318089.db2.gz MBGTXUYRACDGPF-UHFFFAOYSA-N -1 3 233.189 2.273 20 0 BEADHM CC(C)CCCNC(=O)/C=C/c1cncc([O-])c1 ZINC000179418994 384288849 /nfs/dbraw/zinc/28/88/49/384288849.db2.gz DQTDIPYIGQVQMH-AATRIKPKSA-N -1 3 248.326 2.353 20 0 BEADHM CN(CCC(=O)[O-])Cc1ccc(Cl)c(F)c1 ZINC000083410316 384300645 /nfs/dbraw/zinc/30/06/45/384300645.db2.gz KZFYNCCGPKQSTG-UHFFFAOYSA-N -1 3 245.681 2.386 20 0 BEADHM COc1ccc([O-])c(C(=O)N(C)C2CCC2)c1 ZINC000135044709 384409468 /nfs/dbraw/zinc/40/94/68/384409468.db2.gz JDJZULLCJQYZJR-UHFFFAOYSA-N -1 3 235.283 2.025 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC[C@H](C)C[C@@H]2C)n1 ZINC000121406932 384415093 /nfs/dbraw/zinc/41/50/93/384415093.db2.gz BHFFTAJGOYJLOZ-QWRGUYRKSA-N -1 3 249.358 2.365 20 0 BEADHM C[C@H](NC(=O)c1ccccc1[O-])C(C)(F)F ZINC000335659555 384463869 /nfs/dbraw/zinc/46/38/69/384463869.db2.gz ZRPSUUURDWHWIW-ZETCQYMHSA-N -1 3 229.226 2.166 20 0 BEADHM C[C@@H](NC(=O)/C=C\c1cncc([O-])c1)C(C)(C)C ZINC000255337693 384486849 /nfs/dbraw/zinc/48/68/49/384486849.db2.gz IPSLCCXNZPQDTD-WWQCOOJYSA-N -1 3 248.326 2.351 20 0 BEADHM Cc1ccc(C(=O)NC2CC(C)C2)c([O-])c1 ZINC000080117492 384530934 /nfs/dbraw/zinc/53/09/34/384530934.db2.gz HUSSMLBYXKZPDW-UHFFFAOYSA-N -1 3 219.284 2.229 20 0 BEADHM O=C(C[C@H]1C=CCC1)N=c1cc2ccccn2[n-]1 ZINC000561147086 384532674 /nfs/dbraw/zinc/53/26/74/384532674.db2.gz JOSYUFMTPPVUOW-NSHDSACASA-N -1 3 241.294 2.051 20 0 BEADHM O=[S@](C[C@@H]1CCCCO1)c1cccc([O-])c1 ZINC000184067056 384559490 /nfs/dbraw/zinc/55/94/90/384559490.db2.gz LAQPERMIBFQRRH-MEDUHNTESA-N -1 3 240.324 2.069 20 0 BEADHM CC(C)C(=O)[N-]OCc1ccc(F)cc1 ZINC000184233065 384582349 /nfs/dbraw/zinc/58/23/49/384582349.db2.gz ITIAVQOBPJCIPQ-UHFFFAOYSA-N -1 3 211.236 2.030 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CC12CC2 ZINC000335174350 384612772 /nfs/dbraw/zinc/61/27/72/384612772.db2.gz QGNNOFFKAPRQJW-MRVPVSSYSA-N -1 3 221.231 2.270 20 0 BEADHM Cc1ccc2oc(C(=O)[N-]c3nc[nH]n3)cc2c1 ZINC000048733956 384674914 /nfs/dbraw/zinc/67/49/14/384674914.db2.gz ARRYNFNZHGWHTD-UHFFFAOYSA-N -1 3 242.238 2.112 20 0 BEADHM O=C(Nc1ccccc1[O-])c1cccc(O)c1 ZINC000082265486 384656116 /nfs/dbraw/zinc/65/61/16/384656116.db2.gz IGGBNFONEBFENZ-UHFFFAOYSA-N -1 3 229.235 2.350 20 0 BEADHM O=C(Nc1ccccc1O)c1cccc([O-])c1 ZINC000082265486 384656121 /nfs/dbraw/zinc/65/61/21/384656121.db2.gz IGGBNFONEBFENZ-UHFFFAOYSA-N -1 3 229.235 2.350 20 0 BEADHM CC[C@H](C)CNC(=O)c1ccc(C)cc1[O-] ZINC000054475152 384733069 /nfs/dbraw/zinc/73/30/69/384733069.db2.gz CEZGOOZJBJXURB-VIFPVBQESA-N -1 3 221.300 2.477 20 0 BEADHM CC[C@@H](C)CNC(=O)c1ccc(C)cc1[O-] ZINC000054475149 384733082 /nfs/dbraw/zinc/73/30/82/384733082.db2.gz CEZGOOZJBJXURB-SECBINFHSA-N -1 3 221.300 2.477 20 0 BEADHM CO[N-]C(=O)CCCOc1ccc(C)c(C)c1 ZINC000174067055 384751568 /nfs/dbraw/zinc/75/15/68/384751568.db2.gz YLCQFXSCMBYYTP-UHFFFAOYSA-N -1 3 237.299 2.140 20 0 BEADHM C[C@H](C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000175841070 384970689 /nfs/dbraw/zinc/97/06/89/384970689.db2.gz FBBVBRIYBKNDPO-QMMMGPOBSA-N -1 3 237.274 2.194 20 0 BEADHM CCCC[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000104732083 385021306 /nfs/dbraw/zinc/02/13/06/385021306.db2.gz HACNONZFHCQQIF-UHFFFAOYSA-N -1 3 245.319 2.213 20 0 BEADHM O=C([O-])[C@@H]1CC[C@H](NCc2ccc(Cl)o2)C1 ZINC000644597025 384994818 /nfs/dbraw/zinc/99/48/18/384994818.db2.gz RPPICBHTRCPKKF-SFYZADRCSA-N -1 3 243.690 2.276 20 0 BEADHM CCC(CC)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000255735661 384997308 /nfs/dbraw/zinc/99/73/08/384997308.db2.gz KSWUGDDITHARJH-WAYWQWQTSA-N -1 3 248.326 2.353 20 0 BEADHM CCC1(CNC(=O)c2cccc(OC)c2[O-])CC1 ZINC000176087884 385007164 /nfs/dbraw/zinc/00/71/64/385007164.db2.gz DCTSIQOFYBAPSZ-UHFFFAOYSA-N -1 3 249.310 2.321 20 0 BEADHM O=C(CC1CCCC1)N=c1cc2ccccn2[n-]1 ZINC000557530381 385008064 /nfs/dbraw/zinc/00/80/64/385008064.db2.gz MUAJZQONMUYJGO-UHFFFAOYSA-N -1 3 243.310 2.275 20 0 BEADHM CO[N-]C(=O)C1(Cc2ccccc2Cl)CC1 ZINC000188977628 385110197 /nfs/dbraw/zinc/11/01/97/385110197.db2.gz HKECCYVIECAVMV-UHFFFAOYSA-N -1 3 239.702 2.340 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CCC23CCC3)c1 ZINC000336339807 385122325 /nfs/dbraw/zinc/12/23/25/385122325.db2.gz HQERGARTNXSSJC-UHFFFAOYSA-N -1 3 231.295 2.469 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H](C)CC2)n1 ZINC000176828848 385151100 /nfs/dbraw/zinc/15/11/00/385151100.db2.gz LYXMTTDREWEWNH-LLVKDONJSA-N -1 3 249.358 2.367 20 0 BEADHM CCON=C([O-])N1c2ccccc2C[C@@H]1C ZINC000166518262 385249773 /nfs/dbraw/zinc/24/97/73/385249773.db2.gz TXXHKTVUWWZRNZ-VIFPVBQESA-N -1 3 220.272 2.099 20 0 BEADHM CCO[N-]C(=O)N1c2ccccc2C[C@@H]1C ZINC000166518262 385249782 /nfs/dbraw/zinc/24/97/82/385249782.db2.gz TXXHKTVUWWZRNZ-VIFPVBQESA-N -1 3 220.272 2.099 20 0 BEADHM CCO[N-]C(=O)C[C@H](C)c1cccc(OC)c1 ZINC000177580414 385262385 /nfs/dbraw/zinc/26/23/85/385262385.db2.gz KJUSVTPAMMKKLZ-JTQLQIEISA-N -1 3 237.299 2.257 20 0 BEADHM CO[N-]C(=O)CC/C=C/c1ccccc1 ZINC000155610073 385399546 /nfs/dbraw/zinc/39/95/46/385399546.db2.gz OKORPUZXKKOMAP-WEVVVXLNSA-N -1 3 205.257 2.158 20 0 BEADHM CC[C@@H](C)[N-]S(=O)(=O)c1cccc(C)c1F ZINC000181169253 385401561 /nfs/dbraw/zinc/40/15/61/385401561.db2.gz BKAZDGMKTGWTJU-SECBINFHSA-N -1 3 245.319 2.211 20 0 BEADHM CC(C)N(C(=O)/C=C/c1cncc([O-])c1)C1CC1 ZINC000181975300 385449605 /nfs/dbraw/zinc/44/96/05/385449605.db2.gz WWNNQEOWANYMKY-ZZXKWVIFSA-N -1 3 246.310 2.200 20 0 BEADHM O=C([O-])CCCCN1CCc2sccc2C1 ZINC000020474625 385471149 /nfs/dbraw/zinc/47/11/49/385471149.db2.gz IZQVUZUGEOKBOL-UHFFFAOYSA-N -1 3 239.340 2.361 20 0 BEADHM O=C([O-])[C@@H]1CCN(Cc2sccc2Cl)C1 ZINC000257680986 385487000 /nfs/dbraw/zinc/48/70/00/385487000.db2.gz PTGHTGDDRXHNCQ-SSDOTTSWSA-N -1 3 245.731 2.308 20 0 BEADHM CO[N-]C(=O)[C@@H](C)CCCc1ccccc1 ZINC000179721753 385487264 /nfs/dbraw/zinc/48/72/64/385487264.db2.gz GEUJPMXOWNOSBF-NSHDSACASA-N -1 3 221.300 2.323 20 0 BEADHM COc1ccc(NC(=O)[C@@H]2CC23CC3)c([O-])c1 ZINC000643351060 385463079 /nfs/dbraw/zinc/46/30/79/385463079.db2.gz FUIABMRSEVITRM-VIFPVBQESA-N -1 3 233.267 2.139 20 0 BEADHM CC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000362250614 385464394 /nfs/dbraw/zinc/46/43/94/385464394.db2.gz MVYUVEWPMPGVFA-UHFFFAOYSA-N -1 3 242.238 2.176 20 0 BEADHM CC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000362250614 385464395 /nfs/dbraw/zinc/46/43/95/385464395.db2.gz MVYUVEWPMPGVFA-UHFFFAOYSA-N -1 3 242.238 2.176 20 0 BEADHM CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362250614 385464397 /nfs/dbraw/zinc/46/43/97/385464397.db2.gz MVYUVEWPMPGVFA-UHFFFAOYSA-N -1 3 242.238 2.176 20 0 BEADHM CC(C)C[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000157560641 385507675 /nfs/dbraw/zinc/50/76/75/385507675.db2.gz ZQOMZMZAZOVMPE-VIFPVBQESA-N -1 3 247.385 2.461 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(C)c(C)c1 ZINC000158085019 385547647 /nfs/dbraw/zinc/54/76/47/385547647.db2.gz QIASJYGZOQGXKW-UHFFFAOYSA-N -1 3 208.261 2.376 20 0 BEADHM CCCn1c(=O)[n-]nc1SC1CCCC1 ZINC000408161659 385580679 /nfs/dbraw/zinc/58/06/79/385580679.db2.gz ORUPMPOFWMMXGC-UHFFFAOYSA-N -1 3 227.333 2.428 20 0 BEADHM Cc1ccnc([N-]C(=O)c2cc(C(C)C)no2)n1 ZINC000280986111 385626455 /nfs/dbraw/zinc/62/64/55/385626455.db2.gz MFQCTMBXDSWGBX-UHFFFAOYSA-N -1 3 246.270 2.149 20 0 BEADHM CCO[N-]C(=O)Cc1ccc(CC(C)C)cc1 ZINC000253488720 385678966 /nfs/dbraw/zinc/67/89/66/385678966.db2.gz BPECJAGPXRUDHB-UHFFFAOYSA-N -1 3 235.327 2.495 20 0 BEADHM C[C@@H](CC(=O)[O-])NCc1c(F)cccc1Cl ZINC000309525452 385667979 /nfs/dbraw/zinc/66/79/79/385667979.db2.gz AXSCSNXWDZIXMN-ZETCQYMHSA-N -1 3 245.681 2.432 20 0 BEADHM C[C@H](C(=O)[O-])N1CCC[C@@H]1c1ccsc1 ZINC000116351650 385730097 /nfs/dbraw/zinc/73/00/97/385730097.db2.gz IHYYRFJOAMMDOR-PSASIEDQSA-N -1 3 225.313 2.358 20 0 BEADHM CCc1cc(=O)[n-]c(CN[C@@H](C)[C@H](C)CC)n1 ZINC000183054300 385731991 /nfs/dbraw/zinc/73/19/91/385731991.db2.gz UMICCNHJFGTKCW-ZJUUUORDSA-N -1 3 237.347 2.269 20 0 BEADHM C[C@@H]1[C@H](C)OCCN1Cc1cc([O-])cc(F)c1 ZINC000186228515 385749681 /nfs/dbraw/zinc/74/96/81/385749681.db2.gz ZYDWMAAZZAFEGM-ZJUUUORDSA-N -1 3 239.290 2.141 20 0 BEADHM COC(C)(C)c1nc(-c2ccc([O-])cc2)no1 ZINC000230939118 385769771 /nfs/dbraw/zinc/76/97/71/385769771.db2.gz CXSDYZOXVSBLRD-UHFFFAOYSA-N -1 3 234.255 2.324 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(F)cc1OCC ZINC000182936276 385723505 /nfs/dbraw/zinc/72/35/05/385723505.db2.gz RWWISIBJVHAQRZ-UHFFFAOYSA-N -1 3 242.250 2.297 20 0 BEADHM Cc1cc(C(=O)N2CCC[C@H]2CF)ccc1[O-] ZINC000294199790 385822067 /nfs/dbraw/zinc/82/20/67/385822067.db2.gz UWRUMCJIFFYJJM-NSHDSACASA-N -1 3 237.274 2.275 20 0 BEADHM C[C@H]1COc2ccccc2CN1CCCC(=O)[O-] ZINC000262299054 385842254 /nfs/dbraw/zinc/84/22/54/385842254.db2.gz ZFZVHOVNDMYMRL-NSHDSACASA-N -1 3 249.310 2.134 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2CF)c1 ZINC000294025912 385789701 /nfs/dbraw/zinc/78/97/01/385789701.db2.gz JRIKFYVXFWAKQI-SNVBAGLBSA-N -1 3 237.274 2.275 20 0 BEADHM Cc1cc(C(=O)N[C@@H](C)C(F)(F)F)ccc1[O-] ZINC000291889605 385792807 /nfs/dbraw/zinc/79/28/07/385792807.db2.gz YHERIJIXENHGDI-ZETCQYMHSA-N -1 3 247.216 2.381 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000272108676 385874963 /nfs/dbraw/zinc/87/49/63/385874963.db2.gz QYUJVNABLXULHW-WDEREUQCSA-N -1 3 249.310 2.454 20 0 BEADHM CS[C@@H]1CCN(Cc2cc([O-])cc(F)c2)C1 ZINC000294992922 385936708 /nfs/dbraw/zinc/93/67/08/385936708.db2.gz HSQJVIZGFZIJAA-GFCCVEGCSA-N -1 3 241.331 2.469 20 0 BEADHM CCN(C)Cc1c(F)ccc([O-])c1F ZINC000295057078 385954279 /nfs/dbraw/zinc/95/42/79/385954279.db2.gz ZOUIVUXHMZXSGP-UHFFFAOYSA-N -1 3 201.216 2.122 20 0 BEADHM CCS(=O)(=O)[N-]c1ccc(C2CCC2)cn1 ZINC000295212836 385993940 /nfs/dbraw/zinc/99/39/40/385993940.db2.gz PQPQVGOIKNKQHI-UHFFFAOYSA-N -1 3 240.328 2.111 20 0 BEADHM FC(F)c1nnc([N-]Cc2cncs2)o1 ZINC000189297636 385972889 /nfs/dbraw/zinc/97/28/89/385972889.db2.gz VNCCOAVEANLHMP-UHFFFAOYSA-N -1 3 232.215 2.076 20 0 BEADHM CC(C)N(Cc1cc([O-])cc(F)c1)C1COC1 ZINC000295976420 386117628 /nfs/dbraw/zinc/11/76/28/386117628.db2.gz JCBNGHINIMIBAV-UHFFFAOYSA-N -1 3 239.290 2.141 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2CC(C3CC3)C2)c1 ZINC000643290552 386062357 /nfs/dbraw/zinc/06/23/57/386062357.db2.gz PQVKDOPNICWPMF-UHFFFAOYSA-N -1 3 245.322 2.437 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC(C)=C[C@H](C)C2)n1 ZINC000430272852 386064839 /nfs/dbraw/zinc/06/48/39/386064839.db2.gz CDFHJTKZLRIMFL-JOYOIKCWSA-N -1 3 247.342 2.450 20 0 BEADHM Cc1ccc(C(=O)NOC(C)C)c([O-])c1C ZINC000295771816 386084114 /nfs/dbraw/zinc/08/41/14/386084114.db2.gz WYIHMYUJQDRIKK-UHFFFAOYSA-N -1 3 223.272 2.079 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000428090734 386190897 /nfs/dbraw/zinc/19/08/97/386190897.db2.gz KIHQPZYQXKWVKU-YABSGUDNSA-N -1 3 245.322 2.483 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2C[C@@H]3C[C@H]2CS3)c1 ZINC000335131847 386131320 /nfs/dbraw/zinc/13/13/20/386131320.db2.gz ZOTIXJUROVVGIU-UWVGGRQHSA-N -1 3 249.335 2.031 20 0 BEADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c([O-])c1 ZINC000397847233 386211129 /nfs/dbraw/zinc/21/11/29/386211129.db2.gz QVGFTJVKYHQABF-JGPRNRPPSA-N -1 3 231.295 2.229 20 0 BEADHM Cc1cccc(C(=O)NC[C@H]2CC23CC3)c1[O-] ZINC000416067175 386211532 /nfs/dbraw/zinc/21/15/32/386211532.db2.gz UVVLHRMVDVDUBH-SNVBAGLBSA-N -1 3 231.295 2.231 20 0 BEADHM CC/C=C/CNC(=O)c1ccc([O-])c(OC)c1 ZINC000296971803 386215657 /nfs/dbraw/zinc/21/56/57/386215657.db2.gz PYGRLBHPKYKSGE-SNAWJCMRSA-N -1 3 235.283 2.097 20 0 BEADHM CC(F)(F)C(=O)[N-][C@H]1CCCc2occc21 ZINC000288622534 386222631 /nfs/dbraw/zinc/22/26/31/386222631.db2.gz RUPUTRXXPHQRJP-QMMMGPOBSA-N -1 3 229.226 2.428 20 0 BEADHM CCO[N-]C(=O)C1(Cc2ccc(F)cc2)CC1 ZINC000275740963 386235167 /nfs/dbraw/zinc/23/51/67/386235167.db2.gz QWCGJDKDAVQUCB-UHFFFAOYSA-N -1 3 237.274 2.216 20 0 BEADHM CCc1cc(C(=O)NC[C@@H]2CC23CC3)ccc1[O-] ZINC000416258021 386247786 /nfs/dbraw/zinc/24/77/86/386247786.db2.gz NEOWTZIORRULLS-LBPRGKRZSA-N -1 3 245.322 2.485 20 0 BEADHM CCC[C@@H]1C[C@H]1NC(=O)c1ccc([O-])c(OC)c1 ZINC000275978210 386258189 /nfs/dbraw/zinc/25/81/89/386258189.db2.gz KUIUFKKCWOVJNA-MWLCHTKSSA-N -1 3 249.310 2.319 20 0 BEADHM C[C@H]1CC(C)(C)CN1C(=O)c1ccc(O)cc1[O-] ZINC000335264566 386296443 /nfs/dbraw/zinc/29/64/43/386296443.db2.gz MYRLVMCQPZEQQD-VIFPVBQESA-N -1 3 249.310 2.358 20 0 BEADHM C[C@@H]1CC(C)(C)CN1C(=O)c1csc(=O)[n-]1 ZINC000335264519 386297064 /nfs/dbraw/zinc/29/70/64/386297064.db2.gz LEXCIPIWCSYDRZ-SSDOTTSWSA-N -1 3 240.328 2.109 20 0 BEADHM CO[C@H](C(=O)Nc1c(C)cccc1[O-])C1CC1 ZINC000298118176 386300612 /nfs/dbraw/zinc/30/06/12/386300612.db2.gz APWILJKZDWKTSG-LBPRGKRZSA-N -1 3 235.283 2.064 20 0 BEADHM COC[C@H](C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000340315943 386305711 /nfs/dbraw/zinc/30/57/11/386305711.db2.gz RSWNPWGVLYUAQL-MRVPVSSYSA-N -1 3 241.262 2.142 20 0 BEADHM CCc1ccc(C(=O)NC2CCC2)c([O-])c1 ZINC000276361239 386309761 /nfs/dbraw/zinc/30/97/61/386309761.db2.gz MZIWWOMKGFKWAK-UHFFFAOYSA-N -1 3 219.284 2.237 20 0 BEADHM O=C(/C=C/c1ccc[nH]1)[N-]OCCC(F)(F)F ZINC000276025502 386263350 /nfs/dbraw/zinc/26/33/50/386263350.db2.gz RCOOVVFLLZYQPC-ONEGZZNKSA-N -1 3 248.204 2.028 20 0 BEADHM COc1cc(C(=O)N(C)C2CCCC2)ccc1[O-] ZINC000276070303 386268760 /nfs/dbraw/zinc/26/87/60/386268760.db2.gz FMMCJOBZAFVYOI-UHFFFAOYSA-N -1 3 249.310 2.415 20 0 BEADHM CCC[C@H](N)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000236933213 386329179 /nfs/dbraw/zinc/32/91/79/386329179.db2.gz VAHFCMONZZKVBQ-QMMMGPOBSA-N -1 3 242.706 2.112 20 0 BEADHM Cc1cc(C(=O)NC2(C)CCC2)ccc1[O-] ZINC000227042211 386450919 /nfs/dbraw/zinc/45/09/19/386450919.db2.gz AADGMHSKYDUUQX-UHFFFAOYSA-N -1 3 219.284 2.373 20 0 BEADHM CO[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000266114698 386400083 /nfs/dbraw/zinc/40/00/83/386400083.db2.gz SOOCMRFMHIAGII-AAEUAGOBSA-N -1 3 249.310 2.080 20 0 BEADHM CC(F)(F)CC(=O)NCc1ccc([O-])c(F)c1 ZINC000277048039 386402874 /nfs/dbraw/zinc/40/28/74/386402874.db2.gz ARROCKXRZPQQII-UHFFFAOYSA-N -1 3 247.216 2.193 20 0 BEADHM CC(C)c1noc([N-][C@H](C)c2cnn(C)c2)n1 ZINC000266247321 386417121 /nfs/dbraw/zinc/41/71/21/386417121.db2.gz MJWIEZIWEDOZFP-MRVPVSSYSA-N -1 3 235.291 2.100 20 0 BEADHM COc1ccc(C(=O)NCC=C(C)C)c([O-])c1 ZINC000191836201 386470329 /nfs/dbraw/zinc/47/03/29/386470329.db2.gz HGFIUDCAIVSVHJ-UHFFFAOYSA-N -1 3 235.283 2.097 20 0 BEADHM CS(=O)(=O)[N-]c1cnccc1-c1ccccc1 ZINC000335439521 386496317 /nfs/dbraw/zinc/49/63/17/386496317.db2.gz DNFVYPOBUISVSG-UHFFFAOYSA-N -1 3 248.307 2.120 20 0 BEADHM CCC1(C(=O)[N-]OCc2ccccc2)CC1 ZINC000267197321 386509371 /nfs/dbraw/zinc/50/93/71/386509371.db2.gz MSDSHRLIFBEKGT-UHFFFAOYSA-N -1 3 219.284 2.425 20 0 BEADHM CSc1nnc(NC(=O)CCC2CCC2)[n-]1 ZINC000267263821 386519396 /nfs/dbraw/zinc/51/93/96/386519396.db2.gz OVVUGOWYONHKOZ-UHFFFAOYSA-N -1 3 240.332 2.045 20 0 BEADHM CSc1n[n-]c(NC(=O)CCC2CCC2)n1 ZINC000267263821 386519401 /nfs/dbraw/zinc/51/94/01/386519401.db2.gz OVVUGOWYONHKOZ-UHFFFAOYSA-N -1 3 240.332 2.045 20 0 BEADHM CSc1nc(NC(=O)CCC2CCC2)n[n-]1 ZINC000267263821 386519407 /nfs/dbraw/zinc/51/94/07/386519407.db2.gz OVVUGOWYONHKOZ-UHFFFAOYSA-N -1 3 240.332 2.045 20 0 BEADHM CC1(C(=O)[N-]OCc2ccccc2)CCC1 ZINC000267325530 386528239 /nfs/dbraw/zinc/52/82/39/386528239.db2.gz DSBFCOOHTUWDHK-UHFFFAOYSA-N -1 3 219.284 2.425 20 0 BEADHM CSCCCCC(=O)[N-]OC/C=C/Cl ZINC000291861501 386594118 /nfs/dbraw/zinc/59/41/18/386594118.db2.gz OTXKWMBQSOISKX-GQCTYLIASA-N -1 3 237.752 2.320 20 0 BEADHM O=C(CCc1cccs1)[N-]OC/C=C/Cl ZINC000291431183 386546127 /nfs/dbraw/zinc/54/61/27/386546127.db2.gz AINMHNBOYBHFHZ-QHHAFSJGSA-N -1 3 245.731 2.481 20 0 BEADHM CCc1cc(C(=O)N[C@@H]2C[C@H]2C)ccc1[O-] ZINC000291589863 386559027 /nfs/dbraw/zinc/55/90/27/386559027.db2.gz VXMSHBYXPOISEU-LDYMZIIASA-N -1 3 219.284 2.093 20 0 BEADHM CCCCN(C)C(=O)c1ccc([O-])c(OC)c1 ZINC000268112454 386622687 /nfs/dbraw/zinc/62/26/87/386622687.db2.gz ZKXSUZJFZDPQCQ-UHFFFAOYSA-N -1 3 237.299 2.273 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](C)C[C@H]2C)n1 ZINC000268175512 386627563 /nfs/dbraw/zinc/62/75/63/386627563.db2.gz BHFFTAJGOYJLOZ-GHMZBOCLSA-N -1 3 249.358 2.365 20 0 BEADHM Cc1ccc(NC(=O)[N-]OCC2CC2)cc1 ZINC000292294042 386646243 /nfs/dbraw/zinc/64/62/43/386646243.db2.gz JTMSWEHJDMSIMO-UHFFFAOYSA-N -1 3 220.272 2.458 20 0 BEADHM CN(C(=O)Cc1ccc([O-])c(F)c1)C(C)(C)C ZINC000335515477 386652294 /nfs/dbraw/zinc/65/22/94/386652294.db2.gz XCQHHQUEFJUVLY-UHFFFAOYSA-N -1 3 239.290 2.331 20 0 BEADHM COC(=O)c1ccc(-c2nc(C(C)(C)C)no2)[n-]1 ZINC000291962413 386605029 /nfs/dbraw/zinc/60/50/29/386605029.db2.gz RZVJHGOGIPVKIA-UHFFFAOYSA-N -1 3 249.270 2.149 20 0 BEADHM C[C@H](CCCO)NCc1cccc([O-])c1Cl ZINC000293694116 386669561 /nfs/dbraw/zinc/66/95/61/386669561.db2.gz WNBUXKSUUARCKS-SECBINFHSA-N -1 3 243.734 2.296 20 0 BEADHM CC(C)=CCNc1ccncc1C(=O)[O-] ZINC000229160231 386677534 /nfs/dbraw/zinc/67/75/34/386677534.db2.gz AGNBYLZFTCENTR-UHFFFAOYSA-N -1 3 206.245 2.158 20 0 BEADHM O=C([O-])C1(NCc2coc3ccccc23)CC1 ZINC000340687683 386696428 /nfs/dbraw/zinc/69/64/28/386696428.db2.gz YWUGDMRBENLUCW-UHFFFAOYSA-N -1 3 231.251 2.140 20 0 BEADHM Cn1cc([N-]c2nc3cc(F)ccc3o2)cn1 ZINC000114447969 386753424 /nfs/dbraw/zinc/75/34/24/386753424.db2.gz KAJKFQFILARHQM-UHFFFAOYSA-N -1 3 232.218 2.444 20 0 BEADHM CSCCO[N-]C(=O)CCc1cccs1 ZINC000279987269 386766062 /nfs/dbraw/zinc/76/60/62/386766062.db2.gz LMKKOOJAGAMLNA-UHFFFAOYSA-N -1 3 245.369 2.092 20 0 BEADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000192899703 386773050 /nfs/dbraw/zinc/77/30/50/386773050.db2.gz MBLRQEKHHLSHLH-SKDRFNHKSA-N -1 3 249.310 2.406 20 0 BEADHM COc1cc(C(=O)NCCC2(C)CC2)ccc1[O-] ZINC000280163424 386785477 /nfs/dbraw/zinc/78/54/77/386785477.db2.gz UVYXKTSKAJIQQX-UHFFFAOYSA-N -1 3 249.310 2.321 20 0 BEADHM CO[C@@H](C)CNCc1cccc([O-])c1Cl ZINC000293303920 386811463 /nfs/dbraw/zinc/81/14/63/386811463.db2.gz PTMHMWGNAHCVCW-QMMMGPOBSA-N -1 3 229.707 2.170 20 0 BEADHM CSCCON=C([O-])Nc1ccccc1 ZINC000280591133 386824591 /nfs/dbraw/zinc/82/45/91/386824591.db2.gz SZNDESBMTDKCPP-UHFFFAOYSA-N -1 3 226.301 2.103 20 0 BEADHM CSCCO[N-]C(=O)Nc1ccccc1 ZINC000280591133 386824595 /nfs/dbraw/zinc/82/45/95/386824595.db2.gz SZNDESBMTDKCPP-UHFFFAOYSA-N -1 3 226.301 2.103 20 0 BEADHM C[C@H](CC(C)(C)C)C(=O)Nc1ccncc1[O-] ZINC000357675241 386825499 /nfs/dbraw/zinc/82/54/99/386825499.db2.gz PWSZDKOXCQVGRX-SECBINFHSA-N -1 3 236.315 2.220 20 0 BEADHM CC(=O)c1cccc(NC(=O)c2ccoc2)c1[O-] ZINC000336512443 386832565 /nfs/dbraw/zinc/83/25/65/386832565.db2.gz WJIKTDJUJVGTTB-UHFFFAOYSA-N -1 3 245.234 2.440 20 0 BEADHM O=[S@@](CCC1CC1)c1cccc([O-])c1 ZINC000358112790 386892643 /nfs/dbraw/zinc/89/26/43/386892643.db2.gz BUNAPDPCGLZQMW-AWEZNQCLSA-N -1 3 210.298 2.300 20 0 BEADHM CCCn1c(=O)[n-]nc1SCC1CCC1 ZINC000331754314 386893550 /nfs/dbraw/zinc/89/35/50/386893550.db2.gz HCGYZYUOEOCILA-UHFFFAOYSA-N -1 3 227.333 2.286 20 0 BEADHM CC[C@@H](C)CONC(=O)c1ccc(C)cc1[O-] ZINC000293698151 386863964 /nfs/dbraw/zinc/86/39/64/386863964.db2.gz KUDULWGJWWIHKG-SECBINFHSA-N -1 3 237.299 2.408 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](F)C2)c1 ZINC000334839958 386884202 /nfs/dbraw/zinc/88/42/02/386884202.db2.gz JSQOVNXTCYKNCG-JTQLQIEISA-N -1 3 237.274 2.139 20 0 BEADHM CC1(C)CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000335762865 386902313 /nfs/dbraw/zinc/90/23/13/386902313.db2.gz DEQRBKVAQWTVPE-UHFFFAOYSA-N -1 3 240.328 2.111 20 0 BEADHM O=C(Nc1ncccc1[O-])[C@H]1CCC(F)(F)C1 ZINC000334870892 386930720 /nfs/dbraw/zinc/93/07/20/386930720.db2.gz DFIKJPATHXQGSY-ZETCQYMHSA-N -1 3 242.225 2.161 20 0 BEADHM C[C@H](C(=O)NCc1ncccc1[O-])C(C)(C)C ZINC000331028227 386936989 /nfs/dbraw/zinc/93/69/89/386936989.db2.gz WOUHEIDIGRHNMM-SECBINFHSA-N -1 3 236.315 2.086 20 0 BEADHM CO[C@@H](C(=O)Nc1ccccc1[O-])C(C)C ZINC000352989359 386984965 /nfs/dbraw/zinc/98/49/65/386984965.db2.gz MKJZYBCOLBXMGW-LLVKDONJSA-N -1 3 223.272 2.002 20 0 BEADHM CCC1(NC(=O)c2csc(=O)[n-]2)CCCC1 ZINC000333379462 387031090 /nfs/dbraw/zinc/03/10/90/387031090.db2.gz AQKKNVTUZPXCBU-UHFFFAOYSA-N -1 3 240.328 2.301 20 0 BEADHM CC[C@H](NC(=O)c1ccccc1[O-])[C@H]1CCCO1 ZINC000126181665 387023901 /nfs/dbraw/zinc/02/39/01/387023901.db2.gz DPSDXGFWJXJLKR-WCQYABFASA-N -1 3 249.310 2.080 20 0 BEADHM Cc1cc(C)c(C(=O)N=c2[n-]oc(C)c2C)o1 ZINC000334883071 387025481 /nfs/dbraw/zinc/02/54/81/387025481.db2.gz ORKBLPMRONBJAU-UHFFFAOYSA-N -1 3 234.255 2.175 20 0 BEADHM CC(C)[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000228296722 387085582 /nfs/dbraw/zinc/08/55/82/387085582.db2.gz LSOXXDXBRGLVKU-SNVBAGLBSA-N -1 3 249.310 2.216 20 0 BEADHM Cc1ccc(C(=O)NCc2ccncc2)c([O-])c1 ZINC000020546421 387107226 /nfs/dbraw/zinc/10/72/26/387107226.db2.gz KWBNTJORTJFDON-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1C1CC1 ZINC000370365820 387111576 /nfs/dbraw/zinc/11/15/76/387111576.db2.gz MXBUCVAQOKBWHZ-CYBMUJFWSA-N -1 3 231.295 2.407 20 0 BEADHM CSCCN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000161231744 387158106 /nfs/dbraw/zinc/15/81/06/387158106.db2.gz YZSUVADTEUMKIP-UHFFFAOYSA-N -1 3 239.340 2.180 20 0 BEADHM CCC[C@@H]1C[C@H]1C(=O)N=c1[nH][n-]c(CC)c1C ZINC000360197332 387240556 /nfs/dbraw/zinc/24/05/56/387240556.db2.gz FKWPYMBKFICROQ-NXEZZACHSA-N -1 3 235.331 2.077 20 0 BEADHM O=S(=O)([N-][C@H]1C=CCCC1)c1cccs1 ZINC000336477438 387304792 /nfs/dbraw/zinc/30/47/92/387304792.db2.gz ADGOBWMDXXZPOO-VIFPVBQESA-N -1 3 243.353 2.135 20 0 BEADHM CO[C@@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC000373286959 387355546 /nfs/dbraw/zinc/35/55/46/387355546.db2.gz HVPYTTSDIOJWFQ-LLVKDONJSA-N -1 3 249.310 2.033 20 0 BEADHM O=C(c1csc(=O)[n-]1)N1Cc2ccccc2C1 ZINC000336510765 387334174 /nfs/dbraw/zinc/33/41/74/387334174.db2.gz JCZVRGZUFOJTOV-UHFFFAOYSA-N -1 3 246.291 2.005 20 0 BEADHM CCc1ccc([O-])c(C(=O)NCC2(C)CC2)c1 ZINC000354749974 387428048 /nfs/dbraw/zinc/42/80/48/387428048.db2.gz UHTOZWGCXJOXRZ-UHFFFAOYSA-N -1 3 233.311 2.485 20 0 BEADHM CC[C@@H](C)[C@H](OC)C(=O)Nc1ccccc1[O-] ZINC000354823823 387434275 /nfs/dbraw/zinc/43/42/75/387434275.db2.gz YCEBIUCSBMTATM-SKDRFNHKSA-N -1 3 237.299 2.392 20 0 BEADHM COC[C@@H](C)CC(=O)Nc1c(C)cccc1[O-] ZINC000352684296 387434363 /nfs/dbraw/zinc/43/43/63/387434363.db2.gz KPGKVPPUOYAUMG-VIFPVBQESA-N -1 3 237.299 2.312 20 0 BEADHM COc1cc(C(=O)N2[C@@H](C)C[C@@H]2C)ccc1[O-] ZINC000336606466 387449429 /nfs/dbraw/zinc/44/94/29/387449429.db2.gz RZVPYBXPQQLPLF-IUCAKERBSA-N -1 3 235.283 2.024 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]2C)c1 ZINC000515490898 387389077 /nfs/dbraw/zinc/38/90/77/387389077.db2.gz VCMSMANIYXZJNV-JOYOIKCWSA-N -1 3 233.311 2.483 20 0 BEADHM Cc1conc1[N-]C(=O)c1scnc1C ZINC000124026821 387602636 /nfs/dbraw/zinc/60/26/36/387602636.db2.gz DOCPXDXCJIGOTK-UHFFFAOYSA-N -1 3 223.257 2.000 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC(C)=C[C@@H](C)C2)n1 ZINC000430272850 387606140 /nfs/dbraw/zinc/60/61/40/387606140.db2.gz CDFHJTKZLRIMFL-BXKDBHETSA-N -1 3 247.342 2.450 20 0 BEADHM CCc1ccc(CC)c(NC(=O)c2cnn[n-]2)c1 ZINC000362535135 387626959 /nfs/dbraw/zinc/62/69/59/387626959.db2.gz PZHVUJJNVBDGLY-UHFFFAOYSA-N -1 3 244.298 2.182 20 0 BEADHM CCc1ccc(CC)c(NC(=O)c2c[n-]nn2)c1 ZINC000362535135 387626964 /nfs/dbraw/zinc/62/69/64/387626964.db2.gz PZHVUJJNVBDGLY-UHFFFAOYSA-N -1 3 244.298 2.182 20 0 BEADHM CCc1ccc(CC)c(NC(=O)c2cn[n-]n2)c1 ZINC000362535135 387626968 /nfs/dbraw/zinc/62/69/68/387626968.db2.gz PZHVUJJNVBDGLY-UHFFFAOYSA-N -1 3 244.298 2.182 20 0 BEADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000397220330 387551737 /nfs/dbraw/zinc/55/17/37/387551737.db2.gz FHRVODLDDGDDBO-GXTWGEPZSA-N -1 3 249.310 2.262 20 0 BEADHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1c([O-])cccc1O ZINC000399524116 387553435 /nfs/dbraw/zinc/55/34/35/387553435.db2.gz DQCNYBAHMDYVMM-KXUCPTDWSA-N -1 3 249.310 2.214 20 0 BEADHM O=C(Nc1ncccc1[O-])c1cccc(F)c1 ZINC000036619896 387555430 /nfs/dbraw/zinc/55/54/30/387555430.db2.gz XSRQFGRLWYWSPY-UHFFFAOYSA-N -1 3 232.214 2.179 20 0 BEADHM CCn1cc(NC(=O)c2cccc(C)c2[O-])cn1 ZINC000035238768 387560469 /nfs/dbraw/zinc/56/04/69/387560469.db2.gz KUMBRXQBZVQNSJ-UHFFFAOYSA-N -1 3 245.282 2.169 20 0 BEADHM Cc1ccc(C(=O)[N-]c2nc(C)no2)s1 ZINC000042702690 387636892 /nfs/dbraw/zinc/63/68/92/387636892.db2.gz DWCRMISIBWDWCU-UHFFFAOYSA-N -1 3 223.257 2.000 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@H](C)[C@@H](C)CC)c1C ZINC000356543247 387672169 /nfs/dbraw/zinc/67/21/69/387672169.db2.gz CDNYANZFAXLGSW-DTWKUNHWSA-N -1 3 237.347 2.323 20 0 BEADHM Cc1ccc([O-])c(CNCc2cccnc2C)n1 ZINC000527793511 387720459 /nfs/dbraw/zinc/72/04/59/387720459.db2.gz KDBOMKDUGCEJIA-UHFFFAOYSA-N -1 3 243.310 2.089 20 0 BEADHM CCC[C@@]1(NC(=O)c2cccc([O-])c2)CCOC1 ZINC000288011935 387727218 /nfs/dbraw/zinc/72/72/18/387727218.db2.gz WAZYBBPSVOILAN-CQSZACIVSA-N -1 3 249.310 2.081 20 0 BEADHM CCC[C@]1(NC(=O)c2cccc([O-])c2)CCOC1 ZINC000288011933 387728282 /nfs/dbraw/zinc/72/82/82/387728282.db2.gz WAZYBBPSVOILAN-AWEZNQCLSA-N -1 3 249.310 2.081 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC3CCC2CC3)n1 ZINC000378377172 387782349 /nfs/dbraw/zinc/78/23/49/387782349.db2.gz BAWQJKGPLHPTMZ-UHFFFAOYSA-N -1 3 247.342 2.119 20 0 BEADHM CCc1cccc(C(=O)N2CC(CC)C2)c1[O-] ZINC000564050878 387812859 /nfs/dbraw/zinc/81/28/59/387812859.db2.gz VYODDJVCMROVMT-UHFFFAOYSA-N -1 3 233.311 2.437 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC[C@H](C)[C@@H](C)C2)n1 ZINC000245952133 387995025 /nfs/dbraw/zinc/99/50/25/387995025.db2.gz SPQZCGMVTNHRQK-QWRGUYRKSA-N -1 3 249.358 2.223 20 0 BEADHM Cc1ccc(Cl)cc1NC(=O)c1nc[n-]n1 ZINC000082324829 388030527 /nfs/dbraw/zinc/03/05/27/388030527.db2.gz MPNSZQMCPKJYLH-UHFFFAOYSA-N -1 3 236.662 2.019 20 0 BEADHM O=C(NC[C@@H]1CC=CCC1)c1ccc(O)cc1[O-] ZINC000195045413 388084560 /nfs/dbraw/zinc/08/45/60/388084560.db2.gz QUZPBEVKJLAJHD-SNVBAGLBSA-N -1 3 247.294 2.184 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)c1ccncc1 ZINC000085203715 388085344 /nfs/dbraw/zinc/08/53/44/388085344.db2.gz CZMBGNYUUPTJRJ-UHFFFAOYSA-N -1 3 232.214 2.179 20 0 BEADHM O=C(Cc1cccnc1)Nc1ccc([O-])cc1F ZINC000085203856 388085426 /nfs/dbraw/zinc/08/54/26/388085426.db2.gz NUBSRZFNGATJFD-UHFFFAOYSA-N -1 3 246.241 2.108 20 0 BEADHM CC[C@@H](C)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448843546 388115323 /nfs/dbraw/zinc/11/53/23/388115323.db2.gz FHRKOXMHZMLQME-SECBINFHSA-N -1 3 239.290 2.331 20 0 BEADHM O=C(c1ccccc1[O-])N1CC[C@@H]1C(F)(F)F ZINC000646283042 388175913 /nfs/dbraw/zinc/17/59/13/388175913.db2.gz BAQROYFRWYUWIW-SECBINFHSA-N -1 3 245.200 2.169 20 0 BEADHM CCO[N-]C(=O)/C=C\c1c(F)cccc1F ZINC000491322945 388285019 /nfs/dbraw/zinc/28/50/19/388285019.db2.gz XITRXXDZLLLGER-SREVYHEPSA-N -1 3 227.210 2.046 20 0 BEADHM CC1(CCNC(=O)/C=C\c2cncc([O-])c2)CC1 ZINC000491985109 388330605 /nfs/dbraw/zinc/33/06/05/388330605.db2.gz SZEAJVFLTFRPER-IHWYPQMZSA-N -1 3 246.310 2.107 20 0 BEADHM CC[C@H]1CCC[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000451345309 388264365 /nfs/dbraw/zinc/26/43/65/388264365.db2.gz ROMSBVFFJWRMMW-QWRGUYRKSA-N -1 3 248.326 2.230 20 0 BEADHM CC(C)=CC[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451453101 388275104 /nfs/dbraw/zinc/27/51/04/388275104.db2.gz GTBZRRDMRHHLRG-UHFFFAOYSA-N -1 3 245.369 2.301 20 0 BEADHM CC[C@H](C)[C@H](C)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492393583 388343463 /nfs/dbraw/zinc/34/34/63/388343463.db2.gz DSCOJGXMZHLCLU-OBOPVNRVSA-N -1 3 248.326 2.351 20 0 BEADHM CC(C)[C@H](C)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000492398972 388343591 /nfs/dbraw/zinc/34/35/91/388343591.db2.gz MVBWYNNDHLIEOP-DOGVGXBMSA-N -1 3 248.326 2.209 20 0 BEADHM Cc1cccc([O-])c1C(=O)NCC(C)(F)F ZINC000627534745 388352526 /nfs/dbraw/zinc/35/25/26/388352526.db2.gz NTVXEXGUFKNOPJ-UHFFFAOYSA-N -1 3 229.226 2.086 20 0 BEADHM CC(C)(CCO)NCc1cccc([O-])c1Cl ZINC000293647070 388355867 /nfs/dbraw/zinc/35/58/67/388355867.db2.gz SDXGAMKNHCLLAP-UHFFFAOYSA-N -1 3 243.734 2.296 20 0 BEADHM C[C@H](CCO)CNCc1cccc([O-])c1Cl ZINC000293674208 388357746 /nfs/dbraw/zinc/35/77/46/388357746.db2.gz VBXKVHOOLCTPHC-SECBINFHSA-N -1 3 243.734 2.154 20 0 BEADHM O=C(NCC1CC1)c1cc([O-])ccc1Cl ZINC000236610579 388381450 /nfs/dbraw/zinc/38/14/50/388381450.db2.gz ZNAUSKARKFHHRQ-UHFFFAOYSA-N -1 3 225.675 2.185 20 0 BEADHM Cc1ccc(NC(=O)CCc2ccon2)c([O-])c1 ZINC000646599901 388393318 /nfs/dbraw/zinc/39/33/18/388393318.db2.gz LVLGREBQORWNFB-UHFFFAOYSA-N -1 3 246.266 2.260 20 0 BEADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(O)cc1[O-] ZINC000335470584 388450413 /nfs/dbraw/zinc/45/04/13/388450413.db2.gz SGCCTGRIBWXFGV-VHSXEESVSA-N -1 3 249.310 2.358 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H](C)C(C)C ZINC000649231810 388464204 /nfs/dbraw/zinc/46/42/04/388464204.db2.gz HSOYYQGGQFHGOY-VIFPVBQESA-N -1 3 237.347 2.494 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H](C)C(C)C ZINC000649231809 388464240 /nfs/dbraw/zinc/46/42/40/388464240.db2.gz HSOYYQGGQFHGOY-SECBINFHSA-N -1 3 237.347 2.494 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1CC=CC1 ZINC000649231330 388464668 /nfs/dbraw/zinc/46/46/68/388464668.db2.gz QMWYDKRKKPJACY-UHFFFAOYSA-N -1 3 233.315 2.168 20 0 BEADHM Cc1cccc(C(=O)Nc2ccc(=O)[nH]c2)c1[O-] ZINC000311050651 388492570 /nfs/dbraw/zinc/49/25/70/388492570.db2.gz QRRIACJTATXLIZ-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM CSc1nsc([N-]C(=O)c2ccoc2)n1 ZINC000078755387 388512434 /nfs/dbraw/zinc/51/24/34/388512434.db2.gz HMKKBCRNYGKQIG-UHFFFAOYSA-N -1 3 241.297 2.105 20 0 BEADHM C[C@H](NCc1cccc([O-])c1Cl)C(C)(C)O ZINC000378853883 388521890 /nfs/dbraw/zinc/52/18/90/388521890.db2.gz IGGOJUPUTIZXQL-QMMMGPOBSA-N -1 3 243.734 2.295 20 0 BEADHM CC[C@H](NCc1ncccc1[O-])c1nccs1 ZINC000516893979 388522183 /nfs/dbraw/zinc/52/21/83/388522183.db2.gz JSUMEKUCARVOEC-VIFPVBQESA-N -1 3 249.339 2.485 20 0 BEADHM Cc1cnccc1NC(=O)c1c([O-])cccc1O ZINC000220239110 388602793 /nfs/dbraw/zinc/60/27/93/388602793.db2.gz SDDLRDAKYNQVFV-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM C[C@H](C(=O)[O-])N1CCC[C@@H]1c1cccs1 ZINC000261537137 388562077 /nfs/dbraw/zinc/56/20/77/388562077.db2.gz UYOXRVDPQBWPGL-RKDXNWHRSA-N -1 3 225.313 2.358 20 0 BEADHM O=C([N-]OCc1cccnc1)[C@@H]1CCCC12CC2 ZINC000528877683 388580378 /nfs/dbraw/zinc/58/03/78/388580378.db2.gz RGSVPHYTBGLVIR-LBPRGKRZSA-N -1 3 246.310 2.210 20 0 BEADHM O=C(Nc1ncccc1[O-])[C@@H]1CCC[C@H]2C[C@H]21 ZINC000613425939 388686063 /nfs/dbraw/zinc/68/60/63/388686063.db2.gz FEYVDZCECVASNT-IVZWLZJFSA-N -1 3 232.283 2.162 20 0 BEADHM O=C(Nc1ccc(F)cc1)c1c([O-])cccc1O ZINC000125606132 388673587 /nfs/dbraw/zinc/67/35/87/388673587.db2.gz GUCRLBSHCRCSOO-UHFFFAOYSA-N -1 3 247.225 2.489 20 0 BEADHM O=C([O-])[C@H](C1CC1)N1CCc2ccc(F)cc2C1 ZINC000522007334 388674143 /nfs/dbraw/zinc/67/41/43/388674143.db2.gz FBWRTZDDOZOZEZ-ZDUSSCGKSA-N -1 3 249.285 2.047 20 0 BEADHM C[C@@H]1CC(F)(F)CCN1CCCCC(=O)[O-] ZINC000530174707 388620476 /nfs/dbraw/zinc/62/04/76/388620476.db2.gz ZCPMHNKOZLICTE-SECBINFHSA-N -1 3 235.274 2.361 20 0 BEADHM C[C@H]1CC(F)(F)CCN1CCCCC(=O)[O-] ZINC000530174708 388620700 /nfs/dbraw/zinc/62/07/00/388620700.db2.gz ZCPMHNKOZLICTE-VIFPVBQESA-N -1 3 235.274 2.361 20 0 BEADHM C[C@@H]1C[C@H]1c1ccc(CNCCCC(=O)[O-])o1 ZINC000037417558 388643818 /nfs/dbraw/zinc/64/38/18/388643818.db2.gz GTFLMHVEKONCGZ-MWLCHTKSSA-N -1 3 237.299 2.357 20 0 BEADHM C[C@H](C[C@H](C)O)NCc1cccc([O-])c1Cl ZINC000328483930 388644727 /nfs/dbraw/zinc/64/47/27/388644727.db2.gz QMYWNRWWLBYKDS-BDAKNGLRSA-N -1 3 243.734 2.295 20 0 BEADHM Cc1ccc(C(=O)NCC2(C)CC2)c([O-])c1 ZINC000223636332 388655558 /nfs/dbraw/zinc/65/55/58/388655558.db2.gz FUKYZRQJOISHSS-UHFFFAOYSA-N -1 3 219.284 2.231 20 0 BEADHM [O-]c1ccc(F)c(CNc2c[nH]cn2)c1F ZINC000552029068 388662440 /nfs/dbraw/zinc/66/24/40/388662440.db2.gz BGEFAWPDSLKZIO-UHFFFAOYSA-N -1 3 225.198 2.006 20 0 BEADHM C[C@H](c1ccccn1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421353 388735331 /nfs/dbraw/zinc/73/53/31/388735331.db2.gz ZDNSELALHORWSZ-NEPJUHHUSA-N -1 3 248.326 2.329 20 0 BEADHM CCC[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000019838045 388749613 /nfs/dbraw/zinc/74/96/13/388749613.db2.gz QUIXXQACKUEHOX-VIFPVBQESA-N -1 3 207.273 2.311 20 0 BEADHM O=C(NCc1ccc([O-])c(F)c1)C1=CCCC1 ZINC000126540806 388697546 /nfs/dbraw/zinc/69/75/46/388697546.db2.gz DKGYKGJSAFYENJ-UHFFFAOYSA-N -1 3 235.258 2.258 20 0 BEADHM CCc1cnc(C[N-]c2nc(C)no2)s1 ZINC000230054075 388811428 /nfs/dbraw/zinc/81/14/28/388811428.db2.gz DKQVUNBGAYESGV-UHFFFAOYSA-N -1 3 224.289 2.009 20 0 BEADHM C[C@@H]1CCCCN1C(=O)/C=C\c1cncc([O-])c1 ZINC000254914189 388865334 /nfs/dbraw/zinc/86/53/34/388865334.db2.gz DKJSUXTYHONXEZ-ISALQUGTSA-N -1 3 246.310 2.201 20 0 BEADHM CC[C@@H](C)CNC(=O)c1ccc([O-])c(C)c1 ZINC000232385613 388849887 /nfs/dbraw/zinc/84/98/87/388849887.db2.gz PUHNWSMMJJBHEE-SECBINFHSA-N -1 3 221.300 2.477 20 0 BEADHM C[C@H]1CCC[C@H]1CNC(=O)c1c([O-])cccc1O ZINC000232434938 388850126 /nfs/dbraw/zinc/85/01/26/388850126.db2.gz JUPMBRIEVUGXFU-UWVGGRQHSA-N -1 3 249.310 2.264 20 0 BEADHM C[C@@H]1CC[C@H](CNC(=O)c2c([O-])cccc2O)C1 ZINC000232434929 388850477 /nfs/dbraw/zinc/85/04/77/388850477.db2.gz BDWUIZVXSLIEMM-ZJUUUORDSA-N -1 3 249.310 2.264 20 0 BEADHM COc1cccc(C(=O)N[C@H](C)CC2CC2)c1[O-] ZINC000070104949 388876343 /nfs/dbraw/zinc/87/63/43/388876343.db2.gz LLRNBXFMHKOGCJ-SECBINFHSA-N -1 3 249.310 2.319 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@]23C[C@H]2CCC3)n1 ZINC000565298273 388936587 /nfs/dbraw/zinc/93/65/87/388936587.db2.gz BEJVJVMIBBHXEF-NOZJJQNGSA-N -1 3 232.283 2.224 20 0 BEADHM CC(=O)c1cccc(CN(CC(=O)[O-])C(C)C)c1 ZINC000565719999 388966093 /nfs/dbraw/zinc/96/60/93/388966093.db2.gz CTTJYOMMMOQUMT-UHFFFAOYSA-N -1 3 249.310 2.184 20 0 BEADHM Cc1cccc(C(=O)N[C@@H]2CC[C@H](F)C2)c1[O-] ZINC000334365297 133625630 /nfs/dbraw/zinc/62/56/30/133625630.db2.gz HOPNZRNOQVCHPJ-VHSXEESVSA-N -1 3 237.274 2.321 20 0 BEADHM Cc1cccnc1C[S@](=O)c1ccc([O-])cc1 ZINC000335934228 134011935 /nfs/dbraw/zinc/01/19/35/134011935.db2.gz SDHWPGRBPGIVEF-KRWDZBQOSA-N -1 3 247.319 2.403 20 0 BEADHM COC(=O)c1cnc(S[C@H](C)C(C)C)[n-]1 ZINC000352155666 134084555 /nfs/dbraw/zinc/08/45/55/134084555.db2.gz ZADDQCNXHTUDLW-SSDOTTSWSA-N -1 3 228.317 2.333 20 0 BEADHM COc1cc(C(=O)N(C)[C@@H]2CC2(C)C)ccc1[O-] ZINC000336112232 134087160 /nfs/dbraw/zinc/08/71/60/134087160.db2.gz WGZMUKKOOILQNP-GFCCVEGCSA-N -1 3 249.310 2.271 20 0 BEADHM Cc1cc(C(=O)N2CCC23CCC3)ccc1[O-] ZINC000336153906 134105112 /nfs/dbraw/zinc/10/51/12/134105112.db2.gz JHJARHOMGWTDAE-UHFFFAOYSA-N -1 3 231.295 2.469 20 0 BEADHM CCn1ccnc1C(=O)Nc1ccc(C)cc1[O-] ZINC000336157870 134106557 /nfs/dbraw/zinc/10/65/57/134106557.db2.gz BDNVHHPCOHZHNY-UHFFFAOYSA-N -1 3 245.282 2.169 20 0 BEADHM O=C(c1ccccc1[O-])N1CC(C2CCC2)C1 ZINC000336158219 134106564 /nfs/dbraw/zinc/10/65/64/134106564.db2.gz YYCJOSIBLQPTGN-UHFFFAOYSA-N -1 3 231.295 2.264 20 0 BEADHM CCc1ccc(C(=O)N2CC[C@H](C)C2)c([O-])c1 ZINC000336157512 134106666 /nfs/dbraw/zinc/10/66/66/134106666.db2.gz AVIMPOCXUNJPQH-JTQLQIEISA-N -1 3 233.311 2.437 20 0 BEADHM Cc1cc(C(=O)NCc2cccnc2)ccc1[O-] ZINC000226714205 134370686 /nfs/dbraw/zinc/37/06/86/134370686.db2.gz KKGPIZPNMKUEFF-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM Cc1cc(C(=O)Nc2ccc(F)cn2)ccc1[O-] ZINC000226716855 134370801 /nfs/dbraw/zinc/37/08/01/134370801.db2.gz VLDSWOOFFORNOX-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM CCc1cccc(Cl)c1CN[C@H](C)C(=O)[O-] ZINC000261564080 135206030 /nfs/dbraw/zinc/20/60/30/135206030.db2.gz CFOLMSKHICOQMA-MRVPVSSYSA-N -1 3 241.718 2.465 20 0 BEADHM CC1(C)CC(C(=O)Nc2ncccc2[O-])C1 ZINC000334343853 135365161 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CC[C@H](C)[C@@H](C)C(=O)NCc1ncccc1[O-] ZINC000331024235 171360447 /nfs/dbraw/zinc/36/04/47/171360447.db2.gz SGNSOPYVQCBCMV-VHSXEESVSA-N -1 3 236.315 2.086 20 0 BEADHM CO[C@H](C(=O)Nc1ccc(C)cc1[O-])C1CCC1 ZINC000665203957 412137105 /nfs/dbraw/zinc/13/71/05/412137105.db2.gz VESOTRCRSQZGAW-ZDUSSCGKSA-N -1 3 249.310 2.454 20 0 BEADHM Cc1cc(F)c(CN[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000665336238 412266798 /nfs/dbraw/zinc/26/67/98/412266798.db2.gz IQZXDQWNFMHAFG-SSDOTTSWSA-N -1 3 245.681 2.350 20 0 BEADHM CCc1cc(C(=O)NCc2ccoc2)ccc1[O-] ZINC000342126656 171754092 /nfs/dbraw/zinc/75/40/92/171754092.db2.gz WVHFFCUCRMKRRR-UHFFFAOYSA-N -1 3 245.278 2.478 20 0 BEADHM CCc1nc([C@@H](C)[N-]C(=O)C(F)F)cs1 ZINC000279023048 172000473 /nfs/dbraw/zinc/00/04/73/172000473.db2.gz MVTKNWNHWGUADN-RXMQYKEDSA-N -1 3 234.271 2.148 20 0 BEADHM CCc1ncsc1C(=O)Nc1ncccc1[O-] ZINC000123233052 172035330 /nfs/dbraw/zinc/03/53/30/172035330.db2.gz ILWQOQHWGHUUFU-UHFFFAOYSA-N -1 3 249.295 2.058 20 0 BEADHM CCc1noc(C)c1[N-]C(=O)c1cncc(F)c1 ZINC000336612284 172081662 /nfs/dbraw/zinc/08/16/62/172081662.db2.gz HZLFHMSAIBZQSE-UHFFFAOYSA-N -1 3 249.245 2.332 20 0 BEADHM CCc1noc([N-]Cc2ccnn2C(C)C)n1 ZINC000292841166 172089104 /nfs/dbraw/zinc/08/91/04/172089104.db2.gz VHQIPKGQIZURJM-UHFFFAOYSA-N -1 3 235.291 2.022 20 0 BEADHM CCc1ocnc1C(=O)[N-]c1c(C)noc1C ZINC000265757052 172123782 /nfs/dbraw/zinc/12/37/82/172123782.db2.gz JAZWUGXPUNQXPT-UHFFFAOYSA-N -1 3 235.243 2.094 20 0 BEADHM CCc1onc(C)c1[N-]C(=O)c1ccco1 ZINC000089398611 172127398 /nfs/dbraw/zinc/12/73/98/172127398.db2.gz BOXFAFCNXGJVKU-UHFFFAOYSA-N -1 3 220.228 2.391 20 0 BEADHM CCn1ccnc1NC(=O)c1ccc([O-])c(C)c1 ZINC000335351185 172225998 /nfs/dbraw/zinc/22/59/98/172225998.db2.gz QOFKMNSHQIAOKU-UHFFFAOYSA-N -1 3 245.282 2.169 20 0 BEADHM CN(C(=O)c1ccccc1[O-])[C@@H]1CC1(C)C ZINC000336321380 172342967 /nfs/dbraw/zinc/34/29/67/172342967.db2.gz WBBBLAZURSHHBZ-LLVKDONJSA-N -1 3 219.284 2.263 20 0 BEADHM COCC[C@@H]([N-]C(=O)C(F)F)c1ccc(C)o1 ZINC000280134714 174392967 /nfs/dbraw/zinc/39/29/67/174392967.db2.gz GSIZYHVMODCFMH-MRVPVSSYSA-N -1 3 247.241 2.047 20 0 BEADHM COc1cc(C(=O)N2CC=C(C)CC2)ccc1[O-] ZINC000276003369 174944491 /nfs/dbraw/zinc/94/44/91/174944491.db2.gz PASQIEVFSQVJNT-UHFFFAOYSA-N -1 3 247.294 2.193 20 0 BEADHM COc1cc(C(=O)N[C@H]2CCC[C@@H]2C)ccc1[O-] ZINC000268065485 174948728 /nfs/dbraw/zinc/94/87/28/174948728.db2.gz HADRYAZRKAJWDC-ONGXEEELSA-N -1 3 249.310 2.319 20 0 BEADHM COc1ccc(C(=O)N(C)[C@H]2CC2(C)C)c([O-])c1 ZINC000336321332 175055113 /nfs/dbraw/zinc/05/51/13/175055113.db2.gz DRUKXLKNTJEEOS-LBPRGKRZSA-N -1 3 249.310 2.271 20 0 BEADHM COc1ccc(C(=O)N(C)CCC2CC2)c([O-])c1 ZINC000156257796 175055333 /nfs/dbraw/zinc/05/53/33/175055333.db2.gz NRMXHHGRYPQVSF-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM COc1ccc(C)cc1CN(CC(=O)[O-])C1CC1 ZINC000037598505 175074845 /nfs/dbraw/zinc/07/48/45/175074845.db2.gz CVLSXTINNSGUFT-UHFFFAOYSA-N -1 3 249.310 2.053 20 0 BEADHM COc1ccc(C)cc1[C@@H](C)NCCC(=O)[O-] ZINC000036804316 175079061 /nfs/dbraw/zinc/07/90/61/175079061.db2.gz WLQSFZPILPXYCO-SNVBAGLBSA-N -1 3 237.299 2.129 20 0 BEADHM COc1ccc(F)cc1NC([O-])=NOC(C)C ZINC000297046220 175131645 /nfs/dbraw/zinc/13/16/45/175131645.db2.gz WZJAWTDIGKNSGW-UHFFFAOYSA-N -1 3 242.250 2.296 20 0 BEADHM COc1ccc(F)cc1NC(=O)[N-]OC(C)C ZINC000297046220 175131646 /nfs/dbraw/zinc/13/16/46/175131646.db2.gz WZJAWTDIGKNSGW-UHFFFAOYSA-N -1 3 242.250 2.296 20 0 BEADHM COc1ccc([O-])c(C(=O)Nc2ccccn2)c1 ZINC000033504331 175157871 /nfs/dbraw/zinc/15/78/71/175157871.db2.gz MYZCNWYFEPUFBB-UHFFFAOYSA-N -1 3 244.250 2.048 20 0 BEADHM COc1cccc(-c2nc(CC3CC3)no2)c1[O-] ZINC000149306467 175236882 /nfs/dbraw/zinc/23/68/82/175236882.db2.gz BOGLTUKPPRFCML-UHFFFAOYSA-N -1 3 246.266 2.403 20 0 BEADHM COc1cccc(C(=O)N2CCC[C@H](C)C2)c1[O-] ZINC000019837472 175243678 /nfs/dbraw/zinc/24/36/78/175243678.db2.gz HKZMKMASRXVXDG-JTQLQIEISA-N -1 3 249.310 2.273 20 0 BEADHM COc1cccc(C(=O)N2CC=C(C)CC2)c1[O-] ZINC000160229057 175243707 /nfs/dbraw/zinc/24/37/07/175243707.db2.gz CYELQMARULLERC-UHFFFAOYSA-N -1 3 247.294 2.193 20 0 BEADHM COc1cccc(C(=O)NCC=C(C)C)c1[O-] ZINC000191836182 175244098 /nfs/dbraw/zinc/24/40/98/175244098.db2.gz VOURPRSUTAVKOV-UHFFFAOYSA-N -1 3 235.283 2.097 20 0 BEADHM COc1ccccc1/C=C/C(=O)[N-]OCC1CC1 ZINC000293791702 175313668 /nfs/dbraw/zinc/31/36/68/175313668.db2.gz OTTDUYKKLUTAFF-CMDGGOBGSA-N -1 3 247.294 2.166 20 0 BEADHM CS[C@H](C)CC(=O)Nc1nc(C)ccc1[O-] ZINC000273578569 175559676 /nfs/dbraw/zinc/55/96/76/175559676.db2.gz YVGBRMWFHMJIDD-MRVPVSSYSA-N -1 3 240.328 2.176 20 0 BEADHM C[C@@H](c1ccc(F)c(F)c1)N(C)CCC(=O)[O-] ZINC000106037444 176014246 /nfs/dbraw/zinc/01/42/46/176014246.db2.gz FBIDJWVFDBZEEN-QMMMGPOBSA-N -1 3 243.253 2.432 20 0 BEADHM C[C@@H]1CCC[C@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000125653203 176142348 /nfs/dbraw/zinc/14/23/48/176142348.db2.gz JJZAYMRMMNWBHR-ZJUUUORDSA-N -1 3 249.310 2.406 20 0 BEADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000175448053 176197631 /nfs/dbraw/zinc/19/76/31/176197631.db2.gz WCPPPJCKPQGKGO-NXEZZACHSA-N -1 3 249.310 2.358 20 0 BEADHM C[C@@H]1CC[C@H](CCC(=O)[N-]OC/C=C/Cl)O1 ZINC000291928639 176223303 /nfs/dbraw/zinc/22/33/03/176223303.db2.gz UXFUWRUWEWREJU-MSDBAUOCSA-N -1 3 247.722 2.134 20 0 BEADHM C[C@@H]1C[C@@H](C)N1C(=O)Cc1ccc([O-])c(F)c1 ZINC000336263324 176363748 /nfs/dbraw/zinc/36/37/48/176363748.db2.gz CWZPJYCQXBWWQM-RKDXNWHRSA-N -1 3 237.274 2.083 20 0 BEADHM C[C@H]1CCCC[C@@H]1NC(=O)c1c([O-])cccc1O ZINC000179386863 177082855 /nfs/dbraw/zinc/08/28/55/177082855.db2.gz BIFWSWUXEJKFQN-UWVGGRQHSA-N -1 3 249.310 2.406 20 0 BEADHM C[C@H]1CCCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000125744051 177094503 /nfs/dbraw/zinc/09/45/03/177094503.db2.gz GFHXKXLMYRJHKN-JTQLQIEISA-N -1 3 249.310 2.360 20 0 BEADHM C[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000019837452 177095345 /nfs/dbraw/zinc/09/53/45/177095345.db2.gz FPVXYLYQAUPLCX-JTQLQIEISA-N -1 3 219.284 2.264 20 0 BEADHM C[C@H]1CCC[C@@H]1CC(=O)[N-]OCc1cccnc1 ZINC000184775339 177123808 /nfs/dbraw/zinc/12/38/08/177123808.db2.gz HDWZYYMBUYPMOO-WCQYABFASA-N -1 3 248.326 2.456 20 0 BEADHM C[C@H]1CN(C(=O)c2cccc([O-])c2)C[C@@H]1C ZINC000086014850 177228460 /nfs/dbraw/zinc/22/84/60/177228460.db2.gz DDBJZDNKTVFQFE-UWVGGRQHSA-N -1 3 219.284 2.120 20 0 BEADHM C[C@H]1CN(Cc2cc([O-])cc(F)c2)CCCO1 ZINC000184150201 177260209 /nfs/dbraw/zinc/26/02/09/177260209.db2.gz MXQCMBMLNFJFEC-JTQLQIEISA-N -1 3 239.290 2.142 20 0 BEADHM C[C@@H]1CN(Cc2cc([O-])cc(F)c2)[C@@H](C)CO1 ZINC000223753446 177301712 /nfs/dbraw/zinc/30/17/12/177301712.db2.gz NHJXGDTVTDTMBL-VHSXEESVSA-N -1 3 239.290 2.141 20 0 BEADHM C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2ccccc2[O-])O1 ZINC000282079721 177323054 /nfs/dbraw/zinc/32/30/54/177323054.db2.gz NXEXGHSKPNKVRH-YGOYTEALSA-N -1 3 235.283 2.144 20 0 BEADHM C[C@H]1C[C@@H]1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000354721314 177342169 /nfs/dbraw/zinc/34/21/69/177342169.db2.gz PPJJWKGCLIKBCO-WCBMZHEXSA-N -1 3 237.274 2.194 20 0 BEADHM C[C@H]1C[C@H]1CC(=O)Nc1ccccc1[O-] ZINC000334146000 177378317 /nfs/dbraw/zinc/37/83/17/177378317.db2.gz BIXWQTVQJNBZJL-IUCAKERBSA-N -1 3 205.257 2.377 20 0 BEADHM Cc1ncsc1/C=C/C(=O)[N-]OCC(C)C ZINC000492665154 226030494 /nfs/dbraw/zinc/03/04/94/226030494.db2.gz ZSGVTBZRQODYAM-SNAWJCMRSA-N -1 3 240.328 2.169 20 0 BEADHM O=C(/C=C\c1cccnc1)[N-]OC1CCCCC1 ZINC000492715625 226040858 /nfs/dbraw/zinc/04/08/58/226040858.db2.gz CHARJXZAHDJVHC-HJWRWDBZSA-N -1 3 246.310 2.475 20 0 BEADHM Cc1ccncc1/C=C\C(=O)[N-]OCCC1CC1 ZINC000492802837 226055891 /nfs/dbraw/zinc/05/58/91/226055891.db2.gz FJGMMVMRUJNLGU-PLNGDYQASA-N -1 3 246.310 2.251 20 0 BEADHM Cc1cccc([O-])c1NC(=O)/C=C\[C@@H]1CCOC1 ZINC000493635336 226246930 /nfs/dbraw/zinc/24/69/30/226246930.db2.gz VCOULGHSIKAAMV-ISALQUGTSA-N -1 3 247.294 2.232 20 0 BEADHM Cc1ncccc1/C=C/C(=O)[N-]OC1CCCC1 ZINC000493868388 226258204 /nfs/dbraw/zinc/25/82/04/226258204.db2.gz JAJMWINHFIXFIL-CMDGGOBGSA-N -1 3 246.310 2.394 20 0 BEADHM O=C([O-])[C@@H]1CN(CC2CC2)Cc2ccccc21 ZINC000087612409 487670957 /nfs/dbraw/zinc/67/09/57/487670957.db2.gz LAFKILLKPSHSNB-CYBMUJFWSA-N -1 3 231.295 2.080 20 0 BEADHM c1nnc([N-]Cc2nccc3ccccc32)o1 ZINC000671672938 487682354 /nfs/dbraw/zinc/68/23/54/487682354.db2.gz JYQFHCOKEGQYNT-UHFFFAOYSA-N -1 3 226.239 2.230 20 0 BEADHM O=C([O-])c1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000659799985 487684226 /nfs/dbraw/zinc/68/42/26/487684226.db2.gz LQRIAAUJONZSTK-GHMZBOCLSA-N -1 3 249.285 2.366 20 0 BEADHM CCc1cc(=O)[n-]c(CN(CC)CC(C)C)n1 ZINC000176888978 487689093 /nfs/dbraw/zinc/68/90/93/487689093.db2.gz AXBHOTORRNACAN-UHFFFAOYSA-N -1 3 237.347 2.223 20 0 BEADHM O=C([O-])CCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000082717513 487721354 /nfs/dbraw/zinc/72/13/54/487721354.db2.gz CDVIDRWOSJDSAN-MRVPVSSYSA-N -1 3 239.237 2.126 20 0 BEADHM [O-]c1coc2cc(OC[C@@H]3CCCOC3)ccc12 ZINC000666189640 487752137 /nfs/dbraw/zinc/75/21/37/487752137.db2.gz QMGWQQFKABRBKF-SNVBAGLBSA-N -1 3 248.278 2.067 20 0 BEADHM C[C@H](C(=O)[O-])N(C)Cc1ccc(F)cc1Cl ZINC000054070340 487761828 /nfs/dbraw/zinc/76/18/28/487761828.db2.gz OYMRWHZQNLXRRJ-SSDOTTSWSA-N -1 3 245.681 2.384 20 0 BEADHM CCc1cc(C(=O)N2C[C@H](C)[C@H]2C)ccc1[O-] ZINC000293942275 487771013 /nfs/dbraw/zinc/77/10/13/487771013.db2.gz FGYVSOVDWVYKNF-VHSXEESVSA-N -1 3 233.311 2.435 20 0 BEADHM C[C@@H](NC(=O)c1ccccc1[O-])c1cccnc1 ZINC000035206442 487805762 /nfs/dbraw/zinc/80/57/62/487805762.db2.gz OAEJFWLUTJQBPE-SNVBAGLBSA-N -1 3 242.278 2.278 20 0 BEADHM CSCCO[N-]C(=O)C[C@H]1CCC[C@@H]1C ZINC000794185195 586034421 /nfs/dbraw/zinc/03/44/21/586034421.db2.gz ZIBAWDRGVVDFTB-VHSXEESVSA-N -1 3 231.361 2.224 20 0 BEADHM CSCCO[N-]C(=O)Nc1cscc1C ZINC000797637534 586129627 /nfs/dbraw/zinc/12/96/27/586129627.db2.gz XWYAEEFEESLILO-UHFFFAOYSA-N -1 3 246.357 2.473 20 0 BEADHM CCCC1(C(=O)[N-]OCCOC(C)C)CC1 ZINC000812805162 586586876 /nfs/dbraw/zinc/58/68/76/586586876.db2.gz YDZLAMFPLXBDKS-UHFFFAOYSA-N -1 3 229.320 2.040 20 0 BEADHM C[C@](NC/C(Cl)=C/Cl)(C(=O)[O-])C1CC1 ZINC000827735364 587400171 /nfs/dbraw/zinc/40/01/71/587400171.db2.gz VRTMMNWBNQVKLD-WQAKUFEDSA-N -1 3 238.114 2.148 20 0 BEADHM CC(C)(NC(=O)c1cccc([O-])c1)C(F)F ZINC000684344752 487840194 /nfs/dbraw/zinc/84/01/94/487840194.db2.gz XCWHDNVWZDUIGR-UHFFFAOYSA-N -1 3 229.226 2.166 20 0 BEADHM CCOC([O-])=NOCCCSCC(C)C ZINC000496873023 529083266 /nfs/dbraw/zinc/08/32/66/529083266.db2.gz GQXLBWBOJYRQFY-UHFFFAOYSA-N -1 3 235.349 2.443 20 0 BEADHM CCOC(=O)[N-]OCCCSCC(C)C ZINC000496873023 529083267 /nfs/dbraw/zinc/08/32/67/529083267.db2.gz GQXLBWBOJYRQFY-UHFFFAOYSA-N -1 3 235.349 2.443 20 0 BEADHM O=c1[n-]c([C@H]2CCCO2)nc2cccc(F)c12 ZINC000676558138 487872589 /nfs/dbraw/zinc/87/25/89/487872589.db2.gz IKPOCHTZGJNZNE-SECBINFHSA-N -1 3 234.230 2.326 20 0 BEADHM C[C@@H]1CCC[C@@H](C)N1C(=O)Cc1cncc([O-])c1 ZINC000668218594 487880578 /nfs/dbraw/zinc/88/05/78/487880578.db2.gz POQGUKAYADTVMO-GHMZBOCLSA-N -1 3 248.326 2.119 20 0 BEADHM CCc1cc([N-]C(=O)c2conc2CC)no1 ZINC000669052782 487915105 /nfs/dbraw/zinc/91/51/05/487915105.db2.gz LOBKBTFMLWWPHC-UHFFFAOYSA-N -1 3 235.243 2.040 20 0 BEADHM CC(C)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000083643612 487926157 /nfs/dbraw/zinc/92/61/57/487926157.db2.gz BFIBGWLIMZVBFZ-LBPRGKRZSA-N -1 3 219.284 2.079 20 0 BEADHM COc1cc(C(=O)N[C@@H](C)C2CCC2)ccc1[O-] ZINC000682362331 487936783 /nfs/dbraw/zinc/93/67/83/487936783.db2.gz YJUMEHUTDMXTKH-VIFPVBQESA-N -1 3 249.310 2.319 20 0 BEADHM C[C@H]1CCC[C@@H](N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000682396205 487946935 /nfs/dbraw/zinc/94/69/35/487946935.db2.gz RCLKFNHNEDBVEP-VHSXEESVSA-N -1 3 245.330 2.107 20 0 BEADHM CCO[N-]C(=O)/C=C\c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000214596931 322986837 /nfs/dbraw/zinc/98/68/37/322986837.db2.gz QIMQDBVPTQONES-ZQSFWJJOSA-N -1 3 235.283 2.484 20 0 BEADHM CC(=O)[N-]OCc1nc(C(C)(C)C)cs1 ZINC000120880269 322992797 /nfs/dbraw/zinc/99/27/97/322992797.db2.gz URUJLEMGGPJOAR-UHFFFAOYSA-N -1 3 228.317 2.008 20 0 BEADHM C[C@H]1CCC[C@@H](NC(=O)Cc2cncc([O-])c2)C1 ZINC000561136292 322995751 /nfs/dbraw/zinc/99/57/51/322995751.db2.gz 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585513957 /nfs/dbraw/zinc/51/39/57/585513957.db2.gz DIQGENIFZCAUHT-UHFFFAOYSA-N -1 3 227.226 2.423 20 0 BEADHM CNC(=S)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000767437113 585519986 /nfs/dbraw/zinc/51/99/86/585519986.db2.gz VGZGXGWYQHQBNB-MRVPVSSYSA-N -1 3 236.340 2.210 20 0 BEADHM CC(C)(F)C(=O)Nc1cccc([O-])c1F ZINC000769057059 585548322 /nfs/dbraw/zinc/54/83/22/585548322.db2.gz SEVDVIZEWRZYRL-UHFFFAOYSA-N -1 3 215.199 2.218 20 0 BEADHM Cc1cccnc1COC(=O)c1ccc([O-])cc1 ZINC000771867270 585602901 /nfs/dbraw/zinc/60/29/01/585602901.db2.gz XXVRWJGBWMEYEZ-UHFFFAOYSA-N -1 3 243.262 2.453 20 0 BEADHM CCOCCO[N-]C(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000772696265 585620682 /nfs/dbraw/zinc/62/06/82/585620682.db2.gz OQVGUJSFEAFTRU-VXGBXAGGSA-N -1 3 243.347 2.287 20 0 BEADHM CCOCCO[N-]C(=O)C(CC)(CC)CC ZINC000772692991 585621049 /nfs/dbraw/zinc/62/10/49/585621049.db2.gz XGAOMGYNRHUAAT-UHFFFAOYSA-N -1 3 231.336 2.287 20 0 BEADHM C[C@H]1CCC[C@@H]1CC(=O)[N-]OC1CCOCC1 ZINC000772709768 585621574 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589806599 /nfs/dbraw/zinc/80/65/99/589806599.db2.gz FLVNFBVSVSHPBD-UHFFFAOYSA-N -1 3 213.277 2.244 20 0 BEADHM CCOC(=O)[N-]OCC1CC2(CCC2)C1 ZINC000871757565 589806602 /nfs/dbraw/zinc/80/66/02/589806602.db2.gz FLVNFBVSVSHPBD-UHFFFAOYSA-N -1 3 213.277 2.244 20 0 BEADHM CCc1[n-]n(C2CCC2)c(=O)c1C(C)C ZINC000871943087 589836540 /nfs/dbraw/zinc/83/65/40/589836540.db2.gz YBTBNRKUTOKHQF-LLVKDONJSA-N -1 3 208.305 2.419 20 0 BEADHM Cc1[n-]n(Cc2cc(F)ccc2F)c(=O)c1F ZINC000871948143 589838443 /nfs/dbraw/zinc/83/84/43/589838443.db2.gz JNATZDCFHGXDNA-JTQLQIEISA-N -1 3 242.200 2.021 20 0 BEADHM C[C@H](NCCn1ccnc1)c1cccc([O-])c1F ZINC000872018987 589857024 /nfs/dbraw/zinc/85/70/24/589857024.db2.gz RHCQPVUIXNFQJC-JTQLQIEISA-N -1 3 249.289 2.079 20 0 BEADHM C[C@@H](N[C@@H]1CCCOC1)c1cccc([O-])c1F ZINC000872035244 589858114 /nfs/dbraw/zinc/85/81/14/589858114.db2.gz UUGXUUDIWNVOGW-NXEZZACHSA-N -1 3 239.290 2.361 20 0 BEADHM C[C@H](NCc1cc[nH]n1)c1cccc([O-])c1F ZINC000872035765 589858342 /nfs/dbraw/zinc/85/83/42/589858342.db2.gz YQNVXCASCWSTPX-QMMMGPOBSA-N -1 3 235.262 2.105 20 0 BEADHM C[C@H](NCc1ccon1)c1cccc([O-])c1F ZINC000872040120 589859216 /nfs/dbraw/zinc/85/92/16/589859216.db2.gz KGDOJNHXQNWDMK-QMMMGPOBSA-N -1 3 236.246 2.370 20 0 BEADHM CO[C@@H](C)CN[C@@H](C)c1cccc([O-])c1F ZINC000872063916 589862572 /nfs/dbraw/zinc/86/25/72/589862572.db2.gz AGDCVUZTEHUDRK-IUCAKERBSA-N -1 3 227.279 2.217 20 0 BEADHM C[C@@H]1CCCN(c2cc(Cl)n[n-]c2=O)C1 ZINC000872386482 589930034 /nfs/dbraw/zinc/93/00/34/589930034.db2.gz OVLAEQGVAXNQGJ-SSDOTTSWSA-N -1 3 227.695 2.072 20 0 BEADHM CCC(CC)Nc1cc(Cl)n[n-]c1=O ZINC000872387226 589930375 /nfs/dbraw/zinc/93/03/75/589930375.db2.gz IJPLXIWJDJKPSG-UHFFFAOYSA-N -1 3 215.684 2.436 20 0 BEADHM O=c1[n-]nc(Cl)cc1NC1CCCC1 ZINC000872387327 589930476 /nfs/dbraw/zinc/93/04/76/589930476.db2.gz JLTULINEAILIFO-UHFFFAOYSA-N -1 3 213.668 2.190 20 0 BEADHM C[C@H]1CCCCN1c1cc(Cl)n[n-]c1=O ZINC000872389024 589930936 /nfs/dbraw/zinc/93/09/36/589930936.db2.gz VYAPBAXWKJDPCM-ZETCQYMHSA-N -1 3 227.695 2.214 20 0 BEADHM C[C@H](Nc1cc(Cl)n[n-]c1=O)C1CC1 ZINC000872395119 589932411 /nfs/dbraw/zinc/93/24/11/589932411.db2.gz DDKXKRUQNVPMNA-YFKPBYRVSA-N -1 3 213.668 2.046 20 0 BEADHM O=c1[n-]nc(Cl)cc1N1CCC[C@@H]1C1CC1 ZINC000872442343 589939617 /nfs/dbraw/zinc/93/96/17/589939617.db2.gz ARBLNAFKWOQDMD-MRVPVSSYSA-N -1 3 239.706 2.214 20 0 BEADHM CC1(C)CC[C@@H]1Nc1cc(Cl)n[n-]c1=O ZINC000872547504 589949024 /nfs/dbraw/zinc/94/90/24/589949024.db2.gz GMAPMORIJJPMAW-ZETCQYMHSA-N -1 3 227.695 2.436 20 0 BEADHM O=c1[n-]nc(Cl)cc1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000872581752 589954153 /nfs/dbraw/zinc/95/41/53/589954153.db2.gz DXSHPYCETQJUGC-BWZBUEFSSA-N -1 3 239.706 2.436 20 0 BEADHM O=c1[n-]nc(Cl)cc1N1CCC=C(Cl)C1 ZINC000872584911 589954471 /nfs/dbraw/zinc/95/44/71/589954471.db2.gz OKCYPFPFIKOLGW-UHFFFAOYSA-N -1 3 246.097 2.168 20 0 BEADHM O=c1[n-]nc(Cl)cc1NCC1=CCCC1 ZINC000872602609 589956104 /nfs/dbraw/zinc/95/61/04/589956104.db2.gz ASPWPYMGKBDXOF-UHFFFAOYSA-N -1 3 225.679 2.358 20 0 BEADHM CC1(C)CC(Nc2cc(Cl)n[n-]c2=O)C1 ZINC000872604144 589956128 /nfs/dbraw/zinc/95/61/28/589956128.db2.gz ARMLSHFBBCQFHO-UHFFFAOYSA-N -1 3 227.695 2.436 20 0 BEADHM CC(C)ON=C([O-])Nc1cc2ccccc2nn1 ZINC000888616857 589990593 /nfs/dbraw/zinc/99/05/93/589990593.db2.gz NKVNITARBHTYET-UHFFFAOYSA-N -1 3 246.270 2.091 20 0 BEADHM CC(C)O[N-]C(=O)Nc1cc2ccccc2nn1 ZINC000888616857 589990596 /nfs/dbraw/zinc/99/05/96/589990596.db2.gz NKVNITARBHTYET-UHFFFAOYSA-N -1 3 246.270 2.091 20 0 BEADHM CC[C@H](OC(=O)c1cc([O-])ccc1F)C(C)=O ZINC000873397816 590038108 /nfs/dbraw/zinc/03/81/08/590038108.db2.gz WXFKQMZRADGDOL-NSHDSACASA-N -1 3 240.230 2.056 20 0 BEADHM CCO[N-]C(=O)C/C=C/Cc1ccccc1 ZINC000873913676 590079284 /nfs/dbraw/zinc/07/92/84/590079284.db2.gz YTEWKKGGXPYIMN-VOTSOKGWSA-N -1 3 219.284 2.243 20 0 BEADHM O=C([O-])[C@H]1C[C@@H](NCc2ccsc2Cl)C1 ZINC000874045722 590085785 /nfs/dbraw/zinc/08/57/85/590085785.db2.gz DBIGXFGGYPNZEE-OCAPTIKFSA-N -1 3 245.731 2.354 20 0 BEADHM CCC[C@H](CC)C(=O)Nc1nnc(SC)[n-]1 ZINC000874254446 590099173 /nfs/dbraw/zinc/09/91/73/590099173.db2.gz TYFFFJCVUIKLLU-ZETCQYMHSA-N -1 3 242.348 2.291 20 0 BEADHM CCC[C@H](CC)C(=O)Nc1nc(SC)n[n-]1 ZINC000874254446 590099177 /nfs/dbraw/zinc/09/91/77/590099177.db2.gz TYFFFJCVUIKLLU-ZETCQYMHSA-N -1 3 242.348 2.291 20 0 BEADHM CCC[C@H](CC)C(=O)Nc1n[n-]c(SC)n1 ZINC000874254446 590099180 /nfs/dbraw/zinc/09/91/80/590099180.db2.gz TYFFFJCVUIKLLU-ZETCQYMHSA-N -1 3 242.348 2.291 20 0 BEADHM CCOCCCC(=O)[N-]Oc1ccccc1F ZINC000874912163 590155031 /nfs/dbraw/zinc/15/50/31/590155031.db2.gz HDLHOJKTBVYFPV-UHFFFAOYSA-N -1 3 241.262 2.052 20 0 BEADHM O=C(C=C1CCC1)[N-]Oc1ccccc1F ZINC000874912011 590155295 /nfs/dbraw/zinc/15/52/95/590155295.db2.gz QELOUKFFJLWZHV-UHFFFAOYSA-N -1 3 221.231 2.346 20 0 BEADHM Cc1cc(F)ccc1C=C1SC(=O)[N-]C1=O ZINC000874927397 590155663 /nfs/dbraw/zinc/15/56/63/590155663.db2.gz HNKIKANLHMNCRH-UITAMQMPSA-N -1 3 237.255 2.458 20 0 BEADHM Nc1ccc(C(=O)N[C@@H]2CCCC23CC3)c([O-])c1 ZINC000877131611 590290487 /nfs/dbraw/zinc/29/04/87/590290487.db2.gz FQZWTESVPDDPEI-GFCCVEGCSA-N -1 3 246.310 2.037 20 0 BEADHM O=C(COC1CC1)Nc1cc(Cl)ccc1[O-] ZINC000878378767 590556808 /nfs/dbraw/zinc/55/68/08/590556808.db2.gz MPYFOAFLORUVDN-UHFFFAOYSA-N -1 3 241.674 2.163 20 0 BEADHM O=C(C[C@@H]1C[C@H]1C1CC1)[N-]OCc1cccnc1 ZINC000879249005 590721383 /nfs/dbraw/zinc/72/13/83/590721383.db2.gz BHKGNUNMLVFBQS-STQMWFEESA-N -1 3 246.310 2.066 20 0 BEADHM O=C([N-]c1ccon1)c1ncsc1C1CC1 ZINC000879371204 590755351 /nfs/dbraw/zinc/75/53/51/590755351.db2.gz OUQHUIBTQVIJLN-UHFFFAOYSA-N -1 3 235.268 2.261 20 0 BEADHM CCOCCO[N-]C(=O)[C@]1(C)CCC[C@@H]1CC ZINC000879533858 590794810 /nfs/dbraw/zinc/79/48/10/590794810.db2.gz SZYVHHMMZVBQIK-WCQYABFASA-N -1 3 243.347 2.287 20 0 BEADHM CCOCCO[N-]C(=O)[C@@]1(C)CCC[C@@H]1CC ZINC000879533856 590795368 /nfs/dbraw/zinc/79/53/68/590795368.db2.gz SZYVHHMMZVBQIK-AAEUAGOBSA-N -1 3 243.347 2.287 20 0 BEADHM CC[C@H]1CCC[C@@]1(C)C(=O)[N-]OCCCOC ZINC000879975752 590902509 /nfs/dbraw/zinc/90/25/09/590902509.db2.gz JCTSBYKAJIXLII-WCQYABFASA-N -1 3 243.347 2.287 20 0 BEADHM CC1(C)CO[C@@H](CCC(=O)[N-]OCC2CC2)C1 ZINC000880111120 590927229 /nfs/dbraw/zinc/92/72/29/590927229.db2.gz QTEFUQZQTINZMB-NSHDSACASA-N -1 3 241.331 2.040 20 0 BEADHM C[C@H](CC(=O)Nc1cccc2n[n-]nc21)C1CC1 ZINC000880195752 590956968 /nfs/dbraw/zinc/95/69/68/590956968.db2.gz VHKLSGUORBPFFS-MRVPVSSYSA-N -1 3 244.298 2.333 20 0 BEADHM Cc1ccc(C(=O)Nc2cccc([O-])c2F)nc1 ZINC000128450953 591064926 /nfs/dbraw/zinc/06/49/26/591064926.db2.gz DHOJIJDGMDXBDT-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM CCC(CC)NCc1cc(C(=O)[O-])co1 ZINC000128666238 591147520 /nfs/dbraw/zinc/14/75/20/591147520.db2.gz UQIIPUZEGPBKDM-UHFFFAOYSA-N -1 3 211.261 2.256 20 0 BEADHM CCO[N-]C(=O)Nc1cnccc1C(F)(F)F ZINC000880967217 591155009 /nfs/dbraw/zinc/15/50/09/591155009.db2.gz JTYZDIIPZZVONA-UHFFFAOYSA-N -1 3 249.192 2.173 20 0 BEADHM CCc1ccc(NC([O-])=NOC2CCC2)nc1 ZINC000881201364 591170223 /nfs/dbraw/zinc/17/02/23/591170223.db2.gz NUIAZVJOCGRVHW-UHFFFAOYSA-N -1 3 235.287 2.250 20 0 BEADHM CCc1ccc(NC(=O)[N-]OC2CCC2)nc1 ZINC000881201364 591170227 /nfs/dbraw/zinc/17/02/27/591170227.db2.gz NUIAZVJOCGRVHW-UHFFFAOYSA-N -1 3 235.287 2.250 20 0 BEADHM CCC(=O)NCc1cc([O-])ccc1Cl ZINC000882227473 591317797 /nfs/dbraw/zinc/31/77/97/591317797.db2.gz JINWMHWPMDKDCK-UHFFFAOYSA-N -1 3 213.664 2.072 20 0 BEADHM CCCc1ccc(Cn2c([O-])coc2=O)cc1 ZINC000882274965 591323849 /nfs/dbraw/zinc/32/38/49/591323849.db2.gz IXWQDNMHDFOYKA-UHFFFAOYSA-N -1 3 233.267 2.118 20 0 BEADHM CCCC[C@H](CC)Cn1c([O-])coc1=O ZINC000882274404 591324162 /nfs/dbraw/zinc/32/41/62/591324162.db2.gz LPKKHIQTWLWLRB-VIFPVBQESA-N -1 3 213.277 2.182 20 0 BEADHM CC(C)c1cccc(Cn2c([O-])coc2=O)c1 ZINC000882277105 591325269 /nfs/dbraw/zinc/32/52/69/591325269.db2.gz WFYRZZHAIMGELF-UHFFFAOYSA-N -1 3 233.267 2.289 20 0 BEADHM C=CCSCc1cccc(-c2nnn[n-]2)c1 ZINC000095129108 598960027 /nfs/dbraw/zinc/96/00/27/598960027.db2.gz CQJUEWCEKWMSJJ-UHFFFAOYSA-N -1 3 232.312 2.286 20 0 BEADHM C=CCSCc1cccc(-c2nn[n-]n2)c1 ZINC000095129108 598960029 /nfs/dbraw/zinc/96/00/29/598960029.db2.gz CQJUEWCEKWMSJJ-UHFFFAOYSA-N -1 3 232.312 2.286 20 0 BEADHM O=c1[n-]nc(Cl)cc1NC[C@H]1C=CCC1 ZINC000882756318 591430389 /nfs/dbraw/zinc/43/03/89/591430389.db2.gz XEZZQDDVDCBXBP-ZETCQYMHSA-N -1 3 225.679 2.214 20 0 BEADHM C=CCCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000095128266 598978463 /nfs/dbraw/zinc/97/84/63/598978463.db2.gz MLBGNYIHFXRVGK-UHFFFAOYSA-N -1 3 229.287 2.245 20 0 BEADHM COc1ccc(C)cc1C=Cc1nccc(=O)[n-]1 ZINC000131743185 591649659 /nfs/dbraw/zinc/64/96/59/591649659.db2.gz HDYRCPLHWZZJRQ-GQCTYLIASA-N -1 3 242.278 2.257 20 0 BEADHM Cc1cccc([C@@H](C)C(=O)[N-]C2=NCCS2)c1 ZINC000132859860 591743197 /nfs/dbraw/zinc/74/31/97/591743197.db2.gz SAXBAMHPLALTFM-SNVBAGLBSA-N -1 3 248.351 2.318 20 0 BEADHM O=C(Nc1ccccn1)c1cc2occc2[n-]1 ZINC000132870069 591744777 /nfs/dbraw/zinc/74/47/77/591744777.db2.gz CNXAZUJNYIBJEO-UHFFFAOYSA-N -1 3 227.223 2.408 20 0 BEADHM CC1(C)CC[C@H](C(=O)NCc2cncc([O-])c2)C1 ZINC000886276218 592195304 /nfs/dbraw/zinc/19/53/04/592195304.db2.gz AOMVDGDHGUCPFZ-NSHDSACASA-N -1 3 248.326 2.230 20 0 BEADHM CC1(C)CCC[C@H]1C(=O)NCc1cncc([O-])c1 ZINC000886276561 592196785 /nfs/dbraw/zinc/19/67/85/592196785.db2.gz MEQFOSTYDVODRJ-LBPRGKRZSA-N -1 3 248.326 2.230 20 0 BEADHM CC(C)(C)/C=C\C(=O)NCc1cncc([O-])c1 ZINC000886280042 592198190 /nfs/dbraw/zinc/19/81/90/592198190.db2.gz SRPGFHVJYPXAMQ-PLNGDYQASA-N -1 3 234.299 2.006 20 0 BEADHM O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1cccc([O-])c1 ZINC000889579436 592621676 /nfs/dbraw/zinc/62/16/76/592621676.db2.gz YOGIBJDNIZHFAU-OASPWFOLSA-N -1 3 231.295 2.311 20 0 BEADHM CC(C)(CNC(=O)[O-])N1CCc2ccccc2C1 ZINC000738751383 602665465 /nfs/dbraw/zinc/66/54/65/602665465.db2.gz UUWAPPWEAKTRSR-UHFFFAOYSA-N -1 3 248.326 2.091 20 0 BEADHM C[C@@H](C(=O)[O-])N(C)Cc1cccc(F)c1Cl ZINC000167113928 598161769 /nfs/dbraw/zinc/16/17/69/598161769.db2.gz BHSYPJUXJURSRR-ZETCQYMHSA-N -1 3 245.681 2.384 20 0 BEADHM C[C@H](c1nc2ccccc2o1)N(C)CCC(=O)[O-] ZINC000820200043 598205638 /nfs/dbraw/zinc/20/56/38/598205638.db2.gz UHBPFQJYLIGCFV-SECBINFHSA-N -1 3 248.282 2.295 20 0 BEADHM CC(C)(C)CNc1ccc(-c2nn[n-]n2)cc1F ZINC000095204694 598239954 /nfs/dbraw/zinc/23/99/54/598239954.db2.gz PCMJZEHNGHLQOJ-UHFFFAOYSA-N -1 3 249.293 2.464 20 0 BEADHM CC(C)CCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000095199178 598629433 /nfs/dbraw/zinc/62/94/33/598629433.db2.gz MWNUPDHFTVVSHH-UHFFFAOYSA-N -1 3 249.293 2.464 20 0 BEADHM CC(C)CCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000095199178 598629434 /nfs/dbraw/zinc/62/94/34/598629434.db2.gz MWNUPDHFTVVSHH-UHFFFAOYSA-N -1 3 249.293 2.464 20 0 BEADHM CC(C)[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000095203465 598813627 /nfs/dbraw/zinc/81/36/27/598813627.db2.gz SWRUPIMONIZOPC-SNVBAGLBSA-N -1 3 245.330 2.347 20 0 BEADHM C[C@H]1C[C@H]1Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000095253075 599425983 /nfs/dbraw/zinc/42/59/83/599425983.db2.gz XNIFFUFIQTWMBM-IMTBSYHQSA-N -1 3 249.705 2.340 20 0 BEADHM C[C@H]1C[C@H]1Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000095253075 599425984 /nfs/dbraw/zinc/42/59/84/599425984.db2.gz XNIFFUFIQTWMBM-IMTBSYHQSA-N -1 3 249.705 2.340 20 0 BEADHM Cc1nc(CNC(C)(C)CCC(=O)[O-])cs1 ZINC000738857191 600262280 /nfs/dbraw/zinc/26/22/80/600262280.db2.gz IDTDWBFAEBMIGW-UHFFFAOYSA-N -1 3 242.344 2.185 20 0 BEADHM CN(CCNCc1cc2ccccc2o1)C(=O)[O-] ZINC000739699219 602293927 /nfs/dbraw/zinc/29/39/27/602293927.db2.gz RPQAAINRDMYFLU-UHFFFAOYSA-N -1 3 248.282 2.132 20 0 BEADHM CCC(CC)(CNC(=O)[O-])NCc1ccco1 ZINC000739253192 602570891 /nfs/dbraw/zinc/57/08/91/602570891.db2.gz CZPCFAPTGIGLDC-UHFFFAOYSA-N -1 3 240.303 2.196 20 0 BEADHM CCN(CC)[C@@H](CNC(=O)[O-])c1ccsc1 ZINC000739405777 602666382 /nfs/dbraw/zinc/66/63/82/602666382.db2.gz CYLDWVHTDQJJCT-JTQLQIEISA-N -1 3 242.344 2.399 20 0 BEADHM C[C@H](c1ccccc1)N1CCCN(C(=O)[O-])CC1 ZINC000739056439 602820165 /nfs/dbraw/zinc/82/01/65/602820165.db2.gz FAQOZAMSHRKQCU-GFCCVEGCSA-N -1 3 248.326 2.433 20 0 BEADHM C[C@@H](c1ccccc1)N1CCCN(C(=O)[O-])CC1 ZINC000739056440 602820402 /nfs/dbraw/zinc/82/04/02/602820402.db2.gz FAQOZAMSHRKQCU-LBPRGKRZSA-N -1 3 248.326 2.433 20 0 BEADHM C[C@@H]1CN([C@@H]2C=CCCC2)C[C@@H](C)N1C(=O)[O-] ZINC000739177771 602829123 /nfs/dbraw/zinc/82/91/23/602829123.db2.gz PEXODMCMRRLBGC-IJLUTSLNSA-N -1 3 238.331 2.168 20 0 BEADHM C[C@H](CNC(=O)[O-])N(C)C/C=C/c1ccccc1 ZINC000738937739 603237257 /nfs/dbraw/zinc/23/72/57/603237257.db2.gz FOJPQVSRYAEDKH-UVMWJGKXSA-N -1 3 248.326 2.288 20 0 BEADHM C/C(=C/CN1CCc2ccsc2C1)C(=O)[O-] ZINC000712302082 604938020 /nfs/dbraw/zinc/93/80/20/604938020.db2.gz KKUYVYLNNZGFAE-MBXJOHMKSA-N -1 3 237.324 2.137 20 0 BEADHM CC(C)C[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC000095241782 607730587 /nfs/dbraw/zinc/73/05/87/607730587.db2.gz PGQDYECZTAUUPQ-SECBINFHSA-N -1 3 246.318 2.108 20 0 BEADHM CC(C)C[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC000095241782 607730589 /nfs/dbraw/zinc/73/05/89/607730589.db2.gz PGQDYECZTAUUPQ-SECBINFHSA-N -1 3 246.318 2.108 20 0 BEADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@H]2C[C@H]21 ZINC000707006248 605054502 /nfs/dbraw/zinc/05/45/02/605054502.db2.gz WDORIHXOVWWKMH-HRDYMLBCSA-N -1 3 221.256 2.133 20 0 BEADHM CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000095307685 606629628 /nfs/dbraw/zinc/62/96/28/606629628.db2.gz XJBJBVWEUGKXCS-UHFFFAOYSA-N -1 3 226.692 2.242 20 0 BEADHM CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000095307685 606629630 /nfs/dbraw/zinc/62/96/30/606629630.db2.gz XJBJBVWEUGKXCS-UHFFFAOYSA-N -1 3 226.692 2.242 20 0 BEADHM C=CCNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000095128967 607125698 /nfs/dbraw/zinc/12/56/98/607125698.db2.gz CAOUTBHVMGZJHP-UHFFFAOYSA-N -1 3 235.678 2.118 20 0 BEADHM CCCN(c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000095289730 608079049 /nfs/dbraw/zinc/07/90/49/608079049.db2.gz KCIDOCYSQJEXAC-UHFFFAOYSA-N -1 3 243.314 2.246 20 0 BEADHM c1ccc(-c2nnn[n-]2)c(OC2CCCC2)c1 ZINC000095181103 608478770 /nfs/dbraw/zinc/47/87/70/608478770.db2.gz NZPZLIUFHPUBQM-UHFFFAOYSA-N -1 3 230.271 2.188 20 0 BEADHM c1ccc(-c2nn[n-]n2)c(OC2CCCC2)c1 ZINC000095181103 608478772 /nfs/dbraw/zinc/47/87/72/608478772.db2.gz NZPZLIUFHPUBQM-UHFFFAOYSA-N -1 3 230.271 2.188 20 0 BEADHM C[C@@H]1CC[C@H](Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000083829002 608867777 /nfs/dbraw/zinc/86/77/77/608867777.db2.gz YYSQUFASZXJJSH-SKDRFNHKSA-N -1 3 243.314 2.467 20 0 BEADHM C[C@@H]1CC[C@H](Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000083829002 608867784 /nfs/dbraw/zinc/86/77/84/608867784.db2.gz YYSQUFASZXJJSH-SKDRFNHKSA-N -1 3 243.314 2.467 20 0 BEADHM C[C@@H]1CCC[C@H](Cn2ccc(-c3nnn[n-]3)c2)C1 ZINC000824925587 609380032 /nfs/dbraw/zinc/38/00/32/609380032.db2.gz FKIABULRYKROAQ-MNOVXSKESA-N -1 3 245.330 2.495 20 0 BEADHM C[C@@H]1CCC[C@H](Cn2ccc(-c3nn[n-]n3)c2)C1 ZINC000824925587 609380033 /nfs/dbraw/zinc/38/00/33/609380033.db2.gz FKIABULRYKROAQ-MNOVXSKESA-N -1 3 245.330 2.495 20 0 BEADHM CCC[C@@H](C)Nc1nccc(C)c1-c1nnn[n-]1 ZINC000825233097 609525738 /nfs/dbraw/zinc/52/57/38/609525738.db2.gz NFYMWAIETTVSDX-SECBINFHSA-N -1 3 246.318 2.171 20 0 BEADHM CCC[C@@H](C)Nc1nccc(C)c1-c1nn[n-]n1 ZINC000825233097 609525740 /nfs/dbraw/zinc/52/57/40/609525740.db2.gz NFYMWAIETTVSDX-SECBINFHSA-N -1 3 246.318 2.171 20 0 BEADHM CC(C)(CC1CCC1)[N-]S(=O)(=O)C(F)F ZINC001259964184 992072420 /nfs/dbraw/zinc/07/24/20/992072420.db2.gz GDCANWDGFSVPBW-UHFFFAOYSA-N -1 3 241.303 2.097 20 0 BEADHM CSC[C@H](C)NCc1cc(C(=O)[O-])c(C)o1 ZINC000235059954 631912472 /nfs/dbraw/zinc/91/24/72/631912472.db2.gz WGCOBSZCKSOTDI-ZETCQYMHSA-N -1 3 243.328 2.127 20 0 BEADHM Cc1nc(N[C@@H](C)CC(F)(F)F)cc(=O)[n-]1 ZINC000235102356 631951484 /nfs/dbraw/zinc/95/14/84/631951484.db2.gz ZCNUPVQWLCKJIP-YFKPBYRVSA-N -1 3 235.209 2.243 20 0 BEADHM Cc1nc(NCCc2ccsc2)cc(=O)[n-]1 ZINC000165779159 633099086 /nfs/dbraw/zinc/09/90/86/633099086.db2.gz NHSLGMVPBWSQND-UHFFFAOYSA-N -1 3 235.312 2.207 20 0 BEADHM C[C@@H](NCc1ccn(C)n1)c1cc([O-])cc(F)c1 ZINC000925658970 634225021 /nfs/dbraw/zinc/22/50/21/634225021.db2.gz AILVCJBGUNPZKX-SECBINFHSA-N -1 3 249.289 2.116 20 0 BEADHM Cc1noc([C@H](C)OC(=O)c2ccc([O-])cc2)n1 ZINC000028130793 635476865 /nfs/dbraw/zinc/47/68/65/635476865.db2.gz VJXJPICKVRVZKL-ZETCQYMHSA-N -1 3 248.238 2.002 20 0 BEADHM C[C@@H](CC(=O)[N-]OCc1ccccn1)C1CC1 ZINC000909529646 636181408 /nfs/dbraw/zinc/18/14/08/636181408.db2.gz OUBKWECFUDWHBU-JTQLQIEISA-N -1 3 234.299 2.066 20 0 BEADHM CCC[C@H](C)CC(=O)[N-]OCc1ccccn1 ZINC000909529715 636183280 /nfs/dbraw/zinc/18/32/80/636183280.db2.gz QAZWGFFKDWCIKX-NSHDSACASA-N -1 3 236.315 2.456 20 0 BEADHM CC(C)(CNCc1nc2ccccc2o1)C(=O)[O-] ZINC000901507555 637258129 /nfs/dbraw/zinc/25/81/29/637258129.db2.gz YUJVNCBPGFDPDO-UHFFFAOYSA-N -1 3 248.282 2.028 20 0 BEADHM CC(C)c1c[n-]c(S(=O)(=O)C/C=C/Cl)n1 ZINC000905277028 637733297 /nfs/dbraw/zinc/73/32/97/637733297.db2.gz YNVQOXFGXXUTFG-ONEGZZNKSA-N -1 3 248.735 2.059 20 0 BEADHM Cc1ccc(C=C2SC(=O)[N-]C2=O)c(F)c1 ZINC000874929349 639232583 /nfs/dbraw/zinc/23/25/83/639232583.db2.gz ABACOWXUHNDHJX-UITAMQMPSA-N -1 3 237.255 2.458 20 0 BEADHM C/C=C/COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913301913 640347591 /nfs/dbraw/zinc/34/75/91/640347591.db2.gz GKDHKSUFKIPNQC-NSCUHMNNSA-N -1 3 232.239 2.403 20 0 BEADHM C/C=C/COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913301913 640347596 /nfs/dbraw/zinc/34/75/96/640347596.db2.gz GKDHKSUFKIPNQC-NSCUHMNNSA-N -1 3 232.239 2.403 20 0 BEADHM CC(C)([N-]C(=O)C(F)(F)C(F)F)C1CC1 ZINC000226695241 640791811 /nfs/dbraw/zinc/79/18/11/640791811.db2.gz WUUAKUMBHPUODM-UHFFFAOYSA-N -1 3 227.201 2.192 20 0 BEADHM CC(C)=CCNCc1cc(C(=O)[O-])oc1C ZINC000229184555 640931427 /nfs/dbraw/zinc/93/14/27/640931427.db2.gz WMYCWJTZSRUYQE-UHFFFAOYSA-N -1 3 223.272 2.342 20 0 BEADHM Cc1nc(NC[C@@H]2CC[C@H](C)C2)cc(=O)[n-]1 ZINC000230430925 641055073 /nfs/dbraw/zinc/05/50/73/641055073.db2.gz IXIRTHORSDAKGB-WCBMZHEXSA-N -1 3 221.304 2.339 20 0 BEADHM COCCO[N-]C(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC000934172011 641096037 /nfs/dbraw/zinc/09/60/37/641096037.db2.gz LRBNQQKQGGKXPJ-ZDUSSCGKSA-N -1 3 241.331 2.207 20 0 BEADHM CC1(C(=O)[N-]OCCC(F)(F)F)CC=CC1 ZINC000935501814 641420898 /nfs/dbraw/zinc/42/08/98/641420898.db2.gz NWQYFSJQMMAQKD-UHFFFAOYSA-N -1 3 237.221 2.343 20 0 BEADHM CCCCC1(C(=O)[N-]OC[C@@H]2CCOC2)CC1 ZINC000935594471 641436196 /nfs/dbraw/zinc/43/61/96/641436196.db2.gz RIWCTKIMAINTJD-LLVKDONJSA-N -1 3 241.331 2.041 20 0 BEADHM CSCCO[N-]C(=O)C[C@@H]1CC=CCC1 ZINC000935755437 641476261 /nfs/dbraw/zinc/47/62/61/641476261.db2.gz IVFIDCOZGJYVBA-SNVBAGLBSA-N -1 3 229.345 2.144 20 0 BEADHM CC1(C)CCN(Cc2cccc(C(=O)[O-])n2)C1 ZINC000232797345 641677567 /nfs/dbraw/zinc/67/75/67/641677567.db2.gz XXEVQGYJNQQKLD-UHFFFAOYSA-N -1 3 234.299 2.012 20 0 BEADHM O=C(CC1CCCCC1)[N-]OC[C@H]1CCOC1 ZINC000187965446 641735870 /nfs/dbraw/zinc/73/58/70/641735870.db2.gz LHXLYHGPQRUMIU-LBPRGKRZSA-N -1 3 241.331 2.041 20 0 BEADHM Cc1cccc(COC(=O)c2cncc([O-])c2)c1 ZINC000731914557 641819509 /nfs/dbraw/zinc/81/95/09/641819509.db2.gz NACLZIAPDBUWDD-UHFFFAOYSA-N -1 3 243.262 2.453 20 0 BEADHM Cc1ccc(C(=O)Nc2ccc(F)nc2)c([O-])c1 ZINC000153954632 641927867 /nfs/dbraw/zinc/92/78/67/641927867.db2.gz MAUKWJKPHOAJQZ-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Cc1[n-]n(CC2CCCCC2)c(=O)c1F ZINC000917345612 642045216 /nfs/dbraw/zinc/04/52/16/642045216.db2.gz BPNWMRWMDOGXIM-SNVBAGLBSA-N -1 3 212.268 2.123 20 0 BEADHM Cc1[n-]n(Cc2ccccc2C)c(=O)c1F ZINC000917345638 642045992 /nfs/dbraw/zinc/04/59/92/642045992.db2.gz CSEFDUZXIHMDHD-NSHDSACASA-N -1 3 220.247 2.051 20 0 BEADHM O=C(CC1(O)CCCCC1)[N-]OC1CCCC1 ZINC000305779032 642692366 /nfs/dbraw/zinc/69/23/66/642692366.db2.gz RHNXWCJHKCJZGZ-UHFFFAOYSA-N -1 3 241.331 2.062 20 0 BEADHM O=C([N-]c1ccon1)c1ccc(Cl)o1 ZINC000179520379 642720816 /nfs/dbraw/zinc/72/08/16/642720816.db2.gz OWQMHSDFFSNBKP-UHFFFAOYSA-N -1 3 212.592 2.173 20 0 BEADHM C[C@H]1C[C@@H]1COC(=O)Cc1ccc([O-])c(F)c1 ZINC000859713174 643229117 /nfs/dbraw/zinc/22/91/17/643229117.db2.gz WXLDZOVJRVEOOB-WCBMZHEXSA-N -1 3 238.258 2.273 20 0 BEADHM CCOCCO[N-]C(=O)CC1CCCCCC1 ZINC000184801730 643240806 /nfs/dbraw/zinc/24/08/06/643240806.db2.gz CMGCGVZJGJTVIC-UHFFFAOYSA-N -1 3 243.347 2.431 20 0 BEADHM CCCSc1ccccc1-c1nnn[n-]1 ZINC000095290626 643344975 /nfs/dbraw/zinc/34/49/75/643344975.db2.gz CRRLODVVSQBIGG-UHFFFAOYSA-N -1 3 220.301 2.369 20 0 BEADHM CCCSc1ccccc1-c1nn[n-]n1 ZINC000095290626 643344984 /nfs/dbraw/zinc/34/49/84/643344984.db2.gz CRRLODVVSQBIGG-UHFFFAOYSA-N -1 3 220.301 2.369 20 0 BEADHM CO[C@H]1CCC[C@H](CC(=O)[N-]OC2CCC2)C1 ZINC000812789105 643377835 /nfs/dbraw/zinc/37/78/35/643377835.db2.gz MJKSTCRSZRJEHG-JQWIXIFHSA-N -1 3 241.331 2.182 20 0 BEADHM O=C([O-])CC[C@@H]1CCCN(C/C=C/Cl)C1 ZINC000049842183 643475430 /nfs/dbraw/zinc/47/54/30/643475430.db2.gz LLPLVLYYCVYBPR-LFKJVQOCSA-N -1 3 231.723 2.316 20 0 BEADHM CC(F)(F)CCCOC(=O)c1cncc([O-])c1 ZINC000922437771 643993058 /nfs/dbraw/zinc/99/30/58/643993058.db2.gz PNNQOPAADPSUGM-UHFFFAOYSA-N -1 3 245.225 2.379 20 0 BEADHM O=C(OCCOC1CC1)c1cc2occc2[n-]1 ZINC000922668447 644063320 /nfs/dbraw/zinc/06/33/20/644063320.db2.gz FEWOMXTYKAMZDM-UHFFFAOYSA-N -1 3 235.239 2.097 20 0 BEADHM O=C([N-]CCCSCC1CC1)C(F)(F)F ZINC000091619004 644633565 /nfs/dbraw/zinc/63/35/65/644633565.db2.gz BIGDDQQWMJQBNL-UHFFFAOYSA-N -1 3 241.278 2.198 20 0 BEADHM CCCCCCC(=O)[N-]OCC(F)F ZINC000759338623 644640871 /nfs/dbraw/zinc/64/08/71/644640871.db2.gz PPUVFSUITUWIKL-UHFFFAOYSA-N -1 3 209.236 2.270 20 0 BEADHM O=C(CCCC(F)(F)F)[N-]OCC(F)F ZINC000759338631 644640910 /nfs/dbraw/zinc/64/09/10/644640910.db2.gz QAJPKEPSKRJMGO-UHFFFAOYSA-N -1 3 235.152 2.032 20 0 BEADHM C[C@H]1CC[C@@H](CCC(=O)[N-]OC2CCCC2)O1 ZINC000774866341 644699045 /nfs/dbraw/zinc/69/90/45/644699045.db2.gz UDRSJETUDQZUMW-QWRGUYRKSA-N -1 3 241.331 2.325 20 0 BEADHM CCC(=CC(=O)NCc1ncccc1[O-])CC ZINC000792609553 644799149 /nfs/dbraw/zinc/79/91/49/644799149.db2.gz BTBRJCRVYHFXKN-UHFFFAOYSA-N -1 3 234.299 2.150 20 0 BEADHM C[C@@H]1CC/C(=C/C(=O)NCc2ncccc2[O-])C1 ZINC000792611129 644799280 /nfs/dbraw/zinc/79/92/80/644799280.db2.gz XHPDNTJKRWTRJY-UBYNWHESSA-N -1 3 246.310 2.150 20 0 BEADHM CCc1ccc(CC(=O)[N-]OCC2CC2)cc1 ZINC000817339240 644972080 /nfs/dbraw/zinc/97/20/80/644972080.db2.gz ARIUDIFXJNLTOD-UHFFFAOYSA-N -1 3 233.311 2.249 20 0 BEADHM O=C(C[C@@H]1CCC(F)(F)C1)[N-]OCC1CC1 ZINC000817339420 644973286 /nfs/dbraw/zinc/97/32/86/644973286.db2.gz HZCSUZYZOBINOX-VIFPVBQESA-N -1 3 233.258 2.270 20 0 BEADHM O=C(CCc1ccoc1)[N-]OCCC1CC1 ZINC000817404001 644979639 /nfs/dbraw/zinc/97/96/39/644979639.db2.gz UUXDLEAZXBSBAX-UHFFFAOYSA-N -1 3 223.272 2.060 20 0 BEADHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000867342368 645312562 /nfs/dbraw/zinc/31/25/62/645312562.db2.gz RRHYXGCTIAOOHR-RGOKHQFPSA-N -1 3 232.283 2.018 20 0 BEADHM Cc1ccc(C(=O)N[C@H]2C=CCC2)c([O-])c1 ZINC000829342826 645913705 /nfs/dbraw/zinc/91/37/05/645913705.db2.gz LLGAGCUKZJIVLU-JTQLQIEISA-N -1 3 217.268 2.149 20 0 BEADHM C[C@@H](NCc1cc[nH]n1)c1cc([O-])cc(F)c1 ZINC000924994945 646155992 /nfs/dbraw/zinc/15/59/92/646155992.db2.gz YMTMCHBLQNEVSD-MRVPVSSYSA-N -1 3 235.262 2.105 20 0 BEADHM CCCCN([O-])C(=O)Cc1cccc(OC)c1 ZINC000038764763 711762193 /nfs/dbraw/zinc/76/21/93/711762193.db2.gz ZHOUACZICKGICQ-UHFFFAOYSA-N -1 3 237.299 2.256 20 0 BEADHM Cc1csc(CNc2cc(=O)[n-]c(C)n2)c1 ZINC000379027519 712367613 /nfs/dbraw/zinc/36/76/13/712367613.db2.gz ANWSQHWXFNPYQQ-UHFFFAOYSA-N -1 3 235.312 2.473 20 0 BEADHM Cc1nc(NCC2(C)CC(F)(F)C2)cc(=O)[n-]1 ZINC000720990285 712885594 /nfs/dbraw/zinc/88/55/94/712885594.db2.gz QVRVJTSEIGLGTM-UHFFFAOYSA-N -1 3 243.257 2.338 20 0 BEADHM CCN=c1[n-]cc(C(=O)OCCC(C)C)s1 ZINC000381491547 710646392 /nfs/dbraw/zinc/64/63/92/710646392.db2.gz YAPNJFZWVNGQDZ-UHFFFAOYSA-N -1 3 242.344 2.200 20 0 BEADHM CC/C=C/CNCc1cc(C(=O)[O-])oc1C ZINC000384731278 710995150 /nfs/dbraw/zinc/99/51/50/710995150.db2.gz JQDGPMFTUVUXPL-SNAWJCMRSA-N -1 3 223.272 2.342 20 0 BEADHM Cc1nc(NC[C@H]2CCCC2(F)F)cc(=O)[n-]1 ZINC000390884599 711136220 /nfs/dbraw/zinc/13/62/20/711136220.db2.gz ZPOQDJKOOSHGGJ-MRVPVSSYSA-N -1 3 243.257 2.338 20 0 BEADHM C[C@@H](CCC1CC1)Nc1cc(=O)[n-]cn1 ZINC000398033541 711399292 /nfs/dbraw/zinc/39/92/92/711399292.db2.gz LNFAJHIVYCYRQH-QMMMGPOBSA-N -1 3 207.277 2.173 20 0 BEADHM CC[C@@]1(C)CCN(c2cc(=O)[n-]c(C)n2)C1 ZINC000399338135 711429142 /nfs/dbraw/zinc/42/91/42/711429142.db2.gz SYBXTXKFZSCFEP-LBPRGKRZSA-N -1 3 221.304 2.117 20 0 BEADHM Cc1cc(C)c(CNc2cc(=O)[n-]c(C)n2)cn1 ZINC000396966046 711374481 /nfs/dbraw/zinc/37/44/81/711374481.db2.gz BRIHPUFESNAVIJ-UHFFFAOYSA-N -1 3 244.298 2.115 20 0 BEADHM C[C@H](CCC1CC1)Nc1cc(=O)[n-]cn1 ZINC000398033539 711708603 /nfs/dbraw/zinc/70/86/03/711708603.db2.gz LNFAJHIVYCYRQH-MRVPVSSYSA-N -1 3 207.277 2.173 20 0 BEADHM O=C([O-])C[C@H]1CCCN1Cc1ccc(Cl)o1 ZINC000257649048 711723077 /nfs/dbraw/zinc/72/30/77/711723077.db2.gz FJFYPUSQCPGLDE-MRVPVSSYSA-N -1 3 243.690 2.372 20 0 BEADHM CCc1nn(C)cc1NCc1ccc([O-])c(F)c1 ZINC000232423788 711760504 /nfs/dbraw/zinc/76/05/04/711760504.db2.gz RJEDNBOQJPRCQR-UHFFFAOYSA-N -1 3 249.289 2.439 20 0 BEADHM Cc1nonc1[N-]C(=O)c1ccc(Cl)s1 ZINC000060855185 711836360 /nfs/dbraw/zinc/83/63/60/711836360.db2.gz RUBCVSHAFNIPJN-UHFFFAOYSA-N -1 3 243.675 2.345 20 0 BEADHM COc1cccc([O-])c1C(=O)NCC1=CCCC1 ZINC000702342591 712045848 /nfs/dbraw/zinc/04/58/48/712045848.db2.gz OOOOTAKQMZIRDQ-UHFFFAOYSA-N -1 3 247.294 2.241 20 0 BEADHM O=C([O-])c1coc(CNCC2=CCCC2)c1 ZINC000702386165 712049915 /nfs/dbraw/zinc/04/99/15/712049915.db2.gz VZLFGYSVRXNXGQ-UHFFFAOYSA-N -1 3 221.256 2.178 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CCC1(C)C ZINC000706860506 712157208 /nfs/dbraw/zinc/15/72/08/712157208.db2.gz ZLCKBRCATKCYIB-UHFFFAOYSA-N -1 3 235.283 2.025 20 0 BEADHM CC(C)C(=O)[N-]OCCCC(F)(F)F ZINC000710177722 712246905 /nfs/dbraw/zinc/24/69/05/712246905.db2.gz OPZBOWIOEBVXSV-UHFFFAOYSA-N -1 3 213.199 2.033 20 0 BEADHM C[C@@H](CC1CCC1)NCc1cc(C(=O)[O-])no1 ZINC000710192544 712248039 /nfs/dbraw/zinc/24/80/39/712248039.db2.gz ATRBTNPECALLDS-QMMMGPOBSA-N -1 3 238.287 2.041 20 0 BEADHM O=C(c1ccccc1[O-])N1CCC[C@H](CF)C1 ZINC000711450348 712301748 /nfs/dbraw/zinc/30/17/48/712301748.db2.gz GZNRFTKLSCLXNL-SNVBAGLBSA-N -1 3 237.274 2.214 20 0 BEADHM O=C([O-])c1ccc(CNCC2=CCCCC2)nc1 ZINC000379590532 712389762 /nfs/dbraw/zinc/38/97/62/712389762.db2.gz UQPZENOVZLLMCT-UHFFFAOYSA-N -1 3 246.310 2.370 20 0 BEADHM O=C([O-])c1cc(CNCCCCC2CC2)on1 ZINC000716386552 712557663 /nfs/dbraw/zinc/55/76/63/712557663.db2.gz NBTGKTQZKMNUIR-UHFFFAOYSA-N -1 3 238.287 2.043 20 0 BEADHM CN(CCCF)C(=O)c1cc([O-])ccc1Cl ZINC000716737529 712571487 /nfs/dbraw/zinc/57/14/87/712571487.db2.gz WMKMUAFYJWCMLD-UHFFFAOYSA-N -1 3 245.681 2.477 20 0 BEADHM C[C@@H]1CC[C@H](OC(=O)c2cncc([O-])c2)C1 ZINC000815209510 712588561 /nfs/dbraw/zinc/58/85/61/712588561.db2.gz YEJGNOUADMFEOC-KCJUWKMLSA-N -1 3 221.256 2.133 20 0 BEADHM C[C@H]1CC[C@H](OC(=O)c2cncc([O-])c2)C1 ZINC000815209512 712588570 /nfs/dbraw/zinc/58/85/70/712588570.db2.gz YEJGNOUADMFEOC-KWQFWETISA-N -1 3 221.256 2.133 20 0 BEADHM CCCOC(=O)Nc1ccc([O-])cc1F ZINC000308809775 959507908 /nfs/dbraw/zinc/50/79/08/959507908.db2.gz GXYIQEZNRSKHIY-UHFFFAOYSA-N -1 3 213.208 2.490 20 0 BEADHM CN(Cc1ccc([O-])c(F)c1F)C1CC1 ZINC001140889167 960045880 /nfs/dbraw/zinc/04/58/80/960045880.db2.gz ACEIIVOWNSHFGQ-UHFFFAOYSA-N -1 3 213.227 2.265 20 0 BEADHM Cc1nc(NCCSC(C)(C)C)cc(=O)[n-]1 ZINC000397380926 960466615 /nfs/dbraw/zinc/46/66/15/960466615.db2.gz FWGDUGVQKCRMRX-UHFFFAOYSA-N -1 3 241.360 2.434 20 0 BEADHM CCC[C@@H](C)NCc1ncc(C(=O)[O-])s1 ZINC000308895958 963316590 /nfs/dbraw/zinc/31/65/90/963316590.db2.gz IVLUSNVKSWVYOB-SSDOTTSWSA-N -1 3 228.317 2.120 20 0 BEADHM CCC1(CNCc2ncc(C(=O)[O-])s2)CC1 ZINC000309413996 963346657 /nfs/dbraw/zinc/34/66/57/963346657.db2.gz GRAGZBWMRXVBFJ-UHFFFAOYSA-N -1 3 240.328 2.121 20 0 BEADHM [O-]c1ccc(Nc2ncccn2)c(F)c1F ZINC001211998052 964146085 /nfs/dbraw/zinc/14/60/85/964146085.db2.gz YJORBYBNVCJRLP-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM CCC[C@@H](O)CNc1c([O-])cc(F)cc1F ZINC001252791682 968972151 /nfs/dbraw/zinc/97/21/51/968972151.db2.gz XSJAMTYTHQAWPX-MRVPVSSYSA-N -1 3 231.242 2.243 20 0 BEADHM CC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000148383051 1166298967 /nfs/dbraw/zinc/29/89/67/1166298967.db2.gz CSYYAHYPKALVSK-UHFFFAOYSA-N -1 3 216.288 2.455 20 0 BEADHM CC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000148383051 1166298978 /nfs/dbraw/zinc/29/89/78/1166298978.db2.gz CSYYAHYPKALVSK-UHFFFAOYSA-N -1 3 216.288 2.455 20 0 BEADHM CCOC(=O)CCc1ccc(F)c([O-])c1 ZINC000238272185 1166839784 /nfs/dbraw/zinc/83/97/84/1166839784.db2.gz SBSPSRSJPJROJF-UHFFFAOYSA-N -1 3 212.220 2.027 20 0 BEADHM CC1(C)C[C@@H](Oc2ccnc(=S)[n-]2)CCO1 ZINC001226939857 1167197812 /nfs/dbraw/zinc/19/78/12/1167197812.db2.gz JKXVFLRBMKDYSP-QMMMGPOBSA-N -1 3 240.328 2.102 20 0 BEADHM Cc1cc(=O)[n-]c(NCc2ccsc2)n1 ZINC000309167521 1167261689 /nfs/dbraw/zinc/26/16/89/1167261689.db2.gz JTMHCMYVBNHJHJ-UHFFFAOYSA-N -1 3 221.285 2.164 20 0 BEADHM Cc1cncc(Nc2ncc(F)cc2[O-])c1 ZINC001174752565 977049893 /nfs/dbraw/zinc/04/98/93/977049893.db2.gz AMRKSKJWNGDYKJ-UHFFFAOYSA-N -1 3 219.219 2.373 20 0 BEADHM [O-]c1ccc(F)c(Nc2ccnnc2)c1F ZINC001175262356 977362369 /nfs/dbraw/zinc/36/23/69/977362369.db2.gz FMKWJNUDSILUPP-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM Cc1cc(=O)[n-]c(NCC[C@H]2CCSC2)n1 ZINC001337236593 978234143 /nfs/dbraw/zinc/23/41/43/978234143.db2.gz JGYNYRYVNCEHQD-VIFPVBQESA-N -1 3 239.344 2.046 20 0 BEADHM CCOC(=O)C[C@@H](C)Oc1cccc([O-])c1F ZINC001233868639 978716346 /nfs/dbraw/zinc/71/63/46/978716346.db2.gz VRIJXPBVRHQQLM-MRVPVSSYSA-N -1 3 242.246 2.252 20 0 BEADHM C[C@H]1C[C@H](Oc2cccc([O-])c2F)CCO1 ZINC001233872580 978721443 /nfs/dbraw/zinc/72/14/43/978721443.db2.gz VUOUSMVTARNQFB-DTWKUNHWSA-N -1 3 226.247 2.478 20 0 BEADHM C[C@H]1OCC[C@H]1COc1nc2ccsc2[n-]1 ZINC001234851433 978915449 /nfs/dbraw/zinc/91/54/49/978915449.db2.gz KCQYFTQWDTXKPW-SFYZADRCSA-N -1 3 238.312 2.428 20 0 BEADHM C[C@H]1OCC[C@H]1COc1nc2sccc2[n-]1 ZINC001234851433 978915452 /nfs/dbraw/zinc/91/54/52/978915452.db2.gz KCQYFTQWDTXKPW-SFYZADRCSA-N -1 3 238.312 2.428 20 0 BEADHM C[C@@H]1CN(Cc2ccc(F)c([O-])c2)C[C@@H]1F ZINC001236700980 979697617 /nfs/dbraw/zinc/69/76/17/979697617.db2.gz ACQMBJOCVRZLHW-KCJUWKMLSA-N -1 3 227.254 2.321 20 0 BEADHM [O-]c1cccnc1CNc1cncnc1C1CC1 ZINC001169731562 1168500865 /nfs/dbraw/zinc/50/08/65/1168500865.db2.gz AJQATWJIEPDESI-UHFFFAOYSA-N -1 3 242.282 2.067 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC[Si](C)(C)C ZINC001188658672 980679445 /nfs/dbraw/zinc/67/94/45/980679445.db2.gz FGJGINDIXAVEPF-UHFFFAOYSA-N -1 3 237.375 2.308 20 0 BEADHM CCCCCOC(=O)Nc1cc(=O)[n-]c(C)n1 ZINC001193739218 981419885 /nfs/dbraw/zinc/41/98/85/981419885.db2.gz CPKRYSQNPOERCQ-UHFFFAOYSA-N -1 3 239.275 2.229 20 0 BEADHM [O-]c1cccc2sc(Nc3ncc[nH]3)nc21 ZINC001176080189 1168702887 /nfs/dbraw/zinc/70/28/87/1168702887.db2.gz QRKPCUARGSPUNG-UHFFFAOYSA-N -1 3 232.268 2.469 20 0 BEADHM Cc1cnc(-c2ccccc2[O-])c(C)n1 ZINC001241001792 982085552 /nfs/dbraw/zinc/08/55/52/982085552.db2.gz HIQSJKRNVIDMEX-UHFFFAOYSA-N -1 3 200.241 2.466 20 0 BEADHM COC(=O)Cc1cc(C)c([O-])c(Cl)c1 ZINC000142872439 1168800000 /nfs/dbraw/zinc/80/00/00/1168800000.db2.gz ZSUWEUKTOVKIEI-UHFFFAOYSA-N -1 3 214.648 2.070 20 0 BEADHM C[C@@H](N[C@@H](C)CC(=O)[O-])c1cccnc1Cl ZINC001589004892 982569319 /nfs/dbraw/zinc/56/93/19/982569319.db2.gz UNFASXKTQJNHQE-JGVFFNPUSA-N -1 3 242.706 2.249 20 0 BEADHM C[C@H](CC(=O)[O-])N[C@H](C)c1cc(O)ccc1F ZINC001589005063 982571811 /nfs/dbraw/zinc/57/18/11/982571811.db2.gz ZCSSGHROXXEILA-HTQZYQBOSA-N -1 3 241.262 2.045 20 0 BEADHM CCC(CC)(CNc1nc(C)cc(=O)[n-]1)OC ZINC001354197887 983191216 /nfs/dbraw/zinc/19/12/16/983191216.db2.gz AEVVIALXWBNSIW-UHFFFAOYSA-N -1 3 239.319 2.108 20 0 BEADHM CC(C)NC(=S)Nc1c([O-])cccc1F ZINC001200785853 983365489 /nfs/dbraw/zinc/36/54/89/983365489.db2.gz YGUBMTBARQTFMG-UHFFFAOYSA-N -1 3 228.292 2.226 20 0 BEADHM CCC[C@@H](CC)[NH2+]CCCCP(=O)([O-])[O-] ZINC001257246918 1169072351 /nfs/dbraw/zinc/07/23/51/1169072351.db2.gz GTEQCMNCDJEWKT-SNVBAGLBSA-N -1 3 237.280 2.113 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@@H]1CCCC[C@H]1C ZINC001226070902 974776672 /nfs/dbraw/zinc/77/66/72/974776672.db2.gz IHHGFXNTTFLROY-PSASIEDQSA-N -1 3 222.288 2.448 20 0 BEADHM [O-]c1cccnc1CN1CC2(C1)CC(F)(F)C2 ZINC001138390573 1169356744 /nfs/dbraw/zinc/35/67/44/1169356744.db2.gz BIMPOCGAHQUGNT-UHFFFAOYSA-N -1 3 240.253 2.018 20 0 BEADHM CSCCN(C)Cc1cc(F)c([O-])cc1F ZINC001144660038 972937853 /nfs/dbraw/zinc/93/78/53/972937853.db2.gz VIHKZEFLVFAQPL-UHFFFAOYSA-N -1 3 247.310 2.465 20 0 BEADHM Cc1cc(Nc2cc(F)c([O-])cc2F)nn1C ZINC001215570562 970789424 /nfs/dbraw/zinc/78/94/24/970789424.db2.gz SMLVVPXWPKSGAE-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM Cn1ccc2nc(-c3cccc([O-])c3F)cnc21 ZINC001243545776 970793919 /nfs/dbraw/zinc/79/39/19/970793919.db2.gz BJSHSKFIBZLBCZ-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM COc1cncc([N-]c2nc(C)ns2)c1C ZINC001215730094 970818074 /nfs/dbraw/zinc/81/80/74/970818074.db2.gz CDTTUMLUKLMSDR-UHFFFAOYSA-N -1 3 236.300 2.302 20 0 BEADHM CC(C)Cc1nnc(-c2cc(Cl)n[n-]2)o1 ZINC001256490087 970852873 /nfs/dbraw/zinc/85/28/73/970852873.db2.gz DQYSVAINMOGKPV-UHFFFAOYSA-N -1 3 226.667 2.312 20 0 BEADHM CSc1cccc(F)c1[N-]c1ncn(C)n1 ZINC001215822419 970855147 /nfs/dbraw/zinc/85/51/47/970855147.db2.gz ZTVDDGNVPRVUOE-UHFFFAOYSA-N -1 3 238.291 2.420 20 0 BEADHM O=c1[n-]cncc1Nc1c(O)cccc1Cl ZINC001215984156 970885176 /nfs/dbraw/zinc/88/51/76/970885176.db2.gz CIZURKZHQRVDQA-UHFFFAOYSA-N -1 3 237.646 2.285 20 0 BEADHM Cn1ccc(Nc2cc(F)cc(F)c2[O-])n1 ZINC001210356868 1169524710 /nfs/dbraw/zinc/52/47/10/1169524710.db2.gz UBCMLIXORZKKFO-UHFFFAOYSA-N -1 3 225.198 2.148 20 0 BEADHM COc1cccc([O-])c1C(=O)N[C@@H]1CCC1(C)C ZINC000405306744 971233218 /nfs/dbraw/zinc/23/32/18/971233218.db2.gz XWTLHQLRFFOXJE-LLVKDONJSA-N -1 3 249.310 2.319 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CC[C@H](C)[C@H]1C ZINC000405326478 971235696 /nfs/dbraw/zinc/23/56/96/971235696.db2.gz UPLKSPHBCNEPBE-VHSXEESVSA-N -1 3 249.310 2.271 20 0 BEADHM COc1cccc([O-])c1C(=O)NCC=C(C)C ZINC000405330034 971237510 /nfs/dbraw/zinc/23/75/10/971237510.db2.gz WGVMWTDDZWNXLN-UHFFFAOYSA-N -1 3 235.283 2.097 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CCC=C(C)C1 ZINC000405394399 971250054 /nfs/dbraw/zinc/25/00/54/971250054.db2.gz NQDYEGFKLDKBLW-UHFFFAOYSA-N -1 3 247.294 2.193 20 0 BEADHM CC[C@H](NC(=O)c1c([O-])cccc1OC)C1CC1 ZINC000405535185 971271441 /nfs/dbraw/zinc/27/14/41/971271441.db2.gz ZLMZGGKNBLLJQM-JTQLQIEISA-N -1 3 249.310 2.319 20 0 BEADHM CCCCCC[C@@H](C)Nc1cnc(C)[n-]c1=O ZINC001257359607 971276187 /nfs/dbraw/zinc/27/61/87/971276187.db2.gz UWRIKELPDXCLMC-PWSUYJOCSA-N -1 3 237.347 2.333 20 0 BEADHM Cn1cncc1-c1ccc(Cl)cc1[O-] ZINC001244469518 971285765 /nfs/dbraw/zinc/28/57/65/971285765.db2.gz LALKELGYPYVSIF-UHFFFAOYSA-N -1 3 208.648 2.446 20 0 BEADHM Cc1cc(-c2cncc3nnoc32)cc([O-])c1F ZINC001244524447 971323395 /nfs/dbraw/zinc/32/33/95/971323395.db2.gz AEJMZCCCXVUZIQ-UHFFFAOYSA-N -1 3 245.213 2.438 20 0 BEADHM Cc1nc(NCc2ncccc2[O-])ccc1F ZINC001158770413 971448553 /nfs/dbraw/zinc/44/85/53/971448553.db2.gz BMSBAWLYCPLOLV-UHFFFAOYSA-N -1 3 233.246 2.242 20 0 BEADHM [O-]c1cncc(-c2nnc(C3CCCC3)o2)c1 ZINC001257560445 971453849 /nfs/dbraw/zinc/45/38/49/971453849.db2.gz PSRPTPDKSOMRIP-UHFFFAOYSA-N -1 3 231.255 2.495 20 0 BEADHM Cc1conc1C(=O)[N-]c1nocc1C1CC1 ZINC001133284110 971493279 /nfs/dbraw/zinc/49/32/79/971493279.db2.gz GBIWXQHYEKIBCE-UHFFFAOYSA-N -1 3 233.227 2.101 20 0 BEADHM CC(C)(C)Cc1nnc(-c2ccc([O-])c(=O)[nH]2)o1 ZINC001257888867 971521363 /nfs/dbraw/zinc/52/13/63/971521363.db2.gz GRKIQDWGPMVRKQ-UHFFFAOYSA-N -1 3 249.270 2.131 20 0 BEADHM O=C1CCc2cc([O-])c(OC3CCC3)cc21 ZINC001228859086 1169641704 /nfs/dbraw/zinc/64/17/04/1169641704.db2.gz VRNFUXCECCITBD-UHFFFAOYSA-N -1 3 218.252 2.452 20 0 BEADHM Cc1ccc(NCc2ncccc2[O-])cn1 ZINC000309884760 971875576 /nfs/dbraw/zinc/87/55/76/971875576.db2.gz XNNVHNMXSXPWML-UHFFFAOYSA-N -1 3 215.256 2.103 20 0 BEADHM CCCC[C@H](C)N(C)Cc1cc(C(=O)[O-])no1 ZINC000384058328 971908566 /nfs/dbraw/zinc/90/85/66/971908566.db2.gz XQMWVDNQIZAPOD-VIFPVBQESA-N -1 3 240.303 2.383 20 0 BEADHM Nc1cncc(-c2cc([O-])cc(F)c2)c1 ZINC001241271642 1169715804 /nfs/dbraw/zinc/71/58/04/1169715804.db2.gz IKCVIIDUDFTVDD-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM [O-]c1cc(F)cc(-c2c[nH]cc3ncnc2-3)c1 ZINC001241271293 1169716505 /nfs/dbraw/zinc/71/65/05/1169716505.db2.gz ATBDNZBBIFEWJG-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM O=c1cc(N2CCC[C@@H](C3CCC3)C2)nc[n-]1 ZINC000692957939 957082130 /nfs/dbraw/zinc/08/21/30/957082130.db2.gz JVCPHKVQIXURDH-LLVKDONJSA-N -1 3 233.315 2.199 20 0 BEADHM C[C@@H](CN(C)Cc1cccc(F)c1F)C(=O)[O-] ZINC000042707532 957427331 /nfs/dbraw/zinc/42/73/31/957427331.db2.gz UUSPGXFXROIJMV-QMMMGPOBSA-N -1 3 243.253 2.117 20 0 BEADHM Cc1cccc(C(=O)Nc2ccsn2)c1[O-] ZINC000705801007 957490022 /nfs/dbraw/zinc/49/00/22/957490022.db2.gz ZQEGECMNSYPSFZ-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])C1(C)CC1 ZINC000706231156 957717899 /nfs/dbraw/zinc/71/78/99/957717899.db2.gz WJUWWIBWNDYBQO-MRVPVSSYSA-N -1 3 235.283 2.016 20 0 BEADHM Cn1ccc(Nc2cc(F)c([O-])cc2F)n1 ZINC001210352784 957727880 /nfs/dbraw/zinc/72/78/80/957727880.db2.gz BJJZZALDPBDOJK-UHFFFAOYSA-N -1 3 225.198 2.148 20 0 BEADHM C[C@@H](C(=O)[O-])N1CCc2cccc(Cl)c2C1 ZINC000082791529 957804488 /nfs/dbraw/zinc/80/44/88/957804488.db2.gz ABDKQVJEVBWACI-QMMMGPOBSA-N -1 3 239.702 2.171 20 0 BEADHM O=C([O-])c1ccc(CN2CCC3(CC3)CC2)o1 ZINC000706392193 957813526 /nfs/dbraw/zinc/81/35/26/957813526.db2.gz LPYQYSXCKQAPHU-UHFFFAOYSA-N -1 3 235.283 2.354 20 0 BEADHM Cc1nc(Nc2ccc([C@@H](C)O)cc2)cc(=O)[n-]1 ZINC001210640826 957839041 /nfs/dbraw/zinc/83/90/41/957839041.db2.gz LKRQWGOLTCWVMK-MRVPVSSYSA-N -1 3 245.282 2.288 20 0 BEADHM O=C1CC(Nc2ccc3c(c2)[N-]C(=S)C3)C1 ZINC001167347846 957846851 /nfs/dbraw/zinc/84/68/51/957846851.db2.gz FCAFKVUBEBWLED-UHFFFAOYSA-N -1 3 232.308 2.125 20 0 BEADHM CC(C)C1CN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000087043623 958000765 /nfs/dbraw/zinc/00/07/65/958000765.db2.gz RAQSIHZTDXWYTB-UHFFFAOYSA-N -1 3 223.272 2.066 20 0 BEADHM CSc1cncc(Nc2cnc(C)[n-]c2=O)c1 ZINC001211071279 958012873 /nfs/dbraw/zinc/01/28/73/958012873.db2.gz TWHKTFRJGIHQKM-UHFFFAOYSA-N -1 3 248.311 2.351 20 0 BEADHM CC[C@](C)(NCc1c(F)cccc1F)C(=O)[O-] ZINC000133767959 958820630 /nfs/dbraw/zinc/82/06/30/958820630.db2.gz NWCKZNVNQQEIFQ-LBPRGKRZSA-N -1 3 243.253 2.308 20 0 BEADHM COc1cncc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244496124 1169773062 /nfs/dbraw/zinc/77/30/62/1169773062.db2.gz LFLRFWRZANEPEW-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM CCCCOCCCNc1cc(=O)[n-]c(C)n1 ZINC000162785060 959944838 /nfs/dbraw/zinc/94/48/38/959944838.db2.gz LXOIXKRJDLBGST-UHFFFAOYSA-N -1 3 239.319 2.109 20 0 BEADHM [O-]c1cccc(OC[C@H]2C[C@H](O)C2)c1Cl ZINC001218425354 960086447 /nfs/dbraw/zinc/08/64/47/960086447.db2.gz ARYKYEOSMRTGQK-ZKCHVHJHSA-N -1 3 228.675 2.195 20 0 BEADHM CC[C@H](C)CNC(=S)Nc1cncc([O-])c1 ZINC001200238663 960129982 /nfs/dbraw/zinc/12/99/82/960129982.db2.gz AHFNCVYGHGTAJB-QMMMGPOBSA-N -1 3 239.344 2.120 20 0 BEADHM CCC1CCN(Cc2cccc(C(=O)[O-])n2)CC1 ZINC000232900928 960302881 /nfs/dbraw/zinc/30/28/81/960302881.db2.gz ZRKQMNVIVOWZCC-UHFFFAOYSA-N -1 3 248.326 2.402 20 0 BEADHM Cc1cnc([C@H](C)NCCCCC(=O)[O-])s1 ZINC000235510221 960446277 /nfs/dbraw/zinc/44/62/77/960446277.db2.gz DAOGXQLXESXEKA-VIFPVBQESA-N -1 3 242.344 2.357 20 0 BEADHM O=C([O-])c1ccc(CN2CCC[C@H](F)CC2)o1 ZINC001140944213 960737782 /nfs/dbraw/zinc/73/77/82/960737782.db2.gz VHMNWGZITHQFOA-VIFPVBQESA-N -1 3 241.262 2.302 20 0 BEADHM Cn1cc(Nc2cnc[n-]c2=O)c2ccccc21 ZINC001203419250 960993399 /nfs/dbraw/zinc/99/33/99/960993399.db2.gz KPGGSAHUGBMILM-UHFFFAOYSA-N -1 3 240.266 2.418 20 0 BEADHM O=C(Nc1ccc(F)c([O-])c1)C(F)(F)F ZINC001142768622 961725770 /nfs/dbraw/zinc/72/57/70/961725770.db2.gz PWZIHZJGOKXEJQ-UHFFFAOYSA-N -1 3 223.125 2.032 20 0 BEADHM O=C([N-][C@H](c1ccnc(F)c1)C1CC1)C(F)F ZINC001142792055 961755892 /nfs/dbraw/zinc/75/58/92/961755892.db2.gz GGONHZMNRXVLJU-VIFPVBQESA-N -1 3 244.216 2.053 20 0 BEADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCCOC2)c1 ZINC001225993946 962960864 /nfs/dbraw/zinc/96/08/64/962960864.db2.gz JXTQOFXYHVGDFV-LLVKDONJSA-N -1 3 236.267 2.153 20 0 BEADHM CC(=O)c1ccc([O-])c(O[C@H]2COC[C@@H]2C)c1 ZINC001225998821 962971005 /nfs/dbraw/zinc/97/10/05/962971005.db2.gz PASFUYVCDCMOHX-SDBXPKJASA-N -1 3 236.267 2.009 20 0 BEADHM CC/C=C(\C)[C@@H](CC)Oc1[n-]c(=O)nnc1C ZINC001226465017 963210004 /nfs/dbraw/zinc/21/00/04/963210004.db2.gz UQFXOQJMGMXVGZ-QROSGCPLSA-N -1 3 237.303 2.399 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@@H]1CCC[C@H](C)[C@H]1C ZINC001226464738 963212330 /nfs/dbraw/zinc/21/23/30/963212330.db2.gz SABWQVPTZZLERH-QXFUBDJGSA-N -1 3 237.303 2.089 20 0 BEADHM CCc1nc([C@H](C)NCCCC(=O)[O-])cs1 ZINC000309713408 963368320 /nfs/dbraw/zinc/36/83/20/963368320.db2.gz YAQUKFDIIRQPTQ-QMMMGPOBSA-N -1 3 242.344 2.221 20 0 BEADHM C[C@H](Oc1cc(=O)[n-]cn1)c1ccccc1 ZINC001226947473 963411830 /nfs/dbraw/zinc/41/18/30/963411830.db2.gz RJXPGYBMFKIWHK-VIFPVBQESA-N -1 3 216.240 2.322 20 0 BEADHM CCc1cnc(=S)[n-]c1O[C@@H]1C=CCC1 ZINC001227061319 963448056 /nfs/dbraw/zinc/44/80/56/963448056.db2.gz HBMYQLLXYPUVOK-SECBINFHSA-N -1 3 222.313 2.425 20 0 BEADHM C[C@H]1COCC[C@@H]1Oc1ncc(Cl)cc1[O-] ZINC001227982593 963647778 /nfs/dbraw/zinc/64/77/78/963647778.db2.gz DQBLBJQGKRNGOT-XVKPBYJWSA-N -1 3 243.690 2.244 20 0 BEADHM Cc1cnc(NCc2ncccc2[O-])c(F)c1 ZINC001158770408 963922794 /nfs/dbraw/zinc/92/27/94/963922794.db2.gz BGFDYGNGXYJPDQ-UHFFFAOYSA-N -1 3 233.246 2.242 20 0 BEADHM CCCc1cncnc1NCc1ncccc1[O-] ZINC001158774837 963923717 /nfs/dbraw/zinc/92/37/17/963923717.db2.gz RWMKECLXXWXIPW-UHFFFAOYSA-N -1 3 244.298 2.142 20 0 BEADHM COc1cnc(NCc2ncccc2[O-])c(C)c1 ZINC001158774218 963924085 /nfs/dbraw/zinc/92/40/85/963924085.db2.gz GROUBAFPKRXNEQ-UHFFFAOYSA-N -1 3 245.282 2.111 20 0 BEADHM [O-]c1ccc(Nc2ccno2)c(F)c1F ZINC001212000203 964155696 /nfs/dbraw/zinc/15/56/96/964155696.db2.gz SGHQXVIBSFGLSC-UHFFFAOYSA-N -1 3 212.155 2.402 20 0 BEADHM Cc1noc([N-]C(=O)c2cc3c(o2)CCCC3)n1 ZINC001160592856 964348838 /nfs/dbraw/zinc/34/88/38/964348838.db2.gz FLVPTCROQBMMIX-UHFFFAOYSA-N -1 3 247.254 2.102 20 0 BEADHM CC(C)(C)CNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001161642060 964657570 /nfs/dbraw/zinc/65/75/70/964657570.db2.gz GTQBSFYIPPQRPN-UHFFFAOYSA-N -1 3 249.293 2.464 20 0 BEADHM CC(C)(C)CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001161642060 964657573 /nfs/dbraw/zinc/65/75/73/964657573.db2.gz GTQBSFYIPPQRPN-UHFFFAOYSA-N -1 3 249.293 2.464 20 0 BEADHM Cc1ccc(CNc2ccc(=S)[n-]n2)o1 ZINC001161765587 964743811 /nfs/dbraw/zinc/74/38/11/964743811.db2.gz MYHHVGRKROLJJL-UHFFFAOYSA-N -1 3 221.285 2.279 20 0 BEADHM CC(C)C1(C(=O)NCc2ncccc2[O-])CCC1 ZINC001142654359 964754899 /nfs/dbraw/zinc/75/48/99/964754899.db2.gz NFUMDHKIVLXRFQ-UHFFFAOYSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@@H]1COCC[C@H]1Oc1nc2c(cccc2[O-])[nH]1 ZINC001234450591 965823407 /nfs/dbraw/zinc/82/34/07/965823407.db2.gz BBTYQULBZHJMSS-LDYMZIIASA-N -1 3 248.282 2.072 20 0 BEADHM CCO[C@@H](C)COc1nc2c(cccc2[O-])[nH]1 ZINC001234445880 965824786 /nfs/dbraw/zinc/82/47/86/965824786.db2.gz DKWHKJMMCNZTJR-QMMMGPOBSA-N -1 3 236.271 2.072 20 0 BEADHM C[C@H]1COCC[C@@H]1Oc1nc2c(cccc2[O-])[nH]1 ZINC001234450590 965825752 /nfs/dbraw/zinc/82/57/52/965825752.db2.gz BBTYQULBZHJMSS-KWQFWETISA-N -1 3 248.282 2.072 20 0 BEADHM CC(C)n1ccc(Nc2cnc[n-]c2=O)c1 ZINC001203158911 966523901 /nfs/dbraw/zinc/52/39/01/966523901.db2.gz NDOASWGZRQNXHG-UHFFFAOYSA-N -1 3 218.260 2.308 20 0 BEADHM Cc1nonc1[N-]c1cc(C)cnc1C ZINC001203654907 966721633 /nfs/dbraw/zinc/72/16/33/966721633.db2.gz RUBNWOSSTONMEU-UHFFFAOYSA-N -1 3 204.233 2.133 20 0 BEADHM Nc1ncccc1Nc1ncc(Cl)cc1[O-] ZINC001212391697 967009619 /nfs/dbraw/zinc/00/96/19/967009619.db2.gz WEMLHAJCMOOTSR-UHFFFAOYSA-N -1 3 236.662 2.161 20 0 BEADHM Cc1ccc(-c2ccoc2)cc1-c1nnn[n-]1 ZINC001239692111 967091603 /nfs/dbraw/zinc/09/16/03/967091603.db2.gz ONVGBQFHQANQJL-UHFFFAOYSA-N -1 3 226.239 2.435 20 0 BEADHM Cc1ccc(-c2ccoc2)cc1-c1nn[n-]n1 ZINC001239692111 967091612 /nfs/dbraw/zinc/09/16/12/967091612.db2.gz ONVGBQFHQANQJL-UHFFFAOYSA-N -1 3 226.239 2.435 20 0 BEADHM CCOC(=O)CCCc1ccc(F)cc1[O-] ZINC001249974326 967216929 /nfs/dbraw/zinc/21/69/29/967216929.db2.gz MDUAKXQAJBFMQV-UHFFFAOYSA-N -1 3 226.247 2.417 20 0 BEADHM CCOC(=O)CCCc1cccc([O-])c1F ZINC001249975440 967217802 /nfs/dbraw/zinc/21/78/02/967217802.db2.gz YLOQXOYDOOACJR-UHFFFAOYSA-N -1 3 226.247 2.417 20 0 BEADHM [O-]c1cc(F)cnc1Nc1ccn2ccnc2c1 ZINC001204966804 967267634 /nfs/dbraw/zinc/26/76/34/967267634.db2.gz YCNVMZAIAVSDCL-UHFFFAOYSA-N -1 3 244.229 2.318 20 0 BEADHM Cc1ccncc1-c1cccc(-c2nnn[n-]2)c1 ZINC001239976442 967273736 /nfs/dbraw/zinc/27/37/36/967273736.db2.gz XXFIEDCHVKYJLA-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1ccncc1-c1cccc(-c2nn[n-]n2)c1 ZINC001239976442 967273742 /nfs/dbraw/zinc/27/37/42/967273742.db2.gz XXFIEDCHVKYJLA-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM [O-]c1c(F)cc(F)cc1C[C@H]1CCCO1 ZINC001250106683 967385325 /nfs/dbraw/zinc/38/53/25/967385325.db2.gz VUEMXBJAFLPHQD-SECBINFHSA-N -1 3 214.211 2.392 20 0 BEADHM [O-]c1c(F)cc(F)cc1Nc1cccnn1 ZINC001212477930 967479443 /nfs/dbraw/zinc/47/94/43/967479443.db2.gz QNNWFPWJODFFOW-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM [O-]c1c(F)cc(F)cc1Nc1ccno1 ZINC001212477397 967482000 /nfs/dbraw/zinc/48/20/00/967482000.db2.gz CBDDGNFAKZYQIC-UHFFFAOYSA-N -1 3 212.155 2.402 20 0 BEADHM [O-]c1c(F)cc(F)cc1Nc1cnns1 ZINC001212479513 967483503 /nfs/dbraw/zinc/48/35/03/967483503.db2.gz CCFOSDKGJMMPON-UHFFFAOYSA-N -1 3 229.211 2.266 20 0 BEADHM Cc1c(Nc2cc(F)cc(F)c2[O-])ncn1C ZINC001212481952 967492889 /nfs/dbraw/zinc/49/28/89/967492889.db2.gz SPROKAURJKMISD-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM Cc1c(N)ccnc1-c1ccsc1C(=O)[O-] ZINC001205542511 967682708 /nfs/dbraw/zinc/68/27/08/967682708.db2.gz IHWHZOAGPCUNFI-UHFFFAOYSA-N -1 3 234.280 2.399 20 0 BEADHM CCOc1cc([N-]c2nnco2)ccc1OC ZINC001212538935 967853539 /nfs/dbraw/zinc/85/35/39/967853539.db2.gz SQEIETWKJIHISB-UHFFFAOYSA-N -1 3 235.243 2.221 20 0 BEADHM Cc1cnc(-c2ccc([O-])cc2F)cn1 ZINC001206021354 967975332 /nfs/dbraw/zinc/97/53/32/967975332.db2.gz MEAXFSRIRUSQTR-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM [O-]c1ccc(-c2ncnc3cc[nH]c32)c(F)c1 ZINC001206022364 967979082 /nfs/dbraw/zinc/97/90/82/967979082.db2.gz YPENFODOQNIJBE-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM COc1ncc(F)c(-c2ccc([O-])cc2F)n1 ZINC001206029748 967990035 /nfs/dbraw/zinc/99/00/35/967990035.db2.gz HVIFCHAXHFTJGZ-UHFFFAOYSA-N -1 3 238.193 2.136 20 0 BEADHM [O-]c1ccc(-c2ccc(F)nn2)c(F)c1 ZINC001206029738 967991632 /nfs/dbraw/zinc/99/16/32/967991632.db2.gz HMJORDAAXQZINC-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM Cc1ccc(-c2ccc([O-])cc2F)nn1 ZINC001250518798 968010673 /nfs/dbraw/zinc/01/06/73/968010673.db2.gz CYJBBQVPKDUQHW-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Cc1ccc(-c2ccc(F)c([O-])c2)nn1 ZINC001250520110 968024320 /nfs/dbraw/zinc/02/43/20/968024320.db2.gz PLTQHCOPHUJPRZ-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM O=C1Cc2c(cncc2-c2ccc([O-])cc2F)N1 ZINC001206072717 968040396 /nfs/dbraw/zinc/04/03/96/968040396.db2.gz GAOWHRURMJTQNA-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM CC(C)n1nc(-c2ccc([O-])cc2F)ccc1=O ZINC001206080158 968049608 /nfs/dbraw/zinc/04/96/08/968049608.db2.gz BNDSDNRXNAPOSC-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM CCOC(=O)c1nc2cc(F)cc(C)c2[n-]1 ZINC001250550102 968055736 /nfs/dbraw/zinc/05/57/36/968055736.db2.gz PNPLPJVNLATHBK-UHFFFAOYSA-N -1 3 222.219 2.187 20 0 BEADHM CCOC(=O)c1nc2c(cc(F)cc2C)[n-]1 ZINC001250550102 968055745 /nfs/dbraw/zinc/05/57/45/968055745.db2.gz PNPLPJVNLATHBK-UHFFFAOYSA-N -1 3 222.219 2.187 20 0 BEADHM CC1(Nc2ccccc2-c2nnn[n-]2)CCC1 ZINC001164032220 968159298 /nfs/dbraw/zinc/15/92/98/968159298.db2.gz ICUDCFGJDIRWEU-UHFFFAOYSA-N -1 3 229.287 2.221 20 0 BEADHM CC1(Nc2ccccc2-c2nn[n-]n2)CCC1 ZINC001164032220 968159303 /nfs/dbraw/zinc/15/93/03/968159303.db2.gz ICUDCFGJDIRWEU-UHFFFAOYSA-N -1 3 229.287 2.221 20 0 BEADHM [O-]c1cc(F)cnc1NC[C@H](O)c1ccccc1 ZINC001251980024 968425029 /nfs/dbraw/zinc/42/50/29/968425029.db2.gz LXPAKYWUAVLJMN-LBPRGKRZSA-N -1 3 248.257 2.072 20 0 BEADHM CC(=O)c1nn(C)cc1Nc1cc([O-])cc(F)c1 ZINC001206774263 968464873 /nfs/dbraw/zinc/46/48/73/968464873.db2.gz HVKCXZFOLSVOJE-UHFFFAOYSA-N -1 3 249.245 2.211 20 0 BEADHM O=C(NC[C@]12C[C@H]1CCC2)c1c([O-])cccc1O ZINC000822104942 968511144 /nfs/dbraw/zinc/51/11/44/968511144.db2.gz VARFRXBOQQIWBF-OTYXRUKQSA-N -1 3 247.294 2.018 20 0 BEADHM Cc1cnccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001240611344 968571682 /nfs/dbraw/zinc/57/16/82/968571682.db2.gz ZAJGYWWJYPAVOB-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1cnccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001240611344 968571687 /nfs/dbraw/zinc/57/16/87/968571687.db2.gz ZAJGYWWJYPAVOB-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM CC(C)=Cc1cc(-c2nnn[n-]2)ccc1F ZINC001240640575 968609072 /nfs/dbraw/zinc/60/90/72/968609072.db2.gz WYXSLYXSVNSWJN-UHFFFAOYSA-N -1 3 218.235 2.429 20 0 BEADHM CC(C)=Cc1cc(-c2nn[n-]n2)ccc1F ZINC001240640575 968609077 /nfs/dbraw/zinc/60/90/77/968609077.db2.gz WYXSLYXSVNSWJN-UHFFFAOYSA-N -1 3 218.235 2.429 20 0 BEADHM CCc1ccc(C)nc1[N-]S(=O)(=O)C(C)C ZINC001252406043 968657492 /nfs/dbraw/zinc/65/74/92/968657492.db2.gz BDKFSMNZKMIMFB-UHFFFAOYSA-N -1 3 242.344 2.103 20 0 BEADHM [O-]c1ccc(-c2cccn3cnnc23)cc1F ZINC001240787293 968690876 /nfs/dbraw/zinc/69/08/76/968690876.db2.gz WJOPZJTWBVMNRL-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cc1nnc([N-]c2ccc(OCC3CC3)nc2)o1 ZINC001210010184 969757962 /nfs/dbraw/zinc/75/79/62/969757962.db2.gz IXBWPNWBINWEFH-UHFFFAOYSA-N -1 3 246.270 2.305 20 0 BEADHM Cc1cc(Nc2cnc[n-]c2=O)ccc1N(C)C ZINC001210042497 969772347 /nfs/dbraw/zinc/77/23/47/969772347.db2.gz HQAOBJNMZYEYQG-UHFFFAOYSA-N -1 3 244.298 2.300 20 0 BEADHM Cc1nc(Nc2cccc(F)c2O)cc(=O)[n-]1 ZINC001210194929 969826963 /nfs/dbraw/zinc/82/69/63/969826963.db2.gz HISXPENYUJWGDM-UHFFFAOYSA-N -1 3 235.218 2.079 20 0 BEADHM Nc1ccc2cnn(-c3cccc(F)c3[O-])c2c1 ZINC001210197123 969830337 /nfs/dbraw/zinc/83/03/37/969830337.db2.gz QEEWFSAOGNCRQL-UHFFFAOYSA-N -1 3 243.241 2.452 20 0 BEADHM O=c1[nH]nccc1Nc1cccc(Cl)c1[O-] ZINC001210218747 969836111 /nfs/dbraw/zinc/83/61/11/969836111.db2.gz LQWLZLDJAMGEND-UHFFFAOYSA-N -1 3 237.646 2.285 20 0 BEADHM CCCc1cc(NCc2ncccc2[O-])ncn1 ZINC001169733028 969837017 /nfs/dbraw/zinc/83/70/17/969837017.db2.gz MCGLPOYWINELOO-UHFFFAOYSA-N -1 3 244.298 2.142 20 0 BEADHM COc1ccc(NCc2ncccc2[O-])nc1C ZINC001169733102 969838060 /nfs/dbraw/zinc/83/80/60/969838060.db2.gz SLCJSEVCWLFQDF-UHFFFAOYSA-N -1 3 245.282 2.111 20 0 BEADHM Cn1ccc(Nc2cc(F)c([O-])c(F)c2)n1 ZINC001210353132 969876576 /nfs/dbraw/zinc/87/65/76/969876576.db2.gz PPELZFHGXRUVTD-UHFFFAOYSA-N -1 3 225.198 2.148 20 0 BEADHM Cn1ccc(Nc2cc([O-])c(F)cc2F)n1 ZINC001210352476 969876951 /nfs/dbraw/zinc/87/69/51/969876951.db2.gz WKIRONJHVKSJIK-UHFFFAOYSA-N -1 3 225.198 2.148 20 0 BEADHM Cc1nonc1[N-]c1ccnc(OC2CC2)c1 ZINC001210749031 970015954 /nfs/dbraw/zinc/01/59/54/970015954.db2.gz SXWMCENZHKAHAS-UHFFFAOYSA-N -1 3 232.243 2.058 20 0 BEADHM Cc1nc(Nc2c[nH]c3ncccc23)cc(=O)[n-]1 ZINC001210940031 970078348 /nfs/dbraw/zinc/07/83/48/970078348.db2.gz IPASRRITGRPUOB-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM CCc1nccnc1[N-]c1nccs1 ZINC001210990310 970100609 /nfs/dbraw/zinc/10/06/09/970100609.db2.gz BHHNBNDTKLTHGX-UHFFFAOYSA-N -1 3 206.274 2.239 20 0 BEADHM Cc1ccc([N-]c2noc3nccnc23)nc1 ZINC001211006499 970110037 /nfs/dbraw/zinc/11/00/37/970110037.db2.gz XMXRVBNQGGSTFL-UHFFFAOYSA-N -1 3 227.227 2.065 20 0 BEADHM CCOC(=O)[C@H]1CCC[C@H](NC2=CC=C[CH]2)C1 ZINC001255348398 970124498 /nfs/dbraw/zinc/12/44/98/970124498.db2.gz HSQZDTYNLUZZAN-AAEUAGOBSA-N -1 3 234.319 2.356 20 0 BEADHM Cc1c(CO)cccc1Nc1ncc(F)cc1[O-] ZINC001211164073 970166772 /nfs/dbraw/zinc/16/67/72/970166772.db2.gz VLHGDUSATFRZIV-UHFFFAOYSA-N -1 3 248.257 2.471 20 0 BEADHM CCn1cccc(-c2ccc(F)c([O-])c2)c1=O ZINC001243051391 970208553 /nfs/dbraw/zinc/20/85/53/970208553.db2.gz LJBFIQJBGQYEBA-UHFFFAOYSA-N -1 3 233.242 2.380 20 0 BEADHM [O-]c1cc(-c2cn3ncnc3cc2F)ccc1F ZINC001243052111 970209905 /nfs/dbraw/zinc/20/99/05/970209905.db2.gz 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2.217 20 0 BEADHM Cc1nc(NC(=O)CC2=CCCCC2)cc(=O)[n-]1 ZINC001146730081 973239663 /nfs/dbraw/zinc/23/96/63/973239663.db2.gz RYLPFFQPWKODSI-UHFFFAOYSA-N -1 3 247.298 2.320 20 0 BEADHM Cc1cc(CN(CCC(=O)[O-])C(C)C)sn1 ZINC000404436073 973725950 /nfs/dbraw/zinc/72/59/50/973725950.db2.gz CKYIACIWRDKJMB-UHFFFAOYSA-N -1 3 242.344 2.137 20 0 BEADHM CC(C)(C)O[N-]C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001329639708 973863323 /nfs/dbraw/zinc/86/33/23/973863323.db2.gz IVHNEDQILOJACJ-YNEHKIRRSA-N -1 3 245.322 2.419 20 0 BEADHM CCc1[n-]n(Cc2ccncc2)c(=O)c1C(C)C ZINC001330686510 974413463 /nfs/dbraw/zinc/41/34/63/974413463.db2.gz CTCLSMZXNLWCCP-ZDUSSCGKSA-N -1 3 245.326 2.462 20 0 BEADHM CCc1[n-]n(Cc2ccncc2)c(=O)c1C(C)C ZINC001330686508 974416060 /nfs/dbraw/zinc/41/60/60/974416060.db2.gz CTCLSMZXNLWCCP-CYBMUJFWSA-N -1 3 245.326 2.462 20 0 BEADHM C[C@H]1C[C@H](Oc2ccc3c([O-])coc3c2)CCO1 ZINC001225340373 974416658 /nfs/dbraw/zinc/41/66/58/974416658.db2.gz KOTDOFCPAZWBPB-GXSJLCMTSA-N -1 3 248.278 2.208 20 0 BEADHM CO[C@H](C)CCOc1ccc2c([O-])coc2c1 ZINC001225342383 974416958 /nfs/dbraw/zinc/41/69/58/974416958.db2.gz ICVOMTGWEPMUNS-SECBINFHSA-N -1 3 236.267 2.066 20 0 BEADHM [O-]c1coc2cc(OC3CC(F)(F)C3)ccc12 ZINC001225343603 974423196 /nfs/dbraw/zinc/42/31/96/974423196.db2.gz ZCPQQFCXNOQZQP-UHFFFAOYSA-N -1 3 240.205 2.438 20 0 BEADHM CCCO[N-]C(=O)/C=C(/C)c1ccco1 ZINC001330872777 974516961 /nfs/dbraw/zinc/51/69/61/974516961.db2.gz MSVVYGAVFRRHTN-HJWRWDBZSA-N -1 3 209.245 2.141 20 0 BEADHM CC[C@@H](C)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225578238 974562719 /nfs/dbraw/zinc/56/27/19/974562719.db2.gz CJDFNSPMSLNFNK-RXMQYKEDSA-N -1 3 236.193 2.378 20 0 BEADHM CCC(=O)[C@@H](CC)Oc1[n-]c(=S)ncc1C ZINC001225741819 974664798 /nfs/dbraw/zinc/66/47/98/974664798.db2.gz DCKMKRSDMZVHGW-SECBINFHSA-N -1 3 240.328 2.210 20 0 BEADHM Cc1cnc(=S)[n-]c1O[C@H]1C=CCC1 ZINC001225741115 974665069 /nfs/dbraw/zinc/66/50/69/974665069.db2.gz QKDLFSCORJBNQD-QMMMGPOBSA-N -1 3 208.286 2.171 20 0 BEADHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1cnccn1 ZINC001225741392 974665751 /nfs/dbraw/zinc/66/57/51/974665751.db2.gz VJCKDYNSNQUIPI-QMMMGPOBSA-N -1 3 248.311 2.004 20 0 BEADHM Cc1cnc(=S)[n-]c1O[C@H](C)C(F)(F)F ZINC001225743092 974667773 /nfs/dbraw/zinc/66/77/73/974667773.db2.gz SOXFFHFDAUDERY-RXMQYKEDSA-N -1 3 238.234 2.403 20 0 BEADHM CCOCCCCCC(=O)[N-]OCC(C)C ZINC001331787710 974822158 /nfs/dbraw/zinc/82/21/58/974822158.db2.gz NFYHLRYKHWZXGC-UHFFFAOYSA-N -1 3 231.336 2.287 20 0 BEADHM O=C([O-])c1coc(CN[C@H]2C=CCCC2)c1 ZINC001331944439 974880485 /nfs/dbraw/zinc/88/04/85/974880485.db2.gz YAUDBIKFMMTCBW-JTQLQIEISA-N -1 3 221.256 2.176 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@H](C)c1ccccc1F ZINC001226461374 974910907 /nfs/dbraw/zinc/91/09/07/974910907.db2.gz OQZAJLZXZJARDN-MRVPVSSYSA-N -1 3 249.245 2.165 20 0 BEADHM CC[C@@H]1CCCC[C@@H]1Oc1[n-]c(=O)nnc1C ZINC001226461004 974910920 /nfs/dbraw/zinc/91/09/20/974910920.db2.gz JENYTEGRCQBTFE-ZJUUUORDSA-N -1 3 237.303 2.233 20 0 BEADHM CC[C@@H](C)CC[C@H](C)Oc1[n-]c(=O)nnc1C ZINC001226464211 974914327 /nfs/dbraw/zinc/91/43/27/974914327.db2.gz NKPJEEBUBIWYLL-BDAKNGLRSA-N -1 3 239.319 2.479 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@@H](C)CCC(C)C ZINC001226461741 974914353 /nfs/dbraw/zinc/91/43/53/974914353.db2.gz UUPBDLLUMSNUMG-QMMMGPOBSA-N -1 3 225.292 2.089 20 0 BEADHM CCC[C@@H](Oc1[n-]c(=O)nnc1C)C(C)C ZINC001226461928 974915050 /nfs/dbraw/zinc/91/50/50/974915050.db2.gz ZAEHJYFRYCSSES-SECBINFHSA-N -1 3 225.292 2.089 20 0 BEADHM CC(C)=CCC[C@H](C)Oc1[n-]c(=O)nnc1C ZINC001226465820 974916776 /nfs/dbraw/zinc/91/67/76/974916776.db2.gz ZNLKTKNUMRUKRO-VIFPVBQESA-N -1 3 237.303 2.399 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@@H]1CCC=CCCC1 ZINC001226465920 974916964 /nfs/dbraw/zinc/91/69/64/974916964.db2.gz ZTYYLEGLMDQHEW-SNVBAGLBSA-N -1 3 235.287 2.153 20 0 BEADHM Cc1ccc([C@H](C)Oc2[n-]c(=O)nnc2C)cc1 ZINC001226465531 974917365 /nfs/dbraw/zinc/91/73/65/974917365.db2.gz YAXGTOWZUOTUHD-JTQLQIEISA-N -1 3 245.282 2.334 20 0 BEADHM CC(=O)c1ccc([O-])c(O[C@H](C)C2CC2)c1O ZINC001226479761 974923951 /nfs/dbraw/zinc/92/39/51/974923951.db2.gz SVHCRUKPFANJPB-MRVPVSSYSA-N -1 3 236.267 2.478 20 0 BEADHM CCc1nc(O[C@@H]2C[C@@H]3CC[C@H]2C3)cc(=O)[n-]1 ZINC001226475862 974924052 /nfs/dbraw/zinc/92/40/52/974924052.db2.gz NAZRYDWGIDBKFZ-KXUCPTDWSA-N -1 3 234.299 2.312 20 0 BEADHM CCCCOC[C@H](C)Oc1cc(=O)[n-]c(C)n1 ZINC001226510247 974929846 /nfs/dbraw/zinc/92/98/46/974929846.db2.gz JZTZXRQOIWETSN-VIFPVBQESA-N -1 3 240.303 2.075 20 0 BEADHM FC1(F)CC[C@H](Oc2ccnc(=S)[n-]2)C1 ZINC001226942305 975167684 /nfs/dbraw/zinc/16/76/84/975167684.db2.gz KLPJGEAVKXXMHZ-LURJTMIESA-N -1 3 232.255 2.332 20 0 BEADHM COC1=CC[C@@H](Oc2ccnc(=S)[n-]2)CC1 ZINC001226942398 975167875 /nfs/dbraw/zinc/16/78/75/975167875.db2.gz LKYRJQPVAMIZEI-SECBINFHSA-N -1 3 238.312 2.227 20 0 BEADHM C[C@@H](COc1cc(=O)[n-]cn1)Oc1ccccc1 ZINC001226945241 975175506 /nfs/dbraw/zinc/17/55/06/975175506.db2.gz RDRGCJVQIVPJPD-JTQLQIEISA-N -1 3 246.266 2.029 20 0 BEADHM C[C@@H]1CCC[C@H](C)[C@H]1Oc1cc(=O)[n-]cn1 ZINC001226945378 975178033 /nfs/dbraw/zinc/17/80/33/975178033.db2.gz TVIHQOWEEDHLAP-GDGBQDQQSA-N -1 3 222.288 2.386 20 0 BEADHM COc1ccccc1[C@@H](C)Oc1cc(=O)[n-]cn1 ZINC001226947134 975178173 /nfs/dbraw/zinc/17/81/73/975178173.db2.gz PFWONXGGZPSUHV-SECBINFHSA-N -1 3 246.266 2.331 20 0 BEADHM C[C@H](Oc1ccc(=O)[n-]n1)c1cccs1 ZINC001227094543 975267503 /nfs/dbraw/zinc/26/75/03/975267503.db2.gz HIVDBTJUCYNFOG-ZETCQYMHSA-N -1 3 222.269 2.384 20 0 BEADHM C[C@H]1CC[C@H](Oc2ccc(=O)[n-]n2)CC1 ZINC001227094757 975268520 /nfs/dbraw/zinc/26/85/20/975268520.db2.gz KBERUNBDGHJUOO-KYZUINATSA-N -1 3 208.261 2.140 20 0 BEADHM O=c1ccc(O[C@@H]2CCCc3cccnc32)n[n-]1 ZINC001227094253 975271987 /nfs/dbraw/zinc/27/19/87/975271987.db2.gz CVBYVAZJPPWPMD-SNVBAGLBSA-N -1 3 243.266 2.034 20 0 BEADHM O=c1cc(Nc2ccsc2)[nH]c(=S)[n-]1 ZINC001173819097 975593525 /nfs/dbraw/zinc/59/35/25/975593525.db2.gz VBUVOAXMQSLHSB-UHFFFAOYSA-N -1 3 225.298 2.276 20 0 BEADHM O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccsc1 ZINC001173819124 975595317 /nfs/dbraw/zinc/59/53/17/975595317.db2.gz ZUOWPRBZVWNYQL-UHFFFAOYSA-N -1 3 238.228 2.091 20 0 BEADHM Cc1ncc(Nc2ccccc2)c(=O)[n-]1 ZINC001173792547 975614932 /nfs/dbraw/zinc/61/49/32/975614932.db2.gz QUWNLHGGVBZBJI-UHFFFAOYSA-N -1 3 201.229 2.234 20 0 BEADHM C=Cc1c[n-]c(=O)nc1O[C@H]1CCC[C@@H]1C ZINC001227712597 975627785 /nfs/dbraw/zinc/62/77/85/975627785.db2.gz DQBYNSDWYWLSJV-WPRPVWTQSA-N -1 3 220.272 2.393 20 0 BEADHM C=Cc1c[n-]c(=O)nc1O[C@H](C)C1CC1 ZINC001227710781 975631282 /nfs/dbraw/zinc/63/12/82/975631282.db2.gz BLOUTNCLPXPIHC-SSDOTTSWSA-N -1 3 206.245 2.003 20 0 BEADHM C=Cc1c[n-]c(=O)nc1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001227714263 975640885 /nfs/dbraw/zinc/64/08/85/975640885.db2.gz VAQHLWKQBLPCCH-JMJZKYOTSA-N -1 3 230.267 2.169 20 0 BEADHM CCOc1ccc(Nc2cnc[n-]c2=O)cc1 ZINC001173851690 975760739 /nfs/dbraw/zinc/76/07/39/975760739.db2.gz OMLHZUJPCTWZDD-UHFFFAOYSA-N -1 3 231.255 2.325 20 0 BEADHM O=C1CCCC[C@H]1Oc1ncc(Cl)cc1[O-] ZINC001227983360 975828019 /nfs/dbraw/zinc/82/80/19/975828019.db2.gz NDGBKZVARYKHBX-SNVBAGLBSA-N -1 3 241.674 2.331 20 0 BEADHM O=C1CCCC[C@@H]1Oc1ncc(Cl)cc1[O-] ZINC001227983357 975830145 /nfs/dbraw/zinc/83/01/45/975830145.db2.gz NDGBKZVARYKHBX-JTQLQIEISA-N -1 3 241.674 2.331 20 0 BEADHM O=c1nc2cccnc2c(O[C@@H]2C=CCCC2)[n-]1 ZINC001228007159 975849251 /nfs/dbraw/zinc/84/92/51/975849251.db2.gz JZPAZXGISROLQI-SECBINFHSA-N -1 3 243.266 2.218 20 0 BEADHM COc1ccccc1[N-]c1nnc(C)o1 ZINC001173839084 975871668 /nfs/dbraw/zinc/87/16/68/975871668.db2.gz JGEIUBJJPSWHSW-UHFFFAOYSA-N -1 3 205.217 2.130 20 0 BEADHM COc1ccc(Nc2ncc(F)cc2[O-])cn1 ZINC001173959089 976005786 /nfs/dbraw/zinc/00/57/86/976005786.db2.gz XUDPVKDAEHWOHM-UHFFFAOYSA-N -1 3 235.218 2.074 20 0 BEADHM COc1nonc1[N-]c1ccc2[nH]ccc2c1 ZINC001173937455 976081729 /nfs/dbraw/zinc/08/17/29/976081729.db2.gz SUDLXBSWEQCYEE-UHFFFAOYSA-N -1 3 230.227 2.303 20 0 BEADHM COc1cccc(Nc2cc(=O)[n-]c(C)n2)c1F ZINC001173970726 976098516 /nfs/dbraw/zinc/09/85/16/976098516.db2.gz KLZGOJRGNINKRX-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM Cc1sc(CNCC2(C)CC2)nc1C(=O)[O-] ZINC001333892336 976147464 /nfs/dbraw/zinc/14/74/64/976147464.db2.gz FPFBKKOAQVRFOF-UHFFFAOYSA-N -1 3 240.328 2.039 20 0 BEADHM COc1ccc(Nc2cnc[n-]c2=O)c(C)c1 ZINC001174023038 976226876 /nfs/dbraw/zinc/22/68/76/976226876.db2.gz ZWNYSYCFGMKZKO-UHFFFAOYSA-N -1 3 231.255 2.243 20 0 BEADHM Cc1nsc([N-]c2cnccc2C)n1 ZINC001174115180 976324606 /nfs/dbraw/zinc/32/46/06/976324606.db2.gz FZNJYSINPROZQX-UHFFFAOYSA-N -1 3 206.274 2.294 20 0 BEADHM Cc1nn(C)c(C)c1[N-]c1noc2cccnc12 ZINC001174223970 976418749 /nfs/dbraw/zinc/41/87/49/976418749.db2.gz JEOIPBXAKBNEQM-UHFFFAOYSA-N -1 3 243.270 2.317 20 0 BEADHM C1=C[C@H](Oc2n[n-]c(-c3ccncc3)n2)CCC1 ZINC001228697351 976437263 /nfs/dbraw/zinc/43/72/63/976437263.db2.gz KBRBVAHRAKESSE-NSHDSACASA-N -1 3 242.282 2.354 20 0 BEADHM C[C@@H](Oc1nnc(-c2cccnc2)[n-]1)C1CCC1 ZINC001228695899 976438522 /nfs/dbraw/zinc/43/85/22/976438522.db2.gz SIUVTPUICUZQRW-SECBINFHSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@@H](Oc1nc(-c2cccnc2)n[n-]1)C1CCC1 ZINC001228695899 976438530 /nfs/dbraw/zinc/43/85/30/976438530.db2.gz SIUVTPUICUZQRW-SECBINFHSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@@H](Oc1n[n-]c(-c2cccnc2)n1)C1CCC1 ZINC001228695899 976438545 /nfs/dbraw/zinc/43/85/45/976438545.db2.gz SIUVTPUICUZQRW-SECBINFHSA-N -1 3 244.298 2.434 20 0 BEADHM CC(C)[C@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228693664 976441124 /nfs/dbraw/zinc/44/11/24/976441124.db2.gz BWSCYPBCZPKGMW-VIFPVBQESA-N -1 3 232.287 2.290 20 0 BEADHM CC(C)[C@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228693664 976441189 /nfs/dbraw/zinc/44/11/89/976441189.db2.gz BWSCYPBCZPKGMW-VIFPVBQESA-N -1 3 232.287 2.290 20 0 BEADHM CC(C)[C@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228693664 976441201 /nfs/dbraw/zinc/44/12/01/976441201.db2.gz BWSCYPBCZPKGMW-VIFPVBQESA-N -1 3 232.287 2.290 20 0 BEADHM C[C@@H](C1CC1)n1[n-]cc2c(=O)cccc-2c1=O ZINC001334366025 976470399 /nfs/dbraw/zinc/47/03/99/976470399.db2.gz WXJMKOGCXILJMY-QMMMGPOBSA-N -1 3 230.267 2.073 20 0 BEADHM C[C@@H](C1CC1)n1ncc2c([O-])cccc2c1=O ZINC001334366025 976470404 /nfs/dbraw/zinc/47/04/04/976470404.db2.gz WXJMKOGCXILJMY-QMMMGPOBSA-N -1 3 230.267 2.073 20 0 BEADHM Cc1nc(Nc2ccc3n[nH]cc3c2)cc(=O)[n-]1 ZINC001174273015 976496894 /nfs/dbraw/zinc/49/68/94/976496894.db2.gz NCNLFNXSEFZQIE-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM O=C1CCc2cc([O-])c(O[C@@H]3CCCOC3)cc21 ZINC001228852603 976530941 /nfs/dbraw/zinc/53/09/41/976530941.db2.gz AQYLXJQRCUGINJ-SNVBAGLBSA-N -1 3 248.278 2.079 20 0 BEADHM Cc1nn(C)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001174336024 976556970 /nfs/dbraw/zinc/55/69/70/976556970.db2.gz YLMNDZGFCCNIBH-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM [O-]c1cc(F)cnc1Nc1cnc2[nH]ccc2c1 ZINC001174396769 976591874 /nfs/dbraw/zinc/59/18/74/976591874.db2.gz NAUPODUBAQGVRD-UHFFFAOYSA-N -1 3 244.229 2.498 20 0 BEADHM Cc1nc(O[C@@H]2C[C@H]3C=C[C@@H]2C3)c(C)c(=O)[n-]1 ZINC001229686017 976944829 /nfs/dbraw/zinc/94/48/29/976944829.db2.gz QMVLSCMFGLSFIY-HBNTYKKESA-N -1 3 232.283 2.142 20 0 BEADHM c1ccc(-c2nnn[n-]2)c(O[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC001229953869 977039494 /nfs/dbraw/zinc/03/94/94/977039494.db2.gz FJOLDMIPDROVNC-ILWJIGKKSA-N -1 3 242.282 2.044 20 0 BEADHM c1ccc(-c2nn[n-]n2)c(O[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC001229953869 977039507 /nfs/dbraw/zinc/03/95/07/977039507.db2.gz FJOLDMIPDROVNC-ILWJIGKKSA-N -1 3 242.282 2.044 20 0 BEADHM O=c1[n-]cncc1Nc1ccc2cc[nH]c2c1 ZINC001174747672 977041645 /nfs/dbraw/zinc/04/16/45/977041645.db2.gz IOOFCUBYJUWADD-UHFFFAOYSA-N -1 3 226.239 2.407 20 0 BEADHM Cc1cc(Nc2cc([O-])c(F)cc2F)n(C)n1 ZINC001174826358 977084824 /nfs/dbraw/zinc/08/48/24/977084824.db2.gz UBNPGWLTOAGQBD-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM Cc1ccc(F)cc1Nc1cnc[n-]c1=O ZINC001174886460 977114342 /nfs/dbraw/zinc/11/43/42/977114342.db2.gz YLIGIYRSTGRBHA-UHFFFAOYSA-N -1 3 219.219 2.373 20 0 BEADHM Cc1ncc(Nc2ccc(N(C)C)cc2)c(=O)[n-]1 ZINC001174878432 977147380 /nfs/dbraw/zinc/14/73/80/977147380.db2.gz KFGFMZGHEKFOMZ-UHFFFAOYSA-N -1 3 244.298 2.300 20 0 BEADHM COc1cccc(F)c1Nc1cc(=O)[n-]c(C)n1 ZINC001174991660 977198402 /nfs/dbraw/zinc/19/84/02/977198402.db2.gz DAUKRPGMJBIBNT-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM CCOc1cccc([N-]c2nonc2OC)c1 ZINC001175090693 977265880 /nfs/dbraw/zinc/26/58/80/977265880.db2.gz QHQUTVARKKIJPX-UHFFFAOYSA-N -1 3 235.243 2.221 20 0 BEADHM Cn1ccc(Nc2c(F)ccc([O-])c2F)n1 ZINC001175261551 977357242 /nfs/dbraw/zinc/35/72/42/977357242.db2.gz METJCEOVGPIFSN-UHFFFAOYSA-N -1 3 225.198 2.148 20 0 BEADHM Nc1cn(-c2c(F)ccc([O-])c2F)nc1Cl ZINC001175262878 977361919 /nfs/dbraw/zinc/36/19/19/977361919.db2.gz ARFQTQLBEMWCPY-UHFFFAOYSA-N -1 3 245.616 2.092 20 0 BEADHM Cn1cc(Nc2c(F)ccc([O-])c2F)cn1 ZINC001175262035 977363427 /nfs/dbraw/zinc/36/34/27/977363427.db2.gz YIQWVLWFWCXAQB-UHFFFAOYSA-N -1 3 225.198 2.148 20 0 BEADHM Cc1ncc(Nc2cccc(C(=O)[O-])c2)n1C ZINC001175330231 977380409 /nfs/dbraw/zinc/38/04/09/977380409.db2.gz JSDYRPHVZIJOII-UHFFFAOYSA-N -1 3 231.255 2.170 20 0 BEADHM c1csc(Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001175423991 977422860 /nfs/dbraw/zinc/42/28/60/977422860.db2.gz ZVCOEFMNISFBBZ-UHFFFAOYSA-N -1 3 244.283 2.067 20 0 BEADHM C[C@@H]1CC[C@H](Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001231074526 977459797 /nfs/dbraw/zinc/45/97/97/977459797.db2.gz UTNUPRIMIUHHQQ-SKDRFNHKSA-N -1 3 244.298 2.434 20 0 BEADHM CC(C)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074819 977463380 /nfs/dbraw/zinc/46/33/80/977463380.db2.gz YFPWEBHRUFBIEI-VIFPVBQESA-N -1 3 232.287 2.290 20 0 BEADHM Cc1cc(CN2CC[C@@H](CF)C2)oc1C(=O)[O-] ZINC000711489949 977550887 /nfs/dbraw/zinc/55/08/87/977550887.db2.gz LHNMTXGXZOMPQC-VIFPVBQESA-N -1 3 241.262 2.078 20 0 BEADHM Cc1c2c(=N)ncnc-2[n-]n1/C=C/C(C)(C)C ZINC001175569790 977559351 /nfs/dbraw/zinc/55/93/51/977559351.db2.gz YDNSEPYUHVLCNB-AATRIKPKSA-N -1 3 231.303 2.016 20 0 BEADHM CC[C@H](F)C(=O)Nc1cccc([O-])c1F ZINC001336415357 977667906 /nfs/dbraw/zinc/66/79/06/977667906.db2.gz AHPBOMWKHQSOKO-LURJTMIESA-N -1 3 215.199 2.218 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H](C)Cc2ccco2)n1 ZINC001336458210 977696690 /nfs/dbraw/zinc/69/66/90/977696690.db2.gz RGWXRWFFAOKFFV-QMMMGPOBSA-N -1 3 233.271 2.127 20 0 BEADHM O=c1cc(NC2=CCCCC2)[nH]c(=S)[n-]1 ZINC001175753104 977702263 /nfs/dbraw/zinc/70/22/63/977702263.db2.gz QNSJVTLTXFVZEK-UHFFFAOYSA-N -1 3 223.301 2.341 20 0 BEADHM Cc1nc(Nc2cnn(C3CCC3)c2)cc(=O)[n-]1 ZINC001175756255 977714827 /nfs/dbraw/zinc/71/48/27/977714827.db2.gz OSGISFWNTSPENV-UHFFFAOYSA-N -1 3 245.286 2.156 20 0 BEADHM Fc1cnc([N-]c2cscn2)s1 ZINC001175937976 977795376 /nfs/dbraw/zinc/79/53/76/977795376.db2.gz MHKWOXOFVSFYOT-UHFFFAOYSA-N -1 3 201.251 2.482 20 0 BEADHM CC1(CC(=O)[N-]OCCOc2ccccc2)CC1 ZINC001336607997 977810562 /nfs/dbraw/zinc/81/05/62/977810562.db2.gz TXEXRLUULPQCLE-UHFFFAOYSA-N -1 3 249.310 2.303 20 0 BEADHM Cc1nc(Nc2cccc3c2OCC3)cc(=O)[n-]1 ZINC001176076939 977871668 /nfs/dbraw/zinc/87/16/68/977871668.db2.gz OQNFQZXSDYUBIU-UHFFFAOYSA-N -1 3 243.266 2.169 20 0 BEADHM COC(=O)c1ccc([N-]c2c(C)noc2C)o1 ZINC001176179312 977984931 /nfs/dbraw/zinc/98/49/31/977984931.db2.gz SBGZBJDQNMZWLO-UHFFFAOYSA-N -1 3 236.227 2.415 20 0 BEADHM CC[C@@H]1C[C@@H](CC(=O)[N-]OC(C)(C)C)CCO1 ZINC001337566354 978413368 /nfs/dbraw/zinc/41/33/68/978413368.db2.gz JDTFQQHGOJRPBU-WDEREUQCSA-N -1 3 243.347 2.428 20 0 BEADHM [S-]c1ccc(CN2CCN(C3CC3)CC2)cc1 ZINC001233258691 978518535 /nfs/dbraw/zinc/51/85/35/978518535.db2.gz OYVFCEHBURXPAQ-UHFFFAOYSA-N -1 3 248.395 2.255 20 0 BEADHM CSCCCCCNc1nc(C)cc(=O)[n-]1 ZINC001337844309 978523770 /nfs/dbraw/zinc/52/37/70/978523770.db2.gz QCGCOFBMEFFJEG-UHFFFAOYSA-N -1 3 241.360 2.436 20 0 BEADHM C[C@@H]1CCN1Cc1c(F)ccc([O-])c1F ZINC001233393747 978588923 /nfs/dbraw/zinc/58/89/23/978588923.db2.gz KDIDCXPLGBEFBY-SSDOTTSWSA-N -1 3 213.227 2.265 20 0 BEADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)c([O-])c1 ZINC001178561470 978595016 /nfs/dbraw/zinc/59/50/16/978595016.db2.gz PHLWCAHEMAHWCV-XPUUQOCRSA-N -1 3 209.220 2.126 20 0 BEADHM Cc1nc(N2CC(F)(F)CC[C@@H]2C)cc(=O)[n-]1 ZINC001338157981 978620901 /nfs/dbraw/zinc/62/09/01/978620901.db2.gz JFCCOEBWBNFHHG-ZETCQYMHSA-N -1 3 243.257 2.115 20 0 BEADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CCOC1=O ZINC001233592723 978639387 /nfs/dbraw/zinc/63/93/87/978639387.db2.gz OEBRUFJSERNKPZ-SECBINFHSA-N -1 3 242.658 2.048 20 0 BEADHM CCC1(C(=O)Nc2cc(=O)[n-]c(C)n2)CCC1 ZINC001179018407 978656271 /nfs/dbraw/zinc/65/62/71/978656271.db2.gz MUFXJDWEIMQNFS-UHFFFAOYSA-N -1 3 235.287 2.009 20 0 BEADHM [O-]c1cccc(OC[C@H]2CCCCO2)c1F ZINC001233870593 978721016 /nfs/dbraw/zinc/72/10/16/978721016.db2.gz GGWYLYKILIYAIS-SECBINFHSA-N -1 3 226.247 2.479 20 0 BEADHM O=C1CC(Oc2c(Cl)ccc([O-])c2F)C1 ZINC001234262893 978806190 /nfs/dbraw/zinc/80/61/90/978806190.db2.gz KOWJHTMFPFDGSH-UHFFFAOYSA-N -1 3 230.622 2.295 20 0 BEADHM O=C(Nc1cncc([O-])c1)[C@@H](F)c1ccccc1 ZINC001180140700 978818143 /nfs/dbraw/zinc/81/81/43/978818143.db2.gz CFWJFJACYIONCG-LBPRGKRZSA-N -1 3 246.241 2.437 20 0 BEADHM Cc1coc(CNC[C@@H](CC(=O)[O-])C(F)F)c1 ZINC001339240693 978823491 /nfs/dbraw/zinc/82/34/91/978823491.db2.gz MQTLYJAZVDLRNS-MRVPVSSYSA-N -1 3 247.241 2.034 20 0 BEADHM CC[C@@H](COC)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234447546 978839123 /nfs/dbraw/zinc/83/91/23/978839123.db2.gz NVSHCEHBEYPRRK-QMMMGPOBSA-N -1 3 236.271 2.072 20 0 BEADHM O=C1CCCC[C@H]1Oc1nc2c(cccc2[O-])[nH]1 ZINC001234452589 978841770 /nfs/dbraw/zinc/84/17/70/978841770.db2.gz NYXRMOCFWIETJA-LLVKDONJSA-N -1 3 246.266 2.159 20 0 BEADHM Cc1noc(C)c1[C@H](C)Nc1nc(C)cc(=O)[n-]1 ZINC001339579873 978873956 /nfs/dbraw/zinc/87/39/56/978873956.db2.gz YUPCOHZPDUEQRX-ZETCQYMHSA-N -1 3 248.286 2.269 20 0 BEADHM O=C([O-])CNC1(c2c(F)cccc2F)CCC1 ZINC001602075313 978888962 /nfs/dbraw/zinc/88/89/62/978888962.db2.gz WMUAATVSTJEMMV-UHFFFAOYSA-N -1 3 241.237 2.018 20 0 BEADHM C=C/C=C/CCNc1nc(C)cc(=O)[n-]1 ZINC001339808485 978917472 /nfs/dbraw/zinc/91/74/72/978917472.db2.gz QRKGMSBALYQPOI-SNAWJCMRSA-N -1 3 205.261 2.035 20 0 BEADHM C[C@@H]1COCC[C@H]1Oc1nc2ccsc2[n-]1 ZINC001234854336 978919384 /nfs/dbraw/zinc/91/93/84/978919384.db2.gz KMGYIVLJBHMWBS-VXNVDRBHSA-N -1 3 238.312 2.428 20 0 BEADHM C[C@@H]1COCC[C@H]1Oc1nc2sccc2[n-]1 ZINC001234854336 978919386 /nfs/dbraw/zinc/91/93/86/978919386.db2.gz KMGYIVLJBHMWBS-VXNVDRBHSA-N -1 3 238.312 2.428 20 0 BEADHM O=C([O-])c1ccc(CNCc2cccs2)[nH]1 ZINC001602347833 979106731 /nfs/dbraw/zinc/10/67/31/979106731.db2.gz FVACCYCMCQBLHL-UHFFFAOYSA-N -1 3 236.296 2.064 20 0 BEADHM O=C([O-])c1ccc2c(c1)[C@@H](NCCF)CCC2 ZINC001602412826 979109708 /nfs/dbraw/zinc/10/97/08/979109708.db2.gz MNRIAQDSCBMMJN-LBPRGKRZSA-N -1 3 237.274 2.321 20 0 BEADHM [O-]c1cc(Cl)cc(-c2cncn3cnnc23)c1 ZINC001235903976 979197522 /nfs/dbraw/zinc/19/75/22/979197522.db2.gz ICKRUJDDAXWPGA-UHFFFAOYSA-N -1 3 246.657 2.150 20 0 BEADHM C=C/C=C/CCn1cc(C)c(-c2nnn[n-]2)c1 ZINC001602807392 979253173 /nfs/dbraw/zinc/25/31/73/979253173.db2.gz LAQPDHAZETWPCA-SNAWJCMRSA-N -1 3 229.287 2.109 20 0 BEADHM C=C/C=C/CCn1cc(C)c(-c2nn[n-]n2)c1 ZINC001602807392 979253179 /nfs/dbraw/zinc/25/31/79/979253179.db2.gz LAQPDHAZETWPCA-SNAWJCMRSA-N -1 3 229.287 2.109 20 0 BEADHM CC(C)(F)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001603158061 979388818 /nfs/dbraw/zinc/38/88/18/979388818.db2.gz RYBYACGGYWUMEJ-UHFFFAOYSA-N -1 3 235.266 2.027 20 0 BEADHM CC(C)C1CN(Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001603759369 979515579 /nfs/dbraw/zinc/51/55/79/979515579.db2.gz IWHSIAUNIDBDDV-WAYWQWQTSA-N -1 3 249.310 2.465 20 0 BEADHM S=c1ccc(C2=CCSCC2)n[n-]1 ZINC001236363257 979555573 /nfs/dbraw/zinc/55/55/73/979555573.db2.gz QINIGKAIXDWMDT-UHFFFAOYSA-N -1 3 210.327 2.286 20 0 BEADHM CCC(CC)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001604027480 979561126 /nfs/dbraw/zinc/56/11/26/979561126.db2.gz GKJYXSPGVVLINJ-UHFFFAOYSA-N -1 3 246.318 2.171 20 0 BEADHM CCC(CC)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001604027480 979561137 /nfs/dbraw/zinc/56/11/37/979561137.db2.gz GKJYXSPGVVLINJ-UHFFFAOYSA-N -1 3 246.318 2.171 20 0 BEADHM CC1(C(=O)[O-])CN(Cc2ccc3occc3c2)C1 ZINC001604502642 979668670 /nfs/dbraw/zinc/66/86/70/979668670.db2.gz ICGOLKJEKBSJFY-UHFFFAOYSA-N -1 3 245.278 2.339 20 0 BEADHM CC1=C[C@H](C)CN(Cc2ccc(C(=O)[O-])n2C)C1 ZINC001604615175 979684855 /nfs/dbraw/zinc/68/48/55/979684855.db2.gz GWKAXBXVXJTFLC-JTQLQIEISA-N -1 3 248.326 2.121 20 0 BEADHM [O-]c1cc(CN2C[C@@H](F)[C@H](F)C2)ccc1F ZINC001236704190 979696895 /nfs/dbraw/zinc/69/68/95/979696895.db2.gz TZWSACPGJDYCGQ-NXEZZACHSA-N -1 3 231.217 2.023 20 0 BEADHM FC1(F)CCN(Cc2occc2[S-])C1 ZINC001237181275 979832563 /nfs/dbraw/zinc/83/25/63/979832563.db2.gz GFLZIQCXPKQUOD-UHFFFAOYSA-N -1 3 219.256 2.409 20 0 BEADHM [O-]c1cc(F)cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001237278436 979859717 /nfs/dbraw/zinc/85/97/17/979859717.db2.gz XXSORCRNLFPFRK-XDTLVQLUSA-N -1 3 239.265 2.321 20 0 BEADHM [O-]c1cc(F)cc(CN2CCn3cccc3C2)c1 ZINC001237279482 979861383 /nfs/dbraw/zinc/86/13/83/979861383.db2.gz SIHWJSTUIJCPPI-UHFFFAOYSA-N -1 3 246.285 2.349 20 0 BEADHM CC(=O)[C@@H](C)CC(=O)Nc1ccc(F)c([O-])c1 ZINC001184336645 980043284 /nfs/dbraw/zinc/04/32/84/980043284.db2.gz CCCWKFABEWRDSG-ZETCQYMHSA-N -1 3 239.246 2.085 20 0 BEADHM c1cn(CCC2CCCC2)cc1-c1nnn[n-]1 ZINC001607133199 980090285 /nfs/dbraw/zinc/09/02/85/980090285.db2.gz RSMBDTRWOXUGET-UHFFFAOYSA-N -1 3 231.303 2.249 20 0 BEADHM c1cn(CCC2CCCC2)cc1-c1nn[n-]n1 ZINC001607133199 980090293 /nfs/dbraw/zinc/09/02/93/980090293.db2.gz RSMBDTRWOXUGET-UHFFFAOYSA-N -1 3 231.303 2.249 20 0 BEADHM Cc1nc(NC(=O)[C@@H]2CCC[C@@H](C)C2)cc(=O)[n-]1 ZINC001184502238 980096111 /nfs/dbraw/zinc/09/61/11/980096111.db2.gz GOYUUGFQLNUKSL-PSASIEDQSA-N -1 3 249.314 2.255 20 0 BEADHM Cc1oc(CN2CC[C@@H]2C2CC2)cc1C(=O)[O-] ZINC001608047875 980156905 /nfs/dbraw/zinc/15/69/05/980156905.db2.gz DKQXBEZQTKNBRT-GFCCVEGCSA-N -1 3 235.283 2.271 20 0 BEADHM CC1(C)OC[C@H](Cc2c(F)cc([O-])cc2F)O1 ZINC001250184496 980216679 /nfs/dbraw/zinc/21/66/79/980216679.db2.gz YVTPNRQOXQKESK-QMMMGPOBSA-N -1 3 244.237 2.364 20 0 BEADHM CC1(C)OC[C@H](Cc2cc(F)cc(F)c2[O-])O1 ZINC001250185943 980227836 /nfs/dbraw/zinc/22/78/36/980227836.db2.gz NSQIQOPHEDXYDF-VIFPVBQESA-N -1 3 244.237 2.364 20 0 BEADHM O=C([O-])[C@@H]1CCC[C@H]1NC/C(Cl)=C\Cl ZINC001608623036 980251423 /nfs/dbraw/zinc/25/14/23/980251423.db2.gz JYNGRDPAHOGIBT-CTDODENGSA-N -1 3 238.114 2.148 20 0 BEADHM CCOCc1cncc(-c2ccc(=S)[n-]n2)c1 ZINC001238914257 980364509 /nfs/dbraw/zinc/36/45/09/980364509.db2.gz HONOSHMRZHVBOE-UHFFFAOYSA-N -1 3 247.323 2.364 20 0 BEADHM O=C(NCC1CCCCC1)Nc1cncc([O-])c1 ZINC001186847073 980446779 /nfs/dbraw/zinc/44/67/79/980446779.db2.gz DCPMHTUATGCZFB-UHFFFAOYSA-N -1 3 249.314 2.489 20 0 BEADHM O=C(Nc1cncc([O-])c1)[C@@H]1CCC(F)(F)C1 ZINC001186876780 980451463 /nfs/dbraw/zinc/45/14/63/980451463.db2.gz OOKFCFZKEGQRJJ-SSDOTTSWSA-N -1 3 242.225 2.161 20 0 BEADHM [O-]c1cccnc1CNc1ccccc1 ZINC000075601595 980549903 /nfs/dbraw/zinc/54/99/03/980549903.db2.gz SVBIRSBPBNZECG-UHFFFAOYSA-N -1 3 200.241 2.399 20 0 BEADHM Fc1cccc(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC001239534860 980709167 /nfs/dbraw/zinc/70/91/67/980709167.db2.gz AIRNVYUSBFXVDJ-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1cccc(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC001239534860 980709169 /nfs/dbraw/zinc/70/91/69/980709169.db2.gz AIRNVYUSBFXVDJ-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM [O-]c1ccc(F)c(Cc2ncccn2)c1F ZINC001250343355 980811419 /nfs/dbraw/zinc/81/14/19/980811419.db2.gz AQYVYZTYDIDMKD-UHFFFAOYSA-N -1 3 222.194 2.051 20 0 BEADHM CC(=O)Nc1ccccc1-c1ccc(=S)[n-]n1 ZINC001239779996 980911975 /nfs/dbraw/zinc/91/19/75/980911975.db2.gz KYSRZBJRYYVFAW-UHFFFAOYSA-N -1 3 245.307 2.391 20 0 BEADHM CC(C)O[N-]C(=O)C[C@@]1(C)CC1(Cl)Cl ZINC001347998451 981240392 /nfs/dbraw/zinc/24/03/92/981240392.db2.gz LVJCORWZVFFHNP-QMMMGPOBSA-N -1 3 240.130 2.417 20 0 BEADHM Cn1ncc2ccc(-c3ccc(=S)[n-]n3)cc21 ZINC001240306757 981275150 /nfs/dbraw/zinc/27/51/50/981275150.db2.gz UGOTXUQXNXESMA-UHFFFAOYSA-N -1 3 242.307 2.319 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCC(F)(F)C[C@H]2C)n1 ZINC001348270805 981321804 /nfs/dbraw/zinc/32/18/04/981321804.db2.gz NULCOGQQYPFSLO-MRVPVSSYSA-N -1 3 243.257 2.115 20 0 BEADHM S=c1ccc(-c2ccc3c[nH]nc3c2)n[n-]1 ZINC001240555533 981474897 /nfs/dbraw/zinc/47/48/97/981474897.db2.gz LRIYKKVPAKHQNF-UHFFFAOYSA-N -1 3 228.280 2.309 20 0 BEADHM O=C([N-]O[C@@H]1CCCCO1)[C@H]1CCC[C@H](F)C1 ZINC001348971618 981488815 /nfs/dbraw/zinc/48/88/15/981488815.db2.gz FADONSDBQADCEW-GARJFASQSA-N -1 3 245.294 2.089 20 0 BEADHM [O-]c1ccc(F)cc1-c1cncc2nnoc21 ZINC001240697234 981614356 /nfs/dbraw/zinc/61/43/56/981614356.db2.gz ANFFDPCAZKGDKF-UHFFFAOYSA-N -1 3 231.186 2.130 20 0 BEADHM CN(C)c1ncc(-c2ccc([O-])c(F)c2)cn1 ZINC001240785518 981825144 /nfs/dbraw/zinc/82/51/44/981825144.db2.gz CMVZKLJVDRKPML-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM COc1ccc(C(=O)[N-]c2nocc2C2CC2)o1 ZINC001583707215 981834973 /nfs/dbraw/zinc/83/49/73/981834973.db2.gz KNLQNTOBNLFLAN-UHFFFAOYSA-N -1 3 248.238 2.406 20 0 BEADHM Cc1cc(-c2ccc([O-])c(F)c2)c(=O)n(C)c1 ZINC001240790091 981835380 /nfs/dbraw/zinc/83/53/80/981835380.db2.gz KNVKSSBVMROWHY-UHFFFAOYSA-N -1 3 233.242 2.205 20 0 BEADHM CC[C@H](C)COC(=O)Nc1cncc([O-])c1 ZINC001194763272 981893293 /nfs/dbraw/zinc/89/32/93/981893293.db2.gz KYQZTDVRKZCORF-QMMMGPOBSA-N -1 3 224.260 2.382 20 0 BEADHM O=C(Nc1ccc[nH]1)c1cnc(C(F)(F)F)[n-]1 ZINC001194772053 981898816 /nfs/dbraw/zinc/89/88/16/981898816.db2.gz BQDVTRALBKGLEW-UHFFFAOYSA-N -1 3 244.176 2.009 20 0 BEADHM Oc1cccc(-c2ccc(=S)[n-]n2)c1 ZINC001240923343 981985251 /nfs/dbraw/zinc/98/52/51/981985251.db2.gz JGHULODNTGUWMA-UHFFFAOYSA-N -1 3 204.254 2.138 20 0 BEADHM NC(=O)c1ccc(-c2c([O-])cccc2F)cc1 ZINC001250613741 982018679 /nfs/dbraw/zinc/01/86/79/982018679.db2.gz CBQAXJAEHXJQIC-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM C[Si](C)(C)CCS(=O)(=O)[N-]c1ccoc1 ZINC001195042126 982035969 /nfs/dbraw/zinc/03/59/69/982035969.db2.gz RSQHAUAXWVVWDP-UHFFFAOYSA-N -1 3 247.392 2.360 20 0 BEADHM CN(C)C(=O)c1cccnc1-c1ccccc1[O-] ZINC001241001826 982084433 /nfs/dbraw/zinc/08/44/33/982084433.db2.gz JADLKCQFKPJFMV-UHFFFAOYSA-N -1 3 242.278 2.156 20 0 BEADHM NC(=S)c1ccnc(-c2ccccc2[O-])c1 ZINC001241007982 982094304 /nfs/dbraw/zinc/09/43/04/982094304.db2.gz DAXMYEAMJMRHLE-UHFFFAOYSA-N -1 3 230.292 2.088 20 0 BEADHM Cn1ccc2nc(-c3ccccc3[O-])cnc21 ZINC001241013954 982106495 /nfs/dbraw/zinc/10/64/95/982106495.db2.gz QCLNBOGKKYORQX-UHFFFAOYSA-N -1 3 225.251 2.341 20 0 BEADHM Cc1ccc(-c2ccc(=S)[n-]n2)c(O)c1 ZINC001241036269 982138207 /nfs/dbraw/zinc/13/82/07/982138207.db2.gz SGCGAQGQFVLVNM-UHFFFAOYSA-N -1 3 218.281 2.446 20 0 BEADHM Cc1ccc(-c2cnc(F)cn2)c([O-])c1 ZINC001241043116 982145788 /nfs/dbraw/zinc/14/57/88/982145788.db2.gz HDJABWOTVWPFGZ-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM C=C/C=C\CCOc1cccc(-c2nnn[n-]2)c1 ZINC001588530458 982295734 /nfs/dbraw/zinc/29/57/34/982295734.db2.gz MMALRZWLKCUKDG-ARJAWSKDSA-N -1 3 242.282 2.378 20 0 BEADHM C=C/C=C\CCOc1cccc(-c2nn[n-]n2)c1 ZINC001588530458 982295745 /nfs/dbraw/zinc/29/57/45/982295745.db2.gz MMALRZWLKCUKDG-ARJAWSKDSA-N -1 3 242.282 2.378 20 0 BEADHM Nc1ccnc(-c2ccc(F)c(C(=O)[O-])c2)c1 ZINC001241241366 982384996 /nfs/dbraw/zinc/38/49/96/982384996.db2.gz HEAMWWORNMPJHP-UHFFFAOYSA-N -1 3 232.214 2.168 20 0 BEADHM Cc1cnnc(-c2cc([O-])cc(F)c2)c1 ZINC001241256975 982396001 /nfs/dbraw/zinc/39/60/01/982396001.db2.gz DDOHDTXPKGYHBW-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Cc1noc2ncnc(-c3cc([O-])cc(F)c3)c12 ZINC001241262237 982400340 /nfs/dbraw/zinc/40/03/40/982400340.db2.gz YDPGZTXFYLMULU-UHFFFAOYSA-N -1 3 245.213 2.438 20 0 BEADHM Nc1ncccc1-c1cc([O-])cc(F)c1 ZINC001241267389 982402441 /nfs/dbraw/zinc/40/24/41/982402441.db2.gz URTIOONCICVRHV-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM COC(=O)c1ncccc1-c1cc([O-])cc(F)c1 ZINC001241266914 982402566 /nfs/dbraw/zinc/40/25/66/982402566.db2.gz OMHSRMBLMDLSEF-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)/C=C/c1nccs1 ZINC001351946581 982414418 /nfs/dbraw/zinc/41/44/18/982414418.db2.gz MZSLSJHEFQRYPF-XNPJLODASA-N -1 3 240.328 2.250 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)/C=C/c1nccs1 ZINC001351946579 982415460 /nfs/dbraw/zinc/41/54/60/982415460.db2.gz MZSLSJHEFQRYPF-MOVJSRMASA-N -1 3 240.328 2.250 20 0 BEADHM [O-]c1ccc(F)c(-c2ccc3ncnn3c2)c1F ZINC001241290983 982428262 /nfs/dbraw/zinc/42/82/62/982428262.db2.gz GKVLMSJWFVGZIS-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM Cc1ncc(-c2c(F)ccc([O-])c2F)cn1 ZINC001241291544 982431837 /nfs/dbraw/zinc/43/18/37/982431837.db2.gz PMHBSLCNAYZBQR-UHFFFAOYSA-N -1 3 222.194 2.436 20 0 BEADHM COc1ncc(C)cc1-c1ccc(=S)[n-]n1 ZINC001241363145 982521039 /nfs/dbraw/zinc/52/10/39/982521039.db2.gz QUSHMIPWUFQIRF-UHFFFAOYSA-N -1 3 233.296 2.144 20 0 BEADHM Fc1ccncc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241443162 982600255 /nfs/dbraw/zinc/60/02/55/982600255.db2.gz ATNBENZYDLWJQL-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1ccncc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241443162 982600261 /nfs/dbraw/zinc/60/02/61/982600261.db2.gz ATNBENZYDLWJQL-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM CC(C)CO[N-]C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001352918141 982633806 /nfs/dbraw/zinc/63/38/06/982633806.db2.gz XCNBYFCDCBXBEX-LLVKDONJSA-N -1 3 243.347 2.286 20 0 BEADHM CC(C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001589436770 982789527 /nfs/dbraw/zinc/78/95/27/982789527.db2.gz JCMADIAKRFHAIT-SECBINFHSA-N -1 3 231.303 2.323 20 0 BEADHM Cn1cc2c(cccc2-c2ccc(=S)[n-]n2)n1 ZINC001241580844 982829642 /nfs/dbraw/zinc/82/96/42/982829642.db2.gz JINZMQMBJBFCFS-UHFFFAOYSA-N -1 3 242.307 2.319 20 0 BEADHM Cn1cc2cc(-c3ccc(=S)[n-]n3)ccc2n1 ZINC001241605605 982847714 /nfs/dbraw/zinc/84/77/14/982847714.db2.gz JDHKFMIQDHGPFC-UHFFFAOYSA-N -1 3 242.307 2.319 20 0 BEADHM CCC[C@H](C)CCCn1cc(-c2nnn[n-]2)cn1 ZINC001590549813 982958865 /nfs/dbraw/zinc/95/88/65/982958865.db2.gz NFABKCCFDIWNBL-JTQLQIEISA-N -1 3 248.334 2.280 20 0 BEADHM CCC[C@H](C)CCCn1cc(-c2nn[n-]n2)cn1 ZINC001590549813 982958881 /nfs/dbraw/zinc/95/88/81/982958881.db2.gz NFABKCCFDIWNBL-JTQLQIEISA-N -1 3 248.334 2.280 20 0 BEADHM CCOc1ccc(-c2ccc(=S)[n-]n2)cn1 ZINC001241702929 982963210 /nfs/dbraw/zinc/96/32/10/982963210.db2.gz PLSIJRFMJLRATH-UHFFFAOYSA-N -1 3 233.296 2.226 20 0 BEADHM CCCCN(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC001590600409 982963973 /nfs/dbraw/zinc/96/39/73/982963973.db2.gz SBXAKAXYEUFVSS-UHFFFAOYSA-N -1 3 245.330 2.493 20 0 BEADHM CCCCCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001590594553 982966234 /nfs/dbraw/zinc/96/62/34/982966234.db2.gz LSIMDXVLOUHQIN-UHFFFAOYSA-N -1 3 246.318 2.254 20 0 BEADHM CCCCCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001590594553 982966247 /nfs/dbraw/zinc/96/62/47/982966247.db2.gz LSIMDXVLOUHQIN-UHFFFAOYSA-N -1 3 246.318 2.254 20 0 BEADHM CC(=O)c1cccc([O-])c1NC(=O)C1=CC=CC1 ZINC001199694579 982994720 /nfs/dbraw/zinc/99/47/20/982994720.db2.gz UGDBVUZMASOJJO-UHFFFAOYSA-N -1 3 243.262 2.420 20 0 BEADHM Cc1cc(-c2nn[n-]n2)ccc1N[C@H](C)C1CC1 ZINC001591871583 983100556 /nfs/dbraw/zinc/10/05/56/983100556.db2.gz PMNAXDLYEZJOMX-SECBINFHSA-N -1 3 243.314 2.386 20 0 BEADHM Fc1ccc(-c2cscn2)cc1-c1nnn[n-]1 ZINC001241892277 983109639 /nfs/dbraw/zinc/10/96/39/983109639.db2.gz DATZTLZLAGKAFN-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM Fc1ccc(-c2cscn2)cc1-c1nn[n-]n1 ZINC001241892277 983109642 /nfs/dbraw/zinc/10/96/42/983109642.db2.gz DATZTLZLAGKAFN-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM Cc1cc(OC[C@H]2C[C@@H]2C)ccc1-c1nn[n-]n1 ZINC001592058783 983111092 /nfs/dbraw/zinc/11/10/92/983111092.db2.gz HAHDQAKVHGIBOU-WCBMZHEXSA-N -1 3 244.298 2.210 20 0 BEADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cscn1 ZINC001241893682 983112273 /nfs/dbraw/zinc/11/22/73/983112273.db2.gz OAEVXTHCKRBEIF-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cscn1 ZINC001241893682 983112281 /nfs/dbraw/zinc/11/22/81/983112281.db2.gz OAEVXTHCKRBEIF-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM Cc1cc(NCCCCF)cc(-c2nnn[n-]2)c1 ZINC001592047120 983112722 /nfs/dbraw/zinc/11/27/22/983112722.db2.gz JASSALYUEFRFKE-UHFFFAOYSA-N -1 3 249.293 2.337 20 0 BEADHM Cc1cc(NCCCCF)cc(-c2nn[n-]n2)c1 ZINC001592047120 983112726 /nfs/dbraw/zinc/11/27/26/983112726.db2.gz JASSALYUEFRFKE-UHFFFAOYSA-N -1 3 249.293 2.337 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@H]1C[C@@H]1C ZINC001592107977 983113894 /nfs/dbraw/zinc/11/38/94/983113894.db2.gz CZGFNELUJTYHAC-GXSJLCMTSA-N -1 3 244.298 2.210 20 0 BEADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@H]1C[C@@H]1C ZINC001592107977 983113900 /nfs/dbraw/zinc/11/39/00/983113900.db2.gz CZGFNELUJTYHAC-GXSJLCMTSA-N -1 3 244.298 2.210 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@@H]1C[C@@H]1C ZINC001592107980 983114146 /nfs/dbraw/zinc/11/41/46/983114146.db2.gz CZGFNELUJTYHAC-ONGXEEELSA-N -1 3 244.298 2.210 20 0 BEADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@@H]1C[C@@H]1C ZINC001592107980 983114152 /nfs/dbraw/zinc/11/41/52/983114152.db2.gz CZGFNELUJTYHAC-ONGXEEELSA-N -1 3 244.298 2.210 20 0 BEADHM C[C@H](C1CC1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001592181069 983116711 /nfs/dbraw/zinc/11/67/11/983116711.db2.gz OYJPJEXLSRLMHH-SECBINFHSA-N -1 3 231.295 2.499 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)cc1NC[C@@H]1C[C@@H]1C ZINC001592108399 983117935 /nfs/dbraw/zinc/11/79/35/983117935.db2.gz YGEWKQCHSCASSY-ONGXEEELSA-N -1 3 243.314 2.243 20 0 BEADHM Cc1ccc(-c2nn[n-]n2)cc1NC[C@@H]1C[C@@H]1C ZINC001592108399 983117942 /nfs/dbraw/zinc/11/79/42/983117942.db2.gz YGEWKQCHSCASSY-ONGXEEELSA-N -1 3 243.314 2.243 20 0 BEADHM CCSCC[C@@H](C)Nc1nc(C)cc(=O)[n-]1 ZINC001354119692 983162107 /nfs/dbraw/zinc/16/21/07/983162107.db2.gz DDDVUSVVMOKMGI-MRVPVSSYSA-N -1 3 241.360 2.434 20 0 BEADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@@H]1C=CCC1 ZINC001592636985 983188210 /nfs/dbraw/zinc/18/82/10/983188210.db2.gz MZEVSCXOPOZBFG-SECBINFHSA-N -1 3 245.261 2.136 20 0 BEADHM c1cc(CSC2CCC2)c(-c2nnn[n-]2)cn1 ZINC001593557530 983304855 /nfs/dbraw/zinc/30/48/55/983304855.db2.gz XEISIPPTSKQEOO-UHFFFAOYSA-N -1 3 247.327 2.047 20 0 BEADHM c1cc(CSC2CCC2)c(-c2nn[n-]n2)cn1 ZINC001593557530 983304861 /nfs/dbraw/zinc/30/48/61/983304861.db2.gz XEISIPPTSKQEOO-UHFFFAOYSA-N -1 3 247.327 2.047 20 0 BEADHM CC(=O)c1cccc(O)c1Nc1cncc([O-])c1 ZINC001201641214 983393354 /nfs/dbraw/zinc/39/33/54/983393354.db2.gz CKOOAQLZQOVQKT-UHFFFAOYSA-N -1 3 244.250 2.439 20 0 BEADHM CC(C)=C(C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001355034898 983397700 /nfs/dbraw/zinc/39/77/00/983397700.db2.gz SHSWCNGJMQPECE-UHFFFAOYSA-N -1 3 248.208 2.118 20 0 BEADHM CC(C)=C(C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001355034898 983397708 /nfs/dbraw/zinc/39/77/08/983397708.db2.gz SHSWCNGJMQPECE-UHFFFAOYSA-N -1 3 248.208 2.118 20 0 BEADHM CCn1cc(-c2ccc(F)cc2[O-])ccc1=O ZINC001242218701 983417849 /nfs/dbraw/zinc/41/78/49/983417849.db2.gz LQRARGUJRGGGTO-UHFFFAOYSA-N -1 3 233.242 2.380 20 0 BEADHM Cc1nc(N)ccc1-c1ccc(F)cc1[O-] ZINC001242218998 983420754 /nfs/dbraw/zinc/42/07/54/983420754.db2.gz GTWDHCZEPYEEJE-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM O=c1cc2[nH]cc(-c3ccc(F)cc3[O-])cc-2[nH]1 ZINC001242218182 983421235 /nfs/dbraw/zinc/42/12/35/983421235.db2.gz WTOKKVICCDQWIK-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@H]1C1CC1 ZINC000717041100 983506617 /nfs/dbraw/zinc/50/66/17/983506617.db2.gz WHNWPBVNHBPLBI-QWRGUYRKSA-N -1 3 231.295 2.229 20 0 BEADHM Cc1cnc(-c2cccc(F)c2[O-])cc1N ZINC001242349695 983614290 /nfs/dbraw/zinc/61/42/90/983614290.db2.gz XIWQVJKKHQETCC-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM O=C1NCc2cccc(-c3cccc(F)c3[O-])c21 ZINC001242350384 983617933 /nfs/dbraw/zinc/61/79/33/983617933.db2.gz CZHOGXBWOGPBFE-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM [O-]c1c(F)cccc1-c1ccc2ncnn2c1 ZINC001242350888 983621437 /nfs/dbraw/zinc/62/14/37/983621437.db2.gz KONOWVDFVOWVGW-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM O=C1NCc2ccc(-c3cccc(F)c3[O-])cc21 ZINC001242351754 983625248 /nfs/dbraw/zinc/62/52/48/983625248.db2.gz RKVSFHPKAOYCLP-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM CCn1ccc(-c2cccc(F)c2[O-])cc1=O ZINC001242352478 983628382 /nfs/dbraw/zinc/62/83/82/983628382.db2.gz KASFAVFMJGUBRY-UHFFFAOYSA-N -1 3 233.242 2.380 20 0 BEADHM Cc1c(CO)cccc1-c1ccc(=S)[n-]n1 ZINC001243013279 984368503 /nfs/dbraw/zinc/36/85/03/984368503.db2.gz MESGWABDVQKGJM-UHFFFAOYSA-N -1 3 232.308 2.233 20 0 BEADHM CCOc1cc(-c2ccc(F)c([O-])c2)ncn1 ZINC001243046689 984391011 /nfs/dbraw/zinc/39/10/11/984391011.db2.gz FLNKIBIWCZHHES-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM NC(=O)Cc1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243048115 984395470 /nfs/dbraw/zinc/39/54/70/984395470.db2.gz HGGMWWLGDYIYSG-UHFFFAOYSA-N -1 3 245.253 2.226 20 0 BEADHM Cc1nccc(-c2ccc(F)c([O-])c2)n1 ZINC001243049367 984401699 /nfs/dbraw/zinc/40/16/99/984401699.db2.gz RYNIDYDHFRCLHX-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM COc1cc(C)c(-c2ccc(F)c([O-])c2)nn1 ZINC001243053461 984409295 /nfs/dbraw/zinc/40/92/95/984409295.db2.gz DRJFGACFLURMNG-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM NC(=O)c1ccc(-c2ccc(F)c([O-])c2)cc1F ZINC001243050897 984409918 /nfs/dbraw/zinc/40/99/18/984409918.db2.gz HAHOMZDMNHGNNG-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM COc1ncnc(-c2ccc(F)c([O-])c2)c1C ZINC001243054983 984425364 /nfs/dbraw/zinc/42/53/64/984425364.db2.gz WYFSYRPTOWDLMA-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM [O-]c1cc(-c2ccc(F)nn2)ccc1F ZINC001243054989 984425407 /nfs/dbraw/zinc/42/54/07/984425407.db2.gz XFEBQKSVPKBRJJ-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM Cc1cnc(F)c(-c2ccc(=S)[n-]n2)c1 ZINC001243162324 984613676 /nfs/dbraw/zinc/61/36/76/984613676.db2.gz ISALYSOQVAFSEH-UHFFFAOYSA-N -1 3 221.260 2.275 20 0 BEADHM Cc1cc(C(=O)[O-])cc(-c2cccc(CN)n2)c1 ZINC001243179499 984639246 /nfs/dbraw/zinc/63/92/46/984639246.db2.gz WZBYGSIVJCFDLP-UHFFFAOYSA-N -1 3 242.278 2.214 20 0 BEADHM Cc1cc(-c2cc(N)ccn2)ccc1C(=O)[O-] ZINC001243212998 984711085 /nfs/dbraw/zinc/71/10/85/984711085.db2.gz YCSWHPKNEPDEOF-UHFFFAOYSA-N -1 3 228.251 2.337 20 0 BEADHM C[C@H]1C[C@H]1c1nnc(-c2ccc(F)c(=O)[n-]2)o1 ZINC001256726123 984801360 /nfs/dbraw/zinc/80/13/60/984801360.db2.gz IKYPZKJSAIXNMU-NTSWFWBYSA-N -1 3 235.218 2.100 20 0 BEADHM Cc1ncc(-c2ccc(-c3nnn[n-]3)cc2)s1 ZINC001243379167 984859888 /nfs/dbraw/zinc/85/98/88/984859888.db2.gz PEPUKVPJTSVSME-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM Cc1ncc(-c2ccc(-c3nn[n-]n3)cc2)s1 ZINC001243379167 984859893 /nfs/dbraw/zinc/85/98/93/984859893.db2.gz PEPUKVPJTSVSME-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM CCCC[C@@H](O)CCC(=O)[N-]OCCC1CC1 ZINC001450209327 984864571 /nfs/dbraw/zinc/86/45/71/984864571.db2.gz HPVQUKKOVUQOBN-GFCCVEGCSA-N -1 3 243.347 2.166 20 0 BEADHM Nc1cc(-c2ccc(=S)[n-]n2)ccc1F ZINC001243451221 984948219 /nfs/dbraw/zinc/94/82/19/984948219.db2.gz BYMFTIOROCMLBT-UHFFFAOYSA-N -1 3 221.260 2.154 20 0 BEADHM CN(C)c1nccnc1-c1cccc([O-])c1F ZINC001243544707 985076395 /nfs/dbraw/zinc/07/63/95/985076395.db2.gz TZKXVIOFXRMTLX-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM Cc1cnc(-c2cccc([O-])c2F)cn1 ZINC001243541922 985077430 /nfs/dbraw/zinc/07/74/30/985077430.db2.gz IRQGWXOROLCMBL-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Cc1nccnc1-c1cccc([O-])c1F ZINC001243542913 985079314 /nfs/dbraw/zinc/07/93/14/985079314.db2.gz PVDAPMAASSWOAW-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Nc1cncc(F)c1-c1cccc([O-])c1F ZINC001243545041 985087063 /nfs/dbraw/zinc/08/70/63/985087063.db2.gz OOGGQBCBTRHPJN-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM CC(C)n1ncc(-c2cccc([O-])c2F)cc1=O ZINC001243546351 985091468 /nfs/dbraw/zinc/09/14/68/985091468.db2.gz OBWZFAFUUDSRIT-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM CC[C@H](C)CC(=O)[N-]OCCC(F)(F)F ZINC000686762985 985210726 /nfs/dbraw/zinc/21/07/26/985210726.db2.gz YDEWEYFIWUYBPM-ZETCQYMHSA-N -1 3 227.226 2.423 20 0 BEADHM O=C([O-])c1cc(CNCCCC2CCC2)on1 ZINC000688363256 985616235 /nfs/dbraw/zinc/61/62/35/985616235.db2.gz DBGSRAPZOBTMJB-UHFFFAOYSA-N -1 3 238.287 2.043 20 0 BEADHM COc1cc(O)ccc1-c1ccc(=S)[n-]n1 ZINC001243978428 985706518 /nfs/dbraw/zinc/70/65/18/985706518.db2.gz DVPQUFRNVMDMKW-UHFFFAOYSA-N -1 3 234.280 2.147 20 0 BEADHM Cn1cncc1-c1c([O-])cccc1Cl ZINC001244032993 985776786 /nfs/dbraw/zinc/77/67/86/985776786.db2.gz HXNKTOFLVJWJQU-UHFFFAOYSA-N -1 3 208.648 2.446 20 0 BEADHM Cc1nnc([N-]c2ccc(CO)c(Cl)c2)o1 ZINC001212888098 985890061 /nfs/dbraw/zinc/89/00/61/985890061.db2.gz FBWFPANOSYIRFM-UHFFFAOYSA-N -1 3 239.662 2.267 20 0 BEADHM Nc1ccc(F)cc1-c1ccc(=S)[n-]n1 ZINC001244396888 986050677 /nfs/dbraw/zinc/05/06/77/986050677.db2.gz WYINIXMCFFHVRS-UHFFFAOYSA-N -1 3 221.260 2.154 20 0 BEADHM Cn1cccc(-c2ccc(Cl)cc2[O-])c1=O ZINC001244473491 986150523 /nfs/dbraw/zinc/15/05/23/986150523.db2.gz TVTGWOKCLPLHIK-UHFFFAOYSA-N -1 3 235.670 2.411 20 0 BEADHM Cn1c(=O)cccc1-c1ccc(Cl)cc1[O-] ZINC001244473471 986156584 /nfs/dbraw/zinc/15/65/84/986156584.db2.gz SUPLIWJXVHZRPT-UHFFFAOYSA-N -1 3 235.670 2.411 20 0 BEADHM CCCCCC[C@@H](C)[N-]S(=O)(=O)C(F)F ZINC001259963100 986384100 /nfs/dbraw/zinc/38/41/00/986384100.db2.gz QRTKSXWYPGRLCQ-MRVPVSSYSA-N -1 3 243.319 2.487 20 0 BEADHM [O-]c1ccc(Cl)cc1-c1cc2c(nn1)CNC2 ZINC001245048130 986604855 /nfs/dbraw/zinc/60/48/55/986604855.db2.gz FVHBMQZWRHOLCN-UHFFFAOYSA-N -1 3 247.685 2.106 20 0 BEADHM S=C1Cc2ccc(-c3cc[nH]n3)cc2[N-]1 ZINC001245315628 986811778 /nfs/dbraw/zinc/81/17/78/986811778.db2.gz WBHLZZFVZZGGLM-UHFFFAOYSA-N -1 3 215.281 2.372 20 0 BEADHM CC(C)c1coc([N-]C(=O)c2cnco2)n1 ZINC001468220271 986890855 /nfs/dbraw/zinc/89/08/55/986890855.db2.gz WCYFZXDVQIVYKL-UHFFFAOYSA-N -1 3 221.216 2.038 20 0 BEADHM CC=C(C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001468311128 986903339 /nfs/dbraw/zinc/90/33/39/986903339.db2.gz OVTYAXXCXGOVQZ-XVNBXDOJSA-N -1 3 231.255 2.173 20 0 BEADHM Nc1ncccc1-c1c([O-])cccc1F ZINC001245652584 987020635 /nfs/dbraw/zinc/02/06/35/987020635.db2.gz FDRTVFRFFKJZOS-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM COc1nccc(-c2c([O-])cccc2F)c1N ZINC001245653598 987024243 /nfs/dbraw/zinc/02/42/43/987024243.db2.gz NWSCQXPKBIXRIT-UHFFFAOYSA-N -1 3 234.230 2.184 20 0 BEADHM Nc1ccc(-c2c([O-])cccc2F)cn1 ZINC001245653988 987025997 /nfs/dbraw/zinc/02/59/97/987025997.db2.gz CGLWWRKLLQRJNZ-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM COC(=O)c1cncc(-c2c([O-])cccc2F)c1 ZINC001245655147 987034674 /nfs/dbraw/zinc/03/46/74/987034674.db2.gz VSVZBDLCKDPXIR-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM O=c1cc2[nH]cc(-c3c([O-])cccc3F)cc-2[nH]1 ZINC001245656640 987036602 /nfs/dbraw/zinc/03/66/02/987036602.db2.gz QSYBYTPRTCDWNT-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM [O-]c1cccc(F)c1-c1ccc2nncn2c1 ZINC001245656803 987039126 /nfs/dbraw/zinc/03/91/26/987039126.db2.gz UAWLBOJAVGQVOB-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM [O-]c1cccc(F)c1-c1cccc2ncnn21 ZINC001245656735 987041263 /nfs/dbraw/zinc/04/12/63/987041263.db2.gz SJELSMFISITSBF-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM C/C=C\CN[C@H](C)c1ccccc1OCC(=O)[O-] ZINC001594686447 987066654 /nfs/dbraw/zinc/06/66/54/987066654.db2.gz WCAMIDZEMFEXBL-DLRQAJBASA-N -1 3 249.310 2.377 20 0 BEADHM CCc1nc[nH]c1C(=O)Nc1cccc(F)c1[O-] ZINC001471167351 987082451 /nfs/dbraw/zinc/08/24/51/987082451.db2.gz ABUVBHTTWUHQOX-UHFFFAOYSA-N -1 3 249.245 2.069 20 0 BEADHM C/C(=C/CN1CCC(F)(F)C[C@@H]1C)C(=O)[O-] ZINC000696414777 987343665 /nfs/dbraw/zinc/34/36/65/987343665.db2.gz GCSCTLSNQWDEMC-CHDHTGKKSA-N -1 3 233.258 2.137 20 0 BEADHM Cc1ccccc1C(F)(F)C(=O)[N-]CC(F)F ZINC001116417008 987560428 /nfs/dbraw/zinc/56/04/28/987560428.db2.gz BIENJQBACCGSHK-UHFFFAOYSA-N -1 3 249.207 2.468 20 0 BEADHM CC(C)(C)[C@@H](NC/C(Cl)=C\Cl)C(=O)[O-] ZINC001589716734 987861112 /nfs/dbraw/zinc/86/11/12/987861112.db2.gz HIFSOFVXMMQQDG-KNIZRNDPSA-N -1 3 240.130 2.394 20 0 BEADHM Cc1nc(C)c(C(=O)[N-]c2c(C)noc2C)o1 ZINC001323408313 988520722 /nfs/dbraw/zinc/52/07/22/988520722.db2.gz ZRXVSCOJOANUNB-UHFFFAOYSA-N -1 3 235.243 2.149 20 0 BEADHM CC[C@@H](CSC)N(C)c1nc(C)cc(=O)[n-]1 ZINC001515607907 989077466 /nfs/dbraw/zinc/07/74/66/989077466.db2.gz XDRHUMRMSXHLDG-VIFPVBQESA-N -1 3 241.360 2.068 20 0 BEADHM COc1c(C)cccc1Nc1cnc[n-]c1=O ZINC001248522293 989112613 /nfs/dbraw/zinc/11/26/13/989112613.db2.gz XXSCYUCHLPSHIU-UHFFFAOYSA-N -1 3 231.255 2.243 20 0 BEADHM Cc1cccc(F)c1C(=O)Nc1ncccc1[O-] ZINC001325200037 989118459 /nfs/dbraw/zinc/11/84/59/989118459.db2.gz IKOHJBMWSNNZGV-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM C/C(=C\CN[C@@H](C)c1ncccc1C)C(=O)[O-] ZINC001602974271 989286224 /nfs/dbraw/zinc/28/62/24/989286224.db2.gz ACCFLAPGKKCWSM-RUYJGKKWSA-N -1 3 234.299 2.072 20 0 BEADHM CCc1ccc(C(=O)NC2(C)CC2)c([O-])c1 ZINC001326159468 989394757 /nfs/dbraw/zinc/39/47/57/989394757.db2.gz CGPYPXXNIIIPNE-UHFFFAOYSA-N -1 3 219.284 2.237 20 0 BEADHM Cc1cc(=O)[n-]c(N2CC[C@@H](C3CCC3)C2)n1 ZINC001120856485 989925249 /nfs/dbraw/zinc/92/52/49/989925249.db2.gz FSKLJPDXCKUXOS-LLVKDONJSA-N -1 3 233.315 2.117 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]1F ZINC001528046102 990264745 /nfs/dbraw/zinc/26/47/45/990264745.db2.gz JCAKVZHFWMWDMH-RNFRBKRXSA-N -1 3 229.638 2.342 20 0 BEADHM CSc1cc(C(=O)[N-]c2cnoc2)co1 ZINC001536804170 990491743 /nfs/dbraw/zinc/49/17/43/990491743.db2.gz FOOMCQQOWOLYKO-UHFFFAOYSA-N -1 3 224.241 2.242 20 0 BEADHM CC(C)(F)CNCc1ccc(C(=O)[O-])c(F)c1 ZINC001590833781 990689786 /nfs/dbraw/zinc/68/97/86/990689786.db2.gz OMVODFAIGBCNLU-UHFFFAOYSA-N -1 3 243.253 2.362 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCC[C@@H]2C(C)C)n1 ZINC001548507739 990766058 /nfs/dbraw/zinc/76/60/58/990766058.db2.gz DGVKUWFAPAWCPA-SNVBAGLBSA-N -1 3 221.304 2.115 20 0 BEADHM [O-]c1cccnc1CN1CC[C@@H](C(F)(F)F)C1 ZINC001138395268 990933654 /nfs/dbraw/zinc/93/36/54/990933654.db2.gz YEVPFDQXVBSMFU-MRVPVSSYSA-N -1 3 246.232 2.171 20 0 BEADHM CC(C)CCc1nnc(-c2ccc([O-])c(=O)[nH]2)o1 ZINC001258344296 991273427 /nfs/dbraw/zinc/27/34/27/991273427.db2.gz VHGSNNCZMMHWOU-UHFFFAOYSA-N -1 3 249.270 2.131 20 0 BEADHM CC1(C)CC[C@@H]([NH2+]CCCCP(=O)([O-])[O-])C1 ZINC001258595852 991489049 /nfs/dbraw/zinc/48/90/49/991489049.db2.gz NDJAILHDWZMFPS-SNVBAGLBSA-N -1 3 249.291 2.113 20 0 BEADHM C[C@@H]1CN(Cc2ccncc2[O-])CCC1(F)F ZINC001140274400 991576519 /nfs/dbraw/zinc/57/65/19/991576519.db2.gz CAXSGNRWFHHTEX-SECBINFHSA-N -1 3 242.269 2.264 20 0 BEADHM Cc1ncc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)c(=O)[n-]1 ZINC001258691817 991627497 /nfs/dbraw/zinc/62/74/97/991627497.db2.gz IWNQNUWACBAWMB-YUSALJHKSA-N -1 3 249.358 2.189 20 0 BEADHM O=C([O-])c1ccccc1CN1CCC[C@@H]1CF ZINC001140509195 991658385 /nfs/dbraw/zinc/65/83/85/991658385.db2.gz GOOOLOMNTYIVGE-LLVKDONJSA-N -1 3 237.274 2.319 20 0 BEADHM C[C@@H]1CCC[C@H]([NH2+]CCCCP(=O)([O-])[O-])C1 ZINC001258810537 991818663 /nfs/dbraw/zinc/81/86/63/991818663.db2.gz NSLVKDXIHJINEA-MNOVXSKESA-N -1 3 249.291 2.113 20 0 BEADHM Cc1nc(CCC(=O)[N-]OCC(C)C)cs1 ZINC001319507015 991882432 /nfs/dbraw/zinc/88/24/32/991882432.db2.gz PAMLDYWGYRBIIQ-UHFFFAOYSA-N -1 3 242.344 2.088 20 0 BEADHM CCC1([N-]S(=O)(=O)C(F)F)CCCCC1 ZINC001259963118 992068955 /nfs/dbraw/zinc/06/89/55/992068955.db2.gz RCVSCASRQMPXOO-UHFFFAOYSA-N -1 3 241.303 2.241 20 0 BEADHM CC[C@@H](C)S(=O)(=O)[N-]c1cc(C)cc(C)n1 ZINC001260722041 992132004 /nfs/dbraw/zinc/13/20/04/992132004.db2.gz MVENDVMLXUGXBY-SNVBAGLBSA-N -1 3 242.344 2.239 20 0 BEADHM CC[C@@H](C)S(=O)(=O)[N-]c1ccccc1OC ZINC001260723739 992135333 /nfs/dbraw/zinc/13/53/33/992135333.db2.gz QVSHWTPFTLKBRL-SECBINFHSA-N -1 3 243.328 2.235 20 0 BEADHM O=C([O-])[C@@H]1C[C@H]1CN1CC[C@H]1c1ccc(F)cc1 ZINC001574395886 992854817 /nfs/dbraw/zinc/85/48/17/992854817.db2.gz UWRAQOQYYKILET-UHTWSYAYSA-N -1 3 249.285 2.293 20 0 BEADHM CC[C@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001262678436 993019379 /nfs/dbraw/zinc/01/93/79/993019379.db2.gz ACBOMCSKDDTJBA-JTQLQIEISA-N -1 3 221.304 2.117 20 0 BEADHM CC[C@@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001262678437 993020575 /nfs/dbraw/zinc/02/05/75/993020575.db2.gz ACBOMCSKDDTJBA-SNVBAGLBSA-N -1 3 221.304 2.117 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@H]2CCCC2(F)F)n1 ZINC001262698079 993039236 /nfs/dbraw/zinc/03/92/36/993039236.db2.gz JERKMSJBKWUPBD-MRVPVSSYSA-N -1 3 243.257 2.338 20 0 BEADHM Cc1cc(=O)[n-]c(N(Cc2ccoc2)C2CC2)n1 ZINC001262708100 993050782 /nfs/dbraw/zinc/05/07/82/993050782.db2.gz QCJCPFPGXLYHOT-UHFFFAOYSA-N -1 3 245.282 2.253 20 0 BEADHM Cc1cc(-c2ccc(=S)[n-]n2)cc(C)n1 ZINC000382213703 993445700 /nfs/dbraw/zinc/44/57/00/993445700.db2.gz HOWHGBXUVDSAOB-UHFFFAOYSA-N -1 3 217.297 2.444 20 0 BEADHM Cc1nonc1[N-]C(=O)c1coc(C(F)F)c1 ZINC001264916545 993802478 /nfs/dbraw/zinc/80/24/78/993802478.db2.gz OBSVCJHMHQVAPM-UHFFFAOYSA-N -1 3 243.169 2.161 20 0 BEADHM O=C(NCC1CC1)Nc1ccc([O-])c(F)c1 ZINC000701041173 993866701 /nfs/dbraw/zinc/86/67/01/993866701.db2.gz USWURBSSLCOPCE-UHFFFAOYSA-N -1 3 224.235 2.063 20 0 BEADHM Cc1nc(C(=O)Nc2cccc([O-])c2F)co1 ZINC001295128490 994736551 /nfs/dbraw/zinc/73/65/51/994736551.db2.gz VDQOOTNETUSTPL-UHFFFAOYSA-N -1 3 236.202 2.080 20 0 BEADHM C/C(=C/C(=O)Nc1ncccc1[O-])c1ccco1 ZINC001296266883 994808686 /nfs/dbraw/zinc/80/86/86/994808686.db2.gz GIOGHNMWYDXWQO-HJWRWDBZSA-N -1 3 244.250 2.422 20 0 BEADHM CC1=C[C@@H](C)CN(Cc2occc2C(=O)[O-])C1 ZINC001594110465 998211132 /nfs/dbraw/zinc/21/11/32/998211132.db2.gz WPVPVDOJKGTTCI-SECBINFHSA-N -1 3 235.283 2.376 20 0 BEADHM O=C([O-])c1ccc(CNCc2ccccc2)[nH]1 ZINC001608887116 1170207163 /nfs/dbraw/zinc/20/71/63/1170207163.db2.gz BPQNZNIXBCOVDD-UHFFFAOYSA-N -1 3 230.267 2.003 20 0 BEADHM CC(C)=CCNc1cccc(F)c1-c1nnn[n-]1 ZINC001609085668 1170227374 /nfs/dbraw/zinc/22/73/74/1170227374.db2.gz KHNJCDJBGNOKGC-UHFFFAOYSA-N -1 3 247.277 2.384 20 0 BEADHM CC(C)=CCNc1cccc(F)c1-c1nn[n-]n1 ZINC001609085668 1170227379 /nfs/dbraw/zinc/22/73/79/1170227379.db2.gz KHNJCDJBGNOKGC-UHFFFAOYSA-N -1 3 247.277 2.384 20 0 BEADHM CC(C)CCCn1ccc(-c2nnn[n-]2)c1 ZINC001609094293 1170227396 /nfs/dbraw/zinc/22/73/96/1170227396.db2.gz QQGOIICIMKCWDI-UHFFFAOYSA-N -1 3 219.292 2.104 20 0 BEADHM CC(C)CCCn1ccc(-c2nn[n-]n2)c1 ZINC001609094293 1170227399 /nfs/dbraw/zinc/22/73/99/1170227399.db2.gz QQGOIICIMKCWDI-UHFFFAOYSA-N -1 3 219.292 2.104 20 0 BEADHM CCC(C)(C)CNc1cnccc1-c1nnn[n-]1 ZINC001609182501 1170235784 /nfs/dbraw/zinc/23/57/84/1170235784.db2.gz IAKAMFKYMLLIJX-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CCC(C)(C)CNc1cnccc1-c1nn[n-]n1 ZINC001609182501 1170235792 /nfs/dbraw/zinc/23/57/92/1170235792.db2.gz IAKAMFKYMLLIJX-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM Cc1cc(SCCF)ccc1-c1nnn[n-]1 ZINC001609413126 1170258558 /nfs/dbraw/zinc/25/85/58/1170258558.db2.gz IQPLIQSAMORRFE-UHFFFAOYSA-N -1 3 238.291 2.237 20 0 BEADHM Cc1cc(SCCF)ccc1-c1nn[n-]n1 ZINC001609413126 1170258568 /nfs/dbraw/zinc/25/85/68/1170258568.db2.gz IQPLIQSAMORRFE-UHFFFAOYSA-N -1 3 238.291 2.237 20 0 BEADHM C[C@H](NC1(C)CC1)c1cc(C(=O)[O-])co1 ZINC001609772978 1170286365 /nfs/dbraw/zinc/28/63/65/1170286365.db2.gz DKTAALCXQWSKIN-ZETCQYMHSA-N -1 3 209.245 2.181 20 0 BEADHM CC[C@H](COC)N[C@H](C)c1cc(C(=O)[O-])co1 ZINC001609926058 1170319817 /nfs/dbraw/zinc/31/98/17/1170319817.db2.gz IQVQRTPHFCQUEB-PSASIEDQSA-N -1 3 241.287 2.053 20 0 BEADHM O=C(Nc1cccc([O-])c1F)c1ccns1 ZINC001630731423 1171417572 /nfs/dbraw/zinc/41/75/72/1171417572.db2.gz OEAGCDUUQVXSNO-UHFFFAOYSA-N -1 3 238.243 2.240 20 0 BEADHM CCc1[nH]cnc1C(=O)Nc1cccc([O-])c1F ZINC001636439893 1171834222 /nfs/dbraw/zinc/83/42/22/1171834222.db2.gz ZVKRSRYYIALGIP-UHFFFAOYSA-N -1 3 249.245 2.069 20 0 BEADHM CCC(C)(CC)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000330664041 168311687 /nfs/dbraw/zinc/31/16/87/168311687.db2.gz VNRDWEXLZHEUQQ-UHFFFAOYSA-N -1 3 245.344 2.445 20 0 BEADHM CC1(C)CCCN1Cc1cc(C(=O)[O-])co1 ZINC000063067605 349505961 /nfs/dbraw/zinc/50/59/61/349505961.db2.gz LRFPSVFNDDSGOV-UHFFFAOYSA-N -1 3 223.272 2.352 20 0 BEADHM C[C@H]1C[C@H](c2nc3cccnc3c(=O)[n-]2)CCO1 ZINC000491593891 538921417 /nfs/dbraw/zinc/92/14/17/538921417.db2.gz KNLJRPMCRRVHCP-DTWKUNHWSA-N -1 3 245.282 2.013 20 0 BEADHM O=C(Nc1ccc(F)c(C2CC2)c1)c1cnn[n-]1 ZINC000558679830 398191662 /nfs/dbraw/zinc/19/16/62/398191662.db2.gz ZETIFOTXADQYPN-UHFFFAOYSA-N -1 3 246.245 2.074 20 0 BEADHM O=C(Nc1ccc(F)c(C2CC2)c1)c1c[n-]nn1 ZINC000558679830 398191666 /nfs/dbraw/zinc/19/16/66/398191666.db2.gz ZETIFOTXADQYPN-UHFFFAOYSA-N -1 3 246.245 2.074 20 0 BEADHM O=C(Nc1ccc(F)c(C2CC2)c1)c1cn[n-]n1 ZINC000558679830 398191672 /nfs/dbraw/zinc/19/16/72/398191672.db2.gz ZETIFOTXADQYPN-UHFFFAOYSA-N -1 3 246.245 2.074 20 0 BEADHM Cc1nc(C)c(C(=O)Nc2ccccc2[O-])o1 ZINC000175184337 365536273 /nfs/dbraw/zinc/53/62/73/365536273.db2.gz AOUGQKIELRXXLL-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM O=c1[n-]c(CCC(F)(F)F)nc2cccnc12 ZINC000491842537 538922288 /nfs/dbraw/zinc/92/22/88/538922288.db2.gz DOBRKIGBDPTGEY-UHFFFAOYSA-N -1 3 243.188 2.225 20 0 BEADHM Cc1ccc(CCC(=O)Nc2ncccc2[O-])o1 ZINC000175278856 365542019 /nfs/dbraw/zinc/54/20/19/365542019.db2.gz NTALVJUMBNNWRA-UHFFFAOYSA-N -1 3 246.266 2.260 20 0 BEADHM CCOCCCc1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000272145065 538925239 /nfs/dbraw/zinc/92/52/39/538925239.db2.gz ATZDKYRGGSWADP-UHFFFAOYSA-N -1 3 248.282 2.010 20 0 BEADHM C[C@@H](CNC(=O)c1cccc([O-])c1)C1CC1 ZINC000163667248 538929924 /nfs/dbraw/zinc/92/99/24/538929924.db2.gz LOLASHFKYGLSNO-VIFPVBQESA-N -1 3 219.284 2.168 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000192619106 178202324 /nfs/dbraw/zinc/20/23/24/178202324.db2.gz PECDCQMLVSTTID-SDDRHHMPSA-N -1 3 247.342 2.284 20 0 BEADHM Cc1[nH]ccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000176166788 365685754 /nfs/dbraw/zinc/68/57/54/365685754.db2.gz QWMMTCUOXJFTCW-UHFFFAOYSA-N -1 3 248.257 2.098 20 0 BEADHM Cc1ccc(C(=O)N2CCC[C@H]2C)c([O-])c1 ZINC000037912274 178390586 /nfs/dbraw/zinc/39/05/86/178390586.db2.gz UPNKVLQASUIFJI-SNVBAGLBSA-N -1 3 219.284 2.325 20 0 BEADHM Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000294416549 178398749 /nfs/dbraw/zinc/39/87/49/178398749.db2.gz ZFNAFOQWRBHYKF-ZJUUUORDSA-N -1 3 219.284 2.181 20 0 BEADHM Cc1ccc(C(=O)NOCC(C)C)c([O-])c1 ZINC000124524317 178418431 /nfs/dbraw/zinc/41/84/31/178418431.db2.gz JQUXCOUISGPNTR-UHFFFAOYSA-N -1 3 223.272 2.018 20 0 BEADHM CC(C)N(C(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000193214997 346849721 /nfs/dbraw/zinc/84/97/21/346849721.db2.gz QRJLHTUNPLXSPN-UHFFFAOYSA-N -1 3 235.283 2.111 20 0 BEADHM O=C([O-])c1ccc(CN2C[C@@H]3CCC[C@H]3C2)o1 ZINC000083362249 398278174 /nfs/dbraw/zinc/27/81/74/398278174.db2.gz NNPUGOFFEIDBSG-UWVGGRQHSA-N -1 3 235.283 2.210 20 0 BEADHM CC(C)c1c(-c2ccccc2)[n-]n(C)c1=O ZINC000634583134 342800273 /nfs/dbraw/zinc/80/02/73/342800273.db2.gz MCAODIMZCJERCC-LLVKDONJSA-N -1 3 216.284 2.135 20 0 BEADHM CCCCOCC[S@](=O)c1ccc([O-])cc1 ZINC000108085050 342791984 /nfs/dbraw/zinc/79/19/84/342791984.db2.gz VGUYSRLELQZIQI-MRXNPFEDSA-N -1 3 242.340 2.317 20 0 BEADHM Cc1[n-]n(Cc2ccccc2)c(=O)c1C1CC1 ZINC000634583966 342825318 /nfs/dbraw/zinc/82/53/18/342825318.db2.gz NIEJPCIPUSPXFU-ZDUSSCGKSA-N -1 3 228.295 2.431 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H](F)C2)c1 ZINC000335740098 398296671 /nfs/dbraw/zinc/29/66/71/398296671.db2.gz KJLDVESKVPRHFY-VHSXEESVSA-N -1 3 237.274 2.321 20 0 BEADHM O=C(N[C@@H]1CCCC12CC2)c1c([O-])cccc1O ZINC000640750225 361989367 /nfs/dbraw/zinc/98/93/67/361989367.db2.gz AKRLYFFWULCOGA-LLVKDONJSA-N -1 3 247.294 2.160 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](F)C1 ZINC000628012401 342871405 /nfs/dbraw/zinc/87/14/05/342871405.db2.gz KLJPNWAHMIGBSX-SNVBAGLBSA-N -1 3 237.274 2.275 20 0 BEADHM CCN(CCCO)Cc1cc([O-])ccc1Cl ZINC000625198971 342909159 /nfs/dbraw/zinc/90/91/59/342909159.db2.gz ZDWDPFVIZZDTFT-UHFFFAOYSA-N -1 3 243.734 2.250 20 0 BEADHM CC(C)(C)Cn1ncc2cc([O-])ccc2c1=O ZINC000634588500 342934316 /nfs/dbraw/zinc/93/43/16/342934316.db2.gz VFUKPRJVCCMDQT-UHFFFAOYSA-N -1 3 232.283 2.148 20 0 BEADHM C[C@H]1CCC[C@@H]1Nc1ccncc1C(=O)[O-] ZINC000088109896 259331543 /nfs/dbraw/zinc/33/15/43/259331543.db2.gz BCTGWPLMBBLRGY-WPRPVWTQSA-N -1 3 220.272 2.380 20 0 BEADHM C[C@H]1CCC[C@H]1Nc1ccncc1C(=O)[O-] ZINC000088109898 259331573 /nfs/dbraw/zinc/33/15/73/259331573.db2.gz BCTGWPLMBBLRGY-WCBMZHEXSA-N -1 3 220.272 2.380 20 0 BEADHM C[C@@H]1CCc2[n-]n(CC3CCCC3)c(=O)c21 ZINC000634591473 342942154 /nfs/dbraw/zinc/94/21/54/342942154.db2.gz DYHWARFURUFSOB-BXKDBHETSA-N -1 3 220.316 2.421 20 0 BEADHM CCc1[n-]n(Cc2cccnc2)c(=O)c1C(C)C ZINC000634591739 342943908 /nfs/dbraw/zinc/94/39/08/342943908.db2.gz LZGDLIUCHKGYHN-ZDUSSCGKSA-N -1 3 245.326 2.462 20 0 BEADHM CCc1cc(C(=O)Nc2cnns2)ccc1[O-] ZINC000487339997 529521314 /nfs/dbraw/zinc/52/13/14/529521314.db2.gz BEQJWJFYJOOIHK-UHFFFAOYSA-N -1 3 249.295 2.058 20 0 BEADHM CCc1ccc([O-])c(C(=O)NCCSC)c1 ZINC000608789468 342968470 /nfs/dbraw/zinc/96/84/70/342968470.db2.gz RCTMAZZQGAFANY-UHFFFAOYSA-N -1 3 239.340 2.047 20 0 BEADHM CSCCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000608789485 342968487 /nfs/dbraw/zinc/96/84/87/342968487.db2.gz UNUHNHPUAIUVGP-UHFFFAOYSA-N -1 3 239.340 2.102 20 0 BEADHM C[C@H](C1CC1)n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634597304 342973698 /nfs/dbraw/zinc/97/36/98/342973698.db2.gz GUGYYZAPRIXVKF-SOCHQFKDSA-N -1 3 206.289 2.029 20 0 BEADHM CCc1[n-]n(C[C@@H]2CCCO2)c(=O)c1C(C)C ZINC000634598380 342980883 /nfs/dbraw/zinc/98/08/83/342980883.db2.gz JJXZMVZEIRRTFQ-CMPLNLGQSA-N -1 3 238.331 2.046 20 0 BEADHM CCc1[n-]n(C[C@@H]2CCCO2)c(=O)c1C(C)C ZINC000634598381 342981267 /nfs/dbraw/zinc/98/12/67/342981267.db2.gz JJXZMVZEIRRTFQ-JQWIXIFHSA-N -1 3 238.331 2.046 20 0 BEADHM CCc1[n-]n(C2CCOCC2)c(=O)c1C(C)C ZINC000634602080 342997108 /nfs/dbraw/zinc/99/71/08/342997108.db2.gz GMHBAPSUHJARCC-LBPRGKRZSA-N -1 3 238.331 2.046 20 0 BEADHM CCc1ccc(/C=C\C(=O)[N-]OCC2CC2)o1 ZINC000493416045 529587622 /nfs/dbraw/zinc/58/76/22/529587622.db2.gz HCFVGLQMZVNDCF-FPLPWBNLSA-N -1 3 235.283 2.313 20 0 BEADHM C[C@H](n1[n-]c2c(c1=O)[C@H](C)CC2)C(F)(F)F ZINC000634630845 343041685 /nfs/dbraw/zinc/04/16/85/343041685.db2.gz FVWBFQQOUFVQCO-GKROBHDKSA-N -1 3 234.221 2.182 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CC[C@@H]2C2CC2)c1 ZINC000334528094 536818713 /nfs/dbraw/zinc/81/87/13/536818713.db2.gz VBYUZZFLPDVIMN-GFCCVEGCSA-N -1 3 247.294 2.025 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)/C=C\c1cnccc1C ZINC000492933392 529669838 /nfs/dbraw/zinc/66/98/38/529669838.db2.gz ZNHVPMHUIRGYDK-GZTOBOFZSA-N -1 3 248.326 2.497 20 0 BEADHM CC(C)c1cnc(S(=O)(=O)CC2CCC2)[n-]1 ZINC000634534591 362029447 /nfs/dbraw/zinc/02/94/47/362029447.db2.gz AEHQLLUALSZELH-UHFFFAOYSA-N -1 3 242.344 2.107 20 0 BEADHM CC(C)c1c[n-]c(S(=O)(=O)CC2CCC2)n1 ZINC000634534591 362029450 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/nfs/dbraw/zinc/39/26/80/343392680.db2.gz LYNOYSKTINQRIU-UHFFFAOYSA-N -1 3 224.647 2.328 20 0 BEADHM CC[C@H]1CO[C@@H](C)CN1C(=O)c1cccc([O-])c1 ZINC000042451919 343439136 /nfs/dbraw/zinc/43/91/36/343439136.db2.gz APZAICFHFONZRK-JQWIXIFHSA-N -1 3 249.310 2.032 20 0 BEADHM CCN(Cc1ccsc1C(=O)[O-])C1CC1 ZINC000082501610 343442990 /nfs/dbraw/zinc/44/29/90/343442990.db2.gz VYJBLARJTNJLIV-UHFFFAOYSA-N -1 3 225.313 2.431 20 0 BEADHM CCN(CC(F)(F)F)C(=O)c1ccccc1[O-] ZINC000047872995 343566706 /nfs/dbraw/zinc/56/67/06/343566706.db2.gz UYYARDNBKCCBRX-UHFFFAOYSA-N -1 3 247.216 2.417 20 0 BEADHM CCN(Cc1cc([O-])ccc1Cl)[C@H](C)CO ZINC000625443757 343755353 /nfs/dbraw/zinc/75/53/53/343755353.db2.gz NTWDVFRQIUABSC-SECBINFHSA-N -1 3 243.734 2.248 20 0 BEADHM CN(CCC1CC1)C(=O)/C=C\c1cncc([O-])c1 ZINC000492476111 529875660 /nfs/dbraw/zinc/87/56/60/529875660.db2.gz RYRDMYDUWCIFGA-PLNGDYQASA-N -1 3 246.310 2.059 20 0 BEADHM CC(C)N(CCO)Cc1cccc([O-])c1Cl ZINC000294864574 187351764 /nfs/dbraw/zinc/35/17/64/187351764.db2.gz JRPSIXSNBJKDCF-UHFFFAOYSA-N -1 3 243.734 2.248 20 0 BEADHM C[C@@H](CCO)N(C)Cc1cc([O-])ccc1Cl ZINC000625514814 343914755 /nfs/dbraw/zinc/91/47/55/343914755.db2.gz UNUVZGMHFXBXCR-VIFPVBQESA-N -1 3 243.734 2.248 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2CC[C@H]3C[C@H]3C2)c1 ZINC000619356869 343931967 /nfs/dbraw/zinc/93/19/67/343931967.db2.gz DFRVXTIOJMVWBX-RYUDHWBXSA-N -1 3 245.322 2.437 20 0 BEADHM C[C@H]1CN(Cc2ncccc2[O-])CCC1(F)F ZINC000558570939 343973562 /nfs/dbraw/zinc/97/35/62/343973562.db2.gz ZLKJGNDQULKZJG-VIFPVBQESA-N -1 3 242.269 2.264 20 0 BEADHM CCc1cccc(C(=O)N2CC[C@H]2C)c1[O-] ZINC000641241023 362299177 /nfs/dbraw/zinc/29/91/77/362299177.db2.gz JEROSJGWPQDKGS-SECBINFHSA-N -1 3 219.284 2.189 20 0 BEADHM Cc1cccc(CC(=O)Nc2ncccc2[O-])c1 ZINC000588695265 344173808 /nfs/dbraw/zinc/17/38/08/344173808.db2.gz FNNVPXAHARWJLA-UHFFFAOYSA-N -1 3 242.278 2.277 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000628130978 344160869 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XBDFIIKPEWHZKM-UHFFFAOYSA-N -1 3 231.295 2.264 20 0 BEADHM CCOC(=O)CCc1ccc([O-])c(F)c1 ZINC000033637182 344886185 /nfs/dbraw/zinc/88/61/85/344886185.db2.gz NZRVUWDDVNJOHS-UHFFFAOYSA-N -1 3 212.220 2.027 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CC(C)C)o1 ZINC000358607069 178826345 /nfs/dbraw/zinc/82/63/45/178826345.db2.gz WXGNLFACJCRKNC-VIFPVBQESA-N -1 3 245.344 2.301 20 0 BEADHM O=C([O-])[C@@H](C1CC1)N1CC[C@@H]1c1cccc(F)c1 ZINC000635016314 345221035 /nfs/dbraw/zinc/22/10/35/345221035.db2.gz LXJGWUOJUXWYBY-CHWSQXEVSA-N -1 3 249.285 2.436 20 0 BEADHM O=C([O-])CCCCNCc1cccc(F)c1F ZINC000635315569 345303086 /nfs/dbraw/zinc/30/30/86/345303086.db2.gz OHOPTEOXBZIKJX-UHFFFAOYSA-N -1 3 243.253 2.309 20 0 BEADHM CCc1ccc(CNCCCCC(=O)[O-])o1 ZINC000635314321 345304489 /nfs/dbraw/zinc/30/44/89/345304489.db2.gz YQABUIPKNPENIF-UHFFFAOYSA-N -1 3 225.288 2.187 20 0 BEADHM CC(C)(F)CNCc1ccc(C(=O)[O-])cc1 ZINC000635314672 345305414 /nfs/dbraw/zinc/30/54/14/345305414.db2.gz JMHWCSOOGUWSDP-UHFFFAOYSA-N -1 3 225.263 2.223 20 0 BEADHM C(=C/c1ccccc1)\CSCCc1nnn[n-]1 ZINC000603336513 349926888 /nfs/dbraw/zinc/92/68/88/349926888.db2.gz DDCUTGVXOOSBDB-QPJJXVBHSA-N -1 3 246.339 2.189 20 0 BEADHM C(=C/c1ccccc1)\CSCCc1nn[n-]n1 ZINC000603336513 349926892 /nfs/dbraw/zinc/92/68/92/349926892.db2.gz DDCUTGVXOOSBDB-QPJJXVBHSA-N -1 3 246.339 2.189 20 0 BEADHM C(Cc1nnn[n-]1)SCC1CCCCC1 ZINC000603337055 349927244 /nfs/dbraw/zinc/92/72/44/349927244.db2.gz JKNXYTVSIMXFRX-UHFFFAOYSA-N -1 3 226.349 2.056 20 0 BEADHM C(Cc1nn[n-]n1)SCC1CCCCC1 ZINC000603337055 349927247 /nfs/dbraw/zinc/92/72/47/349927247.db2.gz JKNXYTVSIMXFRX-UHFFFAOYSA-N -1 3 226.349 2.056 20 0 BEADHM CCc1cccc(C(=O)NCC(F)(F)F)c1[O-] ZINC000081936688 345504319 /nfs/dbraw/zinc/50/43/19/345504319.db2.gz ZNCRYEBFPNUEHK-UHFFFAOYSA-N -1 3 247.216 2.247 20 0 BEADHM CCc1ccc([O-])c(C(=O)N(CC)CC)c1 ZINC000113936628 345675449 /nfs/dbraw/zinc/67/54/49/345675449.db2.gz FQJSUSHJZBHRKH-UHFFFAOYSA-N -1 3 221.300 2.437 20 0 BEADHM CC(C)=CC[N-]S(=O)(=O)c1ccccc1F ZINC000190247477 187360257 /nfs/dbraw/zinc/36/02/57/187360257.db2.gz SNAJQOKACMNDHS-UHFFFAOYSA-N -1 3 243.303 2.070 20 0 BEADHM CC(C)(C)c1cnc(C[N-]c2nnco2)s1 ZINC000284985058 187361016 /nfs/dbraw/zinc/36/10/16/187361016.db2.gz BZXKMWVQPADJFD-UHFFFAOYSA-N -1 3 238.316 2.436 20 0 BEADHM CCc1cc(N2CCC[C@@](C)(C(=O)[O-])C2)ccn1 ZINC000307775244 345960656 /nfs/dbraw/zinc/96/06/56/345960656.db2.gz GZHZBOUKINTIEA-CQSZACIVSA-N -1 3 248.326 2.335 20 0 BEADHM CCC1(NC(=O)c2ccc(OC)cc2[O-])CCC1 ZINC000135590317 187362439 /nfs/dbraw/zinc/36/24/39/187362439.db2.gz HPTKKHJWDVKFDG-UHFFFAOYSA-N -1 3 249.310 2.463 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CC2CCC2)n1 ZINC000192585960 346098497 /nfs/dbraw/zinc/09/84/97/346098497.db2.gz XLGIOZKCOVUXBN-SNVBAGLBSA-N -1 3 235.331 2.284 20 0 BEADHM C[C@@H](NC(=O)Cc1cncc([O-])c1)C1CCCC1 ZINC000577077738 365808019 /nfs/dbraw/zinc/80/80/19/365808019.db2.gz SXKNRCWHKLBPIE-SNVBAGLBSA-N -1 3 248.326 2.025 20 0 BEADHM Cc1cccc(C(=O)N(C)CC2CC2)c1[O-] ZINC000037926131 179004319 /nfs/dbraw/zinc/00/43/19/179004319.db2.gz CRFLLVABUGXHSO-UHFFFAOYSA-N -1 3 219.284 2.183 20 0 BEADHM Cc1cccc(C(=O)NC2(C)CCC2)c1[O-] ZINC000124661560 179014615 /nfs/dbraw/zinc/01/46/15/179014615.db2.gz HZPMKLNDQVNPMR-UHFFFAOYSA-N -1 3 219.284 2.373 20 0 BEADHM Cc1cccc(C(=O)Nc2nccs2)c1[O-] ZINC000019836983 179026220 /nfs/dbraw/zinc/02/62/20/179026220.db2.gz MHIAEFWQZXHQHJ-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM Cc1cccc(C(=O)NC[C@@H]2C[C@@H]2C)c1[O-] ZINC000135993882 179018469 /nfs/dbraw/zinc/01/84/69/179018469.db2.gz PQDOXZOKMMSLGB-UWVGGRQHSA-N -1 3 219.284 2.086 20 0 BEADHM CC1(C)C[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000156188314 346363272 /nfs/dbraw/zinc/36/32/72/346363272.db2.gz VKTMMSDBIQKOLR-MRVPVSSYSA-N -1 3 205.257 2.377 20 0 BEADHM CCCN(CC)Cc1cncc(C(=O)[O-])c1 ZINC000669379003 537973630 /nfs/dbraw/zinc/97/36/30/537973630.db2.gz RVXRJYHOOQKZLZ-UHFFFAOYSA-N -1 3 222.288 2.012 20 0 BEADHM O=C(c1ccccc1[O-])N1OC2CCC1CC2 ZINC000636408471 346486457 /nfs/dbraw/zinc/48/64/57/346486457.db2.gz YUWJHNZHZQJJDA-UHFFFAOYSA-N -1 3 233.267 2.091 20 0 BEADHM C[C@@H]1CSCCN1Cc1cc([O-])cc(F)c1 ZINC000186227550 346498090 /nfs/dbraw/zinc/49/80/90/346498090.db2.gz NLRBJVLRIATAFB-SECBINFHSA-N -1 3 241.331 2.469 20 0 BEADHM CN(C[C@H]1CC1(C)C)C(=O)c1ccc(O)cc1[O-] ZINC000621048748 346594136 /nfs/dbraw/zinc/59/41/36/346594136.db2.gz ACBJXJVCZBSMCH-SECBINFHSA-N -1 3 249.310 2.216 20 0 BEADHM O=C([O-])C1(NCc2ccc(Cl)s2)CC1 ZINC000203656828 346646522 /nfs/dbraw/zinc/64/65/22/346646522.db2.gz UBLBPXMYYNVWLM-UHFFFAOYSA-N -1 3 231.704 2.108 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CO[C@H](C)C1 ZINC000336432956 179160152 /nfs/dbraw/zinc/16/01/52/179160152.db2.gz ZNVXXJCXIKRMED-ZJUUUORDSA-N -1 3 235.283 2.064 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1CC12CC2 ZINC000335562171 179160827 /nfs/dbraw/zinc/16/08/27/179160827.db2.gz YXMRDGJEGDLOHN-SECBINFHSA-N -1 3 217.268 2.439 20 0 BEADHM Cc1cccc([O-])c1NC(=O)CC[C@@H]1CCOC1 ZINC000183015498 179160989 /nfs/dbraw/zinc/16/09/89/179160989.db2.gz LQVKRVSZMXZRJR-LLVKDONJSA-N -1 3 249.310 2.456 20 0 BEADHM O=C(Nc1ccccc1[O-])C(=O)c1ccccc1 ZINC000194154824 365898172 /nfs/dbraw/zinc/89/81/72/365898172.db2.gz CFHZESMBKQAQNO-UHFFFAOYSA-N -1 3 241.246 2.214 20 0 BEADHM CC(=O)c1csc(C(=O)[N-]c2cnoc2)c1 ZINC000592619011 347804581 /nfs/dbraw/zinc/80/45/81/347804581.db2.gz CKQMQUAKGXAGEN-UHFFFAOYSA-N -1 3 236.252 2.191 20 0 BEADHM Cc1cccnc1C[S@@](=O)c1ccc([O-])cc1 ZINC000335934229 179386625 /nfs/dbraw/zinc/38/66/25/179386625.db2.gz SDHWPGRBPGIVEF-QGZVFWFLSA-N -1 3 247.319 2.403 20 0 BEADHM Cc1ccoc1C[N-]c1nc(C2CC2)no1 ZINC000133989657 179532947 /nfs/dbraw/zinc/53/29/47/179532947.db2.gz AFZDEWBIMVANDI-UHFFFAOYSA-N -1 3 219.244 2.461 20 0 BEADHM C=CCCCNc1ccncc1C(=O)[O-] ZINC000308792939 348642034 /nfs/dbraw/zinc/64/20/34/348642034.db2.gz JAYYCSPNVKFTNE-UHFFFAOYSA-N -1 3 206.245 2.158 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](C)[C@H]2C)n1 ZINC000248718775 349147038 /nfs/dbraw/zinc/14/70/38/349147038.db2.gz FWKAMTLQWUXJHG-GDPRMGEGSA-N -1 3 235.331 2.282 20 0 BEADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000333785591 538029082 /nfs/dbraw/zinc/02/90/82/538029082.db2.gz WIBSWIPWSZILCG-GZMMTYOYSA-N -1 3 240.328 2.013 20 0 BEADHM C[C@H]1CCN(c2ccncc2C(=O)[O-])C[C@H]1C ZINC000253081185 349226228 /nfs/dbraw/zinc/22/62/28/349226228.db2.gz WBYCVNHNIWYUQI-VHSXEESVSA-N -1 3 234.299 2.262 20 0 BEADHM O=[S@@](CC1CCC1)c1ccc([O-])cc1 ZINC000601912580 349378051 /nfs/dbraw/zinc/37/80/51/349378051.db2.gz OEVYTZCJBMECNP-AWEZNQCLSA-N -1 3 210.298 2.300 20 0 BEADHM O=[S@](CC1CCC1)c1cccc([O-])c1 ZINC000601913680 349378638 /nfs/dbraw/zinc/37/86/38/349378638.db2.gz TWCSONVCQAFTNA-CQSZACIVSA-N -1 3 210.298 2.300 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CC=C(C)CC1 ZINC000626266588 350106089 /nfs/dbraw/zinc/10/60/89/350106089.db2.gz HVUCFXRLJXEVIJ-UHFFFAOYSA-N -1 3 231.295 2.493 20 0 BEADHM Cc1nc([N-]C(=O)c2occc2C(C)C)nn1C ZINC000293715028 180014584 /nfs/dbraw/zinc/01/45/84/180014584.db2.gz OWAKHHHPFOFOLX-UHFFFAOYSA-N -1 3 248.286 2.092 20 0 BEADHM CCO[N-]C(=O)CCSCc1ccccc1 ZINC000221962484 350227330 /nfs/dbraw/zinc/22/73/30/350227330.db2.gz PELVXDIRACFWRJ-UHFFFAOYSA-N -1 3 239.340 2.378 20 0 BEADHM Cc1ccc([O-])c(CN(C)[C@H]2CC2(C)C)n1 ZINC000426537355 191095537 /nfs/dbraw/zinc/09/55/37/191095537.db2.gz FVZLEANDRGFNIX-LBPRGKRZSA-N -1 3 220.316 2.326 20 0 BEADHM Cc1ccc(C(=O)N[C@]23C[C@H]2CCC3)c([O-])c1 ZINC000617210384 350374741 /nfs/dbraw/zinc/37/47/41/350374741.db2.gz AXCNFIIEGVPVDO-QMTHXVAHSA-N -1 3 231.295 2.373 20 0 BEADHM CCCC[C@@H](C)C(=O)N=c1[nH][n-]c(CC)c1C ZINC000337648580 350602462 /nfs/dbraw/zinc/60/24/62/350602462.db2.gz JMGDCZRYLRLHMW-SECBINFHSA-N -1 3 237.347 2.467 20 0 BEADHM CCCC[C@H](C)C(=O)N=c1[nH][n-]c(CC)c1C ZINC000337648581 350602532 /nfs/dbraw/zinc/60/25/32/350602532.db2.gz JMGDCZRYLRLHMW-VIFPVBQESA-N -1 3 237.347 2.467 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2cccc(O)c2)n1 ZINC000339116835 350734715 /nfs/dbraw/zinc/73/47/15/350734715.db2.gz PQNYBVRFNLQUTI-AATRIKPKSA-N -1 3 228.251 2.367 20 0 BEADHM CCN(Cc1oncc1C(=O)[O-])C1CCCC1 ZINC000304670516 350821156 /nfs/dbraw/zinc/82/11/56/350821156.db2.gz XIGUAMDNIGNDLN-UHFFFAOYSA-N -1 3 238.287 2.137 20 0 BEADHM Cc1conc1C(=O)[N-]c1nc(C(C)C)co1 ZINC000637628833 350970270 /nfs/dbraw/zinc/97/02/70/350970270.db2.gz CWMBCHRXTLRWMY-UHFFFAOYSA-N -1 3 235.243 2.347 20 0 BEADHM CCO[C@H](C(=O)Nc1c(C)cccc1[O-])C1CC1 ZINC000626338485 350987805 /nfs/dbraw/zinc/98/78/05/350987805.db2.gz BVOLSHCNBPJWGT-ZDUSSCGKSA-N -1 3 249.310 2.454 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)C12CC(C1)C2 ZINC000626394539 351039291 /nfs/dbraw/zinc/03/92/91/351039291.db2.gz OQDDXCZPBOISHJ-UHFFFAOYSA-N -1 3 221.231 2.270 20 0 BEADHM CC(C)N(Cc1ncccc1[O-])C1CC1 ZINC000577836868 366076808 /nfs/dbraw/zinc/07/68/08/366076808.db2.gz PECOREQEKBYKDX-UHFFFAOYSA-N -1 3 206.289 2.160 20 0 BEADHM CC1(C)SC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000283187775 187580244 /nfs/dbraw/zinc/58/02/44/187580244.db2.gz KHLILOCWGJTYAA-JTQLQIEISA-N -1 3 237.324 2.016 20 0 BEADHM C[C@H](CC(F)F)C(=O)Nc1ncccc1[O-] ZINC000411188969 191167678 /nfs/dbraw/zinc/16/76/78/191167678.db2.gz RUIQEUZOPAFTSR-ZCFIWIBFSA-N -1 3 230.214 2.017 20 0 BEADHM Cc1cccc(S(=O)(=O)[N-]CC(C)C)c1F ZINC000181173041 187653470 /nfs/dbraw/zinc/65/34/70/187653470.db2.gz FSEFBNHMWVYSHL-UHFFFAOYSA-N -1 3 245.319 2.068 20 0 BEADHM Cc1cccc(C(=O)N2CCCCCO2)c1[O-] ZINC000334186925 352776674 /nfs/dbraw/zinc/77/66/74/352776674.db2.gz GYWLDLWPLAVPBF-UHFFFAOYSA-N -1 3 235.283 2.258 20 0 BEADHM Cc1ccc([O-])c(NC(=O)Cc2cccs2)n1 ZINC000334185140 352774068 /nfs/dbraw/zinc/77/40/68/352774068.db2.gz GGDBEDJVWSHCOK-UHFFFAOYSA-N -1 3 248.307 2.338 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)c1cc(F)c[nH]1 ZINC000334205662 352801153 /nfs/dbraw/zinc/80/11/53/352801153.db2.gz UZHDRVDQHUPZNQ-UHFFFAOYSA-N -1 3 238.193 2.251 20 0 BEADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(F)F ZINC000334249162 352841772 /nfs/dbraw/zinc/84/17/72/352841772.db2.gz YPYVCZMTOSWDNK-SECBINFHSA-N -1 3 241.237 2.262 20 0 BEADHM Cc1ccc(C(=O)NC2CC(F)(F)C2)c([O-])c1 ZINC000334417686 353101556 /nfs/dbraw/zinc/10/15/56/353101556.db2.gz OTYYKLPYZPQMJJ-UHFFFAOYSA-N -1 3 241.237 2.228 20 0 BEADHM CC(C)[C@H](O)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000292161315 188037118 /nfs/dbraw/zinc/03/71/18/188037118.db2.gz NEJDIJDTYWMNSP-JTQLQIEISA-N -1 3 243.690 2.001 20 0 BEADHM COc1ccc([O-])c(C(=O)N(C(C)C)C2CC2)c1 ZINC000298432038 188041673 /nfs/dbraw/zinc/04/16/73/188041673.db2.gz WZWYPAROBDBALE-UHFFFAOYSA-N -1 3 249.310 2.414 20 0 BEADHM CC[C@H](OC)C(=O)Nc1ccc(C)cc1[O-] ZINC000049446855 353165476 /nfs/dbraw/zinc/16/54/76/353165476.db2.gz HYDSVEZTVZUBJF-NSHDSACASA-N -1 3 223.272 2.064 20 0 BEADHM CC1(C)CC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000613425524 363208687 /nfs/dbraw/zinc/20/86/87/363208687.db2.gz ARTLXQOSQCQJEU-MRVPVSSYSA-N -1 3 220.272 2.162 20 0 BEADHM COc1ccc(NC(=O)C(C)(C)C)c([O-])c1 ZINC000135430353 538115192 /nfs/dbraw/zinc/11/51/92/538115192.db2.gz FZDLRPNYHUQIIG-UHFFFAOYSA-N -1 3 223.272 2.385 20 0 BEADHM C[C@H](O)C[C@H](C)NCc1cccc([O-])c1Cl ZINC000328483935 188337144 /nfs/dbraw/zinc/33/71/44/188337144.db2.gz QMYWNRWWLBYKDS-IUCAKERBSA-N -1 3 243.734 2.295 20 0 BEADHM CC(=O)[N-]O[C@H]1CCCc2ccccc21 ZINC000180802511 188344600 /nfs/dbraw/zinc/34/46/00/188344600.db2.gz GKXZIMLAQAFSLS-LBPRGKRZSA-N -1 3 205.257 2.132 20 0 BEADHM CC(=O)[N-]O[C@H]1CCCc2ccc(F)cc21 ZINC000180807800 188345126 /nfs/dbraw/zinc/34/51/26/188345126.db2.gz XWQRKPFHEBZRCI-LBPRGKRZSA-N -1 3 223.247 2.271 20 0 BEADHM COc1ccc(C[N-]C(=O)C(F)F)cc1Cl ZINC000279854021 188384058 /nfs/dbraw/zinc/38/40/58/188384058.db2.gz MFICYSHUVBOURP-UHFFFAOYSA-N -1 3 249.644 2.230 20 0 BEADHM C[C@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000192899518 353566613 /nfs/dbraw/zinc/56/66/13/353566613.db2.gz FIGGHJCIFQTAEJ-VIFPVBQESA-N -1 3 235.283 2.112 20 0 BEADHM CCO[C@@H]1C[C@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000192808664 353570052 /nfs/dbraw/zinc/57/00/52/353570052.db2.gz HNJFWISRSLCBLS-BXKDBHETSA-N -1 3 235.283 2.064 20 0 BEADHM CC(=O)c1ccc(C(=O)N2[C@H](C)C[C@H]2C)cc1[O-] ZINC000334640100 354395455 /nfs/dbraw/zinc/39/54/55/354395455.db2.gz VXTVSDKOIRWQSY-RKDXNWHRSA-N -1 3 247.294 2.218 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000334803674 354559581 /nfs/dbraw/zinc/55/95/81/354559581.db2.gz JJYPXBQYWAUAHC-IINYFYTJSA-N -1 3 247.294 2.066 20 0 BEADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2C)cc1[O-] ZINC000334810550 354567657 /nfs/dbraw/zinc/56/76/57/354567657.db2.gz ZSMSPUIKIKHVJB-VIFPVBQESA-N -1 3 247.294 2.219 20 0 BEADHM O=C(Nc1ncccc1[O-])[C@H]1CCC[C@H](F)C1 ZINC000335094505 354633332 /nfs/dbraw/zinc/63/33/32/354633332.db2.gz QJMFTZHPTLQGJS-IUCAKERBSA-N -1 3 238.262 2.254 20 0 BEADHM CC[C@]1(C)C[C@H]1C(=O)Nc1nc(C)ccc1[O-] ZINC000345922843 354827487 /nfs/dbraw/zinc/82/74/87/354827487.db2.gz GORCBMPYGYJSBR-TVQRCGJNSA-N -1 3 234.299 2.470 20 0 BEADHM CC[C@@H](SC)C(=O)Nc1nc(C)ccc1[O-] ZINC000345923328 354828220 /nfs/dbraw/zinc/82/82/20/354828220.db2.gz GVYASAOKPFTVIY-SECBINFHSA-N -1 3 240.328 2.176 20 0 BEADHM Cc1ccc([C@@H](C)NCc2cnc(C)[n-]c2=O)o1 ZINC000346784993 355116005 /nfs/dbraw/zinc/11/60/05/355116005.db2.gz BKYWKIAHLOZCDY-SECBINFHSA-N -1 3 247.298 2.243 20 0 BEADHM CC(=O)c1cccc(NC(=O)c2ccc[nH]2)c1[O-] ZINC000335292179 355267629 /nfs/dbraw/zinc/26/76/29/355267629.db2.gz YPPCYPCVAYOQEP-UHFFFAOYSA-N -1 3 244.250 2.175 20 0 BEADHM C[C@H](NCc1cc([O-])cc(F)c1)c1ccon1 ZINC000349663968 355404097 /nfs/dbraw/zinc/40/40/97/355404097.db2.gz FWFNIXOUKGRLSG-QMMMGPOBSA-N -1 3 236.246 2.370 20 0 BEADHM COc1cc(C(=O)N2C[C@H](C)C[C@@H]2C)ccc1[O-] ZINC000335801049 355494738 /nfs/dbraw/zinc/49/47/38/355494738.db2.gz WAPRXBWRYQJNFE-ZJUUUORDSA-N -1 3 249.310 2.271 20 0 BEADHM C[C@@H]1CC=CC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000335795142 355451128 /nfs/dbraw/zinc/45/11/28/355451128.db2.gz JXXYHQKWGJQCFL-GHMZBOCLSA-N -1 3 246.310 2.006 20 0 BEADHM CC(=O)c1ccc(C(=O)[N-]c2onc(C)c2C)o1 ZINC000335832438 355558994 /nfs/dbraw/zinc/55/89/94/355558994.db2.gz VIFBSGTYPYNBCM-UHFFFAOYSA-N -1 3 248.238 2.339 20 0 BEADHM CCN(C(=O)c1csc(=O)[n-]1)C1CCCC1 ZINC000335844092 355588723 /nfs/dbraw/zinc/58/87/23/355588723.db2.gz QHKUCXMALHJRQE-UHFFFAOYSA-N -1 3 240.328 2.253 20 0 BEADHM COc1ccc([O-])c(C(=O)N2[C@H](C)C[C@@H]2C)c1 ZINC000336065394 134070280 /nfs/dbraw/zinc/07/02/80/134070280.db2.gz MZKLZBXEGSMELL-DTORHVGOSA-N -1 3 235.283 2.024 20 0 BEADHM Cc1ccc(CNC(=O)c2csc(=O)[n-]2)cc1 ZINC000336057239 134066677 /nfs/dbraw/zinc/06/66/77/134066677.db2.gz BGVAGCONMSLZPH-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM O=C(Nc1cccc([O-])c1F)c1ccoc1 ZINC000128506596 324846965 /nfs/dbraw/zinc/84/69/65/324846965.db2.gz DEAAJFFVBROPTR-UHFFFAOYSA-N -1 3 221.187 2.377 20 0 BEADHM Cc1cccc([O-])c1NC(=O)c1cscn1 ZINC000179552812 366269490 /nfs/dbraw/zinc/26/94/90/366269490.db2.gz XAQPNQNOYQBBTH-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM CC(=O)c1[n-]c(=N[C@H]2CC[C@H](F)C2)sc1C ZINC000336194305 134125220 /nfs/dbraw/zinc/12/52/20/134125220.db2.gz FLCJSONEXOEFDA-IUCAKERBSA-N -1 3 242.319 2.379 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@@H]2CC)c1C ZINC000449847380 202044449 /nfs/dbraw/zinc/04/44/49/202044449.db2.gz AUQWNBIXGYNKKC-WDEREUQCSA-N -1 3 249.358 2.467 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)C(C)(C)C2CCC2)c1C ZINC000449853848 202045972 /nfs/dbraw/zinc/04/59/72/202045972.db2.gz WOELPDHDHIGVPX-UHFFFAOYSA-N -1 3 249.358 2.467 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@H]1CC[C@@H]1C ZINC000627213372 363510245 /nfs/dbraw/zinc/51/02/45/363510245.db2.gz GSFRHXNRKONGOA-WPRPVWTQSA-N -1 3 219.284 2.229 20 0 BEADHM CC[C@@H](NC(=O)c1cccc(OC)c1[O-])C1CC1 ZINC000323862343 356660815 /nfs/dbraw/zinc/66/08/15/356660815.db2.gz PEBSXFSHCMDOTF-LLVKDONJSA-N -1 3 249.310 2.319 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccon1 ZINC000130136932 325016941 /nfs/dbraw/zinc/01/69/41/325016941.db2.gz LENLFQCGOKHOPX-UHFFFAOYSA-N -1 3 238.630 2.286 20 0 BEADHM Cc1ccc(-c2nc(-c3cocn3)no2)c([O-])c1 ZINC000350873790 366357247 /nfs/dbraw/zinc/35/72/47/366357247.db2.gz OKSRUCPEDFXMMV-UHFFFAOYSA-N -1 3 243.222 2.406 20 0 BEADHM COc1ccc(NC(=O)C[C@H]2C[C@@H]2C)c([O-])c1 ZINC000356008279 538806707 /nfs/dbraw/zinc/80/67/07/538806707.db2.gz LHODVEMPJJSXPJ-DTWKUNHWSA-N -1 3 235.283 2.385 20 0 BEADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CCC(F)(F)F ZINC000397111229 357506254 /nfs/dbraw/zinc/50/62/54/357506254.db2.gz RRDVSLXVCWIXDE-SFYZADRCSA-N -1 3 239.237 2.124 20 0 BEADHM C[C@H]([N-]S(=O)(=O)c1ccco1)C1CCCC1 ZINC000188689304 357571939 /nfs/dbraw/zinc/57/19/39/357571939.db2.gz HGMKNNFRQDKBOS-VIFPVBQESA-N -1 3 243.328 2.137 20 0 BEADHM CC1(C)CC[C@@H](CNC(=O)c2ccccc2[O-])O1 ZINC000189620985 357650436 /nfs/dbraw/zinc/65/04/36/357650436.db2.gz PRCAQXKCGBBVHE-JTQLQIEISA-N -1 3 249.310 2.080 20 0 BEADHM Cc1ncc(C(=O)Nc2ccccc2[O-])c(C)n1 ZINC000180147060 366384367 /nfs/dbraw/zinc/38/43/67/366384367.db2.gz SJXUSRDPIHIZMO-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM CCN(Cc1ccncc1)Cc1ncccc1[O-] ZINC000583779858 357940551 /nfs/dbraw/zinc/94/05/51/357940551.db2.gz NEQXEXBATLPOTR-UHFFFAOYSA-N -1 3 243.310 2.204 20 0 BEADHM O=C(NCCCC1CC1)c1c([O-])cccc1O ZINC000220243125 358028885 /nfs/dbraw/zinc/02/88/85/358028885.db2.gz CVJIMEAEFLHASM-UHFFFAOYSA-N -1 3 235.283 2.018 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)S[C@@H](C)CCO)n1 ZINC000610863233 358218897 /nfs/dbraw/zinc/21/88/97/358218897.db2.gz SJIKDYIKHHEQEC-DTWKUNHWSA-N -1 3 242.344 2.056 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)S[C@@H](C)CCO)n1 ZINC000610863234 358214162 /nfs/dbraw/zinc/21/41/62/358214162.db2.gz SJIKDYIKHHEQEC-IUCAKERBSA-N -1 3 242.344 2.056 20 0 BEADHM CCSc1cccc(NC(=O)c2cnn[n-]2)c1 ZINC000172140220 134262097 /nfs/dbraw/zinc/26/20/97/134262097.db2.gz RLWJORQDIXCEOV-UHFFFAOYSA-N -1 3 248.311 2.169 20 0 BEADHM CCSc1cccc(NC(=O)c2c[n-]nn2)c1 ZINC000172140220 134262098 /nfs/dbraw/zinc/26/20/98/134262098.db2.gz RLWJORQDIXCEOV-UHFFFAOYSA-N -1 3 248.311 2.169 20 0 BEADHM CCSc1cccc(NC(=O)c2cn[n-]n2)c1 ZINC000172140220 134262099 /nfs/dbraw/zinc/26/20/99/134262099.db2.gz RLWJORQDIXCEOV-UHFFFAOYSA-N -1 3 248.311 2.169 20 0 BEADHM CC(C)N(CC1CC1)C(=O)c1ccc(O)cc1[O-] ZINC000224651098 358235866 /nfs/dbraw/zinc/23/58/66/358235866.db2.gz OPCLHRBLNCZMPO-UHFFFAOYSA-N -1 3 249.310 2.358 20 0 BEADHM CCn1c(=O)[n-]nc1SCC1CC(F)(F)C1 ZINC000450701478 202239295 /nfs/dbraw/zinc/23/92/95/202239295.db2.gz GUFANSXEPTZGEN-UHFFFAOYSA-N -1 3 249.286 2.141 20 0 BEADHM Cc1ocnc1-c1noc(-c2ccccc2[O-])n1 ZINC000351021905 366393924 /nfs/dbraw/zinc/39/39/24/366393924.db2.gz QSYSJSPTBVHMCY-UHFFFAOYSA-N -1 3 243.222 2.406 20 0 BEADHM C[C@H](CC(=O)[O-])N(C)Cc1ccccc1F ZINC000042436818 358348800 /nfs/dbraw/zinc/34/88/00/358348800.db2.gz DMCOMAXKUWKNRK-SECBINFHSA-N -1 3 225.263 2.121 20 0 BEADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@H]1C1CC1 ZINC000176165056 134289308 /nfs/dbraw/zinc/28/93/08/134289308.db2.gz XZUZNVAZWNKJPL-WDEREUQCSA-N -1 3 249.285 2.194 20 0 BEADHM COc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@H]2C)c1 ZINC000134989453 358814515 /nfs/dbraw/zinc/81/45/15/358814515.db2.gz VYDKXEHHSMYSQT-VHSXEESVSA-N -1 3 249.310 2.271 20 0 BEADHM O=C([O-])CCCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000176928890 134295121 /nfs/dbraw/zinc/29/51/21/134295121.db2.gz ACVBEAAVLBVIQX-WDEREUQCSA-N -1 3 243.372 2.211 20 0 BEADHM CC[C@@]1(C)C[C@@H]1c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351375282 366519426 /nfs/dbraw/zinc/51/94/26/366519426.db2.gz RYDOFMJFTAYGFN-KRTXAFLBSA-N -1 3 246.270 2.136 20 0 BEADHM Cc1ccc2ncc(CN(C)CC(=O)[O-])cc2c1 ZINC000578329467 366520391 /nfs/dbraw/zinc/52/03/91/366520391.db2.gz FCSGBTZWLWCFFT-UHFFFAOYSA-N -1 3 244.294 2.060 20 0 BEADHM COc1ccc([O-])c(C(=O)N(C)CC2CCC2)c1 ZINC000061482302 358933861 /nfs/dbraw/zinc/93/38/61/358933861.db2.gz BUXJCECRJFUHSD-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM CC[C@H]1CCC[C@@H]1NC(=O)Cc1cncc([O-])c1 ZINC000578337955 366528171 /nfs/dbraw/zinc/52/81/71/366528171.db2.gz XMZJBNIWYTXVBW-AAEUAGOBSA-N -1 3 248.326 2.025 20 0 BEADHM C[C@@H](CC1CC1)NC(=O)c1cccc([O-])c1 ZINC000069670526 359033012 /nfs/dbraw/zinc/03/30/12/359033012.db2.gz GQNGLMWKKQKILO-VIFPVBQESA-N -1 3 219.284 2.311 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@@H](C)CC2CC2)c1 ZINC000070104956 359041963 /nfs/dbraw/zinc/04/19/63/359041963.db2.gz PLYZFBHMQJVKHW-VIFPVBQESA-N -1 3 249.310 2.319 20 0 BEADHM Cc1cccc(C(=O)N(C)c2cccnc2)c1[O-] ZINC000070231243 359044551 /nfs/dbraw/zinc/04/45/51/359044551.db2.gz ZSECYADFCYNEEI-UHFFFAOYSA-N -1 3 242.278 2.372 20 0 BEADHM N[C@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000070216767 359044745 /nfs/dbraw/zinc/04/47/45/359044745.db2.gz JBIGHGFCMOSVBW-ZDUSSCGKSA-N -1 3 242.278 2.031 20 0 BEADHM C[C@@H]1CCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000070835341 359064440 /nfs/dbraw/zinc/06/44/40/359064440.db2.gz QNYNNIGWYBKMIJ-SKDRFNHKSA-N -1 3 219.284 2.311 20 0 BEADHM CCc1coc([N-]C(=O)c2cnc(C3CC3)o2)n1 ZINC000640260881 359485887 /nfs/dbraw/zinc/48/58/87/359485887.db2.gz GCVACURJUZBIRR-UHFFFAOYSA-N -1 3 247.254 2.355 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000626814224 359725665 /nfs/dbraw/zinc/72/56/65/359725665.db2.gz WHNWPBVNHBPLBI-WDEREUQCSA-N -1 3 231.295 2.229 20 0 BEADHM CSc1ccc([O-])c(C(=O)NCCCF)c1 ZINC000612576218 359889627 /nfs/dbraw/zinc/88/96/27/359889627.db2.gz KOYZQRCWNAMVGW-UHFFFAOYSA-N -1 3 243.303 2.204 20 0 BEADHM Cc1cncc(C(=O)Nc2ccc([O-])cc2F)c1 ZINC000088450264 359954688 /nfs/dbraw/zinc/95/46/88/359954688.db2.gz XSXLGGLGUUCLIK-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)N1C2CCC1CC2 ZINC000578960959 366679763 /nfs/dbraw/zinc/67/97/63/366679763.db2.gz ZEYYJEIEULCZSY-UHFFFAOYSA-N -1 3 249.285 2.227 20 0 BEADHM O=C(CCCF)Nc1cc(F)ccc1[O-] ZINC000613025399 360293026 /nfs/dbraw/zinc/29/30/26/360293026.db2.gz BHHAGKHBDWBRSG-UHFFFAOYSA-N -1 3 215.199 2.220 20 0 BEADHM O=C(CCCF)Nc1cccc([O-])c1F ZINC000613109623 360365242 /nfs/dbraw/zinc/36/52/42/360365242.db2.gz CQUYUIBNZCXKOG-UHFFFAOYSA-N -1 3 215.199 2.220 20 0 BEADHM COc1ncccc1C(=O)Nc1ccccc1[O-] ZINC000096787469 360355656 /nfs/dbraw/zinc/35/56/56/360355656.db2.gz RMCRGZIZZQTNHL-UHFFFAOYSA-N -1 3 244.250 2.048 20 0 BEADHM CCOC(=O)Cc1c([O-])cccc1Cl ZINC000238257058 360762452 /nfs/dbraw/zinc/76/24/52/360762452.db2.gz KSURCZIPUYDDLC-UHFFFAOYSA-N -1 3 214.648 2.151 20 0 BEADHM O=C(Nc1cccc2n[n-]nc21)[C@]12C[C@H]1CCC2 ZINC000640379543 361188556 /nfs/dbraw/zinc/18/85/56/361188556.db2.gz OZIZYAOUALXILS-AMIZOPFISA-N -1 3 242.282 2.087 20 0 BEADHM Cc1cccc([O-])c1NC(=O)CCCF ZINC000613208492 361229011 /nfs/dbraw/zinc/22/90/11/361229011.db2.gz VISJZATWUJHNPM-UHFFFAOYSA-N -1 3 211.236 2.389 20 0 BEADHM Cc1cc(C(=O)[N-]c2conc2C)oc1C ZINC000640482935 361257317 /nfs/dbraw/zinc/25/73/17/361257317.db2.gz FORSJNSNRJANKH-UHFFFAOYSA-N -1 3 220.228 2.445 20 0 BEADHM Cc1cccc(Cl)c1CN(C)CC(=O)[O-] ZINC000579248459 366746534 /nfs/dbraw/zinc/74/65/34/366746534.db2.gz NWUQZJDQMATJOS-UHFFFAOYSA-N -1 3 227.691 2.165 20 0 BEADHM CCc1cc(=O)[n-]c(CN(C)[C@H]2CC[C@@H](C)C2)n1 ZINC000429578529 201119745 /nfs/dbraw/zinc/11/97/45/201119745.db2.gz TVDUTFRVPIOONZ-PWSUYJOCSA-N -1 3 249.358 2.365 20 0 BEADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2C)c([O-])c1C ZINC000436565547 201331115 /nfs/dbraw/zinc/33/11/15/201331115.db2.gz NIJCHOCDKYIKOH-LDYMZIIASA-N -1 3 219.284 2.147 20 0 BEADHM COc1ccc(C(=O)N(C(C)C)C2CC2)c([O-])c1 ZINC000436564824 201332222 /nfs/dbraw/zinc/33/22/22/201332222.db2.gz HSVWCINAYUPMQO-UHFFFAOYSA-N -1 3 249.310 2.414 20 0 BEADHM CCc1ccc(C(=O)NCCCCF)c([O-])c1 ZINC000436640725 201332938 /nfs/dbraw/zinc/33/29/38/201332938.db2.gz JHESUAMHTQUAIE-UHFFFAOYSA-N -1 3 239.290 2.434 20 0 BEADHM CC[C@@H](C)N(C)C(=O)c1ccc([O-])c(OC)c1 ZINC000436640876 201334968 /nfs/dbraw/zinc/33/49/68/201334968.db2.gz ZNSBGVUMEQFCKT-SECBINFHSA-N -1 3 237.299 2.271 20 0 BEADHM Cc1cccc(C(=O)N[C@@H]2C[C@H]2C2CC2)c1[O-] ZINC000436900375 201341000 /nfs/dbraw/zinc/34/10/00/201341000.db2.gz HJNULKLQHCFWBA-NWDGAFQWSA-N -1 3 231.295 2.229 20 0 BEADHM O=C(NCC1CC1)c1ccc2c(c1[O-])CCCC2 ZINC000436946766 201342473 /nfs/dbraw/zinc/34/24/73/201342473.db2.gz KFLXWIFFXQELPZ-UHFFFAOYSA-N -1 3 245.322 2.411 20 0 BEADHM COc1ccc(C(=O)N2C3CCC2CC3)c([O-])c1 ZINC000398869049 363936131 /nfs/dbraw/zinc/93/61/31/363936131.db2.gz OSXATMOUAMXEBO-UHFFFAOYSA-N -1 3 247.294 2.168 20 0 BEADHM C[C@H]1CC[C@H](c2nc3ccc([O-])cc3c(=O)[nH]2)O1 ZINC000630386067 364099760 /nfs/dbraw/zinc/09/97/60/364099760.db2.gz SVAFIPIYDOGTTP-WRWORJQWSA-N -1 3 246.266 2.281 20 0 BEADHM O=C(c1c([O-])cccc1O)N1C[C@@H]2CCCC[C@@H]21 ZINC000622131546 370727206 /nfs/dbraw/zinc/72/72/06/370727206.db2.gz WMQSMJDCCWEODG-UWVGGRQHSA-N -1 3 247.294 2.112 20 0 BEADHM CN(C[C@@H]1CC1(C)C)C(=O)c1c([O-])cccc1O ZINC000622186933 370752830 /nfs/dbraw/zinc/75/28/30/370752830.db2.gz XOEBKRMYBUEEDG-VIFPVBQESA-N -1 3 249.310 2.216 20 0 BEADHM C[C@@H]1C[C@H](C(=O)Nc2ccccc2[O-])[C@@H](C)O1 ZINC000630796210 364561433 /nfs/dbraw/zinc/56/14/33/364561433.db2.gz LJNVEVAJJAIXCS-BBBLOLIVSA-N -1 3 235.283 2.144 20 0 BEADHM O=C(CC1CC1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000615137485 364517053 /nfs/dbraw/zinc/51/70/53/364517053.db2.gz LBBVVNZRJRJGBO-UHFFFAOYSA-N -1 3 231.255 2.007 20 0 BEADHM Cc1nc(SCc2ncccc2[O-])[nH]c1C ZINC000573505961 364851044 /nfs/dbraw/zinc/85/10/44/364851044.db2.gz IKLUGMOSCUCHFF-UHFFFAOYSA-N -1 3 235.312 2.419 20 0 BEADHM O=C(Cc1ccco1)Nc1ccc([O-])cc1F ZINC000334464754 541414627 /nfs/dbraw/zinc/41/46/27/541414627.db2.gz BUIKBQSCHLWWHI-UHFFFAOYSA-N -1 3 235.214 2.306 20 0 BEADHM COc1ccc([O-])c(C(=O)N2[C@H](C)CC[C@H]2C)c1 ZINC000162174411 541446966 /nfs/dbraw/zinc/44/69/66/541446966.db2.gz HFGFQCPEDKUKMI-NXEZZACHSA-N -1 3 249.310 2.414 20 0 BEADHM CC(=O)c1cccc(CN(C)C[C@H](C)C(=O)[O-])c1 ZINC000574286168 365028876 /nfs/dbraw/zinc/02/88/76/365028876.db2.gz WWTUFTHLUZLRIE-JTQLQIEISA-N -1 3 249.310 2.042 20 0 BEADHM COc1ccc(C(=O)NCC2CC(C)C2)c([O-])c1 ZINC000622242741 370794798 /nfs/dbraw/zinc/79/47/98/370794798.db2.gz GXQKQJJQFKJZHR-UHFFFAOYSA-N -1 3 249.310 2.177 20 0 BEADHM CCc1ccc(C(=O)NCC(C)(F)F)c([O-])c1 ZINC000572552904 325763464 /nfs/dbraw/zinc/76/34/64/325763464.db2.gz HOOLWCZKFZTQIY-UHFFFAOYSA-N -1 3 243.253 2.340 20 0 BEADHM Cc1ccc(C(=O)Nc2ncccc2[O-])c(F)c1 ZINC000175000139 365523748 /nfs/dbraw/zinc/52/37/48/365523748.db2.gz NAUPVFFDYUXXBS-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM C[C@H]1CC[C@H](C)N1C(=O)c1cccc([O-])c1 ZINC000182598939 366920358 /nfs/dbraw/zinc/92/03/58/366920358.db2.gz WFQCXPYJVNQTCY-UWVGGRQHSA-N -1 3 219.284 2.405 20 0 BEADHM O=C(Nc1ccccc1)c1cccc2nn[n-]c21 ZINC000182669472 366929503 /nfs/dbraw/zinc/92/95/03/366929503.db2.gz BDMCLXDLHHMMDQ-UHFFFAOYSA-N -1 3 238.250 2.210 20 0 BEADHM O=C(Nc1ccccc1)c1cccc2[n-]nnc21 ZINC000182669472 366929509 /nfs/dbraw/zinc/92/95/09/366929509.db2.gz BDMCLXDLHHMMDQ-UHFFFAOYSA-N -1 3 238.250 2.210 20 0 BEADHM O=C(Nc1ccccc1)c1cccc2n[n-]nc21 ZINC000182669472 366929516 /nfs/dbraw/zinc/92/95/16/366929516.db2.gz BDMCLXDLHHMMDQ-UHFFFAOYSA-N -1 3 238.250 2.210 20 0 BEADHM Cc1ccc(F)cc1C(=O)Nc1ncccc1[O-] ZINC000194568500 541513097 /nfs/dbraw/zinc/51/30/97/541513097.db2.gz IVQHQOHBUYKBGM-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)NC2(C3CC3)CC2)n1 ZINC000581111784 367058943 /nfs/dbraw/zinc/05/89/43/367058943.db2.gz JPSRPCLMOPRKLF-SECBINFHSA-N -1 3 233.315 2.084 20 0 BEADHM O=[S@](Cc1nccs1)c1cccc([O-])c1 ZINC000184069681 367063185 /nfs/dbraw/zinc/06/31/85/367063185.db2.gz FKLYCZSBPBVPAW-OAHLLOKOSA-N -1 3 239.321 2.157 20 0 BEADHM Cc1cncnc1NCc1ccc([O-])c(F)c1 ZINC001642310558 1172346457 /nfs/dbraw/zinc/34/64/57/1172346457.db2.gz YRPPGFQQEMLFDF-UHFFFAOYSA-N -1 3 233.246 2.242 20 0 BEADHM CC/C=C\CNC(=O)c1cccc(OC)c1[O-] ZINC000384987584 367770111 /nfs/dbraw/zinc/77/01/11/367770111.db2.gz KFGWSHHYHMGHRB-PLNGDYQASA-N -1 3 235.283 2.097 20 0 BEADHM Cc1cccc(CNCCCC(=O)[O-])c1F ZINC000384669096 367713908 /nfs/dbraw/zinc/71/39/08/367713908.db2.gz QJIPUFSAYBNBJE-UHFFFAOYSA-N -1 3 225.263 2.089 20 0 BEADHM CC(C)C[C@@H]1C[C@H]1NC(=O)c1c([O-])cccc1O ZINC000385698500 367856155 /nfs/dbraw/zinc/85/61/55/367856155.db2.gz PJMJKGHLJUEKSV-NXEZZACHSA-N -1 3 249.310 2.262 20 0 BEADHM O=C(N[C@@H]1CC12CCCC2)c1ccccc1[O-] ZINC000387093874 368050218 /nfs/dbraw/zinc/05/02/18/368050218.db2.gz DMRAKILFNUARDV-GFCCVEGCSA-N -1 3 231.295 2.455 20 0 BEADHM Cc1cc(C)[n-]c(=NNC(=O)C2(C)CCCC2)n1 ZINC000067246690 368682429 /nfs/dbraw/zinc/68/24/29/368682429.db2.gz IDBHOWHOAGDWBQ-UHFFFAOYSA-N -1 3 248.330 2.117 20 0 BEADHM C[C@@H](CC(F)(F)F)C(=O)Nc1ncccc1[O-] ZINC000457718961 203094333 /nfs/dbraw/zinc/09/43/33/203094333.db2.gz VKHSVULSMMYERG-LURJTMIESA-N -1 3 248.204 2.314 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@H](C)C(C)C ZINC000623669618 369220924 /nfs/dbraw/zinc/22/09/24/369220924.db2.gz QTFQURIGFYAAPQ-SNVBAGLBSA-N -1 3 221.300 2.475 20 0 BEADHM COc1cc(C(=O)N[C@@]2(C)CC2(C)C)ccc1[O-] ZINC000620077308 369713269 /nfs/dbraw/zinc/71/32/69/369713269.db2.gz DZHKBSNGVLAHLS-AWEZNQCLSA-N -1 3 249.310 2.319 20 0 BEADHM COc1ccc(C(=O)N[C@@]2(C)CC2(C)C)c([O-])c1 ZINC000620082336 369720854 /nfs/dbraw/zinc/72/08/54/369720854.db2.gz VVCUPICTTIYDPE-AWEZNQCLSA-N -1 3 249.310 2.319 20 0 BEADHM CC(C)CC1(NC(=O)c2csc(=O)[n-]2)CC1 ZINC000620284394 369800356 /nfs/dbraw/zinc/80/03/56/369800356.db2.gz AQVUEXULSQLBIP-UHFFFAOYSA-N -1 3 240.328 2.157 20 0 BEADHM CC(F)(F)C[N-]c1nnc(C2CC2)o1 ZINC000307404955 370000644 /nfs/dbraw/zinc/00/06/44/370000644.db2.gz CRRKEYHQVQMCAZ-UHFFFAOYSA-N -1 3 203.192 2.014 20 0 BEADHM Cc1cccc(C(=O)N2CC3CC2(C)C3)c1[O-] ZINC000621210947 370152257 /nfs/dbraw/zinc/15/22/57/370152257.db2.gz NADYRWGELPVDAJ-UHFFFAOYSA-N -1 3 231.295 2.325 20 0 BEADHM CCCN(Cc1nc(CC)cc(=O)[n-]1)C(C)C ZINC000568764402 326376110 /nfs/dbraw/zinc/37/61/10/326376110.db2.gz JSUKKKMDBCIARR-UHFFFAOYSA-N -1 3 237.347 2.365 20 0 BEADHM CCc1cccc(C(=O)NCC[C@H](C)F)c1[O-] ZINC000569257950 326398107 /nfs/dbraw/zinc/39/81/07/326398107.db2.gz GKCFFKVMNUVZBF-VIFPVBQESA-N -1 3 239.290 2.433 20 0 BEADHM Cc1cc(CNC(=O)c2cccc([O-])c2)ccn1 ZINC000391251746 371280606 /nfs/dbraw/zinc/28/06/06/371280606.db2.gz CXSUGUIUWBOTAS-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM C[C@@H]1CCC[C@@H](SCCc2nnn[n-]2)C1 ZINC000095254342 371264249 /nfs/dbraw/zinc/26/42/49/371264249.db2.gz FINAWIJNULMEDY-RKDXNWHRSA-N -1 3 226.349 2.054 20 0 BEADHM C[C@@H]1CCC[C@@H](SCCc2nn[n-]n2)C1 ZINC000095254342 371264254 /nfs/dbraw/zinc/26/42/54/371264254.db2.gz FINAWIJNULMEDY-RKDXNWHRSA-N -1 3 226.349 2.054 20 0 BEADHM CC[C@@H]1CCN1C(=O)c1c(C)cccc1[O-] ZINC000627509094 371669535 /nfs/dbraw/zinc/66/95/35/371669535.db2.gz KVFKJVAPZMBFLW-SNVBAGLBSA-N -1 3 219.284 2.325 20 0 BEADHM CC(C)COc1ccc2c([O-])coc2c1 ZINC000057524417 371857555 /nfs/dbraw/zinc/85/75/55/371857555.db2.gz IIOJZVMRJRVRLT-UHFFFAOYSA-N -1 3 206.241 2.297 20 0 BEADHM Cc1ccc(C(=O)NC[C@@H](C)C2CC2)c([O-])c1 ZINC000132751509 371914185 /nfs/dbraw/zinc/91/41/85/371914185.db2.gz PFBSSKDRWMPLSK-SNVBAGLBSA-N -1 3 233.311 2.477 20 0 BEADHM O=C(c1ccc(O)cc1[O-])N1CCC2(CCC2)C1 ZINC000163122482 371934061 /nfs/dbraw/zinc/93/40/61/371934061.db2.gz FXZXFHCYJNDLMR-UHFFFAOYSA-N -1 3 247.294 2.114 20 0 BEADHM [O-]c1ccc(CNCc2nccs2)cc1F ZINC000217825455 372017310 /nfs/dbraw/zinc/01/73/10/372017310.db2.gz OUNHOKQDVKYWKJ-UHFFFAOYSA-N -1 3 238.287 2.278 20 0 BEADHM CO[C@@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000163848695 372067272 /nfs/dbraw/zinc/06/72/72/372067272.db2.gz SFGWHBXCZDOPGL-LURJTMIESA-N -1 3 229.663 2.019 20 0 BEADHM CO[C@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000163848805 372067504 /nfs/dbraw/zinc/06/75/04/372067504.db2.gz SFGWHBXCZDOPGL-ZCFIWIBFSA-N -1 3 229.663 2.019 20 0 BEADHM O=C(CCCCO)Nc1cc(Cl)ccc1[O-] ZINC000632027391 372729050 /nfs/dbraw/zinc/72/90/50/372729050.db2.gz BVJHTQDJOFZVOJ-UHFFFAOYSA-N -1 3 243.690 2.147 20 0 BEADHM O=C(COc1ccsc1)Nc1ccccc1[O-] ZINC000337452841 182005863 /nfs/dbraw/zinc/00/58/63/182005863.db2.gz ODQYHCLRCOFRRZ-UHFFFAOYSA-N -1 3 249.291 2.471 20 0 BEADHM O=C(C[C@@H]1CCCCO1)[N-]OCc1ccccc1 ZINC000087005664 182015924 /nfs/dbraw/zinc/01/59/24/182015924.db2.gz JRQRWAQUWFCMEP-ZDUSSCGKSA-N -1 3 249.310 2.194 20 0 BEADHM O=C(C[C@@H]1C=CCC1)Nc1ccncc1[O-] ZINC000109890892 182014860 /nfs/dbraw/zinc/01/48/60/182014860.db2.gz DFVMDMDVOMIMCP-SECBINFHSA-N -1 3 218.256 2.082 20 0 BEADHM O=C(C[C@@H]1CCCCO1)Nc1ccccc1[O-] ZINC000088281126 182017496 /nfs/dbraw/zinc/01/74/96/182017496.db2.gz LNUZSJFCLQWWSZ-JTQLQIEISA-N -1 3 235.283 2.290 20 0 BEADHM O=C(Cc1ccccc1F)Nc1ccncc1[O-] ZINC000109890274 182045459 /nfs/dbraw/zinc/04/54/59/182045459.db2.gz SPMJTUFOUDKSMM-UHFFFAOYSA-N -1 3 246.241 2.108 20 0 BEADHM O=C(N=c1cco[n-]1)NCC1(C2CCC2)CCC1 ZINC000333573940 182087265 /nfs/dbraw/zinc/08/72/65/182087265.db2.gz YPVORHPIEGBIQH-UHFFFAOYSA-N -1 3 249.314 2.188 20 0 BEADHM O=C(NC12CCC(CC1)C2)c1cccc([O-])c1 ZINC000371760421 182092262 /nfs/dbraw/zinc/09/22/62/182092262.db2.gz NWRFLVMRKIFGBY-UHFFFAOYSA-N -1 3 231.295 2.455 20 0 BEADHM Cc1cc(C(=O)NCC(C)(C)F)ccc1[O-] ZINC000633720954 373710076 /nfs/dbraw/zinc/71/00/76/373710076.db2.gz XJOSXTPNJOTTKX-UHFFFAOYSA-N -1 3 225.263 2.179 20 0 BEADHM [O-]C(=NOCC1CC1)Nc1cc(Cl)ccn1 ZINC000296838409 182281595 /nfs/dbraw/zinc/28/15/95/182281595.db2.gz AEJDXUDUQAHIFD-UHFFFAOYSA-N -1 3 241.678 2.198 20 0 BEADHM O=C([N-]OCC1CC1)Nc1cc(Cl)ccn1 ZINC000296838409 182281597 /nfs/dbraw/zinc/28/15/97/182281597.db2.gz AEJDXUDUQAHIFD-UHFFFAOYSA-N -1 3 241.678 2.198 20 0 BEADHM O=C([N-]OCC1CC1)c1c(F)ccc(F)c1F ZINC000293795579 182281946 /nfs/dbraw/zinc/28/19/46/182281946.db2.gz PBEAJEUOODCTNI-UHFFFAOYSA-N -1 3 245.200 2.175 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCS1 ZINC000267369142 182349523 /nfs/dbraw/zinc/34/95/23/182349523.db2.gz RJXUQBMQVISMQH-JTQLQIEISA-N -1 3 241.287 2.365 20 0 BEADHM O=C(Nc1ccccc1[O-])C1CCSCC1 ZINC000264804244 182380075 /nfs/dbraw/zinc/38/00/75/182380075.db2.gz HOKPVSIJXYNLFC-UHFFFAOYSA-N -1 3 237.324 2.474 20 0 BEADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@@H]1C(F)F ZINC000335905026 182380356 /nfs/dbraw/zinc/38/03/56/182380356.db2.gz VPUZPGJUKAXRTQ-BQBZGAKWSA-N -1 3 227.210 2.232 20 0 BEADHM O=C(Nc1ccccc1[O-])c1ccc(Cl)nn1 ZINC000076894815 182380411 /nfs/dbraw/zinc/38/04/11/182380411.db2.gz BJTDZKYMAHSWNG-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM O=C(Nc1ccccc1[O-])C1(O)CCCCC1 ZINC000129937982 182380524 /nfs/dbraw/zinc/38/05/24/182380524.db2.gz TYWFUQNCFYIXNF-UHFFFAOYSA-N -1 3 235.283 2.026 20 0 BEADHM O=C(Nc1ccncc1[O-])[C@@H]1CC=CCC1 ZINC000109889244 182388231 /nfs/dbraw/zinc/38/82/31/182388231.db2.gz NODIZMXLOUUCQY-SECBINFHSA-N -1 3 218.256 2.082 20 0 BEADHM O=C(c1ccc(O)cc1[O-])N1CC2(C1)CCCC2 ZINC000336468276 182663590 /nfs/dbraw/zinc/66/35/90/182663590.db2.gz MAAQJKJSEBJSPC-UHFFFAOYSA-N -1 3 247.294 2.114 20 0 BEADHM [O-]c1cccc(CNCCCCCO)c1Cl ZINC000293308853 183047020 /nfs/dbraw/zinc/04/70/20/183047020.db2.gz QAJDOTAFQXROLJ-UHFFFAOYSA-N -1 3 243.734 2.298 20 0 BEADHM CCCN(CC(=O)[O-])Cc1ccc(Cl)nc1 ZINC000184928478 169099030 /nfs/dbraw/zinc/09/90/30/169099030.db2.gz UURNNVPIHHVPTL-UHFFFAOYSA-N -1 3 242.706 2.032 20 0 BEADHM CCCN(CC(=O)[O-])Cc1cccc(Cl)n1 ZINC000184922679 169099102 /nfs/dbraw/zinc/09/91/02/169099102.db2.gz ORXZQXHMWCCEAO-UHFFFAOYSA-N -1 3 242.706 2.032 20 0 BEADHM [O-]c1ccc(F)c(CN2CCSCC2)c1F ZINC000294832488 183273507 /nfs/dbraw/zinc/27/35/07/183273507.db2.gz HGVIFMYXDDFVIV-UHFFFAOYSA-N -1 3 245.294 2.219 20 0 BEADHM CCCN(CCC)C(=O)c1c([O-])cccc1O ZINC000179382837 169144495 /nfs/dbraw/zinc/14/44/95/169144495.db2.gz QXQSGYGSWFZLPS-UHFFFAOYSA-N -1 3 237.299 2.360 20 0 BEADHM [O-]c1cccc(CNC[C@@H]2CCOC2)c1Cl ZINC000294037940 183291102 /nfs/dbraw/zinc/29/11/02/183291102.db2.gz ILOXMLWMQQKDON-VIFPVBQESA-N -1 3 241.718 2.172 20 0 BEADHM CCCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000048370807 169251351 /nfs/dbraw/zinc/25/13/51/169251351.db2.gz INZHIMBDLLZUBM-UHFFFAOYSA-N -1 3 207.273 2.149 20 0 BEADHM CCC[C@@H](N)C(=O)Nc1cccc(Cl)c1[O-] ZINC000262699212 169392198 /nfs/dbraw/zinc/39/21/98/169392198.db2.gz GGFZQXGEBYCIOQ-MRVPVSSYSA-N -1 3 242.706 2.112 20 0 BEADHM [O-]c1ccc(-c2nc([C@@H]3CCCN3)no2)c(F)c1 ZINC000647145913 383848306 /nfs/dbraw/zinc/84/83/06/383848306.db2.gz IMBSATWPCVXIJJ-JTQLQIEISA-N -1 3 249.245 2.006 20 0 BEADHM CSC[C@@H](C)C(=O)Nc1ccccc1[O-] ZINC000066927297 383904406 /nfs/dbraw/zinc/90/44/06/383904406.db2.gz SEXUXYPHTYGISP-MRVPVSSYSA-N -1 3 225.313 2.330 20 0 BEADHM CN(Cc1cccs1)Cc1ncccc1[O-] ZINC000558397848 383982329 /nfs/dbraw/zinc/98/23/29/383982329.db2.gz LDZDDLJBLZQWLF-UHFFFAOYSA-N -1 3 234.324 2.481 20 0 BEADHM O=C([O-])CCCCN1CCc2ccsc2C1 ZINC000569370586 383954885 /nfs/dbraw/zinc/95/48/85/383954885.db2.gz IGWXJMXDCDYTJR-UHFFFAOYSA-N -1 3 239.340 2.361 20 0 BEADHM O=C([O-])CCN(Cc1ccc(F)cc1)C1CC1 ZINC000037389315 383975338 /nfs/dbraw/zinc/97/53/38/383975338.db2.gz YNSRRDFBZZSOLP-UHFFFAOYSA-N -1 3 237.274 2.265 20 0 BEADHM CN(CC(F)F)C(=O)c1cc([O-])ccc1Cl ZINC000234273995 384116586 /nfs/dbraw/zinc/11/65/86/384116586.db2.gz CKGAGLMVVQWKMF-UHFFFAOYSA-N -1 3 249.644 2.383 20 0 BEADHM CC1(CNC(=O)c2c([O-])cccc2O)CCCC1 ZINC000092121507 384141488 /nfs/dbraw/zinc/14/14/88/384141488.db2.gz JGSXPVABQSCSFE-UHFFFAOYSA-N -1 3 249.310 2.408 20 0 BEADHM CO[C@@H](C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116979396 384160630 /nfs/dbraw/zinc/16/06/30/384160630.db2.gz MHXWUALZVXTJFA-ZETCQYMHSA-N -1 3 243.690 2.327 20 0 BEADHM CCc1ccc([O-])c(C(=O)NCC(C)(F)F)c1 ZINC000647260646 384194223 /nfs/dbraw/zinc/19/42/23/384194223.db2.gz KVBPQVBBLRUOQB-UHFFFAOYSA-N -1 3 243.253 2.340 20 0 BEADHM Cc1ccc(C(=O)NC[C@@H]2C[C@@H]2C)c([O-])c1 ZINC000043115556 384264151 /nfs/dbraw/zinc/26/41/51/384264151.db2.gz LBWBRUAUYLSTLE-UWVGGRQHSA-N -1 3 219.284 2.086 20 0 BEADHM CCC1([N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000295428406 384305125 /nfs/dbraw/zinc/30/51/25/384305125.db2.gz XNGONXSQWBKYMP-UHFFFAOYSA-N -1 3 243.303 2.047 20 0 BEADHM Cc1ccc(NC(=O)[C@]2(C)CCCO2)c([O-])c1 ZINC000094789715 384313979 /nfs/dbraw/zinc/31/39/79/384313979.db2.gz HGJHYUORWLAAJH-ZDUSSCGKSA-N -1 3 235.283 2.208 20 0 BEADHM C[C@@]1(c2nc(-c3ccc([O-])cc3)no2)CCCO1 ZINC000094789804 384314783 /nfs/dbraw/zinc/31/47/83/384314783.db2.gz FLKUIDXTDHKVIU-ZDUSSCGKSA-N -1 3 246.266 2.468 20 0 BEADHM CC(C)CO[N-]C(=O)Cc1cccc(F)c1F ZINC000135327255 384433294 /nfs/dbraw/zinc/43/32/94/384433294.db2.gz AXVLLFMMQVAZIZ-UHFFFAOYSA-N -1 3 243.253 2.211 20 0 BEADHM Cc1ccc(C(=O)NOC2CCCC2)c([O-])c1 ZINC000135688150 384462504 /nfs/dbraw/zinc/46/25/04/384462504.db2.gz VUCJXXTWFHESRB-UHFFFAOYSA-N -1 3 235.283 2.305 20 0 BEADHM CC(C)C[C@@H]1C[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000556730283 384464769 /nfs/dbraw/zinc/46/47/69/384464769.db2.gz OIGFZZANYZWMTJ-HTQZYQBOSA-N -1 3 240.328 2.013 20 0 BEADHM CC[C@@H](C)CN(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000255386312 384507630 /nfs/dbraw/zinc/50/76/30/384507630.db2.gz NJMYKEBPHWKCRB-ISALQUGTSA-N -1 3 248.326 2.305 20 0 BEADHM C[C@@H]1CCC[C@H](NC(=O)Cc2cncc([O-])c2)C1 ZINC000561136294 384522625 /nfs/dbraw/zinc/52/26/25/384522625.db2.gz VCZRTOGVSBLCIP-PWSUYJOCSA-N -1 3 248.326 2.025 20 0 BEADHM CCN(CC)C(=O)c1ccc(C)c(C)c1[O-] ZINC000097465001 384525919 /nfs/dbraw/zinc/52/59/19/384525919.db2.gz JQSOPIPFSQDQIV-UHFFFAOYSA-N -1 3 221.300 2.491 20 0 BEADHM CCO[N-]C(=O)Nc1cnc(Cl)c(C)c1 ZINC000184076095 384562928 /nfs/dbraw/zinc/56/29/28/384562928.db2.gz PFLYCTQCZIJDMU-UHFFFAOYSA-N -1 3 229.667 2.116 20 0 BEADHM CCC1(CNC(=O)c2ccccc2[O-])CC1 ZINC000176088070 384553094 /nfs/dbraw/zinc/55/30/94/384553094.db2.gz RUVCWYGAQRSYCA-UHFFFAOYSA-N -1 3 219.284 2.312 20 0 BEADHM O=[S@](C[C@H]1CCCCO1)c1cccc([O-])c1 ZINC000184067089 384558933 /nfs/dbraw/zinc/55/89/33/384558933.db2.gz LAQPERMIBFQRRH-BDJLRTHQSA-N -1 3 240.324 2.069 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000184111063 384569811 /nfs/dbraw/zinc/56/98/11/384569811.db2.gz UFSAGWLAHJUGKL-UHFFFAOYSA-N -1 3 249.192 2.173 20 0 BEADHM O=C(c1ccc(O)cc1[O-])N1CCCC2(CC2)C1 ZINC000184133937 384571352 /nfs/dbraw/zinc/57/13/52/384571352.db2.gz MVFQVKYCHJSTCS-UHFFFAOYSA-N -1 3 247.294 2.114 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2C[C@]2(C)C(C)C)c1C ZINC000361444355 384578068 /nfs/dbraw/zinc/57/80/68/384578068.db2.gz MXWXANQRCRNMHT-IINYFYTJSA-N -1 3 249.358 2.323 20 0 BEADHM C[C@@H](c1ccccn1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000518769441 384614861 /nfs/dbraw/zinc/61/48/61/384614861.db2.gz VKTZMHGVYFCYHB-GRYCIOLGSA-N -1 3 248.326 2.185 20 0 BEADHM CCc1cc(=O)[n-]c(CSC[C@@H](C)OC)n1 ZINC000184600264 384627326 /nfs/dbraw/zinc/62/73/26/384627326.db2.gz UFXKAXYKBJNIGN-MRVPVSSYSA-N -1 3 242.344 2.013 20 0 BEADHM CCc1cc(=O)[n-]c(CN[C@@H](C)C2CCCC2)n1 ZINC000184635225 384629465 /nfs/dbraw/zinc/62/94/65/384629465.db2.gz UOWPDHPGQBZVRF-JTQLQIEISA-N -1 3 249.358 2.413 20 0 BEADHM O=C(Nc1cccc(O)c1)c1cccc([O-])c1 ZINC000020211828 384600181 /nfs/dbraw/zinc/60/01/81/384600181.db2.gz NHJWUYUPGYXUFZ-UHFFFAOYSA-N -1 3 229.235 2.350 20 0 BEADHM COc1cc(C(=O)NC2CCCCC2)ccc1[O-] ZINC000082265686 384657640 /nfs/dbraw/zinc/65/76/40/384657640.db2.gz YQOFDGFICUJXDJ-UHFFFAOYSA-N -1 3 249.310 2.463 20 0 BEADHM COc1cc(C(=O)NCC(C)(C)C)ccc1[O-] ZINC000082286242 384660942 /nfs/dbraw/zinc/66/09/42/384660942.db2.gz QJCVWQNXYLHPDY-UHFFFAOYSA-N -1 3 237.299 2.177 20 0 BEADHM CCO[N-]C(=O)C[C@@H](C)c1ccccc1F ZINC000102634610 384717575 /nfs/dbraw/zinc/71/75/75/384717575.db2.gz ZNUCZBVJOGMBBQ-SECBINFHSA-N -1 3 225.263 2.387 20 0 BEADHM CC[C@H](C)CNC(=O)c1ccccc1[O-] ZINC000054475097 384734826 /nfs/dbraw/zinc/73/48/26/384734826.db2.gz OAFKXWHDZMAJDS-VIFPVBQESA-N -1 3 207.273 2.168 20 0 BEADHM CC/C(=C/C(=O)[N-]OC)c1ccc(OC)cc1 ZINC000125658929 384739072 /nfs/dbraw/zinc/73/90/72/384739072.db2.gz LCRIUOSUKRIJET-KTKRTIGZSA-N -1 3 235.283 2.166 20 0 BEADHM O=C(CC1CCC1)NCc1ccc([O-])c(F)c1 ZINC000174209793 384766096 /nfs/dbraw/zinc/76/60/96/384766096.db2.gz WXXRNRKWXFAYFM-UHFFFAOYSA-N -1 3 237.274 2.338 20 0 BEADHM CCCCN(CC)C(=O)/C=C\c1cncc([O-])c1 ZINC000255539995 384788997 /nfs/dbraw/zinc/78/89/97/384788997.db2.gz XAZNJQXSPJKUGS-SREVYHEPSA-N -1 3 248.326 2.449 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)C(C)C)o1 ZINC000557293446 384903916 /nfs/dbraw/zinc/90/39/16/384903916.db2.gz QBJJKSXUNFZTDR-UHFFFAOYSA-N -1 3 245.344 2.301 20 0 BEADHM COC(=O)c1cnc(SC2CCCC2)[n-]1 ZINC000187589413 384962552 /nfs/dbraw/zinc/96/25/52/384962552.db2.gz PCBXFENAWCWLOY-UHFFFAOYSA-N -1 3 226.301 2.231 20 0 BEADHM O=C(CC[C@H]1CCOC1)[N-]OCc1ccccc1 ZINC000177653140 385072300 /nfs/dbraw/zinc/07/23/00/385072300.db2.gz TYUIWMYIRSRBCJ-ZDUSSCGKSA-N -1 3 249.310 2.051 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCC(=O)C(C)(C)C)c1 ZINC000086512310 385024780 /nfs/dbraw/zinc/02/47/80/385024780.db2.gz VOPVGMRFAPBJHL-UHFFFAOYSA-N -1 3 249.310 2.046 20 0 BEADHM O=C([O-])[C@@H]1CCCN1Cc1cc(F)cc(F)c1 ZINC000130599747 385043562 /nfs/dbraw/zinc/04/35/62/385043562.db2.gz ASEYHRIXVZLEKC-NSHDSACASA-N -1 3 241.237 2.014 20 0 BEADHM O=[S@@](CC[C@H]1CCCO1)c1ccc([O-])cc1 ZINC000189100243 385124765 /nfs/dbraw/zinc/12/47/65/385124765.db2.gz HLLFWTIDYXBUJT-BZNIZROVSA-N -1 3 240.324 2.069 20 0 BEADHM CO[N-]C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000151058814 385085428 /nfs/dbraw/zinc/08/54/28/385085428.db2.gz CYBRRNPMMRBPSP-RQJHMYQMSA-N -1 3 243.665 2.260 20 0 BEADHM O=C(C=C1CCC1)Nc1ccccc1[O-] ZINC000129762797 385186220 /nfs/dbraw/zinc/18/62/20/385186220.db2.gz YWHOEBIJTGDXBU-UHFFFAOYSA-N -1 3 203.241 2.441 20 0 BEADHM O=S(=O)(CCC1CC1)[N-]c1ccccc1F ZINC000129927599 385201970 /nfs/dbraw/zinc/20/19/70/385201970.db2.gz ZJQZWCVQVNCBPC-UHFFFAOYSA-N -1 3 243.303 2.368 20 0 BEADHM CC1(C)C(C(=O)[N-]OCc2cccnc2)C1(C)C ZINC000152284843 385171664 /nfs/dbraw/zinc/17/16/64/385171664.db2.gz JNGFQTXVWVKCIG-UHFFFAOYSA-N -1 3 248.326 2.312 20 0 BEADHM CC[C@@H](C)CC(=O)[N-]OCc1cccnc1 ZINC000189657218 385173189 /nfs/dbraw/zinc/17/31/89/385173189.db2.gz ORSZKDROXNZAPL-SNVBAGLBSA-N -1 3 222.288 2.066 20 0 BEADHM C[C@@H](Nc1nc2nncc-2c(O)[n-]1)C1CCCC1 ZINC000290535036 385248996 /nfs/dbraw/zinc/24/89/96/385248996.db2.gz HUUSYXIJXZPKMA-SSDOTTSWSA-N -1 3 247.302 2.049 20 0 BEADHM CCON=C([O-])N1c2ccccc2C[C@H]1C ZINC000166518384 385250088 /nfs/dbraw/zinc/25/00/88/385250088.db2.gz TXXHKTVUWWZRNZ-SECBINFHSA-N -1 3 220.272 2.099 20 0 BEADHM CCO[N-]C(=O)N1c2ccccc2C[C@H]1C ZINC000166518384 385250096 /nfs/dbraw/zinc/25/00/96/385250096.db2.gz TXXHKTVUWWZRNZ-SECBINFHSA-N -1 3 220.272 2.099 20 0 BEADHM CC(C)CCNC(=O)c1ccccc1[O-] ZINC000019838549 385330374 /nfs/dbraw/zinc/33/03/74/385330374.db2.gz SGOOCHFOMIFRAJ-UHFFFAOYSA-N -1 3 207.273 2.168 20 0 BEADHM CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000178196473 385344515 /nfs/dbraw/zinc/34/45/15/385344515.db2.gz WJSIUSSGFMXRRY-UHFFFAOYSA-N -1 3 233.189 2.273 20 0 BEADHM CC(C)c1noc([N-]Cc2nccs2)n1 ZINC000180406281 385392686 /nfs/dbraw/zinc/39/26/86/385392686.db2.gz MHNPTLHPGJITNG-UHFFFAOYSA-N -1 3 224.289 2.262 20 0 BEADHM CCO[N-]C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000178569544 385392771 /nfs/dbraw/zinc/39/27/71/385392771.db2.gz USHAECKAZSCVOM-DTWKUNHWSA-N -1 3 225.313 2.228 20 0 BEADHM CCCC(C)(C)NC(=O)/C=C/c1cncc([O-])c1 ZINC000181944637 385446328 /nfs/dbraw/zinc/44/63/28/385446328.db2.gz FAIDFDAOQGHZTN-AATRIKPKSA-N -1 3 248.326 2.495 20 0 BEADHM CCN(CC(F)F)C(=O)c1cc(C)ccc1[O-] ZINC000182521910 385453489 /nfs/dbraw/zinc/45/34/89/385453489.db2.gz OEHCKEYTHTVMCQ-UHFFFAOYSA-N -1 3 243.253 2.428 20 0 BEADHM CO[N-]C(=O)[C@H](C)CCCc1ccccc1 ZINC000179721762 385487270 /nfs/dbraw/zinc/48/72/70/385487270.db2.gz GEUJPMXOWNOSBF-LLVKDONJSA-N -1 3 221.300 2.323 20 0 BEADHM CC(C)[C@@H](O)C(=O)Nc1ccc([O-])cc1Cl ZINC000616940276 385511889 /nfs/dbraw/zinc/51/18/89/385511889.db2.gz WBTGCDNZBVBNBK-SNVBAGLBSA-N -1 3 243.690 2.001 20 0 BEADHM CSC[C@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000183260792 385516450 /nfs/dbraw/zinc/51/64/50/385516450.db2.gz UVWHJVOQHSXCJA-ZETCQYMHSA-N -1 3 243.303 2.469 20 0 BEADHM Cc1ccc(NC(=O)[C@](C)(O)C2CCC2)c([O-])c1 ZINC000362375669 385529623 /nfs/dbraw/zinc/52/96/23/385529623.db2.gz LDDJSTVEPWCDFR-CQSZACIVSA-N -1 3 249.310 2.190 20 0 BEADHM CC(C)c1cc(C(=O)Nc2ncccc2[O-])no1 ZINC000180993207 385558927 /nfs/dbraw/zinc/55/89/27/385558927.db2.gz IWFDNMGDJFJVJX-UHFFFAOYSA-N -1 3 247.254 2.151 20 0 BEADHM CCOCc1nnc([N-]Cc2ccc(C)o2)o1 ZINC000181982200 385623520 /nfs/dbraw/zinc/62/35/20/385623520.db2.gz RFFWPJJUGHLQKG-UHFFFAOYSA-N -1 3 237.259 2.120 20 0 BEADHM CN(CC1CCCC1)C(=O)c1csc(=O)[n-]1 ZINC000334763849 385629001 /nfs/dbraw/zinc/62/90/01/385629001.db2.gz PFGCGFYYRQFUOH-UHFFFAOYSA-N -1 3 240.328 2.111 20 0 BEADHM Cc1noc([N-]C(=O)c2ccoc2C2CC2)n1 ZINC000281089950 385633273 /nfs/dbraw/zinc/63/32/73/385633273.db2.gz AJKNFQOBZFYVSX-UHFFFAOYSA-N -1 3 233.227 2.101 20 0 BEADHM O=C([O-])c1ccc(CN2CC=CCC2)cc1 ZINC000059406279 385662647 /nfs/dbraw/zinc/66/26/47/385662647.db2.gz IAARGXOZSOTCCE-UHFFFAOYSA-N -1 3 217.268 2.147 20 0 BEADHM CCc1cc(=O)[n-]c(CN[C@@H]2CCC[C@@H]2C)n1 ZINC000337465350 385671677 /nfs/dbraw/zinc/67/16/77/385671677.db2.gz MILPJDWJNIYVTP-GXSJLCMTSA-N -1 3 235.331 2.023 20 0 BEADHM CCc1cc(=O)[n-]c(CN[C@H]2CCC[C@H]2C)n1 ZINC000337465351 385672492 /nfs/dbraw/zinc/67/24/92/385672492.db2.gz MILPJDWJNIYVTP-KOLCDFICSA-N -1 3 235.331 2.023 20 0 BEADHM C[C@H]1CCC[C@H]1CNC(=O)c1ccc(O)cc1[O-] ZINC000235550574 259674449 /nfs/dbraw/zinc/67/44/49/259674449.db2.gz PXPKQNWVLWVGCC-UWVGGRQHSA-N -1 3 249.310 2.264 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(F)cc1C ZINC000182891781 385717957 /nfs/dbraw/zinc/71/79/57/385717957.db2.gz BFRSPHMWWQRGOS-UHFFFAOYSA-N -1 3 212.224 2.207 20 0 BEADHM CCO[N-]C(=O)Nc1c(C)cccc1C ZINC000182886885 385716107 /nfs/dbraw/zinc/71/61/07/385716107.db2.gz BXKTZEQEOJANQS-UHFFFAOYSA-N -1 3 208.261 2.376 20 0 BEADHM CC[C@H]1CN(C(=O)c2cccc([O-])c2)C[C@@H](C)O1 ZINC000182423748 385669447 /nfs/dbraw/zinc/66/94/47/385669447.db2.gz NIXMIKWAXJICHK-MFKMUULPSA-N -1 3 249.310 2.032 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c([O-])c1 ZINC000282644562 385774084 /nfs/dbraw/zinc/77/40/84/385774084.db2.gz KRDHWPASVUFOGZ-OUJBWJOFSA-N -1 3 249.310 2.453 20 0 BEADHM O=C([O-])c1ccc(CN2CCCC2)c(F)c1 ZINC000062749978 385775739 /nfs/dbraw/zinc/77/57/39/385775739.db2.gz CQHMWRGWNUBYBR-UHFFFAOYSA-N -1 3 223.247 2.120 20 0 BEADHM CCON=C([O-])Nc1nc(C2CCC2)cs1 ZINC000282989068 385803279 /nfs/dbraw/zinc/80/32/79/385803279.db2.gz LCCQWUUJJIRAEQ-UHFFFAOYSA-N -1 3 241.316 2.484 20 0 BEADHM CCO[N-]C(=O)Nc1nc(C2CCC2)cs1 ZINC000282989068 385803286 /nfs/dbraw/zinc/80/32/86/385803286.db2.gz LCCQWUUJJIRAEQ-UHFFFAOYSA-N -1 3 241.316 2.484 20 0 BEADHM Cc1cc(C(=O)N2CCC[C@@H]2CF)ccc1[O-] ZINC000294199786 385822252 /nfs/dbraw/zinc/82/22/52/385822252.db2.gz UWRUMCJIFFYJJM-LLVKDONJSA-N -1 3 237.274 2.275 20 0 BEADHM CSc1nnc(NC(=O)CCCC(C)C)[n-]1 ZINC000294630457 385877121 /nfs/dbraw/zinc/87/71/21/385877121.db2.gz FZQIHMTVQGPLJK-UHFFFAOYSA-N -1 3 242.348 2.291 20 0 BEADHM CSc1n[n-]c(NC(=O)CCCC(C)C)n1 ZINC000294630457 385877123 /nfs/dbraw/zinc/87/71/23/385877123.db2.gz FZQIHMTVQGPLJK-UHFFFAOYSA-N -1 3 242.348 2.291 20 0 BEADHM CSc1nc(NC(=O)CCCC(C)C)n[n-]1 ZINC000294630457 385877126 /nfs/dbraw/zinc/87/71/26/385877126.db2.gz FZQIHMTVQGPLJK-UHFFFAOYSA-N -1 3 242.348 2.291 20 0 BEADHM CS[C@H]1CCN(Cc2cc([O-])cc(F)c2)C1 ZINC000294992929 385937661 /nfs/dbraw/zinc/93/76/61/385937661.db2.gz HSQJVIZGFZIJAA-LBPRGKRZSA-N -1 3 241.331 2.469 20 0 BEADHM CSC[C@H](C)C(=O)Nc1nc(C)ccc1[O-] ZINC000273446322 386001082 /nfs/dbraw/zinc/00/10/82/386001082.db2.gz GUFAUKRYKDNDMF-ZETCQYMHSA-N -1 3 240.328 2.033 20 0 BEADHM CC[C@H]1C[C@@H](NC(=O)c2cccc([O-])c2)CCO1 ZINC000335066403 386006089 /nfs/dbraw/zinc/00/60/89/386006089.db2.gz FOAYCDIFNLRSNO-AAEUAGOBSA-N -1 3 249.310 2.080 20 0 BEADHM C/C=C/CNCc1ccc(C(=O)[O-])cc1 ZINC000026483043 386017169 /nfs/dbraw/zinc/01/71/69/386017169.db2.gz HBLZFUWUPTWPIF-NSCUHMNNSA-N -1 3 205.257 2.051 20 0 BEADHM O=S(=O)([N-]c1cc(F)cc(Cl)c1)C1CC1 ZINC000273956847 386054531 /nfs/dbraw/zinc/05/45/31/386054531.db2.gz VROHSJBGIOJQSX-UHFFFAOYSA-N -1 3 249.694 2.383 20 0 BEADHM Cc1ccc(-c2nc(C3(N)CCC3)no2)c([O-])c1 ZINC000414627680 385996742 /nfs/dbraw/zinc/99/67/42/385996742.db2.gz MGKBCDRKGXRTEG-UHFFFAOYSA-N -1 3 245.282 2.089 20 0 BEADHM Cc1ccc(C(=O)CCC(=O)[N-]OC(C)C)cc1 ZINC000295719502 386075536 /nfs/dbraw/zinc/07/55/36/386075536.db2.gz QFIUQDMHPBQSJD-UHFFFAOYSA-N -1 3 249.310 2.414 20 0 BEADHM CCC1CN(C(=O)c2cccc(C)c2[O-])C1 ZINC000335078095 386076976 /nfs/dbraw/zinc/07/69/76/386076976.db2.gz KPFMNLSBJMDBCA-UHFFFAOYSA-N -1 3 219.284 2.183 20 0 BEADHM CCc1cc(C(=O)Nc2cc(F)ccc2[O-])n[nH]1 ZINC000334478272 386163784 /nfs/dbraw/zinc/16/37/84/386163784.db2.gz QIYARCNGHUSFNU-UHFFFAOYSA-N -1 3 249.245 2.069 20 0 BEADHM COCc1cccc(NC([O-])=NOC(C)C)c1 ZINC000296449753 386173524 /nfs/dbraw/zinc/17/35/24/386173524.db2.gz VACKXAPYLNWIRB-UHFFFAOYSA-N -1 3 238.287 2.295 20 0 BEADHM COCc1cccc(NC(=O)[N-]OC(C)C)c1 ZINC000296449753 386173530 /nfs/dbraw/zinc/17/35/30/386173530.db2.gz VACKXAPYLNWIRB-UHFFFAOYSA-N -1 3 238.287 2.295 20 0 BEADHM CCc1ccc(C(=O)N[C@@H](C)CF)c([O-])c1 ZINC000288311396 386185010 /nfs/dbraw/zinc/18/50/10/386185010.db2.gz RQOZJGJTKKSEOY-QMMMGPOBSA-N -1 3 225.263 2.042 20 0 BEADHM CC[C@@H](C)CN(C)C(=O)c1ccc(O)cc1[O-] ZINC000225731393 386215133 /nfs/dbraw/zinc/21/51/33/386215133.db2.gz MBQLNXKQTHWKPD-SECBINFHSA-N -1 3 237.299 2.216 20 0 BEADHM CCc1cc(C(=O)NOC(C)C)ccc1[O-] ZINC000297332019 386244432 /nfs/dbraw/zinc/24/44/32/386244432.db2.gz WWTSVVNGZOFQFD-UHFFFAOYSA-N -1 3 223.272 2.024 20 0 BEADHM COc1cc(C(=O)N2CCC[C@@H]2C)ccc1[O-] ZINC000275919900 386252639 /nfs/dbraw/zinc/25/26/39/386252639.db2.gz AMQWXVZXXUMEQH-VIFPVBQESA-N -1 3 235.283 2.025 20 0 BEADHM CCc1ccc(-c2nc(N(C)C)no2)c([O-])c1 ZINC000276407716 386316985 /nfs/dbraw/zinc/31/69/85/386316985.db2.gz VKUYKASOYGLVBQ-UHFFFAOYSA-N -1 3 233.271 2.071 20 0 BEADHM O=C([N-]OC1CCCC1)C1Cc2ccccc2C1 ZINC000236407247 386264251 /nfs/dbraw/zinc/26/42/51/386264251.db2.gz ZJFXGOPBGALREU-UHFFFAOYSA-N -1 3 245.322 2.392 20 0 BEADHM COc1cc(C(=O)N2C[C@H](C)[C@H](C)C2)ccc1[O-] ZINC000276038239 386266609 /nfs/dbraw/zinc/26/66/09/386266609.db2.gz VLWVUJQKIOYPDZ-AOOOYVTPSA-N -1 3 249.310 2.129 20 0 BEADHM COc1cc(C(=O)NCC2(C)CCC2)ccc1[O-] ZINC000276060686 386269025 /nfs/dbraw/zinc/26/90/25/386269025.db2.gz ZQFHMBUEJRDEIK-UHFFFAOYSA-N -1 3 249.310 2.321 20 0 BEADHM Cc1noc(C)c1NC([O-])=NOC/C=C/Cl ZINC000289840625 386361913 /nfs/dbraw/zinc/36/19/13/386361913.db2.gz OWRCYUMEGGYARQ-ONEGZZNKSA-N -1 3 245.666 2.097 20 0 BEADHM Cc1noc(C)c1NC(=O)[N-]OC/C=C/Cl ZINC000289840625 386361917 /nfs/dbraw/zinc/36/19/17/386361917.db2.gz OWRCYUMEGGYARQ-ONEGZZNKSA-N -1 3 245.666 2.097 20 0 BEADHM Cn1ccc(/C=C/C(=O)[N-]OC2CCCC2)c1 ZINC000276886047 386385600 /nfs/dbraw/zinc/38/56/00/386385600.db2.gz MAZUGBVTLOSQLM-VOTSOKGWSA-N -1 3 234.299 2.029 20 0 BEADHM Cc1noc([N-]C(=O)COC(C)(C)C)c1C ZINC000226535586 386328214 /nfs/dbraw/zinc/32/82/14/386328214.db2.gz ALSKDYHBRVTNMA-UHFFFAOYSA-N -1 3 226.276 2.045 20 0 BEADHM Cc1cc(C(=O)N[C@@H]2CC2(C)C)ccc1[O-] ZINC000227020994 386448813 /nfs/dbraw/zinc/44/88/13/386448813.db2.gz CTIKQUDJHCWSNI-LLVKDONJSA-N -1 3 219.284 2.229 20 0 BEADHM CCO[N-]C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000298970726 386400399 /nfs/dbraw/zinc/40/03/99/386400399.db2.gz QJKRODZWJIOAOP-SECBINFHSA-N -1 3 225.263 2.387 20 0 BEADHM CCCCC[C@H](C)Nc1nc2nncc-2c(O)[n-]1 ZINC000277336052 386427226 /nfs/dbraw/zinc/42/72/26/386427226.db2.gz YXYJYNLYTLWDHJ-QMMMGPOBSA-N -1 3 249.318 2.439 20 0 BEADHM Cc1cccc(CNC(=O)c2csc(=O)[n-]2)c1 ZINC000335430338 386486353 /nfs/dbraw/zinc/48/63/53/386486353.db2.gz GKMLZPUEDVEGOO-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM CO[C@@](C)(C(=O)Nc1ccccc1[O-])C1CC1 ZINC000291006001 386498940 /nfs/dbraw/zinc/49/89/40/386498940.db2.gz UJOYOFAITQJAAG-CYBMUJFWSA-N -1 3 235.283 2.146 20 0 BEADHM Cc1ccoc1CN1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000335444059 386507811 /nfs/dbraw/zinc/50/78/11/386507811.db2.gz RBXICOZIKSMCGG-KOLCDFICSA-N -1 3 237.299 2.131 20 0 BEADHM Cc1ccc2c(c1C)OC[C@H]2[N-]C(=O)C(F)F ZINC000278752382 386577104 /nfs/dbraw/zinc/57/71/04/386577104.db2.gz SMBVVPPQVZMEDK-SECBINFHSA-N -1 3 241.237 2.118 20 0 BEADHM CCc1cc(C(=O)N[C@@H](C)C2CC2)ccc1[O-] ZINC000291421541 386543840 /nfs/dbraw/zinc/54/38/40/386543840.db2.gz HYENIBUYAPOLIL-VIFPVBQESA-N -1 3 233.311 2.483 20 0 BEADHM CCc1cc(C(=O)N[C@@H](C)CC)ccc1[O-] ZINC000291462988 386547902 /nfs/dbraw/zinc/54/79/02/386547902.db2.gz NTBRZYGQLMPDPY-VIFPVBQESA-N -1 3 221.300 2.483 20 0 BEADHM CC[C@@H](C)CON=C([O-])Nc1nccs1 ZINC000291711603 386572987 /nfs/dbraw/zinc/57/29/87/386572987.db2.gz GKQCLFFITDVZPN-SSDOTTSWSA-N -1 3 229.305 2.242 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Nc1nccs1 ZINC000291711603 386572991 /nfs/dbraw/zinc/57/29/91/386572991.db2.gz GKQCLFFITDVZPN-SSDOTTSWSA-N -1 3 229.305 2.242 20 0 BEADHM Cc1cccc(-c2nc([C@H]3CCOC3)no2)c1[O-] ZINC000087810109 386622841 /nfs/dbraw/zinc/62/28/41/386622841.db2.gz XAEVGFBWCHKMTE-VIFPVBQESA-N -1 3 246.266 2.255 20 0 BEADHM CC[C@H]1CC[C@@H](C(=O)Nc2ccccc2[O-])O1 ZINC000268228890 386633522 /nfs/dbraw/zinc/63/35/22/386633522.db2.gz KRPDZBVPLKLJQZ-CABZTGNLSA-N -1 3 235.283 2.288 20 0 BEADHM CCc1cc(C(=O)N[C@@H](C)CC(C)=O)ccc1[O-] ZINC000292221847 386636114 /nfs/dbraw/zinc/63/61/14/386636114.db2.gz QOEJWZYRZSTORS-VIFPVBQESA-N -1 3 249.310 2.052 20 0 BEADHM CC[C@H]1CC[C@H](C(=O)[N-]c2onc(C)c2C)O1 ZINC000268301921 386639634 /nfs/dbraw/zinc/63/96/34/386639634.db2.gz XDSNUEXOBWBKGT-VHSXEESVSA-N -1 3 238.287 2.188 20 0 BEADHM O=C(N[C@@H]1CCC[C@@H](F)C1)c1cccc([O-])c1 ZINC000335509709 386643704 /nfs/dbraw/zinc/64/37/04/386643704.db2.gz KCJMQUQRSJOAME-GHMZBOCLSA-N -1 3 237.274 2.403 20 0 BEADHM O=C(CCc1ccccc1)[N-]OC/C=C/Cl ZINC000291946126 386601176 /nfs/dbraw/zinc/60/11/76/386601176.db2.gz WHCMNGMHGQNQJW-RUDMXATFSA-N -1 3 239.702 2.420 20 0 BEADHM Cc1cnc(C(C)(C)[N-]C(=O)C(F)F)s1 ZINC000278976192 386614455 /nfs/dbraw/zinc/61/44/55/386614455.db2.gz CYUPDNKIAMQABP-UHFFFAOYSA-N -1 3 234.271 2.068 20 0 BEADHM C[C@@H](CC(=O)[O-])NCc1ccc(Cl)cc1F ZINC000336738889 386663026 /nfs/dbraw/zinc/66/30/26/386663026.db2.gz KQOSVDSJIYSZJR-ZETCQYMHSA-N -1 3 245.681 2.432 20 0 BEADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000187406166 386694654 /nfs/dbraw/zinc/69/46/54/386694654.db2.gz GJUOZWPIFUGYJE-CABZTGNLSA-N -1 3 249.310 2.358 20 0 BEADHM Cc1ccnc(C[N-]c2nnc(C(F)F)o2)c1 ZINC000292727495 386713646 /nfs/dbraw/zinc/71/36/46/386713646.db2.gz HVVIPZXBCCKXSZ-UHFFFAOYSA-N -1 3 240.213 2.323 20 0 BEADHM CC(C)c1csc(C[N-]C(=O)C(F)F)n1 ZINC000279896089 386752722 /nfs/dbraw/zinc/75/27/22/386752722.db2.gz OOTASXFPOBJYLD-UHFFFAOYSA-N -1 3 234.271 2.148 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]2F)c1 ZINC000340780723 386771281 /nfs/dbraw/zinc/77/12/81/386771281.db2.gz QBWXIXOXZCJRRX-WDEREUQCSA-N -1 3 237.274 2.321 20 0 BEADHM CC[C@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000155525419 386773637 /nfs/dbraw/zinc/77/36/37/386773637.db2.gz QRPMLWODKYONIK-JOYOIKCWSA-N -1 3 249.310 2.406 20 0 BEADHM CSCCO[N-]C(=O)C[C@@H]1C=CCCC1 ZINC000280087674 386777592 /nfs/dbraw/zinc/77/75/92/386777592.db2.gz SXMMRFWCLLRQNL-SNVBAGLBSA-N -1 3 229.345 2.144 20 0 BEADHM CSCCON=C([O-])Nc1ccccc1F ZINC000280475298 386816815 /nfs/dbraw/zinc/81/68/15/386816815.db2.gz IPIDQBFAJHXZSI-UHFFFAOYSA-N -1 3 244.291 2.242 20 0 BEADHM CSCCO[N-]C(=O)Nc1ccccc1F ZINC000280475298 386816823 /nfs/dbraw/zinc/81/68/23/386816823.db2.gz IPIDQBFAJHXZSI-UHFFFAOYSA-N -1 3 244.291 2.242 20 0 BEADHM COc1cc(C(=O)N(C)CC2CCC2)ccc1[O-] ZINC000357654466 386822288 /nfs/dbraw/zinc/82/22/88/386822288.db2.gz NNKAUNGCVPNQQP-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM CCCCC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000340938407 386802434 /nfs/dbraw/zinc/80/24/34/386802434.db2.gz ZLLNBSYTYPDLCX-SNVBAGLBSA-N -1 3 238.335 2.055 20 0 BEADHM Cc1ccc(C)c(CC(=O)[N-]OCC2CC2)c1 ZINC000293877807 386893463 /nfs/dbraw/zinc/89/34/63/386893463.db2.gz XJCSWNXJFFSFKE-UHFFFAOYSA-N -1 3 233.311 2.304 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccccc1O ZINC000293699905 386864424 /nfs/dbraw/zinc/86/44/24/386864424.db2.gz KXGAYPSWKZCUEW-SNVBAGLBSA-N -1 3 237.299 2.029 20 0 BEADHM C[C@@H]1[C@@H](C(=O)Nc2ccccc2[O-])C1(F)F ZINC000335751389 386876431 /nfs/dbraw/zinc/87/64/31/386876431.db2.gz SJTARTMFUZSMAF-MUWHJKNJSA-N -1 3 227.210 2.232 20 0 BEADHM C[C@H]1[C@H](C(=O)Nc2ccccc2[O-])C1(F)F ZINC000335751388 386876949 /nfs/dbraw/zinc/87/69/49/386876949.db2.gz SJTARTMFUZSMAF-IMTBSYHQSA-N -1 3 227.210 2.232 20 0 BEADHM C[C@H](C(=O)Nc1ncccc1[O-])C(C)(C)C ZINC000330793776 386889997 /nfs/dbraw/zinc/88/99/97/386889997.db2.gz FNJPZBDUWFAHMK-MRVPVSSYSA-N -1 3 222.288 2.408 20 0 BEADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358425572 386954318 /nfs/dbraw/zinc/95/43/18/386954318.db2.gz IOXGIYRTYIIMFG-PSASIEDQSA-N -1 3 245.344 2.301 20 0 BEADHM CC[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762227 386955748 /nfs/dbraw/zinc/95/57/48/386955748.db2.gz VRKMWEAWAGNWFC-LLVKDONJSA-N -1 3 248.326 2.402 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)C(C)C)o1 ZINC000358431987 386957016 /nfs/dbraw/zinc/95/70/16/386957016.db2.gz VOAUEOQDSVNGNZ-SECBINFHSA-N -1 3 245.344 2.158 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)n1 ZINC000333636182 387047850 /nfs/dbraw/zinc/04/78/50/387047850.db2.gz BEDRFJLFELSYQL-GARJFASQSA-N -1 3 246.310 2.470 20 0 BEADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000334061288 387053853 /nfs/dbraw/zinc/05/38/53/387053853.db2.gz USMAXKXWLKINAL-HTQZYQBOSA-N -1 3 242.344 2.403 20 0 BEADHM C[C@@H](C[C@H]1CCCO1)NC(=O)c1ccccc1[O-] ZINC000334087117 387055419 /nfs/dbraw/zinc/05/54/19/387055419.db2.gz KPHIKYFALZTXCG-WDEREUQCSA-N -1 3 249.310 2.080 20 0 BEADHM FC(F)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117113893 387009611 /nfs/dbraw/zinc/00/96/11/387009611.db2.gz XERGHDDWMCPYRO-UHFFFAOYSA-N -1 3 242.254 2.224 20 0 BEADHM CCc1cc(C)c(C(=O)N=c2[n-]oc(C)c2C)o1 ZINC000334881656 387023819 /nfs/dbraw/zinc/02/38/19/387023819.db2.gz IICKLVRWWLWQMO-UHFFFAOYSA-N -1 3 248.282 2.429 20 0 BEADHM Cc1ccc([O-])c(CN2CC(CC(F)F)C2)n1 ZINC000425366304 387025071 /nfs/dbraw/zinc/02/50/71/387025071.db2.gz PELLQKQCPDDYMZ-UHFFFAOYSA-N -1 3 242.269 2.183 20 0 BEADHM CC(C)(C)CCNC(=O)c1ccc2n[n-]nc2c1 ZINC000031760182 387071369 /nfs/dbraw/zinc/07/13/69/387071369.db2.gz YXWXGGQLKKLQGS-UHFFFAOYSA-N -1 3 246.314 2.124 20 0 BEADHM Cc1csc(S(=O)(=O)[N-]C2CC(C)C2)c1 ZINC000336259671 387090614 /nfs/dbraw/zinc/09/06/14/387090614.db2.gz CTFLPQYXMNKXJL-UHFFFAOYSA-N -1 3 245.369 2.133 20 0 BEADHM Cc1cc(C(=O)NC(C)(C)CF)ccc1[O-] ZINC000336283053 387118502 /nfs/dbraw/zinc/11/85/02/387118502.db2.gz RYIWMMKAWDDTBC-UHFFFAOYSA-N -1 3 225.263 2.179 20 0 BEADHM CC(C)(NC(=O)c1csc(=O)[n-]1)C1CCC1 ZINC000333971948 387118757 /nfs/dbraw/zinc/11/87/57/387118757.db2.gz WQANGEMUKUNPGL-UHFFFAOYSA-N -1 3 240.328 2.157 20 0 BEADHM Cc1ccc(CC(=O)Nc2ncccc2[O-])cc1 ZINC000071812357 387121887 /nfs/dbraw/zinc/12/18/87/387121887.db2.gz YGUSBTCTAALUAD-UHFFFAOYSA-N -1 3 242.278 2.277 20 0 BEADHM CCC[C@H]1C[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000359846499 387175609 /nfs/dbraw/zinc/17/56/09/387175609.db2.gz KSVSKUPVBXTCHN-IUCAKERBSA-N -1 3 220.272 2.162 20 0 BEADHM CC[C@H]1CCCN(C(=O)c2csc(=O)[n-]2)C1 ZINC000336346926 387177207 /nfs/dbraw/zinc/17/72/07/387177207.db2.gz MERBKKXTXGNDAI-QMMMGPOBSA-N -1 3 240.328 2.111 20 0 BEADHM Cc1cncc(CN(C[C@H](C)C(=O)[O-])C2CC2)c1 ZINC000572048741 387228238 /nfs/dbraw/zinc/22/82/38/387228238.db2.gz GMPZOABNBNTTNE-NSHDSACASA-N -1 3 248.326 2.075 20 0 BEADHM Cc1noc(C)c1[N-]C(=O)c1cncc(F)c1 ZINC000336406489 387236110 /nfs/dbraw/zinc/23/61/10/387236110.db2.gz YJUYFWDJNOMWRS-UHFFFAOYSA-N -1 3 235.218 2.078 20 0 BEADHM CC(C)CCC[C@@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000353420428 387197769 /nfs/dbraw/zinc/19/77/69/387197769.db2.gz HBOVDHOYQSYLMW-SNVBAGLBSA-N -1 3 247.346 2.353 20 0 BEADHM O=C(c1ccc(O)cc1[O-])N1CCC2(CC2)CC1 ZINC000372584900 387311872 /nfs/dbraw/zinc/31/18/72/387311872.db2.gz PHPGGGJPCSCHOZ-UHFFFAOYSA-N -1 3 247.294 2.114 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CCC23CCC3)c1 ZINC000336602231 387445143 /nfs/dbraw/zinc/44/51/43/387445143.db2.gz APGZMIWAFVEXAE-UHFFFAOYSA-N -1 3 247.294 2.169 20 0 BEADHM CCN(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000038024229 387451204 /nfs/dbraw/zinc/45/12/04/387451204.db2.gz ILGLILPIEUEVDZ-UHFFFAOYSA-N -1 3 243.253 2.261 20 0 BEADHM CCc1cc(=O)[n-]c(CN2[C@@H](C)CC[C@@H]2C)n1 ZINC000122225372 387501470 /nfs/dbraw/zinc/50/14/70/387501470.db2.gz ZLAAFXYIRHLYCI-UWVGGRQHSA-N -1 3 235.331 2.117 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2C(C)C)n1 ZINC000361613329 387511746 /nfs/dbraw/zinc/51/17/46/387511746.db2.gz XKTDCQDTHHKYNH-NXEZZACHSA-N -1 3 234.299 2.326 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c1C ZINC000361444354 387462763 /nfs/dbraw/zinc/46/27/63/387462763.db2.gz MXWXANQRCRNMHT-HZMBPMFUSA-N -1 3 249.358 2.323 20 0 BEADHM C[C@H](CC(=O)[O-])NCc1cc2ccccc2o1 ZINC000362346092 387599109 /nfs/dbraw/zinc/59/91/09/387599109.db2.gz JSUWPMXKHRWTBD-SECBINFHSA-N -1 3 233.267 2.386 20 0 BEADHM CO[C@H](C)CCC(=O)Nc1ccc([O-])cc1F ZINC000124260594 387609626 /nfs/dbraw/zinc/60/96/26/387609626.db2.gz IQCPFOHOYPCLSU-MRVPVSSYSA-N -1 3 241.262 2.285 20 0 BEADHM CCc1cc(C(=O)Nc2ccc([O-])cc2F)n[nH]1 ZINC000124633298 387626342 /nfs/dbraw/zinc/62/63/42/387626342.db2.gz BHWPOGNSVZXXSO-UHFFFAOYSA-N -1 3 249.245 2.069 20 0 BEADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccccn1 ZINC000035122295 387554614 /nfs/dbraw/zinc/55/46/14/387554614.db2.gz JNZLVMZUXDNMBW-SNVBAGLBSA-N -1 3 242.278 2.278 20 0 BEADHM CCC[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000648116596 387689250 /nfs/dbraw/zinc/68/92/50/387689250.db2.gz BVUQHEKCOJFOTH-VIFPVBQESA-N -1 3 239.290 2.379 20 0 BEADHM CCO[N-]C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000527790686 387717883 /nfs/dbraw/zinc/71/78/83/387717883.db2.gz ZZZHSDQNFWLLCQ-RYUDHWBXSA-N -1 3 237.274 2.387 20 0 BEADHM O=C(CCCC(F)(F)F)Nc1ncccc1[O-] ZINC000356801822 387722667 /nfs/dbraw/zinc/72/26/67/387722667.db2.gz XONHXTBFQRVZGW-UHFFFAOYSA-N -1 3 248.204 2.458 20 0 BEADHM CCCN(CC)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448674572 387834668 /nfs/dbraw/zinc/83/46/68/387834668.db2.gz YQVOWWBRMGILJR-UHFFFAOYSA-N -1 3 239.290 2.332 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@H](C)C2CC2)c1 ZINC000452548741 387854756 /nfs/dbraw/zinc/85/47/56/387854756.db2.gz QZRLAOSACPGLRJ-SECBINFHSA-N -1 3 233.311 2.483 20 0 BEADHM O=C([N-]O[C@@H]1CCCCO1)[C@H]1CCCC12CC2 ZINC000528328831 387893848 /nfs/dbraw/zinc/89/38/48/387893848.db2.gz FQUNJQBEOFXLHS-GHMZBOCLSA-N -1 3 239.315 2.141 20 0 BEADHM O=C(Nc1cn[nH]c1)c1cc([O-])ccc1Cl ZINC000236559339 387896004 /nfs/dbraw/zinc/89/60/04/387896004.db2.gz ZZAUJPISBQLFHA-UHFFFAOYSA-N -1 3 237.646 2.021 20 0 BEADHM CC[C@H](NC(=O)c1ccc([O-])c(C)c1)C(F)F ZINC000452666580 387884582 /nfs/dbraw/zinc/88/45/82/387884582.db2.gz FQKYQVYKVLAPSR-VIFPVBQESA-N -1 3 243.253 2.474 20 0 BEADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)[C@H](C)[C@@H](C)O1 ZINC000438408719 387932721 /nfs/dbraw/zinc/93/27/21/387932721.db2.gz DQQSEVCGFIHBIW-GMTAPVOTSA-N -1 3 249.310 2.030 20 0 BEADHM CCCCN(CC)C(=O)c1ccc(O)cc1[O-] ZINC000220348419 387921112 /nfs/dbraw/zinc/92/11/12/387921112.db2.gz XXMTWNAXRAXDGJ-UHFFFAOYSA-N -1 3 237.299 2.360 20 0 BEADHM C[C@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1F ZINC000163790766 388006658 /nfs/dbraw/zinc/00/66/58/388006658.db2.gz APNJIYMPJQIXIJ-SSDOTTSWSA-N -1 3 245.681 2.384 20 0 BEADHM CCC[C@@H](NC(=O)c1c[n-]nn1)c1ccccc1 ZINC000108286137 388023839 /nfs/dbraw/zinc/02/38/39/388023839.db2.gz LYXWWCIYVOVIKR-LLVKDONJSA-N -1 3 244.298 2.076 20 0 BEADHM CCC[C@@H](NC(=O)c1cnn[n-]1)c1ccccc1 ZINC000108286137 388023841 /nfs/dbraw/zinc/02/38/41/388023841.db2.gz LYXWWCIYVOVIKR-LLVKDONJSA-N -1 3 244.298 2.076 20 0 BEADHM CCC[C@@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000108286137 388023844 /nfs/dbraw/zinc/02/38/44/388023844.db2.gz LYXWWCIYVOVIKR-LLVKDONJSA-N -1 3 244.298 2.076 20 0 BEADHM CCC[C@H](NC(=O)c1c[n-]nn1)c1ccccc1 ZINC000108286132 388024857 /nfs/dbraw/zinc/02/48/57/388024857.db2.gz LYXWWCIYVOVIKR-NSHDSACASA-N -1 3 244.298 2.076 20 0 BEADHM CCC[C@H](NC(=O)c1cnn[n-]1)c1ccccc1 ZINC000108286132 388024861 /nfs/dbraw/zinc/02/48/61/388024861.db2.gz LYXWWCIYVOVIKR-NSHDSACASA-N -1 3 244.298 2.076 20 0 BEADHM CCC[C@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000108286132 388024864 /nfs/dbraw/zinc/02/48/64/388024864.db2.gz LYXWWCIYVOVIKR-NSHDSACASA-N -1 3 244.298 2.076 20 0 BEADHM O=C(c1ccccc1[O-])N(CC(F)F)C1CC1 ZINC000117654762 388090119 /nfs/dbraw/zinc/09/01/19/388090119.db2.gz ZZEHOTNQRYIFJA-UHFFFAOYSA-N -1 3 241.237 2.262 20 0 BEADHM CCO[C@@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000456933974 388234360 /nfs/dbraw/zinc/23/43/60/388234360.db2.gz CNRGYKLOEGQTSC-DGCLKSJQSA-N -1 3 249.310 2.080 20 0 BEADHM CCC(C)(C)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000492022596 388331827 /nfs/dbraw/zinc/33/18/27/388331827.db2.gz WOYXRYQEZQOMHS-VOTSOKGWSA-N -1 3 248.326 2.447 20 0 BEADHM C[C@@H]1CC[C@H](CNC(=O)c2ccc(O)cc2[O-])C1 ZINC000235350930 388368031 /nfs/dbraw/zinc/36/80/31/388368031.db2.gz SHXDISLWWYDUCJ-ZJUUUORDSA-N -1 3 249.310 2.264 20 0 BEADHM CCCCN(C)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646602322 388393573 /nfs/dbraw/zinc/39/35/73/388393573.db2.gz FKCKYTRMBFWKNC-UHFFFAOYSA-N -1 3 247.298 2.141 20 0 BEADHM CSC[C@@H](C)C(=O)[N-]OCc1ccccc1 ZINC000066819542 388403943 /nfs/dbraw/zinc/40/39/43/388403943.db2.gz NXVGTEFBHJFKKZ-SNVBAGLBSA-N -1 3 239.340 2.234 20 0 BEADHM Cc1cccc(C(=O)NCCCCF)c1[O-] ZINC000393794492 388443163 /nfs/dbraw/zinc/44/31/63/388443163.db2.gz NXOWCMMNRUJHCU-UHFFFAOYSA-N -1 3 225.263 2.180 20 0 BEADHM CN(Cc1cc([O-])cc(F)c1)[C@@H]1CCCOC1 ZINC000335329407 388449783 /nfs/dbraw/zinc/44/97/83/388449783.db2.gz SFKYTVJLCAFJRQ-GFCCVEGCSA-N -1 3 239.290 2.142 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1C[C@@H]1C(C)C ZINC000649229713 388463430 /nfs/dbraw/zinc/46/34/30/388463430.db2.gz KNAXDWRNMDFXKN-MNOVXSKESA-N -1 3 249.358 2.494 20 0 BEADHM CCc1ccc(C[N-]c2nc(C)no2)o1 ZINC000134432278 388476047 /nfs/dbraw/zinc/47/60/47/388476047.db2.gz IDTFVPXCOMQXJY-UHFFFAOYSA-N -1 3 207.233 2.146 20 0 BEADHM CCC1(NC(=O)c2cccc([O-])c2)CC1 ZINC000295775263 388414864 /nfs/dbraw/zinc/41/48/64/388414864.db2.gz CVDXSWQNFVUHGR-UHFFFAOYSA-N -1 3 205.257 2.065 20 0 BEADHM CC(=O)CN(C(=O)c1cccc(C)c1[O-])C(C)C ZINC000633224839 388419219 /nfs/dbraw/zinc/41/92/19/388419219.db2.gz JXEQUSFDCAXFFZ-UHFFFAOYSA-N -1 3 249.310 2.140 20 0 BEADHM CCC1(NC(=O)c2ccc(OC)cc2[O-])CC1 ZINC000296400829 388423272 /nfs/dbraw/zinc/42/32/72/388423272.db2.gz WQDSPLUSYQNGAC-UHFFFAOYSA-N -1 3 235.283 2.073 20 0 BEADHM Cc1ccc(/C=C\C(=O)[N-]OC(C)C)o1 ZINC000393489055 388431399 /nfs/dbraw/zinc/43/13/99/388431399.db2.gz GDIWDMYRZYCSIU-SREVYHEPSA-N -1 3 209.245 2.057 20 0 BEADHM CC[C@@H](CCO)NCc1cccc([O-])c1Cl ZINC000336889957 388432360 /nfs/dbraw/zinc/43/23/60/388432360.db2.gz GWYRQIATQMZXLB-JTQLQIEISA-N -1 3 243.734 2.296 20 0 BEADHM CCn1ccnc1C(=O)Nc1ccc([O-])cc1F ZINC000335058000 388541006 /nfs/dbraw/zinc/54/10/06/388541006.db2.gz OEZLVCIUOVVMEQ-UHFFFAOYSA-N -1 3 249.245 2.000 20 0 BEADHM CC1(CN2CCc3occc3[C@H]2C(=O)[O-])CCC1 ZINC000530164957 388618184 /nfs/dbraw/zinc/61/81/84/388618184.db2.gz CJVXFHJQAPFBLX-LBPRGKRZSA-N -1 3 249.310 2.454 20 0 BEADHM CCCCCN1CCc2occc2[C@H]1C(=O)[O-] ZINC000530165096 388618222 /nfs/dbraw/zinc/61/82/22/388618222.db2.gz DJVBSRGQMGFWKQ-LBPRGKRZSA-N -1 3 237.299 2.454 20 0 BEADHM C[C@H](c1cnccn1)[S@@](=O)c1ccc([O-])cc1 ZINC000184831206 388582675 /nfs/dbraw/zinc/58/26/75/388582675.db2.gz NZQBNXPMFWZSQC-VVVCHXIZSA-N -1 3 248.307 2.051 20 0 BEADHM CC[C@H]1CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000192630893 388680196 /nfs/dbraw/zinc/68/01/96/388680196.db2.gz NGGRIQQAARKHJW-JTQLQIEISA-N -1 3 249.310 2.360 20 0 BEADHM CC[C@@H]1CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000192630877 388680636 /nfs/dbraw/zinc/68/06/36/388680636.db2.gz NGGRIQQAARKHJW-SNVBAGLBSA-N -1 3 249.310 2.360 20 0 BEADHM O=C([O-])[C@@H]1c2ccoc2CCN1CCC1CC1 ZINC000530166889 388618760 /nfs/dbraw/zinc/61/87/60/388618760.db2.gz SNXBCXROHCFPJQ-LBPRGKRZSA-N -1 3 235.283 2.064 20 0 BEADHM C[C@@H]1C[C@@H]1c1ccc(CNCCCC(=O)[O-])o1 ZINC000037417554 388643529 /nfs/dbraw/zinc/64/35/29/388643529.db2.gz GTFLMHVEKONCGZ-KOLCDFICSA-N -1 3 237.299 2.357 20 0 BEADHM CC[C@H](C)[C@@H](C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000552999590 388744514 /nfs/dbraw/zinc/74/45/14/388744514.db2.gz OEOXBMOUKFECHF-WDEREUQCSA-N -1 3 245.326 2.377 20 0 BEADHM CCC[C@H](C)NC(=O)c1ccc(OC)cc1[O-] ZINC000019838064 388747652 /nfs/dbraw/zinc/74/76/52/388747652.db2.gz RBOZJQFILQPOLC-VIFPVBQESA-N -1 3 237.299 2.319 20 0 BEADHM CCC[C@@H](CC)NC(=O)c1ccc2n[n-]nc2c1 ZINC000195148914 388698512 /nfs/dbraw/zinc/69/85/12/388698512.db2.gz LCQXLVKZHOGAGA-SNVBAGLBSA-N -1 3 246.314 2.266 20 0 BEADHM C[C@@H]1COCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000195442477 388709069 /nfs/dbraw/zinc/70/90/69/388709069.db2.gz XKPXWELCFFGQLE-NXEZZACHSA-N -1 3 235.283 2.003 20 0 BEADHM Cc1cccc(C(=O)NC[C@H]2CC2(C)C)c1[O-] ZINC000226259957 388712254 /nfs/dbraw/zinc/71/22/54/388712254.db2.gz WGIVTUFBYGUILX-SNVBAGLBSA-N -1 3 233.311 2.477 20 0 BEADHM CC1(C)C[C@H]1CNC(=O)c1ccccc1[O-] ZINC000226260302 388713754 /nfs/dbraw/zinc/71/37/54/388713754.db2.gz BNMDKCVZRGXBHT-VIFPVBQESA-N -1 3 219.284 2.168 20 0 BEADHM COc1cccc(C(=O)NC[C@H]2CC2(C)C)c1[O-] ZINC000226260000 388713780 /nfs/dbraw/zinc/71/37/80/388713780.db2.gz LDOMLNZMHFXTPY-SECBINFHSA-N -1 3 249.310 2.177 20 0 BEADHM O=C(Nc1cccc([O-])c1F)c1ccncc1 ZINC000128456779 388761971 /nfs/dbraw/zinc/76/19/71/388761971.db2.gz CBTYRRPYKUEZPS-UHFFFAOYSA-N -1 3 232.214 2.179 20 0 BEADHM C[C@H](NC(=O)c1ccccc1[O-])C(F)(F)F ZINC000288651980 388831422 /nfs/dbraw/zinc/83/14/22/388831422.db2.gz RHGGZUVKVMCPAF-LURJTMIESA-N -1 3 233.189 2.073 20 0 BEADHM CCc1cccc(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC000555637576 388859139 /nfs/dbraw/zinc/85/91/39/388859139.db2.gz CLCCWKRMHPGSLI-PJXYFTJBSA-N -1 3 245.322 2.483 20 0 BEADHM CN(Cc1ccc(C(=O)[O-])cn1)[C@@H]1CC1(C)C ZINC000565107581 388915207 /nfs/dbraw/zinc/91/52/07/388915207.db2.gz QCTBNILDLYVLRQ-LLVKDONJSA-N -1 3 234.299 2.010 20 0 BEADHM COC1(C)CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000272980580 389038146 /nfs/dbraw/zinc/03/81/46/389038146.db2.gz LUTRCIYGGRLIDH-UHFFFAOYSA-N -1 3 249.310 2.033 20 0 BEADHM CSCCO[N-]C(=O)/C=C\c1ccc(C)o1 ZINC000493729348 533583209 /nfs/dbraw/zinc/58/32/09/533583209.db2.gz UFQHJJXVRGYVBP-WAYWQWQTSA-N -1 3 241.312 2.012 20 0 BEADHM Cc1ccc([O-])c(CN2CC[C@@](C)(F)C2)n1 ZINC000335947642 134021078 /nfs/dbraw/zinc/02/10/78/134021078.db2.gz NLRVPVXKCZFFRI-GFCCVEGCSA-N -1 3 224.279 2.030 20 0 BEADHM O=C([N-]c1cnns1)N1CCc2ccccc21 ZINC000336108014 134085407 /nfs/dbraw/zinc/08/54/07/134085407.db2.gz HNTWBQTZJPLFHW-UHFFFAOYSA-N -1 3 246.295 2.133 20 0 BEADHM Cc1cc(C(=O)N2[C@@H](C)C[C@@H]2C)ccc1[O-] ZINC000336157712 134106529 /nfs/dbraw/zinc/10/65/29/134106529.db2.gz ZRNCBDFYEBRWDG-UWVGGRQHSA-N -1 3 219.284 2.324 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2[C@H](C)C[C@H]2C)c1 ZINC000336158148 134106798 /nfs/dbraw/zinc/10/67/98/134106798.db2.gz YUZXDHAWOTZSTG-NXEZZACHSA-N -1 3 219.284 2.324 20 0 BEADHM COc1cccc(C(=O)N2[C@H](C)C[C@H]2C)c1[O-] ZINC000336157956 134106840 /nfs/dbraw/zinc/10/68/40/134106840.db2.gz PFVPVXXSFFMEEZ-RKDXNWHRSA-N -1 3 235.283 2.024 20 0 BEADHM CC(=O)c1[n-]c(=N[C@@H]2CC[C@@H](F)C2)sc1C ZINC000336194306 134125476 /nfs/dbraw/zinc/12/54/76/134125476.db2.gz FLCJSONEXOEFDA-RKDXNWHRSA-N -1 3 242.319 2.379 20 0 BEADHM Cc1cc(C(=O)NCc2ccncc2)ccc1[O-] ZINC000226714194 134370735 /nfs/dbraw/zinc/37/07/35/134370735.db2.gz UNQHHVOWWCJIMM-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM Cc1cc(C(=O)NC[C@@H]2CC2(C)C)ccc1[O-] ZINC000227028719 134373619 /nfs/dbraw/zinc/37/36/19/134373619.db2.gz SCDVJEYMCREIMI-NSHDSACASA-N -1 3 233.311 2.477 20 0 BEADHM C[C@H](C(=O)[O-])N1CCC[C@H]1c1ccsc1 ZINC000261531906 135162143 /nfs/dbraw/zinc/16/21/43/135162143.db2.gz IHYYRFJOAMMDOR-SCZZXKLOSA-N -1 3 225.313 2.358 20 0 BEADHM O=C([O-])CCCN1CCc2cc(F)ccc2C1 ZINC000262136989 135281610 /nfs/dbraw/zinc/28/16/10/135281610.db2.gz OKHJDFCBMLJLKI-UHFFFAOYSA-N -1 3 237.274 2.049 20 0 BEADHM CCc1ccc(CNCCC(C)(C)C(=O)[O-])o1 ZINC000263079052 135331125 /nfs/dbraw/zinc/33/11/25/135331125.db2.gz REQIPLWWVNGSGQ-UHFFFAOYSA-N -1 3 239.315 2.433 20 0 BEADHM CCCC1(C(=O)N=c2[nH][n-]c(CC)c2C)CC1 ZINC000343006840 135344332 /nfs/dbraw/zinc/34/43/32/135344332.db2.gz GKYNWJOQSWFELH-UHFFFAOYSA-N -1 3 235.331 2.221 20 0 BEADHM Cc1cc([N-]S(=O)(=O)c2ccccc2)ccn1 ZINC000074932113 135390275 /nfs/dbraw/zinc/39/02/75/135390275.db2.gz ADFXGGCVSOIKFG-UHFFFAOYSA-N -1 3 248.307 2.191 20 0 BEADHM CCC1CN(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000086682753 135494195 /nfs/dbraw/zinc/49/41/95/135494195.db2.gz BPMYUECWZWFAHM-UHFFFAOYSA-N -1 3 219.284 2.227 20 0 BEADHM Cc1ccncc1C(=O)Nc1cc(F)ccc1[O-] ZINC000334638134 135802640 /nfs/dbraw/zinc/80/26/40/135802640.db2.gz ADNACBPXJNPQNC-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Cc1ccc(CNCc2ncccc2[O-])cc1 ZINC000347947769 136020086 /nfs/dbraw/zinc/02/00/86/136020086.db2.gz FOPOBTBQUCVRTK-UHFFFAOYSA-N -1 3 228.295 2.385 20 0 BEADHM CCCC[C@H](COC)NCc1ncccc1[O-] ZINC000348042350 136029133 /nfs/dbraw/zinc/02/91/33/136029133.db2.gz NAVQHTIQTFBHQO-LLVKDONJSA-N -1 3 238.331 2.082 20 0 BEADHM [O-]c1cc(F)cc(CN[C@@H]2C[C@H]2C(F)F)c1 ZINC000348214454 136046240 /nfs/dbraw/zinc/04/62/40/136046240.db2.gz COKIJEITILRZPK-NXEZZACHSA-N -1 3 231.217 2.275 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@@H]1C(F)F ZINC000335355157 136070798 /nfs/dbraw/zinc/07/07/98/136070798.db2.gz GWQVKTPZEUEXAG-BQBZGAKWSA-N -1 3 245.200 2.371 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)C2CC3(CCC3)C2)c1C ZINC000335546978 136097028 /nfs/dbraw/zinc/09/70/28/136097028.db2.gz ASJPEXQZLSIISS-UHFFFAOYSA-N -1 3 247.342 2.221 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC12CC2 ZINC000335562172 136106267 /nfs/dbraw/zinc/10/62/67/136106267.db2.gz YXMRDGJEGDLOHN-VIFPVBQESA-N -1 3 217.268 2.439 20 0 BEADHM COc1ccc(C(=O)N(C)CC2CCC2)c([O-])c1 ZINC000061482122 322858876 /nfs/dbraw/zinc/85/88/76/322858876.db2.gz DQGJKEWOLVNQIC-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM O=C(c1cccc([O-])c1)N1CCC2(CCC2)C1 ZINC000182601897 397826291 /nfs/dbraw/zinc/82/62/91/397826291.db2.gz KOGCEZQMNOACFT-UHFFFAOYSA-N -1 3 231.295 2.408 20 0 BEADHM Cc1ccc(C(=O)N[C@H](C)C(C)(F)F)c([O-])c1 ZINC000389523739 397961320 /nfs/dbraw/zinc/96/13/20/397961320.db2.gz JDZQBIJFTGGCPT-MRVPVSSYSA-N -1 3 243.253 2.474 20 0 BEADHM CSc1nnc(NC(=O)[C@@H](C)CC(C)C)[n-]1 ZINC000274220706 398004879 /nfs/dbraw/zinc/00/48/79/398004879.db2.gz JLBJHWSTFKGFTM-ZETCQYMHSA-N -1 3 242.348 2.147 20 0 BEADHM CSc1n[n-]c(NC(=O)[C@@H](C)CC(C)C)n1 ZINC000274220706 398004882 /nfs/dbraw/zinc/00/48/82/398004882.db2.gz JLBJHWSTFKGFTM-ZETCQYMHSA-N -1 3 242.348 2.147 20 0 BEADHM CSc1nc(NC(=O)[C@@H](C)CC(C)C)n[n-]1 ZINC000274220706 398004884 /nfs/dbraw/zinc/00/48/84/398004884.db2.gz JLBJHWSTFKGFTM-ZETCQYMHSA-N -1 3 242.348 2.147 20 0 BEADHM C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccccc1[O-] ZINC000157826558 398014347 /nfs/dbraw/zinc/01/43/47/398014347.db2.gz KMXAKNFHRUDCKC-QWRGUYRKSA-N -1 3 248.326 2.204 20 0 BEADHM Cc1cnccc1CC(=O)Nc1ccccc1[O-] ZINC000188246847 398042971 /nfs/dbraw/zinc/04/29/71/398042971.db2.gz AHRONTLYVQFSNP-UHFFFAOYSA-N -1 3 242.278 2.277 20 0 BEADHM COc1cc(C(=O)N2CCCC2(C)C)ccc1[O-] ZINC000272628806 397981493 /nfs/dbraw/zinc/98/14/93/397981493.db2.gz UESOSENBMHGMEP-UHFFFAOYSA-N -1 3 249.310 2.415 20 0 BEADHM Cc1ccc(F)c(CN(C)[C@H](C)CC(=O)[O-])c1 ZINC000516585202 398080335 /nfs/dbraw/zinc/08/03/35/398080335.db2.gz KRYHRPCVGRJGEX-SNVBAGLBSA-N -1 3 239.290 2.429 20 0 BEADHM C[C@H]1COCCN1Cc1cc([O-])ccc1Cl ZINC000625449475 398083151 /nfs/dbraw/zinc/08/31/51/398083151.db2.gz BJSOQSPYOQUKHN-VIFPVBQESA-N -1 3 241.718 2.266 20 0 BEADHM O=C(C1CSC1)N1CCCc2cccc([O-])c21 ZINC000632225758 398106560 /nfs/dbraw/zinc/10/65/60/398106560.db2.gz XHBDSIIPZCFASR-UHFFFAOYSA-N -1 3 249.335 2.034 20 0 BEADHM C[C@@]1(O)CCN(Cc2cccc([O-])c2Cl)C1 ZINC000294333521 398125585 /nfs/dbraw/zinc/12/55/85/398125585.db2.gz RUCIVRGJRFZMIZ-GFCCVEGCSA-N -1 3 241.718 2.002 20 0 BEADHM CC1(C)CCCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762844 487559766 /nfs/dbraw/zinc/55/97/66/487559766.db2.gz RSMTXRMZJNXDCB-UHFFFAOYSA-N -1 3 248.326 2.402 20 0 BEADHM CC(C)OCCC(=O)Nc1cc(F)ccc1[O-] ZINC000174870239 167202606 /nfs/dbraw/zinc/20/26/06/167202606.db2.gz GTNSFPSLOGYKSP-UHFFFAOYSA-N -1 3 241.262 2.285 20 0 BEADHM Cc1cccc([O-])c1C(=O)Nc1cncnc1C ZINC001651255661 1172934638 /nfs/dbraw/zinc/93/46/38/1172934638.db2.gz UDLSDZVRAFHYIO-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM CCCN(C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000036812843 487590414 /nfs/dbraw/zinc/59/04/14/487590414.db2.gz RZGRWRGTKYHHQW-UHFFFAOYSA-N -1 3 211.261 2.128 20 0 BEADHM CC(C)O[N-]C(=O)CCc1cc(F)ccc1F ZINC000295503812 167274250 /nfs/dbraw/zinc/27/42/50/167274250.db2.gz GVLPXTITCQZCED-UHFFFAOYSA-N -1 3 243.253 2.354 20 0 BEADHM CC(C)ON=C([O-])Nc1cc(F)ccc1F ZINC000296360136 167277574 /nfs/dbraw/zinc/27/75/74/167277574.db2.gz QPHAEQJTQQMMBG-UHFFFAOYSA-N -1 3 230.214 2.426 20 0 BEADHM CC(C)O[N-]C(=O)Nc1cc(F)ccc1F ZINC000296360136 167277578 /nfs/dbraw/zinc/27/75/78/167277578.db2.gz QPHAEQJTQQMMBG-UHFFFAOYSA-N -1 3 230.214 2.426 20 0 BEADHM CN(CCCC1CCCC1)Cc1n[n-]c(=O)o1 ZINC000660848918 409860323 /nfs/dbraw/zinc/86/03/23/409860323.db2.gz RTYMMKNWMLFDSV-UHFFFAOYSA-N -1 3 239.319 2.177 20 0 BEADHM [O-]c1coc2cc(OCc3ccccn3)ccc12 ZINC000057523939 410179542 /nfs/dbraw/zinc/17/95/42/410179542.db2.gz GSBWRCQFKJGSJV-UHFFFAOYSA-N -1 3 241.246 2.236 20 0 BEADHM CC(C)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000037182879 167130090 /nfs/dbraw/zinc/13/00/90/167130090.db2.gz VJKUREUYIQXXRU-SNVBAGLBSA-N -1 3 229.226 2.089 20 0 BEADHM CC(C)N[C@@H](C(=O)[O-])c1ccccc1Cl ZINC000037183235 167130796 /nfs/dbraw/zinc/13/07/96/167130796.db2.gz KYAKGNXDNWAYOL-SNVBAGLBSA-N -1 3 227.691 2.464 20 0 BEADHM CC(C)N[C@H](C(=O)[O-])c1ccccc1Cl ZINC000037183234 167136432 /nfs/dbraw/zinc/13/64/32/167136432.db2.gz KYAKGNXDNWAYOL-JTQLQIEISA-N -1 3 227.691 2.464 20 0 BEADHM CC(C)ON=C([O-])Nc1ccc2c(n1)CCC2 ZINC000296801046 167277310 /nfs/dbraw/zinc/27/73/10/167277310.db2.gz MZMYJTCJJBUSBB-UHFFFAOYSA-N -1 3 235.287 2.032 20 0 BEADHM CC(C)O[N-]C(=O)Nc1ccc2c(n1)CCC2 ZINC000296801046 167277312 /nfs/dbraw/zinc/27/73/12/167277312.db2.gz MZMYJTCJJBUSBB-UHFFFAOYSA-N -1 3 235.287 2.032 20 0 BEADHM C[C@@H](CNCc1c(F)cccc1Cl)C(=O)[O-] ZINC000656094998 411176443 /nfs/dbraw/zinc/17/64/43/411176443.db2.gz FJTFQEWLHVERAB-ZETCQYMHSA-N -1 3 245.681 2.289 20 0 BEADHM CCN(Cc1cc(C(=O)[O-])co1)C(C)C ZINC000051330321 411270666 /nfs/dbraw/zinc/27/06/66/411270666.db2.gz WHJATUVBIGJWBJ-UHFFFAOYSA-N -1 3 211.261 2.208 20 0 BEADHM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccccc1[O-] ZINC000403611532 411352062 /nfs/dbraw/zinc/35/20/62/411352062.db2.gz IVHNOKKZSZHRLC-GMTAPVOTSA-N -1 3 231.295 2.311 20 0 BEADHM Cc1ccc2c(c1)CN(CC1(C(=O)[O-])CC1)CC2 ZINC000656758962 411353934 /nfs/dbraw/zinc/35/39/34/411353934.db2.gz RBEOHSUYMKXCQT-UHFFFAOYSA-N -1 3 245.322 2.218 20 0 BEADHM CC[C@H]1CN(C(=O)c2ccccc2[O-])[C@@H](C)CO1 ZINC000403839593 411361215 /nfs/dbraw/zinc/36/12/15/411361215.db2.gz COUIBRCTNMFRIU-QWRGUYRKSA-N -1 3 249.310 2.032 20 0 BEADHM CC[C@@H]1CN(C(=O)c2cccc([O-])c2)[C@H](C)CO1 ZINC000403898121 411365275 /nfs/dbraw/zinc/36/52/75/411365275.db2.gz UKIWXUZTFIQENT-ZWNOBZJWSA-N -1 3 249.310 2.032 20 0 BEADHM CC1(CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000280546029 168020761 /nfs/dbraw/zinc/02/07/61/168020761.db2.gz SVTWAXQDACGOKV-UHFFFAOYSA-N -1 3 245.369 2.217 20 0 BEADHM CC1=CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000230812941 168098643 /nfs/dbraw/zinc/09/86/43/168098643.db2.gz MBVZUSMNWWZDPZ-UHFFFAOYSA-N -1 3 217.268 2.184 20 0 BEADHM Cc1[n-]n([C@H](C)C2CC2)c(=O)c1C(C)C ZINC000104094641 168133528 /nfs/dbraw/zinc/13/35/28/168133528.db2.gz ADTRQLNHDWDWCR-MWLCHTKSSA-N -1 3 208.305 2.275 20 0 BEADHM CCC(C)(C)C(=O)Nc1ncccc1[O-] ZINC000180996175 168270475 /nfs/dbraw/zinc/27/04/75/168270475.db2.gz HBKPANNTMZCIMH-UHFFFAOYSA-N -1 3 208.261 2.162 20 0 BEADHM O=C([O-])c1sccc1CN1CC[C@H]2C[C@H]2C1 ZINC000659800594 411457736 /nfs/dbraw/zinc/45/77/36/411457736.db2.gz WDHLFAGKGAVIAR-WPRPVWTQSA-N -1 3 237.324 2.288 20 0 BEADHM CCn1c(=O)[n-]nc1SCC1CC=CC1 ZINC000657235167 411423616 /nfs/dbraw/zinc/42/36/16/411423616.db2.gz YZTXBXDEZVMCGT-UHFFFAOYSA-N -1 3 225.317 2.062 20 0 BEADHM O=C([O-])c1cnccc1N1CC[C@@H](C2CC2)C1 ZINC000400049137 411442398 /nfs/dbraw/zinc/44/23/98/411442398.db2.gz VOPPRRJUOOWUSY-SNVBAGLBSA-N -1 3 232.283 2.016 20 0 BEADHM C[C@]1(F)CCCN(C(=O)c2ccccc2[O-])C1 ZINC000295689462 411479102 /nfs/dbraw/zinc/47/91/02/411479102.db2.gz ZJKIVQXJZZPOAU-ZDUSSCGKSA-N -1 3 237.274 2.356 20 0 BEADHM CCNCc1cccc([O-])c1Br ZINC000306266852 170128210 /nfs/dbraw/zinc/12/82/10/170128210.db2.gz GNGGMNYLGJZXEE-UHFFFAOYSA-N -1 3 230.105 2.264 20 0 BEADHM CCOCCCN=c1[n-]c(C(F)F)cs1 ZINC000336764164 170376022 /nfs/dbraw/zinc/37/60/22/170376022.db2.gz PRSXSGAZGNVISK-UHFFFAOYSA-N -1 3 236.287 2.341 20 0 BEADHM Cc1cc(CN2CC3CC2(C)C3)oc1C(=O)[O-] ZINC000663316202 411623153 /nfs/dbraw/zinc/62/31/53/411623153.db2.gz UHGSTOHJQZMHSY-UHFFFAOYSA-N -1 3 235.283 2.271 20 0 BEADHM Cc1cc(=O)[n-]c(C(C)(C)NCC2=CCCC2)n1 ZINC000660749129 411620570 /nfs/dbraw/zinc/62/05/70/411620570.db2.gz FTOHOLVWFSAFIO-UHFFFAOYSA-N -1 3 247.342 2.426 20 0 BEADHM Cc1cc(=O)[n-]c(C(C)(C)N[C@H]2C=CCCC2)n1 ZINC000660745682 411620616 /nfs/dbraw/zinc/62/06/16/411620616.db2.gz FVIXVANLRRUDFK-NSHDSACASA-N -1 3 247.342 2.424 20 0 BEADHM CCO[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000042327329 170505020 /nfs/dbraw/zinc/50/50/20/170505020.db2.gz FQPRJJZIVQJVSP-NSHDSACASA-N -1 3 249.310 2.033 20 0 BEADHM Cn1c(=O)[n-]nc1SC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000663948886 411788505 /nfs/dbraw/zinc/78/85/05/411788505.db2.gz IYSWRQFEOGMETE-HLTSFMKQSA-N -1 3 239.344 2.049 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccccc1F ZINC000292100071 170710953 /nfs/dbraw/zinc/71/09/53/170710953.db2.gz GIPSNPZJLUFMLK-SNVBAGLBSA-N -1 3 239.290 2.462 20 0 BEADHM CC1(C)CC[C@H]1c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000664912321 412044075 /nfs/dbraw/zinc/04/40/75/412044075.db2.gz XQDAMSUDLNCOQW-ZETCQYMHSA-N -1 3 246.270 2.136 20 0 BEADHM CC[C@@H]1CC[C@@H](C(=O)Nc2ccccc2[O-])O1 ZINC000268228893 171032491 /nfs/dbraw/zinc/03/24/91/171032491.db2.gz KRPDZBVPLKLJQZ-SKDRFNHKSA-N -1 3 235.283 2.288 20 0 BEADHM CC[C@@H]1CN(C(=O)c2cccc([O-])c2)C[C@H](C)O1 ZINC000182423690 171071392 /nfs/dbraw/zinc/07/13/92/171071392.db2.gz NIXMIKWAXJICHK-GXFFZTMASA-N -1 3 249.310 2.032 20 0 BEADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000187406113 171159468 /nfs/dbraw/zinc/15/94/68/171159468.db2.gz GJUOZWPIFUGYJE-BXKDBHETSA-N -1 3 249.310 2.358 20 0 BEADHM CC[C@H](C)CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000191157752 171264216 /nfs/dbraw/zinc/26/42/16/171264216.db2.gz KZGPGOKTROTNNC-QMMMGPOBSA-N -1 3 248.286 2.439 20 0 BEADHM CC[C@H](C)CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000191157752 171264217 /nfs/dbraw/zinc/26/42/17/171264217.db2.gz KZGPGOKTROTNNC-QMMMGPOBSA-N -1 3 248.286 2.439 20 0 BEADHM CC[C@H](C)CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000191157752 171264218 /nfs/dbraw/zinc/26/42/18/171264218.db2.gz KZGPGOKTROTNNC-QMMMGPOBSA-N -1 3 248.286 2.439 20 0 BEADHM CC[C@H](C)CCC(=O)NCc1ncccc1[O-] ZINC000355440690 171267766 /nfs/dbraw/zinc/26/77/66/171267766.db2.gz GKYGGYFONXSCTJ-JTQLQIEISA-N -1 3 236.315 2.230 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)Nc1ccncc1 ZINC000291926570 171290545 /nfs/dbraw/zinc/29/05/45/171290545.db2.gz SGOCOIJGTCDWNJ-VIFPVBQESA-N -1 3 223.276 2.181 20 0 BEADHM CC[C@H](C)N(C)C(=O)c1ccc(OC)cc1[O-] ZINC000037023554 171304341 /nfs/dbraw/zinc/30/43/41/171304341.db2.gz IDEGZRCTVQILJB-VIFPVBQESA-N -1 3 237.299 2.271 20 0 BEADHM CC[C@H](C)N(C)C(=O)c1cccc(OC)c1[O-] ZINC000037023542 171304708 /nfs/dbraw/zinc/30/47/08/171304708.db2.gz ZTFBJJGFHOIAIL-VIFPVBQESA-N -1 3 237.299 2.271 20 0 BEADHM Cc1ccc(NC(=O)CCOC(C)C)c([O-])c1 ZINC000073688298 412121437 /nfs/dbraw/zinc/12/14/37/412121437.db2.gz SEJMEBVTRCXRQG-UHFFFAOYSA-N -1 3 237.299 2.454 20 0 BEADHM CO[C@@H](C(=O)Nc1ccc(C)cc1[O-])C1CCC1 ZINC000665203956 412135811 /nfs/dbraw/zinc/13/58/11/412135811.db2.gz VESOTRCRSQZGAW-CYBMUJFWSA-N -1 3 249.310 2.454 20 0 BEADHM CCn1c(S[C@H](C)C(C)C)n[n-]c1=O ZINC000339119384 172146612 /nfs/dbraw/zinc/14/66/12/172146612.db2.gz QPDOZFYEEKKXTB-SSDOTTSWSA-N -1 3 215.322 2.140 20 0 BEADHM CCn1cc(CNCc2cc([O-])cc(F)c2)cn1 ZINC000274399229 172172183 /nfs/dbraw/zinc/17/21/83/172172183.db2.gz FGTMDNKWKMILPM-UHFFFAOYSA-N -1 3 249.289 2.038 20 0 BEADHM COC1([C@@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC000332437504 174009985 /nfs/dbraw/zinc/00/99/85/174009985.db2.gz CUKIFPUWJAICLP-SNVBAGLBSA-N -1 3 249.310 2.080 20 0 BEADHM COCCCO[N-]C(=O)Nc1cscc1C ZINC000287073045 174256134 /nfs/dbraw/zinc/25/61/34/174256134.db2.gz LGIDXOURDCTAJM-UHFFFAOYSA-N -1 3 244.316 2.146 20 0 BEADHM CO[N-]C(=O)C1(Cc2ccccc2)CCC1 ZINC000132747958 174662394 /nfs/dbraw/zinc/66/23/94/174662394.db2.gz JPFBLYMUKALYHR-UHFFFAOYSA-N -1 3 219.284 2.077 20 0 BEADHM COc1cc(Cl)ccc1C[N-]C(=O)C(F)F ZINC000279079185 174991181 /nfs/dbraw/zinc/99/11/81/174991181.db2.gz RTERTEOXCDZPOA-UHFFFAOYSA-N -1 3 249.644 2.230 20 0 BEADHM COc1ccc(C(=O)N2CC[C@H](C)[C@H]2C)c([O-])c1 ZINC000177021541 175056639 /nfs/dbraw/zinc/05/66/39/175056639.db2.gz SCNIESYIKZRMEI-VHSXEESVSA-N -1 3 249.310 2.271 20 0 BEADHM COc1ccc(C(=O)N2C[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC000075412183 175057923 /nfs/dbraw/zinc/05/79/23/175057923.db2.gz LFQZUQVTKMMKJP-UWVGGRQHSA-N -1 3 249.310 2.129 20 0 BEADHM COc1ccc(C(=O)NCC(C)(C)C)c([O-])c1 ZINC000040494915 175059427 /nfs/dbraw/zinc/05/94/27/175059427.db2.gz XAOIIHKUNNAZLM-UHFFFAOYSA-N -1 3 237.299 2.177 20 0 BEADHM COc1ccc(C(=O)N[C@@H](C)C(C)C)c([O-])c1 ZINC000020304741 175062166 /nfs/dbraw/zinc/06/21/66/175062166.db2.gz GWASYRZUIFWJJV-VIFPVBQESA-N -1 3 237.299 2.175 20 0 BEADHM COc1ccc(NC(=O)[C@@]2(C)C[C@H]2F)c([O-])c1 ZINC000335150712 175146802 /nfs/dbraw/zinc/14/68/02/175146802.db2.gz FWEJHBDIWFBZAY-PWSUYJOCSA-N -1 3 239.246 2.087 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@H](C)C(C)C)c1 ZINC000051770390 175157187 /nfs/dbraw/zinc/15/71/87/175157187.db2.gz CYQSRQAKEDIDLZ-SECBINFHSA-N -1 3 237.299 2.175 20 0 BEADHM COc1ccc([O-])c(C(=O)NCC(C)(C)C)c1 ZINC000042295605 175157562 /nfs/dbraw/zinc/15/75/62/175157562.db2.gz DGWZLLVKBOQZJV-UHFFFAOYSA-N -1 3 237.299 2.177 20 0 BEADHM COc1ccc([O-])c(C(=O)NCC2CCCC2)c1 ZINC000047846436 175158060 /nfs/dbraw/zinc/15/80/60/175158060.db2.gz GTAHKXVMNDNORQ-UHFFFAOYSA-N -1 3 249.310 2.321 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H]2C)c1 ZINC000071209729 175158257 /nfs/dbraw/zinc/15/82/57/175158257.db2.gz MSTIHXZJONZYPZ-SKDRFNHKSA-N -1 3 249.310 2.319 20 0 BEADHM COc1cccc(C(=O)N(C)C(C)(C)C)c1[O-] ZINC000334799709 175241972 /nfs/dbraw/zinc/24/19/72/175241972.db2.gz NYZIJSCSSZPDJL-UHFFFAOYSA-N -1 3 237.299 2.271 20 0 BEADHM COc1cccc(C(=O)N2CCC=C(C)C2)c1[O-] ZINC000230812779 175243189 /nfs/dbraw/zinc/24/31/89/175243189.db2.gz KKMBHFOPOPRXEU-UHFFFAOYSA-N -1 3 247.294 2.193 20 0 BEADHM COc1cccc(C(=O)N2CCC(C)(C)C2)c1[O-] ZINC000091438894 175243954 /nfs/dbraw/zinc/24/39/54/175243954.db2.gz ITGXYLLFOORDIO-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM COc1cccc(C(=O)Nc2ccncc2)c1[O-] ZINC000019837700 175246060 /nfs/dbraw/zinc/24/60/60/175246060.db2.gz BOVQIFICARPECS-UHFFFAOYSA-N -1 3 244.250 2.048 20 0 BEADHM COc1cccc(CCC(=O)[N-]OC(C)C)c1 ZINC000293867021 175251015 /nfs/dbraw/zinc/25/10/15/175251015.db2.gz DSAWVZOVSXHAPA-UHFFFAOYSA-N -1 3 237.299 2.084 20 0 BEADHM C[C@@H](NC(=O)c1cccc([O-])c1)[C@@H]1CCCCO1 ZINC000273048023 175849684 /nfs/dbraw/zinc/84/96/84/175849684.db2.gz WCZPFZQCPYHTHD-MFKMUULPSA-N -1 3 249.310 2.080 20 0 BEADHM C[C@@H](c1ccc(F)cc1F)N(C)CC(=O)[O-] ZINC000082717783 176016244 /nfs/dbraw/zinc/01/62/44/176016244.db2.gz GWHHQNPPELURBQ-ZETCQYMHSA-N -1 3 229.226 2.042 20 0 BEADHM C[C@@H](c1ccccc1Cl)N(C)CC(=O)[O-] ZINC000062015175 176023663 /nfs/dbraw/zinc/02/36/63/176023663.db2.gz CZIMHWTUXGOSQR-QMMMGPOBSA-N -1 3 227.691 2.417 20 0 BEADHM C[C@@H]1CCCCN1Cc1cc(C(=O)[O-])co1 ZINC000051330192 176074058 /nfs/dbraw/zinc/07/40/58/176074058.db2.gz HKVYMGCPAGNYTB-SECBINFHSA-N -1 3 223.272 2.352 20 0 BEADHM C[C@@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000336220812 176104933 /nfs/dbraw/zinc/10/49/33/176104933.db2.gz JZQJDDKYJCIUHA-SECBINFHSA-N -1 3 237.274 2.085 20 0 BEADHM C[C@@H]1CN(Cc2cc([O-])cc(F)c2)[C@H](C)CO1 ZINC000184148051 176300940 /nfs/dbraw/zinc/30/09/40/176300940.db2.gz NHJXGDTVTDTMBL-NXEZZACHSA-N -1 3 239.290 2.141 20 0 BEADHM C[C@H]1CC(C(=O)Nc2ccncc2[O-])C[C@H](C)C1 ZINC000356556749 177063404 /nfs/dbraw/zinc/06/34/04/177063404.db2.gz YNJGKMKBLKQWOK-NXEZZACHSA-N -1 3 248.326 2.220 20 0 BEADHM C[C@H]1CC(NC(=O)c2ccccc2[O-])C[C@H](C)O1 ZINC000120442451 177065682 /nfs/dbraw/zinc/06/56/82/177065682.db2.gz ZUFBEQYGURWIEZ-UWVGGRQHSA-N -1 3 249.310 2.078 20 0 BEADHM C[C@H]1CCCN(C(=O)c2ccc(O)cc2[O-])[C@H]1C ZINC000172657029 177095335 /nfs/dbraw/zinc/09/53/35/177095335.db2.gz ZKQJYWGEHQMTCW-UWVGGRQHSA-N -1 3 249.310 2.358 20 0 BEADHM C[C@H]1CCC[C@H]1CC(=O)[N-]OCc1cccnc1 ZINC000184775373 177139982 /nfs/dbraw/zinc/13/99/82/177139982.db2.gz HDWZYYMBUYPMOO-AAEUAGOBSA-N -1 3 248.326 2.456 20 0 BEADHM C[C@H]1CN(C(=O)c2ccccc2[O-])CC(C)(C)O1 ZINC000044479274 177228016 /nfs/dbraw/zinc/22/80/16/177228016.db2.gz PCBQUSWVVPBYKN-JTQLQIEISA-N -1 3 249.310 2.032 20 0 BEADHM C[C@@H]1CN(Cc2cc([O-])cc(F)c2)C[C@H](C)O1 ZINC000157561286 177260939 /nfs/dbraw/zinc/26/09/39/177260939.db2.gz AQGHBPSSQFBACY-AOOOYVTPSA-N -1 3 239.290 2.141 20 0 BEADHM C[C@H]1Cc2ccccc2N1C([O-])=NOCC1CC1 ZINC000297545400 177389424 /nfs/dbraw/zinc/38/94/24/177389424.db2.gz ZEBQDVZAMOVGHU-JTQLQIEISA-N -1 3 246.310 2.489 20 0 BEADHM C[C@H]1Cc2ccccc2N1C(=O)[N-]OCC1CC1 ZINC000297545400 177389425 /nfs/dbraw/zinc/38/94/25/177389425.db2.gz ZEBQDVZAMOVGHU-JTQLQIEISA-N -1 3 246.310 2.489 20 0 BEADHM CCOCCCOc1ccc2c([O-])coc2c1 ZINC000087325352 487640708 /nfs/dbraw/zinc/64/07/08/487640708.db2.gz AYQBAPPBHYPGCJ-UHFFFAOYSA-N -1 3 236.267 2.067 20 0 BEADHM O=C(/C=C/c1cccnc1)[N-]OC1CCCCC1 ZINC000492715624 226041148 /nfs/dbraw/zinc/04/11/48/226041148.db2.gz CHARJXZAHDJVHC-CMDGGOBGSA-N -1 3 246.310 2.475 20 0 BEADHM Cc1ccncc1/C=C/C(=O)[N-]OCCC1CC1 ZINC000492802838 226055541 /nfs/dbraw/zinc/05/55/41/226055541.db2.gz FJGMMVMRUJNLGU-SNAWJCMRSA-N -1 3 246.310 2.251 20 0 BEADHM Cc1ccc(NC(=O)C=Cc2c[nH]cn2)c([O-])c1 ZINC000492857290 226069345 /nfs/dbraw/zinc/06/93/45/226069345.db2.gz DEKUEQZCUDUIBP-HWKANZROSA-N -1 3 243.266 2.076 20 0 BEADHM O=C(/C=C/C1CCCC1)[N-]O[C@H]1CCCCO1 ZINC000493152472 226140907 /nfs/dbraw/zinc/14/09/07/226140907.db2.gz AXNTWUGZIJSRPO-XEHSLEBBSA-N -1 3 239.315 2.307 20 0 BEADHM Cc1ccncc1/C=C\C(=O)[N-]OC1CCC1 ZINC000493486263 226229619 /nfs/dbraw/zinc/22/96/19/226229619.db2.gz MVOJXCTWFOWVPF-WAYWQWQTSA-N -1 3 232.283 2.004 20 0 BEADHM O=C(/C=C/C1CCCC1)Nc1ncccc1[O-] ZINC000493597419 226245434 /nfs/dbraw/zinc/24/54/34/226245434.db2.gz MOPMPQSAJCXRLL-BQYQJAHWSA-N -1 3 232.283 2.472 20 0 BEADHM O=C(/C=C\c1cccc(F)c1)[N-]OC1CCC1 ZINC000493726911 226251233 /nfs/dbraw/zinc/25/12/33/226251233.db2.gz PMBPWOMJPRCEAM-FPLPWBNLSA-N -1 3 235.258 2.439 20 0 BEADHM Cc1ccc(/C=C\C(=O)[N-]OCCC2CC2)o1 ZINC000493787203 226254128 /nfs/dbraw/zinc/25/41/28/226254128.db2.gz KRNPPPSZVBVKBV-SREVYHEPSA-N -1 3 235.283 2.449 20 0 BEADHM CO[N-]C(=O)/C=C\c1cc2ccccc2o1 ZINC000255616192 322935682 /nfs/dbraw/zinc/93/56/82/322935682.db2.gz UVNFJYLZXYTHSZ-SREVYHEPSA-N -1 3 217.224 2.124 20 0 BEADHM CCCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612150 487670477 /nfs/dbraw/zinc/67/04/77/487670477.db2.gz PQIAXELTRBSSLR-CYBMUJFWSA-N -1 3 233.311 2.471 20 0 BEADHM Cc1cncc(CN2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000228612577 487689367 /nfs/dbraw/zinc/68/93/67/487689367.db2.gz IUEQSWONZVPGBU-CYBMUJFWSA-N -1 3 248.326 2.219 20 0 BEADHM Cc1cncc(CN2CCC(CC(=O)[O-])CC2)c1 ZINC000228615111 487690837 /nfs/dbraw/zinc/69/08/37/487690837.db2.gz ZQWQDICRMUIHIB-UHFFFAOYSA-N -1 3 248.326 2.077 20 0 BEADHM CN(CC(C)(C)C)c1ccncc1C(=O)[O-] ZINC000088109830 487703009 /nfs/dbraw/zinc/70/30/09/487703009.db2.gz YAXHTYAXTWUDJY-UHFFFAOYSA-N -1 3 222.288 2.262 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(Cl)nc1C ZINC000194709719 487761684 /nfs/dbraw/zinc/76/16/84/487761684.db2.gz RADZSAHSJNCEAJ-UHFFFAOYSA-N -1 3 229.667 2.116 20 0 BEADHM CCc1cc(C(=O)N2C[C@@H](C)[C@@H]2C)ccc1[O-] ZINC000293942278 487771117 /nfs/dbraw/zinc/77/11/17/487771117.db2.gz FGYVSOVDWVYKNF-ZJUUUORDSA-N -1 3 233.311 2.435 20 0 BEADHM [O-]c1coc2cc(OCCCCF)ccc12 ZINC000309242756 487806044 /nfs/dbraw/zinc/80/60/44/487806044.db2.gz XJOGSZPKGNKINZ-UHFFFAOYSA-N -1 3 224.231 2.390 20 0 BEADHM CSc1ccc([O-])c(C(=O)NCC2CC2)c1 ZINC000665884875 487812662 /nfs/dbraw/zinc/81/26/62/487812662.db2.gz QOWUFDNXBSHYCY-UHFFFAOYSA-N -1 3 237.324 2.254 20 0 BEADHM CCCC[C@@H](C)C(=O)[N-]OCCSC ZINC000800338266 586213523 /nfs/dbraw/zinc/21/35/23/586213523.db2.gz WJJGRERTUNVVNL-SECBINFHSA-N -1 3 219.350 2.224 20 0 BEADHM CCCO[N-]C(=O)C[C@@H]1CCC(F)(F)C1 ZINC000844087058 588164831 /nfs/dbraw/zinc/16/48/31/588164831.db2.gz GDABJSYEITWDHF-QMMMGPOBSA-N -1 3 221.247 2.270 20 0 BEADHM C[C@H]1CCC[C@H](C)N1C(=O)Cc1cncc([O-])c1 ZINC000668218596 487880640 /nfs/dbraw/zinc/88/06/40/487880640.db2.gz POQGUKAYADTVMO-QWRGUYRKSA-N -1 3 248.326 2.119 20 0 BEADHM CO[C@H](C(=O)Nc1ccccc1[O-])C1CCC1 ZINC000666921848 487906144 /nfs/dbraw/zinc/90/61/44/487906144.db2.gz FEVNBXGLBMAIBW-LBPRGKRZSA-N -1 3 235.283 2.146 20 0 BEADHM CC[C@@H](C)C[C@@H](CC)Oc1[n-]c(=O)nnc1C ZINC001226461922 974915114 /nfs/dbraw/zinc/91/51/14/974915114.db2.gz YTPVPACPEMZJTL-PSASIEDQSA-N -1 3 239.319 2.479 20 0 BEADHM C[C@@H]1CCCN1[C@H](C(=O)[O-])c1ccsc1 ZINC000146838926 487913840 /nfs/dbraw/zinc/91/38/40/487913840.db2.gz KVXNVGLDHIFFKQ-SCZZXKLOSA-N -1 3 225.313 2.358 20 0 BEADHM CCC(C)(C)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000665915694 487949789 /nfs/dbraw/zinc/94/97/89/487949789.db2.gz KSDRKSNRQLGIRC-UHFFFAOYSA-N -1 3 247.298 2.187 20 0 BEADHM Cc1ccc(C(=O)NCC(C)(F)F)c([O-])c1 ZINC000561533540 323003652 /nfs/dbraw/zinc/00/36/52/323003652.db2.gz DJHASOMYWJDSDW-UHFFFAOYSA-N -1 3 229.226 2.086 20 0 BEADHM CCc1cccc(C(=O)N[C@H](C)C2CC2)c1[O-] ZINC000570252084 323054185 /nfs/dbraw/zinc/05/41/85/323054185.db2.gz GNTDBYQURNMQGW-SECBINFHSA-N -1 3 233.311 2.483 20 0 BEADHM CC[C@@H]1CCN(Cc2occc2C(=O)[O-])C1 ZINC000160602664 323073444 /nfs/dbraw/zinc/07/34/44/323073444.db2.gz GAHXUILYLJEETD-SECBINFHSA-N -1 3 223.272 2.210 20 0 BEADHM CCc1cc(N2CCC(CC(=O)[O-])CC2)ccn1 ZINC000307797032 323078131 /nfs/dbraw/zinc/07/81/31/323078131.db2.gz YHZXTJCVFLLIHJ-UHFFFAOYSA-N -1 3 248.326 2.335 20 0 BEADHM CCc1ccc([O-])c(C(=O)NC2CC(C)C2)c1 ZINC000531225176 323085924 /nfs/dbraw/zinc/08/59/24/323085924.db2.gz WSGVWQQTSDWZDD-UHFFFAOYSA-N -1 3 233.311 2.483 20 0 BEADHM CCc1ccc([O-])c(C(=O)NC[C@H]2C[C@H]2C)c1 ZINC000522754436 323091589 /nfs/dbraw/zinc/09/15/89/323091589.db2.gz IBBHRMAHGLRDPF-MWLCHTKSSA-N -1 3 233.311 2.340 20 0 BEADHM O=C(Nc1ccncc1[O-])[C@@H]1CC12CCCCC2 ZINC000531673976 323111384 /nfs/dbraw/zinc/11/13/84/323111384.db2.gz QBRXOUPIOVULKS-JTQLQIEISA-N -1 3 246.310 2.118 20 0 BEADHM CCc1coc([N-]C(=O)c2ocnc2C2CC2)n1 ZINC000563357597 323119632 /nfs/dbraw/zinc/11/96/32/323119632.db2.gz HRWPLTSEZAZHTE-UHFFFAOYSA-N -1 3 247.254 2.355 20 0 BEADHM C[C@H]1CCN([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC000563543385 323129592 /nfs/dbraw/zinc/12/95/92/323129592.db2.gz USAMEFCIDVJQSF-WCBMZHEXSA-N -1 3 225.313 2.216 20 0 BEADHM CC/C=C\CNC(=O)c1ccc(C)cc1[O-] ZINC000395122715 323188138 /nfs/dbraw/zinc/18/81/38/323188138.db2.gz YPUNYBWVMXZPPY-PLNGDYQASA-N -1 3 219.284 2.397 20 0 BEADHM Cc1cccc(C(=O)NCC2CCC2)c1[O-] ZINC000034653101 323201698 /nfs/dbraw/zinc/20/16/98/323201698.db2.gz VSQREFNAWDMNNP-UHFFFAOYSA-N -1 3 219.284 2.231 20 0 BEADHM Cc1ccc(C(=O)NCC2CCC2)c([O-])c1 ZINC000034653146 323201802 /nfs/dbraw/zinc/20/18/02/323201802.db2.gz GQHPVCXFNRZKFH-UHFFFAOYSA-N -1 3 219.284 2.231 20 0 BEADHM CC(C)=CCN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530169239 323205104 /nfs/dbraw/zinc/20/51/04/323205104.db2.gz ORAVPYZQXQZBDI-GFCCVEGCSA-N -1 3 235.283 2.230 20 0 BEADHM CSCCN(C)C(=O)c1cccc(C)c1[O-] ZINC000152440370 323318964 /nfs/dbraw/zinc/31/89/64/323318964.db2.gz MKTVHJCZGOYXQI-UHFFFAOYSA-N -1 3 239.340 2.136 20 0 BEADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000528113662 323766217 /nfs/dbraw/zinc/76/62/17/323766217.db2.gz ITNDIRJSIDALCI-XHSYRHOGSA-N -1 3 249.310 2.390 20 0 BEADHM CCO[C@H](CC)C(=O)Nc1ccc(C)cc1[O-] ZINC000122587322 324050039 /nfs/dbraw/zinc/05/00/39/324050039.db2.gz KTSCJPWNAHURNE-GFCCVEGCSA-N -1 3 237.299 2.454 20 0 BEADHM COc1ccc([O-])c(C(=O)NC2(C3CC3)CC2)c1 ZINC000537679990 324095911 /nfs/dbraw/zinc/09/59/11/324095911.db2.gz YJIIBUCGRMKYOX-UHFFFAOYSA-N -1 3 247.294 2.073 20 0 BEADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1c([O-])cccc1O ZINC000397223894 324113852 /nfs/dbraw/zinc/11/38/52/324113852.db2.gz IAMQCUAYIQFOCR-FZMZJTMJSA-N -1 3 249.310 2.262 20 0 BEADHM Cc1ccc(NC(=O)[C@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000195315310 324202101 /nfs/dbraw/zinc/20/21/01/324202101.db2.gz HSSDHRWANHSYRB-QWRGUYRKSA-N -1 3 249.310 2.312 20 0 BEADHM C[C@@H]1[C@@H](C(=O)Nc2ncccc2[O-])[C@@H]1C1CC1 ZINC000529007327 324231343 /nfs/dbraw/zinc/23/13/43/324231343.db2.gz CWKJNADPERBWNB-BKDNQFJXSA-N -1 3 232.283 2.018 20 0 BEADHM COc1ccc([O-])c(C(=O)NCC2CC=CC2)c1 ZINC000529713414 324387794 /nfs/dbraw/zinc/38/77/94/324387794.db2.gz SLOLFKWRLDZWAJ-UHFFFAOYSA-N -1 3 247.294 2.097 20 0 BEADHM COc1cccc(C(=O)NCC2CC=CC2)c1[O-] ZINC000529713482 324388071 /nfs/dbraw/zinc/38/80/71/324388071.db2.gz UVOLAPBRAYJPIX-UHFFFAOYSA-N -1 3 247.294 2.097 20 0 BEADHM Cc1cc(NC(=O)c2cccc([O-])c2)c[nH]c1=O ZINC000541888242 324989409 /nfs/dbraw/zinc/98/94/09/324989409.db2.gz SVIYOSSMVAXOEY-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM Cc1ccc(C(=O)NCc2ccc([O-])c(F)c2)o1 ZINC000132724540 325241631 /nfs/dbraw/zinc/24/16/31/325241631.db2.gz GEVPRBAHPVSEOJ-UHFFFAOYSA-N -1 3 249.241 2.363 20 0 BEADHM C/C=C/C=C/C(=O)Nc1ccc(OC)cc1[O-] ZINC000135454900 325413282 /nfs/dbraw/zinc/41/32/82/325413282.db2.gz OZHZRRCFNMZLES-VNKDHWASSA-N -1 3 233.267 2.472 20 0 BEADHM CC(C)CCC(=O)N=c1cc2ccccn2[n-]1 ZINC000552999616 325673291 /nfs/dbraw/zinc/67/32/91/325673291.db2.gz OYCIDYMDUGBESW-UHFFFAOYSA-N -1 3 231.299 2.131 20 0 BEADHM O=C(c1cc([O-])ccc1F)N1C2CCC1CC2 ZINC000556119564 325779483 /nfs/dbraw/zinc/77/94/83/325779483.db2.gz BXAGLULGNYPXSS-UHFFFAOYSA-N -1 3 235.258 2.298 20 0 BEADHM C[C@H](c1ccccn1)N(C)Cc1ncccc1[O-] ZINC000567000633 326100562 /nfs/dbraw/zinc/10/05/62/326100562.db2.gz KAQKDGHKVCILPA-LLVKDONJSA-N -1 3 243.310 2.375 20 0 BEADHM C/C=C\c1ccc(NC(=O)c2cnn[n-]2)cc1 ZINC000567017964 326102000 /nfs/dbraw/zinc/10/20/00/326102000.db2.gz IXWHLRULCMFETC-IHWYPQMZSA-N -1 3 228.255 2.090 20 0 BEADHM CC=Cc1ccc(NC(=O)c2c[n-]nn2)cc1 ZINC000567017964 326102001 /nfs/dbraw/zinc/10/20/01/326102001.db2.gz IXWHLRULCMFETC-IHWYPQMZSA-N -1 3 228.255 2.090 20 0 BEADHM CC=Cc1ccc(NC(=O)c2cn[n-]n2)cc1 ZINC000567017964 326102003 /nfs/dbraw/zinc/10/20/03/326102003.db2.gz IXWHLRULCMFETC-IHWYPQMZSA-N -1 3 228.255 2.090 20 0 BEADHM O=C(Nc1ccc(Cl)cc1[O-])c1cn[nH]c1 ZINC000153608124 326103892 /nfs/dbraw/zinc/10/38/92/326103892.db2.gz VSOJQIBCVJYEER-UHFFFAOYSA-N -1 3 237.646 2.021 20 0 BEADHM CCC[C@@H](C)S(=O)(=O)[N-][C@H](C)C(C)(F)F ZINC000567171760 326129040 /nfs/dbraw/zinc/12/90/40/326129040.db2.gz QGEBTFGCMZYUPP-HTQZYQBOSA-N -1 3 243.319 2.138 20 0 BEADHM CCC[C@@H](O)CC(=O)Nc1ccc([O-])cc1F ZINC000681337930 487973228 /nfs/dbraw/zinc/97/32/28/487973228.db2.gz XHFVARYSXYAEAO-MRVPVSSYSA-N -1 3 241.262 2.021 20 0 BEADHM O=C([O-])c1ccc2c(c1)CN(CC1CC1)C2 ZINC000158848400 487978694 /nfs/dbraw/zinc/97/86/94/487978694.db2.gz QFHARERBIYEUNV-UHFFFAOYSA-N -1 3 217.268 2.110 20 0 BEADHM CC1([N-]S(=O)(=O)c2cccs2)CC=CC1 ZINC000655629003 487989565 /nfs/dbraw/zinc/98/95/65/487989565.db2.gz VRQYNPJFMYKUBL-UHFFFAOYSA-N -1 3 243.353 2.135 20 0 BEADHM CC(C)Oc1ncccc1C(=O)[N-]c1cnoc1 ZINC000671185893 487996875 /nfs/dbraw/zinc/99/68/75/487996875.db2.gz MMWKUCMRMUYIJX-UHFFFAOYSA-N -1 3 247.254 2.109 20 0 BEADHM COc1nn(C)cc1[N-]c1ncc(Cl)s1 ZINC000682721171 488026325 /nfs/dbraw/zinc/02/63/25/488026325.db2.gz QFPYXMDCZNUSCK-UHFFFAOYSA-N -1 3 244.707 2.282 20 0 BEADHM CC[C@H](C)N(C)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000667763661 488111276 /nfs/dbraw/zinc/11/12/76/488111276.db2.gz FOSRXCGKVXPBJU-QMMMGPOBSA-N -1 3 247.298 2.139 20 0 BEADHM CCc1ccc(CN2CCC[C@H](C(=O)[O-])C2)o1 ZINC000086728380 487540244 /nfs/dbraw/zinc/54/02/44/487540244.db2.gz SWMAYDQTRBXJHC-JTQLQIEISA-N -1 3 237.299 2.139 20 0 BEADHM O=C([N-]c1scnc1C1CC1)c1cnco1 ZINC000677840462 488138942 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/nfs/dbraw/zinc/19/88/83/584198883.db2.gz QJJXONJCNCHWJT-SNVBAGLBSA-N -1 3 236.702 2.446 20 0 BEADHM O=c1cccc2c(=O)n(C3CCCC3)[n-]cc1-2 ZINC000899347188 584198902 /nfs/dbraw/zinc/19/89/02/584198902.db2.gz LWMDZGLJWIXPNM-UHFFFAOYSA-N -1 3 230.267 2.217 20 0 BEADHM O=c1c2cccc([O-])c2cnn1C1CCCC1 ZINC000899347188 584198903 /nfs/dbraw/zinc/19/89/03/584198903.db2.gz LWMDZGLJWIXPNM-UHFFFAOYSA-N -1 3 230.267 2.217 20 0 BEADHM O=c1ccnc(C=Cc2ccnn2C2CCC2)[n-]1 ZINC000899360688 584206883 /nfs/dbraw/zinc/20/68/83/584206883.db2.gz NPLGUEYWSDNYSY-PLNGDYQASA-N -1 3 242.282 2.274 20 0 BEADHM CCc1cccc(C(=O)N(C)CCCF)c1[O-] ZINC000899816371 584240395 /nfs/dbraw/zinc/24/03/95/584240395.db2.gz SZUHFHAFLTUVNG-UHFFFAOYSA-N -1 3 239.290 2.386 20 0 BEADHM CCO[N-]C(=O)c1ccnc(Cl)c1Cl ZINC000900075613 584269398 /nfs/dbraw/zinc/26/93/98/584269398.db2.gz AQECMGFPRCKBEW-UHFFFAOYSA-N -1 3 235.070 2.070 20 0 BEADHM CC(C)(O)CCSc1cc(Cl)nc(=O)[n-]1 ZINC000858615652 588971607 /nfs/dbraw/zinc/97/16/07/588971607.db2.gz 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2.030 20 0 BEADHM CC(C)(CCC(=O)[O-])[NH2+]Cc1ccccc1[O-] ZINC000901660526 584476500 /nfs/dbraw/zinc/47/65/00/584476500.db2.gz CPOGTOVWTJOLAK-UHFFFAOYSA-N -1 3 237.299 2.125 20 0 BEADHM Cc1ccc(CNC2(CC(=O)[O-])CCCC2)o1 ZINC000901686753 584481427 /nfs/dbraw/zinc/48/14/27/584481427.db2.gz KUPZEECMIRNZGM-UHFFFAOYSA-N -1 3 237.299 2.465 20 0 BEADHM CCC(CC)(CNCc1nccs1)C(=O)[O-] ZINC000901719625 584483466 /nfs/dbraw/zinc/48/34/66/584483466.db2.gz FZOHAJZGQCTOPC-UHFFFAOYSA-N -1 3 242.344 2.124 20 0 BEADHM C[C@@H]1C[C@@H]1CNCc1ccc(C(=O)[O-])cc1F ZINC000901756671 584490168 /nfs/dbraw/zinc/49/01/68/584490168.db2.gz ZPXCNUWHKXLUOE-LDYMZIIASA-N -1 3 237.274 2.270 20 0 BEADHM C[C@@](CCF)(NCc1ccc(Cl)o1)C(=O)[O-] ZINC000901916840 584504029 /nfs/dbraw/zinc/50/40/29/584504029.db2.gz YTNCHUUBJSVTIR-JTQLQIEISA-N -1 3 249.669 2.226 20 0 BEADHM Cc1cc(CN[C@](C)(CCF)C(=O)[O-])c(C)o1 ZINC000901919655 584504175 /nfs/dbraw/zinc/50/41/75/584504175.db2.gz QZIXBVAPPLUSCV-GFCCVEGCSA-N -1 3 243.278 2.189 20 0 BEADHM CCc1noc([N-]Cc2ccnn2C2CCC2)n1 ZINC000902096488 584525350 /nfs/dbraw/zinc/52/53/50/584525350.db2.gz JEKFFTDJQSIKDM-UHFFFAOYSA-N -1 3 247.302 2.166 20 0 BEADHM CN(Cc1ccc(/C=C/C(=O)[O-])o1)CC1CC1 ZINC000902149271 584530534 /nfs/dbraw/zinc/53/05/34/584530534.db2.gz KQJZZXBKRSCPCK-VOTSOKGWSA-N -1 3 235.283 2.219 20 0 BEADHM CC(C)CN(C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902195509 584536433 /nfs/dbraw/zinc/53/64/33/584536433.db2.gz HUTBZFLZBHRKTH-SREVYHEPSA-N -1 3 237.299 2.465 20 0 BEADHM O=C([O-])/C=C\c1ccc(CN[C@H]2CC23CC3)o1 ZINC000902273924 584550500 /nfs/dbraw/zinc/55/05/00/584550500.db2.gz QBPRMQWMLZZOKS-BYCRGOAPSA-N -1 3 233.267 2.020 20 0 BEADHM COC[C@H](CO[N-]C(=O)CC(C)(C)C)C(C)C ZINC000902420795 584592362 /nfs/dbraw/zinc/59/23/62/584592362.db2.gz SHYWHNQAPNZSLT-LLVKDONJSA-N -1 3 245.363 2.389 20 0 BEADHM O=C([O-])/C=C\c1ccc(CN2CC[C@@H]3C[C@@H]3C2)o1 ZINC000902434497 584595939 /nfs/dbraw/zinc/59/59/39/584595939.db2.gz YMJUFZMFINFSPL-ANDSXOESSA-N -1 3 247.294 2.219 20 0 BEADHM CC(C)N(Cc1cccc(C(=O)[O-])n1)C1CC1 ZINC000902517780 584630913 /nfs/dbraw/zinc/63/09/13/584630913.db2.gz BKXUWKHCEOGKKQ-UHFFFAOYSA-N -1 3 234.299 2.153 20 0 BEADHM CN(CCCF)[C@@H](C(=O)[O-])c1ccccc1F ZINC000903625980 584787893 /nfs/dbraw/zinc/78/78/93/584787893.db2.gz WSYKDLOLHLQSLV-LLVKDONJSA-N -1 3 243.253 2.243 20 0 BEADHM CCCCN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903957245 584827515 /nfs/dbraw/zinc/82/75/15/584827515.db2.gz PKRYXPDVNAODRJ-UHFFFAOYSA-N -1 3 249.310 2.379 20 0 BEADHM Cc1coc(CNC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000904017835 584836794 /nfs/dbraw/zinc/83/67/94/584836794.db2.gz LCQKTOQNFUSROC-LLVKDONJSA-N -1 3 239.315 2.425 20 0 BEADHM CCCCN([O-])C(=O)NOCc1ccccc1 ZINC000904167681 584845711 /nfs/dbraw/zinc/84/57/11/584845711.db2.gz UUWSYFZVQZRFEK-UHFFFAOYSA-N -1 3 238.287 2.319 20 0 BEADHM C[C@H](N[C@@H]1c2ccccc2CC[C@@H]1F)C(=O)[O-] ZINC000904256498 584859064 /nfs/dbraw/zinc/85/90/64/584859064.db2.gz AVUTWEZJSIRJNJ-KPXOXKRLSA-N -1 3 237.274 2.075 20 0 BEADHM C/C(=C/CN(C)CCOc1ccccc1)C(=O)[O-] ZINC000825730463 584891697 /nfs/dbraw/zinc/89/16/97/584891697.db2.gz WVHJVLBVEZLJQX-WQLSENKSSA-N -1 3 249.310 2.028 20 0 BEADHM Cc1ccc(CC(=O)[N-]OCC(F)F)cc1C ZINC000759328221 584906565 /nfs/dbraw/zinc/90/65/65/584906565.db2.gz ONOUWTZXZHVSRF-UHFFFAOYSA-N -1 3 243.253 2.159 20 0 BEADHM Cc1ccc([C@H](C)NCCN(C)C(=O)[O-])cc1 ZINC000830255194 584908132 /nfs/dbraw/zinc/90/81/32/584908132.db2.gz ATVPPGCFOXWAEZ-NSHDSACASA-N -1 3 236.315 2.255 20 0 BEADHM O=C(O[C@@H]1CCOC1)c1cc2ccsc2[n-]1 ZINC000730402889 584910716 /nfs/dbraw/zinc/91/07/16/584910716.db2.gz YXSMHGODSXWYGJ-MRVPVSSYSA-N -1 3 237.280 2.175 20 0 BEADHM CCCCCCN1CCCN(C(=O)[O-])CC1 ZINC000737816169 584927632 /nfs/dbraw/zinc/92/76/32/584927632.db2.gz IRQZJQAHJZCKTA-UHFFFAOYSA-N -1 3 228.336 2.252 20 0 BEADHM Cc1cc([N-]C(=O)c2ncoc2C(C)C)no1 ZINC000732052937 584933148 /nfs/dbraw/zinc/93/31/48/584933148.db2.gz UZCAAACPJYCZQL-UHFFFAOYSA-N -1 3 235.243 2.347 20 0 BEADHM CCC1(C(=O)[N-]OCC(F)(F)F)CCC1 ZINC000766761986 584944194 /nfs/dbraw/zinc/94/41/94/584944194.db2.gz HHSHLDCRELTZLD-UHFFFAOYSA-N -1 3 225.210 2.177 20 0 BEADHM CC1(C(=O)[N-]OCC2CC2)CCCCC1 ZINC000817329393 584985022 /nfs/dbraw/zinc/98/50/22/584985022.db2.gz AAYBXZRIUZRAOB-UHFFFAOYSA-N -1 3 211.305 2.415 20 0 BEADHM C[C@H]1C[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC000736234990 584993066 /nfs/dbraw/zinc/99/30/66/584993066.db2.gz CPYDWQJATURPJL-YUMQZZPRSA-N -1 3 247.277 2.074 20 0 BEADHM C[C@H]1C[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000736234990 584993067 /nfs/dbraw/zinc/99/30/67/584993067.db2.gz CPYDWQJATURPJL-YUMQZZPRSA-N -1 3 247.277 2.074 20 0 BEADHM C[C@@H]1C[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC000736234901 584993087 /nfs/dbraw/zinc/99/30/87/584993087.db2.gz CPYDWQJATURPJL-HTQZYQBOSA-N -1 3 247.277 2.074 20 0 BEADHM C[C@@H]1C[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000736234901 584993088 /nfs/dbraw/zinc/99/30/88/584993088.db2.gz CPYDWQJATURPJL-HTQZYQBOSA-N -1 3 247.277 2.074 20 0 BEADHM C[C@@H]1C[C@@H]1Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736235807 584993267 /nfs/dbraw/zinc/99/32/67/584993267.db2.gz GSOLPNZICKAANX-LDWIPMOCSA-N -1 3 249.705 2.340 20 0 BEADHM C[C@@H]1C[C@@H]1Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736235807 584993268 /nfs/dbraw/zinc/99/32/68/584993268.db2.gz GSOLPNZICKAANX-LDWIPMOCSA-N -1 3 249.705 2.340 20 0 BEADHM CC(C)(CC(=O)[O-])NCc1cccc(F)c1F ZINC000736316932 584997399 /nfs/dbraw/zinc/99/73/99/584997399.db2.gz IEGZENZBNXUMBX-UHFFFAOYSA-N -1 3 243.253 2.308 20 0 BEADHM CCC(CC)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000736345184 584998409 /nfs/dbraw/zinc/99/84/09/584998409.db2.gz FVRVSWUZTSPVQH-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CCC(CC)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000736345184 584998410 /nfs/dbraw/zinc/99/84/10/584998410.db2.gz FVRVSWUZTSPVQH-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CCC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736423297 585001400 /nfs/dbraw/zinc/00/14/00/585001400.db2.gz NIQMCKLFQRTJEE-JTQLQIEISA-N -1 3 245.330 2.492 20 0 BEADHM CCC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736423297 585001401 /nfs/dbraw/zinc/00/14/01/585001401.db2.gz NIQMCKLFQRTJEE-JTQLQIEISA-N -1 3 245.330 2.492 20 0 BEADHM CS[C@H](C)CCC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819775443 585006782 /nfs/dbraw/zinc/00/67/82/585006782.db2.gz GIRCJEQAMMJRCT-SFYZADRCSA-N -1 3 246.401 2.126 20 0 BEADHM C[C@@H]1CN=C([N-]C(=O)[C@@H]2CCCC[C@@H]2C)S1 ZINC000819784513 585007284 /nfs/dbraw/zinc/00/72/84/585007284.db2.gz ROTMWBHNTHVJAL-IVZWLZJFSA-N -1 3 240.372 2.420 20 0 BEADHM CC[C@H](N[C@@H](C)CC(=O)[O-])c1c(C)noc1C ZINC000820285329 585011838 /nfs/dbraw/zinc/01/18/38/585011838.db2.gz ZDLVMTBRWXNAJY-XVKPBYJWSA-N -1 3 240.303 2.195 20 0 BEADHM C[Si](C)(C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737196623 585027373 /nfs/dbraw/zinc/02/73/73/585027373.db2.gz URHHDGACUQSZQL-UHFFFAOYSA-N -1 3 248.362 2.123 20 0 BEADHM C[Si](C)(C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737196623 585027374 /nfs/dbraw/zinc/02/73/74/585027374.db2.gz URHHDGACUQSZQL-UHFFFAOYSA-N -1 3 248.362 2.123 20 0 BEADHM CC(C)[C@@H]1C[C@H]1[N-]C(=O)C(F)(F)C(F)F 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206.241 2.434 20 0 BEADHM C/C=C(\C)C(=O)Nc1cc(F)ccc1[O-] ZINC000759701506 585378811 /nfs/dbraw/zinc/37/88/11/585378811.db2.gz CCGYOXQDPXJHSY-XVNBXDOJSA-N -1 3 209.220 2.436 20 0 BEADHM Cc1cccc(NC(=O)C(=O)C(C)(C)C)c1[O-] ZINC000759722634 585379255 /nfs/dbraw/zinc/37/92/55/585379255.db2.gz LSIJZZDOMRWYOH-UHFFFAOYSA-N -1 3 235.283 2.254 20 0 BEADHM Cc1ccc(F)cc1NC([O-])=NOCC(F)F ZINC000759929748 585383008 /nfs/dbraw/zinc/38/30/08/585383008.db2.gz ZWEKLDAOTUJOAV-UHFFFAOYSA-N -1 3 248.204 2.452 20 0 BEADHM Cc1ccc(F)cc1NC(=O)[N-]OCC(F)F ZINC000759929748 585383009 /nfs/dbraw/zinc/38/30/09/585383009.db2.gz ZWEKLDAOTUJOAV-UHFFFAOYSA-N -1 3 248.204 2.452 20 0 BEADHM Cc1ccc(NC([O-])=NOCC(F)F)c(F)c1 ZINC000759926720 585383049 /nfs/dbraw/zinc/38/30/49/585383049.db2.gz CKXWUBKIALLRNL-UHFFFAOYSA-N -1 3 248.204 2.452 20 0 BEADHM Cc1ccc(NC(=O)[N-]OCC(F)F)c(F)c1 ZINC000759926720 585383050 /nfs/dbraw/zinc/38/30/50/585383050.db2.gz CKXWUBKIALLRNL-UHFFFAOYSA-N -1 3 248.204 2.452 20 0 BEADHM 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BEADHM CC[C@H](C)CSc1ccc(-c2nnn[n-]2)cn1 ZINC000820869504 587078340 /nfs/dbraw/zinc/07/83/40/587078340.db2.gz HFRHWSHEJJEQNU-QMMMGPOBSA-N -1 3 249.343 2.400 20 0 BEADHM CC[C@H](C)CSc1ccc(-c2nn[n-]n2)cn1 ZINC000820869504 587078342 /nfs/dbraw/zinc/07/83/42/587078342.db2.gz HFRHWSHEJJEQNU-QMMMGPOBSA-N -1 3 249.343 2.400 20 0 BEADHM CC[C@@H](C)CSc1ccc(-c2nnn[n-]2)cn1 ZINC000820869502 587078441 /nfs/dbraw/zinc/07/84/41/587078441.db2.gz HFRHWSHEJJEQNU-MRVPVSSYSA-N -1 3 249.343 2.400 20 0 BEADHM CC[C@@H](C)CSc1ccc(-c2nn[n-]n2)cn1 ZINC000820869502 587078442 /nfs/dbraw/zinc/07/84/42/587078442.db2.gz HFRHWSHEJJEQNU-MRVPVSSYSA-N -1 3 249.343 2.400 20 0 BEADHM CCC[C@@H](CC)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000821014022 587088799 /nfs/dbraw/zinc/08/87/99/587088799.db2.gz ASNMTDCMALGZNP-SECBINFHSA-N -1 3 246.318 2.252 20 0 BEADHM CCC[C@@H](CC)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000821014022 587088801 /nfs/dbraw/zinc/08/88/01/587088801.db2.gz ASNMTDCMALGZNP-SECBINFHSA-N -1 3 246.318 2.252 20 0 BEADHM Cc1ccc2c(c1C)OC[C@@H]2N[C@@H](C)CC(=O)[O-] ZINC000821103886 587096012 /nfs/dbraw/zinc/09/60/12/587096012.db2.gz TUUWWNOVSMRLEV-CABZTGNLSA-N -1 3 249.310 2.190 20 0 BEADHM O=C([O-])[C@@H]1CCN(C/C=C\c2ccc(F)cc2)C1 ZINC000821511250 587124244 /nfs/dbraw/zinc/12/42/44/587124244.db2.gz DWGSLKTXQANDFE-UDSFMNFJSA-N -1 3 249.285 2.245 20 0 BEADHM O=C([O-])CCN[C@@H]1CCc2c1c(F)ccc2F ZINC000821524880 587125852 /nfs/dbraw/zinc/12/58/52/587125852.db2.gz ITRWIQIMZPHHBE-SNVBAGLBSA-N -1 3 241.237 2.016 20 0 BEADHM C/C=C\COC(=O)c1c(Cl)[n-]nc1CC ZINC000860223002 589088898 /nfs/dbraw/zinc/08/88/98/589088898.db2.gz KCWFUKBVZUVVGF-HYXAFXHYSA-N -1 3 228.679 2.358 20 0 BEADHM C/C=C\COC(=O)c1c(Cl)n[n-]c1CC ZINC000860223002 589088900 /nfs/dbraw/zinc/08/89/00/589088900.db2.gz KCWFUKBVZUVVGF-HYXAFXHYSA-N -1 3 228.679 2.358 20 0 BEADHM FCCCSc1cccc(-c2nnn[n-]2)c1 ZINC000822736892 587183080 /nfs/dbraw/zinc/18/30/80/587183080.db2.gz LSYFCNNMXZOEJJ-UHFFFAOYSA-N -1 3 238.291 2.318 20 0 BEADHM FCCCSc1cccc(-c2nn[n-]n2)c1 ZINC000822736892 587183081 /nfs/dbraw/zinc/18/30/81/587183081.db2.gz LSYFCNNMXZOEJJ-UHFFFAOYSA-N -1 3 238.291 2.318 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)c1c(F)cncc1F ZINC000823100768 587202688 /nfs/dbraw/zinc/20/26/88/587202688.db2.gz IVJDWKJOKDEJFS-SSDOTTSWSA-N -1 3 244.241 2.067 20 0 BEADHM c1cc(-c2nnn[n-]2)ccc1NCCC1CCC1 ZINC000823742444 587238922 /nfs/dbraw/zinc/23/89/22/587238922.db2.gz GIYSANAEPVISON-UHFFFAOYSA-N -1 3 243.314 2.469 20 0 BEADHM c1cc(-c2nn[n-]n2)ccc1NCCC1CCC1 ZINC000823742444 587238924 /nfs/dbraw/zinc/23/89/24/587238924.db2.gz GIYSANAEPVISON-UHFFFAOYSA-N -1 3 243.314 2.469 20 0 BEADHM CCC(CC)CNc1cnccc1-c1nnn[n-]1 ZINC000825106585 587304782 /nfs/dbraw/zinc/30/47/82/587304782.db2.gz GAPQORYLNJWWMX-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CCC(CC)CNc1cnccc1-c1nn[n-]n1 ZINC000825106585 587304784 /nfs/dbraw/zinc/30/47/84/587304784.db2.gz GAPQORYLNJWWMX-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM C[C@@H](NC[C@@H]1CCCN1C(=O)[O-])c1ccco1 ZINC000825490901 587321469 /nfs/dbraw/zinc/32/14/69/587321469.db2.gz RYNHFVNYAKZORQ-ZJUUUORDSA-N -1 3 238.287 2.073 20 0 BEADHM C[C@H](NC[C@H]1CCCN1C(=O)[O-])c1ccoc1 ZINC000825490608 587321656 /nfs/dbraw/zinc/32/16/56/587321656.db2.gz MZGGOYKHHZTHPR-GXSJLCMTSA-N -1 3 238.287 2.073 20 0 BEADHM C/C(=C\CN(C)[C@@H](C)c1cccc(O)c1)C(=O)[O-] ZINC000825729694 587334280 /nfs/dbraw/zinc/33/42/80/587334280.db2.gz KUJREZMTZQPUTB-HUYFXPKMSA-N -1 3 249.310 2.416 20 0 BEADHM C/C(=C/CN1CC[C@H]1c1ccccc1)C(=O)[O-] ZINC000825736460 587335659 /nfs/dbraw/zinc/33/56/59/587335659.db2.gz ZJNZZWDUMMEUNA-YLBKJLTLSA-N -1 3 231.295 2.464 20 0 BEADHM C/C(=C/CN1Cc2ccccc2C[C@@H]1C)C(=O)[O-] ZINC000825745656 587336659 /nfs/dbraw/zinc/33/66/59/587336659.db2.gz BXZCCYGHQXZAGA-RDQDRAATSA-N -1 3 245.322 2.464 20 0 BEADHM C[C@H]1C[C@@H](NC(=O)[O-])CCN1Cc1ccccc1 ZINC000825843489 587341249 /nfs/dbraw/zinc/34/12/49/587341249.db2.gz AHFVFEQPSWLWSQ-AAEUAGOBSA-N -1 3 248.326 2.307 20 0 BEADHM C[C@@H]1C[C@H]1NCc1cccc2c1N(C(=O)[O-])CC2 ZINC000825861203 587342338 /nfs/dbraw/zinc/34/23/38/587342338.db2.gz QFYZIBIJJFZDBJ-BXKDBHETSA-N -1 3 246.310 2.225 20 0 BEADHM C[C@@H]1CC[C@H](NCCNC(=O)[O-])c2ccccc21 ZINC000825881118 587343790 /nfs/dbraw/zinc/34/37/90/587343790.db2.gz SVTQUOIEFTYKRN-MFKMUULPSA-N -1 3 248.326 2.482 20 0 BEADHM C[C@@H](C(=O)[O-])[C@@H](NCCF)c1ccccc1 ZINC000826053990 587349652 /nfs/dbraw/zinc/34/96/52/587349652.db2.gz JYNNDDUDAXZXSH-MWLCHTKSSA-N -1 3 225.263 2.008 20 0 BEADHM CCC[C@@H]1C[C@@H]1NCc1ccc(NC(=O)[O-])nc1 ZINC000826774251 587361826 /nfs/dbraw/zinc/36/18/26/587361826.db2.gz DXMWTQPXIOZBSD-MNOVXSKESA-N -1 3 249.314 2.450 20 0 BEADHM CCCC[C@H](CNC(=O)[O-])NCc1ccco1 ZINC000826815510 587363222 /nfs/dbraw/zinc/36/32/22/587363222.db2.gz RWPFUDLXYYVYAP-SNVBAGLBSA-N -1 3 240.303 2.196 20 0 BEADHM CCN(CCN[C@H]1CCc2ccccc21)C(=O)[O-] ZINC000827150189 587371361 /nfs/dbraw/zinc/37/13/61/587371361.db2.gz ARIJMHQVBUECPZ-ZDUSSCGKSA-N -1 3 248.326 2.263 20 0 BEADHM CCN(CCN[C@H](C)c1ccsc1)C(=O)[O-] ZINC000827151052 587371379 /nfs/dbraw/zinc/37/13/79/587371379.db2.gz SWKWOQDVQDYKQK-SECBINFHSA-N -1 3 242.344 2.399 20 0 BEADHM CC(C(=O)[N-]OCC(F)(F)F)=C1CCC1 ZINC000827243097 587373676 /nfs/dbraw/zinc/37/36/76/587373676.db2.gz KSLFSYAFFZZGHX-UHFFFAOYSA-N -1 3 223.194 2.097 20 0 BEADHM C[C@]1(C(=O)[N-]OCC(F)(F)F)CC=CCC1 ZINC000827243651 587373769 /nfs/dbraw/zinc/37/37/69/587373769.db2.gz PZUKUCDJHKSLJI-VIFPVBQESA-N -1 3 237.221 2.343 20 0 BEADHM CCc1ccc([C@H](C)NCCCNC(=O)[O-])o1 ZINC000827576454 587389757 /nfs/dbraw/zinc/38/97/57/587389757.db2.gz DLEDGOIZNAKWCI-VIFPVBQESA-N -1 3 240.303 2.150 20 0 BEADHM C[C@@H](c1ccccc1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000827951640 587412829 /nfs/dbraw/zinc/41/28/29/587412829.db2.gz ZGTFOCBVWSBXJA-GXFFZTMASA-N -1 3 237.274 2.246 20 0 BEADHM CCCO[N-]C(=O)Nc1cccc(F)c1 ZINC000828222149 587425261 /nfs/dbraw/zinc/42/52/61/587425261.db2.gz ODCSBZAYGREYHU-UHFFFAOYSA-N -1 3 212.224 2.289 20 0 BEADHM CCC(CC)(CC(=O)[O-])NCc1cc(C)no1 ZINC000828800072 587463071 /nfs/dbraw/zinc/46/30/71/587463071.db2.gz RHGCWHNIGNMQRR-UHFFFAOYSA-N -1 3 240.303 2.106 20 0 BEADHM C[C@H]1CCC[C@]1(C)C(=O)[N-]OCC(F)F ZINC000829283684 587491347 /nfs/dbraw/zinc/49/13/47/587491347.db2.gz SQCDYBJRVFZEEH-XVKPBYJWSA-N -1 3 221.247 2.126 20 0 BEADHM CCCN(C)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000829459155 587498633 /nfs/dbraw/zinc/49/86/33/587498633.db2.gz TZHAUBVMPHOYCS-UHFFFAOYSA-N -1 3 247.298 2.034 20 0 BEADHM Cc1ccc([C@H](C)N[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000830258025 587544363 /nfs/dbraw/zinc/54/43/63/587544363.db2.gz ZCPVYFFQHPPGQS-AAEUAGOBSA-N -1 3 248.326 2.398 20 0 BEADHM Cc1ccccc1[C@H](C)N[C@H]1CCN(C(=O)[O-])C1 ZINC000830553474 587557978 /nfs/dbraw/zinc/55/79/78/587557978.db2.gz HORVKWYRNGLVBU-RYUDHWBXSA-N -1 3 248.326 2.398 20 0 BEADHM CCCON=C([O-])Nc1cccnc1Cl ZINC000831347508 587600537 /nfs/dbraw/zinc/60/05/37/587600537.db2.gz ZXUYTSGWIWIPFD-UHFFFAOYSA-N -1 3 229.667 2.198 20 0 BEADHM CCCO[N-]C(=O)Nc1cccnc1Cl ZINC000831347508 587600539 /nfs/dbraw/zinc/60/05/39/587600539.db2.gz ZXUYTSGWIWIPFD-UHFFFAOYSA-N -1 3 229.667 2.198 20 0 BEADHM CCON(CC)C(=O)c1cccc(C)c1[O-] ZINC000831491837 587613882 /nfs/dbraw/zinc/61/38/82/587613882.db2.gz SJIRGKVKWASDKB-UHFFFAOYSA-N -1 3 223.272 2.114 20 0 BEADHM CCCON=C([O-])Nc1cc(C(C)C)on1 ZINC000831502212 587615004 /nfs/dbraw/zinc/61/50/04/587615004.db2.gz IKQPNTSBZSRMGE-UHFFFAOYSA-N -1 3 227.264 2.261 20 0 BEADHM CCCO[N-]C(=O)Nc1cc(C(C)C)on1 ZINC000831502212 587615005 /nfs/dbraw/zinc/61/50/05/587615005.db2.gz IKQPNTSBZSRMGE-UHFFFAOYSA-N -1 3 227.264 2.261 20 0 BEADHM CSCCO[N-]C(=O)[C@]1(C)CCC[C@@H]1C ZINC000831583430 587621278 /nfs/dbraw/zinc/62/12/78/587621278.db2.gz XLCBOWKNCRGZGM-GXSJLCMTSA-N -1 3 231.361 2.224 20 0 BEADHM CCCO[N-]C(=O)Nc1ccc2c(c1)COC2 ZINC000831599854 587622771 /nfs/dbraw/zinc/62/27/71/587622771.db2.gz UAZQMQUFZORDBM-UHFFFAOYSA-N -1 3 236.271 2.180 20 0 BEADHM CC[C@H]([N-]C(=O)C(F)F)C(=O)c1ccccc1 ZINC000831612681 587623393 /nfs/dbraw/zinc/62/33/93/587623393.db2.gz GFBHBWOOTVRADX-VIFPVBQESA-N -1 3 241.237 2.029 20 0 BEADHM C[C@@H](CC(=O)[N-]OC1CCCC1)[C@@H]1CCCO1 ZINC000831707180 587628555 /nfs/dbraw/zinc/62/85/55/587628555.db2.gz YELWSPNGSAMPBR-JQWIXIFHSA-N -1 3 241.331 2.182 20 0 BEADHM CCCON=C([O-])Nc1cc(Cl)ccn1 ZINC000831789322 587631856 /nfs/dbraw/zinc/63/18/56/587631856.db2.gz MIGZGKJHKVMFHU-UHFFFAOYSA-N -1 3 229.667 2.198 20 0 BEADHM CCCO[N-]C(=O)Nc1cc(Cl)ccn1 ZINC000831789322 587631857 /nfs/dbraw/zinc/63/18/57/587631857.db2.gz MIGZGKJHKVMFHU-UHFFFAOYSA-N -1 3 229.667 2.198 20 0 BEADHM CCCON=C([O-])Nc1cccc(SC)n1 ZINC000831798498 587632656 /nfs/dbraw/zinc/63/26/56/587632656.db2.gz LUHRVRRKDJJOLW-UHFFFAOYSA-N -1 3 241.316 2.267 20 0 BEADHM CCCO[N-]C(=O)Nc1cccc(SC)n1 ZINC000831798498 587632657 /nfs/dbraw/zinc/63/26/57/587632657.db2.gz LUHRVRRKDJJOLW-UHFFFAOYSA-N -1 3 241.316 2.267 20 0 BEADHM CCCO[N-]C(=O)Nc1ccc2c(c1)CCC2=O ZINC000831840358 587633306 /nfs/dbraw/zinc/63/33/06/587633306.db2.gz MLPYSGBMEIURRX-UHFFFAOYSA-N -1 3 248.282 2.279 20 0 BEADHM CCCON=C([O-])Nc1cc2c(cn1)CCCC2 ZINC000831826384 587633441 /nfs/dbraw/zinc/63/34/41/587633441.db2.gz AJSYBFLYJMZZJW-UHFFFAOYSA-N -1 3 249.314 2.424 20 0 BEADHM CCCO[N-]C(=O)Nc1cc2c(cn1)CCCC2 ZINC000831826384 587633443 /nfs/dbraw/zinc/63/34/43/587633443.db2.gz AJSYBFLYJMZZJW-UHFFFAOYSA-N -1 3 249.314 2.424 20 0 BEADHM CCCON=C([O-])Nc1ccc2c(n1)CCC2 ZINC000831855478 587634832 /nfs/dbraw/zinc/63/48/32/587634832.db2.gz UVFFJLVSDNGRBH-UHFFFAOYSA-N -1 3 235.287 2.033 20 0 BEADHM CCCO[N-]C(=O)Nc1ccc2c(n1)CCC2 ZINC000831855478 587634833 /nfs/dbraw/zinc/63/48/33/587634833.db2.gz UVFFJLVSDNGRBH-UHFFFAOYSA-N -1 3 235.287 2.033 20 0 BEADHM O=C([N-]OC1CCC1)[C@@H]1CC12CCSCC2 ZINC000832332561 587654608 /nfs/dbraw/zinc/65/46/08/587654608.db2.gz KPAHFMASQGEWMH-JTQLQIEISA-N -1 3 241.356 2.120 20 0 BEADHM O=C(CCCF)[N-]OC1CCCCC1 ZINC000832548355 587666171 /nfs/dbraw/zinc/66/61/71/587666171.db2.gz UARHWVBXCFIIRO-UHFFFAOYSA-N -1 3 203.257 2.117 20 0 BEADHM O=C(CC1CC(F)(F)C1)[N-]OCCC1CC1 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587724134 /nfs/dbraw/zinc/72/41/34/587724134.db2.gz AUUPPOJZBWNRDS-VHSXEESVSA-N -1 3 236.315 2.333 20 0 BEADHM C[C@H]1CCCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC000833614409 587724161 /nfs/dbraw/zinc/72/41/61/587724161.db2.gz MCGHEMQSZFCWRM-JTQLQIEISA-N -1 3 236.315 2.335 20 0 BEADHM CCCN(C)Cc1ccc(NC(=O)[O-])nc1 ZINC000833852765 587735737 /nfs/dbraw/zinc/73/57/37/587735737.db2.gz DTBFPTDDRZMOQZ-UHFFFAOYSA-N -1 3 223.276 2.013 20 0 BEADHM O=C([O-])N[C@@H]1CCC[C@@H]1NCc1ccsc1 ZINC000834178163 587748006 /nfs/dbraw/zinc/74/80/06/587748006.db2.gz YFMALRVDIDENHS-VHSXEESVSA-N -1 3 240.328 2.026 20 0 BEADHM [O-]C(=NOC1CCC1)Nc1ccccc1F ZINC000836190519 587828228 /nfs/dbraw/zinc/82/82/28/587828228.db2.gz YUKLVDDZOLOYGB-UHFFFAOYSA-N -1 3 224.235 2.431 20 0 BEADHM O=C([N-]OC1CCC1)Nc1ccccc1F ZINC000836190519 587828229 /nfs/dbraw/zinc/82/82/29/587828229.db2.gz YUKLVDDZOLOYGB-UHFFFAOYSA-N -1 3 224.235 2.431 20 0 BEADHM CCc1nc(NC([O-])=NOC(C)C)sc1C ZINC000836436360 587833252 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590088013 /nfs/dbraw/zinc/08/80/13/590088013.db2.gz KNQXBCOVRNTRPU-BFLSOPEQSA-N -1 3 249.310 2.356 20 0 BEADHM CCC[C@@H](CC)C(=O)[N-]O[C@H]1CCCCO1 ZINC000874262071 590100901 /nfs/dbraw/zinc/10/09/01/590100901.db2.gz IGGJHCHDZVEVQO-MNOVXSKESA-N -1 3 229.320 2.387 20 0 BEADHM CCC(F)(F)C(=O)[N-][C@H](C)c1nccnc1C ZINC000874656439 590120759 /nfs/dbraw/zinc/12/07/59/590120759.db2.gz OBRRSAXWARKCPT-MRVPVSSYSA-N -1 3 243.257 2.008 20 0 BEADHM COCC1(N(C)C(=O)c2ccccc2[O-])CCC1 ZINC000874937567 590156600 /nfs/dbraw/zinc/15/66/00/590156600.db2.gz UXGJUPGGHJDNEC-UHFFFAOYSA-N -1 3 249.310 2.033 20 0 BEADHM C[C@H](CC1CCC1)NC(=O)c1ccc(N)cc1[O-] ZINC000877205106 590300993 /nfs/dbraw/zinc/30/09/93/590300993.db2.gz YHHQSFCAWFKXOM-SECBINFHSA-N -1 3 248.326 2.283 20 0 BEADHM CC[C@@H]1CCC[C@]1(C)C(=O)[N-]C1=NCCS1 ZINC000877963035 590459772 /nfs/dbraw/zinc/45/97/72/590459772.db2.gz FCUYUDCXGNALMQ-SKDRFNHKSA-N -1 3 240.372 2.422 20 0 BEADHM Cc1nc(NC([O-])=NOCCC2CC2)cs1 ZINC000879016896 590678919 /nfs/dbraw/zinc/67/89/19/590678919.db2.gz RXGWKIDVXWKQFL-UHFFFAOYSA-N -1 3 241.316 2.305 20 0 BEADHM Cc1nc(NC(=O)[N-]OCCC2CC2)cs1 ZINC000879016896 590678921 /nfs/dbraw/zinc/67/89/21/590678921.db2.gz RXGWKIDVXWKQFL-UHFFFAOYSA-N -1 3 241.316 2.305 20 0 BEADHM C/C(=C\CN(C)CCc1cccs1)C(=O)[O-] ZINC000211298134 591153967 /nfs/dbraw/zinc/15/39/67/591153967.db2.gz ZZFWUPCNVSOEBH-BJMVGYQFSA-N -1 3 239.340 2.253 20 0 BEADHM CCCON=C([O-])Nc1ncsc1C1CC1 ZINC000881027947 591156783 /nfs/dbraw/zinc/15/67/83/591156783.db2.gz SYBMOIDWCGKAMW-UHFFFAOYSA-N -1 3 241.316 2.484 20 0 BEADHM CCCO[N-]C(=O)Nc1ncsc1C1CC1 ZINC000881027947 591156787 /nfs/dbraw/zinc/15/67/87/591156787.db2.gz SYBMOIDWCGKAMW-UHFFFAOYSA-N -1 3 241.316 2.484 20 0 BEADHM CC(C)(C)SCCSCCc1nnn[n-]1 ZINC000882190743 591313946 /nfs/dbraw/zinc/31/39/46/591313946.db2.gz MYLVOKNMIYMJQW-UHFFFAOYSA-N -1 3 246.405 2.007 20 0 BEADHM CC(C)(C)SCCSCCc1nn[n-]n1 ZINC000882190743 591313949 /nfs/dbraw/zinc/31/39/49/591313949.db2.gz MYLVOKNMIYMJQW-UHFFFAOYSA-N -1 3 246.405 2.007 20 0 BEADHM C[C@H]1C[C@@H]1C(=O)NCc1cc([O-])ccc1Cl ZINC000882227477 591317681 /nfs/dbraw/zinc/31/76/81/591317681.db2.gz JKERDPRFESEXNJ-XVKPBYJWSA-N -1 3 239.702 2.318 20 0 BEADHM CC(C)(C)c1ccc(Cn2c([O-])coc2=O)cc1 ZINC000882272267 591323186 /nfs/dbraw/zinc/32/31/86/591323186.db2.gz OZXKBOYXSRMPTB-UHFFFAOYSA-N -1 3 247.294 2.463 20 0 BEADHM C[C@@H]1C[C@@H](NCc2cc([O-])ccc2Cl)CO1 ZINC000883324990 591615814 /nfs/dbraw/zinc/61/58/14/591615814.db2.gz LKLDLVRDTRUCBU-PSASIEDQSA-N -1 3 241.718 2.313 20 0 BEADHM C[C@H]1C[C@H](NCc2cc([O-])ccc2Cl)CO1 ZINC000883324993 591615930 /nfs/dbraw/zinc/61/59/30/591615930.db2.gz LKLDLVRDTRUCBU-WPRPVWTQSA-N -1 3 241.718 2.313 20 0 BEADHM Cc1cc(C=Cc2nccc(=O)[n-]2)ccc1F ZINC000131732292 591649876 /nfs/dbraw/zinc/64/98/76/591649876.db2.gz ZHPVGGFAQRWHRJ-HWKANZROSA-N -1 3 230.242 2.388 20 0 BEADHM C/C(=C\CN(C)Cc1ccccc1)C(=O)[O-] ZINC000214602419 591673802 /nfs/dbraw/zinc/67/38/02/591673802.db2.gz JMRXCZKAVZPJRU-DHZHZOJOSA-N -1 3 219.284 2.149 20 0 BEADHM CC[C@H](C)COC(=O)c1cccc2nn[n-]c21 ZINC000800205412 591839135 /nfs/dbraw/zinc/83/91/35/591839135.db2.gz HAQKXXWDSIDFHW-QMMMGPOBSA-N -1 3 233.271 2.161 20 0 BEADHM CC[C@H](C)COC(=O)c1cccc2[n-]nnc21 ZINC000800205412 591839139 /nfs/dbraw/zinc/83/91/39/591839139.db2.gz HAQKXXWDSIDFHW-QMMMGPOBSA-N -1 3 233.271 2.161 20 0 BEADHM CC[C@H](C)COC(=O)c1cccc2n[n-]nc21 ZINC000800205412 591839144 /nfs/dbraw/zinc/83/91/44/591839144.db2.gz HAQKXXWDSIDFHW-QMMMGPOBSA-N -1 3 233.271 2.161 20 0 BEADHM CC[C@@H](C)COC(=O)c1cccc2nn[n-]c21 ZINC000800205411 591839871 /nfs/dbraw/zinc/83/98/71/591839871.db2.gz HAQKXXWDSIDFHW-MRVPVSSYSA-N -1 3 233.271 2.161 20 0 BEADHM CC[C@@H](C)COC(=O)c1cccc2[n-]nnc21 ZINC000800205411 591839873 /nfs/dbraw/zinc/83/98/73/591839873.db2.gz HAQKXXWDSIDFHW-MRVPVSSYSA-N -1 3 233.271 2.161 20 0 BEADHM CC[C@@H](C)COC(=O)c1cccc2n[n-]nc21 ZINC000800205411 591839878 /nfs/dbraw/zinc/83/98/78/591839878.db2.gz HAQKXXWDSIDFHW-MRVPVSSYSA-N -1 3 233.271 2.161 20 0 BEADHM O=C(CC[C@@H]1CCCCO1)[N-]OC1CCCC1 ZINC000135144557 591991693 /nfs/dbraw/zinc/99/16/93/591991693.db2.gz MCCHGIAEGDAGRT-NSHDSACASA-N -1 3 241.331 2.326 20 0 BEADHM COc1ccc(NC(=O)C(C)(C)F)c([O-])c1 ZINC000135433157 592012558 /nfs/dbraw/zinc/01/25/58/592012558.db2.gz JKGAULBDGTZLFZ-UHFFFAOYSA-N -1 3 227.235 2.087 20 0 BEADHM CC[C@H]1CCC[C@H]1C(=O)NCc1cncc([O-])c1 ZINC000886274939 592194598 /nfs/dbraw/zinc/19/45/98/592194598.db2.gz HYNMRVKTXZTPKY-WCQYABFASA-N -1 3 248.326 2.230 20 0 BEADHM CC(C)(C(=O)NCc1cncc([O-])c1)C1CCC1 ZINC000886274941 592194704 /nfs/dbraw/zinc/19/47/04/592194704.db2.gz HYZYGNJERQILNK-UHFFFAOYSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@@H]1CCC[C@]1(C)C(=O)NCc1cncc([O-])c1 ZINC000886274813 592195059 /nfs/dbraw/zinc/19/50/59/592195059.db2.gz CDGDUJHOEPSKJU-YGRLFVJLSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@H]1CC/C(=C/C(=O)NCc2cncc([O-])c2)C1 ZINC000886278139 592197128 /nfs/dbraw/zinc/19/71/28/592197128.db2.gz 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242.344 2.439 20 0 BEADHM Clc1ccc(NCC2CC2)c(-c2nnn[n-]2)c1 ZINC000095141616 598744205 /nfs/dbraw/zinc/74/42/05/598744205.db2.gz QFRASXOVKBPFIR-UHFFFAOYSA-N -1 3 249.705 2.342 20 0 BEADHM Clc1ccc(NCC2CC2)c(-c2nn[n-]n2)c1 ZINC000095141616 598744206 /nfs/dbraw/zinc/74/42/06/598744206.db2.gz QFRASXOVKBPFIR-UHFFFAOYSA-N -1 3 249.705 2.342 20 0 BEADHM O=C([O-])N[C@H](CN1CCCCC1)c1ccccc1 ZINC000739927707 599742209 /nfs/dbraw/zinc/74/22/09/599742209.db2.gz DTUJYWLKDHEBDQ-CYBMUJFWSA-N -1 3 248.326 2.481 20 0 BEADHM C[C@@H](N[C@@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000049353318 600741532 /nfs/dbraw/zinc/74/15/32/600741532.db2.gz OGWIPDBKWCFEEM-NKWVEPMBSA-N -1 3 229.226 2.089 20 0 BEADHM O=C([O-])c1ccc(CN2C[C@@H]3CCC[C@@H]32)s1 ZINC000706964323 602208388 /nfs/dbraw/zinc/20/83/88/602208388.db2.gz JSIINYHMYQIZPA-WPRPVWTQSA-N -1 3 237.324 2.431 20 0 BEADHM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[O-] ZINC000740155710 602663382 /nfs/dbraw/zinc/66/33/82/602663382.db2.gz ULTCGEQPBXRUJO-AAEUAGOBSA-N -1 3 246.310 2.281 20 0 BEADHM O=C([O-])N1CC[C@@H](CN2Cc3ccccc3C2)C1 ZINC000740503001 603341358 /nfs/dbraw/zinc/34/13/58/603341358.db2.gz IWBYNOISQSALRM-NSHDSACASA-N -1 3 246.310 2.002 20 0 BEADHM C[C@H]1CCC[C@@H](CN2CCN(C(=O)[O-])CC2)C1 ZINC000833610701 604842898 /nfs/dbraw/zinc/84/28/98/604842898.db2.gz KNVGLMMXZXBXHO-NWDGAFQWSA-N -1 3 240.347 2.108 20 0 BEADHM CC(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095241788 607731479 /nfs/dbraw/zinc/73/14/79/607731479.db2.gz CVMXGVJCTVLEFN-SECBINFHSA-N -1 3 246.318 2.108 20 0 BEADHM CC(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095241788 607731481 /nfs/dbraw/zinc/73/14/81/607731481.db2.gz CVMXGVJCTVLEFN-SECBINFHSA-N -1 3 246.318 2.108 20 0 BEADHM CC(C)CCNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000095199177 606456297 /nfs/dbraw/zinc/45/62/97/606456297.db2.gz ZHSNHDIHONMLBX-UHFFFAOYSA-N -1 3 249.293 2.464 20 0 BEADHM CC(C)CCNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000095199177 606456298 /nfs/dbraw/zinc/45/62/98/606456298.db2.gz ZHSNHDIHONMLBX-UHFFFAOYSA-N -1 3 249.293 2.464 20 0 BEADHM CCCCNc1cccc(-c2nnn[n-]2)c1 ZINC000037102207 606478823 /nfs/dbraw/zinc/47/88/23/606478823.db2.gz XYSJDBHALXTLDS-UHFFFAOYSA-N -1 3 217.276 2.079 20 0 BEADHM CCCCNc1cccc(-c2nn[n-]n2)c1 ZINC000037102207 606478826 /nfs/dbraw/zinc/47/88/26/606478826.db2.gz XYSJDBHALXTLDS-UHFFFAOYSA-N -1 3 217.276 2.079 20 0 BEADHM CCCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000095278270 606780254 /nfs/dbraw/zinc/78/02/54/606780254.db2.gz YJIHFNTWSAYVBF-UHFFFAOYSA-N -1 3 238.678 2.309 20 0 BEADHM CCCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000095278270 606780255 /nfs/dbraw/zinc/78/02/55/606780255.db2.gz YJIHFNTWSAYVBF-UHFFFAOYSA-N -1 3 238.678 2.309 20 0 BEADHM CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000095318877 606850891 /nfs/dbraw/zinc/85/08/91/606850891.db2.gz GDFZRMJTRGSKQT-UHFFFAOYSA-N -1 3 226.692 2.242 20 0 BEADHM CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000095318877 606850892 /nfs/dbraw/zinc/85/08/92/606850892.db2.gz GDFZRMJTRGSKQT-UHFFFAOYSA-N -1 3 226.692 2.242 20 0 BEADHM Clc1ccc(NCC2CC2)cc1-c1nnn[n-]1 ZINC000095154635 606861278 /nfs/dbraw/zinc/86/12/78/606861278.db2.gz FBOCNUSWOKFEFB-UHFFFAOYSA-N -1 3 249.705 2.342 20 0 BEADHM Clc1ccc(NCC2CC2)cc1-c1nn[n-]n1 ZINC000095154635 606861279 /nfs/dbraw/zinc/86/12/79/606861279.db2.gz FBOCNUSWOKFEFB-UHFFFAOYSA-N -1 3 249.705 2.342 20 0 BEADHM C[C@@H]1CCC[C@@H](Cn2ccc(-c3nnn[n-]3)c2)C1 ZINC000824925586 609380149 /nfs/dbraw/zinc/38/01/49/609380149.db2.gz FKIABULRYKROAQ-GHMZBOCLSA-N -1 3 245.330 2.495 20 0 BEADHM C[C@@H]1CCC[C@@H](Cn2ccc(-c3nn[n-]n3)c2)C1 ZINC000824925586 609380152 /nfs/dbraw/zinc/38/01/52/609380152.db2.gz FKIABULRYKROAQ-GHMZBOCLSA-N -1 3 245.330 2.495 20 0 BEADHM CCCCC[C@@H](C)[N-]S(=O)(=O)C(F)F ZINC001259961986 992066391 /nfs/dbraw/zinc/06/63/91/992066391.db2.gz AONHWVARAXOWOC-SSDOTTSWSA-N -1 3 229.292 2.097 20 0 BEADHM CCCCC[C@H](C)[N-]S(=O)(=O)C(F)F ZINC001259961987 992070929 /nfs/dbraw/zinc/07/09/29/992070929.db2.gz AONHWVARAXOWOC-ZETCQYMHSA-N -1 3 229.292 2.097 20 0 BEADHM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)C(F)F ZINC001259962126 992072397 /nfs/dbraw/zinc/07/23/97/992072397.db2.gz CZTGERPHUNHLLP-MRVPVSSYSA-N -1 3 243.319 2.343 20 0 BEADHM CC[C@@](C)(O)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000935017583 632415340 /nfs/dbraw/zinc/41/53/40/632415340.db2.gz PUCBHVZPLMFLFF-LLVKDONJSA-N -1 3 243.690 2.145 20 0 BEADHM CC(C)CO[N-]C(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000153453399 632818293 /nfs/dbraw/zinc/81/82/93/632818293.db2.gz KVTASHNXHUFVNV-GHMZBOCLSA-N -1 3 229.320 2.038 20 0 BEADHM Cc1cc(CN2CCC[C@@]2(C)C(=O)[O-])cs1 ZINC000309251396 632842013 /nfs/dbraw/zinc/84/20/13/632842013.db2.gz BKBWKZUMLOUUML-LBPRGKRZSA-N -1 3 239.340 2.496 20 0 BEADHM CSCCCC(=O)[N-]OCCC(F)(F)F ZINC000162649528 633034794 /nfs/dbraw/zinc/03/47/94/633034794.db2.gz UYJAMEMPDDVEED-UHFFFAOYSA-N -1 3 245.266 2.130 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-]C2(C)CCCC2)o1 ZINC000336337362 635901482 /nfs/dbraw/zinc/90/14/82/635901482.db2.gz CBOYMZOIAWPYEF-UHFFFAOYSA-N -1 3 243.328 2.199 20 0 BEADHM Cc1nc(NCCc2cccs2)cc(=O)[n-]1 ZINC000165715710 633095980 /nfs/dbraw/zinc/09/59/80/633095980.db2.gz BUTNODGTYTXJKR-UHFFFAOYSA-N -1 3 235.312 2.207 20 0 BEADHM COCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000126715952 635982264 /nfs/dbraw/zinc/98/22/64/635982264.db2.gz XGNFZNMWNPYEBK-UHFFFAOYSA-N -1 3 238.070 2.125 20 0 BEADHM CCOCCO[N-]C(=O)CC1(C)CCCCC1 ZINC000184828806 634021202 /nfs/dbraw/zinc/02/12/02/634021202.db2.gz RMJZOGPXBXUDTL-UHFFFAOYSA-N -1 3 243.347 2.431 20 0 BEADHM CCCCCCNC(=O)c1ccc(O)cc1[O-] ZINC000192889753 634256409 /nfs/dbraw/zinc/25/64/09/634256409.db2.gz QDHUQTHYJROMST-UHFFFAOYSA-N -1 3 237.299 2.408 20 0 BEADHM CCO[N-]C(=O)CCc1cccc(Cl)c1 ZINC000253490030 635721588 /nfs/dbraw/zinc/72/15/88/635721588.db2.gz HFZKVZDKENBBCP-UHFFFAOYSA-N -1 3 227.691 2.340 20 0 BEADHM CC1(C(=O)[N-]OCc2ccccn2)CCCC1 ZINC000909529386 636181500 /nfs/dbraw/zinc/18/15/00/636181500.db2.gz NGACBMHVUNZGOU-UHFFFAOYSA-N -1 3 234.299 2.210 20 0 BEADHM CC(C)(C)CCC(=O)[N-]OCc1ccccn1 ZINC000909536693 636227048 /nfs/dbraw/zinc/22/70/48/636227048.db2.gz PIPDCQUGVUFFMG-UHFFFAOYSA-N -1 3 236.315 2.456 20 0 BEADHM C[C@@H]1CC[C@H](CC(=O)[N-]OCc2ccccn2)C1 ZINC000909538566 636231639 /nfs/dbraw/zinc/23/16/39/636231639.db2.gz MGZPEWQGGKVKJI-NEPJUHHUSA-N -1 3 248.326 2.456 20 0 BEADHM O=C([N-]OCc1ccccn1)C12CCC(CC1)C2 ZINC000909537314 636232617 /nfs/dbraw/zinc/23/26/17/636232617.db2.gz DDDNCNLFEPVXPA-UHFFFAOYSA-N -1 3 246.310 2.210 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CCCCC1 ZINC000096785561 637003966 /nfs/dbraw/zinc/00/39/66/637003966.db2.gz UHNVMGFPTVBAJI-UHFFFAOYSA-N -1 3 235.283 2.027 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CCC(C)CC1 ZINC000096785514 637005462 /nfs/dbraw/zinc/00/54/62/637005462.db2.gz HAIZWBDSSJLYMC-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM CC[C@@H]1CCCCN1Cc1cc(C(=O)[O-])no1 ZINC000042416975 637239370 /nfs/dbraw/zinc/23/93/70/637239370.db2.gz LDKZYRMWAYXRDP-SECBINFHSA-N -1 3 238.287 2.137 20 0 BEADHM Cc1nc(C)c(C=Cc2nc(C)cc(=O)[n-]2)o1 ZINC000905075101 637605779 /nfs/dbraw/zinc/60/57/79/637605779.db2.gz SUGHLVXPWINBQR-SNAWJCMRSA-N -1 3 231.255 2.266 20 0 BEADHM Cc1coc(C[N-]c2nnc([C@H]3CCCO3)o2)c1 ZINC000905408720 637799299 /nfs/dbraw/zinc/79/92/99/637799299.db2.gz VKZCIOWGATVJTK-SNVBAGLBSA-N -1 3 249.270 2.435 20 0 BEADHM CCO[N-]C(=O)C1(C2CCCCC2)CC1 ZINC000905768560 637923561 /nfs/dbraw/zinc/92/35/61/637923561.db2.gz ZLGWZHKCPAYABP-UHFFFAOYSA-N -1 3 211.305 2.415 20 0 BEADHM CC[C@H](Nc1cc(=O)[n-]c(C)n1)C1CC1 ZINC000323711681 638589865 /nfs/dbraw/zinc/58/98/65/638589865.db2.gz KRLIHFZLPSQWDK-VIFPVBQESA-N -1 3 207.277 2.091 20 0 BEADHM CC[C@@H](Nc1cc(=O)[n-]c(C)n1)C1CC1 ZINC000323711680 638590850 /nfs/dbraw/zinc/59/08/50/638590850.db2.gz KRLIHFZLPSQWDK-SECBINFHSA-N -1 3 207.277 2.091 20 0 BEADHM Cc1cccc([O-])c1C(=O)NN1CCCC[C@H]1C ZINC000912158115 639956466 /nfs/dbraw/zinc/95/64/66/639956466.db2.gz BAXGWKZNLPZOCV-LLVKDONJSA-N -1 3 248.326 2.220 20 0 BEADHM Cc1nc(N[C@H](C)C2CCC2)cc(=O)[n-]1 ZINC000165367305 640563332 /nfs/dbraw/zinc/56/33/32/640563332.db2.gz MVCXATVPAUOOPV-SSDOTTSWSA-N -1 3 207.277 2.091 20 0 BEADHM Cc1nc(N[C@@H](C)C2CCC2)cc(=O)[n-]1 ZINC000165367190 640564968 /nfs/dbraw/zinc/56/49/68/640564968.db2.gz MVCXATVPAUOOPV-ZETCQYMHSA-N -1 3 207.277 2.091 20 0 BEADHM CO[N-]C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000062329924 641040461 /nfs/dbraw/zinc/04/04/61/641040461.db2.gz JGSSBRXGWBRJBZ-GFCCVEGCSA-N -1 3 221.300 2.494 20 0 BEADHM CCc1ccc(CC(=O)[N-]OCC(F)F)cc1 ZINC000759334651 641418655 /nfs/dbraw/zinc/41/86/55/641418655.db2.gz MLEIMVFWHRCBRR-UHFFFAOYSA-N -1 3 243.253 2.104 20 0 BEADHM CC(=O)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000914890915 641779451 /nfs/dbraw/zinc/77/94/51/641779451.db2.gz KDJGVJTYMBJIBX-SSDOTTSWSA-N -1 3 237.280 2.364 20 0 BEADHM CC(C)CO[N-]C(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000153453732 641798314 /nfs/dbraw/zinc/79/83/14/641798314.db2.gz KVTASHNXHUFVNV-QWRGUYRKSA-N -1 3 229.320 2.038 20 0 BEADHM O=C(OCc1ccccc1F)c1cncc([O-])c1 ZINC000731915934 641821231 /nfs/dbraw/zinc/82/12/31/641821231.db2.gz NWHKKCISDDYQKO-UHFFFAOYSA-N -1 3 247.225 2.283 20 0 BEADHM CCCCCC[C@@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000920086178 642434859 /nfs/dbraw/zinc/43/48/59/642434859.db2.gz SIDREEVQMXQWKR-SNVBAGLBSA-N -1 3 247.346 2.497 20 0 BEADHM CO[C@@H](C)CO[N-]C(=O)CCC1CCCCC1 ZINC000181630776 642891594 /nfs/dbraw/zinc/89/15/94/642891594.db2.gz NAZGLXMHDUJUHS-NSHDSACASA-N -1 3 243.347 2.430 20 0 BEADHM C[C@@H]1CCCCCN1Cc1cc(C(=O)[O-])no1 ZINC000070410252 643024594 /nfs/dbraw/zinc/02/45/94/643024594.db2.gz LEMWMUIDZLMJIW-SECBINFHSA-N -1 3 238.287 2.137 20 0 BEADHM CCCO[N-]C(=O)CCC(=O)c1ccccc1 ZINC000844079522 643381825 /nfs/dbraw/zinc/38/18/25/643381825.db2.gz DHEYTMOHTDGICL-UHFFFAOYSA-N -1 3 235.283 2.107 20 0 BEADHM CCCO[N-]C(=O)C[C@H]1CCC[C@H](OC)C1 ZINC000844086847 643383101 /nfs/dbraw/zinc/38/31/01/643383101.db2.gz BMCXDKUBENSECF-QWRGUYRKSA-N -1 3 229.320 2.040 20 0 BEADHM CCCSCCC[N-]C(=O)C(F)(F)F ZINC000091617442 643775527 /nfs/dbraw/zinc/77/55/27/643775527.db2.gz YWXRNZUFNKSGGD-UHFFFAOYSA-N -1 3 229.267 2.198 20 0 BEADHM C#C[C@@H](C)/N=C/c1cc(Cl)ccc1[O-] ZINC000186847221 644151231 /nfs/dbraw/zinc/15/12/31/644151231.db2.gz RRPDOIDGZUTBIL-OREIZAMCSA-N -1 3 207.660 2.486 20 0 BEADHM CCC1(C(=O)[N-]OCCC2CC2)CCC1 ZINC000817371869 644977782 /nfs/dbraw/zinc/97/77/82/644977782.db2.gz AZVURMGIIFCTJR-UHFFFAOYSA-N -1 3 211.305 2.415 20 0 BEADHM CO[C@H]1CCC[C@@H](CC(=O)[N-]OCC2CC2)C1 ZINC000817339779 644973843 /nfs/dbraw/zinc/97/38/43/644973843.db2.gz XGHRRDLJVIZZAV-NEPJUHHUSA-N -1 3 241.331 2.040 20 0 BEADHM C[C@H](CC(=O)[N-]OCCC1CC1)c1cccnc1 ZINC000817399269 644977072 /nfs/dbraw/zinc/97/70/72/644977072.db2.gz IWUVCKGKFPSZLJ-LLVKDONJSA-N -1 3 248.326 2.423 20 0 BEADHM CCC(F)(F)C(=O)[N-][C@@H](COC)c1ccco1 ZINC000829499129 645108562 /nfs/dbraw/zinc/10/85/62/645108562.db2.gz KEZFJDLINCOGBH-QMMMGPOBSA-N -1 3 247.241 2.129 20 0 BEADHM CCC(F)(F)C(=O)[N-][C@H]1CCCC1(F)F ZINC000854478359 645506785 /nfs/dbraw/zinc/50/67/85/645506785.db2.gz UWZNASJPUFWZMM-LURJTMIESA-N -1 3 227.201 2.336 20 0 BEADHM O=C(CCC1CC1)[N-]OCc1ccccc1 ZINC000115320726 645622070 /nfs/dbraw/zinc/62/20/70/645622070.db2.gz BPOJTNKTCZISNK-UHFFFAOYSA-N -1 3 219.284 2.425 20 0 BEADHM O=C(OC[C@H]1CCCO1)c1cc2occc2[n-]1 ZINC000115388389 645635844 /nfs/dbraw/zinc/63/58/44/645635844.db2.gz ZMDJWJGZQAHJAN-MRVPVSSYSA-N -1 3 235.239 2.097 20 0 BEADHM O=C([N-][C@H]1CC12CCCC2)C(F)(F)C(F)F ZINC000387225533 711041655 /nfs/dbraw/zinc/04/16/55/711041655.db2.gz HRALIJXPHFUAPU-LURJTMIESA-N -1 3 239.212 2.336 20 0 BEADHM CC(C)O[N-]C(=O)CCc1cccs1 ZINC000393957640 711179686 /nfs/dbraw/zinc/17/96/86/711179686.db2.gz YJGYFQNFDYBKTR-UHFFFAOYSA-N -1 3 213.302 2.137 20 0 BEADHM CN(Cc1ccc(C(=O)[O-])cn1)C1CC(C)(C)C1 ZINC000395398629 711210292 /nfs/dbraw/zinc/21/02/92/711210292.db2.gz FMKDWHSTXYZUII-UHFFFAOYSA-N -1 3 248.326 2.400 20 0 BEADHM Cc1nc(NC[C@H](C)CC(F)(F)F)cc(=O)[n-]1 ZINC000396932876 711372895 /nfs/dbraw/zinc/37/28/95/711372895.db2.gz BJCWCTLKPVLBJW-ZCFIWIBFSA-N -1 3 249.236 2.491 20 0 BEADHM O=C(N[C@@H]1CC12CCC2)c1ccccc1[O-] ZINC000721296654 711959770 /nfs/dbraw/zinc/95/97/70/711959770.db2.gz YSAJUXVTRYGRDB-LLVKDONJSA-N -1 3 217.268 2.065 20 0 BEADHM CC1(C)C[C@@]1(C)NCc1ccc(C(=O)[O-])cn1 ZINC000706562229 712149710 /nfs/dbraw/zinc/14/97/10/712149710.db2.gz QFEPECHYZJJMME-CYBMUJFWSA-N -1 3 234.299 2.058 20 0 BEADHM Cc1nc(N[C@H]2CCCC23CC3)cc(=O)[n-]1 ZINC000706923874 712160957 /nfs/dbraw/zinc/16/09/57/712160957.db2.gz LFENZONVCKQRGT-VIFPVBQESA-N -1 3 219.288 2.235 20 0 BEADHM CCC[C@@H]1CCCN(c2cc(=O)[n-]cn2)C1 ZINC000708486974 712211178 /nfs/dbraw/zinc/21/11/78/712211178.db2.gz UIWLLEYNHAJXEA-SNVBAGLBSA-N -1 3 221.304 2.199 20 0 BEADHM CC[C@H](CC(=O)[N-]OCCOC)C(C)(C)C ZINC000711181019 712287842 /nfs/dbraw/zinc/28/78/42/712287842.db2.gz OFUKGTLUPQMQEN-SNVBAGLBSA-N -1 3 231.336 2.143 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](CF)C1 ZINC000711468478 712302562 /nfs/dbraw/zinc/30/25/62/712302562.db2.gz DVGMRXYBVZIUCR-SNVBAGLBSA-N -1 3 237.274 2.132 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC[C@H]1C=CCC1 ZINC000711686093 712317279 /nfs/dbraw/zinc/31/72/79/712317279.db2.gz BDFLOBMNNSZKAR-NSHDSACASA-N -1 3 231.295 2.397 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1C=CCC1 ZINC000711686092 712317294 /nfs/dbraw/zinc/31/72/94/712317294.db2.gz BDFLOBMNNSZKAR-LLVKDONJSA-N -1 3 231.295 2.397 20 0 BEADHM O=C([O-])c1cccc(CNCC2=CCCCC2)n1 ZINC000379590537 712389837 /nfs/dbraw/zinc/38/98/37/712389837.db2.gz USAGBTWCMQSMPT-UHFFFAOYSA-N -1 3 246.310 2.370 20 0 BEADHM CN(CCCF)Cc1csc(C(=O)[O-])c1 ZINC000714921996 712500253 /nfs/dbraw/zinc/50/02/53/712500253.db2.gz ABVHIKSVWMUBRV-UHFFFAOYSA-N -1 3 231.292 2.238 20 0 BEADHM CN(CCCF)Cc1ccsc1C(=O)[O-] ZINC000714954291 712503582 /nfs/dbraw/zinc/50/35/82/712503582.db2.gz MPHNOFZEZDZIED-UHFFFAOYSA-N -1 3 231.292 2.238 20 0 BEADHM COc1cccc(CCC(=O)[N-]OC2CCC2)c1 ZINC000812787607 712586536 /nfs/dbraw/zinc/58/65/36/712586536.db2.gz AABNZMMGPNRUFI-UHFFFAOYSA-N -1 3 249.310 2.228 20 0 BEADHM O=C(Cc1ccccc1Cl)[N-]OC1CCC1 ZINC000812787683 712586553 /nfs/dbraw/zinc/58/65/53/712586553.db2.gz 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228.317 2.290 20 0 BEADHM [S-]c1ccccc1O[C@H]1CN2CCC1CC2 ZINC000226230101 1166363584 /nfs/dbraw/zinc/36/35/84/1166363584.db2.gz YOESHSJNXFSZGD-LBPRGKRZSA-N -1 3 235.352 2.448 20 0 BEADHM [O-]c1ccc(CN2CC[C@H](F)C2)cc1F ZINC000689849721 1166365511 /nfs/dbraw/zinc/36/55/11/1166365511.db2.gz PKLDHEXJQOOAPO-VIFPVBQESA-N -1 3 213.227 2.075 20 0 BEADHM C[C@H](N)c1ccn(-c2cc(F)ccc2[S-])n1 ZINC001169235576 969494673 /nfs/dbraw/zinc/49/46/73/969494673.db2.gz XGEOZWLVMLGEJK-ZETCQYMHSA-N -1 3 237.303 2.320 20 0 BEADHM C[C@@H]1CC[C@H](C)[C@@H](Oc2cc(=O)[n-]cn2)C1 ZINC001226943922 975168866 /nfs/dbraw/zinc/16/88/66/975168866.db2.gz ANRBSHNTTHOAGF-UTLUCORTSA-N -1 3 222.288 2.386 20 0 BEADHM C[C@@H]1CCC[C@H](Oc2cc(=O)[n-]cn2)[C@H]1C ZINC001226944991 975173007 /nfs/dbraw/zinc/17/30/07/975173007.db2.gz MJTQGMWODNYWSJ-UTLUCORTSA-N -1 3 222.288 2.386 20 0 BEADHM C=Cc1c[n-]c(=O)nc1O[C@@H](C)C(F)(F)F ZINC001227713926 975641238 /nfs/dbraw/zinc/64/12/38/975641238.db2.gz PRVWPOMSTUIJAI-YFKPBYRVSA-N -1 3 234.177 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O=C([O-])CC1(NC/C(Cl)=C/Cl)CCC1 ZINC001601933149 978868530 /nfs/dbraw/zinc/86/85/30/978868530.db2.gz NVMJGOFOXWBYBE-ALCCZGGFSA-N -1 3 238.114 2.292 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@H]2CCC(F)(F)C2)n1 ZINC001339707199 978896026 /nfs/dbraw/zinc/89/60/26/978896026.db2.gz RCNXCSNMTVUEIJ-QMMMGPOBSA-N -1 3 243.257 2.338 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2C[C@H]3CCC[C@H]32)n1 ZINC001339843441 978922221 /nfs/dbraw/zinc/92/22/21/978922221.db2.gz QVGQVPVRNRHCAA-OPRDCNLKSA-N -1 3 219.288 2.091 20 0 BEADHM Cc1nc2cc([N-]c3nnc(C)o3)ccc2[nH]1 ZINC001213070470 1168234297 /nfs/dbraw/zinc/23/42/97/1168234297.db2.gz RIWAFKGPZOWUAC-UHFFFAOYSA-N -1 3 229.243 2.306 20 0 BEADHM C[C@H](NCC1(CC(=O)[O-])CC1)c1cscn1 ZINC001604339433 979621658 /nfs/dbraw/zinc/62/16/58/979621658.db2.gz YDNIGQZMQGMGOD-QMMMGPOBSA-N -1 3 240.328 2.049 20 0 BEADHM C[C@H](N[C@H]1C=CCC1)c1cc(C(=O)[O-])co1 ZINC001604324386 979618430 /nfs/dbraw/zinc/61/84/30/979618430.db2.gz INWVFXWDBMPKIE-WPRPVWTQSA-N -1 3 221.256 2.347 20 0 BEADHM CC[C@@H](CN[C@@H](C)c1cc(C(=O)[O-])co1)OC ZINC001605040561 979802068 /nfs/dbraw/zinc/80/20/68/979802068.db2.gz PFWOFGQYKTWOBA-WPRPVWTQSA-N -1 3 241.287 2.053 20 0 BEADHM CC[C@H](CN[C@@H](C)c1cc(C(=O)[O-])co1)OC ZINC001605040560 979800994 /nfs/dbraw/zinc/80/09/94/979800994.db2.gz PFWOFGQYKTWOBA-WCBMZHEXSA-N -1 3 241.287 2.053 20 0 BEADHM CN(Cc1ccno1)Cc1occc1[S-] ZINC001237180859 979827263 /nfs/dbraw/zinc/82/72/63/979827263.db2.gz BQAXZXMLVLPXEY-UHFFFAOYSA-N -1 3 224.285 2.188 20 0 BEADHM O=c1[n-]c(Cl)c(CN2CCC[C@H]3C[C@H]32)s1 ZINC001237170692 979830325 /nfs/dbraw/zinc/83/03/25/979830325.db2.gz YRBKOFZZAGECDZ-NKWVEPMBSA-N -1 3 244.747 2.486 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2CCCC[C@H]2F)n1 ZINC001348214327 981311142 /nfs/dbraw/zinc/31/11/42/981311142.db2.gz KKSCYYLLBDHQHC-RKDXNWHRSA-N -1 3 225.267 2.183 20 0 BEADHM Cc1n[nH]cc1Nc1cc(F)c([O-])c(F)c1 ZINC001174473463 1168694067 /nfs/dbraw/zinc/69/40/67/1168694067.db2.gz AOYTYKMJOLHEAU-UHFFFAOYSA-N -1 3 225.198 2.446 20 0 BEADHM CC[C@H](C)[C@H](N[C@H](C)c1cscn1)C(=O)[O-] ZINC001594918337 982451366 /nfs/dbraw/zinc/45/13/66/982451366.db2.gz VQUVTHXGHRFNCN-XKSSXDPKSA-N -1 3 242.344 2.293 20 0 BEADHM C[C@H]([NH2+]CCCC(=O)[O-])c1cc([O-])cc(F)c1 ZINC001589128966 982630077 /nfs/dbraw/zinc/63/00/77/982630077.db2.gz XHWSFFBINGBYPR-QMMMGPOBSA-N -1 3 241.262 2.047 20 0 BEADHM C[C@@H](F)CCN[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001592950776 983221244 /nfs/dbraw/zinc/22/12/44/983221244.db2.gz PODXAFVVEZLOJB-SFYZADRCSA-N -1 3 229.251 2.377 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@@H](C)C1CCC1 ZINC001226070922 974774304 /nfs/dbraw/zinc/77/43/04/974774304.db2.gz IQQLFCFJFGMVGZ-QMMMGPOBSA-N -1 3 208.261 2.058 20 0 BEADHM C[C@]1(F)CCN(Cc2ncccc2[O-])C[C@@H]1F ZINC001138390557 1169356569 /nfs/dbraw/zinc/35/65/69/1169356569.db2.gz ANDAWUWBNSOOTO-RYUDHWBXSA-N -1 3 242.269 2.059 20 0 BEADHM Cc1nonc1[N-]c1cc2n[nH]cc2c(F)c1 ZINC001215553094 970785497 /nfs/dbraw/zinc/78/54/97/970785497.db2.gz OOMBQCLSVQMCKN-UHFFFAOYSA-N -1 3 233.206 2.137 20 0 BEADHM Cn1nccc1Nc1cc(F)c([O-])cc1F ZINC001215569877 970786423 /nfs/dbraw/zinc/78/64/23/970786423.db2.gz IJGZMBXHHZWTOI-UHFFFAOYSA-N -1 3 225.198 2.148 20 0 BEADHM O=C1NCc2c1cccc2-c1cccc([O-])c1F ZINC001243544921 970793057 /nfs/dbraw/zinc/79/30/57/970793057.db2.gz KGFZLGMVZDXKQB-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM C[C@]1(C(=O)[O-])CCCN1CC=C(Cl)Cl ZINC000403317504 970907605 /nfs/dbraw/zinc/90/76/05/970907605.db2.gz GJSULQYKMDDMHD-SECBINFHSA-N -1 3 238.114 2.245 20 0 BEADHM COc1cnc(F)c([N-]c2ncc(C)o2)c1 ZINC001216404328 971078137 /nfs/dbraw/zinc/07/81/37/971078137.db2.gz CQCSIKILSSSFMD-UHFFFAOYSA-N -1 3 223.207 2.269 20 0 BEADHM Cc1nnc([N-]c2cc(Cl)cc(CO)c2)o1 ZINC001216433903 971088084 /nfs/dbraw/zinc/08/80/84/971088084.db2.gz MPSVKPQXWSQMGW-UHFFFAOYSA-N -1 3 239.662 2.267 20 0 BEADHM CC(C)CCSc1ncccc1-c1nnn[n-]1 ZINC000095149754 944612484 /nfs/dbraw/zinc/61/24/84/944612484.db2.gz RMZQLSFTXRCCIK-UHFFFAOYSA-N -1 3 249.343 2.400 20 0 BEADHM CC(C)CCSc1ncccc1-c1nn[n-]n1 ZINC000095149754 944612486 /nfs/dbraw/zinc/61/24/86/944612486.db2.gz RMZQLSFTXRCCIK-UHFFFAOYSA-N -1 3 249.343 2.400 20 0 BEADHM CCCOc1ccc([N-]c2nnc(C)o2)cn1 ZINC001216583826 971130315 /nfs/dbraw/zinc/13/03/15/971130315.db2.gz BBOWCPMXARWIIF-UHFFFAOYSA-N -1 3 234.259 2.305 20 0 BEADHM CCn1ncc2cc([N-]c3nnc(C)o3)ccc21 ZINC001216589124 971135141 /nfs/dbraw/zinc/13/51/41/971135141.db2.gz VRVBRDLHIOREGE-UHFFFAOYSA-N -1 3 243.270 2.491 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CCC(C)(C)C1 ZINC000405298203 971231163 /nfs/dbraw/zinc/23/11/63/971231163.db2.gz QFYQBXLQTKKYSX-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM COc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@H]1C ZINC000405293783 971231303 /nfs/dbraw/zinc/23/13/03/971231303.db2.gz MPSCEXDANXHRGA-NXEZZACHSA-N -1 3 249.310 2.319 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CC[C@H](C)[C@@H]1C ZINC000405326476 971235827 /nfs/dbraw/zinc/23/58/27/971235827.db2.gz UPLKSPHBCNEPBE-UWVGGRQHSA-N -1 3 249.310 2.271 20 0 BEADHM COc1cccc([O-])c1C(=O)N[C@H]1CC[C@@H](C)C1 ZINC000405369887 971246426 /nfs/dbraw/zinc/24/64/26/971246426.db2.gz YLLZBHBUHKSYJE-ZJUUUORDSA-N -1 3 249.310 2.319 20 0 BEADHM COc1cccc([O-])c1C(=O)N[C@H]1CC[C@H](C)C1 ZINC000405369885 971250507 /nfs/dbraw/zinc/25/05/07/971250507.db2.gz YLLZBHBUHKSYJE-UWVGGRQHSA-N -1 3 249.310 2.319 20 0 BEADHM CCC(CC)NC(=O)c1c([O-])cccc1OC ZINC000405445943 971260459 /nfs/dbraw/zinc/26/04/59/971260459.db2.gz FPDBZINAPHOQLO-UHFFFAOYSA-N -1 3 237.299 2.319 20 0 BEADHM COc1cccc([O-])c1C(=O)N[C@@H]1CC=CCC1 ZINC000405489654 971263250 /nfs/dbraw/zinc/26/32/50/971263250.db2.gz OXPRRBPDCQDQQN-SNVBAGLBSA-N -1 3 247.294 2.239 20 0 BEADHM Cc1cc(-c2cncc(C(N)=O)c2)cc([O-])c1F ZINC001244518295 971321228 /nfs/dbraw/zinc/32/12/28/971321228.db2.gz SPKMEIXIFBVAGM-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM O=C1C=C([O-])CC(c2nnc(C3CCCC3)o2)C1 ZINC001257493897 971412843 /nfs/dbraw/zinc/41/28/43/971412843.db2.gz HCNCZDDRPLOPOG-UHFFFAOYSA-N -1 3 248.282 2.133 20 0 BEADHM CC[C@H](NCCCC(=O)[O-])c1nccs1 ZINC000070732886 948984876 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/nfs/dbraw/zinc/90/89/96/971908996.db2.gz XQMWVDNQIZAPOD-SECBINFHSA-N -1 3 240.303 2.383 20 0 BEADHM Cc1cccc(CN(CC(=O)[O-])C2CC2)c1F ZINC000384629279 971945837 /nfs/dbraw/zinc/94/58/37/971945837.db2.gz JTONFGMTZSAXKS-UHFFFAOYSA-N -1 3 237.274 2.183 20 0 BEADHM CC(C)CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000315065309 972211082 /nfs/dbraw/zinc/21/10/82/972211082.db2.gz AHBUYQTWVOHVKV-SSDOTTSWSA-N -1 3 228.317 2.148 20 0 BEADHM C[C@@H](Cc1ccco1)NCc1ccc(C(=O)[O-])o1 ZINC000071380950 957721234 /nfs/dbraw/zinc/72/12/34/957721234.db2.gz GAVZKFNIWQEJAP-VIFPVBQESA-N -1 3 249.266 2.292 20 0 BEADHM CCc1ncccc1Nc1cnc(C)[n-]c1=O ZINC001210466812 957756066 /nfs/dbraw/zinc/75/60/66/957756066.db2.gz HEQUPLWBQGVZJD-UHFFFAOYSA-N -1 3 230.271 2.192 20 0 BEADHM CCn1cc(NC(=O)c2c(C)cccc2[O-])cn1 ZINC000706621296 958076886 /nfs/dbraw/zinc/07/68/86/958076886.db2.gz BNZONQPJHYQKHL-UHFFFAOYSA-N -1 3 245.282 2.169 20 0 BEADHM CCc1cc(NC(=O)c2c(C)cccc2[O-])n[nH]1 ZINC000706668776 958138143 /nfs/dbraw/zinc/13/81/43/958138143.db2.gz HPHFJVFKURXORB-UHFFFAOYSA-N -1 3 245.282 2.238 20 0 BEADHM CCC1CCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC000094762339 958307472 /nfs/dbraw/zinc/30/74/72/958307472.db2.gz FLSIUOVNVBEIMW-UHFFFAOYSA-N -1 3 248.326 2.402 20 0 BEADHM O=C([O-])c1ccc(CN2CCC23CCCC3)o1 ZINC000707351915 958478520 /nfs/dbraw/zinc/47/85/20/958478520.db2.gz ODODEAFIXKWZLK-UHFFFAOYSA-N -1 3 235.283 2.496 20 0 BEADHM CC[C@H]1CCN(C(=O)c2c([O-])cccc2OC)C1 ZINC000405280261 959430826 /nfs/dbraw/zinc/43/08/26/959430826.db2.gz BBVNDTJTJFZICM-JTQLQIEISA-N -1 3 249.310 2.273 20 0 BEADHM O=C([O-])[C@H](NC/C=C\Cl)c1ccccc1 ZINC000220024664 959799460 /nfs/dbraw/zinc/79/94/60/959799460.db2.gz FWIJFZPNZMMRRI-ISGFRBBESA-N -1 3 225.675 2.154 20 0 BEADHM Cc1cc(-c2cc(N(C)C)ncn2)cc([O-])c1F ZINC001244496154 1169772759 /nfs/dbraw/zinc/77/27/59/1169772759.db2.gz MNFWLPJJEIPSBH-UHFFFAOYSA-N -1 3 247.273 2.363 20 0 BEADHM CCN(CCOC)Cc1ccc([O-])c(F)c1F ZINC001140890084 960044042 /nfs/dbraw/zinc/04/40/42/960044042.db2.gz UOHKAXCHDPBWSD-UHFFFAOYSA-N -1 3 245.269 2.139 20 0 BEADHM CC[C@H](NCCCCC(=O)[O-])c1nccs1 ZINC000234041459 960339247 /nfs/dbraw/zinc/33/92/47/960339247.db2.gz NMYCPANQWVORKP-VIFPVBQESA-N -1 3 242.344 2.439 20 0 BEADHM C[C@H](NCc1cc(C(=O)[O-])co1)[C@H]1CC1(F)F ZINC001353915655 960577862 /nfs/dbraw/zinc/57/78/62/960577862.db2.gz MGGYDOQRASYHPA-IMTBSYHQSA-N -1 3 245.225 2.111 20 0 BEADHM C[C@@]1(CF)CCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC001140944102 960735182 /nfs/dbraw/zinc/73/51/82/960735182.db2.gz QDWRKGGKRIMTEA-LBPRGKRZSA-N -1 3 241.262 2.159 20 0 BEADHM Cc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1O ZINC001211690377 960996082 /nfs/dbraw/zinc/99/60/82/960996082.db2.gz DQZLDVGRQVMPIO-UHFFFAOYSA-N -1 3 249.295 2.229 20 0 BEADHM Cc1ccc(Nc2cnc(C)[n-]c2=O)cc1O ZINC001211695434 961106899 /nfs/dbraw/zinc/10/68/99/961106899.db2.gz BSNAPQGLQYQLOR-UHFFFAOYSA-N -1 3 231.255 2.248 20 0 BEADHM O=C(/C=C/c1ccccc1)Nc1cncc([O-])c1 ZINC001142864384 961806369 /nfs/dbraw/zinc/80/63/69/961806369.db2.gz KHXXSWZOIKVMKD-VOTSOKGWSA-N -1 3 240.262 2.439 20 0 BEADHM CCN(CCOC)Cc1cc(F)c([O-])c(F)c1 ZINC000133263879 962588041 /nfs/dbraw/zinc/58/80/41/962588041.db2.gz NSFZOSYMWXUYED-UHFFFAOYSA-N -1 3 245.269 2.139 20 0 BEADHM O=C([N-]c1cnoc1)c1cc2ncccc2o1 ZINC001153691038 962618953 /nfs/dbraw/zinc/61/89/53/962618953.db2.gz INIVBMOXUODLTQ-UHFFFAOYSA-N -1 3 229.195 2.068 20 0 BEADHM CCCC(CCC)Oc1[n-]c(=O)nnc1C ZINC001226461857 963207402 /nfs/dbraw/zinc/20/74/02/963207402.db2.gz XCMDVYXAQLQMFQ-UHFFFAOYSA-N -1 3 225.292 2.233 20 0 BEADHM O=c1ccc(O[C@@H]2CCc3cc(F)ccc32)n[n-]1 ZINC001227092889 963452575 /nfs/dbraw/zinc/45/25/75/963452575.db2.gz FLBKVAWZEMLSTH-LLVKDONJSA-N -1 3 246.241 2.388 20 0 BEADHM C[C@@H]1CC[C@H](C)[C@H](Oc2ccc(=O)[n-]n2)C1 ZINC001227094702 963453353 /nfs/dbraw/zinc/45/33/53/963453353.db2.gz IPZHCCBRTIYWGF-KXUCPTDWSA-N -1 3 222.288 2.386 20 0 BEADHM C[C@@H](Oc1ccc(=O)[n-]n1)c1ccccc1F ZINC001227093572 963453144 /nfs/dbraw/zinc/45/31/44/963453144.db2.gz OJPULXLMXZMFRL-MRVPVSSYSA-N -1 3 234.230 2.461 20 0 BEADHM O=C(Cc1ccccn1)Nc1ccc(F)c([O-])c1 ZINC001142163554 963734408 /nfs/dbraw/zinc/73/44/08/963734408.db2.gz AKXUBNYHAYPQLE-UHFFFAOYSA-N -1 3 246.241 2.108 20 0 BEADHM CCCc1ccc(NCc2ncccc2[O-])nn1 ZINC001158774872 963923838 /nfs/dbraw/zinc/92/38/38/963923838.db2.gz VWSCMKSLXXFERH-UHFFFAOYSA-N -1 3 244.298 2.142 20 0 BEADHM Cc1cc(Nc2ccc([O-])c(F)c2F)nn1C ZINC001211997961 964145091 /nfs/dbraw/zinc/14/50/91/964145091.db2.gz USIVYWOHSRTSLD-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM Cc1ncc(Nc2cccc3[nH]cnc32)c(=O)[n-]1 ZINC001213029209 964511676 /nfs/dbraw/zinc/51/16/76/964511676.db2.gz IKPKLDYTWOETRE-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM O=c1[n-]c(NCC2COC2)c(Cl)cc1Cl ZINC001161943158 964826543 /nfs/dbraw/zinc/82/65/43/964826543.db2.gz KTAWMMYEJFDMJG-UHFFFAOYSA-N -1 3 249.097 2.152 20 0 BEADHM CC[C@@H]1CC[C@H](C)N1c1nc(C)cc(=O)[n-]1 ZINC001120829498 965425026 /nfs/dbraw/zinc/42/50/26/965425026.db2.gz BRVDYHCDPMEZBW-VHSXEESVSA-N -1 3 221.304 2.258 20 0 BEADHM CO[C@H](C)CCOc1cccc([O-])c1F ZINC001233870501 965597378 /nfs/dbraw/zinc/59/73/78/965597378.db2.gz DPXZXJHIYLJBPN-MRVPVSSYSA-N -1 3 214.236 2.335 20 0 BEADHM [O-]c1cccc(O[C@@H]2CCCOC2)c1F ZINC001233867688 965597669 /nfs/dbraw/zinc/59/76/69/965597669.db2.gz HQFFCVKFUMEMQO-MRVPVSSYSA-N -1 3 212.220 2.089 20 0 BEADHM O=c1[nH][n-]cc1CCCNc1ccc(CF)cc1 ZINC001164375882 965864482 /nfs/dbraw/zinc/86/44/82/965864482.db2.gz WRSYQYUYCNAKLJ-LLVKDONJSA-N -1 3 249.289 2.080 20 0 BEADHM Cc1cccc(C)c1NCCCc1c[n-][nH]c1=O ZINC001164373751 965865834 /nfs/dbraw/zinc/86/58/34/965865834.db2.gz CBISMXSWGISHRZ-GFCCVEGCSA-N -1 3 245.326 2.227 20 0 BEADHM CC1(C)OC[C@@H](Cc2c(F)ccc([O-])c2F)O1 ZINC001250182198 967479267 /nfs/dbraw/zinc/47/92/67/967479267.db2.gz CGAMWKVHMPEAFN-SSDOTTSWSA-N -1 3 244.237 2.364 20 0 BEADHM Cc1cnn(C)c1Nc1cc(F)cc(F)c1[O-] ZINC001212479658 967485086 /nfs/dbraw/zinc/48/50/86/967485086.db2.gz KHHUFCNFDWYFEL-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM Cc1ncn(-c2c(F)ccc([O-])c2Cl)c1N ZINC001250229451 967542138 /nfs/dbraw/zinc/54/21/38/967542138.db2.gz IYULPYWZISZMEP-UHFFFAOYSA-N -1 3 241.653 2.261 20 0 BEADHM Cc1nc(Nc2cnn(CC(C)C)c2)cc(=O)[n-]1 ZINC001205844436 967851846 /nfs/dbraw/zinc/85/18/46/967851846.db2.gz RIYWPVRGVRGGMV-UHFFFAOYSA-N -1 3 247.302 2.087 20 0 BEADHM [O-]c1ccc(-c2ccnc3ccnn32)c(F)c1 ZINC001250479121 967918805 /nfs/dbraw/zinc/91/88/05/967918805.db2.gz FQIDRQQRBBMZRX-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cc1nccnc1-c1ccc([O-])cc1F ZINC001206022080 967981193 /nfs/dbraw/zinc/98/11/93/967981193.db2.gz VIADIBQQHDOJMF-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM COc1cnc(-c2ccc([O-])cc2F)nc1C ZINC001206021903 967982084 /nfs/dbraw/zinc/98/20/84/967982084.db2.gz SXILKVCWTHCPPS-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM CN(C)c1ccc(-c2ccc([O-])cc2F)nn1 ZINC001206022180 967982873 /nfs/dbraw/zinc/98/28/73/967982873.db2.gz VPWPQOLEGXRZSQ-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM CCOc1cncc(-c2ccc([O-])cc2F)n1 ZINC001206022188 967983675 /nfs/dbraw/zinc/98/36/75/967983675.db2.gz VTGOROTVBSKMCK-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM Cn1ccc2c1ncnc2-c1ccc([O-])cc1F ZINC001206022296 967985801 /nfs/dbraw/zinc/98/58/01/967985801.db2.gz XWLASERCSBWUSX-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM Cc1c[nH]c2ncc(Nc3cnc[n-]c3=O)cc12 ZINC001206032867 967991231 /nfs/dbraw/zinc/99/12/31/967991231.db2.gz FOXOLXAZPINHSH-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM Oc1ccc(-c2ccc(=S)[n-]n2)c(F)c1 ZINC001206044473 968007394 /nfs/dbraw/zinc/00/73/94/968007394.db2.gz NDWVLOXSZQZKOU-UHFFFAOYSA-N -1 3 222.244 2.277 20 0 BEADHM [O-]c1ccc(-c2cnc(F)nc2F)c(F)c1 ZINC001206064682 968035658 /nfs/dbraw/zinc/03/56/58/968035658.db2.gz MVCKUMHNPSYRMJ-UHFFFAOYSA-N -1 3 226.157 2.267 20 0 BEADHM COC(=O)c1cnccc1-c1ccc([O-])cc1F ZINC001206072801 968040547 /nfs/dbraw/zinc/04/05/47/968040547.db2.gz HBDRURIJYYJWEF-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM CCOC(=O)c1nc2c(ccc(F)c2C)[n-]1 ZINC001250549415 968055809 /nfs/dbraw/zinc/05/58/09/968055809.db2.gz DFERRYGKVBKRJE-UHFFFAOYSA-N -1 3 222.219 2.187 20 0 BEADHM Fc1cc(-c2ccc(=S)[n-]n2)cc2n[nH]cc21 ZINC001206565617 968387339 /nfs/dbraw/zinc/38/73/39/968387339.db2.gz YRNQPDSSHKOWDD-UHFFFAOYSA-N -1 3 246.270 2.448 20 0 BEADHM CC[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229959146 968431169 /nfs/dbraw/zinc/43/11/69/968431169.db2.gz YNNUZGIWOZFKCL-QMMMGPOBSA-N -1 3 218.260 2.044 20 0 BEADHM CC[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229959146 968431175 /nfs/dbraw/zinc/43/11/75/968431175.db2.gz YNNUZGIWOZFKCL-QMMMGPOBSA-N -1 3 218.260 2.044 20 0 BEADHM CC(C)(CF)NCc1ccc(C(=O)[O-])s1 ZINC001119607673 968432632 /nfs/dbraw/zinc/43/26/32/968432632.db2.gz JTDOAJSOLZHBQO-UHFFFAOYSA-N -1 3 231.292 2.284 20 0 BEADHM CC[C@H](CNCc1nc2ccccc2o1)C(=O)[O-] ZINC001120087041 968533930 /nfs/dbraw/zinc/53/39/30/968533930.db2.gz BOJLBZQENBYPOS-SECBINFHSA-N -1 3 248.282 2.028 20 0 BEADHM CC(C)(O)CNc1nc2c(cccc2[O-])s1 ZINC001252345768 968624196 /nfs/dbraw/zinc/62/41/96/968624196.db2.gz FYAGBQAHBZEFSB-UHFFFAOYSA-N -1 3 238.312 2.185 20 0 BEADHM Cc1nc(-c2cc([O-])cc(F)c2)cc(N(C)C)n1 ZINC001241258005 968963173 /nfs/dbraw/zinc/96/31/73/968963173.db2.gz RIJMFBJMJKLRJU-UHFFFAOYSA-N -1 3 247.273 2.363 20 0 BEADHM Fc1ccc(-c2ccccc2-c2nnn[n-]2)nc1 ZINC001241808468 969120349 /nfs/dbraw/zinc/12/03/49/969120349.db2.gz UDEXRYAILLVUNX-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1ccc(-c2ccccc2-c2nn[n-]n2)nc1 ZINC001241808468 969120353 /nfs/dbraw/zinc/12/03/53/969120353.db2.gz UDEXRYAILLVUNX-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM S=C1Cc2ccc(-c3ccnnc3)cc2[N-]1 ZINC001242068518 969195585 /nfs/dbraw/zinc/19/55/85/969195585.db2.gz QZEUXONBNARBCH-UHFFFAOYSA-N -1 3 227.292 2.439 20 0 BEADHM CN1CCC(=Nc2ncc(Cl)cc2[O-])CC1 ZINC001208742603 969233055 /nfs/dbraw/zinc/23/30/55/969233055.db2.gz VKUODJNFWPMWMY-UHFFFAOYSA-N -1 3 239.706 2.072 20 0 BEADHM [O-]c1cc(F)ccc1-c1cccc2n[nH]nc21 ZINC001242218384 969314418 /nfs/dbraw/zinc/31/44/18/969314418.db2.gz BXUFHCODQWLMNL-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM CCc1cncc(Nc2cc(=O)[n-]c(C)n2)c1 ZINC001209165537 969364062 /nfs/dbraw/zinc/36/40/62/969364062.db2.gz FZYIYRSATIQDEE-UHFFFAOYSA-N -1 3 230.271 2.192 20 0 BEADHM CC(C)[C@H](O)CNc1cc(F)c([O-])c(F)c1 ZINC001253770924 969392775 /nfs/dbraw/zinc/39/27/75/969392775.db2.gz CETINNQZHXPWNH-SNVBAGLBSA-N -1 3 231.242 2.099 20 0 BEADHM Cc1nonc1Nc1ccc(Cl)c([O-])c1 ZINC001212587977 969554840 /nfs/dbraw/zinc/55/48/40/969554840.db2.gz CTVZIFLZGDGHSW-UHFFFAOYSA-N -1 3 225.635 2.481 20 0 BEADHM Cc1ncc(Nc2ccccc2N(C)C)c(=O)[n-]1 ZINC001209992499 969751975 /nfs/dbraw/zinc/75/19/75/969751975.db2.gz ZGBMCYCBTKPPPE-UHFFFAOYSA-N -1 3 244.298 2.300 20 0 BEADHM O=c1[n-]cncc1Nc1ccc2cnccc2c1 ZINC001210046887 969776320 /nfs/dbraw/zinc/77/63/20/969776320.db2.gz XKIPFJNCOZZWIO-UHFFFAOYSA-N -1 3 238.250 2.474 20 0 BEADHM CCCc1cnc(NCc2ncccc2[O-])nc1 ZINC001169726630 969819675 /nfs/dbraw/zinc/81/96/75/969819675.db2.gz AAHPUAAVMISXDZ-UHFFFAOYSA-N -1 3 244.298 2.142 20 0 BEADHM Cc1cccc(Nc2cc(=O)[n-]c(C)n2)c1O ZINC001210187492 969823524 /nfs/dbraw/zinc/82/35/24/969823524.db2.gz LJAKBYSNRRUUPC-UHFFFAOYSA-N -1 3 231.255 2.248 20 0 BEADHM O=c1cc(Nc2cccc(Cl)c2[O-])cn[nH]1 ZINC001210219038 969835866 /nfs/dbraw/zinc/83/58/66/969835866.db2.gz OCXAHWWSYVUGFU-UHFFFAOYSA-N -1 3 237.646 2.285 20 0 BEADHM Cc1ccc(NCc2ncccc2[O-])c(F)n1 ZINC001169732810 969837173 /nfs/dbraw/zinc/83/71/73/969837173.db2.gz MAMDVNNNZSUHNJ-UHFFFAOYSA-N -1 3 233.246 2.242 20 0 BEADHM CC(C)c1ncc(NCc2ncccc2[O-])cn1 ZINC001169737527 969837210 /nfs/dbraw/zinc/83/72/10/969837210.db2.gz UJTWZCXRAAYNTI-UHFFFAOYSA-N -1 3 244.298 2.313 20 0 BEADHM Cc1cc(Nc2ccc(C(N)=O)c([O-])c2)c(C)o1 ZINC001210285326 969851748 /nfs/dbraw/zinc/85/17/48/969851748.db2.gz OSWHZWMYDJEOFC-UHFFFAOYSA-N -1 3 246.266 2.445 20 0 BEADHM Cn1ccc([N-]c2cc(C(C)(C)C)no2)n1 ZINC001210346828 969874667 /nfs/dbraw/zinc/87/46/67/969874667.db2.gz BWTIRKWGDMPEQO-UHFFFAOYSA-N -1 3 220.276 2.449 20 0 BEADHM COC(=O)c1cc(-c2cccc(F)c2[O-])ccn1 ZINC001242350736 969899237 /nfs/dbraw/zinc/89/92/37/969899237.db2.gz JRHZZKPFNDUKSX-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM Cc1nnc([N-]c2ccc3ocnc3c2)o1 ZINC001210570104 969944250 /nfs/dbraw/zinc/94/42/50/969944250.db2.gz LWWOTAOUSOXRCV-UHFFFAOYSA-N -1 3 216.200 2.263 20 0 BEADHM Cc1oncc1Nc1ncc(Cl)cc1[O-] ZINC001210584059 969964421 /nfs/dbraw/zinc/96/44/21/969964421.db2.gz SLKADQLHIKTWBM-UHFFFAOYSA-N -1 3 225.635 2.481 20 0 BEADHM CCOc1cncc([N-]c2nc(C)ns2)c1 ZINC001210660264 969994729 /nfs/dbraw/zinc/99/47/29/969994729.db2.gz AHIWSKAVLCGILB-UHFFFAOYSA-N -1 3 236.300 2.384 20 0 BEADHM [O-]c1ccc(O)cc1-c1nnc(C2CCC2)o1 ZINC001255252446 970015382 /nfs/dbraw/zinc/01/53/82/970015382.db2.gz POKCJHLLKYDHJS-UHFFFAOYSA-N -1 3 232.239 2.415 20 0 BEADHM Cc1nc(-c2ccc([O-])cc2F)ncc1F ZINC001206030230 970031437 /nfs/dbraw/zinc/03/14/37/970031437.db2.gz QOJIEYADTKWXKD-UHFFFAOYSA-N -1 3 222.194 2.436 20 0 BEADHM [O-]c1cc(F)c(Nc2ccncn2)cc1F ZINC001211029086 970115722 /nfs/dbraw/zinc/11/57/22/970115722.db2.gz YBOCVOBHTQTQLE-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM Cc1ccc(-c2nccs2)cc1-c1nnn[n-]1 ZINC001242897851 970134128 /nfs/dbraw/zinc/13/41/28/970134128.db2.gz KUSODMBLDPADQQ-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM Cc1ccc(-c2nccs2)cc1-c1nn[n-]n1 ZINC001242897851 970134135 /nfs/dbraw/zinc/13/41/35/970134135.db2.gz KUSODMBLDPADQQ-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM Clc1ccncc1[N-]c1noc2nccnc12 ZINC001211208107 970168022 /nfs/dbraw/zinc/16/80/22/970168022.db2.gz TVLNSPOJBUCNCJ-UHFFFAOYSA-N -1 3 247.645 2.410 20 0 BEADHM CCOC(=O)c1cccc([N-]c2nnc(C)o2)c1 ZINC001211205075 970168995 /nfs/dbraw/zinc/16/89/95/970168995.db2.gz USTVWITVTOAHRH-UHFFFAOYSA-N -1 3 247.254 2.298 20 0 BEADHM Cc1ncc(Nc2cncc(C)c2C)c(=O)[n-]1 ZINC001213528926 970355637 /nfs/dbraw/zinc/35/56/37/970355637.db2.gz RVTCOVQRMAMCMI-UHFFFAOYSA-N -1 3 230.271 2.246 20 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MUUXVJDBFFEDHR-UHFFFAOYSA-N -1 3 249.310 2.303 20 0 BEADHM O=C([O-])CCCCCCNCc1nccs1 ZINC001334056893 976255771 /nfs/dbraw/zinc/25/57/71/976255771.db2.gz WGOTZQJGFIEKDU-UHFFFAOYSA-N -1 3 242.344 2.268 20 0 BEADHM COc1cc(F)ccc1[N-]c1nnc(C)o1 ZINC001174127839 976365315 /nfs/dbraw/zinc/36/53/15/976365315.db2.gz CGBHOVDCIPPJLH-UHFFFAOYSA-N -1 3 223.207 2.269 20 0 BEADHM C[C@H]1CCC[C@@H]1Oc1nnc(-c2cccnc2)[n-]1 ZINC001228696387 976437574 /nfs/dbraw/zinc/43/75/74/976437574.db2.gz WDDXRZGRJOASFS-ONGXEEELSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H]1CCC[C@@H]1Oc1nc(-c2cccnc2)n[n-]1 ZINC001228696387 976437578 /nfs/dbraw/zinc/43/75/78/976437578.db2.gz WDDXRZGRJOASFS-ONGXEEELSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H]1CCC[C@@H]1Oc1n[n-]c(-c2cccnc2)n1 ZINC001228696387 976437581 /nfs/dbraw/zinc/43/75/81/976437581.db2.gz WDDXRZGRJOASFS-ONGXEEELSA-N -1 3 244.298 2.434 20 0 BEADHM O=c1cc(Nc2cncc(F)c2)nc(C2CC2)[n-]1 ZINC001174288884 976448974 /nfs/dbraw/zinc/44/89/74/976448974.db2.gz DBERZNFEYHZOGF-UHFFFAOYSA-N -1 3 246.245 2.337 20 0 BEADHM O=C(NCCCC(F)F)c1ccccc1[O-] ZINC001334376618 976479373 /nfs/dbraw/zinc/47/93/73/976479373.db2.gz XBHFOPDAUJAVQZ-UHFFFAOYSA-N -1 3 229.226 2.167 20 0 BEADHM Cc1ncc(Nc2ccc3n[nH]cc3c2)c(=O)[n-]1 ZINC001174272272 976496689 /nfs/dbraw/zinc/49/66/89/976496689.db2.gz AZRKZFJCBVMLGI-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM [O-]c1cc(Nc2cncnc2)c(F)cc1F ZINC001174386497 976632178 /nfs/dbraw/zinc/63/21/78/976632178.db2.gz AKKASACHLBBKEK-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM Cc1c(Nc2cc([O-])c(F)cc2F)cnn1C ZINC001174390603 976657710 /nfs/dbraw/zinc/65/77/10/976657710.db2.gz CPEVKYWBXAYYPN-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM O=C([O-])c1cccc(CN2CCCC3(CC3)C2)n1 ZINC000695126477 976782789 /nfs/dbraw/zinc/78/27/89/976782789.db2.gz XTGIDHGCGCAQBQ-UHFFFAOYSA-N -1 3 246.310 2.156 20 0 BEADHM Nc1ccc(Nc2ncc(F)cc2[O-])c(F)c1 ZINC001174481073 976804141 /nfs/dbraw/zinc/80/41/41/976804141.db2.gz XNWYHXPPEKIFNB-UHFFFAOYSA-N -1 3 237.209 2.391 20 0 BEADHM Cc1nc(N[C@@H]2CCOC3(CCC3)C2)cc(=O)[n-]1 ZINC001334950352 976805593 /nfs/dbraw/zinc/80/55/93/976805593.db2.gz GOTVCYCPDYKIQE-SNVBAGLBSA-N -1 3 249.314 2.004 20 0 BEADHM Cc1nc(N[C@H]2CCOC3(CCC3)C2)cc(=O)[n-]1 ZINC001334950348 976805898 /nfs/dbraw/zinc/80/58/98/976805898.db2.gz GOTVCYCPDYKIQE-JTQLQIEISA-N -1 3 249.314 2.004 20 0 BEADHM Cc1cc(O)ccc1Nc1cc(=O)[n-]c(C)n1 ZINC001174559656 976873480 /nfs/dbraw/zinc/87/34/80/976873480.db2.gz KHKQFPLFHVMGMX-UHFFFAOYSA-N -1 3 231.255 2.248 20 0 BEADHM Cc1nc(O[C@H](C)c2ccncc2)c(C)c(=O)[n-]1 ZINC001229684023 976943243 /nfs/dbraw/zinc/94/32/43/976943243.db2.gz SWMVQFZIWZQWRO-SECBINFHSA-N -1 3 245.282 2.334 20 0 BEADHM Cc1nc(O[C@@H]2C=CCCC2)c(C)c(=O)[n-]1 ZINC001229685974 976943736 /nfs/dbraw/zinc/94/37/36/976943736.db2.gz PULIHSGXYJHHKX-SNVBAGLBSA-N -1 3 220.272 2.287 20 0 BEADHM Cc1nc(O[C@@H](C)c2ccccn2)c(C)c(=O)[n-]1 ZINC001229685058 976945310 /nfs/dbraw/zinc/94/53/10/976945310.db2.gz JZRRWGORKQFCGE-VIFPVBQESA-N -1 3 245.282 2.334 20 0 BEADHM Cc1nc(O[C@H]2CCCC[C@H]2F)c(C)c(=O)[n-]1 ZINC001229692990 976949158 /nfs/dbraw/zinc/94/91/58/976949158.db2.gz WSILALHGNFOINN-ZJUUUORDSA-N -1 3 240.278 2.459 20 0 BEADHM Cc1nc(Nc2ccc(O)c(F)c2)cc(=O)[n-]1 ZINC001174733360 976979397 /nfs/dbraw/zinc/97/93/97/976979397.db2.gz IHOQKKFJVPRAJV-UHFFFAOYSA-N -1 3 235.218 2.079 20 0 BEADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001229959259 977039916 /nfs/dbraw/zinc/03/99/16/977039916.db2.gz ZZUIGTSKCHHWLS-VIFPVBQESA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001229959259 977039930 /nfs/dbraw/zinc/03/99/30/977039930.db2.gz ZZUIGTSKCHHWLS-VIFPVBQESA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H]1CCC[C@@H]1Oc1ccccc1-c1nnn[n-]1 ZINC001229955945 977040567 /nfs/dbraw/zinc/04/05/67/977040567.db2.gz BVYLEOCGMAFCED-ONGXEEELSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H]1CCC[C@@H]1Oc1ccccc1-c1nn[n-]n1 ZINC001229955945 977040581 /nfs/dbraw/zinc/04/05/81/977040581.db2.gz BVYLEOCGMAFCED-ONGXEEELSA-N -1 3 244.298 2.434 20 0 BEADHM CCc1nc(O[C@H]2CC[C@@H](C)C2)cc(=O)[n-]1 ZINC000721525694 977074034 /nfs/dbraw/zinc/07/40/34/977074034.db2.gz BZOLYTCXPRSVNF-BDAKNGLRSA-N -1 3 222.288 2.312 20 0 BEADHM COc1ccc(Nc2cnc[n-]c2=O)cc1C ZINC001174827295 977088191 /nfs/dbraw/zinc/08/81/91/977088191.db2.gz BLMHHRQNVYOBHE-UHFFFAOYSA-N -1 3 231.255 2.243 20 0 BEADHM CCOc1ccc(F)cc1Nc1cnc[n-]c1=O ZINC001175078974 977262364 /nfs/dbraw/zinc/26/23/64/977262364.db2.gz BHKQXRSYCWTPMD-UHFFFAOYSA-N -1 3 249.245 2.464 20 0 BEADHM CC(C)(C)c1n[n-]c(=Nc2ccncc2F)o1 ZINC001175196443 977294344 /nfs/dbraw/zinc/29/43/44/977294344.db2.gz CYHFVSANQFNQDX-UHFFFAOYSA-N -1 3 236.250 2.067 20 0 BEADHM CC(C)(C)c1nnc([N-]c2ccncc2F)o1 ZINC001175196443 977294358 /nfs/dbraw/zinc/29/43/58/977294358.db2.gz CYHFVSANQFNQDX-UHFFFAOYSA-N -1 3 236.250 2.067 20 0 BEADHM CC(=O)c1ccc(Nc2cnc[n-]c2=O)cc1F ZINC001175229000 977337207 /nfs/dbraw/zinc/33/72/07/977337207.db2.gz QQJGQSFMWBUBBI-UHFFFAOYSA-N -1 3 247.229 2.268 20 0 BEADHM Cn1nccc1Nc1c(F)ccc([O-])c1F ZINC001175261813 977358891 /nfs/dbraw/zinc/35/88/91/977358891.db2.gz QXAYOWDAJSBAGK-UHFFFAOYSA-N -1 3 225.198 2.148 20 0 BEADHM COc1cc(Nc2cnc[n-]c2=O)ccc1F ZINC001175396561 977386384 /nfs/dbraw/zinc/38/63/84/977386384.db2.gz MVMMLIKGJKCDGA-UHFFFAOYSA-N -1 3 235.218 2.074 20 0 BEADHM COc1cc(Nc2cnc(C)[n-]c2=O)ccc1F ZINC001175396608 977392316 /nfs/dbraw/zinc/39/23/16/977392316.db2.gz PCRPEJZYCGXMLR-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM O=c1nc2cccc(F)c2c(OC2CCC2)[n-]1 ZINC001231075592 977463728 /nfs/dbraw/zinc/46/37/28/977463728.db2.gz GJPMDKVYQJMUMQ-UHFFFAOYSA-N -1 3 234.230 2.406 20 0 BEADHM C[C@H](Oc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001231116924 977487564 /nfs/dbraw/zinc/48/75/64/977487564.db2.gz UFZORRBAJCWCPP-QMMMGPOBSA-N -1 3 230.271 2.044 20 0 BEADHM C[C@H](Oc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001231116924 977487573 /nfs/dbraw/zinc/48/75/73/977487573.db2.gz UFZORRBAJCWCPP-QMMMGPOBSA-N -1 3 230.271 2.044 20 0 BEADHM C[C@H]1CCC[C@@H]1Oc1cccc(-c2nnn[n-]2)c1 ZINC001231116857 977490374 /nfs/dbraw/zinc/49/03/74/977490374.db2.gz SHSXNRJCMRJEQE-CABZTGNLSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H]1CCC[C@@H]1Oc1cccc(-c2nn[n-]n2)c1 ZINC001231116857 977490389 /nfs/dbraw/zinc/49/03/89/977490389.db2.gz SHSXNRJCMRJEQE-CABZTGNLSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H]1CC[C@H](Oc2cccc(-c3nnn[n-]3)c2)C1 ZINC001231118813 977491145 /nfs/dbraw/zinc/49/11/45/977491145.db2.gz WZDGGEFJQWEDAZ-CABZTGNLSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H]1CC[C@H](Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001231118813 977491154 /nfs/dbraw/zinc/49/11/54/977491154.db2.gz WZDGGEFJQWEDAZ-CABZTGNLSA-N -1 3 244.298 2.434 20 0 BEADHM [O-]c1cc(F)cnc1Nc1ccc(CO)cc1 ZINC001175562665 977545547 /nfs/dbraw/zinc/54/55/47/977545547.db2.gz RBCRBCQDRJPSDG-UHFFFAOYSA-N -1 3 234.230 2.162 20 0 BEADHM CSc1ccc(CN(C)CCCC(=O)[O-])o1 ZINC001594194107 977549613 /nfs/dbraw/zinc/54/96/13/977549613.db2.gz CGIXIKXYUVURBJ-UHFFFAOYSA-N -1 3 243.328 2.298 20 0 BEADHM CN1CCC=C(Nc2cc([O-])c(F)c(F)c2)C1 ZINC001175580436 977596426 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UHFQTDPHUULMOQ-LBPRGKRZSA-N -1 3 248.257 2.069 20 0 BEADHM O=C([O-])[C@H](NCc1cc[nH]c1)c1ccc(F)cc1 ZINC001594844295 977849578 /nfs/dbraw/zinc/84/95/78/977849578.db2.gz UHFQTDPHUULMOQ-GFCCVEGCSA-N -1 3 248.257 2.069 20 0 BEADHM Cc1cc(=O)[n-]c(NCC2=CCCC2)n1 ZINC001336695250 977862794 /nfs/dbraw/zinc/86/27/94/977862794.db2.gz JKVFBQUNTVBLNI-UHFFFAOYSA-N -1 3 205.261 2.013 20 0 BEADHM Cc1cc(=O)[n-]c(N(C)[C@@H](C)c2ccccn2)n1 ZINC001337008953 978125330 /nfs/dbraw/zinc/12/53/30/978125330.db2.gz JBACCJLYIAIYGR-JTQLQIEISA-N -1 3 244.298 2.083 20 0 BEADHM Cc1cc(=O)[n-]c(N(C)CCc2cccs2)n1 ZINC001337049882 978142689 /nfs/dbraw/zinc/14/26/89/978142689.db2.gz SMAHPJZMERVMCZ-UHFFFAOYSA-N -1 3 249.339 2.231 20 0 BEADHM CCOc1cc([N-]c2ncco2)c(F)cn1 ZINC001176600220 978144224 /nfs/dbraw/zinc/14/42/24/978144224.db2.gz APUDKMVNVKTTQN-UHFFFAOYSA-N -1 3 223.207 2.351 20 0 BEADHM Cc1cc(=O)[n-]c(NCCCCOC(C)C)n1 ZINC001337107859 978159958 /nfs/dbraw/zinc/15/99/58/978159958.db2.gz JHLNCVVTMSYHSF-UHFFFAOYSA-N -1 3 239.319 2.108 20 0 BEADHM CCN(C)Cc1ccc(F)c([O-])c1F ZINC001232933996 978340053 /nfs/dbraw/zinc/34/00/53/978340053.db2.gz UOGXUNYTARSPIN-UHFFFAOYSA-N -1 3 201.216 2.122 20 0 BEADHM CC[C@@H]1C[C@H](CC(=O)[N-]OC(C)(C)C)CCO1 ZINC001337566351 978408706 /nfs/dbraw/zinc/40/87/06/978408706.db2.gz JDTFQQHGOJRPBU-GHMZBOCLSA-N -1 3 243.347 2.428 20 0 BEADHM CN(Cc1cccc([O-])c1F)CC(F)F ZINC001233054995 978447175 /nfs/dbraw/zinc/44/71/75/978447175.db2.gz IULVFQYDRQGUTA-UHFFFAOYSA-N -1 3 219.206 2.228 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCC[C@@H]2C2CCC2)n1 ZINC001337768431 978490233 /nfs/dbraw/zinc/49/02/33/978490233.db2.gz HPBCNJRANKDSBW-LLVKDONJSA-N -1 3 233.315 2.260 20 0 BEADHM COc1ccc(CN2CCCO2)c(Cl)c1[O-] ZINC001233397934 978598587 /nfs/dbraw/zinc/59/85/87/978598587.db2.gz QYDAXKPPHXHKEW-UHFFFAOYSA-N -1 3 243.690 2.192 20 0 BEADHM [O-]c1ccc(F)c(CN2C[C@@H](F)[C@@H](F)C2)c1F ZINC001233393903 978599883 /nfs/dbraw/zinc/59/98/83/978599883.db2.gz QRQSQFIOFOHMLT-DTORHVGOSA-N -1 3 249.207 2.162 20 0 BEADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1COC[C@H]1F ZINC001233593125 978639686 /nfs/dbraw/zinc/63/96/86/978639686.db2.gz ULLLIOIJZSPPSI-LDYMZIIASA-N -1 3 246.665 2.470 20 0 BEADHM O=C(C=C1CCC1)Nc1n[n-]c(-c2ccco2)n1 ZINC001338252920 978641439 /nfs/dbraw/zinc/64/14/39/978641439.db2.gz MBCXNWZXDRPWQA-UHFFFAOYSA-N -1 3 244.254 2.114 20 0 BEADHM Cc1cc([O-])c(Cl)cc1OC[C@H]1COCO1 ZINC001233593710 978642937 /nfs/dbraw/zinc/64/29/37/978642937.db2.gz YUSBEHJGHLEYLM-MRVPVSSYSA-N -1 3 244.674 2.106 20 0 BEADHM CC=CC=CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001338252203 978644128 /nfs/dbraw/zinc/64/41/28/978644128.db2.gz HIJQUGBOUPGPQW-AOGGBPEJSA-N -1 3 244.254 2.136 20 0 BEADHM [O-]c1coc2ccc(OC[C@@H]3CCCCO3)cc12 ZINC001233678601 978671871 /nfs/dbraw/zinc/67/18/71/978671871.db2.gz VUEMQQKYRMZIIS-NSHDSACASA-N -1 3 248.278 2.210 20 0 BEADHM [O-]c1coc2ccc(OC3CCC3)cc12 ZINC001233678502 978671897 /nfs/dbraw/zinc/67/18/97/978671897.db2.gz UQGKRRHTGFFBSA-UHFFFAOYSA-N -1 3 204.225 2.193 20 0 BEADHM C[C@H]1COCC[C@H]1Oc1ccc2occ([O-])c2c1 ZINC001233679217 978672558 /nfs/dbraw/zinc/67/25/58/978672558.db2.gz AGVODQIECDHOCR-TVQRCGJNSA-N -1 3 248.278 2.066 20 0 BEADHM Cc1cc(CN[C@@H](C)c2ccc[nH]2)[nH]c1C(=O)[O-] ZINC001600202852 978677763 /nfs/dbraw/zinc/67/77/63/978677763.db2.gz ALGSFERXWPAVRM-VIFPVBQESA-N -1 3 247.298 2.200 20 0 BEADHM COC(C[C@H](C)Oc1cccc([O-])c1F)OC ZINC001233871443 978719723 /nfs/dbraw/zinc/71/97/23/978719723.db2.gz NYXDNBSPGFLZGW-QMMMGPOBSA-N -1 3 244.262 2.308 20 0 BEADHM CCO[C@H](C)COc1cccc([O-])c1F ZINC001233870520 978719887 /nfs/dbraw/zinc/71/98/87/978719887.db2.gz FJXKHXGLLXITCM-MRVPVSSYSA-N -1 3 214.236 2.335 20 0 BEADHM [O-]c1cccc(O[C@@H]2CCOC[C@@H]2F)c1F ZINC001233869951 978720903 /nfs/dbraw/zinc/72/09/03/978720903.db2.gz PWLRDMRXPAXVPH-IONNQARKSA-N -1 3 230.210 2.037 20 0 BEADHM CCOC(=O)[C@H](CC)Oc1cccc([O-])c1F ZINC001233871398 978721332 /nfs/dbraw/zinc/72/13/32/978721332.db2.gz MZJWDAVWQMJISW-VIFPVBQESA-N -1 3 242.246 2.252 20 0 BEADHM Cc1oc(C(=O)[O-])cc1CN(C1CC1)C1CC1 ZINC001600828862 978738392 /nfs/dbraw/zinc/73/83/92/978738392.db2.gz IKHGYWPXZQCCIL-UHFFFAOYSA-N -1 3 235.283 2.413 20 0 BEADHM Cc1oc(CN[C@@H]2C[C@H]2C(C)C)cc1C(=O)[O-] ZINC001600854223 978740060 /nfs/dbraw/zinc/74/00/60/978740060.db2.gz FGLNHAXVITULDT-CMPLNLGQSA-N -1 3 237.299 2.420 20 0 BEADHM CN1CC[C@H](Oc2c(Cl)ccc([O-])c2F)C1 ZINC001234264949 978807643 /nfs/dbraw/zinc/80/76/43/978807643.db2.gz ULEVQFOKRAVONZ-ZETCQYMHSA-N -1 3 245.681 2.268 20 0 BEADHM COC(=O)[C@@H](C)Oc1c(Cl)ccc([O-])c1F ZINC001234264373 978807776 /nfs/dbraw/zinc/80/77/76/978807776.db2.gz QYVUUBVLSFUORI-RXMQYKEDSA-N -1 3 248.637 2.125 20 0 BEADHM C[C@H](CC(=O)Nc1cncc([O-])c1)C(F)(F)F ZINC001180081406 978814895 /nfs/dbraw/zinc/81/48/95/978814895.db2.gz JQAHODYDFFLBSS-ZCFIWIBFSA-N -1 3 248.204 2.314 20 0 BEADHM O=C([O-])[C@@H](N[C@@H]1C=CCC1)c1ccccc1F ZINC001601668655 978829128 /nfs/dbraw/zinc/82/91/28/978829128.db2.gz OSRWTJIPFGWLHZ-SKDRFNHKSA-N -1 3 235.258 2.260 20 0 BEADHM [O-]c1cccc2[nH]c(O[C@@H]3C[C@H]4C[C@H]4C3)nc21 ZINC001234445782 978836831 /nfs/dbraw/zinc/83/68/31/978836831.db2.gz BWUOQFPWCQFBPE-AYMMMOKOSA-N -1 3 230.267 2.446 20 0 BEADHM O=C1CC(Oc2c([O-])cc(Cl)cc2F)C1 ZINC001234448533 978838726 /nfs/dbraw/zinc/83/87/26/978838726.db2.gz UEJXWWJZQCNIHE-UHFFFAOYSA-N -1 3 230.622 2.295 20 0 BEADHM [O-]c1cccc2[nH]c(O[C@H]3C=CCC3)nc21 ZINC001234448817 978838786 /nfs/dbraw/zinc/83/87/86/978838786.db2.gz ZSGLJFAGMIAUKH-QMMMGPOBSA-N -1 3 216.240 2.366 20 0 BEADHM C[C@H]1COCC[C@H]1Oc1nc2c(cccc2[O-])[nH]1 ZINC001234450588 978840052 /nfs/dbraw/zinc/84/00/52/978840052.db2.gz BBTYQULBZHJMSS-GZMMTYOYSA-N -1 3 248.282 2.072 20 0 BEADHM O=C([O-])/C=C/c1ccc(CN2CC[C@@H]2C2CC2)o1 ZINC001601880376 978860002 /nfs/dbraw/zinc/86/00/02/978860002.db2.gz XAAVDYQTXZTYRU-URWSZGRFSA-N -1 3 247.294 2.362 20 0 BEADHM O=C([O-])CCN1CC[C@](F)(c2ccccc2)C1 ZINC001602009607 978881723 /nfs/dbraw/zinc/88/17/23/978881723.db2.gz KFLVJEKROPUFJD-CYBMUJFWSA-N -1 3 237.274 2.032 20 0 BEADHM CO[C@H](C)CCOc1nc2ccsc2[n-]1 ZINC001234846506 978913583 /nfs/dbraw/zinc/91/35/83/978913583.db2.gz CNHRCZKHRUOYOM-SSDOTTSWSA-N -1 3 226.301 2.428 20 0 BEADHM CO[C@H](C)CCOc1nc2sccc2[n-]1 ZINC001234846506 978913587 /nfs/dbraw/zinc/91/35/87/978913587.db2.gz CNHRCZKHRUOYOM-SSDOTTSWSA-N -1 3 226.301 2.428 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2C[C@H]3CCC[C@@H]32)n1 ZINC001339843438 978922429 /nfs/dbraw/zinc/92/24/29/978922429.db2.gz QVGQVPVRNRHCAA-KXUCPTDWSA-N -1 3 219.288 2.091 20 0 BEADHM CC[C@@H](C)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234905198 978930442 /nfs/dbraw/zinc/93/04/42/978930442.db2.gz BNMAYBBOAICRJF-SSDOTTSWSA-N -1 3 240.328 2.398 20 0 BEADHM O=C([O-])c1ccc(CN2C[C@H]3CCCC[C@H]32)[nH]1 ZINC001602339791 979106964 /nfs/dbraw/zinc/10/69/64/979106964.db2.gz JUPQIANZAKCUMK-BXKDBHETSA-N -1 3 234.299 2.087 20 0 BEADHM O=C([O-])c1ccc(CN[C@@H]2CCCC[C@@H]2F)[nH]1 ZINC001602350301 979112218 /nfs/dbraw/zinc/11/22/18/979112218.db2.gz FGNODYGRHQVOGB-VHSXEESVSA-N -1 3 240.278 2.083 20 0 BEADHM [O-]c1cc(Cl)cc(-c2cncc3nncn32)c1 ZINC001235905333 979196396 /nfs/dbraw/zinc/19/63/96/979196396.db2.gz YIAJEWIQQOUQBG-UHFFFAOYSA-N -1 3 246.657 2.150 20 0 BEADHM Cn1ccc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235903313 979198703 /nfs/dbraw/zinc/19/87/03/979198703.db2.gz FHAVHTUXHZDDKD-UHFFFAOYSA-N -1 3 208.648 2.446 20 0 BEADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001602745426 979211393 /nfs/dbraw/zinc/21/13/93/979211393.db2.gz FFROQCRCIFHWPG-VURMDHGXSA-N -1 3 249.277 2.432 20 0 BEADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001602745426 979211400 /nfs/dbraw/zinc/21/14/00/979211400.db2.gz FFROQCRCIFHWPG-VURMDHGXSA-N -1 3 249.277 2.432 20 0 BEADHM CC1(C)C[C@@H]1NCc1ccc(/C=C/C(=O)[O-])o1 ZINC001604552760 979674084 /nfs/dbraw/zinc/67/40/84/979674084.db2.gz BOKJHGISZPFNIJ-QRGHLMKCSA-N -1 3 235.283 2.266 20 0 BEADHM C[C@H]1CN(Cc2ccc(F)c([O-])c2)CCCO1 ZINC001236703269 979696932 /nfs/dbraw/zinc/69/69/32/979696932.db2.gz MQBKXDZGIUVTKC-JTQLQIEISA-N -1 3 239.290 2.142 20 0 BEADHM C[C@@H]1CN(Cc2ccc(F)c([O-])c2)C[C@@H](C)O1 ZINC001236703748 979698165 /nfs/dbraw/zinc/69/81/65/979698165.db2.gz QNUAFAICSNCULZ-NXEZZACHSA-N -1 3 239.290 2.141 20 0 BEADHM CC1(C)CN(Cc2ccc(F)c([O-])c2)C1 ZINC001236700972 979698619 /nfs/dbraw/zinc/69/86/19/979698619.db2.gz AABTXSAUORGCLF-UHFFFAOYSA-N -1 3 209.264 2.373 20 0 BEADHM CC[C@@H]1CCN1Cc1cc(C(=O)[O-])c(C)n1C ZINC001605171912 979830683 /nfs/dbraw/zinc/83/06/83/979830683.db2.gz OSLQXPAWAYGXLC-SNVBAGLBSA-N -1 3 236.315 2.016 20 0 BEADHM CN(Cc1ccon1)Cc1occc1[S-] ZINC001237190941 979839996 /nfs/dbraw/zinc/83/99/96/979839996.db2.gz KVDPBXWUWYSMJD-UHFFFAOYSA-N -1 3 224.285 2.188 20 0 BEADHM [O-]c1cc(F)cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001237278435 979858736 /nfs/dbraw/zinc/85/87/36/979858736.db2.gz XXSORCRNLFPFRK-TVYUQYBPSA-N -1 3 239.265 2.321 20 0 BEADHM CCN(CCSC)Cc1ccc(C(=O)[O-])o1 ZINC001605453805 979877255 /nfs/dbraw/zinc/87/72/55/979877255.db2.gz YCMRZUDTGLSCIE-UHFFFAOYSA-N -1 3 243.328 2.163 20 0 BEADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@@H]1C[C@@H]1C ZINC001605543449 979889479 /nfs/dbraw/zinc/88/94/79/979889479.db2.gz QNBCINWLRBVSLS-KWQFWETISA-N -1 3 244.298 2.210 20 0 BEADHM Cc1cn(CCCCCF)cc1-c1nnn[n-]1 ZINC001605969496 979938312 /nfs/dbraw/zinc/93/83/12/979938312.db2.gz KLRJIMNLVRORKD-UHFFFAOYSA-N -1 3 237.282 2.116 20 0 BEADHM Cc1cn(CCCCCF)cc1-c1nn[n-]n1 ZINC001605969496 979938318 /nfs/dbraw/zinc/93/83/18/979938318.db2.gz KLRJIMNLVRORKD-UHFFFAOYSA-N -1 3 237.282 2.116 20 0 BEADHM CCCCC1(NC(=O)c2ccc(N)cc2[O-])CC1 ZINC001342914737 979939119 /nfs/dbraw/zinc/93/91/19/979939119.db2.gz MXEIPEKPFDXARK-UHFFFAOYSA-N -1 3 248.326 2.427 20 0 BEADHM c1cc(-c2nnn[n-]2)ccc1CC1CCC1 ZINC001250140882 979951407 /nfs/dbraw/zinc/95/14/07/979951407.db2.gz JYRFDAHZOQGWBF-UHFFFAOYSA-N -1 3 214.272 2.209 20 0 BEADHM c1cc(-c2nn[n-]n2)ccc1CC1CCC1 ZINC001250140882 979951416 /nfs/dbraw/zinc/95/14/16/979951416.db2.gz JYRFDAHZOQGWBF-UHFFFAOYSA-N -1 3 214.272 2.209 20 0 BEADHM FC(F)(F)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001250146470 980015286 /nfs/dbraw/zinc/01/52/86/980015286.db2.gz OORFUCIYURIRBD-UHFFFAOYSA-N -1 3 242.204 2.362 20 0 BEADHM FC(F)(F)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001250146470 980015294 /nfs/dbraw/zinc/01/52/94/980015294.db2.gz OORFUCIYURIRBD-UHFFFAOYSA-N -1 3 242.204 2.362 20 0 BEADHM CC[C@@H](C)C(=O)C(=O)Nc1ccc(F)c([O-])c1 ZINC001184319695 980019228 /nfs/dbraw/zinc/01/92/28/980019228.db2.gz BRPXFRQYCPHKRJ-SSDOTTSWSA-N -1 3 239.246 2.085 20 0 BEADHM Cc1cc(C)c(CN[C@H](CF)C(=O)[O-])cc1C ZINC001607619873 980118056 /nfs/dbraw/zinc/11/80/56/980118056.db2.gz KQDDWQBFWLPSLP-GFCCVEGCSA-N -1 3 239.290 2.124 20 0 BEADHM [O-]c1c(F)cc(F)c(CCN2CCCC2)c1F ZINC001250166832 980128225 /nfs/dbraw/zinc/12/82/25/980128225.db2.gz SNHQKWFMQRRBNA-UHFFFAOYSA-N -1 3 245.244 2.448 20 0 BEADHM Cc1nc(NC(=O)[C@@H]2CCC(C)(C)C2)cc(=O)[n-]1 ZINC001185155908 980193413 /nfs/dbraw/zinc/19/34/13/980193413.db2.gz KLYRYWOSRNQKMJ-SECBINFHSA-N -1 3 249.314 2.255 20 0 BEADHM CC(C)O[N-]C(=O)CCc1ccc2c(c1)CCO2 ZINC001344389512 980385480 /nfs/dbraw/zinc/38/54/80/980385480.db2.gz GWTLRHIGTVBNLT-UHFFFAOYSA-N -1 3 249.310 2.010 20 0 BEADHM NCc1cccc(-c2ccc(C(=O)[O-])cc2F)n1 ZINC001239245441 980501263 /nfs/dbraw/zinc/50/12/63/980501263.db2.gz NIQLRZMUHAWZCL-UHFFFAOYSA-N -1 3 246.241 2.045 20 0 BEADHM Cc1ccc([O-])c(NC(=O)NCc2ccco2)n1 ZINC001188142595 980602005 /nfs/dbraw/zinc/60/20/05/980602005.db2.gz CVYHOZJOLSANMK-UHFFFAOYSA-N -1 3 247.254 2.010 20 0 BEADHM Cc1cc(F)c(CNC[C@@H](C)C(=O)[O-])c(F)c1 ZINC001345632090 980653424 /nfs/dbraw/zinc/65/34/24/980653424.db2.gz FQISYLXZSCKLEP-MRVPVSSYSA-N -1 3 243.253 2.084 20 0 BEADHM CC(=O)Nc1cccc(-c2ccc(=S)[n-]n2)c1 ZINC001239527808 980702434 /nfs/dbraw/zinc/70/24/34/980702434.db2.gz GCDGIHCNQJEUMO-UHFFFAOYSA-N -1 3 245.307 2.391 20 0 BEADHM CCCCNC(=O)Nc1cc(F)ccc1[O-] ZINC001190615372 980889720 /nfs/dbraw/zinc/88/97/20/980889720.db2.gz ZGKNNEVKPJLVIU-UHFFFAOYSA-N -1 3 226.251 2.453 20 0 BEADHM CCCCNC(=O)Nc1nc(C)ccc1[O-] ZINC001190586752 980891559 /nfs/dbraw/zinc/89/15/59/980891559.db2.gz VQDRVJLVEAMRCF-UHFFFAOYSA-N -1 3 223.276 2.017 20 0 BEADHM C1=C(c2ccc(Cc3nnn[n-]3)cc2)CCC1 ZINC001239788387 980924439 /nfs/dbraw/zinc/92/44/39/980924439.db2.gz CNCUSRULGITKSW-UHFFFAOYSA-N -1 3 226.283 2.358 20 0 BEADHM C1=C(c2ccc(Cc3nn[n-]n3)cc2)CCC1 ZINC001239788387 980924446 /nfs/dbraw/zinc/92/44/46/980924446.db2.gz CNCUSRULGITKSW-UHFFFAOYSA-N -1 3 226.283 2.358 20 0 BEADHM CC(C)[C@@H](C)NC(=O)c1ccc(=O)[n-]c1Cl ZINC001190903153 980948895 /nfs/dbraw/zinc/94/88/95/980948895.db2.gz RCXZMTXBTBKOPU-SSDOTTSWSA-N -1 3 242.706 2.215 20 0 BEADHM CC[C@@H]1CCN1Cc1ccsc1C(=O)[O-] ZINC001595467510 981155554 /nfs/dbraw/zinc/15/55/54/981155554.db2.gz FVRYWTXSOZCLJB-SECBINFHSA-N -1 3 225.313 2.431 20 0 BEADHM Cc1cc(=O)[n-]c(N(C)Cc2ccsc2)n1 ZINC001347868069 981201081 /nfs/dbraw/zinc/20/10/81/981201081.db2.gz WMYLVOFGEYDESG-UHFFFAOYSA-N -1 3 235.312 2.189 20 0 BEADHM Cn1cc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001240297642 981253169 /nfs/dbraw/zinc/25/31/69/981253169.db2.gz MGUQTKRDWKRIAX-UHFFFAOYSA-N -1 3 229.308 2.383 20 0 BEADHM O=C(OCC[C@H]1CCOC1)c1cc2occc2[n-]1 ZINC001348045907 981258302 /nfs/dbraw/zinc/25/83/02/981258302.db2.gz IWBADBKKDQAAKA-SECBINFHSA-N -1 3 249.266 2.344 20 0 BEADHM CCOc1ncccc1-c1ccc(=S)[n-]n1 ZINC001240493403 981414029 /nfs/dbraw/zinc/41/40/29/981414029.db2.gz YUXYCTWZSBARMM-UHFFFAOYSA-N -1 3 233.296 2.226 20 0 BEADHM CCCCCOC(=O)Nc1cnc(C)[n-]c1=O ZINC001193747179 981439878 /nfs/dbraw/zinc/43/98/78/981439878.db2.gz FHQZBRMMJSLAEA-UHFFFAOYSA-N -1 3 239.275 2.229 20 0 BEADHM Cc1ccc(C(=O)Nc2ccc(F)c([O-])c2)[nH]1 ZINC001193909338 981508536 /nfs/dbraw/zinc/50/85/36/981508536.db2.gz ONZSURHMIRLMHQ-UHFFFAOYSA-N -1 3 234.230 2.420 20 0 BEADHM CSc1cc(C(=O)[N-]c2nncs2)co1 ZINC001349192644 981518856 /nfs/dbraw/zinc/51/88/56/981518856.db2.gz QKMYXUPNOJOVLF-UHFFFAOYSA-N -1 3 241.297 2.105 20 0 BEADHM Cc1cc(O)cc([O-])c1C(=O)N[C@H]1CC12CCC2 ZINC001193946728 981531275 /nfs/dbraw/zinc/53/12/75/981531275.db2.gz ZCFRLSOFIJLZLI-NSHDSACASA-N -1 3 247.294 2.079 20 0 BEADHM Nc1ccnc(-c2cc(F)ccc2[O-])c1 ZINC001240693912 981600538 /nfs/dbraw/zinc/60/05/38/981600538.db2.gz HFCOIXKEMZLQPW-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM Cn1cnc2ccnc(-c3ccc([O-])c(F)c3)c21 ZINC001240782019 981818813 /nfs/dbraw/zinc/81/88/13/981818813.db2.gz OLXAATIHIBPWCG-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM O=C1Cc2cnc(-c3ccc([O-])c(F)c3)cc2N1 ZINC001240782359 981820095 /nfs/dbraw/zinc/82/00/95/981820095.db2.gz XDRILQDQVVMDBY-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM COC(=O)c1ccnc(-c2ccc([O-])c(F)c2)c1 ZINC001240782599 981820833 /nfs/dbraw/zinc/82/08/33/981820833.db2.gz BLUWIDAENDIQRI-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM [O-]c1ccc(-c2ccc3nc[nH]c3n2)cc1F ZINC001240783804 981822353 /nfs/dbraw/zinc/82/23/53/981822353.db2.gz XVULZXCFDBHFFS-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM [O-]c1ccc(-c2cc3nc[nH]c3cn2)cc1F ZINC001240783208 981823930 /nfs/dbraw/zinc/82/39/30/981823930.db2.gz PCIUSBHOLFDMFZ-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM NC(=O)c1ccc(-c2ccc([O-])c(F)c2)cc1F ZINC001240786311 981827653 /nfs/dbraw/zinc/82/76/53/981827653.db2.gz FZFRIUVXDDSBIR-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM CCn1cc(-c2ccc([O-])c(F)c2)ccc1=O ZINC001240786378 981828016 /nfs/dbraw/zinc/82/80/16/981828016.db2.gz JMEFDIXDFHSERE-UHFFFAOYSA-N -1 3 233.242 2.380 20 0 BEADHM Cc1ncc(-c2ccc([O-])c(F)c2)cn1 ZINC001240785869 981829597 /nfs/dbraw/zinc/82/95/97/981829597.db2.gz QWSBYPMTKGYABX-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM O=C1NCc2c1cccc2-c1ccc([O-])c(F)c1 ZINC001240786009 981830109 /nfs/dbraw/zinc/83/01/09/981830109.db2.gz YZGGGKDUDGMHKH-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM [O-]c1ccc(-c2cccc3ncnn32)cc1F ZINC001240787188 981831760 /nfs/dbraw/zinc/83/17/60/981831760.db2.gz PXVALZRKJZEUMQ-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM NC(=O)Cc1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240787014 981832842 /nfs/dbraw/zinc/83/28/42/981832842.db2.gz GWKUQIUUQKUJLD-UHFFFAOYSA-N -1 3 245.253 2.226 20 0 BEADHM O=C(CCc1ccoc1)[N-]Oc1ccc(F)cc1 ZINC001584003732 981851355 /nfs/dbraw/zinc/85/13/55/981851355.db2.gz CGAVGLJLHXPWCM-UHFFFAOYSA-N -1 3 249.241 2.462 20 0 BEADHM CCOC(=O)c1nccnc1-c1ccccc1[O-] ZINC001241003410 982090022 /nfs/dbraw/zinc/09/00/22/982090022.db2.gz LMDQHDDBEVLVIR-UHFFFAOYSA-N -1 3 244.250 2.026 20 0 BEADHM NC(=S)c1cccnc1-c1ccccc1[O-] ZINC001241007464 982095265 /nfs/dbraw/zinc/09/52/65/982095265.db2.gz CJUKPGMQSOQSGN-UHFFFAOYSA-N -1 3 230.292 2.088 20 0 BEADHM [O-]c1ccccc1-c1ccc(-n2ccnc2)nn1 ZINC001241008128 982096324 /nfs/dbraw/zinc/09/63/24/982096324.db2.gz KQCOJCHBVHOVOG-UHFFFAOYSA-N -1 3 238.250 2.035 20 0 BEADHM [O-]c1ccccc1-c1ncnc2sncc21 ZINC001241008139 982096977 /nfs/dbraw/zinc/09/69/77/982096977.db2.gz LBJYGGKLFOUUIO-UHFFFAOYSA-N -1 3 229.264 2.459 20 0 BEADHM COc1nc(C)nc(-c2ccccc2[O-])c1C ZINC001241007841 982097415 /nfs/dbraw/zinc/09/74/15/982097415.db2.gz ARJPFNAQINSFFV-UHFFFAOYSA-N -1 3 230.267 2.475 20 0 BEADHM Cc1cc(-c2ccccc2[O-])nnc1C ZINC001241007675 982097874 /nfs/dbraw/zinc/09/78/74/982097874.db2.gz ILYCYDDLXYLWAF-UHFFFAOYSA-N -1 3 200.241 2.466 20 0 BEADHM CCN(C)c1cc(-c2ccccc2[O-])ncn1 ZINC001241007708 982098254 /nfs/dbraw/zinc/09/82/54/982098254.db2.gz JZOCMISJRSQATM-UHFFFAOYSA-N -1 3 229.283 2.305 20 0 BEADHM CN(C)C(=O)c1ccnc(-c2ccccc2[O-])c1 ZINC001241007672 982098272 /nfs/dbraw/zinc/09/82/72/982098272.db2.gz IIVTYARMCZYBFS-UHFFFAOYSA-N -1 3 242.278 2.156 20 0 BEADHM [O-]c1ccccc1-c1cncc(-n2ccnc2)n1 ZINC001241008845 982098951 /nfs/dbraw/zinc/09/89/51/982098951.db2.gz VXFURAXJOSDSNE-UHFFFAOYSA-N -1 3 238.250 2.035 20 0 BEADHM Cc1cn2cc(-c3ccccc3[O-])ncc2n1 ZINC001241013931 982105902 /nfs/dbraw/zinc/10/59/02/982105902.db2.gz OZYCNRXHXGABEC-UHFFFAOYSA-N -1 3 225.251 2.410 20 0 BEADHM CN(C(=O)c1ccc(Cl)[n-]c1=O)C(C)(C)C ZINC001195135236 982108670 /nfs/dbraw/zinc/10/86/70/982108670.db2.gz RTTKFVNJDLRQFG-UHFFFAOYSA-N -1 3 242.706 2.311 20 0 BEADHM Cc1ccc(-c2nccc3c2C(=O)NC3)c([O-])c1 ZINC001241030436 982127362 /nfs/dbraw/zinc/12/73/62/982127362.db2.gz KRVKEAHNEYMVLS-UHFFFAOYSA-N -1 3 240.262 2.006 20 0 BEADHM Cc1ccc(-c2ncc(N)cc2F)c([O-])c1 ZINC001241031083 982128062 /nfs/dbraw/zinc/12/80/62/982128062.db2.gz XTUSFKGVWQXPIJ-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM O=C([N-]c1ccns1)c1ocnc1C(F)F ZINC001588304387 982128946 /nfs/dbraw/zinc/12/89/46/982128946.db2.gz UNQBWHXHALBSIM-UHFFFAOYSA-N -1 3 245.210 2.321 20 0 BEADHM COCc1ccc(-c2ccc(C)cc2[O-])nn1 ZINC001241036164 982136535 /nfs/dbraw/zinc/13/65/35/982136535.db2.gz QAFMKFSYTHMFEW-UHFFFAOYSA-N -1 3 230.267 2.304 20 0 BEADHM CNC(=O)c1cccnc1-c1ccc(C)cc1[O-] ZINC001241035840 982138829 /nfs/dbraw/zinc/13/88/29/982138829.db2.gz FXIYIQLZDQANED-UHFFFAOYSA-N -1 3 242.278 2.122 20 0 BEADHM CCCCCNC(C)(C)c1cc(C(=O)[O-])on1 ZINC001595722375 982341349 /nfs/dbraw/zinc/34/13/49/982341349.db2.gz XJJJVKFTYWXATO-UHFFFAOYSA-N -1 3 240.303 2.388 20 0 BEADHM 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ZINC001241258038 982396130 /nfs/dbraw/zinc/39/61/30/982396130.db2.gz SIHVPFARGOBTAW-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM Cc1cnc(-c2cc([O-])cc(F)c2)c(N)c1 ZINC001241261604 982397635 /nfs/dbraw/zinc/39/76/35/982397635.db2.gz CYBJVMANXDARSW-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM [O-]c1cc(F)cc(-c2cnc3[nH]cnc3c2)c1 ZINC001241267033 982403217 /nfs/dbraw/zinc/40/32/17/982403217.db2.gz RRIUWKFKQIQMAL-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM Cc1ncncc1-c1cc([O-])cc(F)c1 ZINC001241272770 982405045 /nfs/dbraw/zinc/40/50/45/982405045.db2.gz YVANQSUIJRPJJZ-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM CC(C)n1nc(-c2cc([O-])cc(F)c2)ccc1=O ZINC001241280278 982415000 /nfs/dbraw/zinc/41/50/00/982415000.db2.gz IAFLRRIBPWITEM-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM Cc1cc(-c2cc([O-])cc(F)c2)cnc1C(N)=O ZINC001241282131 982419137 /nfs/dbraw/zinc/41/91/37/982419137.db2.gz IJTZKRWXDVNMFH-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM [O-]c1ccc(F)c(-c2ccc(=S)[nH]n2)c1F ZINC001241290909 982428048 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221.260 2.275 20 0 BEADHM COCOc1cccc([N-]c2nnc(C)o2)c1 ZINC001212894954 985897553 /nfs/dbraw/zinc/89/75/53/985897553.db2.gz DDFYHPSCGYQDJY-UHFFFAOYSA-N -1 3 235.243 2.104 20 0 BEADHM Cc1coc(C(=O)[N-]c2conc2C)c1 ZINC001461253934 986031887 /nfs/dbraw/zinc/03/18/87/986031887.db2.gz MSXZWSQOESMRDP-UHFFFAOYSA-N -1 3 206.201 2.137 20 0 BEADHM Cc1cc(-c2ncccc2N)cc([O-])c1F ZINC001244505345 986203962 /nfs/dbraw/zinc/20/39/62/986203962.db2.gz CWVKIORGTNBYCG-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM Cc1cc(-c2nccc3n[nH]nc32)cc([O-])c1F ZINC001244496869 986206716 /nfs/dbraw/zinc/20/67/16/986206716.db2.gz XFQTVUNAHWCJQD-UHFFFAOYSA-N -1 3 244.229 2.173 20 0 BEADHM Cc1cc(-c2ccc(C(N)=O)cn2)cc([O-])c1F ZINC001244507129 986208030 /nfs/dbraw/zinc/20/80/30/986208030.db2.gz UZPUQXBNFQYIFI-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM COc1cnc(-c2cc(C)c(F)c([O-])c2)cn1 ZINC001244506361 986211111 /nfs/dbraw/zinc/21/11/11/986211111.db2.gz NXJHREUPSBEVDG-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM 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[O-]c1ccc(-c2nccn3ncnc23)c(Cl)c1 ZINC001245083756 986651796 /nfs/dbraw/zinc/65/17/96/986651796.db2.gz UOSLAFKWLDEQGE-UHFFFAOYSA-N -1 3 246.657 2.150 20 0 BEADHM CC(C)OCCCC(=O)[N-]OC(C)(C)C ZINC001254644855 986695317 /nfs/dbraw/zinc/69/53/17/986695317.db2.gz ABHYEUULZMNGKI-UHFFFAOYSA-N -1 3 217.309 2.038 20 0 BEADHM S=c1ccc(-c2c[nH]c3cnccc23)n[n-]1 ZINC001245392620 986829743 /nfs/dbraw/zinc/82/97/43/986829743.db2.gz ARXXJLBFBSYLIC-UHFFFAOYSA-N -1 3 228.280 2.309 20 0 BEADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)C1=CCCC1 ZINC001468310681 986905725 /nfs/dbraw/zinc/90/57/25/986905725.db2.gz LBRPFCUOHUKDJA-UHFFFAOYSA-N -1 3 243.266 2.317 20 0 BEADHM Cc1cc(-c2c([O-])cccc2F)cc(=O)o1 ZINC001245656572 987038310 /nfs/dbraw/zinc/03/83/10/987038310.db2.gz TVWZZYBFHFBMEH-UHFFFAOYSA-N -1 3 220.199 2.460 20 0 BEADHM [O-]c1cccc(F)c1-c1ccnc2[nH]cnc21 ZINC001245656312 987040698 /nfs/dbraw/zinc/04/06/98/987040698.db2.gz OJFUSWJSMBGWOP-UHFFFAOYSA-N -1 3 229.214 2.421 20 0 BEADHM Cc1ncc(-c2c([O-])cccc2F)cc1C(N)=O 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/nfs/dbraw/zinc/34/23/97/168342397.db2.gz VTZUPOKVYASDOV-UHFFFAOYSA-N -1 3 248.286 2.439 20 0 BEADHM CCC(CC)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000192971173 168342399 /nfs/dbraw/zinc/34/23/99/168342399.db2.gz VTZUPOKVYASDOV-UHFFFAOYSA-N -1 3 248.286 2.439 20 0 BEADHM Cc1cc(NC(=O)[N-]OC(C)C)cn2ccnc12 ZINC000297035551 178140979 /nfs/dbraw/zinc/14/09/79/178140979.db2.gz RHVWFPWZIDUDCM-UHFFFAOYSA-N -1 3 248.286 2.104 20 0 BEADHM Cc1cc([N-]C(=O)c2oc(C3CC3)nc2C)no1 ZINC000273504594 178152474 /nfs/dbraw/zinc/15/24/74/178152474.db2.gz CGXFXVIKBVRTBU-UHFFFAOYSA-N -1 3 247.254 2.409 20 0 BEADHM CCCN(CC(=O)[O-])Cc1cccc(C(C)=O)c1 ZINC000576405277 365587888 /nfs/dbraw/zinc/58/78/88/365587888.db2.gz IPPPAGQTTGTUKB-UHFFFAOYSA-N -1 3 249.310 2.186 20 0 BEADHM CCCC1(C(=O)N=c2cc3ccccn3[n-]2)CC1 ZINC000576420273 365592262 /nfs/dbraw/zinc/59/22/62/365592262.db2.gz YEYPTRDCAGFDID-UHFFFAOYSA-N -1 3 243.310 2.275 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H](C)[C@H](C)C2)n1 ZINC000279602221 178202519 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/nfs/dbraw/zinc/37/61/93/178376193.db2.gz ZLCOEXYIBPNQDN-UHFFFAOYSA-N -1 3 219.284 2.183 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@H](C)C2)c([O-])c1 ZINC000040725156 178397409 /nfs/dbraw/zinc/39/74/09/178397409.db2.gz KRZAEFYIZRWUEC-JTQLQIEISA-N -1 3 219.284 2.183 20 0 BEADHM Cc1ccc(C(=O)N2C[C@H](C)[C@H](C)C2)c([O-])c1 ZINC000075411972 178397972 /nfs/dbraw/zinc/39/79/72/178397972.db2.gz ZZURXAJOLQACCB-PHIMTYICSA-N -1 3 233.311 2.429 20 0 BEADHM CCOC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000040690126 538972963 /nfs/dbraw/zinc/97/29/63/538972963.db2.gz QDGAZHNGIJBLDC-UHFFFAOYSA-N -1 3 249.310 2.033 20 0 BEADHM Cc1ccoc1CNC[C@H](C(=O)[O-])C(C)C ZINC000381463543 539001053 /nfs/dbraw/zinc/00/10/53/539001053.db2.gz KLTDTNKTSFBGKO-JTQLQIEISA-N -1 3 225.288 2.034 20 0 BEADHM C[C@H]1CCc2[n-]n(Cc3ccccc3)c(=O)c21 ZINC000634584339 342837309 /nfs/dbraw/zinc/83/73/09/342837309.db2.gz ZVHHZUPEKMRBRE-GWCFXTLKSA-N -1 3 228.295 2.431 20 0 BEADHM CCCN(C)C(=O)c1c(C)cccc1[O-] ZINC000624865586 342835507 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/nfs/dbraw/zinc/69/49/01/343694901.db2.gz NPXJOOSYKBELQI-NSHDSACASA-N -1 3 248.330 2.038 20 0 BEADHM O=C(N[C@H]1CCCC12CCCCC2)c1cn[n-]n1 ZINC000312972194 343694904 /nfs/dbraw/zinc/69/49/04/343694904.db2.gz NPXJOOSYKBELQI-NSHDSACASA-N -1 3 248.330 2.038 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCCC2CC2)c1 ZINC000083895220 343682915 /nfs/dbraw/zinc/68/29/15/343682915.db2.gz XBMYKJLGBISLKE-UHFFFAOYSA-N -1 3 219.284 2.231 20 0 BEADHM CC[C@H](CSC)N(C)Cc1ncccc1[O-] ZINC000584224022 343777292 /nfs/dbraw/zinc/77/72/92/343777292.db2.gz CSABHIRPCSJXON-SNVBAGLBSA-N -1 3 240.372 2.361 20 0 BEADHM Cc1ccc(CCC(=O)[N-]OCC2CC2)s1 ZINC000293729152 187349802 /nfs/dbraw/zinc/34/98/02/187349802.db2.gz HLYZLLZTICHENS-UHFFFAOYSA-N -1 3 239.340 2.447 20 0 BEADHM Cc1ccc2c(c1)CCN2C([O-])=NOCC1CC1 ZINC000297548543 187352870 /nfs/dbraw/zinc/35/28/70/187352870.db2.gz ZMQONMCHBIQESS-UHFFFAOYSA-N -1 3 246.310 2.409 20 0 BEADHM Cc1ccc2c(c1)CCN2C(=O)[N-]OCC1CC1 ZINC000297548543 187352872 /nfs/dbraw/zinc/35/28/72/187352872.db2.gz ZMQONMCHBIQESS-UHFFFAOYSA-N -1 3 246.310 2.409 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H]2C)c1 ZINC000641243895 362318722 /nfs/dbraw/zinc/31/87/22/362318722.db2.gz RBSMMMIBGDPTNA-VIFPVBQESA-N -1 3 219.284 2.189 20 0 BEADHM CCCN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000128531003 344206448 /nfs/dbraw/zinc/20/64/48/344206448.db2.gz LCVUSKUWCMAXAZ-UHFFFAOYSA-N -1 3 219.284 2.153 20 0 BEADHM C/C=C/CNC(=O)c1cccc(C)c1[O-] ZINC000385099304 344323877 /nfs/dbraw/zinc/32/38/77/344323877.db2.gz ZJBBFXSIEVAEJV-ONEGZZNKSA-N -1 3 205.257 2.007 20 0 BEADHM CCn1c(=O)[n-]nc1SCC(F)(F)CC ZINC000641419284 362405742 /nfs/dbraw/zinc/40/57/42/362405742.db2.gz KUCXPBKERGTPIR-UHFFFAOYSA-N -1 3 237.275 2.141 20 0 BEADHM Cc1ccc(CSCCc2nnn[n-]2)c(C)c1 ZINC000603339889 349916760 /nfs/dbraw/zinc/91/67/60/349916760.db2.gz HWYLFZKXUIOUQU-UHFFFAOYSA-N -1 3 248.355 2.292 20 0 BEADHM Cc1ccc(CSCCc2nn[n-]n2)c(C)c1 ZINC000603339889 349916762 /nfs/dbraw/zinc/91/67/62/349916762.db2.gz HWYLFZKXUIOUQU-UHFFFAOYSA-N -1 3 248.355 2.292 20 0 BEADHM C(CSCCc1nnn[n-]1)CC1CCCC1 ZINC000603340024 349916814 /nfs/dbraw/zinc/91/68/14/349916814.db2.gz RDAQBGOJFCTVOY-UHFFFAOYSA-N -1 3 240.376 2.446 20 0 BEADHM C(CSCCc1nn[n-]n1)CC1CCCC1 ZINC000603340024 349916818 /nfs/dbraw/zinc/91/68/18/349916818.db2.gz RDAQBGOJFCTVOY-UHFFFAOYSA-N -1 3 240.376 2.446 20 0 BEADHM C(Cc1nnn[n-]1)SCC12CCC(CC1)C2 ZINC000603340483 349917236 /nfs/dbraw/zinc/91/72/36/349917236.db2.gz IJUQIVZJJZGJQQ-UHFFFAOYSA-N -1 3 238.360 2.056 20 0 BEADHM C(Cc1nn[n-]n1)SCC12CCC(CC1)C2 ZINC000603340483 349917239 /nfs/dbraw/zinc/91/72/39/349917239.db2.gz IJUQIVZJJZGJQQ-UHFFFAOYSA-N -1 3 238.360 2.056 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C2CCC2)o1 ZINC000678619364 488273084 /nfs/dbraw/zinc/27/30/84/488273084.db2.gz VRADLHOFSSIAOU-SECBINFHSA-N -1 3 243.328 2.055 20 0 BEADHM C[C@H]1CCCC[C@@H]1SCCc1nnn[n-]1 ZINC000603341480 349919154 /nfs/dbraw/zinc/91/91/54/349919154.db2.gz DJJGCUCLDWUYPZ-IUCAKERBSA-N -1 3 226.349 2.054 20 0 BEADHM C[C@H]1CCCC[C@@H]1SCCc1nn[n-]n1 ZINC000603341480 349919158 /nfs/dbraw/zinc/91/91/58/349919158.db2.gz DJJGCUCLDWUYPZ-IUCAKERBSA-N -1 3 226.349 2.054 20 0 BEADHM Cc1ccc(NC(=O)c2cccn2C)c([O-])c1 ZINC000040418362 178752998 /nfs/dbraw/zinc/75/29/98/178752998.db2.gz GBRGTXLFILAFLV-UHFFFAOYSA-N -1 3 230.267 2.291 20 0 BEADHM O=C(OCc1ccccc1)c1ccc([O-])cc1O ZINC000005104295 344947837 /nfs/dbraw/zinc/94/78/37/344947837.db2.gz NENFFQGUGLZPPY-UHFFFAOYSA-N -1 3 244.246 2.455 20 0 BEADHM Cc1cccc([O-])c1C(=O)NCC1CC(C)C1 ZINC000628194528 344949431 /nfs/dbraw/zinc/94/94/31/344949431.db2.gz NIEGBRWKCMEAJJ-UHFFFAOYSA-N -1 3 233.311 2.477 20 0 BEADHM C[C@@H]1c2ccsc2CCN1CCC(=O)[O-] ZINC000044293596 345013708 /nfs/dbraw/zinc/01/37/08/345013708.db2.gz LNYMLZSSEMLPDX-MRVPVSSYSA-N -1 3 225.313 2.142 20 0 BEADHM CC[C@@H]1CCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000125662420 345088736 /nfs/dbraw/zinc/08/87/36/345088736.db2.gz QCHKCRPGBLOSNL-SNVBAGLBSA-N -1 3 249.310 2.360 20 0 BEADHM O=C([O-])[C@@H](C1CC1)N1CC[C@H]1c1cccc(F)c1 ZINC000635016320 345220467 /nfs/dbraw/zinc/22/04/67/345220467.db2.gz LXJGWUOJUXWYBY-QWHCGFSZSA-N -1 3 249.285 2.436 20 0 BEADHM O=C(Nc1ccc([O-])cc1Cl)[C@H]1CCOC1 ZINC000082879767 345790450 /nfs/dbraw/zinc/79/04/50/345790450.db2.gz FFMSWRWSKUUKIK-ZETCQYMHSA-N -1 3 241.674 2.021 20 0 BEADHM O=C(c1cc([O-])ccc1Cl)N1CC=CCC1 ZINC000236604927 537942984 /nfs/dbraw/zinc/94/29/84/537942984.db2.gz HQXDVRWVFPEYNI-UHFFFAOYSA-N -1 3 237.686 2.448 20 0 BEADHM Cc1cccc(C(=O)N2CC[C@](C)(F)C2)c1[O-] ZINC000336526398 179012072 /nfs/dbraw/zinc/01/20/72/179012072.db2.gz VEAFIHUHOLHTGT-ZDUSSCGKSA-N -1 3 237.274 2.275 20 0 BEADHM Cc1cccc(C(=O)N2C[C@@H](C)[C@H]2C)c1[O-] ZINC000294095923 179012537 /nfs/dbraw/zinc/01/25/37/179012537.db2.gz MLQRLNOAXUFZBU-NXEZZACHSA-N -1 3 219.284 2.181 20 0 BEADHM Cc1cccc(NC([O-])=NOCC(C)C)n1 ZINC000124990092 179135480 /nfs/dbraw/zinc/13/54/80/179135480.db2.gz WIUQBMGWRCHOKZ-UHFFFAOYSA-N -1 3 223.276 2.099 20 0 BEADHM Cc1cccc(NC(=O)[N-]OCC(C)C)n1 ZINC000124990092 179135484 /nfs/dbraw/zinc/13/54/84/179135484.db2.gz WIUQBMGWRCHOKZ-UHFFFAOYSA-N -1 3 223.276 2.099 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCOC[C@H]1C ZINC000192844553 365842928 /nfs/dbraw/zinc/84/29/28/365842928.db2.gz QRMKKGXGBXDQGN-MNOVXSKESA-N -1 3 249.310 2.312 20 0 BEADHM CSCc1cccnc1C(=O)[N-]c1cnoc1 ZINC000589762444 346735563 /nfs/dbraw/zinc/73/55/63/346735563.db2.gz QDKUYIPLRDVGSU-UHFFFAOYSA-N -1 3 249.295 2.185 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1CO[C@H](C)C1 ZINC000336432953 179160535 /nfs/dbraw/zinc/16/05/35/179160535.db2.gz ZNVXXJCXIKRMED-NXEZZACHSA-N -1 3 235.283 2.064 20 0 BEADHM Cc1cccc([O-])c1NC(=O)CC1CCOCC1 ZINC000179560124 179160839 /nfs/dbraw/zinc/16/08/39/179160839.db2.gz ZFUPKUPHLBBQMJ-UHFFFAOYSA-N -1 3 249.310 2.456 20 0 BEADHM Cc1cccc([O-])c1NC(=O)C[C@H]1CCCO1 ZINC000183078328 179160905 /nfs/dbraw/zinc/16/09/05/179160905.db2.gz QHTOAFJGEKTMEB-SNVBAGLBSA-N -1 3 235.283 2.208 20 0 BEADHM CC1(C)C[C@@H]1C(=O)[N-]OCc1ccc(F)cc1 ZINC000184137082 347151346 /nfs/dbraw/zinc/15/13/46/347151346.db2.gz GFKVHYDVHYCTRE-LLVKDONJSA-N -1 3 237.274 2.420 20 0 BEADHM CO[C@@H](C)CN(Cc1ncccc1[O-])C(C)C ZINC000580676889 365872507 /nfs/dbraw/zinc/87/25/07/365872507.db2.gz FGYMFUNHAFJQKB-NSHDSACASA-N -1 3 238.331 2.033 20 0 BEADHM CC[C@@H]1C[C@H]1CNC(=O)c1ccccc1[O-] ZINC000388044188 347163824 /nfs/dbraw/zinc/16/38/24/347163824.db2.gz SGULVBYPVFLXFG-ZJUUUORDSA-N -1 3 219.284 2.168 20 0 BEADHM CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000188750045 347288420 /nfs/dbraw/zinc/28/84/20/347288420.db2.gz NOIMXHQFMVTMMO-SECBINFHSA-N -1 3 243.328 2.137 20 0 BEADHM O=C(Nc1ccccc1[O-])[C@H](O)C1CCCCC1 ZINC000187397516 347255172 /nfs/dbraw/zinc/25/51/72/347255172.db2.gz NMTOUHRPJAWDOU-CYBMUJFWSA-N -1 3 249.310 2.272 20 0 BEADHM Oc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000095181305 347260346 /nfs/dbraw/zinc/26/03/46/347260346.db2.gz AGAGBJLFXRVHGJ-UHFFFAOYSA-N -1 3 238.250 2.239 20 0 BEADHM Oc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000095181305 347260348 /nfs/dbraw/zinc/26/03/48/347260348.db2.gz AGAGBJLFXRVHGJ-UHFFFAOYSA-N -1 3 238.250 2.239 20 0 BEADHM CCN(CC)C(=O)c1cccc(C)c1[O-] ZINC000019837014 347359861 /nfs/dbraw/zinc/35/98/61/347359861.db2.gz ABOSTNKVIIDUNS-UHFFFAOYSA-N -1 3 207.273 2.183 20 0 BEADHM O=C([N-]c1cnoc1)c1cnc(C2CC2)s1 ZINC000591170469 347628508 /nfs/dbraw/zinc/62/85/08/347628508.db2.gz KMBQSOYPIFXTHK-UHFFFAOYSA-N -1 3 235.268 2.261 20 0 BEADHM Cc1ccc(C(=O)NCC(C)C)c([O-])c1C ZINC000048384385 323153238 /nfs/dbraw/zinc/15/32/38/323153238.db2.gz LDUNQAAOWOOJAQ-UHFFFAOYSA-N -1 3 221.300 2.395 20 0 BEADHM O=C(/C=C\C1CCCC1)NCc1ncccc1[O-] ZINC000493450599 347807952 /nfs/dbraw/zinc/80/79/52/347807952.db2.gz JSCOEVMJVAYQMR-FPLPWBNLSA-N -1 3 246.310 2.150 20 0 BEADHM Cc1ccc(NC(=O)/C=C/[C@H]2CCOC2)c([O-])c1 ZINC000493691368 348018135 /nfs/dbraw/zinc/01/81/35/348018135.db2.gz PYDMOHCXECQTGJ-TZNOJPMFSA-N -1 3 247.294 2.232 20 0 BEADHM CCOC(=O)c1cc(-c2cccc(CC)n2)n[n-]1 ZINC000596645781 348603642 /nfs/dbraw/zinc/60/36/42/348603642.db2.gz GEIBQLDDAFBVRR-UHFFFAOYSA-N -1 3 245.282 2.211 20 0 BEADHM CCOC(=O)c1cc(-c2cccc(CC)n2)[n-]n1 ZINC000596645781 348603645 /nfs/dbraw/zinc/60/36/45/348603645.db2.gz GEIBQLDDAFBVRR-UHFFFAOYSA-N -1 3 245.282 2.211 20 0 BEADHM [O-]c1ccc(CNc2nccnc2F)cc1F ZINC001639524402 1172114879 /nfs/dbraw/zinc/11/48/79/1172114879.db2.gz WBGLYLAXQTVGQU-UHFFFAOYSA-N -1 3 237.209 2.073 20 0 BEADHM CC(C)CON=C([O-])Nc1ccc(Cl)cn1 ZINC000123368562 191074184 /nfs/dbraw/zinc/07/41/84/191074184.db2.gz RYAYTSNJMYCPOC-UHFFFAOYSA-N -1 3 243.694 2.444 20 0 BEADHM CC(C)CO[N-]C(=O)Nc1ccc(Cl)cn1 ZINC000123368562 191074187 /nfs/dbraw/zinc/07/41/87/191074187.db2.gz RYAYTSNJMYCPOC-UHFFFAOYSA-N -1 3 243.694 2.444 20 0 BEADHM CC1(C)CC[C@@H]1Nc1ccncc1C(=O)[O-] ZINC000309411832 350372359 /nfs/dbraw/zinc/37/23/59/350372359.db2.gz IXKCSSVELNJBIS-JTQLQIEISA-N -1 3 220.272 2.380 20 0 BEADHM Cc1cc(=O)[nH]c(NC(=O)c2ccccc2[O-])c1 ZINC001639702482 1172131125 /nfs/dbraw/zinc/13/11/25/1172131125.db2.gz RDCJEVLRDDIKPY-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM Cc1cc(CN(C)CCC(=O)[O-])ccc1F ZINC000083410330 351266773 /nfs/dbraw/zinc/26/67/73/351266773.db2.gz MNWMSRDIGRSMNB-UHFFFAOYSA-N -1 3 225.263 2.041 20 0 BEADHM CCN(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000162708287 323639436 /nfs/dbraw/zinc/63/94/36/323639436.db2.gz FWVVHVMTOKKQNC-UHFFFAOYSA-N -1 3 227.691 2.066 20 0 BEADHM CCc1cnc(C[N-]c2nnc(C3CC3)o2)o1 ZINC000281586925 351898969 /nfs/dbraw/zinc/89/89/69/351898969.db2.gz WXZAJUYLAQPYKV-UHFFFAOYSA-N -1 3 234.259 2.110 20 0 BEADHM COC[C@H](C)CC(=O)Nc1ccccc1[O-] ZINC000340104908 351903829 /nfs/dbraw/zinc/90/38/29/351903829.db2.gz XMOMQFHKUXGMCD-SECBINFHSA-N -1 3 223.272 2.003 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC(C)(C)C[C@@H]2C)n1 ZINC000412047191 191244114 /nfs/dbraw/zinc/24/41/14/191244114.db2.gz SGWBDZVNEXNYJM-JTQLQIEISA-N -1 3 249.358 2.365 20 0 BEADHM Cc1noc(C)c1NC(=O)c1cccc([O-])c1 ZINC000334205250 352800372 /nfs/dbraw/zinc/80/03/72/352800372.db2.gz XPACLHKCENJDMM-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM CC(C)CCN(C)C(=O)c1c([O-])cccc1O ZINC000092107797 538106114 /nfs/dbraw/zinc/10/61/14/538106114.db2.gz DIQFMNIUWHKSFM-UHFFFAOYSA-N -1 3 237.299 2.216 20 0 BEADHM Cc1cccnc1C(=O)Nc1ccccc1[O-] ZINC000334364780 353011408 /nfs/dbraw/zinc/01/14/08/353011408.db2.gz NLZPNQJMMLASBT-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM O=C([O-])c1ccc(F)c(CN2CCCC2)c1 ZINC000062749979 188013764 /nfs/dbraw/zinc/01/37/64/188013764.db2.gz XPNYJJIBQHJDSH-UHFFFAOYSA-N -1 3 223.247 2.120 20 0 BEADHM CC(C)Cc1ccc(CN2CC(C(=O)[O-])C2)cc1 ZINC000094904719 188049599 /nfs/dbraw/zinc/04/95/99/188049599.db2.gz YHZKRGFGCVYTMW-UHFFFAOYSA-N -1 3 247.338 2.402 20 0 BEADHM CC[C@@H](F)CN1CCC(CCC(=O)[O-])CC1 ZINC000577857204 366086998 /nfs/dbraw/zinc/08/69/98/366086998.db2.gz UGJXKVRGRWYZQC-LLVKDONJSA-N -1 3 231.311 2.311 20 0 BEADHM C[C@@H]1CC(C(=O)Nc2ccncc2[O-])C[C@@H](C)C1 ZINC000356556751 188238569 /nfs/dbraw/zinc/23/85/69/188238569.db2.gz YNJGKMKBLKQWOK-UWVGGRQHSA-N -1 3 248.326 2.220 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CCC(C)(C)C2)c1 ZINC000091438889 188318672 /nfs/dbraw/zinc/31/86/72/188318672.db2.gz RDWGACOKXYNZFB-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM Cc1ccc([O-])c(NC(=O)/C=C/C2CC2)n1 ZINC000279990448 188383478 /nfs/dbraw/zinc/38/34/78/188383478.db2.gz AQNGAMJXGNQGNH-FNORWQNLSA-N -1 3 218.256 2.000 20 0 BEADHM CC(C)(O)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000281534579 188384343 /nfs/dbraw/zinc/38/43/43/188384343.db2.gz KAAZDJWVSCAYPE-UHFFFAOYSA-N -1 3 243.690 2.145 20 0 BEADHM O=C([O-])[C@H]1CC12CCN([C@@H]1C=CCCC1)CC2 ZINC000405314584 353497914 /nfs/dbraw/zinc/49/79/14/353497914.db2.gz HZKLSVVHYIXGBB-VXGBXAGGSA-N -1 3 235.327 2.282 20 0 BEADHM C[C@@H]1[C@@H](C(=O)[N-]OC2CCCC2)[C@@H]1C1CC1 ZINC000528965770 324225809 /nfs/dbraw/zinc/22/58/09/324225809.db2.gz OGBYUHPDVNXUEP-KPXOXKRLSA-N -1 3 223.316 2.269 20 0 BEADHM Cc1ccncc1C(=O)Nc1cccc([O-])c1F ZINC000334524763 353896745 /nfs/dbraw/zinc/89/67/45/353896745.db2.gz VDUFJILACJBVTE-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Cc1cccc(C(=O)N2CC[C@H]2C2CC2)c1[O-] ZINC000334528791 353904481 /nfs/dbraw/zinc/90/44/81/353904481.db2.gz VNLVNIARJYJFPL-LBPRGKRZSA-N -1 3 231.295 2.325 20 0 BEADHM CC(F)(F)c1ccccc1[N-]S(C)(=O)=O ZINC000334625176 354365190 /nfs/dbraw/zinc/36/51/90/354365190.db2.gz YGWWUERKBVLCTP-UHFFFAOYSA-N -1 3 235.255 2.170 20 0 BEADHM COc1cc(C(=O)N2CC[C@H]2C2CC2)ccc1[O-] ZINC000334669951 354410873 /nfs/dbraw/zinc/41/08/73/354410873.db2.gz FOIQGQLEOFDECL-NSHDSACASA-N -1 3 247.294 2.025 20 0 BEADHM Cc1cc(C(=O)N2CC[C@@H]2C2CC2)ccc1[O-] ZINC000334670935 354411980 /nfs/dbraw/zinc/41/19/80/354411980.db2.gz JXDBZZJBPLNNOD-GFCCVEGCSA-N -1 3 231.295 2.325 20 0 BEADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1nc(C)ccc1[O-] ZINC000345922845 354827013 /nfs/dbraw/zinc/82/70/13/354827013.db2.gz GORCBMPYGYJSBR-ZANVPECISA-N -1 3 234.299 2.470 20 0 BEADHM CC[C@H](SC)C(=O)Nc1nc(C)ccc1[O-] ZINC000345923329 354828115 /nfs/dbraw/zinc/82/81/15/354828115.db2.gz GVYASAOKPFTVIY-VIFPVBQESA-N -1 3 240.328 2.176 20 0 BEADHM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CS3)ccc1[O-] ZINC000335145503 354854601 /nfs/dbraw/zinc/85/46/01/354854601.db2.gz ZQQGXVQVFDUEIS-QWRGUYRKSA-N -1 3 249.335 2.031 20 0 BEADHM Cc1nc(NC(=O)c2cccc([O-])c2)cs1 ZINC000335203116 355037783 /nfs/dbraw/zinc/03/77/83/355037783.db2.gz XAGPZWKSVJESHV-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM C/C=C/c1ccc(NC(=O)c2nc[n-]n2)cc1 ZINC000335204755 355039446 /nfs/dbraw/zinc/03/94/46/355039446.db2.gz XKDDFRROQRFROQ-NSCUHMNNSA-N -1 3 228.255 2.090 20 0 BEADHM CC(=O)c1ccc(C(=O)NC2CC(C)C2)cc1[O-] ZINC000335190369 355023205 /nfs/dbraw/zinc/02/32/05/355023205.db2.gz OEONEXNVPGBQPE-UHFFFAOYSA-N -1 3 247.294 2.123 20 0 BEADHM C[C@@H](C(=O)Nc1ncccc1[O-])C1CCC1 ZINC000335215837 355054373 /nfs/dbraw/zinc/05/43/73/355054373.db2.gz UEOFNDOBJWUSIJ-MRVPVSSYSA-N -1 3 220.272 2.162 20 0 BEADHM Cc1ncc(CN[C@H](C)c2ccccc2)c(=O)[n-]1 ZINC000346800046 355108128 /nfs/dbraw/zinc/10/81/28/355108128.db2.gz QSTKGUWTFYDVPJ-SNVBAGLBSA-N -1 3 243.310 2.341 20 0 BEADHM Cc1ncc(CN[C@@H](C)c2ccccc2)c(=O)[n-]1 ZINC000346800045 355108334 /nfs/dbraw/zinc/10/83/34/355108334.db2.gz QSTKGUWTFYDVPJ-JTQLQIEISA-N -1 3 243.310 2.341 20 0 BEADHM CC(=O)c1ccc(C(=O)N2C[C@H](C)[C@@H]2C)cc1[O-] ZINC000335187329 355086068 /nfs/dbraw/zinc/08/60/68/355086068.db2.gz ATSZOKCJLCHCNR-IUCAKERBSA-N -1 3 247.294 2.075 20 0 BEADHM Cc1ncsc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000352040880 134036988 /nfs/dbraw/zinc/03/69/88/134036988.db2.gz SNMSYMAGSRCZGO-ONEGZZNKSA-N -1 3 233.296 2.426 20 0 BEADHM Cc1noc(-c2cc(-c3ccc(C)o3)[n-]n2)n1 ZINC000349769301 355447959 /nfs/dbraw/zinc/44/79/59/355447959.db2.gz FLQXUPOSJQEVBR-UHFFFAOYSA-N -1 3 230.227 2.337 20 0 BEADHM Cc1noc(-c2cc(-c3ccc(C)o3)n[n-]2)n1 ZINC000349769301 355447962 /nfs/dbraw/zinc/44/79/62/355447962.db2.gz FLQXUPOSJQEVBR-UHFFFAOYSA-N -1 3 230.227 2.337 20 0 BEADHM C[C@H]1CC[C@H](CNC(=O)c2csc(=O)[n-]2)C1 ZINC000335780096 355426865 /nfs/dbraw/zinc/42/68/65/355426865.db2.gz LKKCJNKDZBWNCT-YUMQZZPRSA-N -1 3 240.328 2.015 20 0 BEADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1csc(=O)[n-]1 ZINC000335786887 355437169 /nfs/dbraw/zinc/43/71/69/355437169.db2.gz JXPWQNZJMVNJJI-JGVFFNPUSA-N -1 3 240.328 2.109 20 0 BEADHM COc1cc(C(=O)N2C[C@@H](C)C[C@H]2C)ccc1[O-] ZINC000335801047 355494498 /nfs/dbraw/zinc/49/44/98/355494498.db2.gz WAPRXBWRYQJNFE-VHSXEESVSA-N -1 3 249.310 2.271 20 0 BEADHM COc1cc(C(=O)N2C[C@@H](C)C[C@@H]2C)ccc1[O-] ZINC000335801045 355494572 /nfs/dbraw/zinc/49/45/72/355494572.db2.gz WAPRXBWRYQJNFE-UWVGGRQHSA-N -1 3 249.310 2.271 20 0 BEADHM C[C@H]1[C@H](C(=O)Nc2cc(F)ccc2[O-])C1(F)F ZINC000335802932 355472714 /nfs/dbraw/zinc/47/27/14/355472714.db2.gz DECOLOWGUVFEMU-SSDLBLMSSA-N -1 3 245.200 2.371 20 0 BEADHM CCC(C)(C)CNC(=O)c1csc(=O)[n-]1 ZINC000352078595 134057975 /nfs/dbraw/zinc/05/79/75/134057975.db2.gz ZEIGPDGOGDIQKR-UHFFFAOYSA-N -1 3 228.317 2.015 20 0 BEADHM CCCCCNC(=O)c1ccc(OC)cc1[O-] ZINC000017322167 355889242 /nfs/dbraw/zinc/88/92/42/355889242.db2.gz ZCVVRZLVPQWKFQ-UHFFFAOYSA-N -1 3 237.299 2.321 20 0 BEADHM CCN(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000167005648 355949322 /nfs/dbraw/zinc/94/93/22/355949322.db2.gz ANPHLWKFSHDFJO-UHFFFAOYSA-N -1 3 230.267 2.032 20 0 BEADHM CC(C)N(C(=O)c1csc(=O)[n-]1)C1CCC1 ZINC000335911255 356123520 /nfs/dbraw/zinc/12/35/20/356123520.db2.gz QHSLMWQAWFULTG-UHFFFAOYSA-N -1 3 240.328 2.252 20 0 BEADHM CC[C@H](C)CCNC(=O)c1csc(=O)[n-]1 ZINC000617640147 356251146 /nfs/dbraw/zinc/25/11/46/356251146.db2.gz UHNABWDXCMRWOF-ZETCQYMHSA-N -1 3 228.317 2.015 20 0 BEADHM CCCC[C@H](O)CCC(=O)[N-]OCC1CCC1 ZINC001640880098 1172199190 /nfs/dbraw/zinc/19/91/90/1172199190.db2.gz ZHNJBAMWNMMDMJ-LBPRGKRZSA-N -1 3 243.347 2.166 20 0 BEADHM CC[C@H](C)C[N-]S(=O)(=O)c1cc(C)cs1 ZINC000420702221 192257031 /nfs/dbraw/zinc/25/70/31/192257031.db2.gz FSRNAUNUUWPDCY-QMMMGPOBSA-N -1 3 247.385 2.381 20 0 BEADHM [O-]c1ccccc1-c1nc(Cc2ccon2)no1 ZINC000350569519 366299517 /nfs/dbraw/zinc/29/95/17/366299517.db2.gz SCDDSBDPYGBZRM-UHFFFAOYSA-N -1 3 243.222 2.021 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@H]2CCC[C@H]2CC)c1C ZINC000449847378 202043800 /nfs/dbraw/zinc/04/38/00/202043800.db2.gz AUQWNBIXGYNKKC-MNOVXSKESA-N -1 3 249.358 2.467 20 0 BEADHM Cc1ccc([O-])c(-c2nc(-c3ccon3)no2)c1 ZINC000350563970 366297617 /nfs/dbraw/zinc/29/76/17/366297617.db2.gz DLZYEOHWLLQUEG-UHFFFAOYSA-N -1 3 243.222 2.406 20 0 BEADHM O=C(CCCn1ccnc1)Nc1ccccc1[O-] ZINC000122700885 363507981 /nfs/dbraw/zinc/50/79/81/363507981.db2.gz ZCVFVLNUAGXSTG-UHFFFAOYSA-N -1 3 245.282 2.008 20 0 BEADHM C[C@@H](c1cccnc1)N(C)Cc1ncccc1[O-] ZINC000582233758 356634455 /nfs/dbraw/zinc/63/44/55/356634455.db2.gz AUPPURHTTMBPOY-NSHDSACASA-N -1 3 243.310 2.375 20 0 BEADHM CCC[C@H](O)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000350582154 538678254 /nfs/dbraw/zinc/67/82/54/538678254.db2.gz MJTQAMAUYXWEIT-NSHDSACASA-N -1 3 248.282 2.146 20 0 BEADHM CC(=O)c1[n-]c(=N[C@@H]2CC[C@@H]2C)sc1C ZINC000450535871 202192787 /nfs/dbraw/zinc/19/27/87/202192787.db2.gz QHIRFXIZUHIDAW-IMTBSYHQSA-N -1 3 224.329 2.286 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC1CCCC1 ZINC000623381990 356905472 /nfs/dbraw/zinc/90/54/72/356905472.db2.gz RIMXQMZQZSJUPK-UHFFFAOYSA-N -1 3 219.284 2.373 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)C(C)(F)F)c1 ZINC000389529192 356961794 /nfs/dbraw/zinc/96/17/94/356961794.db2.gz QUAZSPOESGMINQ-QMMMGPOBSA-N -1 3 243.253 2.474 20 0 BEADHM CSc1nnc(NC(=O)c2ccccc2C)[n-]1 ZINC000017176069 356959890 /nfs/dbraw/zinc/95/98/90/356959890.db2.gz AZAUSLJPGDVATA-UHFFFAOYSA-N -1 3 248.311 2.087 20 0 BEADHM CSc1n[n-]c(NC(=O)c2ccccc2C)n1 ZINC000017176069 356959897 /nfs/dbraw/zinc/95/98/97/356959897.db2.gz AZAUSLJPGDVATA-UHFFFAOYSA-N -1 3 248.311 2.087 20 0 BEADHM CSc1nc(NC(=O)c2ccccc2C)n[n-]1 ZINC000017176069 356959901 /nfs/dbraw/zinc/95/99/01/356959901.db2.gz AZAUSLJPGDVATA-UHFFFAOYSA-N -1 3 248.311 2.087 20 0 BEADHM O=C(NC1(C(F)(F)F)CC1)c1ccccc1[O-] ZINC000229121416 491109108 /nfs/dbraw/zinc/10/91/08/491109108.db2.gz DBMOMXQVLRTQAM-UHFFFAOYSA-N -1 3 245.200 2.217 20 0 BEADHM CCCc1cc(C(=O)[N-]c2nc(CC)co2)no1 ZINC000582734180 357374018 /nfs/dbraw/zinc/37/40/18/357374018.db2.gz TZRVMIXDEPAZPB-UHFFFAOYSA-N -1 3 249.270 2.430 20 0 BEADHM CC1(C)CC[C@H](CNC(=O)c2ccccc2[O-])O1 ZINC000189620966 357650273 /nfs/dbraw/zinc/65/02/73/357650273.db2.gz PRCAQXKCGBBVHE-SNVBAGLBSA-N -1 3 249.310 2.080 20 0 BEADHM O=C(Cc1cccc(O)c1)Nc1ccccc1[O-] ZINC000063536681 357660921 /nfs/dbraw/zinc/66/09/21/357660921.db2.gz RMWQFWUJSKWJDW-UHFFFAOYSA-N -1 3 243.262 2.279 20 0 BEADHM CC[C@@H](C(=O)[O-])N1CCC[C@@H]1c1ccco1 ZINC000583268239 357763277 /nfs/dbraw/zinc/76/32/77/357763277.db2.gz MLIOJUOEWYBEEU-VHSXEESVSA-N -1 3 223.272 2.280 20 0 BEADHM CC[C@H](C)N(C)Cc1occc1C(=O)[O-] ZINC000035433041 357991805 /nfs/dbraw/zinc/99/18/05/357991805.db2.gz AGOAZWIBAGHWNN-QMMMGPOBSA-N -1 3 211.261 2.208 20 0 BEADHM Cc1oc(CN(C)C(C)C)cc1C(=O)[O-] ZINC000035432171 357991938 /nfs/dbraw/zinc/99/19/38/357991938.db2.gz NYWHHPRXLVJVMG-UHFFFAOYSA-N -1 3 211.261 2.126 20 0 BEADHM CC[C@@H](C)N(C)Cc1occc1C(=O)[O-] ZINC000035433040 357992167 /nfs/dbraw/zinc/99/21/67/357992167.db2.gz AGOAZWIBAGHWNN-MRVPVSSYSA-N -1 3 211.261 2.208 20 0 BEADHM CCc1cccc(C(=O)NCCSC)c1[O-] ZINC000610579552 358002771 /nfs/dbraw/zinc/00/27/71/358002771.db2.gz VMJNQRPVAWVYID-UHFFFAOYSA-N -1 3 239.340 2.047 20 0 BEADHM CC[C@@H](C)CN(C)Cc1ccc(C(=O)[O-])o1 ZINC000037173668 358059982 /nfs/dbraw/zinc/05/99/82/358059982.db2.gz VVBBDWVWKHSLKJ-SECBINFHSA-N -1 3 225.288 2.456 20 0 BEADHM Cc1cc(CN(C)CC2CC2)oc1C(=O)[O-] ZINC000037925820 358098287 /nfs/dbraw/zinc/09/82/87/358098287.db2.gz NGDBPYLZXVSXEX-UHFFFAOYSA-N -1 3 223.272 2.128 20 0 BEADHM C=CC=CCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001641250341 1172237347 /nfs/dbraw/zinc/23/73/47/1172237347.db2.gz HKKHAVQFTQSELQ-ARJAWSKDSA-N -1 3 243.266 2.339 20 0 BEADHM CCC[C@H](C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351366194 358189161 /nfs/dbraw/zinc/18/91/61/358189161.db2.gz GQDGZXVHXPLVJC-ZETCQYMHSA-N -1 3 234.259 2.136 20 0 BEADHM O=C(CCc1ccncc1)Nc1ccccc1[O-] ZINC000047343806 358587521 /nfs/dbraw/zinc/58/75/21/358587521.db2.gz WRAQSXZNGZDMNP-UHFFFAOYSA-N -1 3 242.278 2.359 20 0 BEADHM CC(C)CNC(=O)Cc1ccc([O-])cc1Cl ZINC000136070086 358862082 /nfs/dbraw/zinc/86/20/82/358862082.db2.gz MPSPAPLRMKWMGW-UHFFFAOYSA-N -1 3 241.718 2.360 20 0 BEADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000057102527 358902992 /nfs/dbraw/zinc/90/29/92/358902992.db2.gz QWCXZWCOGRWLMO-IUCAKERBSA-N -1 3 247.385 2.461 20 0 BEADHM CC(C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000351465095 366529249 /nfs/dbraw/zinc/52/92/49/366529249.db2.gz QNFVDUQKHVYTRL-UHFFFAOYSA-N -1 3 229.243 2.131 20 0 BEADHM CCc1cc(=O)[n-]c(CN2C[C@@H](C)CC[C@H]2C)n1 ZINC000246554878 359146194 /nfs/dbraw/zinc/14/61/94/359146194.db2.gz KJGXGCKBCDDXTL-WDEREUQCSA-N -1 3 249.358 2.365 20 0 BEADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000246682975 359156632 /nfs/dbraw/zinc/15/66/32/359156632.db2.gz DHSPJQQULRRHFU-IWIIMEHWSA-N -1 3 249.285 2.194 20 0 BEADHM CC1(C)CC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000287112040 359456683 /nfs/dbraw/zinc/45/66/83/359456683.db2.gz LWXOQIYGENBWBC-LLVKDONJSA-N -1 3 235.283 2.016 20 0 BEADHM CC[C@H]1CCC[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000332972995 359533861 /nfs/dbraw/zinc/53/38/61/359533861.db2.gz NNHDWTSKWJOFMF-JGVFFNPUSA-N -1 3 240.328 2.157 20 0 BEADHM C[C@H](CCC1CC1)NC(=O)Cc1cncc([O-])c1 ZINC000578452382 366573333 /nfs/dbraw/zinc/57/33/33/366573333.db2.gz IZYCYSOUVWENOA-SNVBAGLBSA-N -1 3 248.326 2.025 20 0 BEADHM CCCCCS(=O)(=O)[N-][C@@H](CC)C(F)F ZINC000451084976 202344435 /nfs/dbraw/zinc/34/44/35/202344435.db2.gz RVJFTQJPMBSAAC-QMMMGPOBSA-N -1 3 243.319 2.140 20 0 BEADHM CCN(Cc1csc(C(=O)[O-])c1)C1CC1 ZINC000578660789 366623205 /nfs/dbraw/zinc/62/32/05/366623205.db2.gz VDADUYFTDQMBPL-UHFFFAOYSA-N -1 3 225.313 2.431 20 0 BEADHM CCc1cc(C(=O)N2C[C@@H]3C[C@@H]3C2)ccc1[O-] ZINC000628517493 359952172 /nfs/dbraw/zinc/95/21/72/359952172.db2.gz QACZZJABNNTDGJ-TXEJJXNPSA-N -1 3 231.295 2.047 20 0 BEADHM O=C(c1ccccc1[O-])N(C1CC1)C1CC1 ZINC000628820028 360675423 /nfs/dbraw/zinc/67/54/23/360675423.db2.gz XWJWGFQZVAHFNV-UHFFFAOYSA-N -1 3 217.268 2.159 20 0 BEADHM O=C(N[C@@]12C[C@@H]1CCCC2)c1cccc([O-])c1 ZINC000634070692 360876844 /nfs/dbraw/zinc/87/68/44/360876844.db2.gz IIKXBRDMHQLJKV-FZMZJTMJSA-N -1 3 231.295 2.455 20 0 BEADHM O=C(N[C@]12C[C@H]1CCCC2)c1cccc([O-])c1 ZINC000634070691 360876971 /nfs/dbraw/zinc/87/69/71/360876971.db2.gz IIKXBRDMHQLJKV-BXUZGUMPSA-N -1 3 231.295 2.455 20 0 BEADHM CC(C)CCCC(=O)NCc1ncccc1[O-] ZINC000451345849 200744600 /nfs/dbraw/zinc/74/46/00/200744600.db2.gz SQZQRGNFKOHJGO-UHFFFAOYSA-N -1 3 236.315 2.230 20 0 BEADHM C[C@H]1C[C@H]1CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000629361593 361010590 /nfs/dbraw/zinc/01/05/90/361010590.db2.gz JIACWZACUHQQKB-CABZTGNLSA-N -1 3 231.295 2.356 20 0 BEADHM C[C@@H]1CC[C@H](C(=O)Nc2cccc3n[n-]nc32)C1 ZINC000640380128 361189485 /nfs/dbraw/zinc/18/94/85/361189485.db2.gz NRWILKGJNTYBPV-BDAKNGLRSA-N -1 3 244.298 2.333 20 0 BEADHM CCCc1nc(C)c(C(=O)[N-]c2conc2C)o1 ZINC000640487879 361280922 /nfs/dbraw/zinc/28/09/22/361280922.db2.gz QHOJVUWCXUUMOJ-UHFFFAOYSA-N -1 3 249.270 2.484 20 0 BEADHM CCCN(C(=O)c1cccc2[n-]nnc21)C(C)C ZINC000575001866 361289620 /nfs/dbraw/zinc/28/96/20/361289620.db2.gz PMFCTTDFIIIBII-UHFFFAOYSA-N -1 3 246.314 2.219 20 0 BEADHM CCCN(C(=O)c1cccc2nn[n-]c21)C(C)C ZINC000575001866 361289623 /nfs/dbraw/zinc/28/96/23/361289623.db2.gz PMFCTTDFIIIBII-UHFFFAOYSA-N -1 3 246.314 2.219 20 0 BEADHM CCCN(C(=O)c1cccc2n[n-]nc21)C(C)C ZINC000575001866 361289627 /nfs/dbraw/zinc/28/96/27/361289627.db2.gz PMFCTTDFIIIBII-UHFFFAOYSA-N -1 3 246.314 2.219 20 0 BEADHM C[C@]1(C(=O)[O-])CCCN1Cc1ccsc1 ZINC000070618254 361645110 /nfs/dbraw/zinc/64/51/10/361645110.db2.gz XZHQMEMBOGWBEP-LLVKDONJSA-N -1 3 225.313 2.187 20 0 BEADHM C[C@@]1(C(=O)[O-])CCCN1Cc1ccsc1 ZINC000070618255 361645228 /nfs/dbraw/zinc/64/52/28/361645228.db2.gz XZHQMEMBOGWBEP-NSHDSACASA-N -1 3 225.313 2.187 20 0 BEADHM CC(C)c1ccc(C(=O)N[C@@H]2CCOC2)c([O-])c1 ZINC000436518214 201330941 /nfs/dbraw/zinc/33/09/41/201330941.db2.gz ZWMCMPHWCIGGRC-LLVKDONJSA-N -1 3 249.310 2.034 20 0 BEADHM CCc1ccc(C(=O)N[C@@H]2CC[C@@H]2C)c([O-])c1 ZINC000436711284 201334884 /nfs/dbraw/zinc/33/48/84/201334884.db2.gz GHODYCRKMKRFPJ-JOYOIKCWSA-N -1 3 233.311 2.483 20 0 BEADHM CN(CC[C@H]1CCCO1)C(=O)c1ccccc1[O-] ZINC000436748189 201337333 /nfs/dbraw/zinc/33/73/33/201337333.db2.gz RINORUANDKOSOY-LLVKDONJSA-N -1 3 249.310 2.033 20 0 BEADHM Cc1ccnc(C(=O)Nc2c(C)cccc2[O-])n1 ZINC000436878357 201337764 /nfs/dbraw/zinc/33/77/64/201337764.db2.gz BRGQPKSCYLSHTP-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM CCc1ccc(C(=O)NC(C)(C)CF)c([O-])c1 ZINC000436834993 201338012 /nfs/dbraw/zinc/33/80/12/201338012.db2.gz BURRTOQWJSKEGH-UHFFFAOYSA-N -1 3 239.290 2.433 20 0 BEADHM CC[C@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436845105 201338022 /nfs/dbraw/zinc/33/80/22/201338022.db2.gz CGOHXMUWQMXDPD-QMMMGPOBSA-N -1 3 235.283 2.123 20 0 BEADHM CC[C@H](NC(=O)c1ccccc1[O-])C(F)(F)F ZINC000436831152 201338166 /nfs/dbraw/zinc/33/81/66/201338166.db2.gz DTEJSEUCPNTJQQ-VIFPVBQESA-N -1 3 247.216 2.463 20 0 BEADHM Cc1ccc(C(=O)Nc2cncnc2)c([O-])c1C ZINC000436820263 201338653 /nfs/dbraw/zinc/33/86/53/201338653.db2.gz QSWVCNVDAVCVPB-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2ccon2)c1 ZINC000436972651 201342553 /nfs/dbraw/zinc/34/25/53/201342553.db2.gz PRUWPUBTTROAOW-SECBINFHSA-N -1 3 246.266 2.180 20 0 BEADHM COc1cccc(C(=O)N2C3CCC2CC3)c1[O-] ZINC000398839649 363893956 /nfs/dbraw/zinc/89/39/56/363893956.db2.gz IXSYHMCXOJQLMN-UHFFFAOYSA-N -1 3 247.294 2.168 20 0 BEADHM CC[C@@](C)(NC(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000618954051 363919875 /nfs/dbraw/zinc/91/98/75/363919875.db2.gz GBUJMELIXWRVHU-CQSZACIVSA-N -1 3 249.310 2.406 20 0 BEADHM CC[C@@H](NC(=O)c1cc(C)ccc1[O-])C(F)F ZINC000452256216 202558515 /nfs/dbraw/zinc/55/85/15/202558515.db2.gz SUKDLSDNOLMBOH-SECBINFHSA-N -1 3 243.253 2.474 20 0 BEADHM Cc1ccc(NC(=O)CCC2(O)CCC2)c([O-])c1 ZINC000630438807 364167605 /nfs/dbraw/zinc/16/76/05/364167605.db2.gz AFNVVNWOIYDCJG-UHFFFAOYSA-N -1 3 249.310 2.334 20 0 BEADHM CC[C@H](C)N(CC)C(=O)c1cc(F)c[n-]c1=O ZINC000622134092 370728784 /nfs/dbraw/zinc/72/87/84/370728784.db2.gz VKRJLSJADVXLKH-QMMMGPOBSA-N -1 3 240.278 2.187 20 0 BEADHM COc1ccc(NC(=O)c2cccnc2)c([O-])c1 ZINC000135401897 541364658 /nfs/dbraw/zinc/36/46/58/541364658.db2.gz YQYDALMGINBZHQ-UHFFFAOYSA-N -1 3 244.250 2.048 20 0 BEADHM CSCCN(C)Cc1ccc(C(=O)[O-])s1 ZINC000167577956 364796616 /nfs/dbraw/zinc/79/66/16/364796616.db2.gz TZNHXRQWOIZYFV-UHFFFAOYSA-N -1 3 245.369 2.241 20 0 BEADHM CCN(CCC(=O)[O-])Cc1cccc(C(C)=O)c1 ZINC000574213486 365012095 /nfs/dbraw/zinc/01/20/95/365012095.db2.gz VBRKXWVHXAVEIA-UHFFFAOYSA-N -1 3 249.310 2.186 20 0 BEADHM C[C@@H]1C[C@H](C)N1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000574416625 365059492 /nfs/dbraw/zinc/05/94/92/365059492.db2.gz OBMRFKDIWHKILF-DTORHVGOSA-N -1 3 233.315 2.042 20 0 BEADHM CC1CC(CNC(=O)c2ccccc2[O-])C1 ZINC000622242370 370793625 /nfs/dbraw/zinc/79/36/25/370793625.db2.gz TYVJZRDOGTYEBW-UHFFFAOYSA-N -1 3 219.284 2.168 20 0 BEADHM CCc1cnc([N-]C(=O)c2cc(C)no2)s1 ZINC000173057737 365398765 /nfs/dbraw/zinc/39/87/65/365398765.db2.gz GOKOIBQYQZLVLA-UHFFFAOYSA-N -1 3 237.284 2.254 20 0 BEADHM CC(C)(C)N=c1[n-]nc(CC2CC2)n1C1CC1 ZINC000575876433 365400125 /nfs/dbraw/zinc/40/01/25/365400125.db2.gz WNCCJWRASGBWFV-UHFFFAOYSA-N -1 3 234.347 2.198 20 0 BEADHM [O-]c1coc2cc(OC[C@H]3CCCCO3)ccc12 ZINC000057524250 1172336352 /nfs/dbraw/zinc/33/63/52/1172336352.db2.gz DYHCXZYMSLWDBB-LLVKDONJSA-N -1 3 248.278 2.210 20 0 BEADHM O=C(NCC1=CCCCC1)c1csc(=O)[n-]1 ZINC000581113785 367266029 /nfs/dbraw/zinc/26/60/29/367266029.db2.gz RGUWIJPKZYIPQY-UHFFFAOYSA-N -1 3 238.312 2.079 20 0 BEADHM O=C([O-])[C@H](C1CC1)N1CCc2cccc(F)c2C1 ZINC000581078542 367257383 /nfs/dbraw/zinc/25/73/83/367257383.db2.gz WMLVWOLXELVKBF-ZDUSSCGKSA-N -1 3 249.285 2.047 20 0 BEADHM Cc1cccc([O-])c1NC(=O)C1CCC(O)CC1 ZINC000194538984 367303557 /nfs/dbraw/zinc/30/35/57/367303557.db2.gz MEUBAHOYBUJHMN-UHFFFAOYSA-N -1 3 249.310 2.190 20 0 BEADHM COc1ccc(C(=O)N[C@@H]2CCC2(C)C)c([O-])c1 ZINC000380806512 367306243 /nfs/dbraw/zinc/30/62/43/367306243.db2.gz QIBGUPSXNVIBCZ-GFCCVEGCSA-N -1 3 249.310 2.319 20 0 BEADHM CC/C=C\CNC(=O)c1ccc(OC)cc1[O-] ZINC000384972640 367768769 /nfs/dbraw/zinc/76/87/69/367768769.db2.gz IOSBFYXFUGKHKS-PLNGDYQASA-N -1 3 235.283 2.097 20 0 BEADHM CCN(CCC1CC1)C(=O)c1c([O-])cccc1O ZINC000385953820 367889335 /nfs/dbraw/zinc/88/93/35/367889335.db2.gz VOBKFHJPTHLUCW-UHFFFAOYSA-N -1 3 249.310 2.360 20 0 BEADHM Cc1ccc(C(=O)NCCCF)c([O-])c1C ZINC000154012435 326125293 /nfs/dbraw/zinc/12/52/93/326125293.db2.gz WZFXKTXNCGXMDY-UHFFFAOYSA-N -1 3 225.263 2.098 20 0 BEADHM O=C([O-])CC1(CN2Cc3ccccc3C2)CC1 ZINC000088255983 368908639 /nfs/dbraw/zinc/90/86/39/368908639.db2.gz PUDCVKZORZXOJY-UHFFFAOYSA-N -1 3 231.295 2.257 20 0 BEADHM Cc1cc(OC[C@@H]2CCCO2)cc2occ([O-])c21 ZINC000642610050 368933638 /nfs/dbraw/zinc/93/36/38/368933638.db2.gz PPHSOOJHSQRSBC-JTQLQIEISA-N -1 3 248.278 2.128 20 0 BEADHM Cc1ccnc(C[S@](=O)c2cccc([O-])c2)c1 ZINC000616194400 369025069 /nfs/dbraw/zinc/02/50/69/369025069.db2.gz WCPLCMGCEHLFGQ-KRWDZBQOSA-N -1 3 247.319 2.403 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@H](C)C2CCC2)n1 ZINC000457771763 203099755 /nfs/dbraw/zinc/09/97/55/203099755.db2.gz VCXIYILZZPTGGU-SECBINFHSA-N -1 3 234.299 2.470 20 0 BEADHM Cc1occc1CNC(=O)c1ccccc1[O-] ZINC000618834969 369224103 /nfs/dbraw/zinc/22/41/03/369224103.db2.gz GSFBLXBSWHSARK-UHFFFAOYSA-N -1 3 231.251 2.224 20 0 BEADHM CC[C@@](C)(NC(=O)Cc1cncc([O-])c1)C1CC1 ZINC000618959682 369248158 /nfs/dbraw/zinc/24/81/58/369248158.db2.gz ADVBBSLMAYDXLQ-CQSZACIVSA-N -1 3 248.326 2.025 20 0 BEADHM C[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@H](C)O1 ZINC000619122605 369289853 /nfs/dbraw/zinc/28/98/53/369289853.db2.gz UGFSNTWYVLTGGK-MNOVXSKESA-N -1 3 249.310 2.032 20 0 BEADHM CN(CC1=CCSC1)C(=O)c1ccccc1[O-] ZINC000620848706 370005781 /nfs/dbraw/zinc/00/57/81/370005781.db2.gz GSFCLTZZRVZOMF-UHFFFAOYSA-N -1 3 249.335 2.137 20 0 BEADHM CC12CC(C1)CN2C(=O)c1ccccc1[O-] ZINC000621210757 370152120 /nfs/dbraw/zinc/15/21/20/370152120.db2.gz DXVPBGOKPONODK-UHFFFAOYSA-N -1 3 217.268 2.017 20 0 BEADHM CCCN(CC(=O)[O-])Cc1cncc(Cl)c1 ZINC000621774483 370520058 /nfs/dbraw/zinc/52/00/58/370520058.db2.gz VHIBBMAINHYXHI-UHFFFAOYSA-N -1 3 242.706 2.032 20 0 BEADHM CN(Cc1occc1C(=O)[O-])[C@@H]1CC1(C)C ZINC000568520501 326362722 /nfs/dbraw/zinc/36/27/22/326362722.db2.gz CSKHJTINNRYTJH-SNVBAGLBSA-N -1 3 223.272 2.208 20 0 BEADHM C[C@@H]1CCC[C@H](SCCc2nnn[n-]2)C1 ZINC000095254340 371263505 /nfs/dbraw/zinc/26/35/05/371263505.db2.gz FINAWIJNULMEDY-BDAKNGLRSA-N -1 3 226.349 2.054 20 0 BEADHM C[C@@H]1CCC[C@H](SCCc2nn[n-]n2)C1 ZINC000095254340 371263511 /nfs/dbraw/zinc/26/35/11/371263511.db2.gz FINAWIJNULMEDY-BDAKNGLRSA-N -1 3 226.349 2.054 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1C[C@H]1C ZINC000624108927 371311245 /nfs/dbraw/zinc/31/12/45/371311245.db2.gz IQCXXBNLJJGGPR-ZJUUUORDSA-N -1 3 219.284 2.086 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC000632265255 372845584 /nfs/dbraw/zinc/84/55/84/372845584.db2.gz RBWBSGZMFXVNSB-HBNTYKKESA-N -1 3 249.310 2.453 20 0 BEADHM O=C(C[C@H]1C=CCCC1)Nc1ncccc1[O-] ZINC000187877545 182025741 /nfs/dbraw/zinc/02/57/41/182025741.db2.gz YFOJGFIPBYEKFR-JTQLQIEISA-N -1 3 232.283 2.472 20 0 BEADHM O=C([N-]C1(c2cccc(F)c2)CC1)C(F)F ZINC000279244162 182091742 /nfs/dbraw/zinc/09/17/42/182091742.db2.gz SVWHNCHMYONYOP-UHFFFAOYSA-N -1 3 229.201 2.196 20 0 BEADHM O=C(NC12CCC(CC1)C2)c1ccccc1[O-] ZINC000371749543 182092172 /nfs/dbraw/zinc/09/21/72/182092172.db2.gz ZVTAOLQUKKFYLY-UHFFFAOYSA-N -1 3 231.295 2.455 20 0 BEADHM O=C(CCCCO)Nc1ccc([O-])cc1Cl ZINC000633603696 373619650 /nfs/dbraw/zinc/61/96/50/373619650.db2.gz GLRPITKQZDPDSO-UHFFFAOYSA-N -1 3 243.690 2.147 20 0 BEADHM O=C(NCCCC(F)(F)F)c1cccc([O-])c1 ZINC000149510472 182157725 /nfs/dbraw/zinc/15/77/25/182157725.db2.gz ABVJHWVQDKZIIP-UHFFFAOYSA-N -1 3 247.216 2.465 20 0 BEADHM O=C(N[C@H]1CCCC12CC2)c1ccccc1[O-] ZINC000633769160 373735792 /nfs/dbraw/zinc/73/57/92/373735792.db2.gz CBHHHMGVEUNCFY-LBPRGKRZSA-N -1 3 231.295 2.455 20 0 BEADHM O=C([N-]OCC1CC1)Nc1ccc2c(c1)CCO2 ZINC000292489422 182281217 /nfs/dbraw/zinc/28/12/17/182281217.db2.gz AARKDDRFOVHLKV-UHFFFAOYSA-N -1 3 248.282 2.085 20 0 BEADHM O=C([N-]OCC1CC1)Nc1ccccc1 ZINC000292413378 182281950 /nfs/dbraw/zinc/28/19/50/182281950.db2.gz YUVGKGAISOSAJY-UHFFFAOYSA-N -1 3 206.245 2.150 20 0 BEADHM [O-]C(=NOCCC(F)(F)F)Nc1cccnc1 ZINC000122437935 182283400 /nfs/dbraw/zinc/28/34/00/182283400.db2.gz CNIKUUHKRWXIAJ-UHFFFAOYSA-N -1 3 249.192 2.087 20 0 BEADHM O=C([N-]OCCC(F)(F)F)Nc1cccnc1 ZINC000122437935 182283402 /nfs/dbraw/zinc/28/34/02/182283402.db2.gz CNIKUUHKRWXIAJ-UHFFFAOYSA-N -1 3 249.192 2.087 20 0 BEADHM O=C([N-][C@@H]1COc2c1cccc2Cl)C(F)F ZINC000375753673 182314622 /nfs/dbraw/zinc/31/46/22/182314622.db2.gz HTKSHCISTKYOIY-SSDOTTSWSA-N -1 3 247.628 2.155 20 0 BEADHM O=C([N-][C@H]1CCOc2ccc(F)cc21)C(F)F ZINC000194592655 182338416 /nfs/dbraw/zinc/33/84/16/182338416.db2.gz NVQLCZCZUOQCCT-QMMMGPOBSA-N -1 3 245.200 2.031 20 0 BEADHM O=C(Nc1ccc(Cl)cc1[O-])C1CC1 ZINC000153693047 182354698 /nfs/dbraw/zinc/35/46/98/182354698.db2.gz AXZWDLCJELRAHQ-UHFFFAOYSA-N -1 3 211.648 2.394 20 0 BEADHM O=C(Nc1ccccc1[O-])[C@H]1CC12CCOCC2 ZINC000364358856 182380418 /nfs/dbraw/zinc/38/04/18/182380418.db2.gz MHOVLPQOBHUPQY-SNVBAGLBSA-N -1 3 247.294 2.147 20 0 BEADHM O=C(Nc1ccccc1[O-])C1=COCCC1 ZINC000068511422 182380809 /nfs/dbraw/zinc/38/08/09/182380809.db2.gz OKYXBMSUQFBVPY-UHFFFAOYSA-N -1 3 219.240 2.025 20 0 BEADHM O=C(Nc1ccccc1[O-])[C@@H]1CC12CCOCC2 ZINC000364358855 182381085 /nfs/dbraw/zinc/38/10/85/182381085.db2.gz MHOVLPQOBHUPQY-JTQLQIEISA-N -1 3 247.294 2.147 20 0 BEADHM O=C(Nc1cccnc1)c1cccc([O-])c1 ZINC000019837567 182384870 /nfs/dbraw/zinc/38/48/70/182384870.db2.gz UPXCBPITDJDFTE-UHFFFAOYSA-N -1 3 214.224 2.040 20 0 BEADHM O=C(Nc1csc2ccccc12)c1cnn[n-]1 ZINC000352573302 182397315 /nfs/dbraw/zinc/39/73/15/182397315.db2.gz STAAVEAAUNGONV-UHFFFAOYSA-N -1 3 244.279 2.272 20 0 BEADHM O=C(Nc1csc2ccccc12)c1c[n-]nn1 ZINC000352573302 182397317 /nfs/dbraw/zinc/39/73/17/182397317.db2.gz STAAVEAAUNGONV-UHFFFAOYSA-N -1 3 244.279 2.272 20 0 BEADHM O=C(Nc1csc2ccccc12)c1cn[n-]n1 ZINC000352573302 182397318 /nfs/dbraw/zinc/39/73/18/182397318.db2.gz STAAVEAAUNGONV-UHFFFAOYSA-N -1 3 244.279 2.272 20 0 BEADHM O=C(Nc1cncc(F)c1)c1cccc([O-])c1 ZINC000302413416 182393437 /nfs/dbraw/zinc/39/34/37/182393437.db2.gz SBPYLHLFBPZYMD-UHFFFAOYSA-N -1 3 232.214 2.179 20 0 BEADHM [O-]c1cccc(CNC2(CO)CCC2)c1Cl ZINC000293401936 183038773 /nfs/dbraw/zinc/03/87/73/183038773.db2.gz YEIQXXGROQCYNJ-UHFFFAOYSA-N -1 3 241.718 2.050 20 0 BEADHM OCC[C@H]([N-]c1nnc(C2CC2)o1)c1ccco1 ZINC000278208455 183096669 /nfs/dbraw/zinc/09/66/69/183096669.db2.gz FMKZVKFHPRQHNH-VIFPVBQESA-N -1 3 249.270 2.076 20 0 BEADHM CCCCc1ccc(CC(=O)[N-]OC)cc1 ZINC000053720908 169020212 /nfs/dbraw/zinc/02/02/12/169020212.db2.gz BKEASBRZDGCNSQ-UHFFFAOYSA-N -1 3 221.300 2.249 20 0 BEADHM CCCN(C(=O)c1cccc([O-])c1)C1CC1 ZINC000037097624 169047390 /nfs/dbraw/zinc/04/73/90/169047390.db2.gz GMQCJUSXDIGAGV-UHFFFAOYSA-N -1 3 219.284 2.407 20 0 BEADHM [O-]c1ccc(CNc2ncc(F)cn2)cc1F ZINC000301789600 183272307 /nfs/dbraw/zinc/27/23/07/183272307.db2.gz QRCWQWHCHWONDR-UHFFFAOYSA-N -1 3 237.209 2.073 20 0 BEADHM [O-]c1ccc(F)c(CNCC(F)(F)F)c1F ZINC000353105229 183273418 /nfs/dbraw/zinc/27/34/18/183273418.db2.gz ZFDGGUXFJWDXOM-UHFFFAOYSA-N -1 3 241.159 2.322 20 0 BEADHM [O-]c1cc(F)cc(CNC2(C(F)F)CC2)c1 ZINC000309521665 183258047 /nfs/dbraw/zinc/25/80/47/183258047.db2.gz UGCQKSNUPPZLPM-UHFFFAOYSA-N -1 3 231.217 2.419 20 0 BEADHM [O-]c1cc(F)cc(CN2CCC[C@@H]2CF)c1 ZINC000294044096 183258625 /nfs/dbraw/zinc/25/86/25/183258625.db2.gz PBQOIMKPQQJULT-LLVKDONJSA-N -1 3 227.254 2.465 20 0 BEADHM [O-]c1cccc(CN[C@H]2CCC[C@@H]2O)c1Cl ZINC000293719285 183291025 /nfs/dbraw/zinc/29/10/25/183291025.db2.gz YJCQRJGBWWMUFG-UWVGGRQHSA-N -1 3 241.718 2.049 20 0 BEADHM [O-]c1cncc(-c2nc3cc(F)ccc3[nH]2)c1 ZINC000104411217 183304520 /nfs/dbraw/zinc/30/45/20/183304520.db2.gz XBYBMAJUFYODTI-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM CCCOc1ccc(CCC(=O)[N-]OC)cc1 ZINC000079453512 169317495 /nfs/dbraw/zinc/31/74/95/169317495.db2.gz IEUOBYGNQMXSAL-UHFFFAOYSA-N -1 3 237.299 2.086 20 0 BEADHM CCCSCC(=O)Nc1nc(C)ccc1[O-] ZINC000273467977 169339706 /nfs/dbraw/zinc/33/97/06/169339706.db2.gz JFKPWMZJWHLBBX-UHFFFAOYSA-N -1 3 240.328 2.177 20 0 BEADHM O=C(NCC1CCCCC1)c1c([O-])cccc1O ZINC000228854303 259636832 /nfs/dbraw/zinc/63/68/32/259636832.db2.gz RFPSEBFRROJGBP-UHFFFAOYSA-N -1 3 249.310 2.408 20 0 BEADHM O=C([O-])CCN(Cc1cccc(F)c1)C1CC1 ZINC000037654493 383991901 /nfs/dbraw/zinc/99/19/01/383991901.db2.gz YTROQHDXKLMRRW-UHFFFAOYSA-N -1 3 237.274 2.265 20 0 BEADHM CCO[N-]C(=O)CCOc1cccc(C)c1C ZINC000068063075 383969596 /nfs/dbraw/zinc/96/95/96/383969596.db2.gz LOMPUFQWZVVTFH-UHFFFAOYSA-N -1 3 237.299 2.140 20 0 BEADHM CCC1(NC(=O)c2ccc(C)cc2[O-])CC1 ZINC000296353507 384062609 /nfs/dbraw/zinc/06/26/09/384062609.db2.gz UHVAOKQOKPTSKR-UHFFFAOYSA-N -1 3 219.284 2.373 20 0 BEADHM CCCCOCC(=O)Nc1ccc(C)cc1[O-] ZINC000118492806 384202694 /nfs/dbraw/zinc/20/26/94/384202694.db2.gz OBWUYCUFWWCKHI-UHFFFAOYSA-N -1 3 237.299 2.456 20 0 BEADHM Cc1cnc(CNC(=O)c2ccccc2[O-])s1 ZINC000169822571 384278739 /nfs/dbraw/zinc/27/87/39/384278739.db2.gz GSIWLVBYSZMUIE-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM CN(CC1CCC1)C(=O)/C=C/c1cncc([O-])c1 ZINC000179492037 384298172 /nfs/dbraw/zinc/29/81/72/384298172.db2.gz KQHOLMDRORJCMB-AATRIKPKSA-N -1 3 246.310 2.059 20 0 BEADHM CCO[C@@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000560821768 384372945 /nfs/dbraw/zinc/37/29/45/384372945.db2.gz QLMAJWKIDGDBHG-ZETCQYMHSA-N -1 3 243.690 2.409 20 0 BEADHM O=C(c1ccccc1[O-])N1CC[C@@H]2CCC[C@H]21 ZINC000334248267 384413617 /nfs/dbraw/zinc/41/36/17/384413617.db2.gz PDLLMFZUMONCPG-CMPLNLGQSA-N -1 3 231.295 2.407 20 0 BEADHM Cc1c[nH]cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000334221308 384424787 /nfs/dbraw/zinc/42/47/87/384424787.db2.gz TVGBPORLVCZAPG-UHFFFAOYSA-N -1 3 234.230 2.420 20 0 BEADHM CC[C@]1(C)CN(C(=O)c2cccc([O-])c2)CCO1 ZINC000135442049 384444259 /nfs/dbraw/zinc/44/42/59/384444259.db2.gz YWTBEVWRECCKSF-CQSZACIVSA-N -1 3 249.310 2.033 20 0 BEADHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)C2(C)CC2)n1 ZINC000122103469 384456275 /nfs/dbraw/zinc/45/62/75/384456275.db2.gz IQWCFPIYIANUKS-JTQLQIEISA-N -1 3 249.358 2.365 20 0 BEADHM C[C@@H](N(C)C(=O)c1ccc(O)cc1[O-])C1(C)CC1 ZINC000175609971 384464282 /nfs/dbraw/zinc/46/42/82/384464282.db2.gz UVIASRKPGGUWAY-SECBINFHSA-N -1 3 249.310 2.358 20 0 BEADHM CO[N-]C(=O)[C@@H](C)CCc1ccccc1F ZINC000079453569 384496288 /nfs/dbraw/zinc/49/62/88/384496288.db2.gz JLPITSHMHMUIFM-VIFPVBQESA-N -1 3 225.263 2.072 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)C1CC1 ZINC000569601667 384505026 /nfs/dbraw/zinc/50/50/26/384505026.db2.gz JGNOJPRPHWATER-UHFFFAOYSA-N -1 3 211.648 2.394 20 0 BEADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CC12CC2 ZINC000335017363 384490803 /nfs/dbraw/zinc/49/08/03/384490803.db2.gz JJYLQBHFOVIZOT-ZETCQYMHSA-N -1 3 221.231 2.270 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CC12CC2 ZINC000335018593 384490907 /nfs/dbraw/zinc/49/09/07/384490907.db2.gz WEDSUTHITRXXIP-MRVPVSSYSA-N -1 3 221.231 2.270 20 0 BEADHM O=c1cc(CSc2ncco2)nc(C2CC2)[n-]1 ZINC000556841410 384520814 /nfs/dbraw/zinc/52/08/14/384520814.db2.gz JLAUOLDQABBCNR-UHFFFAOYSA-N -1 3 249.295 2.340 20 0 BEADHM CCC1(CNC(=O)c2ccc(OC)cc2[O-])CC1 ZINC000176087965 384552492 /nfs/dbraw/zinc/55/24/92/384552492.db2.gz LGXHLHPGUJSJMP-UHFFFAOYSA-N -1 3 249.310 2.321 20 0 BEADHM CCO[N-]C(=O)Nc1cnc(Cl)cc1C ZINC000184095774 384565365 /nfs/dbraw/zinc/56/53/65/384565365.db2.gz POHUYKWTOLHIRY-UHFFFAOYSA-N -1 3 229.667 2.116 20 0 BEADHM O=C(CCCc1ccccc1)[N-]OCC1CC1 ZINC000124195329 384623230 /nfs/dbraw/zinc/62/32/30/384623230.db2.gz OESRKQRINSJSSF-UHFFFAOYSA-N -1 3 233.311 2.467 20 0 BEADHM CC(C)(C)c1ccc2c(c1)CN(CC(=O)[O-])CC2 ZINC000082791437 384716011 /nfs/dbraw/zinc/71/60/11/384716011.db2.gz PMAQXFQCSYPZBI-UHFFFAOYSA-N -1 3 247.338 2.427 20 0 BEADHM CC(C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000102823724 384732799 /nfs/dbraw/zinc/73/27/99/384732799.db2.gz DRIXCIVMLLCPLR-UHFFFAOYSA-N -1 3 248.261 2.205 20 0 BEADHM CC(=O)CCCC(=O)Nc1cc(F)ccc1[O-] ZINC000185622290 384749232 /nfs/dbraw/zinc/74/92/32/384749232.db2.gz LBSQPNONKQMQOI-UHFFFAOYSA-N -1 3 239.246 2.229 20 0 BEADHM COCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186258955 384832020 /nfs/dbraw/zinc/83/20/20/384832020.db2.gz SJJABZYDBWNSBB-JTQLQIEISA-N -1 3 249.310 2.269 20 0 BEADHM O=C(/C=C\c1cncc([O-])c1)NC1CCCCC1 ZINC000255545080 384789389 /nfs/dbraw/zinc/78/93/89/384789389.db2.gz WQDMQUVQGXRZJA-SREVYHEPSA-N -1 3 246.310 2.249 20 0 BEADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCCO1 ZINC000186348696 384836277 /nfs/dbraw/zinc/83/62/77/384836277.db2.gz GUFAYIKGZTVWAM-UHFFFAOYSA-N -1 3 247.294 2.049 20 0 BEADHM CSC(C)(C)CNC(=O)c1cccc([O-])c1 ZINC000163680092 384844466 /nfs/dbraw/zinc/84/44/66/384844466.db2.gz FEVGCRRXTJKYRI-UHFFFAOYSA-N -1 3 239.340 2.264 20 0 BEADHM O=C([O-])[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC000062134450 384970322 /nfs/dbraw/zinc/97/03/22/384970322.db2.gz CDASOARGJZOATM-JTQLQIEISA-N -1 3 239.702 2.247 20 0 BEADHM CSCCC(=O)Nc1ccccc1[O-] ZINC000028689764 384970960 /nfs/dbraw/zinc/97/09/60/384970960.db2.gz XSGAMHCVFFKXQF-UHFFFAOYSA-N -1 3 211.286 2.084 20 0 BEADHM CC[C@H](NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000647466692 385055732 /nfs/dbraw/zinc/05/57/32/385055732.db2.gz WULMJJOTPCLUFH-VIFPVBQESA-N -1 3 245.681 2.432 20 0 BEADHM CN(CCC(=O)[O-])Cc1cc2ccccc2o1 ZINC000086774859 385046255 /nfs/dbraw/zinc/04/62/55/385046255.db2.gz FDRKMCSBFZRGDE-UHFFFAOYSA-N -1 3 233.267 2.339 20 0 BEADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccncc1[O-] ZINC000530883351 385131517 /nfs/dbraw/zinc/13/15/17/385131517.db2.gz ZRMQFCNXZZXNIV-MNOVXSKESA-N -1 3 248.326 2.364 20 0 BEADHM O=[S@@](C[C@@H]1CCCCO1)c1ccc([O-])cc1 ZINC000176437612 385085471 /nfs/dbraw/zinc/08/54/71/385085471.db2.gz RWCFBUGTKIRUGG-ZBEGNZNMSA-N -1 3 240.324 2.069 20 0 BEADHM C[C@]1(C(=O)Nc2cc(F)ccc2[O-])CCCO1 ZINC000151341265 385103939 /nfs/dbraw/zinc/10/39/39/385103939.db2.gz KTNMVEZQCXWFJI-GFCCVEGCSA-N -1 3 239.246 2.039 20 0 BEADHM O=C(c1cccc([O-])c1)N1CC[C@@H](C2CC2)C1 ZINC000336382370 385302715 /nfs/dbraw/zinc/30/27/15/385302715.db2.gz KIYAMXZLLMDRNK-GFCCVEGCSA-N -1 3 231.295 2.264 20 0 BEADHM Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)ccc1[O-] ZINC000272638529 385319951 /nfs/dbraw/zinc/31/99/51/385319951.db2.gz LJSAFOZPGJCOFV-TXEJJXNPSA-N -1 3 245.322 2.429 20 0 BEADHM O=C(c1ccc(O)cc1[O-])N1CC2CCC1CC2 ZINC000311145320 385339192 /nfs/dbraw/zinc/33/91/92/385339192.db2.gz URKPSCAMBNZTDJ-UHFFFAOYSA-N -1 3 247.294 2.112 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@H]2CC2(C)C)n1 ZINC000273575057 385366213 /nfs/dbraw/zinc/36/62/13/385366213.db2.gz YKPXEIJUNZWDRO-MRVPVSSYSA-N -1 3 220.272 2.080 20 0 BEADHM C[C@@H]1C[C@H](C)N(C(=O)/C=C/c2cncc([O-])c2)C1 ZINC000492400419 385371568 /nfs/dbraw/zinc/37/15/68/385371568.db2.gz QYNFXIJNZAGIRN-YHROSDCASA-N -1 3 246.310 2.057 20 0 BEADHM C[C@H]1CCCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000192899733 385376833 /nfs/dbraw/zinc/37/68/33/385376833.db2.gz MBLRQEKHHLSHLH-JOYOIKCWSA-N -1 3 249.310 2.406 20 0 BEADHM CCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000193015554 385380239 /nfs/dbraw/zinc/38/02/39/385380239.db2.gz OJEVNPBOAUADRY-UHFFFAOYSA-N -1 3 240.328 2.176 20 0 BEADHM CCC[C@@H]1C[C@H]1C(=O)Nc1nc(C)ccc1[O-] ZINC000360783969 385399856 /nfs/dbraw/zinc/39/98/56/385399856.db2.gz UCSAVALJYZALBK-NXEZZACHSA-N -1 3 234.299 2.470 20 0 BEADHM CCCN(C(=O)/C=C/c1cncc([O-])c1)C1CC1 ZINC000181980933 385451225 /nfs/dbraw/zinc/45/12/25/385451225.db2.gz YKPMODIALPGMBA-ZZXKWVIFSA-N -1 3 246.310 2.201 20 0 BEADHM CS[C@@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000179542594 385470807 /nfs/dbraw/zinc/47/08/07/385470807.db2.gz KZLHMKZTGYHHDJ-QMMMGPOBSA-N -1 3 225.313 2.391 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)/C=C/c1ccc(C)nc1 ZINC000492897296 385460442 /nfs/dbraw/zinc/46/04/42/385460442.db2.gz QJJVIYYTNXNZFZ-AEZGRPFRSA-N -1 3 248.326 2.497 20 0 BEADHM CCCCCC(=O)Nc1ccncc1[O-] ZINC000109889041 385490879 /nfs/dbraw/zinc/49/08/79/385490879.db2.gz OWXLHGMPEQREJZ-UHFFFAOYSA-N -1 3 208.261 2.306 20 0 BEADHM Cc1ccc(CC(=O)Nc2ccncc2[O-])cc1 ZINC000109890904 385491098 /nfs/dbraw/zinc/49/10/98/385491098.db2.gz ZKIUCVMEEQDXII-UHFFFAOYSA-N -1 3 242.278 2.277 20 0 BEADHM CO[N-]C(=O)CCSc1ccccc1Cl ZINC000053720288 385518242 /nfs/dbraw/zinc/51/82/42/385518242.db2.gz HHQOGFUFMDSOHF-UHFFFAOYSA-N -1 3 245.731 2.500 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(OCC)cc1 ZINC000158085920 385547279 /nfs/dbraw/zinc/54/72/79/385547279.db2.gz UCZIBJKEMJEXRP-UHFFFAOYSA-N -1 3 224.260 2.158 20 0 BEADHM c1nnc([N-]Cc2cc3ccccc3o2)o1 ZINC000309372268 385554813 /nfs/dbraw/zinc/55/48/13/385554813.db2.gz QSIVVKIZGLOVOJ-UHFFFAOYSA-N -1 3 215.212 2.428 20 0 BEADHM CC(C)(C)OCC(=O)Nc1ccccc1[O-] ZINC000181406793 385576507 /nfs/dbraw/zinc/57/65/07/385576507.db2.gz SJBGFMLXXZXMJZ-UHFFFAOYSA-N -1 3 223.272 2.146 20 0 BEADHM O=C(/C=C/c1ccsc1)[N-]OC1CCC1 ZINC000493422267 385573773 /nfs/dbraw/zinc/57/37/73/385573773.db2.gz MKSZLEVTAYIBFP-SNAWJCMRSA-N -1 3 223.297 2.362 20 0 BEADHM O=C(/C=C/C1CC1)Nc1ccccc1[O-] ZINC000253456491 385675325 /nfs/dbraw/zinc/67/53/25/385675325.db2.gz BELCOTNIOPXNAO-BQYQJAHWSA-N -1 3 203.241 2.297 20 0 BEADHM CCCCCC(=O)[N-]OC/C=C/Cl ZINC000291772790 385694713 /nfs/dbraw/zinc/69/47/13/385694713.db2.gz IXCJRJDJWCZHDK-FNORWQNLSA-N -1 3 205.685 2.367 20 0 BEADHM CO[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC000281706400 385695420 /nfs/dbraw/zinc/69/54/20/385695420.db2.gz GWUHPWGJIRVTCW-QWRGUYRKSA-N -1 3 249.310 2.032 20 0 BEADHM CCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184783963 385711324 /nfs/dbraw/zinc/71/13/24/385711324.db2.gz WFCPSLXPDRZXJY-UHFFFAOYSA-N -1 3 219.284 2.021 20 0 BEADHM CC[C@H]1CN(C(=O)c2cccc([O-])c2)C[C@H](C)O1 ZINC000182423708 385670242 /nfs/dbraw/zinc/67/02/42/385670242.db2.gz NIXMIKWAXJICHK-GWCFXTLKSA-N -1 3 249.310 2.032 20 0 BEADHM C[C@@H](C(=O)[O-])N1CCC[C@@H]1c1ccsc1 ZINC000116351645 385729181 /nfs/dbraw/zinc/72/91/81/385729181.db2.gz IHYYRFJOAMMDOR-WCBMZHEXSA-N -1 3 225.313 2.358 20 0 BEADHM CO[N-]C(=O)CC(C)(C)CC(=O)c1ccccc1 ZINC000283041114 385805857 /nfs/dbraw/zinc/80/58/57/385805857.db2.gz QAPCEMLPNQYZIB-UHFFFAOYSA-N -1 3 249.310 2.353 20 0 BEADHM O=C([O-])CCCN1CCc2cccc(F)c2C1 ZINC000262145372 385837315 /nfs/dbraw/zinc/83/73/15/385837315.db2.gz QJLOYPXVXWLEKX-UHFFFAOYSA-N -1 3 237.274 2.049 20 0 BEADHM CCC[C@@H](OC)C(=O)Nc1ccccc1[O-] ZINC000294340448 385839207 /nfs/dbraw/zinc/83/92/07/385839207.db2.gz APOIPDVSZFSIDD-LLVKDONJSA-N -1 3 223.272 2.146 20 0 BEADHM CC[C@H]1Cc2ccccc2CN1CCC(=O)[O-] ZINC000262369528 385843370 /nfs/dbraw/zinc/84/33/70/385843370.db2.gz IJBSMLLCJJNBNP-ZDUSSCGKSA-N -1 3 233.311 2.298 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2CC2(F)F)c([O-])c1 ZINC000294417472 385848862 /nfs/dbraw/zinc/84/88/62/385848862.db2.gz QMOLZRZWORVQTD-ZETCQYMHSA-N -1 3 227.210 2.294 20 0 BEADHM Cc1ccc([O-])c(CN2CCC[C@H]2CF)n1 ZINC000294030490 385791246 /nfs/dbraw/zinc/79/12/46/385791246.db2.gz OCYKUCSMVKMAHC-JTQLQIEISA-N -1 3 224.279 2.030 20 0 BEADHM COc1cc(C(=O)N(C)C2CCC2)ccc1[O-] ZINC000272571182 385913759 /nfs/dbraw/zinc/91/37/59/385913759.db2.gz CEMLMDNVBMOROA-UHFFFAOYSA-N -1 3 235.283 2.025 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000272108665 385875466 /nfs/dbraw/zinc/87/54/66/385875466.db2.gz QYUJVNABLXULHW-GHMZBOCLSA-N -1 3 249.310 2.454 20 0 BEADHM CCC[C@H](C)C(=O)Nc1nc(C)ccc1[O-] ZINC000273464007 386004226 /nfs/dbraw/zinc/00/42/26/386004226.db2.gz IXXYFLFTGPZPCS-QMMMGPOBSA-N -1 3 222.288 2.470 20 0 BEADHM CCc1cccc(F)c1CN[C@H](C)CC(=O)[O-] ZINC000414634559 386017747 /nfs/dbraw/zinc/01/77/47/386017747.db2.gz CJGDKYCQQBFCDY-SECBINFHSA-N -1 3 239.290 2.341 20 0 BEADHM CC(=O)c1ccc(C(=O)N(C)C(C)C)cc1[O-] ZINC000334428411 386036164 /nfs/dbraw/zinc/03/61/64/386036164.db2.gz XZVXUBSCKLMBDH-UHFFFAOYSA-N -1 3 235.283 2.075 20 0 BEADHM CC(C)CCCC(=O)[N-]OCc1cccnc1 ZINC000295503393 386044354 /nfs/dbraw/zinc/04/43/54/386044354.db2.gz QYDNSENEPIETEO-UHFFFAOYSA-N -1 3 236.315 2.456 20 0 BEADHM O=C(N[C@@H]1C[C@H]1C1CCC1)c1cccc([O-])c1 ZINC000335079936 386053438 /nfs/dbraw/zinc/05/34/38/386053438.db2.gz VQUCCEBKKUKLAV-QWHCGFSZSA-N -1 3 231.295 2.311 20 0 BEADHM C[C@@]1(C(=O)Nc2ccccc2[O-])C[C@@H]1F ZINC000335178355 386113403 /nfs/dbraw/zinc/11/34/03/386113403.db2.gz USUKCWOUSDJHAE-GXSJLCMTSA-N -1 3 209.220 2.079 20 0 BEADHM CCN(CCC(=O)[O-])Cc1ccccc1F ZINC000038024807 386115689 /nfs/dbraw/zinc/11/56/89/386115689.db2.gz OFMUITGRKIBKDJ-UHFFFAOYSA-N -1 3 225.263 2.122 20 0 BEADHM CCc1ccc(C(=O)N2CC(C3CC3)C2)c([O-])c1 ZINC000643291713 386073827 /nfs/dbraw/zinc/07/38/27/386073827.db2.gz BMBHUIYENOQQME-UHFFFAOYSA-N -1 3 245.322 2.437 20 0 BEADHM Cc1cnc(C[N-]c2nc(C3CC3)no2)s1 ZINC000296170493 386145512 /nfs/dbraw/zinc/14/55/12/386145512.db2.gz XQQWYXLRTSCESO-UHFFFAOYSA-N -1 3 236.300 2.324 20 0 BEADHM CN(CC[C@@H]1CCCO1)C(=O)c1cccc([O-])c1 ZINC000346139393 386165275 /nfs/dbraw/zinc/16/52/75/386165275.db2.gz RRNOXFJEHQHFRQ-ZDUSSCGKSA-N -1 3 249.310 2.033 20 0 BEADHM CCCCCSc1ncc(C(=O)OC)[n-]1 ZINC000274950643 386166138 /nfs/dbraw/zinc/16/61/38/386166138.db2.gz SOSXLVVVALWMTQ-UHFFFAOYSA-N -1 3 228.317 2.479 20 0 BEADHM COCc1ccccc1NC([O-])=NOC(C)C ZINC000296348493 386166316 /nfs/dbraw/zinc/16/63/16/386166316.db2.gz MXSDYSNCZRFHFF-UHFFFAOYSA-N -1 3 238.287 2.295 20 0 BEADHM COCc1ccccc1NC(=O)[N-]OC(C)C ZINC000296348493 386166325 /nfs/dbraw/zinc/16/63/25/386166325.db2.gz MXSDYSNCZRFHFF-UHFFFAOYSA-N -1 3 238.287 2.295 20 0 BEADHM Cc1ccc(C(=O)NC[C@@H]2CC23CC3)c([O-])c1 ZINC000416062358 386207873 /nfs/dbraw/zinc/20/78/73/386207873.db2.gz DWAGEMVNSJVGBC-JTQLQIEISA-N -1 3 231.295 2.231 20 0 BEADHM Cc1cccc(C(=O)NC[C@@H]2CC23CC3)c1[O-] ZINC000416067174 386211336 /nfs/dbraw/zinc/21/13/36/386211336.db2.gz UVVLHRMVDVDUBH-JTQLQIEISA-N -1 3 231.295 2.231 20 0 BEADHM Cc1ccc(C(=O)NC2CCC2)c([O-])c1C ZINC000264369450 386228225 /nfs/dbraw/zinc/22/82/25/386228225.db2.gz HFUACJSXMDYBDA-UHFFFAOYSA-N -1 3 219.284 2.291 20 0 BEADHM CCc1cc(C(=O)NC[C@H]2CC23CC3)ccc1[O-] ZINC000416258020 386247051 /nfs/dbraw/zinc/24/70/51/386247051.db2.gz NEOWTZIORRULLS-GFCCVEGCSA-N -1 3 245.322 2.485 20 0 BEADHM COc1cc(C(=O)N2CC[C@@H](C)[C@H]2C)ccc1[O-] ZINC000276010941 386261053 /nfs/dbraw/zinc/26/10/53/386261053.db2.gz QIIJMFUTMJNDIL-NXEZZACHSA-N -1 3 249.310 2.271 20 0 BEADHM CC(C)(C)/C=C/C(=O)[N-]O[C@H]1CCCCO1 ZINC000264609478 386251617 /nfs/dbraw/zinc/25/16/17/386251617.db2.gz HOGXAQFZWXEXPS-AEZGRPFRSA-N -1 3 227.304 2.163 20 0 BEADHM CSc1nnc(NC(=O)C[C@H](C)C(C)C)[n-]1 ZINC000263923727 386192757 /nfs/dbraw/zinc/19/27/57/386192757.db2.gz HANSADRQXZRKRS-ZETCQYMHSA-N -1 3 242.348 2.147 20 0 BEADHM CSc1n[n-]c(NC(=O)C[C@H](C)C(C)C)n1 ZINC000263923727 386192761 /nfs/dbraw/zinc/19/27/61/386192761.db2.gz HANSADRQXZRKRS-ZETCQYMHSA-N -1 3 242.348 2.147 20 0 BEADHM CSc1nc(NC(=O)C[C@H](C)C(C)C)n[n-]1 ZINC000263923727 386192768 /nfs/dbraw/zinc/19/27/68/386192768.db2.gz HANSADRQXZRKRS-ZETCQYMHSA-N -1 3 242.348 2.147 20 0 BEADHM CCN(C(=O)c1ccc([O-])c(OC)c1)C(C)C ZINC000276227472 386286322 /nfs/dbraw/zinc/28/63/22/386286322.db2.gz YPGMYPUPWPOYIY-UHFFFAOYSA-N -1 3 237.299 2.271 20 0 BEADHM COc1cc(C(=O)N2C[C@@H](C)[C@H](C)C2)ccc1[O-] ZINC000276038243 386265692 /nfs/dbraw/zinc/26/56/92/386265692.db2.gz VLWVUJQKIOYPDZ-NXEZZACHSA-N -1 3 249.310 2.129 20 0 BEADHM CCN(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000264853789 386276156 /nfs/dbraw/zinc/27/61/56/386276156.db2.gz JVZMFOVOWJADHE-UHFFFAOYSA-N -1 3 233.311 2.363 20 0 BEADHM O=C(CCOCC(F)F)Nc1ccccc1[O-] ZINC000276859389 386383404 /nfs/dbraw/zinc/38/34/04/386383404.db2.gz KCVWWNRXZGHBHY-UHFFFAOYSA-N -1 3 245.225 2.003 20 0 BEADHM CCCC1(CNC(=O)c2c([O-])cccc2O)CC1 ZINC000092124803 386332717 /nfs/dbraw/zinc/33/27/17/386332717.db2.gz DXCLCRCGDJWGEI-UHFFFAOYSA-N -1 3 249.310 2.408 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2CCO[C@@H]2C)c([O-])c1 ZINC000094178598 386446607 /nfs/dbraw/zinc/44/66/07/386446607.db2.gz XLHHIDKXLOLMKS-NXEZZACHSA-N -1 3 235.283 2.064 20 0 BEADHM CSCCCNC(=O)c1ccc([O-])c(C)c1 ZINC000227031574 386451245 /nfs/dbraw/zinc/45/12/45/386451245.db2.gz WKBAPYHODDPZSK-UHFFFAOYSA-N -1 3 239.340 2.184 20 0 BEADHM Cc1cccc(CNC2(C(=O)[O-])CCC2)c1F ZINC000417566190 386396949 /nfs/dbraw/zinc/39/69/49/386396949.db2.gz MFCGMCYKVKDKLQ-UHFFFAOYSA-N -1 3 237.274 2.231 20 0 BEADHM CO[C@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000266114704 386400504 /nfs/dbraw/zinc/40/05/04/386400504.db2.gz SOOCMRFMHIAGII-YPMHNXCESA-N -1 3 249.310 2.080 20 0 BEADHM Cc1noc([N-]C(=O)COC2CCCC2)c1C ZINC000266162210 386405991 /nfs/dbraw/zinc/40/59/91/386405991.db2.gz ITXKCFXURDQBNT-UHFFFAOYSA-N -1 3 238.287 2.189 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2CC)n1 ZINC000336707496 386410098 /nfs/dbraw/zinc/41/00/98/386410098.db2.gz ORZVITLARAPISV-NSHDSACASA-N -1 3 235.331 2.119 20 0 BEADHM CCON=C([O-])Nc1cc(C2CC2)ccn1 ZINC000290219613 386410611 /nfs/dbraw/zinc/41/06/11/386410611.db2.gz XUZZRNSWTIVTCG-UHFFFAOYSA-N -1 3 221.260 2.032 20 0 BEADHM CCO[N-]C(=O)Nc1cc(C2CC2)ccn1 ZINC000290219613 386410615 /nfs/dbraw/zinc/41/06/15/386410615.db2.gz XUZZRNSWTIVTCG-UHFFFAOYSA-N -1 3 221.260 2.032 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC[C@H](C(C)C)C2)n1 ZINC000336734451 386466787 /nfs/dbraw/zinc/46/67/87/386466787.db2.gz VORNZFWYGOSTEU-NSHDSACASA-N -1 3 249.358 2.223 20 0 BEADHM CO[C@](C)(C(=O)Nc1ccccc1[O-])C1CC1 ZINC000291006002 386500143 /nfs/dbraw/zinc/50/01/43/386500143.db2.gz UJOYOFAITQJAAG-ZDUSSCGKSA-N -1 3 235.283 2.146 20 0 BEADHM CCCCOCC(=O)[N-]c1onc(C)c1C ZINC000267226631 386514376 /nfs/dbraw/zinc/51/43/76/386514376.db2.gz OWJPZICSPZBXLH-UHFFFAOYSA-N -1 3 226.276 2.047 20 0 BEADHM CCC1(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000267301820 386524931 /nfs/dbraw/zinc/52/49/31/386524931.db2.gz FXRAWINPHNGLQG-UHFFFAOYSA-N -1 3 237.274 2.338 20 0 BEADHM CC[C@H]1CN(Cc2cc([O-])cc(F)c2)CCO1 ZINC000184147943 386574911 /nfs/dbraw/zinc/57/49/11/386574911.db2.gz IZECISLLFCHBJY-ZDUSSCGKSA-N -1 3 239.290 2.142 20 0 BEADHM CN(CCC(F)(F)F)C(=O)c1ccccc1[O-] ZINC000098109400 386578780 /nfs/dbraw/zinc/57/87/80/386578780.db2.gz LZQSCOQHKVXWQM-UHFFFAOYSA-N -1 3 247.216 2.417 20 0 BEADHM CC[C@@H](C)CON=C([O-])Nc1cnn(CC)c1 ZINC000291803070 386584634 /nfs/dbraw/zinc/58/46/34/386584634.db2.gz PTZCTRZPGUTPHU-SECBINFHSA-N -1 3 240.307 2.002 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Nc1cnn(CC)c1 ZINC000291803070 386584644 /nfs/dbraw/zinc/58/46/44/386584644.db2.gz PTZCTRZPGUTPHU-SECBINFHSA-N -1 3 240.307 2.002 20 0 BEADHM O=C(CCCn1cccc1)[N-]OC/C=C/Cl ZINC000291891087 386595315 /nfs/dbraw/zinc/59/53/15/386595315.db2.gz RGTKNSGPXDFPKW-GQCTYLIASA-N -1 3 242.706 2.069 20 0 BEADHM CCCN(CCC)C(=O)/C=C/c1cncc([O-])c1 ZINC000179382800 386638577 /nfs/dbraw/zinc/63/85/77/386638577.db2.gz MKLDYOUBAVTUER-AATRIKPKSA-N -1 3 248.326 2.449 20 0 BEADHM CC[C@](C)([N-]C(=O)C(F)F)c1nc(C)cs1 ZINC000279230663 386653162 /nfs/dbraw/zinc/65/31/62/386653162.db2.gz RHTBWXNGTILYQN-JTQLQIEISA-N -1 3 248.298 2.458 20 0 BEADHM C[C@@H](NCc1ccccc1OCC1CC1)C(=O)[O-] ZINC000340673670 386654965 /nfs/dbraw/zinc/65/49/65/386654965.db2.gz KMAATEBITUJKNP-SNVBAGLBSA-N -1 3 249.310 2.038 20 0 BEADHM Cc1cncc(NC(=O)c2cccc([O-])c2)c1 ZINC000182570209 386682634 /nfs/dbraw/zinc/68/26/34/386682634.db2.gz GJWDPESIIMGZEQ-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM Cn1c(SCCCC(C)(C)C)n[n-]c1=O ZINC000337270439 386686444 /nfs/dbraw/zinc/68/64/44/386686444.db2.gz MRMDEHODCXQFEA-UHFFFAOYSA-N -1 3 229.349 2.439 20 0 BEADHM COC(=O)c1cnc(S[C@@H]2CC[C@H](C)C2)[n-]1 ZINC000292606487 386696557 /nfs/dbraw/zinc/69/65/57/386696557.db2.gz IIRVGHQOPHDEDX-JGVFFNPUSA-N -1 3 240.328 2.477 20 0 BEADHM C/C=C(\CC)C(=O)Nc1nc(C)ccc1[O-] ZINC000280235747 386793193 /nfs/dbraw/zinc/79/31/93/386793193.db2.gz XWUIVCXSYVIBDO-RUDMXATFSA-N -1 3 220.272 2.390 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H]2F)c1 ZINC000340780716 386772915 /nfs/dbraw/zinc/77/29/15/386772915.db2.gz QBWXIXOXZCJRRX-MNOVXSKESA-N -1 3 237.274 2.321 20 0 BEADHM CSCCON=C([O-])Nc1cccc(C)c1 ZINC000280584376 386826264 /nfs/dbraw/zinc/82/62/64/386826264.db2.gz SHQMXTFIPCLFLQ-UHFFFAOYSA-N -1 3 240.328 2.411 20 0 BEADHM CSCCO[N-]C(=O)Nc1cccc(C)c1 ZINC000280584376 386826269 /nfs/dbraw/zinc/82/62/69/386826269.db2.gz SHQMXTFIPCLFLQ-UHFFFAOYSA-N -1 3 240.328 2.411 20 0 BEADHM O=[S@](CCC1CC1)c1ccc([O-])cc1 ZINC000357838995 386853299 /nfs/dbraw/zinc/85/32/99/386853299.db2.gz NDTRTVFQTUDRQX-CQSZACIVSA-N -1 3 210.298 2.300 20 0 BEADHM CN(CCF)Cc1c(F)ccc([O-])c1F ZINC000293621731 386848656 /nfs/dbraw/zinc/84/86/56/386848656.db2.gz KVPPHEWKVAYGJA-UHFFFAOYSA-N -1 3 219.206 2.072 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Cc1cccnc1C ZINC000293694055 386862181 /nfs/dbraw/zinc/86/21/81/386862181.db2.gz KJYZODGXXBMTOB-SNVBAGLBSA-N -1 3 236.315 2.026 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccncc1C ZINC000293712359 386867766 /nfs/dbraw/zinc/86/77/66/386867766.db2.gz LWNWZBMOVFFKPE-SNVBAGLBSA-N -1 3 236.315 2.026 20 0 BEADHM O=C(CCc1cccs1)[N-]OCC1CC1 ZINC000293829166 386887315 /nfs/dbraw/zinc/88/73/15/386887315.db2.gz SFDWDSZKQWWHQH-UHFFFAOYSA-N -1 3 225.313 2.139 20 0 BEADHM Cc1c[nH]cc1C(=O)Nc1ccc([O-])cc1F ZINC000335772747 386919311 /nfs/dbraw/zinc/91/93/11/386919311.db2.gz LFPJVHGIGNDVMR-UHFFFAOYSA-N -1 3 234.230 2.420 20 0 BEADHM Cc1o[n-]c(=NC(=O)c2cc(C(C)C)no2)c1C ZINC000334854541 386907357 /nfs/dbraw/zinc/90/73/57/386907357.db2.gz CXSMSXZWLYYTSM-UHFFFAOYSA-N -1 3 249.270 2.077 20 0 BEADHM Cc1cc(C(=O)N=c2[n-]oc(C)c2C)c(C)o1 ZINC000334855984 386907372 /nfs/dbraw/zinc/90/73/72/386907372.db2.gz LVZLKLNQQPXABC-UHFFFAOYSA-N -1 3 234.255 2.175 20 0 BEADHM CO[C@H](C(=O)Nc1ccc(C)cc1[O-])C(C)C ZINC000350118411 386937915 /nfs/dbraw/zinc/93/79/15/386937915.db2.gz UMZDEJUWTAVUDB-LBPRGKRZSA-N -1 3 237.299 2.310 20 0 BEADHM CCc1cc(=O)[n-]c(CN2C[C@H]3CCCC[C@H]32)n1 ZINC000368099058 386941817 /nfs/dbraw/zinc/94/18/17/386941817.db2.gz LTOXBWWUGQEFNB-ZYHUDNBSSA-N -1 3 247.342 2.119 20 0 BEADHM O=C(CC1CCCCC1)NCc1ncccc1[O-] ZINC000330993692 386943423 /nfs/dbraw/zinc/94/34/23/386943423.db2.gz BTBNVHRQCBHWMN-UHFFFAOYSA-N -1 3 248.326 2.374 20 0 BEADHM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1[O-] ZINC000458291391 386975418 /nfs/dbraw/zinc/97/54/18/386975418.db2.gz YAWWAIBLJLXGTP-ADEWGFFLSA-N -1 3 231.295 2.311 20 0 BEADHM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1[O-] ZINC000458291398 386976088 /nfs/dbraw/zinc/97/60/88/386976088.db2.gz YAWWAIBLJLXGTP-USWWRNFRSA-N -1 3 231.295 2.311 20 0 BEADHM CO[C@H](C(=O)Nc1ccccc1[O-])C(C)C ZINC000352989360 386984164 /nfs/dbraw/zinc/98/41/64/386984164.db2.gz MKJZYBCOLBXMGW-NSHDSACASA-N -1 3 223.272 2.002 20 0 BEADHM CCc1cc(C(=O)N2CC[C@H](F)C2)ccc1[O-] ZINC000334916809 386991840 /nfs/dbraw/zinc/99/18/40/386991840.db2.gz GOHCDYLVPGEJGM-NSHDSACASA-N -1 3 237.274 2.139 20 0 BEADHM CC(=O)c1ccsc1[N-]C(=O)C(F)(F)F ZINC000575460328 387037360 /nfs/dbraw/zinc/03/73/60/387037360.db2.gz ACKIWXQKJXGKLT-UHFFFAOYSA-N -1 3 237.202 2.452 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)n1 ZINC000333636187 387047609 /nfs/dbraw/zinc/04/76/09/387047609.db2.gz BEDRFJLFELSYQL-VWYCJHECSA-N -1 3 246.310 2.470 20 0 BEADHM Cc1cc(C(=O)N=c2[n-]oc(C)c2C)oc1C ZINC000334883763 387027865 /nfs/dbraw/zinc/02/78/65/387027865.db2.gz QCWNZUCXYRSWGJ-UHFFFAOYSA-N -1 3 234.255 2.175 20 0 BEADHM CCC[C@H]1C[C@H]1C(=O)Nc1ncccc1[O-] ZINC000359846496 387176971 /nfs/dbraw/zinc/17/69/71/387176971.db2.gz KSVSKUPVBXTCHN-DTWKUNHWSA-N -1 3 220.272 2.162 20 0 BEADHM CCN(Cc1cccc([O-])c1Cl)C[C@@H](C)O ZINC000353460274 387206981 /nfs/dbraw/zinc/20/69/81/387206981.db2.gz KQHKHIQNIWYJOJ-SECBINFHSA-N -1 3 243.734 2.248 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2CC(C)C2)c1 ZINC000336378295 387209252 /nfs/dbraw/zinc/20/92/52/387209252.db2.gz VWLBGPYHYQACJX-UHFFFAOYSA-N -1 3 219.284 2.047 20 0 BEADHM C[C@@H]1Cc2ccccc2CN1CC1(C(=O)[O-])CC1 ZINC000572047756 387228037 /nfs/dbraw/zinc/22/80/37/387228037.db2.gz BRPXGESILNIPGN-LLVKDONJSA-N -1 3 245.322 2.298 20 0 BEADHM Cc1ccc(C(=O)NCc2ccc[nH]2)c([O-])c1C ZINC000336403038 387232697 /nfs/dbraw/zinc/23/26/97/387232697.db2.gz VJMSVSAFRBECCI-UHFFFAOYSA-N -1 3 244.294 2.267 20 0 BEADHM CCC[C@H]1C[C@@H]1C(=O)N=c1[nH][n-]c(CC)c1C ZINC000360197334 387241067 /nfs/dbraw/zinc/24/10/67/387241067.db2.gz FKWPYMBKFICROQ-UWVGGRQHSA-N -1 3 235.331 2.077 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@H](C)CF)c1 ZINC000360590543 387315586 /nfs/dbraw/zinc/31/55/86/387315586.db2.gz FRFJQRSGWGQNFM-MRVPVSSYSA-N -1 3 225.263 2.042 20 0 BEADHM CC(C)C[C@H](C)C(=O)NCc1ncccc1[O-] ZINC000352509399 387268886 /nfs/dbraw/zinc/26/88/86/387268886.db2.gz PIUCMFKBALAVAD-JTQLQIEISA-N -1 3 236.315 2.086 20 0 BEADHM CO[C@@H](C(=O)Nc1cc(F)ccc1[O-])C(C)C ZINC000353780622 387275481 /nfs/dbraw/zinc/27/54/81/387275481.db2.gz QVQKAQVPOGMLCR-LLVKDONJSA-N -1 3 241.262 2.141 20 0 BEADHM Cc1ccncc1CN(C)Cc1ncccc1[O-] ZINC000515332089 387364205 /nfs/dbraw/zinc/36/42/05/387364205.db2.gz PICQEUIDXDGNDL-UHFFFAOYSA-N -1 3 243.310 2.123 20 0 BEADHM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(O)cc1[O-] ZINC000648604552 387377777 /nfs/dbraw/zinc/37/77/77/387377777.db2.gz PXMHONBPOCVHES-JFUSQASVSA-N -1 3 247.294 2.016 20 0 BEADHM CCc1ccc([O-])c(C(=O)NCc2ccco2)c1 ZINC000354140313 387336332 /nfs/dbraw/zinc/33/63/32/387336332.db2.gz ZZWRMFOONVPTTC-UHFFFAOYSA-N -1 3 245.278 2.478 20 0 BEADHM C[C@@H]([N-]C(=O)[C@@H](C)C(F)(F)F)C(F)(F)F ZINC000360696010 387337587 /nfs/dbraw/zinc/33/75/87/387337587.db2.gz QWCAPQLKOKASCJ-QWWZWVQMSA-N -1 3 237.143 2.252 20 0 BEADHM C[C@@H]([N-]C(=O)[C@H](C)C(F)(F)F)C(F)(F)F ZINC000360696009 387338371 /nfs/dbraw/zinc/33/83/71/387338371.db2.gz QWCAPQLKOKASCJ-IUYQGCFVSA-N -1 3 237.143 2.252 20 0 BEADHM COC[C@H](C)CC(=O)Nc1c(C)cccc1[O-] ZINC000352684295 387435475 /nfs/dbraw/zinc/43/54/75/387435475.db2.gz KPGKVPPUOYAUMG-SECBINFHSA-N -1 3 237.299 2.312 20 0 BEADHM COc1cc(C(=O)N2[C@H](C)C[C@@H]2C)ccc1[O-] ZINC000336606465 387449168 /nfs/dbraw/zinc/44/91/68/387449168.db2.gz RZVPYBXPQQLPLF-DTORHVGOSA-N -1 3 235.283 2.024 20 0 BEADHM Cc1ccc([O-])c(NC(=O)c2ccsc2)n1 ZINC000336560840 387386553 /nfs/dbraw/zinc/38/65/53/387386553.db2.gz PSDXFHSZRINNGY-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM Cc1ccc(C(=O)NCc2nccs2)c([O-])c1 ZINC000042339694 387626112 /nfs/dbraw/zinc/62/61/12/387626112.db2.gz ZVQFBSURHQUJPJ-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000397220335 387551760 /nfs/dbraw/zinc/55/17/60/387551760.db2.gz FHRVODLDDGDDBO-TZMCWYRMSA-N -1 3 249.310 2.262 20 0 BEADHM Cc1n[nH]c(C)c1NC(=O)c1ccc(C)cc1[O-] ZINC000036734057 387555836 /nfs/dbraw/zinc/55/58/36/387555836.db2.gz SULWJBFPGQXNPY-UHFFFAOYSA-N -1 3 245.282 2.293 20 0 BEADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C1CC1 ZINC000362007639 387561067 /nfs/dbraw/zinc/56/10/67/387561067.db2.gz BBSGSLKNYXSFTC-GFCCVEGCSA-N -1 3 231.295 2.407 20 0 BEADHM COc1cccc(C(=O)N(C)[C@@H](C)C2CC2)c1[O-] ZINC000035207585 387561797 /nfs/dbraw/zinc/56/17/97/387561797.db2.gz YQDGMUJHRJPBPZ-VIFPVBQESA-N -1 3 249.310 2.271 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c([O-])c1 ZINC000356349601 387648437 /nfs/dbraw/zinc/64/84/37/387648437.db2.gz BDUVZSPTCDNESP-OASPWFOLSA-N -1 3 247.294 2.064 20 0 BEADHM CC[C@@H](NC(=O)c1ccccc1[O-])C(F)F ZINC000452244849 387778971 /nfs/dbraw/zinc/77/89/71/387778971.db2.gz JLLWDELQLWCULO-MRVPVSSYSA-N -1 3 229.226 2.166 20 0 BEADHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1ccccc1[O-] ZINC000528113660 387848854 /nfs/dbraw/zinc/84/88/54/387848854.db2.gz ITNDIRJSIDALCI-QISWUMQESA-N -1 3 249.310 2.390 20 0 BEADHM CC(C)(C)CCNC(=O)c1cccc2nn[n-]c21 ZINC000527106376 387932581 /nfs/dbraw/zinc/93/25/81/387932581.db2.gz BPWZOLBVHCTZGZ-UHFFFAOYSA-N -1 3 246.314 2.124 20 0 BEADHM CC(C)(C)CCNC(=O)c1cccc2[n-]nnc21 ZINC000527106376 387932586 /nfs/dbraw/zinc/93/25/86/387932586.db2.gz BPWZOLBVHCTZGZ-UHFFFAOYSA-N -1 3 246.314 2.124 20 0 BEADHM CC(C)(C)CCNC(=O)c1cccc2n[n-]nc21 ZINC000527106376 387932592 /nfs/dbraw/zinc/93/25/92/387932592.db2.gz BPWZOLBVHCTZGZ-UHFFFAOYSA-N -1 3 246.314 2.124 20 0 BEADHM O=C([O-])CCCN1CC=C(C(F)(F)F)CC1 ZINC000309632837 387954529 /nfs/dbraw/zinc/95/45/29/387954529.db2.gz RNXLVYOVSOPCIE-UHFFFAOYSA-N -1 3 237.221 2.046 20 0 BEADHM Cc1ccc([O-])c(CN[C@@H](C)c2nccs2)n1 ZINC000106250033 387950950 /nfs/dbraw/zinc/95/09/50/387950950.db2.gz DMKTYAACUOOOGE-VIFPVBQESA-N -1 3 249.339 2.403 20 0 BEADHM COc1ccccc1C(=O)Nc1ncccc1[O-] ZINC000082260927 388018927 /nfs/dbraw/zinc/01/89/27/388018927.db2.gz JXRFQUWSACBBKA-UHFFFAOYSA-N -1 3 244.250 2.048 20 0 BEADHM CCCn1c(=O)[n-]nc1SC[C@@H](F)CC ZINC000440567929 388055702 /nfs/dbraw/zinc/05/57/02/388055702.db2.gz IYKPUMQBULWCCS-ZETCQYMHSA-N -1 3 233.312 2.234 20 0 BEADHM CC[C@H](F)CSc1ncc(C(=O)OC)[n-]1 ZINC000440585491 388057045 /nfs/dbraw/zinc/05/70/45/388057045.db2.gz SFVBRNDQPABNHK-LURJTMIESA-N -1 3 232.280 2.037 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)c1ccccn1 ZINC000085203857 388085060 /nfs/dbraw/zinc/08/50/60/388085060.db2.gz MOQDZVXXGBELMO-UHFFFAOYSA-N -1 3 232.214 2.179 20 0 BEADHM Cc1cc(C(=O)Nc2ccc([O-])cc2F)no1 ZINC000085203754 388085357 /nfs/dbraw/zinc/08/53/57/388085357.db2.gz AICVOUORWFIOKS-UHFFFAOYSA-N -1 3 236.202 2.080 20 0 BEADHM C[C@@H]1CC=C(C(=O)Nc2ncccc2[O-])CC1 ZINC000456009110 388171256 /nfs/dbraw/zinc/17/12/56/388171256.db2.gz PFCMRVCADZHPNR-SECBINFHSA-N -1 3 232.283 2.472 20 0 BEADHM O=C(/C=C\C1CCOCC1)Nc1ccccc1[O-] ZINC000492305557 388341061 /nfs/dbraw/zinc/34/10/61/388341061.db2.gz WPPHGRYUCOADGR-WAYWQWQTSA-N -1 3 247.294 2.314 20 0 BEADHM CC1(NC(=O)/C=C\c2cncc([O-])c2)CCCC1 ZINC000492318827 388341348 /nfs/dbraw/zinc/34/13/48/388341348.db2.gz JSPKTGMKJHLRDW-PLNGDYQASA-N -1 3 246.310 2.249 20 0 BEADHM Cc1ccc(F)c(CN(C)[C@H](C)C(=O)[O-])c1 ZINC000235160714 388366494 /nfs/dbraw/zinc/36/64/94/388366494.db2.gz MEWAJSNDHPYJEO-SECBINFHSA-N -1 3 225.263 2.039 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000649229376 388463496 /nfs/dbraw/zinc/46/34/96/388463496.db2.gz YUHPQUBPYLCKIL-HZMBPMFUSA-N -1 3 247.342 2.392 20 0 BEADHM CC(=O)c1c[nH]c(C(=O)Nc2cccc([O-])c2)c1 ZINC000170224874 388468194 /nfs/dbraw/zinc/46/81/94/388468194.db2.gz QYBLBMGKGBKGEO-UHFFFAOYSA-N -1 3 244.250 2.175 20 0 BEADHM CCC1(NC(=O)c2cccc(OC)c2[O-])CC1 ZINC000295833541 388414780 /nfs/dbraw/zinc/41/47/80/388414780.db2.gz IQQXHFUILOIBNV-UHFFFAOYSA-N -1 3 235.283 2.073 20 0 BEADHM CC[C@H]1CCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000166410076 388426515 /nfs/dbraw/zinc/42/65/15/388426515.db2.gz CTYQTAJBCNFXIQ-VIFPVBQESA-N -1 3 223.272 2.210 20 0 BEADHM COc1ccc(C)cc1/C=C/C(=O)[N-]OC(C)C ZINC000393485650 388431639 /nfs/dbraw/zinc/43/16/39/388431639.db2.gz FLHCIZCYPDQZQG-SOFGYWHQSA-N -1 3 249.310 2.473 20 0 BEADHM O=S(=O)([N-]c1cccc2cc[nH]c21)C1CC1 ZINC000548478245 388541882 /nfs/dbraw/zinc/54/18/82/388541882.db2.gz KBOIBBMFZHESPU-UHFFFAOYSA-N -1 3 236.296 2.072 20 0 BEADHM Cc1cc(NC(=O)c2nc[n-]n2)ccc1C1CC1 ZINC000548517728 388545407 /nfs/dbraw/zinc/54/54/07/388545407.db2.gz VMFGGRKLNUVXCQ-UHFFFAOYSA-N -1 3 242.282 2.243 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000397855838 388506342 /nfs/dbraw/zinc/50/63/42/388506342.db2.gz UWJCJUSTNQNVAR-JGPRNRPPSA-N -1 3 231.295 2.229 20 0 BEADHM [O-]c1cc(F)cc(CNc2cnccc2CO)c1 ZINC000185601614 388589236 /nfs/dbraw/zinc/58/92/36/388589236.db2.gz POVMJFTUBVRVLB-UHFFFAOYSA-N -1 3 248.257 2.031 20 0 BEADHM O=C([O-])[C@@H]1c2ccoc2CCN1[C@@H]1C=CCCC1 ZINC000530166126 388617650 /nfs/dbraw/zinc/61/76/50/388617650.db2.gz KHYNLFQCENQPRB-MFKMUULPSA-N -1 3 247.294 2.372 20 0 BEADHM O=C(Nc1ccccc1[O-])[C@@H](O)C1CCCCC1 ZINC000187397535 388608830 /nfs/dbraw/zinc/60/88/30/388608830.db2.gz NMTOUHRPJAWDOU-ZDUSSCGKSA-N -1 3 249.310 2.272 20 0 BEADHM CC1(C)CC(CNC(=O)c2c([O-])cccc2O)C1 ZINC000548736284 388556496 /nfs/dbraw/zinc/55/64/96/388556496.db2.gz PSDHWOULYVLSAP-UHFFFAOYSA-N -1 3 249.310 2.264 20 0 BEADHM C[C@@H](NC(=O)c1csc(=O)[n-]1)C(C)(C)C ZINC000517580067 256828716 /nfs/dbraw/zinc/82/87/16/256828716.db2.gz RBWIJTGCYMZRCC-ZCFIWIBFSA-N -1 3 228.317 2.013 20 0 BEADHM C[C@H](c1cnccn1)[S@](=O)c1cccc([O-])c1 ZINC000184839699 388583079 /nfs/dbraw/zinc/58/30/79/388583079.db2.gz DARNRMUXZYHOIC-XLFHBGCDSA-N -1 3 248.307 2.051 20 0 BEADHM C[C@H](c1cnccn1)[S@](=O)c1ccc([O-])cc1 ZINC000184831241 388583317 /nfs/dbraw/zinc/58/33/17/388583317.db2.gz NZQBNXPMFWZSQC-XLFHBGCDSA-N -1 3 248.307 2.051 20 0 BEADHM CN(Cc1cccc([O-])c1Cl)[C@@H]1CCOC1 ZINC000328195096 388586001 /nfs/dbraw/zinc/58/60/01/388586001.db2.gz DUCXSOLOBXHAAQ-SNVBAGLBSA-N -1 3 241.718 2.266 20 0 BEADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](C)C1 ZINC000085828084 388675373 /nfs/dbraw/zinc/67/53/73/388675373.db2.gz GQKNYKFMVWIRTO-BDAKNGLRSA-N -1 3 223.272 2.381 20 0 BEADHM C[C@@H]1C[C@@H](NC(=O)c2cccc([O-])c2)C[C@H](C)O1 ZINC000248408419 388679189 /nfs/dbraw/zinc/67/91/89/388679189.db2.gz FBLNGNUCURJVBB-PEGIJTEDSA-N -1 3 249.310 2.078 20 0 BEADHM C[C@H]1CC[C@H](NC(=O)c2c([O-])cccc2O)CC1 ZINC000246198528 388622342 /nfs/dbraw/zinc/62/23/42/388622342.db2.gz LRVNKAXXZFFVII-MGCOHNPYSA-N -1 3 249.310 2.406 20 0 BEADHM C[C@@H](O)CCCNCc1cccc([O-])c1Cl ZINC000328373936 388641575 /nfs/dbraw/zinc/64/15/75/388641575.db2.gz XBOHHBFZDDOHEI-SECBINFHSA-N -1 3 243.734 2.296 20 0 BEADHM Cc1cc(C(=O)NC(C)(C)C)ccc1[O-] ZINC000226953665 388735011 /nfs/dbraw/zinc/73/50/11/388735011.db2.gz NAAHHPAQCJMJQT-UHFFFAOYSA-N -1 3 207.273 2.229 20 0 BEADHM Cc1ccc(NC(=O)Cc2cncc([O-])c2)cc1 ZINC000553179185 388751877 /nfs/dbraw/zinc/75/18/77/388751877.db2.gz SMSSPQVVYLVREK-UHFFFAOYSA-N -1 3 242.278 2.277 20 0 BEADHM COc1ccc(C(=O)NC[C@@H]2CC2(C)C)c([O-])c1 ZINC000226260009 388713612 /nfs/dbraw/zinc/71/36/12/388713612.db2.gz CKMPFYSLOLPXLL-VIFPVBQESA-N -1 3 249.310 2.177 20 0 BEADHM Cc1cccc(C(=O)NC2(C3CC3)CC2)c1[O-] ZINC000538782079 388724332 /nfs/dbraw/zinc/72/43/32/388724332.db2.gz OPBSDXCHMFTEAI-UHFFFAOYSA-N -1 3 231.295 2.373 20 0 BEADHM CCC[C@@H](C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000553323654 388763516 /nfs/dbraw/zinc/76/35/16/388763516.db2.gz TVYOYPOZBFBBBK-SNVBAGLBSA-N -1 3 231.299 2.131 20 0 BEADHM C[C@H](CC1CC1)NC(=O)c1ccccc1[O-] ZINC000069670518 388857962 /nfs/dbraw/zinc/85/79/62/388857962.db2.gz YVAPGDMUGMORDV-SECBINFHSA-N -1 3 219.284 2.311 20 0 BEADHM CCN(CC(F)F)C(=O)c1cccc([O-])c1 ZINC000273374760 389039444 /nfs/dbraw/zinc/03/94/44/389039444.db2.gz GZDUYBZBBDUZOF-UHFFFAOYSA-N -1 3 229.226 2.119 20 0 BEADHM Cc1cccc(C(=O)NCCc2ccco2)c1[O-] ZINC000042209168 322836674 /nfs/dbraw/zinc/83/66/74/322836674.db2.gz OZBXCKFQWDNRKI-UHFFFAOYSA-N -1 3 245.278 2.266 20 0 BEADHM CC1CN(Cc2c(F)ccc([O-])c2F)C1 ZINC000335914189 133991788 /nfs/dbraw/zinc/99/17/88/133991788.db2.gz YCJBQVRPDXHKIK-UHFFFAOYSA-N -1 3 213.227 2.122 20 0 BEADHM CN(C(=O)c1csc(=O)[n-]1)C1CCCCC1 ZINC000336056813 134066951 /nfs/dbraw/zinc/06/69/51/134066951.db2.gz LALBYPTULQXSOO-UHFFFAOYSA-N -1 3 240.328 2.253 20 0 BEADHM C[C@@H]1CC[C@@H](N(C)C(=O)c2csc(=O)[n-]2)C1 ZINC000336068246 134071137 /nfs/dbraw/zinc/07/11/37/134071137.db2.gz JUIMLWSCGFQZJM-HTQZYQBOSA-N -1 3 240.328 2.109 20 0 BEADHM COc1ccc(C(=O)N2[C@@H](C)C[C@@H]2C)c([O-])c1 ZINC000336157568 134106604 /nfs/dbraw/zinc/10/66/04/134106604.db2.gz KOZPCQZXZZZMMW-IUCAKERBSA-N -1 3 235.283 2.024 20 0 BEADHM COc1ccc([O-])c(C(=O)NCC2(C)CCC2)c1 ZINC000176111128 134290575 /nfs/dbraw/zinc/29/05/75/134290575.db2.gz WZNYWXJPYUCFGZ-UHFFFAOYSA-N -1 3 249.310 2.321 20 0 BEADHM CCc1cccc(F)c1CN(C)CCC(=O)[O-] ZINC000263394970 135126596 /nfs/dbraw/zinc/12/65/96/135126596.db2.gz GGPRBUQEJAVXCI-UHFFFAOYSA-N -1 3 239.290 2.295 20 0 BEADHM CCc1cccc(Cl)c1CN[C@@H](C)C(=O)[O-] ZINC000261564083 135206216 /nfs/dbraw/zinc/20/62/16/135206216.db2.gz CFOLMSKHICOQMA-QMMMGPOBSA-N -1 3 241.718 2.465 20 0 BEADHM COCC1(NCc2ccc(C(=O)[O-])cc2)CCC1 ZINC000261985480 135269421 /nfs/dbraw/zinc/26/94/21/135269421.db2.gz JUXRFGYAQJTEKK-UHFFFAOYSA-N -1 3 249.310 2.044 20 0 BEADHM C[C@@H](C(=O)[O-])N(Cc1ccccc1F)C1CC1 ZINC000262262689 135288189 /nfs/dbraw/zinc/28/81/89/135288189.db2.gz RIEKAKCGYLRSSQ-VIFPVBQESA-N -1 3 237.274 2.263 20 0 BEADHM Cc1cccc(CN(C)C[C@H](C)C(=O)[O-])c1F ZINC000262744432 135316402 /nfs/dbraw/zinc/31/64/02/135316402.db2.gz AXIRGZFVXNCPOA-JTQLQIEISA-N -1 3 239.290 2.287 20 0 BEADHM Cc1ocnc1C(=O)Nc1ccc(C)cc1[O-] ZINC000334297005 135334590 /nfs/dbraw/zinc/33/45/90/135334590.db2.gz ADOGBBAULUCDTL-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM CC[C@@H](N[C@H](C)C(=O)[O-])c1cc(F)ccc1F ZINC000263165732 135336581 /nfs/dbraw/zinc/33/65/81/135336581.db2.gz PYSPZRQOCYRJBO-RDDDGLTNSA-N -1 3 243.253 2.479 20 0 BEADHM CSc1nnc(NC(=O)c2cccc(C)c2)[n-]1 ZINC000334343318 135364516 /nfs/dbraw/zinc/36/45/16/135364516.db2.gz LXVFDIJSBGZUNV-UHFFFAOYSA-N -1 3 248.311 2.087 20 0 BEADHM CSc1n[n-]c(NC(=O)c2cccc(C)c2)n1 ZINC000334343318 135364517 /nfs/dbraw/zinc/36/45/17/135364517.db2.gz LXVFDIJSBGZUNV-UHFFFAOYSA-N -1 3 248.311 2.087 20 0 BEADHM CSc1nc(NC(=O)c2cccc(C)c2)n[n-]1 ZINC000334343318 135364518 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249.310 2.086 20 0 BEADHM C[C@@H]1CC/C(=C\C(=O)Nc2ncccc2[O-])C1 ZINC000268109153 176056726 /nfs/dbraw/zinc/05/67/26/176056726.db2.gz QDIOAHTVKHZRIR-NCXKZPMSSA-N -1 3 232.283 2.472 20 0 BEADHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000188555373 176081308 /nfs/dbraw/zinc/08/13/08/176081308.db2.gz KDGOMLBJDOGLJG-ZJUUUORDSA-N -1 3 243.328 2.137 20 0 BEADHM C[C@@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000051330210 176100359 /nfs/dbraw/zinc/10/03/59/176100359.db2.gz RGASWJLSBDKPIR-SECBINFHSA-N -1 3 223.272 2.210 20 0 BEADHM C[C@@H]1CCC[C@H]1CC(=O)[N-]OCc1cccnc1 ZINC000184775357 176147760 /nfs/dbraw/zinc/14/77/60/176147760.db2.gz HDWZYYMBUYPMOO-YPMHNXCESA-N -1 3 248.326 2.456 20 0 BEADHM C[C@@H]1CCC[C@H]1NC(=O)c1c([O-])cccc1O ZINC000220468063 176149893 /nfs/dbraw/zinc/14/98/93/176149893.db2.gz PVIKXQCMGTXAFM-RKDXNWHRSA-N -1 3 235.283 2.016 20 0 BEADHM C[C@@H]1CCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000071264847 176174805 /nfs/dbraw/zinc/17/48/05/176174805.db2.gz CKEMTVOJJXZWMU-SECBINFHSA-N -1 3 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/nfs/dbraw/zinc/23/07/52/324230752.db2.gz STCWHBMWGZKMLX-VIFPVBQESA-N -1 3 232.283 2.306 20 0 BEADHM COc1cc(C(=O)NCC2CC=CC2)ccc1[O-] ZINC000529711543 324386217 /nfs/dbraw/zinc/38/62/17/324386217.db2.gz VVQANMIZOCXQHE-UHFFFAOYSA-N -1 3 247.294 2.097 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCC2CC=CC2)c1 ZINC000529712830 324387104 /nfs/dbraw/zinc/38/71/04/324387104.db2.gz MYLKRJHYTVKWEE-UHFFFAOYSA-N -1 3 231.295 2.397 20 0 BEADHM NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000124741622 324624409 /nfs/dbraw/zinc/62/44/09/324624409.db2.gz IUTXNPBNJHFGPB-UHFFFAOYSA-N -1 3 227.263 2.082 20 0 BEADHM Cc1[nH]ccc1C(=O)Nc1cccc([O-])c1F ZINC000128344071 324828179 /nfs/dbraw/zinc/82/81/79/324828179.db2.gz BQYVWLVHYHURGQ-UHFFFAOYSA-N -1 3 234.230 2.420 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2cccnn2)n1 ZINC000542828484 325055272 /nfs/dbraw/zinc/05/52/72/325055272.db2.gz OJBUUAMVRZUKEL-MRVPVSSYSA-N -1 3 248.311 2.134 20 0 BEADHM CC[C@@H]1CO[C@@H](C)CN1CCCCCC(=O)[O-] ZINC000071286364 325066399 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/nfs/dbraw/zinc/35/88/60/527358860.db2.gz FFTHLBRFVHZRSF-BQYQJAHWSA-N -1 3 245.278 2.500 20 0 BEADHM CC(C)(C)/C=C\C(=O)N=c1cc2ccccn2[n-]1 ZINC000492803525 527553917 /nfs/dbraw/zinc/55/39/17/527553917.db2.gz SAZLWCXFHCZECH-FPLPWBNLSA-N -1 3 243.310 2.297 20 0 BEADHM CCO/C=C\C(=O)Nc1c(C)cccc1[O-] ZINC000493187737 528539012 /nfs/dbraw/zinc/53/90/12/528539012.db2.gz KWFPWIULVJOZPU-FPLPWBNLSA-N -1 3 221.256 2.189 20 0 BEADHM CCN(C(=O)/C=C/c1cncc([O-])c1)C1CCC1 ZINC000492522866 528907784 /nfs/dbraw/zinc/90/77/84/528907784.db2.gz VLGDYRRVFVLBGN-VOTSOKGWSA-N -1 3 246.310 2.201 20 0 BEADHM CCOC([O-])=NOCCc1ccc(C)cc1 ZINC000496099182 529084259 /nfs/dbraw/zinc/08/42/59/529084259.db2.gz FKYPDEJCSQUSRO-UHFFFAOYSA-N -1 3 223.272 2.215 20 0 BEADHM CCOC(=O)[N-]OCCc1ccc(C)cc1 ZINC000496099182 529084262 /nfs/dbraw/zinc/08/42/62/529084262.db2.gz FKYPDEJCSQUSRO-UHFFFAOYSA-N -1 3 223.272 2.215 20 0 BEADHM CC[C@H](C)[C@H](OC)C(=O)[N-]c1onc(C)c1C ZINC000359581272 536007521 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/nfs/dbraw/zinc/75/95/40/588759540.db2.gz WLWSCIDIBCRFMU-UHFFFAOYSA-N -1 3 213.277 2.244 20 0 BEADHM CCOC(=O)[N-]OCC12CCC(CC1)C2 ZINC000853728016 588759541 /nfs/dbraw/zinc/75/95/41/588759541.db2.gz WLWSCIDIBCRFMU-UHFFFAOYSA-N -1 3 213.277 2.244 20 0 BEADHM CCOC([O-])=NOC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000853727005 588759625 /nfs/dbraw/zinc/75/96/25/588759625.db2.gz INVARBVFVABXMP-BBBLOLIVSA-N -1 3 213.277 2.100 20 0 BEADHM CCOC(=O)[N-]OC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000853727005 588759626 /nfs/dbraw/zinc/75/96/26/588759626.db2.gz INVARBVFVABXMP-BBBLOLIVSA-N -1 3 213.277 2.100 20 0 BEADHM FC(F)c1nnc([N-][C@@H]2C=CCC2)o1 ZINC000853800522 588763981 /nfs/dbraw/zinc/76/39/81/588763981.db2.gz VJGRXAFGOFLQNG-RXMQYKEDSA-N -1 3 201.176 2.138 20 0 BEADHM Cc1nc(NC([O-])=NOCC2CCC2)oc1C ZINC000853870328 588766906 /nfs/dbraw/zinc/76/69/06/588766906.db2.gz LVMNRLORGMLKIJ-UHFFFAOYSA-N -1 3 239.275 2.145 20 0 BEADHM Cc1nc(NC(=O)[N-]OCC2CCC2)oc1C ZINC000853870328 588766907 /nfs/dbraw/zinc/76/69/07/588766907.db2.gz LVMNRLORGMLKIJ-UHFFFAOYSA-N -1 3 239.275 2.145 20 0 BEADHM C[C@H]1CCCC[C@H]1C[N-]C(=O)C(F)(F)F ZINC000112022445 588780604 /nfs/dbraw/zinc/78/06/04/588780604.db2.gz NVCPPYLLAYMUPP-YUMQZZPRSA-N -1 3 223.238 2.491 20 0 BEADHM CC(=O)CC(C)(C)CC(=O)[N-]Oc1ccccc1 ZINC000854536243 588791397 /nfs/dbraw/zinc/79/13/97/588791397.db2.gz FOFHQGSFJXLBEF-UHFFFAOYSA-N -1 3 249.310 2.492 20 0 BEADHM CC(C)(CC(F)(F)F)C(=O)[N-]OCC1CC1 ZINC000854638527 588798758 /nfs/dbraw/zinc/79/87/58/588798758.db2.gz FQNFBLZSNABTLV-UHFFFAOYSA-N -1 3 239.237 2.423 20 0 BEADHM CC(C)O[N-]C(=O)C(C)(C)CC(F)(F)F ZINC000854752539 588805433 /nfs/dbraw/zinc/80/54/33/588805433.db2.gz DWIHMRDVSHKVHM-UHFFFAOYSA-N -1 3 227.226 2.421 20 0 BEADHM CC[C@H](C)N(CC)C(=O)/C=C/c1cncc([O-])c1 ZINC000855146463 588824213 /nfs/dbraw/zinc/82/42/13/588824213.db2.gz XFYXFPHWNUOFEL-MLRMMBSGSA-N -1 3 248.326 2.447 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@H]2C=CCC2)c1 ZINC000855429189 588834373 /nfs/dbraw/zinc/83/43/73/588834373.db2.gz CXMGDNVTBQGNAR-NSHDSACASA-N -1 3 231.295 2.403 20 0 BEADHM CC1(C(=O)[N-]OCCOc2ccccc2)CCC1 ZINC000889447683 582604955 /nfs/dbraw/zinc/60/49/55/582604955.db2.gz ADGPJCQIVLMCFX-UHFFFAOYSA-N -1 3 249.310 2.303 20 0 BEADHM [O-]c1ccc(CN2CCCc3n[nH]cc32)cc1F ZINC000813338710 582607925 /nfs/dbraw/zinc/60/79/25/582607925.db2.gz PLAWZCNRAKGDSH-UHFFFAOYSA-N -1 3 247.273 2.207 20 0 BEADHM CCc1cc(C(=O)NC/C=C\Cl)ccc1[O-] ZINC000891201788 582627849 /nfs/dbraw/zinc/62/78/49/582627849.db2.gz ZAGPWASLCDDTJH-UTCJRWHESA-N -1 3 239.702 2.437 20 0 BEADHM Cc1nc(N2CCc3sccc3C2)cc(=O)[n-]1 ZINC000891659935 582706993 /nfs/dbraw/zinc/70/69/93/582706993.db2.gz MDLLHYBVPOSSOS-UHFFFAOYSA-N -1 3 247.323 2.115 20 0 BEADHM Cc1cc(C(=O)[N-]c2nc(C3CC3)c(C)o2)on1 ZINC000892512836 582903246 /nfs/dbraw/zinc/90/32/46/582903246.db2.gz KHOHSJXVJKOJKT-UHFFFAOYSA-N -1 3 247.254 2.409 20 0 BEADHM CC1(C)C[C@]1(C)NC(=O)/C=C\c1cncc([O-])c1 ZINC000856135344 588862395 /nfs/dbraw/zinc/86/23/95/588862395.db2.gz HCTIVCLGUZCNLF-WSNITJDQSA-N -1 3 246.310 2.105 20 0 BEADHM CS[C@H](C)CCC(=O)[N-]OCC1CCC1 ZINC000856350330 588870005 /nfs/dbraw/zinc/87/00/05/588870005.db2.gz UQYRQOAHAJIHCF-SECBINFHSA-N -1 3 231.361 2.366 20 0 BEADHM Cc1cncc(CCC(=O)[N-]OCC2CCC2)c1 ZINC000856351935 588870232 /nfs/dbraw/zinc/87/02/32/588870232.db2.gz QESKNLZPTXQXKM-UHFFFAOYSA-N -1 3 248.326 2.171 20 0 BEADHM CC(C(=O)[N-]OCC1CCC1)=C1CCC1 ZINC000856345380 588868815 /nfs/dbraw/zinc/86/88/15/588868815.db2.gz XNVZPUAOLWGWOI-UHFFFAOYSA-N -1 3 209.289 2.335 20 0 BEADHM CCO[C@@H](CC(=O)[N-]OCC1CCC1)C(C)C ZINC000856348025 588869017 /nfs/dbraw/zinc/86/90/17/588869017.db2.gz MNKXTBUFANCGGT-LBPRGKRZSA-N -1 3 243.347 2.286 20 0 BEADHM CC1=C(C(=O)[N-]OCC2CCC2)CCC1 ZINC000856348785 588869314 /nfs/dbraw/zinc/86/93/14/588869314.db2.gz OUNSQHXOTCAEEA-UHFFFAOYSA-N -1 3 209.289 2.335 20 0 BEADHM COCC(C)(C)CCCNc1cc(=O)[n-]cn1 ZINC000893857722 583233631 /nfs/dbraw/zinc/23/36/31/583233631.db2.gz FYNNPXJHOCWOHT-UHFFFAOYSA-N -1 3 239.319 2.047 20 0 BEADHM Cc1nc(N2CCC[C@@H](C3CC3)C2)cc(=O)[n-]1 ZINC000893886553 583242008 /nfs/dbraw/zinc/24/20/08/583242008.db2.gz VYIMBEDSFKWNHX-LLVKDONJSA-N -1 3 233.315 2.117 20 0 BEADHM C[C@]1(CNc2cc(=O)[n-]cn2)CC1(Cl)Cl ZINC000894056437 583290912 /nfs/dbraw/zinc/29/09/12/583290912.db2.gz CKHRNDMQUMDPAF-MRVPVSSYSA-N -1 3 248.113 2.178 20 0 BEADHM CO/C(=C/c1ccccc1)C(=O)[N-]OCC(C)C ZINC000857161148 588891037 /nfs/dbraw/zinc/89/10/37/588891037.db2.gz NGWKETJEWNPNNH-UKTHLTGXSA-N -1 3 249.310 2.378 20 0 BEADHM CCN(Cc1occc1C)c1cc(=O)[n-]cn1 ZINC000894208698 583362245 /nfs/dbraw/zinc/36/22/45/583362245.db2.gz GVSGNMLGYNORFJ-UHFFFAOYSA-N -1 3 233.271 2.110 20 0 BEADHM Cc1cc(=O)[n-]c(CSc2ccncc2C)n1 ZINC000814806295 583370434 /nfs/dbraw/zinc/37/04/34/583370434.db2.gz UXVUCMADPRSEFD-UHFFFAOYSA-N -1 3 247.323 2.486 20 0 BEADHM Cc1nc(N2CC[C@@H](C3CCC3)C2)cc(=O)[n-]1 ZINC000894225608 583383614 /nfs/dbraw/zinc/38/36/14/583383614.db2.gz DWUVKZSYNQVQMU-LLVKDONJSA-N -1 3 233.315 2.117 20 0 BEADHM Cc1nc(NCC[C@@]2(C)CC2(F)F)cc(=O)[n-]1 ZINC000894561124 583482507 /nfs/dbraw/zinc/48/25/07/583482507.db2.gz ROWQOQOBPGMVGM-JTQLQIEISA-N -1 3 243.257 2.338 20 0 BEADHM C[C@]1(CCNc2cc(=O)[n-]cn2)CC1(F)F ZINC000894559964 583482895 /nfs/dbraw/zinc/48/28/95/583482895.db2.gz IRTWXUYFKUQMMM-VIFPVBQESA-N -1 3 229.230 2.030 20 0 BEADHM [O-]c1ccc(F)c(CN2CC[C@H](CF)C2)c1F ZINC000895572813 583692339 /nfs/dbraw/zinc/69/23/39/583692339.db2.gz LTFMITFNKPXAJH-MRVPVSSYSA-N -1 3 245.244 2.462 20 0 BEADHM C[C@H]1COC[C@H]1[N-]c1nc(-c2ccccc2)no1 ZINC000895904307 583742967 /nfs/dbraw/zinc/74/29/67/583742967.db2.gz BLTLIKBUPFFLTA-GXSJLCMTSA-N -1 3 245.282 2.183 20 0 BEADHM CCc1cc([N-]C(=O)c2cc(CC)on2)no1 ZINC000896519442 583808420 /nfs/dbraw/zinc/80/84/20/583808420.db2.gz ROYKLILAWQWHQY-UHFFFAOYSA-N -1 3 235.243 2.040 20 0 BEADHM CC(C)c1nccc(NCc2cncc([O-])c2)n1 ZINC000896632591 583818521 /nfs/dbraw/zinc/81/85/21/583818521.db2.gz RELSOMIECHGPQU-UHFFFAOYSA-N -1 3 244.298 2.313 20 0 BEADHM CC(C)(CNc1cc(=O)[n-]cn1)C1CC1 ZINC000896784011 583833277 /nfs/dbraw/zinc/83/32/77/583833277.db2.gz VTVGAMUSELUTGV-UHFFFAOYSA-N -1 3 207.277 2.030 20 0 BEADHM CC[C@@H](N[C@@H](C)C(=O)[O-])c1ccc(F)cc1F ZINC000737784434 583893670 /nfs/dbraw/zinc/89/36/70/583893670.db2.gz RMENDRBQWGYCFN-WRWORJQWSA-N -1 3 243.253 2.479 20 0 BEADHM Cc1cc(C(=O)O[C@H](C)C(=O)C2CC2)ccc1[O-] ZINC000798647385 583948257 /nfs/dbraw/zinc/94/82/57/583948257.db2.gz GFVQSNBOIMTMKG-SECBINFHSA-N -1 3 248.278 2.225 20 0 BEADHM C[C@@H]1C[C@H]1COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000729091355 583955816 /nfs/dbraw/zinc/95/58/16/583955816.db2.gz FAYKGIXHGWTKMU-BDAKNGLRSA-N -1 3 246.266 2.483 20 0 BEADHM C[C@@H]1C[C@H]1COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000729091355 583955817 /nfs/dbraw/zinc/95/58/17/583955817.db2.gz FAYKGIXHGWTKMU-BDAKNGLRSA-N -1 3 246.266 2.483 20 0 BEADHM O=c1nc(Cl)cc(S[C@H]2CCCOC2)[n-]1 ZINC000858478468 588958856 /nfs/dbraw/zinc/95/88/56/588958856.db2.gz ZUEJXNNANFAAPE-LURJTMIESA-N -1 3 246.719 2.107 20 0 BEADHM Cc1cccc(CO[N-]C(=O)C2=CCCCC2)n1 ZINC000898931281 584166123 /nfs/dbraw/zinc/16/61/23/584166123.db2.gz VFOKPRCHVRDGRE-UHFFFAOYSA-N -1 3 246.310 2.438 20 0 BEADHM CC[C@@H](C)CC(=O)[N-]OCc1cccc(C)n1 ZINC000898931743 584166426 /nfs/dbraw/zinc/16/64/26/584166426.db2.gz BIOYIPFQRLMLLJ-SNVBAGLBSA-N -1 3 236.315 2.374 20 0 BEADHM CCCCC(=O)[N-]OCc1cccc(C)n1 ZINC000898938426 584166674 /nfs/dbraw/zinc/16/66/74/584166674.db2.gz ZOYVYMIVPROOQM-UHFFFAOYSA-N -1 3 222.288 2.128 20 0 BEADHM CCC1(C(=O)[N-]OCc2cccc(C)n2)CC1 ZINC000898934033 584166724 /nfs/dbraw/zinc/16/67/24/584166724.db2.gz JBVHHXPWSNGKNY-UHFFFAOYSA-N -1 3 234.299 2.128 20 0 BEADHM Cc1cccc(CO[N-]C(=O)C[C@H](C)C2CC2)n1 ZINC000898936716 584166988 /nfs/dbraw/zinc/16/69/88/584166988.db2.gz XPXJYVLKCZYYSG-JTQLQIEISA-N -1 3 248.326 2.374 20 0 BEADHM CCC(C)(C)C(=O)C(=O)Nc1ccccc1[O-] ZINC000900309896 584293290 /nfs/dbraw/zinc/29/32/90/584293290.db2.gz KIMYBMLDVXBMRM-UHFFFAOYSA-N -1 3 235.283 2.336 20 0 BEADHM O=C([N-]c1noc2c1CCCC2)c1ccco1 ZINC000900774007 584349139 /nfs/dbraw/zinc/34/91/39/584349139.db2.gz MZHZFJIBAOUAGY-UHFFFAOYSA-N -1 3 232.239 2.399 20 0 BEADHM Cc1cc(C(=O)[N-]c2noc3c2CCCC3)no1 ZINC000900774041 584349406 /nfs/dbraw/zinc/34/94/06/584349406.db2.gz NGODSQSDSXIOSV-UHFFFAOYSA-N -1 3 247.254 2.102 20 0 BEADHM CCC/C=C\[C@@H](O)C(=O)Nc1c(C)cccc1[O-] ZINC000901293558 584423042 /nfs/dbraw/zinc/42/30/42/584423042.db2.gz IONFZNOMFTULSJ-VVEJJEBESA-N -1 3 249.310 2.356 20 0 BEADHM C[C@@H]1C[C@H]1c1ccc(CNCC2(C(=O)[O-])CC2)o1 ZINC000901509274 584456629 /nfs/dbraw/zinc/45/66/29/584456629.db2.gz WSXXFMPNEWXTAG-MWLCHTKSSA-N -1 3 249.310 2.357 20 0 BEADHM Cc1cc(CN(C)C[C@H](C)C(=O)[O-])c(C)o1 ZINC000901597457 584468535 /nfs/dbraw/zinc/46/85/35/584468535.db2.gz HZNITJCLXDMDLL-QMMMGPOBSA-N -1 3 225.288 2.049 20 0 BEADHM C[C@@]1(C(=O)[O-])CCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000901732575 584490834 /nfs/dbraw/zinc/49/08/34/584490834.db2.gz JJHRVIKHKMIXDR-TZMCWYRMSA-N -1 3 249.310 2.125 20 0 BEADHM CC[C@](C)(CC(=O)[O-])NCc1ncc(C)s1 ZINC000901793236 584495114 /nfs/dbraw/zinc/49/51/14/584495114.db2.gz KQWBSUCANQFAFC-LLVKDONJSA-N -1 3 242.344 2.185 20 0 BEADHM CC(C)[C@](C)(CC(=O)[O-])NCc1cscn1 ZINC000901816687 584499327 /nfs/dbraw/zinc/49/93/27/584499327.db2.gz IMKPVGDCXGZEHS-NSHDSACASA-N -1 3 242.344 2.122 20 0 BEADHM O=C([O-])c1coc(CN[C@H]2CCC23CCC3)c1 ZINC000901953683 584508035 /nfs/dbraw/zinc/50/80/35/584508035.db2.gz BOQYKQNBDJTGKG-NSHDSACASA-N -1 3 235.283 2.400 20 0 BEADHM O=C([O-])CN(Cc1cc2ccccc2[nH]1)C1CC1 ZINC000901975061 584509545 /nfs/dbraw/zinc/50/95/45/584509545.db2.gz MYGSVBOPCSFOTF-UHFFFAOYSA-N -1 3 244.294 2.217 20 0 BEADHM Cc1cnccc1CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000901995118 584511285 /nfs/dbraw/zinc/51/12/85/584511285.db2.gz XMTUTSKZZRWCRP-LLVKDONJSA-N -1 3 248.326 2.075 20 0 BEADHM C[C@H]1CC[N@H+](Cc2ccccc2[O-])[C@H](C(=O)[O-])C1 ZINC000902018906 584513882 /nfs/dbraw/zinc/51/38/82/584513882.db2.gz VLZCEUFDAMJPFU-JQWIXIFHSA-N -1 3 249.310 2.077 20 0 BEADHM C[C@H]1CC[N@@H+](Cc2ccccc2[O-])[C@H](C(=O)[O-])C1 ZINC000902018906 584513883 /nfs/dbraw/zinc/51/38/83/584513883.db2.gz VLZCEUFDAMJPFU-JQWIXIFHSA-N -1 3 249.310 2.077 20 0 BEADHM C[C@@H]1CC[N@H+](Cc2ccccc2[O-])[C@H](C(=O)[O-])C1 ZINC000902018908 584513925 /nfs/dbraw/zinc/51/39/25/584513925.db2.gz VLZCEUFDAMJPFU-PWSUYJOCSA-N -1 3 249.310 2.077 20 0 BEADHM C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])[C@H](C(=O)[O-])C1 ZINC000902018908 584513927 /nfs/dbraw/zinc/51/39/27/584513927.db2.gz VLZCEUFDAMJPFU-PWSUYJOCSA-N -1 3 249.310 2.077 20 0 BEADHM COc1ccc(C[N-]c2nc(C3CC3)no2)o1 ZINC000902050129 584517157 /nfs/dbraw/zinc/51/71/57/584517157.db2.gz SIXPSELFPSZVJV-UHFFFAOYSA-N -1 3 235.243 2.161 20 0 BEADHM CC(C)c1noc([N-]Cc2nccn2C2CC2)n1 ZINC000902050541 584517458 /nfs/dbraw/zinc/51/74/58/584517458.db2.gz SYLDABZKCQWGJC-UHFFFAOYSA-N -1 3 247.302 2.337 20 0 BEADHM COc1ccccc1CNC1CC(C)(C(=O)[O-])C1 ZINC000902055527 584518345 /nfs/dbraw/zinc/51/83/45/584518345.db2.gz CFDWDEHLASOPMV-UHFFFAOYSA-N -1 3 249.310 2.038 20 0 BEADHM CC(C)CNCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902058201 584521209 /nfs/dbraw/zinc/52/12/09/584521209.db2.gz WDLGZNURKJPENJ-WAYWQWQTSA-N -1 3 223.272 2.123 20 0 BEADHM CCc1oc(CN2CC[C@H](C)C2)cc1C(=O)[O-] ZINC000902240688 584540816 /nfs/dbraw/zinc/54/08/16/584540816.db2.gz PDIZJYOEVHYSJE-VIFPVBQESA-N -1 3 237.299 2.382 20 0 BEADHM CC(=O)[N-]OC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000902230800 584542121 /nfs/dbraw/zinc/54/21/21/584542121.db2.gz MHPRWVXGYYKZPL-GHMZBOCLSA-N -1 3 241.237 2.103 20 0 BEADHM CC1CC(NCc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000902273475 584550067 /nfs/dbraw/zinc/55/00/67/584550067.db2.gz IRYYOGQRTFOQQF-SNAWJCMRSA-N -1 3 235.283 2.266 20 0 BEADHM O=C([O-])/C=C/c1ccc(CN[C@@H]2CC23CC3)o1 ZINC000902273926 584550419 /nfs/dbraw/zinc/55/04/19/584550419.db2.gz QBPRMQWMLZZOKS-PGLGOXFNSA-N -1 3 233.267 2.020 20 0 BEADHM CC(C)(F)CNCc1cc(C(=O)[O-])cs1 ZINC000902277467 584551016 /nfs/dbraw/zinc/55/10/16/584551016.db2.gz VSEXYYDHMXQWAB-UHFFFAOYSA-N -1 3 231.292 2.284 20 0 BEADHM COC[C@@H](CO[N-]C(=O)CC(C)(C)C)C(C)C ZINC000902420796 584592456 /nfs/dbraw/zinc/59/24/56/584592456.db2.gz SHYWHNQAPNZSLT-NSHDSACASA-N -1 3 245.363 2.389 20 0 BEADHM O=C([O-])/C=C/c1ccc(CNC2C[C@H]3C[C@H]3C2)o1 ZINC000902420753 584592482 /nfs/dbraw/zinc/59/24/82/584592482.db2.gz DYFGJDCHSONQEE-SSJKROIJSA-N -1 3 247.294 2.266 20 0 BEADHM O=C([O-])c1occc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000902466342 584614316 /nfs/dbraw/zinc/61/43/16/584614316.db2.gz KJYRPRQXSGOHDV-WDEREUQCSA-N -1 3 235.283 2.256 20 0 BEADHM CCO[C@@]1(C)C[C@H]1NCc1ccc(C(=O)[O-])cc1 ZINC000902494857 584618753 /nfs/dbraw/zinc/61/87/53/584618753.db2.gz ORIKSBFVBZFVQP-OCCSQVGLSA-N -1 3 249.310 2.042 20 0 BEADHM CC1(C)CCN1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902525167 584632411 /nfs/dbraw/zinc/63/24/11/584632411.db2.gz RNLWNZRGPDHXMZ-WAYWQWQTSA-N -1 3 235.283 2.362 20 0 BEADHM CC(=O)[N-]OCc1nc(C)c(C(C)(C)C)s1 ZINC000902703526 584659001 /nfs/dbraw/zinc/65/90/01/584659001.db2.gz PAIBAVAUYFHINA-UHFFFAOYSA-N -1 3 242.344 2.317 20 0 BEADHM CCc1ncc(CO[N-]C(=O)CC(C)(C)C)o1 ZINC000902749315 584664798 /nfs/dbraw/zinc/66/47/98/584664798.db2.gz PKNZHOOKZOKPAQ-UHFFFAOYSA-N -1 3 240.303 2.221 20 0 BEADHM CCCS(=O)(=O)[N-]c1ccc(C2CC2)cn1 ZINC000903661781 584788616 /nfs/dbraw/zinc/78/86/16/584788616.db2.gz UXFRMGGMFGFKSW-UHFFFAOYSA-N -1 3 240.328 2.111 20 0 BEADHM CCc1ccc(CNC[C@@H](CC)C(=O)[O-])o1 ZINC000903704986 584790879 /nfs/dbraw/zinc/79/08/79/584790879.db2.gz GRVFTJPXNRXSDW-SECBINFHSA-N -1 3 225.288 2.042 20 0 BEADHM CC[C@@H](CNCc1cccc(C)c1F)C(=O)[O-] ZINC000903709016 584791637 /nfs/dbraw/zinc/79/16/37/584791637.db2.gz KLOUQLJXBUUZNQ-JTQLQIEISA-N -1 3 239.290 2.335 20 0 BEADHM CO[C@@H]1CCN(Cc2cc([O-])ccc2Cl)C1 ZINC000859155774 589010849 /nfs/dbraw/zinc/01/08/49/589010849.db2.gz GHVVLSSCDZCLCV-LLVKDONJSA-N -1 3 241.718 2.266 20 0 BEADHM O=C([O-])[C@]12C[C@H]1CCCN2Cc1ccccc1F ZINC000903938173 584826372 /nfs/dbraw/zinc/82/63/72/584826372.db2.gz CMGJCSHOSXILBC-RISCZKNCSA-N 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20 0 BEADHM c1cc(O[C@@H]2C=CCCC2)cc(-c2nn[n-]n2)c1 ZINC000735401084 584976491 /nfs/dbraw/zinc/97/64/91/584976491.db2.gz XRGFQZAXIMIUAW-LLVKDONJSA-N -1 3 242.282 2.354 20 0 BEADHM c1ccc(-c2nnn[n-]2)c(O[C@H]2C=CCCC2)c1 ZINC000735401009 584976558 /nfs/dbraw/zinc/97/65/58/584976558.db2.gz VJGAJUKLCLCPMN-JTQLQIEISA-N -1 3 242.282 2.354 20 0 BEADHM c1ccc(-c2nn[n-]n2)c(O[C@H]2C=CCCC2)c1 ZINC000735401009 584976559 /nfs/dbraw/zinc/97/65/59/584976559.db2.gz VJGAJUKLCLCPMN-JTQLQIEISA-N -1 3 242.282 2.354 20 0 BEADHM C1=C[C@@H](Oc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000735401005 584976608 /nfs/dbraw/zinc/97/66/08/584976608.db2.gz VISIWKAICOXYJS-LLVKDONJSA-N -1 3 242.282 2.354 20 0 BEADHM C1=C[C@@H](Oc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000735401005 584976609 /nfs/dbraw/zinc/97/66/09/584976609.db2.gz VISIWKAICOXYJS-LLVKDONJSA-N -1 3 242.282 2.354 20 0 BEADHM CC(C)N(C(=O)c1ccc(N)cc1[O-])C1CCC1 ZINC000817947647 584991943 /nfs/dbraw/zinc/99/19/43/584991943.db2.gz DTRXSDGAERJTRE-UHFFFAOYSA-N -1 3 248.326 2.378 20 0 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243.347 2.431 20 0 BEADHM COc1ccc(CC(=O)[N-]OCC2CCC2)cc1 ZINC000753822129 585270259 /nfs/dbraw/zinc/27/02/59/585270259.db2.gz LOFJJBXOINNRSZ-UHFFFAOYSA-N -1 3 249.310 2.086 20 0 BEADHM CC[C@H](C)C(=O)COC(=O)c1ccc([O-])cc1 ZINC000756335503 585317816 /nfs/dbraw/zinc/31/78/16/585317816.db2.gz CULVRALOFKMLBY-VIFPVBQESA-N -1 3 236.267 2.164 20 0 BEADHM CC[C@H](C)COC(=O)c1ccc([O-])cc1O ZINC000756338913 585318103 /nfs/dbraw/zinc/31/81/03/585318103.db2.gz HHRPNMYPMJCKNW-QMMMGPOBSA-N -1 3 224.256 2.301 20 0 BEADHM COc1cc(C(=O)OC/C=C/Cl)ccc1[O-] ZINC000757097258 585328267 /nfs/dbraw/zinc/32/82/67/585328267.db2.gz JEDUCOYTECTPKE-GORDUTHDSA-N -1 3 242.658 2.310 20 0 BEADHM C/C=C\COC(=O)c1ccc([O-])c(OC)c1 ZINC000757100207 585328390 /nfs/dbraw/zinc/32/83/90/585328390.db2.gz GTJHRGCMDXIDBJ-ARJAWSKDSA-N -1 3 222.240 2.134 20 0 BEADHM O=C([N-]OCC(F)F)[C@H]1C[C@@H]1c1ccccc1 ZINC000839727251 585338690 /nfs/dbraw/zinc/33/86/90/585338690.db2.gz ZTJIUJYRNOELGD-ZJUUUORDSA-N -1 3 241.237 2.103 20 0 BEADHM C[C@H]1CCCC[C@H]1CC(=O)[N-]OCC(C)(C)O ZINC000839740939 585339445 /nfs/dbraw/zinc/33/94/45/585339445.db2.gz LKAHDRYSSUKZQK-QWRGUYRKSA-N -1 3 243.347 2.022 20 0 BEADHM C[C@@H]1CCCC[C@H]1CC(=O)[N-]OCC(C)(C)O ZINC000839740937 585339521 /nfs/dbraw/zinc/33/95/21/585339521.db2.gz LKAHDRYSSUKZQK-MNOVXSKESA-N -1 3 243.347 2.022 20 0 BEADHM CC(C)O[N-]C(=O)C(C)(C)CC(F)F ZINC000839783753 585341890 /nfs/dbraw/zinc/34/18/90/585341890.db2.gz LHXKDMUARIXEOL-UHFFFAOYSA-N -1 3 209.236 2.124 20 0 BEADHM C[C@H](OC(=O)c1cncc([O-])c1)c1ccncc1 ZINC000757712695 585344522 /nfs/dbraw/zinc/34/45/22/585344522.db2.gz XCBHEGPEBYMOTQ-VIFPVBQESA-N -1 3 244.250 2.100 20 0 BEADHM Cc1cc([O-])ccc1C(=O)OCc1ccno1 ZINC000758518484 585356718 /nfs/dbraw/zinc/35/67/18/585356718.db2.gz SXHWSRGYBFCXLQ-UHFFFAOYSA-N -1 3 233.223 2.046 20 0 BEADHM CCC(=O)[C@@H](C)OC(=O)c1ccc([O-])cc1C ZINC000758515930 585356753 /nfs/dbraw/zinc/35/67/53/585356753.db2.gz LSZZDWPVBNYPFB-SECBINFHSA-N -1 3 236.267 2.225 20 0 BEADHM 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233.267 2.351 20 0 BEADHM C[C@H]1CC[C@H](OC(=O)c2ccc([O-])cc2O)C1 ZINC000767517442 585521793 /nfs/dbraw/zinc/52/17/93/585521793.db2.gz CUOOGLLIULUYRD-WPRPVWTQSA-N -1 3 236.267 2.443 20 0 BEADHM CCc1cccc(C(=O)N(C)CCC(C)=O)c1[O-] ZINC000768338392 585536176 /nfs/dbraw/zinc/53/61/76/585536176.db2.gz AQZFCPDUPNSVHD-UHFFFAOYSA-N -1 3 249.310 2.006 20 0 BEADHM CS/C=C/C(=O)NCc1ccc([O-])c(F)c1 ZINC000769554724 585559324 /nfs/dbraw/zinc/55/93/24/585559324.db2.gz DRACDKSNXDBJSP-SNAWJCMRSA-N -1 3 241.287 2.024 20 0 BEADHM O=C(OCC1CC1)c1c([O-])cccc1F ZINC000772583573 585618632 /nfs/dbraw/zinc/61/86/32/585618632.db2.gz WVHWHOGPUFUTJB-UHFFFAOYSA-N -1 3 210.204 2.098 20 0 BEADHM CSCCOC(=O)c1c([O-])cccc1F ZINC000772591842 585618736 /nfs/dbraw/zinc/61/87/36/585618736.db2.gz KLUNUFIOZAOFIY-UHFFFAOYSA-N -1 3 230.260 2.051 20 0 BEADHM CCOCCO[N-]C(=O)C[C@H]1CCCC[C@@H]1C ZINC000772702039 585621320 /nfs/dbraw/zinc/62/13/20/585621320.db2.gz ZSPPFVHVCWMLDH-NWDGAFQWSA-N -1 3 243.347 2.287 20 0 BEADHM 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585678217 /nfs/dbraw/zinc/67/82/17/585678217.db2.gz JXGGLJSFDNYBFS-UHFFFAOYSA-N -1 3 237.221 2.487 20 0 BEADHM CCC(C)(C)CCOC(=O)c1n[n-]nc1C ZINC000805547352 585681187 /nfs/dbraw/zinc/68/11/87/585681187.db2.gz QNGMMJKEQBPJTN-UHFFFAOYSA-N -1 3 225.292 2.096 20 0 BEADHM CC[C@H]1[C@@H](C)CCN1Cc1nc(C)cc(=O)[n-]1 ZINC000775782190 585684587 /nfs/dbraw/zinc/68/45/87/585684587.db2.gz CZNNOIROYYOAGV-ONGXEEELSA-N -1 3 235.331 2.111 20 0 BEADHM COCCCOC(=O)c1cccc(Cl)c1[O-] ZINC000775935458 585688017 /nfs/dbraw/zinc/68/80/17/585688017.db2.gz YINVOIJNLLFKLI-UHFFFAOYSA-N -1 3 244.674 2.239 20 0 BEADHM CCON=C([O-])N1CC(C)(C)c2ccccc21 ZINC000776210139 585693287 /nfs/dbraw/zinc/69/32/87/585693287.db2.gz JPNQZKJKHWRDNA-UHFFFAOYSA-N -1 3 234.299 2.445 20 0 BEADHM CCO[N-]C(=O)N1CC(C)(C)c2ccccc21 ZINC000776210139 585693288 /nfs/dbraw/zinc/69/32/88/585693288.db2.gz JPNQZKJKHWRDNA-UHFFFAOYSA-N -1 3 234.299 2.445 20 0 BEADHM CCO[N-]C(=O)Cc1ccccc1SC ZINC000777289045 585710046 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/nfs/dbraw/zinc/13/90/76/586139076.db2.gz AVJYETIVTDPTCP-UHFFFAOYSA-N -1 3 231.255 2.039 20 0 BEADHM CCCOC(=O)c1[n-]nnc1-c1ccccc1 ZINC000798191085 586139077 /nfs/dbraw/zinc/13/90/77/586139077.db2.gz AVJYETIVTDPTCP-UHFFFAOYSA-N -1 3 231.255 2.039 20 0 BEADHM CCCOC(=O)c1n[n-]nc1-c1ccccc1 ZINC000798191085 586139078 /nfs/dbraw/zinc/13/90/78/586139078.db2.gz AVJYETIVTDPTCP-UHFFFAOYSA-N -1 3 231.255 2.039 20 0 BEADHM CCCCC(=O)[N-]OCc1ccccc1OC ZINC000799092116 586156363 /nfs/dbraw/zinc/15/63/63/586156363.db2.gz BAOYYBPMEMYONL-UHFFFAOYSA-N -1 3 237.299 2.433 20 0 BEADHM CSCC(C)(C)C(=O)[N-]OC1CCCC1 ZINC000800530227 586224145 /nfs/dbraw/zinc/22/41/45/586224145.db2.gz HSHSDVLPGXKJCD-UHFFFAOYSA-N -1 3 231.361 2.366 20 0 BEADHM Cc1noc(C)c1[N-]C(=O)c1cccnc1F ZINC000806756025 586417543 /nfs/dbraw/zinc/41/75/43/586417543.db2.gz CBPCWRXEESRBKA-UHFFFAOYSA-N -1 3 235.218 2.078 20 0 BEADHM C[C@H]1C[C@H]1COC(=O)c1c([O-])cccc1F ZINC000859642302 589051619 /nfs/dbraw/zinc/05/16/19/589051619.db2.gz QHHSSVWTUNJZCL-YUMQZZPRSA-N -1 3 224.231 2.344 20 0 BEADHM CC(C)=CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000808189290 586467137 /nfs/dbraw/zinc/46/71/37/586467137.db2.gz OXPLAPJVGBIRNV-UHFFFAOYSA-N -1 3 233.267 2.500 20 0 BEADHM O=C([N-]CCC1(F)CCC1)C(F)(F)C(F)F ZINC000809243675 586502624 /nfs/dbraw/zinc/50/26/24/586502624.db2.gz JOXMWFRQNSVNED-UHFFFAOYSA-N -1 3 245.191 2.285 20 0 BEADHM CCC[C@@H](C)CCCOC(=O)c1cnn[n-]1 ZINC000859692933 589055327 /nfs/dbraw/zinc/05/53/27/589055327.db2.gz OLQBBGWGYBQJJR-SECBINFHSA-N -1 3 225.292 2.178 20 0 BEADHM CCC[C@@H](C)CCCOC(=O)c1c[n-]nn1 ZINC000859692933 589055329 /nfs/dbraw/zinc/05/53/29/589055329.db2.gz OLQBBGWGYBQJJR-SECBINFHSA-N -1 3 225.292 2.178 20 0 BEADHM Cc1ccc(NC([O-])=NOC/C=C/Cl)nc1 ZINC000810203497 586536794 /nfs/dbraw/zinc/53/67/94/586536794.db2.gz AKSRDXBOGBFHIW-GORDUTHDSA-N -1 3 241.678 2.196 20 0 BEADHM Cc1ccc(NC(=O)[N-]OC/C=C/Cl)nc1 ZINC000810203497 586536796 /nfs/dbraw/zinc/53/67/96/586536796.db2.gz AKSRDXBOGBFHIW-GORDUTHDSA-N -1 3 241.678 2.196 20 0 BEADHM CCc1cc(C(=O)OC[C@@H](C)OC)ccc1[O-] ZINC000811305600 586558032 /nfs/dbraw/zinc/55/80/32/586558032.db2.gz VOTHGSLJPYMOOO-SECBINFHSA-N -1 3 238.283 2.146 20 0 BEADHM CC(=O)CCC(C)(C)C(=O)[N-]OC/C=C/Cl ZINC000812405164 586576294 /nfs/dbraw/zinc/57/62/94/586576294.db2.gz RVWPLUYAITVXAQ-QPJJXVBHSA-N -1 3 247.722 2.182 20 0 BEADHM C[C@@H](CC(=O)[N-]OC/C=C\Cl)C1CC1 ZINC000812408044 586576476 /nfs/dbraw/zinc/57/64/76/586576476.db2.gz MMGRGLRQLVOFLZ-YAPUSRSVSA-N -1 3 217.696 2.223 20 0 BEADHM O=C(Cc1cccc(F)c1F)[N-]OC1CCC1 ZINC000812789345 586584469 /nfs/dbraw/zinc/58/44/69/586584469.db2.gz VYZXOQGJTPMXBX-UHFFFAOYSA-N -1 3 241.237 2.108 20 0 BEADHM O=C([N-]OC1CCC1)C12CC(C(F)(F)F)(C1)C2 ZINC000812788653 586584578 /nfs/dbraw/zinc/58/45/78/586584578.db2.gz TWRWELAAGQMQBP-UHFFFAOYSA-N -1 3 249.232 2.319 20 0 BEADHM O=C([N-]OC1CCC1)[C@@H]1CCCC(F)(F)C1 ZINC000812790361 586584899 /nfs/dbraw/zinc/58/48/99/586584899.db2.gz OQYLCACIVIQBNO-MRVPVSSYSA-N -1 3 233.258 2.412 20 0 BEADHM CSCCCCC(=O)[N-]OC1CCC1 ZINC000812790872 586585277 /nfs/dbraw/zinc/58/52/77/586585277.db2.gz LAWRTOQKRJPMBK-UHFFFAOYSA-N -1 3 217.334 2.120 20 0 BEADHM O=C([N-]OC1CCC1)c1ccc(F)c(F)c1F ZINC000812791921 586585312 /nfs/dbraw/zinc/58/53/12/586585312.db2.gz DFLLLQNWNVGJCW-UHFFFAOYSA-N -1 3 245.200 2.318 20 0 BEADHM CC(C)OCCO[N-]C(=O)[C@@H]1CC12CCCC2 ZINC000812806854 586587064 /nfs/dbraw/zinc/58/70/64/586587064.db2.gz RWVTZHWZECZCEH-NSHDSACASA-N -1 3 241.331 2.040 20 0 BEADHM [O-]c1ccc(CNc2ccc(CO)cn2)cc1F ZINC000813338433 586600655 /nfs/dbraw/zinc/60/06/55/586600655.db2.gz HMXFCYJAGFOVSF-UHFFFAOYSA-N -1 3 248.257 2.031 20 0 BEADHM Fc1cccc(C[N-]c2nnc(C(F)F)o2)n1 ZINC000814365009 586621509 /nfs/dbraw/zinc/62/15/09/586621509.db2.gz VWSFSAOIXMNCCL-UHFFFAOYSA-N -1 3 244.176 2.153 20 0 BEADHM Cc1c(N)cccc1NC([O-])=NOC(C)C ZINC000859725012 589057247 /nfs/dbraw/zinc/05/72/47/589057247.db2.gz PXULBRXXSGQGJW-UHFFFAOYSA-N -1 3 223.276 2.039 20 0 BEADHM Cc1c(N)cccc1NC(=O)[N-]OC(C)C ZINC000859725012 589057249 /nfs/dbraw/zinc/05/72/49/589057249.db2.gz PXULBRXXSGQGJW-UHFFFAOYSA-N -1 3 223.276 2.039 20 0 BEADHM CC(C)OCCO[N-]C(=O)CC(C)(C)C1CC1 ZINC000816781946 586764242 /nfs/dbraw/zinc/76/42/42/586764242.db2.gz DBKLRPACPJYWPJ-UHFFFAOYSA-N -1 3 243.347 2.286 20 0 BEADHM Cc1ccc(O)cc1C(=O)Nc1ncccc1[O-] ZINC000816823084 586766015 /nfs/dbraw/zinc/76/60/15/586766015.db2.gz HTAKQCKARFKKJJ-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM CCONC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000816831366 586766843 /nfs/dbraw/zinc/76/68/43/586766843.db2.gz PQVARNUARGJLKW-UHFFFAOYSA-N -1 3 249.188 2.092 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)C[C@H](O)CC(C)(C)C ZINC000816978805 586774628 /nfs/dbraw/zinc/77/46/28/586774628.db2.gz BOKYMEWIMANRRI-MNOVXSKESA-N -1 3 245.363 2.268 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)C[C@H]1CCC(=O)[C@H]1C ZINC000816976598 586776436 /nfs/dbraw/zinc/77/64/36/586776436.db2.gz GVJHXEZMRCZMKI-GARJFASQSA-N -1 3 241.331 2.086 20 0 BEADHM Cc1cccc(CCC(=O)[N-]OCC2CC2)c1 ZINC000817350048 586798577 /nfs/dbraw/zinc/79/85/77/586798577.db2.gz SCNYCTUDRZBAND-UHFFFAOYSA-N -1 3 233.311 2.385 20 0 BEADHM Cc1cc(NC([O-])=NOC(C)C)nn1C(C)C ZINC000817360501 586798739 /nfs/dbraw/zinc/79/87/39/586798739.db2.gz QAYPIJPWUFEUBE-UHFFFAOYSA-N -1 3 240.307 2.234 20 0 BEADHM Cc1cc(NC(=O)[N-]OC(C)C)nn1C(C)C ZINC000817360501 586798741 /nfs/dbraw/zinc/79/87/41/586798741.db2.gz QAYPIJPWUFEUBE-UHFFFAOYSA-N -1 3 240.307 2.234 20 0 BEADHM CSCC(C)(C)C(=O)[N-]OCCC1CC1 ZINC000817426326 586804894 /nfs/dbraw/zinc/80/48/94/586804894.db2.gz YKCUIPFXGQARER-UHFFFAOYSA-N -1 3 231.361 2.224 20 0 BEADHM CCc1cc(NCc2nc(C)ccc2[O-])nn1C ZINC000817708747 586818891 /nfs/dbraw/zinc/81/88/91/586818891.db2.gz FYESPGJQESCUHM-UHFFFAOYSA-N -1 3 246.314 2.004 20 0 BEADHM CC(C)C[C@@H](NCCC(=O)[O-])c1ccccn1 ZINC000817869056 586831448 /nfs/dbraw/zinc/83/14/48/586831448.db2.gz VCNQZLLFWUXQHQ-GFCCVEGCSA-N -1 3 236.315 2.233 20 0 BEADHM C[C@H]1CCC[C@H](NC(=O)c2ccc(N)cc2[O-])C1 ZINC000817912821 586838673 /nfs/dbraw/zinc/83/86/73/586838673.db2.gz JJVKBJVAYBRTIR-ONGXEEELSA-N -1 3 248.326 2.283 20 0 BEADHM CC(C)CCCNC(=O)c1ccc(N)cc1[O-] ZINC000817914556 586839138 /nfs/dbraw/zinc/83/91/38/586839138.db2.gz ZTGHNCGCKJGDSF-UHFFFAOYSA-N -1 3 236.315 2.140 20 0 BEADHM Nc1ccc(C(=O)NCCC2CCCC2)c([O-])c1 ZINC000817917661 586840049 /nfs/dbraw/zinc/84/00/49/586840049.db2.gz RHTXVATWWRCFQA-UHFFFAOYSA-N -1 3 248.326 2.285 20 0 BEADHM C[C@H]1CC[C@H](NC(=O)c2ccc(N)cc2[O-])CC1 ZINC000817937004 586844767 /nfs/dbraw/zinc/84/47/67/586844767.db2.gz XFIRPKOVORVMSI-HOMQSWHASA-N -1 3 248.326 2.283 20 0 BEADHM C[C@H]1CN(C(=O)c2ccc(N)cc2[O-])C(C)(C)C1 ZINC000817944656 586846150 /nfs/dbraw/zinc/84/61/50/586846150.db2.gz IYUSPUQSTPQPIP-SECBINFHSA-N -1 3 248.326 2.235 20 0 BEADHM C[C@H]1CC[C@H](C)N(C(=O)c2ccc(N)cc2[O-])C1 ZINC000817945076 586846259 /nfs/dbraw/zinc/84/62/59/586846259.db2.gz SRUGVBSIIJWYDQ-UWVGGRQHSA-N -1 3 248.326 2.235 20 0 BEADHM CC(C)[C@H]1CCN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000817960211 586851257 /nfs/dbraw/zinc/85/12/57/586851257.db2.gz KFECSJZOBFAIRY-JTQLQIEISA-N -1 3 248.326 2.093 20 0 BEADHM C[C@@H](NCCCCCC(=O)[O-])c1cncs1 ZINC000818052523 586867319 /nfs/dbraw/zinc/86/73/19/586867319.db2.gz JXZMVMNKKFZHRG-SECBINFHSA-N -1 3 242.344 2.439 20 0 BEADHM CCOC([O-])=NOCC1CCC(C)CC1 ZINC000818107247 586875000 /nfs/dbraw/zinc/87/50/00/586875000.db2.gz MWBUSBLOVOMWIJ-UHFFFAOYSA-N -1 3 215.293 2.490 20 0 BEADHM CCOC(=O)[N-]OCC1CCC(C)CC1 ZINC000818107247 586875002 /nfs/dbraw/zinc/87/50/02/586875002.db2.gz MWBUSBLOVOMWIJ-UHFFFAOYSA-N -1 3 215.293 2.490 20 0 BEADHM O=C(/C=C/[C@H]1CCCO1)Nc1ccccc1[O-] ZINC000819144057 586933285 /nfs/dbraw/zinc/93/32/85/586933285.db2.gz UIRZGAMHNGKKKT-QROSGCPLSA-N -1 3 233.267 2.066 20 0 BEADHM CC(C)C[C@@H](C)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819778062 586993265 /nfs/dbraw/zinc/99/32/65/586993265.db2.gz XYWJIUALNNZCOO-BDAKNGLRSA-N -1 3 228.361 2.276 20 0 BEADHM CC(C)CCCC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819779624 586993631 /nfs/dbraw/zinc/99/36/31/586993631.db2.gz AACVRUVTFXFGMI-VIFPVBQESA-N -1 3 228.361 2.420 20 0 BEADHM CC[C@@H]1CCC[C@H]1C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819781172 586993792 /nfs/dbraw/zinc/99/37/92/586993792.db2.gz MELZNAXVJFAHEZ-IVZWLZJFSA-N -1 3 240.372 2.420 20 0 BEADHM CCC[C@@H]1C[C@H]1C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819782441 586994718 /nfs/dbraw/zinc/99/47/18/586994718.db2.gz VIDAMKHIVIZKCW-DJLDLDEBSA-N -1 3 226.345 2.030 20 0 BEADHM CC(C)OCCO[N-]C(=O)C[C@H]1CC=CCC1 ZINC000820014190 587012703 /nfs/dbraw/zinc/01/27/03/587012703.db2.gz PDIUSANWTACNSX-LBPRGKRZSA-N -1 3 241.331 2.206 20 0 BEADHM CC(C)OCCO[N-]C(=O)C[C@@H]1CC=CCC1 ZINC000820014189 587012743 /nfs/dbraw/zinc/01/27/43/587012743.db2.gz PDIUSANWTACNSX-GFCCVEGCSA-N -1 3 241.331 2.206 20 0 BEADHM C[C@H](CC(=O)[O-])N[C@H](C)c1cccc(F)c1F ZINC000820071955 587017749 /nfs/dbraw/zinc/01/77/49/587017749.db2.gz LLCDFKSRAAHJAP-HTQZYQBOSA-N -1 3 243.253 2.479 20 0 BEADHM CC(C)CN(C)c1ccc(F)cc1-c1nnn[n-]1 ZINC000820081425 587020076 /nfs/dbraw/zinc/02/00/76/587020076.db2.gz FSQYQNVKXOFORC-UHFFFAOYSA-N -1 3 249.293 2.098 20 0 BEADHM CC(C)CN(C)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820081425 587020078 /nfs/dbraw/zinc/02/00/78/587020078.db2.gz FSQYQNVKXOFORC-UHFFFAOYSA-N -1 3 249.293 2.098 20 0 BEADHM CC(C)c1csc(CN[C@@H](C)CC(=O)[O-])n1 ZINC000820088719 587020700 /nfs/dbraw/zinc/02/07/00/587020700.db2.gz CVIWFHHCTBRKJX-QMMMGPOBSA-N -1 3 242.344 2.219 20 0 BEADHM CC(C)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820136661 587025866 /nfs/dbraw/zinc/02/58/66/587025866.db2.gz AGJUIAUGXDVRPB-UHFFFAOYSA-N -1 3 237.694 2.340 20 0 BEADHM CC(C)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820136661 587025869 /nfs/dbraw/zinc/02/58/69/587025869.db2.gz AGJUIAUGXDVRPB-UHFFFAOYSA-N -1 3 237.694 2.340 20 0 BEADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1F)C1CC1 ZINC000820455678 587050066 /nfs/dbraw/zinc/05/00/66/587050066.db2.gz LFHRABQFGADKQE-SSDOTTSWSA-N -1 3 247.277 2.216 20 0 BEADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000820455678 587050067 /nfs/dbraw/zinc/05/00/67/587050067.db2.gz LFHRABQFGADKQE-SSDOTTSWSA-N -1 3 247.277 2.216 20 0 BEADHM CCCCC1(C(=O)[N-]OCC2CC2)CC1 ZINC000820479222 587050785 /nfs/dbraw/zinc/05/07/85/587050785.db2.gz UEXMZQBJXZMAQV-UHFFFAOYSA-N -1 3 211.305 2.415 20 0 BEADHM O=C(C[C@H]1CC=CCC1)[N-]OCC1CC1 ZINC000820478031 587050809 /nfs/dbraw/zinc/05/08/09/587050809.db2.gz COWVTCIZMJRYMW-JTQLQIEISA-N -1 3 209.289 2.191 20 0 BEADHM CCC(CC)CNc1ccc(-c2nnn[n-]2)nc1 ZINC000820893325 587080180 /nfs/dbraw/zinc/08/01/80/587080180.db2.gz NLFURGULNTZUQR-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CCC(CC)CNc1ccc(-c2nn[n-]n2)nc1 ZINC000820893325 587080182 /nfs/dbraw/zinc/08/01/82/587080182.db2.gz NLFURGULNTZUQR-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CC(F)(F)C(=O)[N-]Cc1nc2ccccc2o1 ZINC000820915948 587081304 /nfs/dbraw/zinc/08/13/04/587081304.db2.gz COBAIRYRGIZCPZ-UHFFFAOYSA-N -1 3 240.209 2.099 20 0 BEADHM CC(C)(C)c1nc(C(=O)[N-]c2ccon2)co1 ZINC000821497353 587122943 /nfs/dbraw/zinc/12/29/43/587122943.db2.gz LEPVHNZWANHWKX-UHFFFAOYSA-N -1 3 235.243 2.212 20 0 BEADHM O=C([O-])CCCNC1(c2ccccc2F)CC1 ZINC000821526144 587126245 /nfs/dbraw/zinc/12/62/45/587126245.db2.gz YAOMXXBPMCSCHW-UHFFFAOYSA-N -1 3 237.274 2.269 20 0 BEADHM CCCCC1(C(=O)[N-]O[C@H](CO)C(C)C)CC1 ZINC000821741805 587136564 /nfs/dbraw/zinc/13/65/64/587136564.db2.gz SXGFYSHXWBQZHR-LLVKDONJSA-N -1 3 243.347 2.022 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)cc1NC/C=C/Cl ZINC000822220400 587159082 /nfs/dbraw/zinc/15/90/82/587159082.db2.gz QAAQDVQYDBVSPG-GORDUTHDSA-N -1 3 249.705 2.340 20 0 BEADHM Cc1ccc(-c2nn[n-]n2)cc1NC/C=C/Cl ZINC000822220400 587159084 /nfs/dbraw/zinc/15/90/84/587159084.db2.gz QAAQDVQYDBVSPG-GORDUTHDSA-N -1 3 249.705 2.340 20 0 BEADHM c1cc(-c2nnn[n-]2)ccc1SCC1CC1 ZINC000823743147 587239186 /nfs/dbraw/zinc/23/91/86/587239186.db2.gz VBOFZJIGRCJVLM-UHFFFAOYSA-N -1 3 232.312 2.369 20 0 BEADHM c1cc(-c2nn[n-]n2)ccc1SCC1CC1 ZINC000823743147 587239187 /nfs/dbraw/zinc/23/91/87/587239187.db2.gz VBOFZJIGRCJVLM-UHFFFAOYSA-N -1 3 232.312 2.369 20 0 BEADHM c1cc(SCC2CC2)cc(-c2nnn[n-]2)c1 ZINC000823762194 587239726 /nfs/dbraw/zinc/23/97/26/587239726.db2.gz MAMZTQXYNGKKBW-UHFFFAOYSA-N -1 3 232.312 2.369 20 0 BEADHM c1cc(SCC2CC2)cc(-c2nn[n-]n2)c1 ZINC000823762194 587239728 /nfs/dbraw/zinc/23/97/28/587239728.db2.gz MAMZTQXYNGKKBW-UHFFFAOYSA-N -1 3 232.312 2.369 20 0 BEADHM CC(C)=C(C)CC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000823807053 587241057 /nfs/dbraw/zinc/24/10/57/587241057.db2.gz PLFVPAMQOIMDHS-SECBINFHSA-N -1 3 226.345 2.340 20 0 BEADHM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccco1 ZINC000825480423 587320737 /nfs/dbraw/zinc/32/07/37/587320737.db2.gz XUFZDSAQCMMDJN-UWVGGRQHSA-N -1 3 238.287 2.073 20 0 BEADHM CC(C)[C@@H](CN[C@@H](C)c1ccoc1)NC(=O)[O-] ZINC000825486321 587321170 /nfs/dbraw/zinc/32/11/70/587321170.db2.gz WPQISOXKJLMYJX-GXSJLCMTSA-N -1 3 240.303 2.222 20 0 BEADHM C[C@H](c1ccccc1)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825637729 587328661 /nfs/dbraw/zinc/32/86/61/587328661.db2.gz GJBMPBITBGTIFG-DGCLKSJQSA-N -1 3 248.326 2.432 20 0 BEADHM C[C@H](c1cccs1)N(C)CCNC(=O)[O-] ZINC000825646044 587329235 /nfs/dbraw/zinc/32/92/35/587329235.db2.gz XZANFAKUGVCACH-MRVPVSSYSA-N -1 3 228.317 2.009 20 0 BEADHM C/C(=C\CN1CC[C@@H](c2ccco2)C1)C(=O)[O-] ZINC000825736193 587335263 /nfs/dbraw/zinc/33/52/63/587335263.db2.gz WDGQJJDZAAGCTC-LLMHMKPQSA-N -1 3 235.283 2.100 20 0 BEADHM C/C(=C\CN1Cc2ccccc2C[C@H]1C)C(=O)[O-] ZINC000825745659 587336486 /nfs/dbraw/zinc/33/64/86/587336486.db2.gz BXZCCYGHQXZAGA-YTRUQHMWSA-N -1 3 245.322 2.464 20 0 BEADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)[O-] ZINC000825951557 587346822 /nfs/dbraw/zinc/34/68/22/587346822.db2.gz XYHREJZYXUJLIN-GFCCVEGCSA-N -1 3 248.326 2.261 20 0 BEADHM C[C@H](C(=O)[O-])[C@@H](NCCF)c1ccccc1 ZINC000826053987 587349741 /nfs/dbraw/zinc/34/97/41/587349741.db2.gz JYNNDDUDAXZXSH-GXSJLCMTSA-N -1 3 225.263 2.008 20 0 BEADHM Cc1ccnc(NCC(C)(C)C)c1-c1nnn[n-]1 ZINC000826313027 587352075 /nfs/dbraw/zinc/35/20/75/587352075.db2.gz UXWGCLVMKSWVDG-UHFFFAOYSA-N -1 3 246.318 2.028 20 0 BEADHM 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SIJNYJMUJZSOSG-UHFFFAOYSA-N -1 3 241.316 2.267 20 0 BEADHM CCCO[N-]C(=O)Nc1ncccc1SC ZINC000844826278 588217860 /nfs/dbraw/zinc/21/78/60/588217860.db2.gz SIJNYJMUJZSOSG-UHFFFAOYSA-N -1 3 241.316 2.267 20 0 BEADHM CC(C)OC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845194618 588223412 /nfs/dbraw/zinc/22/34/12/588223412.db2.gz QJKYYIINXWQJFD-UHFFFAOYSA-N -1 3 229.663 2.193 20 0 BEADHM CCCC(C)(C)C(=O)[N-]OCC(F)F ZINC000845943281 588251318 /nfs/dbraw/zinc/25/13/18/588251318.db2.gz BSUPXFITUJRHTI-UHFFFAOYSA-N -1 3 209.236 2.126 20 0 BEADHM C/C(=C/c1ccncc1)C(=O)[N-]OCCC1CC1 ZINC000848129228 588359375 /nfs/dbraw/zinc/35/93/75/588359375.db2.gz PLDZVWDCRCBESE-KHPPLWFESA-N -1 3 246.310 2.333 20 0 BEADHM O=C(C[C@H]1OCc2ccccc21)[N-]OCC1CC1 ZINC000848129626 588359629 /nfs/dbraw/zinc/35/96/29/588359629.db2.gz WWCUONPXLNBCLN-CYBMUJFWSA-N -1 3 247.294 2.106 20 0 BEADHM CO[C@H](C)CC(=O)Nc1c([O-])cccc1Cl ZINC000848140443 588361102 /nfs/dbraw/zinc/36/11/02/588361102.db2.gz RARWULWWHZKTLR-SSDOTTSWSA-N -1 3 243.690 2.409 20 0 BEADHM C/C(=C\c1ccccn1)C(=O)[N-]OC1CCC1 ZINC000848162555 588362404 /nfs/dbraw/zinc/36/24/04/588362404.db2.gz POYVBZBJYYHREC-MDZDMXLPSA-N -1 3 232.283 2.085 20 0 BEADHM C/C(=C\c1ccco1)C(=O)[N-]OC(C)C ZINC000848163294 588362989 /nfs/dbraw/zinc/36/29/89/588362989.db2.gz YUPOLYMMXMSMTJ-VQHVLOKHSA-N -1 3 209.245 2.139 20 0 BEADHM CC[C@H](C)N(CC)C(=O)c1ccc(N)cc1[O-] ZINC000852900347 588712288 /nfs/dbraw/zinc/71/22/88/588712288.db2.gz WAPYKJVXHYNWAV-VIFPVBQESA-N -1 3 236.315 2.235 20 0 BEADHM CN(C[C@H]1CC1(C)C)C(=O)c1ccc(N)cc1[O-] ZINC000852924644 588713573 /nfs/dbraw/zinc/71/35/73/588713573.db2.gz NLQPOZWSBZTWCI-SECBINFHSA-N -1 3 248.326 2.093 20 0 BEADHM CC(C)O[N-]C(=O)C[C@@H](C)c1ccco1 ZINC000861878830 589181362 /nfs/dbraw/zinc/18/13/62/589181362.db2.gz AMUYHBQMCMUVKZ-SECBINFHSA-N -1 3 211.261 2.229 20 0 BEADHM O=C([N-]OC1CCC1)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000861880734 589181578 /nfs/dbraw/zinc/18/15/78/589181578.db2.gz HOGLLEZSMBVUAT-BFHYXJOUSA-N -1 3 243.306 2.173 20 0 BEADHM CC(C)O[N-]C(=O)Cc1ccc2cnccc2c1 ZINC000861881333 589181769 /nfs/dbraw/zinc/18/17/69/589181769.db2.gz SGKZGDFGGXEBKB-UHFFFAOYSA-N -1 3 244.294 2.234 20 0 BEADHM CCC[C@@H](C(=O)[N-]C1=NCCS1)C(C)C ZINC000119255064 589254856 /nfs/dbraw/zinc/25/48/56/589254856.db2.gz SSCJHLHFVPMPGC-SECBINFHSA-N -1 3 228.361 2.278 20 0 BEADHM COCc1nc(SCSC(C)C)n[n-]1 ZINC000863314447 589278283 /nfs/dbraw/zinc/27/82/83/589278283.db2.gz KKTCFQRFVTZVQD-UHFFFAOYSA-N -1 3 233.362 2.142 20 0 BEADHM Cc1ccc(CC(=O)[N-]OC[C@@H]2C[C@@H]2C)cc1 ZINC000863456305 589289461 /nfs/dbraw/zinc/28/94/61/589289461.db2.gz OGHLGXYRPYMERI-AAEUAGOBSA-N -1 3 233.311 2.241 20 0 BEADHM C/C(=C\CN1C[C@@H](C)C(F)(F)[C@@H](C)C1)C(=O)[O-] ZINC000863471603 589291341 /nfs/dbraw/zinc/29/13/41/589291341.db2.gz WHIPVEMVHDUPAK-HDXDTZNISA-N -1 3 247.285 2.240 20 0 BEADHM O=C([O-])[C@@H]1CCN(C/C=C\Cl)[C@@H]2CCC[C@@H]21 ZINC000863476027 589291776 /nfs/dbraw/zinc/29/17/76/589291776.db2.gz SRTKDCHBOZMUDL-WOKGGCALSA-N -1 3 243.734 2.314 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000863919196 589325261 /nfs/dbraw/zinc/32/52/61/589325261.db2.gz UEUKJABSQLZYBM-HBNTYKKESA-N -1 3 237.299 2.477 20 0 BEADHM CCCNC(=O)c1c(Cl)n[n-]c1C1CC1 ZINC000864439973 589363582 /nfs/dbraw/zinc/36/35/82/589363582.db2.gz LMDJKELQFBCTFN-UHFFFAOYSA-N -1 3 227.695 2.080 20 0 BEADHM CO[N-]C(=O)Cc1csc2sc(C)cc12 ZINC000864747703 589392105 /nfs/dbraw/zinc/39/21/05/589392105.db2.gz GTRFOJGKAVPTDG-UHFFFAOYSA-N -1 3 241.337 2.491 20 0 BEADHM CO[N-]C(=O)CC(C)(C)c1ccc(F)cc1 ZINC000864748176 589392812 /nfs/dbraw/zinc/39/28/12/589392812.db2.gz GFHZJBACONQRDB-UHFFFAOYSA-N -1 3 225.263 2.171 20 0 BEADHM C[C@@H]1C[C@H]1NC(=O)c1c(Cl)n[n-]c1C1CC1 ZINC000865141429 589411258 /nfs/dbraw/zinc/41/12/58/589411258.db2.gz SXXLEUHDSGRIFU-IYSWYEEDSA-N -1 3 239.706 2.079 20 0 BEADHM O=C(OCCCCCCO)c1ccc([O-])cc1 ZINC000205839431 589471763 /nfs/dbraw/zinc/47/17/63/589471763.db2.gz KCOCIPSMXWEAME-UHFFFAOYSA-N -1 3 238.283 2.102 20 0 BEADHM CC[C@@H](CC(=O)[N-]OCC(C)(C)O)C(C)(C)C ZINC000867859349 589537329 /nfs/dbraw/zinc/53/73/29/589537329.db2.gz KSJFZDJNCXGAMT-JTQLQIEISA-N -1 3 245.363 2.268 20 0 BEADHM CC(C)O[N-]C(=O)c1c(Cl)n[nH]c1C1CC1 ZINC000868658211 589570585 /nfs/dbraw/zinc/57/05/85/589570585.db2.gz QVYCGNZKYUSBGP-UHFFFAOYSA-N -1 3 243.694 2.010 20 0 BEADHM COc1ccc([O-])c(C(=O)NCCC2CCC2)c1 ZINC000122575704 589605008 /nfs/dbraw/zinc/60/50/08/589605008.db2.gz XMLVCIDNQISJML-UHFFFAOYSA-N -1 3 249.310 2.321 20 0 BEADHM CC[C@@H](C)OC(=O)c1cn[n-]c1[C@H]1CCCO1 ZINC000869900583 589636827 /nfs/dbraw/zinc/63/68/27/589636827.db2.gz GNHFONZDWCCILK-PSASIEDQSA-N -1 3 238.287 2.217 20 0 BEADHM CC[C@@H](C)OC(=O)c1c[n-]nc1[C@H]1CCCO1 ZINC000869900583 589636828 /nfs/dbraw/zinc/63/68/28/589636828.db2.gz GNHFONZDWCCILK-PSASIEDQSA-N -1 3 238.287 2.217 20 0 BEADHM CCCCOC(=O)c1cn[n-]c1[C@@H]1CCCO1 ZINC000869901958 589636977 /nfs/dbraw/zinc/63/69/77/589636977.db2.gz ONYUSVKHAYYGQL-JTQLQIEISA-N -1 3 238.287 2.218 20 0 BEADHM CCCCOC(=O)c1c[n-]nc1[C@@H]1CCCO1 ZINC000869901958 589636979 /nfs/dbraw/zinc/63/69/79/589636979.db2.gz ONYUSVKHAYYGQL-JTQLQIEISA-N -1 3 238.287 2.218 20 0 BEADHM O=C(CCC(F)F)[N-]OCCCC(F)(F)F ZINC000871215519 589746942 /nfs/dbraw/zinc/74/69/42/589746942.db2.gz DYVOLRXKFILRNM-UHFFFAOYSA-N -1 3 249.179 2.422 20 0 BEADHM CCOC([O-])=NOC[C@H](C)C(C)(C)C ZINC000871757954 589798989 /nfs/dbraw/zinc/79/89/89/589798989.db2.gz WMIKFDRASAHCIU-QMMMGPOBSA-N -1 3 203.282 2.346 20 0 BEADHM CCOC(=O)[N-]OC[C@H](C)C(C)(C)C ZINC000871757954 589798993 /nfs/dbraw/zinc/79/89/93/589798993.db2.gz WMIKFDRASAHCIU-QMMMGPOBSA-N -1 3 203.282 2.346 20 0 BEADHM CCc1[n-]n(CC2CC2)c(=O)c1C(C)C ZINC000871942304 589833234 /nfs/dbraw/zinc/83/32/34/589833234.db2.gz GHIFDZVADHVEFN-LLVKDONJSA-N -1 3 208.305 2.277 20 0 BEADHM Cc1[n-]n([C@H]2CCCC2(C)C)c(=O)c1F ZINC000871959527 589845629 /nfs/dbraw/zinc/84/56/29/589845629.db2.gz NHRMITFOSQJBSX-IUCAKERBSA-N -1 3 212.268 2.121 20 0 BEADHM CO[C@H](C)CN[C@@H](C)c1cccc([O-])c1F ZINC000872063914 589862637 /nfs/dbraw/zinc/86/26/37/589862637.db2.gz AGDCVUZTEHUDRK-BDAKNGLRSA-N -1 3 227.279 2.217 20 0 BEADHM C[C@H](NCCOCCF)c1cccc([O-])c1F ZINC000872089256 589867707 /nfs/dbraw/zinc/86/77/07/589867707.db2.gz VVSDYGHEHPONPQ-VIFPVBQESA-N -1 3 245.269 2.168 20 0 BEADHM O=c1[n-]nc(Cl)cc1NC1CCSCC1 ZINC000872434469 589938947 /nfs/dbraw/zinc/93/89/47/589938947.db2.gz LPYFIAUNEPSVPN-UHFFFAOYSA-N -1 3 245.735 2.143 20 0 BEADHM CC1(C)C[C@@H]1CNc1cc(Cl)n[n-]c1=O ZINC000872451811 589940462 /nfs/dbraw/zinc/94/04/62/589940462.db2.gz AERBUJHQTDMYSF-ZCFIWIBFSA-N -1 3 227.695 2.294 20 0 BEADHM C[C@@H]1OCC[C@H]1Sc1cc(Cl)n[n-]c1=O ZINC000872492109 589944738 /nfs/dbraw/zinc/94/47/38/589944738.db2.gz CAODSQPFZNOWON-NTSWFWBYSA-N -1 3 246.719 2.105 20 0 BEADHM C[C@H]1CCN(c2cc(Cl)n[n-]c2=O)C[C@@H]1F ZINC000872503528 589945253 /nfs/dbraw/zinc/94/52/53/589945253.db2.gz MKBQAPKPDVIBLD-BQBZGAKWSA-N -1 3 245.685 2.020 20 0 BEADHM O=c1[n-]nc(Cl)cc1N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000872525891 589947176 /nfs/dbraw/zinc/94/71/76/589947176.db2.gz VPIVZJYNMYKXJO-KPCSLPGQSA-N -1 3 225.679 2.046 20 0 BEADHM CC1=C[C@@H](C)CN(c2cc(Cl)n[n-]c2=O)C1 ZINC000872530096 589947570 /nfs/dbraw/zinc/94/75/70/589947570.db2.gz WMIUIHZVHCNAGD-SSDOTTSWSA-N -1 3 239.706 2.238 20 0 BEADHM C[C@@]1(F)CCCN(c2cc(Cl)n[n-]c2=O)C1 ZINC000872554873 589950375 /nfs/dbraw/zinc/95/03/75/589950375.db2.gz BJQHSHSQYBXDIG-SNVBAGLBSA-N -1 3 245.685 2.164 20 0 BEADHM CCC[C@H](CNc1cc(Cl)n[n-]c1=O)OC ZINC000872559498 589950619 /nfs/dbraw/zinc/95/06/19/589950619.db2.gz XRELWQVJMVNJLU-SSDOTTSWSA-N -1 3 245.710 2.063 20 0 BEADHM CCC=CCNc1cc(Cl)n[n-]c1=O ZINC000872562640 589951414 /nfs/dbraw/zinc/95/14/14/589951414.db2.gz XGTUSRMPOILAHH-ONEGZZNKSA-N -1 3 213.668 2.214 20 0 BEADHM C[C@H]1SCC[C@@H]1Nc1cc(Cl)n[n-]c1=O ZINC000872583246 589954382 /nfs/dbraw/zinc/95/43/82/589954382.db2.gz ULFRUOHOFZIBIF-RITPCOANSA-N -1 3 245.735 2.142 20 0 BEADHM CCCON=C([O-])Nc1cc2ccccc2nn1 ZINC000888622009 590024667 /nfs/dbraw/zinc/02/46/67/590024667.db2.gz SOQGOLXRUMNZMW-UHFFFAOYSA-N -1 3 246.270 2.093 20 0 BEADHM CCCO[N-]C(=O)Nc1cc2ccccc2nn1 ZINC000888622009 590024670 /nfs/dbraw/zinc/02/46/70/590024670.db2.gz SOQGOLXRUMNZMW-UHFFFAOYSA-N -1 3 246.270 2.093 20 0 BEADHM O=C([N-]c1cnoc1)c1ncsc1C1CC1 ZINC000888625016 590057637 /nfs/dbraw/zinc/05/76/37/590057637.db2.gz XVSAZXUNELAUJE-UHFFFAOYSA-N -1 3 235.268 2.261 20 0 BEADHM O=C([N-]C1CC1)C(F)(F)c1cc(F)cc(F)c1 ZINC000873741087 590070024 /nfs/dbraw/zinc/07/00/24/590070024.db2.gz NGUKGVMBUNTPSQ-UHFFFAOYSA-N -1 3 247.191 2.335 20 0 BEADHM C[C@H]1C[C@H]1c1ccc(CN[C@H]2C[C@H](C(=O)[O-])C2)o1 ZINC000874053600 590087751 /nfs/dbraw/zinc/08/77/51/590087751.db2.gz KNQXBCOVRNTRPU-QFOLPQNPSA-N -1 3 249.310 2.356 20 0 BEADHM CC(C)c1noc(-c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000874434500 590110326 /nfs/dbraw/zinc/11/03/26/590110326.db2.gz RAIFRHCCBIRODC-UHFFFAOYSA-N -1 3 246.270 2.233 20 0 BEADHM O=C(/C=C/C1CC1)[N-]Oc1ccccc1F ZINC000874912000 590155194 /nfs/dbraw/zinc/15/51/94/590155194.db2.gz PVUXKHYMEYEQMX-BQYQJAHWSA-N -1 3 221.231 2.202 20 0 BEADHM Cc1ccc(C=C2SC(=O)[N-]C2=O)cc1F ZINC000874928279 590155774 /nfs/dbraw/zinc/15/57/74/590155774.db2.gz QMRAEVWTRJBRKT-UITAMQMPSA-N -1 3 237.255 2.458 20 0 BEADHM Nc1ccc(C(=O)N[C@@]23C[C@@H]2CCCC3)c([O-])c1 ZINC000877195922 590299616 /nfs/dbraw/zinc/29/96/16/590299616.db2.gz RXRHOGUZBKEESZ-XPTSAGLGSA-N -1 3 246.310 2.037 20 0 BEADHM CCN(CC)Cc1nnc(-c2ccccc2[O-])o1 ZINC000877929800 590450354 /nfs/dbraw/zinc/45/03/54/590450354.db2.gz NLQAGILDPFUENE-UHFFFAOYSA-N -1 3 247.298 2.284 20 0 BEADHM CO[N-]C(=O)CC[C@H]1CCc2ccccc21 ZINC000878113448 590496950 /nfs/dbraw/zinc/49/69/50/590496950.db2.gz CEYMMOLESCSDQQ-LLVKDONJSA-N -1 3 219.284 2.174 20 0 BEADHM C[C@H](CN(C)Cc1n[n-]c(=O)o1)CC(C)(C)C ZINC000878726116 590616798 /nfs/dbraw/zinc/61/67/98/590616798.db2.gz JLPAYJHIRQRJLB-VIFPVBQESA-N -1 3 241.335 2.279 20 0 BEADHM CC1(C)CO[C@@H](CCC(=O)[N-]OC2CCC2)C1 ZINC000880079732 590920367 /nfs/dbraw/zinc/92/03/67/590920367.db2.gz UNOATDWONOWUCZ-NSHDSACASA-N -1 3 241.331 2.182 20 0 BEADHM CCO[N-]C(=O)CCCSC(C)(C)C ZINC000128466063 591077019 /nfs/dbraw/zinc/07/70/19/591077019.db2.gz WTNCCNIETXUEJG-UHFFFAOYSA-N -1 3 219.350 2.366 20 0 BEADHM CCOCCON=C([O-])Nc1csc(C)c1 ZINC000880640656 591114150 /nfs/dbraw/zinc/11/41/50/591114150.db2.gz RYCPRZLPZBRDAL-UHFFFAOYSA-N -1 3 244.316 2.146 20 0 BEADHM CCOCCO[N-]C(=O)Nc1csc(C)c1 ZINC000880640656 591114154 /nfs/dbraw/zinc/11/41/54/591114154.db2.gz RYCPRZLPZBRDAL-UHFFFAOYSA-N -1 3 244.316 2.146 20 0 BEADHM CCCCCCSCCc1nnn[n-]1 ZINC000882187183 591313366 /nfs/dbraw/zinc/31/33/66/591313366.db2.gz CQNDZIBCPUUBJL-UHFFFAOYSA-N -1 3 214.338 2.056 20 0 BEADHM CCCCCCSCCc1nn[n-]n1 ZINC000882187183 591313368 /nfs/dbraw/zinc/31/33/68/591313368.db2.gz CQNDZIBCPUUBJL-UHFFFAOYSA-N -1 3 214.338 2.056 20 0 BEADHM Cc1cccc(Cl)c1Cn1c([O-])coc1=O ZINC000882276712 591324605 /nfs/dbraw/zinc/32/46/05/591324605.db2.gz VQLYUAWCSBWXOR-UHFFFAOYSA-N -1 3 239.658 2.127 20 0 BEADHM C=CCSCc1ccccc1-c1nnn[n-]1 ZINC000095129111 598960136 /nfs/dbraw/zinc/96/01/36/598960136.db2.gz GIIRADGSRGGQMT-UHFFFAOYSA-N -1 3 232.312 2.286 20 0 BEADHM C=CCSCc1ccccc1-c1nn[n-]n1 ZINC000095129111 598960137 /nfs/dbraw/zinc/96/01/37/598960137.db2.gz GIIRADGSRGGQMT-UHFFFAOYSA-N -1 3 232.312 2.286 20 0 BEADHM O=C([N-][C@H]1c2ccccc2CC[C@@H]1F)C(F)F ZINC000882699920 591413586 /nfs/dbraw/zinc/41/35/86/591413586.db2.gz UKLUOBQBHZAKOE-UWVGGRQHSA-N -1 3 243.228 2.393 20 0 BEADHM O=C([N-][C@@H]1c2ccccc2CC[C@@H]1F)C(F)F ZINC000882699921 591413976 /nfs/dbraw/zinc/41/39/76/591413976.db2.gz UKLUOBQBHZAKOE-VHSXEESVSA-N -1 3 243.228 2.393 20 0 BEADHM C[C@H]1C[C@@H](NCc2cc([O-])ccc2Cl)CO1 ZINC000883324992 591616163 /nfs/dbraw/zinc/61/61/63/591616163.db2.gz LKLDLVRDTRUCBU-WCBMZHEXSA-N -1 3 241.718 2.313 20 0 BEADHM C/C(=C\CN(C)Cc1cccs1)C(=O)[O-] ZINC000214595195 591635910 /nfs/dbraw/zinc/63/59/10/591635910.db2.gz BIOZAELNULOBMZ-WEVVVXLNSA-N -1 3 225.313 2.211 20 0 BEADHM C=CCCCNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000095128263 598978630 /nfs/dbraw/zinc/97/86/30/598978630.db2.gz ALDOSXCWNFWYOJ-UHFFFAOYSA-N -1 3 247.277 2.384 20 0 BEADHM C=CCCCNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000095128263 598978632 /nfs/dbraw/zinc/97/86/32/598978632.db2.gz ALDOSXCWNFWYOJ-UHFFFAOYSA-N -1 3 247.277 2.384 20 0 BEADHM O=C(Nc1ncccc1[O-])c1cc2occc2[nH]1 ZINC000132881079 591745100 /nfs/dbraw/zinc/74/51/00/591745100.db2.gz ZQVBYSDOOKSBNB-UHFFFAOYSA-N -1 3 243.222 2.114 20 0 BEADHM Cc1nnc(NC(=O)c2cc3occc3[n-]2)s1 ZINC000132998922 591755440 /nfs/dbraw/zinc/75/54/40/591755440.db2.gz VTCDRBDYIZXWDJ-UHFFFAOYSA-N -1 3 248.267 2.173 20 0 BEADHM CC(C)COCCOC(=O)c1ccc([O-])cc1 ZINC000800086977 591819652 /nfs/dbraw/zinc/81/96/52/591819652.db2.gz PYNMQYHRCBOFAW-UHFFFAOYSA-N -1 3 238.283 2.222 20 0 BEADHM O=C(CC[C@H]1CCCCO1)[N-]OC1CCCC1 ZINC000135144578 591992123 /nfs/dbraw/zinc/99/21/23/591992123.db2.gz MCCHGIAEGDAGRT-LLVKDONJSA-N -1 3 241.331 2.326 20 0 BEADHM CCC[C@@H](CC)C(=O)NCc1cncc([O-])c1 ZINC000886271340 592191801 /nfs/dbraw/zinc/19/18/01/592191801.db2.gz FTODAHWJYQHELZ-LLVKDONJSA-N -1 3 236.315 2.230 20 0 BEADHM O=C(C[C@H]1CC=CCC1)NCc1cncc([O-])c1 ZINC000886271207 592192238 /nfs/dbraw/zinc/19/22/38/592192238.db2.gz ANUPDRZJPLVGGT-NSHDSACASA-N -1 3 246.310 2.150 20 0 BEADHM O=C(/C=C\C1CCCC1)NCc1cncc([O-])c1 ZINC000886272836 592192654 /nfs/dbraw/zinc/19/26/54/592192654.db2.gz DQOCJVRMTJBSOP-WAYWQWQTSA-N -1 3 246.310 2.150 20 0 BEADHM C[C@H]1CCC[C@@]1(C)C(=O)NCc1cncc([O-])c1 ZINC000886274811 592194312 /nfs/dbraw/zinc/19/43/12/592194312.db2.gz CDGDUJHOEPSKJU-IINYFYTJSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@@H]1CCC[C@@]1(C)C(=O)NCc1cncc([O-])c1 ZINC000886274812 592194522 /nfs/dbraw/zinc/19/45/22/592194522.db2.gz CDGDUJHOEPSKJU-QMTHXVAHSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@@]1(C(=O)NCc2cncc([O-])c2)CC=CCC1 ZINC000886275119 592194590 /nfs/dbraw/zinc/19/45/90/592194590.db2.gz OMGUIGOHYKGPJF-CQSZACIVSA-N -1 3 246.310 2.150 20 0 BEADHM CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1cncc([O-])c1 ZINC000886276324 592196428 /nfs/dbraw/zinc/19/64/28/592196428.db2.gz DVLVKACWSLTODW-OCCSQVGLSA-N -1 3 248.326 2.086 20 0 BEADHM CC[C@H](C)[C@@H](C)C(=O)NCc1cncc([O-])c1 ZINC000886276602 592196562 /nfs/dbraw/zinc/19/65/62/592196562.db2.gz NNNQBLUWIPFHDE-VHSXEESVSA-N -1 3 236.315 2.086 20 0 BEADHM CCCC1(C(=O)NCc2cncc([O-])c2)CCC1 ZINC000886278319 592197155 /nfs/dbraw/zinc/19/71/55/592197155.db2.gz VPBXJAMVASAOGC-UHFFFAOYSA-N -1 3 248.326 2.374 20 0 BEADHM CC(C(=O)NCc1cncc([O-])c1)=C1CCCC1 ZINC000886278344 592197166 /nfs/dbraw/zinc/19/71/66/592197166.db2.gz WJGYHHRQSVXUDH-UHFFFAOYSA-N -1 3 246.310 2.294 20 0 BEADHM CC(C)(C)CCC(=O)NCc1cncc([O-])c1 ZINC000886279823 592198342 /nfs/dbraw/zinc/19/83/42/592198342.db2.gz LPJHLZZQSNFEJN-UHFFFAOYSA-N -1 3 236.315 2.230 20 0 BEADHM C[C@@H]1CCc2[n-]n([C@@H]3CCCSC3)c(=O)c21 ZINC000887298608 592478452 /nfs/dbraw/zinc/47/84/52/592478452.db2.gz CYJCPHXZOYBMAV-KKZNHRDASA-N -1 3 238.356 2.126 20 0 BEADHM CCc1cnc([N-]C(=O)c2cc(C3CC3)no2)o1 ZINC000889387538 592604823 /nfs/dbraw/zinc/60/48/23/592604823.db2.gz CCNWOPWZLUWGAP-UHFFFAOYSA-N -1 3 247.254 2.355 20 0 BEADHM O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1ccccc1[O-] ZINC000889587074 592622673 /nfs/dbraw/zinc/62/26/73/592622673.db2.gz KEOUCPPDHUVGFB-CKYFFXLPSA-N -1 3 231.295 2.311 20 0 BEADHM CC(C)CNc1ccc(-c2nn[n-]n2)cc1F ZINC000735839469 598233992 /nfs/dbraw/zinc/23/39/92/598233992.db2.gz VVNKJKZVKFOSCQ-UHFFFAOYSA-N -1 3 235.266 2.074 20 0 BEADHM CSCCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000095318797 599440721 /nfs/dbraw/zinc/44/07/21/599440721.db2.gz LKIDFTGJKKLUNK-UHFFFAOYSA-N -1 3 249.343 2.032 20 0 BEADHM C[C@H](NCCNC(=O)[O-])c1cc2ccccc2o1 ZINC000739036693 602046646 /nfs/dbraw/zinc/04/66/46/602046646.db2.gz TXJSXMCSRKSWPR-VIFPVBQESA-N -1 3 248.282 2.351 20 0 BEADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)[O-] ZINC000740155718 602663657 /nfs/dbraw/zinc/66/36/57/602663657.db2.gz ULTCGEQPBXRUJO-YPMHNXCESA-N -1 3 246.310 2.281 20 0 BEADHM CCOCCN(C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000158033024 605056949 /nfs/dbraw/zinc/05/69/49/605056949.db2.gz WFHKIWBALZFHNK-SECBINFHSA-N -1 3 241.287 2.007 20 0 BEADHM CCCCNc1cc(-c2nnn[n-]2)ccc1C ZINC000095289006 606638217 /nfs/dbraw/zinc/63/82/17/606638217.db2.gz QSQRPAVGKJFWGP-UHFFFAOYSA-N -1 3 231.303 2.387 20 0 BEADHM CCCCNc1cc(-c2nn[n-]n2)ccc1C ZINC000095289006 606638218 /nfs/dbraw/zinc/63/82/18/606638218.db2.gz QSQRPAVGKJFWGP-UHFFFAOYSA-N -1 3 231.303 2.387 20 0 BEADHM CC[C@@H](C)CNc1cccc(-c2nnn[n-]2)c1 ZINC000037102027 606983374 /nfs/dbraw/zinc/98/33/74/606983374.db2.gz FZOLGFDHJPYAMM-SECBINFHSA-N -1 3 231.303 2.325 20 0 BEADHM CC[C@@H](C)CNc1cccc(-c2nn[n-]n2)c1 ZINC000037102027 606983376 /nfs/dbraw/zinc/98/33/76/606983376.db2.gz FZOLGFDHJPYAMM-SECBINFHSA-N -1 3 231.303 2.325 20 0 BEADHM Cl/C=C/CNc1cccc(-c2nnn[n-]2)c1 ZINC000822562608 607124323 /nfs/dbraw/zinc/12/43/23/607124323.db2.gz CBHLFHZMDVYYID-GORDUTHDSA-N -1 3 235.678 2.031 20 0 BEADHM Cl/C=C/CNc1cccc(-c2nn[n-]n2)c1 ZINC000822562608 607124325 /nfs/dbraw/zinc/12/43/25/607124325.db2.gz CBHLFHZMDVYYID-GORDUTHDSA-N -1 3 235.678 2.031 20 0 BEADHM O=S(=O)([N-]CCCC1CCCC1)C(F)F ZINC001259963556 992067012 /nfs/dbraw/zinc/06/70/12/992067012.db2.gz ZGUZHPIXTBYSLX-UHFFFAOYSA-N -1 3 241.303 2.099 20 0 BEADHM CSC1(CNc2cc(=O)[n-]c(C)n2)CCC1 ZINC000235156743 635570319 /nfs/dbraw/zinc/57/03/19/635570319.db2.gz LEASRKRROCKBBD-UHFFFAOYSA-N -1 3 239.344 2.188 20 0 BEADHM Cc1nc(N[C@H](C)CC(F)(F)F)cc(=O)[n-]1 ZINC000235473335 632760373 /nfs/dbraw/zinc/76/03/73/632760373.db2.gz ZCNUPVQWLCKJIP-RXMQYKEDSA-N -1 3 235.209 2.243 20 0 BEADHM O=C(CCc1ccoc1)[N-]OCc1ccccc1 ZINC000177567851 632839639 /nfs/dbraw/zinc/83/96/39/632839639.db2.gz UVTTVYVQWVOKHQ-UHFFFAOYSA-N -1 3 245.278 2.460 20 0 BEADHM Cc1nc(N[C@H](C)c2ccccn2)cc(=O)[n-]1 ZINC000163617131 633060969 /nfs/dbraw/zinc/06/09/69/633060969.db2.gz WIPAHFYBYNHVNS-MRVPVSSYSA-N -1 3 230.271 2.059 20 0 BEADHM Cc1nc(N[C@@H](C)Cc2ccco2)cc(=O)[n-]1 ZINC000163694034 633062151 /nfs/dbraw/zinc/06/21/51/633062151.db2.gz YBEYUTXUOJVFIY-QMMMGPOBSA-N -1 3 233.271 2.127 20 0 BEADHM Cc1nc(NC[C@@]2(C)CCCS2)cc(=O)[n-]1 ZINC000165875924 633101644 /nfs/dbraw/zinc/10/16/44/633101644.db2.gz KVFOBZMMOBUFRY-LLVKDONJSA-N -1 3 239.344 2.188 20 0 BEADHM CCOCCO[N-]C(=O)C[C@@H](CC)C(C)C ZINC000184761816 634019309 /nfs/dbraw/zinc/01/93/09/634019309.db2.gz ZDQLTQHPDPCNHM-LLVKDONJSA-N -1 3 231.336 2.143 20 0 BEADHM CCOCCO[N-]C(=O)C[C@H](C)CC(C)C ZINC000184787029 634019324 /nfs/dbraw/zinc/01/93/24/634019324.db2.gz VRGZSOIHEJVCHZ-LLVKDONJSA-N -1 3 231.336 2.143 20 0 BEADHM CCOCCO[N-]C(=O)C1(CC)CCCCC1 ZINC000184830358 634020895 /nfs/dbraw/zinc/02/08/95/634020895.db2.gz BARMWJZGEAVPLB-UHFFFAOYSA-N -1 3 243.347 2.431 20 0 BEADHM O=C(C[C@H]1CCCOC1)[N-]OCc1ccccc1 ZINC000195068845 634348608 /nfs/dbraw/zinc/34/86/08/634348608.db2.gz OBNOQLRIPJEPPU-CYBMUJFWSA-N -1 3 249.310 2.051 20 0 BEADHM CCSCCSc1ncc(C(=O)OC)[n-]1 ZINC000187597081 635301340 /nfs/dbraw/zinc/30/13/40/635301340.db2.gz MXWOJRHZZOHVSW-UHFFFAOYSA-N -1 3 246.357 2.042 20 0 BEADHM CC[C@H](C)CC(=O)[N-]OCc1ccccn1 ZINC000909539634 636233718 /nfs/dbraw/zinc/23/37/18/636233718.db2.gz GWAOTXDYQUIPKY-JTQLQIEISA-N -1 3 222.288 2.066 20 0 BEADHM CC(C)(C(=O)[N-]OCC(F)(F)F)C1CCC1 ZINC000322127402 636802933 /nfs/dbraw/zinc/80/29/33/636802933.db2.gz NFVYKVMKCCMBMZ-UHFFFAOYSA-N -1 3 239.237 2.423 20 0 BEADHM CC[C@H](C)n1[n-]cc2c(=O)cccc-2c1=O ZINC000899356146 637081869 /nfs/dbraw/zinc/08/18/69/637081869.db2.gz XAMUDBJOTSWKBU-QMMMGPOBSA-N -1 3 218.256 2.073 20 0 BEADHM CC[C@H](C)n1ncc2c([O-])cccc2c1=O ZINC000899356146 637081873 /nfs/dbraw/zinc/08/18/73/637081873.db2.gz XAMUDBJOTSWKBU-QMMMGPOBSA-N -1 3 218.256 2.073 20 0 BEADHM CCOCc1nnc([N-]Cc2cc(C)co2)o1 ZINC000905411903 637799834 /nfs/dbraw/zinc/79/98/34/637799834.db2.gz PKYNZTHMALSKKE-UHFFFAOYSA-N -1 3 237.259 2.120 20 0 BEADHM COCCO[N-]C(=O)C1(C2CCCCC2)CC1 ZINC000906909009 638268874 /nfs/dbraw/zinc/26/88/74/638268874.db2.gz GJLVFXQJFBDEDY-UHFFFAOYSA-N -1 3 241.331 2.041 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CCC[C@H]2C[C@H]21 ZINC000908133918 638578249 /nfs/dbraw/zinc/57/82/49/638578249.db2.gz PSGBPVBXRBVYFV-VHSXEESVSA-N -1 3 247.294 2.025 20 0 BEADHM Cc1nc(N[C@@H]2CC=CCC2)cc(=O)[n-]1 ZINC000165851199 638589475 /nfs/dbraw/zinc/58/94/75/638589475.db2.gz QSLMQCOBLHERDD-SECBINFHSA-N -1 3 205.261 2.011 20 0 BEADHM Cc1nc(N[C@H]2CC=CCC2)cc(=O)[n-]1 ZINC000165851078 638591902 /nfs/dbraw/zinc/59/19/02/638591902.db2.gz QSLMQCOBLHERDD-VIFPVBQESA-N -1 3 205.261 2.011 20 0 BEADHM O=C([N-]OC1CCC1)C1(C2CC2)CCC1 ZINC000908568374 639019698 /nfs/dbraw/zinc/01/96/98/639019698.db2.gz ADIRXLOZDITAKF-UHFFFAOYSA-N -1 3 209.289 2.167 20 0 BEADHM CCC[C@@H](CN=c1cc[nH]cc1Cl)C(=O)[O-] ZINC000910465474 639460888 /nfs/dbraw/zinc/46/08/88/639460888.db2.gz JXKISHTVQFLGHK-QMMMGPOBSA-N -1 3 242.706 2.070 20 0 BEADHM Cc1nc(N[C@@H](C)c2cccnc2)cc(=O)[n-]1 ZINC000163612738 640093767 /nfs/dbraw/zinc/09/37/67/640093767.db2.gz CTMFPWYKZBEWKB-QMMMGPOBSA-N -1 3 230.271 2.059 20 0 BEADHM CSCCCCC(=O)[N-]OCC(C)C ZINC000156560623 640466994 /nfs/dbraw/zinc/46/69/94/640466994.db2.gz ALAHSFINVSPHNJ-UHFFFAOYSA-N -1 3 219.350 2.224 20 0 BEADHM O=C(OCc1ccncc1)c1ccc([O-])cc1 ZINC000165038524 640528259 /nfs/dbraw/zinc/52/82/59/640528259.db2.gz WLXNMPUEIMPCLH-UHFFFAOYSA-N -1 3 229.235 2.144 20 0 BEADHM Cc1nc(N2CCCC(C)(C)C2)cc(=O)[n-]1 ZINC000165418516 640575853 /nfs/dbraw/zinc/57/58/53/640575853.db2.gz AWLNCRRDWNQWQX-UHFFFAOYSA-N -1 3 221.304 2.117 20 0 BEADHM CSCC[C@H](C)Nc1cc(=O)[n-]c(C)n1 ZINC000165919227 640599019 /nfs/dbraw/zinc/59/90/19/640599019.db2.gz FDCVCYRCOIJQQV-ZETCQYMHSA-N -1 3 227.333 2.044 20 0 BEADHM O=C(CC1COC1)Nc1cc(Cl)ccc1[O-] ZINC000170242810 640893784 /nfs/dbraw/zinc/89/37/84/640893784.db2.gz ZAUGZCUHYHJDKM-UHFFFAOYSA-N -1 3 241.674 2.021 20 0 BEADHM CO[N-]C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000062265985 641030742 /nfs/dbraw/zinc/03/07/42/641030742.db2.gz RMSNYIXUIVBQKZ-UHFFFAOYSA-N -1 3 238.674 2.041 20 0 BEADHM CO[N-]C(=O)CC(C)(C)c1ccccc1 ZINC000062319480 641036333 /nfs/dbraw/zinc/03/63/33/641036333.db2.gz DADKHLLLQPXBDF-UHFFFAOYSA-N -1 3 207.273 2.032 20 0 BEADHM CC[C@@H]1COCCN1Cc1ccc([O-])c(F)c1 ZINC000232449682 641272977 /nfs/dbraw/zinc/27/29/77/641272977.db2.gz NQXOKBIOUXWPBE-LLVKDONJSA-N -1 3 239.290 2.142 20 0 BEADHM CC(C)[C@H](Nc1cc(=O)[n-]cn1)C1CC1 ZINC000323927983 641301501 /nfs/dbraw/zinc/30/15/01/641301501.db2.gz XXOXQOAQBKTPOH-NSHDSACASA-N -1 3 207.277 2.029 20 0 BEADHM O=C(C[C@H]1CC=CCC1)[N-]OCC(F)F ZINC000935389361 641401030 /nfs/dbraw/zinc/40/10/30/641401030.db2.gz UFOYMVVXTAOKSG-QMMMGPOBSA-N -1 3 219.231 2.046 20 0 BEADHM CSCCO[N-]C(=O)C[C@H]1CC=CCC1 ZINC000935755434 641476686 /nfs/dbraw/zinc/47/66/86/641476686.db2.gz IVFIDCOZGJYVBA-JTQLQIEISA-N -1 3 229.345 2.144 20 0 BEADHM CCCCC1(C(=O)[N-]OCCCOC)CC1 ZINC000935967330 641508349 /nfs/dbraw/zinc/50/83/49/641508349.db2.gz WITDSOHOMHPMRO-UHFFFAOYSA-N -1 3 229.320 2.041 20 0 BEADHM Cc1ccoc1CN(CCC(=O)[O-])C1CC1 ZINC000229550922 641757534 /nfs/dbraw/zinc/75/75/34/641757534.db2.gz UYGVQVMWMHZIGG-UHFFFAOYSA-N -1 3 223.272 2.027 20 0 BEADHM CCO[N-]C(=O)CCCc1ccc(C)cc1 ZINC000916148379 641912354 /nfs/dbraw/zinc/91/23/54/641912354.db2.gz CHVGPMWXVREZCS-UHFFFAOYSA-N -1 3 221.300 2.385 20 0 BEADHM CO[N-]C(=O)Cc1ccc2ccccc2c1 ZINC000070273745 643005881 /nfs/dbraw/zinc/00/58/81/643005881.db2.gz YHKCPBZPISLGEF-UHFFFAOYSA-N -1 3 215.252 2.060 20 0 BEADHM CCCO[N-]C(=O)C[C@H]1CCC[C@@H](OC)C1 ZINC000844086848 643384618 /nfs/dbraw/zinc/38/46/18/643384618.db2.gz BMCXDKUBENSECF-WDEREUQCSA-N -1 3 229.320 2.040 20 0 BEADHM CCN(Cc1cc(C(=O)[O-])ccc1OC)C1CC1 ZINC000050126794 643605030 /nfs/dbraw/zinc/60/50/30/643605030.db2.gz UFJFLOONUOHPBA-UHFFFAOYSA-N -1 3 249.310 2.378 20 0 BEADHM CC(C)C[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000307771568 643647393 /nfs/dbraw/zinc/64/73/93/643647393.db2.gz CKIIDKOLLRHSKN-JTQLQIEISA-N -1 3 221.304 2.055 20 0 BEADHM CC(C)OCCCOC(=O)c1ccc([O-])cc1 ZINC000198913141 643685617 /nfs/dbraw/zinc/68/56/17/643685617.db2.gz VRIVVZASVRDOKD-UHFFFAOYSA-N -1 3 238.283 2.364 20 0 BEADHM CC[C@@H](CO)/N=C/c1cc(Cl)ccc1[O-] ZINC000186943766 644162397 /nfs/dbraw/zinc/16/23/97/644162397.db2.gz AMMRKTSXYWJLOF-FYTLYHSASA-N -1 3 227.691 2.235 20 0 BEADHM CCO[N-]C(=O)[C@]1(C)CCc2ccccc2C1 ZINC000079429709 644179941 /nfs/dbraw/zinc/17/99/41/644179941.db2.gz OSAALVSLNFFGIH-CQSZACIVSA-N -1 3 233.311 2.249 20 0 BEADHM CC[C@H](C(=O)[O-])N(C)Cc1sccc1C ZINC000083414634 644403204 /nfs/dbraw/zinc/40/32/04/644403204.db2.gz RVGFBUVBIUYWMI-SECBINFHSA-N -1 3 227.329 2.352 20 0 BEADHM C=CCCCOc1ccccc1-c1nnn[n-]1 ZINC000095128284 644741934 /nfs/dbraw/zinc/74/19/34/644741934.db2.gz XHAKJLNEVXPFLP-UHFFFAOYSA-N -1 3 230.271 2.212 20 0 BEADHM C=CCCCOc1ccccc1-c1nn[n-]n1 ZINC000095128284 644741944 /nfs/dbraw/zinc/74/19/44/644741944.db2.gz XHAKJLNEVXPFLP-UHFFFAOYSA-N -1 3 230.271 2.212 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CCCCCC1 ZINC000096785578 644837334 /nfs/dbraw/zinc/83/73/34/644837334.db2.gz AKLCCYCGEWEHLR-UHFFFAOYSA-N -1 3 249.310 2.417 20 0 BEADHM CC(F)(F)C(=O)[N-]Cc1ccc(F)c(F)c1 ZINC000808457114 644880472 /nfs/dbraw/zinc/88/04/72/644880472.db2.gz DOPLQQLWRJJYFM-UHFFFAOYSA-N -1 3 235.180 2.236 20 0 BEADHM CCCC1(C(=O)[N-]OCC2CC2)CCC1 ZINC000817339558 644973653 /nfs/dbraw/zinc/97/36/53/644973653.db2.gz NQSYLDVZOLPDRE-UHFFFAOYSA-N -1 3 211.305 2.415 20 0 BEADHM CO[C@@H]1CCC[C@H](CC(=O)[N-]OCC2CC2)C1 ZINC000817339780 644973663 /nfs/dbraw/zinc/97/36/63/644973663.db2.gz XGHRRDLJVIZZAV-NWDGAFQWSA-N -1 3 241.331 2.040 20 0 BEADHM CC[C@H]1C[C@@H](CC(=O)[N-]OCC2CC2)CCO1 ZINC000817368359 644974661 /nfs/dbraw/zinc/97/46/61/644974661.db2.gz SXYGZDVJUDWQRP-RYUDHWBXSA-N -1 3 241.331 2.040 20 0 BEADHM CC(=O)[C@H](C)CCCCC(=O)[N-]OCC1CC1 ZINC000817357277 644975701 /nfs/dbraw/zinc/97/57/01/644975701.db2.gz FNGGTLLRPRGFBY-SNVBAGLBSA-N -1 3 241.331 2.230 20 0 BEADHM C[C@H](CC(=O)[N-]OCCC1CC1)c1ccncc1 ZINC000817403812 644979530 /nfs/dbraw/zinc/97/95/30/644979530.db2.gz PZTPEVGKILLLOQ-LLVKDONJSA-N -1 3 248.326 2.423 20 0 BEADHM CC(C)c1ccc(C(=O)NN2CCCC2)c([O-])c1 ZINC000819651475 645012058 /nfs/dbraw/zinc/01/20/58/645012058.db2.gz OXVQTLAJPCXDQF-UHFFFAOYSA-N -1 3 248.326 2.256 20 0 BEADHM CCC(F)(F)C(=O)[N-][C@H](COC)c1ccco1 ZINC000829499128 645109449 /nfs/dbraw/zinc/10/94/49/645109449.db2.gz KEZFJDLINCOGBH-MRVPVSSYSA-N -1 3 247.241 2.129 20 0 BEADHM O=C(OC[C@@H]1CCCO1)c1cc2occc2[n-]1 ZINC000115388387 645635586 /nfs/dbraw/zinc/63/55/86/645635586.db2.gz ZMDJWJGZQAHJAN-QMMMGPOBSA-N -1 3 235.239 2.097 20 0 BEADHM C[C@H](NCc1ccon1)c1cc([O-])cc(F)c1 ZINC000925212149 646210362 /nfs/dbraw/zinc/21/03/62/646210362.db2.gz OYQJXEVBEFXDQO-QMMMGPOBSA-N -1 3 236.246 2.370 20 0 BEADHM Cc1nc(NC[C@@H]2CCCSC2)cc(=O)[n-]1 ZINC000384174199 710991333 /nfs/dbraw/zinc/99/13/33/710991333.db2.gz VBIPIZGIXZAVPS-VIFPVBQESA-N -1 3 239.344 2.046 20 0 BEADHM CC[C@]1(C)CCN(c2cc(=O)[n-]c(C)n2)C1 ZINC000399338134 711429354 /nfs/dbraw/zinc/42/93/54/711429354.db2.gz SYBXTXKFZSCFEP-GFCCVEGCSA-N -1 3 221.304 2.117 20 0 BEADHM Cc1nc(N2CCC(C3CC3)CC2)cc(=O)[n-]1 ZINC000724827501 711616952 /nfs/dbraw/zinc/61/69/52/711616952.db2.gz WCHGXFTZJPMAPH-UHFFFAOYSA-N -1 3 233.315 2.117 20 0 BEADHM [O-]c1ccc(CN2CCC(F)(F)C2)cc1F ZINC000313322953 711718113 /nfs/dbraw/zinc/71/81/13/711718113.db2.gz QUMLQZBQHYOVHJ-UHFFFAOYSA-N -1 3 231.217 2.372 20 0 BEADHM O=C([O-])C[C@@H]1CCCN1Cc1ccc(Cl)o1 ZINC000257649050 711723480 /nfs/dbraw/zinc/72/34/80/711723480.db2.gz FJFYPUSQCPGLDE-QMMMGPOBSA-N -1 3 243.690 2.372 20 0 BEADHM C/C(=C\C(C)(C)C)C(=O)NCc1ncccc1[O-] ZINC000792616843 711772754 /nfs/dbraw/zinc/77/27/54/711772754.db2.gz CLJOUPCXDSCWCU-CSKARUKUSA-N -1 3 248.326 2.396 20 0 BEADHM CC(=O)[N-]O[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000180807762 711890173 /nfs/dbraw/zinc/89/01/73/711890173.db2.gz PWFFMZNDSIDAMP-SECBINFHSA-N -1 3 246.266 2.470 20 0 BEADHM CC1(C)C[C@@]1(C)NCc1cccc(C(=O)[O-])n1 ZINC000701962979 712033915 /nfs/dbraw/zinc/03/39/15/712033915.db2.gz ZIUAAZLTQPDUEP-CYBMUJFWSA-N -1 3 234.299 2.058 20 0 BEADHM Cc1oc(C(=O)[O-])cc1CNCC1=CCCC1 ZINC000705315140 712128514 /nfs/dbraw/zinc/12/85/14/712128514.db2.gz ABBDEYDNIHUSDR-UHFFFAOYSA-N -1 3 235.283 2.486 20 0 BEADHM O=C([O-])c1occc1CNCC1=CCCC1 ZINC000705353525 712130280 /nfs/dbraw/zinc/13/02/80/712130280.db2.gz SPNXYLIQJHCXGJ-UHFFFAOYSA-N -1 3 221.256 2.178 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@@H](CF)C2)c([O-])c1 ZINC000711468510 712302348 /nfs/dbraw/zinc/30/23/48/712302348.db2.gz ISGSSCRORYOBOK-JTQLQIEISA-N -1 3 237.274 2.132 20 0 BEADHM COc1cccc([O-])c1C(=O)NC[C@@H]1C=CCC1 ZINC000711709504 712320098 /nfs/dbraw/zinc/32/00/98/712320098.db2.gz ZFYGGCAHMYJGLL-SNVBAGLBSA-N -1 3 247.294 2.097 20 0 BEADHM Cc1nc(NCC[C@H]2CCCS2)cc(=O)[n-]1 ZINC000715636053 712528219 /nfs/dbraw/zinc/52/82/19/712528219.db2.gz LNXPKPNEGYJLBJ-SECBINFHSA-N -1 3 239.344 2.188 20 0 BEADHM Cc1ccc(C(=O)NC[C@@H]2CCC=CO2)c([O-])c1 ZINC000380026338 712683012 /nfs/dbraw/zinc/68/30/12/712683012.db2.gz VHVMFHQEBQTWDF-NSHDSACASA-N -1 3 247.294 2.123 20 0 BEADHM C[C@H](Oc1ccnc(N)c1)C1=CC=C[CH]1 ZINC001226658147 975005653 /nfs/dbraw/zinc/00/56/53/975005653.db2.gz YFICRXVXHJGWDX-VIFPVBQESA-N -1 3 201.249 2.132 20 0 BEADHM [O-]c1c(F)cc(CN2C[C@@H]3C[C@@H]3C2)cc1F ZINC001140988415 960777948 /nfs/dbraw/zinc/77/79/48/960777948.db2.gz AFZIUTMOASPROR-DTORHVGOSA-N -1 3 225.238 2.122 20 0 BEADHM CSCCCN(C)Cc1occc1C(=O)[O-] ZINC000300846988 963037419 /nfs/dbraw/zinc/03/74/19/963037419.db2.gz NDZOWESMMPWLLV-UHFFFAOYSA-N -1 3 243.328 2.163 20 0 BEADHM CCC(C)(C)CNCc1ncc(C(=O)[O-])s1 ZINC000309483124 963351964 /nfs/dbraw/zinc/35/19/64/963351964.db2.gz XCLVZYYXOSUSKV-UHFFFAOYSA-N -1 3 242.344 2.367 20 0 BEADHM C[C@@H]1CCC[C@@H](Oc2ccc(=O)[n-]n2)[C@@H]1C ZINC001227093753 963453470 /nfs/dbraw/zinc/45/34/70/963453470.db2.gz RAGBUAMTEVISTN-OPRDCNLKSA-N -1 3 222.288 2.386 20 0 BEADHM Cc1cc(C)nc(NCc2cc(=O)[n-]o2)c1 ZINC001158560516 963886016 /nfs/dbraw/zinc/88/60/16/963886016.db2.gz SFMQHSPKFNDLMF-UHFFFAOYSA-N -1 3 219.244 2.004 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC/C=C\Cl ZINC001158553283 963887610 /nfs/dbraw/zinc/88/76/10/963887610.db2.gz XOFGALFBEFCVGZ-UTCJRWHESA-N -1 3 225.675 2.183 20 0 BEADHM Cc1cc(C(=O)/C=C/c2csnn2)ccc1[O-] ZINC000077166031 1165787354 /nfs/dbraw/zinc/78/73/54/1165787354.db2.gz FUKITBAZKIYFQH-HWKANZROSA-N -1 3 246.291 2.448 20 0 BEADHM Cc1nonc1[N-]c1cc(Cl)ccc1N ZINC001212427032 967166958 /nfs/dbraw/zinc/16/69/58/967166958.db2.gz CQQOHAGMJINVDZ-UHFFFAOYSA-N -1 3 224.651 2.357 20 0 BEADHM COc1cc(C)c([N-]c2nnco2)c(C)c1 ZINC001250030427 967284723 /nfs/dbraw/zinc/28/47/23/967284723.db2.gz CRRQRBMGMRYBJS-UHFFFAOYSA-N -1 3 219.244 2.439 20 0 BEADHM O=c1[nH]nccc1Nc1cccc([O-])c1Cl ZINC001210853967 1165958538 /nfs/dbraw/zinc/95/85/38/1165958538.db2.gz SHBUWYINNYCQMX-UHFFFAOYSA-N -1 3 237.646 2.285 20 0 BEADHM CC(C)=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001240635186 968594603 /nfs/dbraw/zinc/59/46/03/968594603.db2.gz DOTMPNYSEROPFW-UHFFFAOYSA-N -1 3 200.245 2.290 20 0 BEADHM CC(C)=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001240635186 968594612 /nfs/dbraw/zinc/59/46/12/968594612.db2.gz DOTMPNYSEROPFW-UHFFFAOYSA-N -1 3 200.245 2.290 20 0 BEADHM CC(C)(C)[C@@H](O)CNc1c([O-])cc(F)cc1F ZINC001253732452 969354720 /nfs/dbraw/zinc/35/47/20/969354720.db2.gz BLBVSRRBHLFMHU-JTQLQIEISA-N -1 3 245.269 2.489 20 0 BEADHM CCc1nnc(-c2c(C)cc(O)cc2[O-])o1 ZINC001255145281 969953507 /nfs/dbraw/zinc/95/35/07/969953507.db2.gz XRQJOTKZLUCSIE-UHFFFAOYSA-N -1 3 220.228 2.019 20 0 BEADHM Cc1ccc(NC(=O)c2cc(=O)[n-]cn2)c(C)c1 ZINC000585357412 1167031915 /nfs/dbraw/zinc/03/19/15/1167031915.db2.gz ZHRHAPDBXXDRLT-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM CC1(C)C[C@H](Oc2ccnc(=S)[n-]2)CCO1 ZINC001226939856 1167198382 /nfs/dbraw/zinc/19/83/82/1167198382.db2.gz JKXVFLRBMKDYSP-MRVPVSSYSA-N -1 3 240.328 2.102 20 0 BEADHM CC(C)[C@H](C)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227612791 975582875 /nfs/dbraw/zinc/58/28/75/975582875.db2.gz ILEHQLZWCHABTR-LURJTMIESA-N -1 3 238.316 2.065 20 0 BEADHM C[C@H]1CCC[C@]1(C)C(=O)[N-]OCc1ccccn1 ZINC000909543651 1167312980 /nfs/dbraw/zinc/31/29/80/1167312980.db2.gz DTBDYXSJWUFUBQ-FZMZJTMJSA-N -1 3 248.326 2.456 20 0 BEADHM Cc1cc(F)cc(Nc2cnc[n-]c2=O)c1 ZINC001174530166 976813209 /nfs/dbraw/zinc/81/32/09/976813209.db2.gz UQLMUBZPECTRMM-UHFFFAOYSA-N -1 3 219.219 2.373 20 0 BEADHM C[C@@]1(C(=O)Nc2cncc([O-])c2)CC=CCC1 ZINC001142540982 1167512401 /nfs/dbraw/zinc/51/24/01/1167512401.db2.gz UBAOFLGXDLQQMY-CYBMUJFWSA-N -1 3 232.283 2.472 20 0 BEADHM CC(C)(C)NC(=O)Nc1ccc([O-])c(F)c1 ZINC000034146492 1167562611 /nfs/dbraw/zinc/56/26/11/1167562611.db2.gz LGSPBYYGUISPNV-UHFFFAOYSA-N -1 3 226.251 2.451 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H](C)C2(C)CC2)n1 ZINC001336753941 977914127 /nfs/dbraw/zinc/91/41/27/977914127.db2.gz NZITZOSMVXNLBX-QMMMGPOBSA-N -1 3 207.277 2.091 20 0 BEADHM C[C@H]1CCCN1Cc1cc(Cl)ncc1[O-] ZINC001233033329 978421667 /nfs/dbraw/zinc/42/16/67/978421667.db2.gz KXZHGCFTQIJFTG-QMMMGPOBSA-N -1 3 226.707 2.425 20 0 BEADHM [O-]c1cnc(Cl)cc1CN1CCCCC1 ZINC001233032478 978418250 /nfs/dbraw/zinc/41/82/50/978418250.db2.gz GGAQFJYJTXRAKM-UHFFFAOYSA-N -1 3 226.707 2.427 20 0 BEADHM Cc1coc(CNC[C@H](CC(=O)[O-])C(F)F)c1 ZINC001339240694 978823827 /nfs/dbraw/zinc/82/38/27/978823827.db2.gz MQTLYJAZVDLRNS-QMMMGPOBSA-N -1 3 247.241 2.034 20 0 BEADHM [O-]c1ccc(CNCc2ncc[nH]2)cc1Cl ZINC000070819522 978909941 /nfs/dbraw/zinc/90/99/41/978909941.db2.gz FKPZIKSZTJDRQT-UHFFFAOYSA-N -1 3 237.690 2.059 20 0 BEADHM C[C@@H](CC(=O)[O-])NCc1ccc(F)c(F)c1F ZINC001603133265 979385877 /nfs/dbraw/zinc/38/58/77/979385877.db2.gz MKGGLCQJGJQBPS-LURJTMIESA-N -1 3 247.216 2.057 20 0 BEADHM CC1(F)CN(Cc2sc(=O)[n-]c2Cl)C1 ZINC001237156459 979824483 /nfs/dbraw/zinc/82/44/83/979824483.db2.gz COOHIIBNAFSYJB-UHFFFAOYSA-N -1 3 236.699 2.046 20 0 BEADHM O=C1CCCN(Cc2occc2[S-])C[C@@H]1F ZINC001237182708 979832944 /nfs/dbraw/zinc/83/29/44/979832944.db2.gz UBJBVEGRIWGMDW-QMMMGPOBSA-N -1 3 243.303 2.071 20 0 BEADHM CC[C@H](C)CCC(=O)Nc1cc(=O)[n-]c(C)n1 ZINC001185561671 980242969 /nfs/dbraw/zinc/24/29/69/980242969.db2.gz ALRHETCANJVQFD-QMMMGPOBSA-N -1 3 237.303 2.255 20 0 BEADHM [O-]c1cc(F)cc(-c2ncnn3cccc23)c1 ZINC001241271004 1168465254 /nfs/dbraw/zinc/46/52/54/1168465254.db2.gz GUSBARDADQBDHG-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cc1cccc([O-])c1C(=O)Nc1ccc[nH]1 ZINC001188640064 980686420 /nfs/dbraw/zinc/68/64/20/980686420.db2.gz DBVVKJBWPTURBW-UHFFFAOYSA-N -1 3 216.240 2.281 20 0 BEADHM CSc1ccc([O-])c(C(=O)NC2(C)CC2)c1 ZINC001347517007 981104787 /nfs/dbraw/zinc/10/47/87/981104787.db2.gz YXCPGYPCFRVXDN-UHFFFAOYSA-N -1 3 237.324 2.396 20 0 BEADHM CCCCCOC(=O)NCc1ncccc1[O-] ZINC001193787195 981436413 /nfs/dbraw/zinc/43/64/13/981436413.db2.gz SUIOFBFZHLJWQI-UHFFFAOYSA-N -1 3 238.287 2.204 20 0 BEADHM Cc1nocc1[N-]C(=O)c1csnc1C ZINC001585126787 981907943 /nfs/dbraw/zinc/90/79/43/981907943.db2.gz KOKDXKMAAVBPBA-UHFFFAOYSA-N -1 3 223.257 2.000 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)OCCF ZINC001194962936 981998465 /nfs/dbraw/zinc/99/84/65/981998465.db2.gz AALZFTJRBYZWEX-UHFFFAOYSA-N -1 3 217.171 2.049 20 0 BEADHM [O-]c1cc(Nc2cnoc2)c(F)cc1F ZINC001203240518 982358122 /nfs/dbraw/zinc/35/81/22/982358122.db2.gz SPHILJNGFROXCF-UHFFFAOYSA-N -1 3 212.155 2.402 20 0 BEADHM Cc1cncc(-c2cc([O-])cc(F)c2)n1 ZINC001241257175 982395224 /nfs/dbraw/zinc/39/52/24/982395224.db2.gz GUWQRAUBGNTUKH-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM CC[C@@H](CN[C@H](C)c1csc(C)n1)C(=O)[O-] ZINC001589551865 982823053 /nfs/dbraw/zinc/82/30/53/982823053.db2.gz LWZUIUKLCPBXIX-APPZFPTMSA-N -1 3 242.344 2.213 20 0 BEADHM CCSCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001590853908 983003202 /nfs/dbraw/zinc/00/32/02/983003202.db2.gz RSQBEAZOSCAMNW-UHFFFAOYSA-N -1 3 234.328 2.428 20 0 BEADHM CCSCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001590853908 983003215 /nfs/dbraw/zinc/00/32/15/983003215.db2.gz RSQBEAZOSCAMNW-UHFFFAOYSA-N -1 3 234.328 2.428 20 0 BEADHM CC(C)(C)O[N-]C(=O)C[C@H]1CC(C)(C)CO1 ZINC000717002548 983148249 /nfs/dbraw/zinc/14/82/49/983148249.db2.gz LSIOIMKIDMRANC-VIFPVBQESA-N -1 3 229.320 2.038 20 0 BEADHM CC(C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC000095149829 1169015309 /nfs/dbraw/zinc/01/53/09/1169015309.db2.gz QQBHNWBQHRYQOP-UHFFFAOYSA-N -1 3 249.293 2.098 20 0 BEADHM CC(C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC000095149829 1169015320 /nfs/dbraw/zinc/01/53/20/1169015320.db2.gz QQBHNWBQHRYQOP-UHFFFAOYSA-N -1 3 249.293 2.098 20 0 BEADHM CCSc1ccc(C)cc1-c1nnn[n-]1 ZINC000095282451 1169024636 /nfs/dbraw/zinc/02/46/36/1169024636.db2.gz ALENUHSOELMKRJ-UHFFFAOYSA-N -1 3 220.301 2.287 20 0 BEADHM CCSc1ccc(C)cc1-c1nn[n-]n1 ZINC000095282451 1169024646 /nfs/dbraw/zinc/02/46/46/1169024646.db2.gz ALENUHSOELMKRJ-UHFFFAOYSA-N -1 3 220.301 2.287 20 0 BEADHM CCC[C@H](O)CNc1ccc(F)c(F)c1[O-] ZINC001252797547 983894067 /nfs/dbraw/zinc/89/40/67/983894067.db2.gz QCCIBVNLGYXNBO-ZETCQYMHSA-N -1 3 231.242 2.243 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@H]1CCC[C@H](C)C1 ZINC001226071758 974776791 /nfs/dbraw/zinc/77/67/91/974776791.db2.gz UFLPQURXCFEOMG-WPRPVWTQSA-N -1 3 222.288 2.448 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@@H]1CC[C@H](C)C1 ZINC001226071784 974776887 /nfs/dbraw/zinc/77/68/87/974776887.db2.gz UWFUBVJHFHVQJZ-IONNQARKSA-N -1 3 208.261 2.058 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@H](C)COC(C)(C)C ZINC001226071828 974778063 /nfs/dbraw/zinc/77/80/63/974778063.db2.gz VXYHFKHSNSSDFD-MRVPVSSYSA-N -1 3 240.303 2.073 20 0 BEADHM [O-]c1cccc(CN2CCC2)c1Br ZINC001140547057 1169372507 /nfs/dbraw/zinc/37/25/07/1169372507.db2.gz GKQMODBXAYQHLJ-UHFFFAOYSA-N -1 3 242.116 2.360 20 0 BEADHM O=C([O-])c1ccsc1CN1CC2(CCC2)C1 ZINC001144670738 972925034 /nfs/dbraw/zinc/92/50/34/972925034.db2.gz OPECSMBTVVSLNY-UHFFFAOYSA-N -1 3 237.324 2.432 20 0 BEADHM CC1(C)CN(Cc2sccc2C(=O)[O-])C1 ZINC001144666305 972926704 /nfs/dbraw/zinc/92/67/04/972926704.db2.gz ZEBBIYZNQCZWRU-UHFFFAOYSA-N -1 3 225.313 2.288 20 0 BEADHM [O-]c1cc(F)c(Nc2ncco2)cc1F ZINC001215569904 970784624 /nfs/dbraw/zinc/78/46/24/970784624.db2.gz IWMFPNGTVCAUHL-UHFFFAOYSA-N -1 3 212.155 2.402 20 0 BEADHM COc1c(F)c(C)ccc1Nc1cnc[n-]c1=O ZINC001215601971 970795552 /nfs/dbraw/zinc/79/55/52/970795552.db2.gz XYQNHFFTXINZKN-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM Cc1ccc(-c2nnc(-c3cnn[n-]3)o2)cc1C ZINC001256583497 970871331 /nfs/dbraw/zinc/87/13/31/970871331.db2.gz YWDKEINBWGKKIF-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM Cc1ccc(-c2nnc(-c3c[n-]nn3)o2)cc1C ZINC001256583497 970871332 /nfs/dbraw/zinc/87/13/32/970871332.db2.gz YWDKEINBWGKKIF-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM Cc1ccc(-c2nnc(-c3cn[n-]n3)o2)cc1C ZINC001256583497 970871338 /nfs/dbraw/zinc/87/13/38/970871338.db2.gz YWDKEINBWGKKIF-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM CSc1ccc(Nc2cnc[n-]c2=O)c(C)n1 ZINC001215907091 970871971 /nfs/dbraw/zinc/87/19/71/970871971.db2.gz NGCBXFWDKYIPOZ-UHFFFAOYSA-N -1 3 248.311 2.351 20 0 BEADHM C[C@@]1(C(=O)[O-])CCN(CC=C(Cl)Cl)C1 ZINC000403365211 970920489 /nfs/dbraw/zinc/92/04/89/970920489.db2.gz YTXACDYSZDVYEN-SECBINFHSA-N -1 3 238.114 2.102 20 0 BEADHM Cc1nc(Nc2cc(C)c(F)c(O)c2)cc(=O)[n-]1 ZINC001216078866 970928101 /nfs/dbraw/zinc/92/81/01/970928101.db2.gz LZJZCLILFNLYCU-UHFFFAOYSA-N -1 3 249.245 2.387 20 0 BEADHM Cc1ncc(Nc2cc(C)c(F)c(O)c2)c(=O)[n-]1 ZINC001216078958 970929287 /nfs/dbraw/zinc/92/92/87/970929287.db2.gz TTXUPAQEOAMTEP-UHFFFAOYSA-N -1 3 249.245 2.387 20 0 BEADHM COc1nonc1[N-]c1cc(C)c(C)cc1OC ZINC001216373888 971065524 /nfs/dbraw/zinc/06/55/24/971065524.db2.gz SYOZQAYYPMANMS-UHFFFAOYSA-N -1 3 249.270 2.447 20 0 BEADHM CC(C)CSc1ccc(-c2nnn[n-]2)cn1 ZINC000095207418 944617515 /nfs/dbraw/zinc/61/75/15/944617515.db2.gz OWQBMFDOXSRLSB-UHFFFAOYSA-N -1 3 235.316 2.010 20 0 BEADHM CC(C)CSc1ccc(-c2nn[n-]n2)cn1 ZINC000095207418 944617520 /nfs/dbraw/zinc/61/75/20/944617520.db2.gz OWQBMFDOXSRLSB-UHFFFAOYSA-N -1 3 235.316 2.010 20 0 BEADHM Cc1cc(CO)ccc1Nc1cc(=O)[n-]c(C)n1 ZINC001214657531 1169536623 /nfs/dbraw/zinc/53/66/23/1169536623.db2.gz NKEXFKLXLSZFQQ-UHFFFAOYSA-N -1 3 245.282 2.035 20 0 BEADHM COc1cccc([O-])c1C(=O)N(C)[C@H](C)C1CC1 ZINC000405297358 971233921 /nfs/dbraw/zinc/23/39/21/971233921.db2.gz PPPWJKZORDINOS-SECBINFHSA-N -1 3 249.310 2.271 20 0 BEADHM Cc1ccc(O)c(-c2ccc(=S)[n-]n2)c1 ZINC001244402707 971262239 /nfs/dbraw/zinc/26/22/39/971262239.db2.gz IGGICONMRWYSFR-UHFFFAOYSA-N -1 3 218.281 2.446 20 0 BEADHM COc1cccc([O-])c1C(=O)N(C)CC(C)C ZINC000405527293 971263739 /nfs/dbraw/zinc/26/37/39/971263739.db2.gz XBNGDRYBUUXCRO-UHFFFAOYSA-N -1 3 237.299 2.129 20 0 BEADHM [O-]c1ccc(-c2cncn3cnnc23)c(Cl)c1 ZINC001245082353 971630948 /nfs/dbraw/zinc/63/09/48/971630948.db2.gz BAPPLEKFWWKGEU-UHFFFAOYSA-N -1 3 246.657 2.150 20 0 BEADHM [O-]c1ccc(Cl)c(OC2CC(O)C2)c1F ZINC001218260835 971663395 /nfs/dbraw/zinc/66/33/95/971663395.db2.gz ZVTIKPLDKSDBJF-UHFFFAOYSA-N -1 3 232.638 2.087 20 0 BEADHM CCC=CNc1ccccc1-c1nnn[n-]1 ZINC001170767852 971760731 /nfs/dbraw/zinc/76/07/31/971760731.db2.gz YMZRVHCWIDTWFY-FPYGCLRLSA-N -1 3 215.260 2.202 20 0 BEADHM CCC=CNc1ccccc1-c1nn[n-]n1 ZINC001170767852 971760743 /nfs/dbraw/zinc/76/07/43/971760743.db2.gz YMZRVHCWIDTWFY-FPYGCLRLSA-N -1 3 215.260 2.202 20 0 BEADHM Cc1cc([O-])c(Cl)cc1O[C@H]1C[C@@H](O)C1 ZINC001218423397 971798480 /nfs/dbraw/zinc/79/84/80/971798480.db2.gz NLBCJVJAZCMRSX-OCAPTIKFSA-N -1 3 228.675 2.256 20 0 BEADHM O=C([O-])c1ccc(CN[C@@H]2CCC(F)(F)C2)o1 ZINC000384066859 971909875 /nfs/dbraw/zinc/90/98/75/971909875.db2.gz UMZUTKOWMAYVHF-SSDOTTSWSA-N -1 3 245.225 2.255 20 0 BEADHM Cc1ncncc1-c1c([O-])cccc1F ZINC001245656202 971953768 /nfs/dbraw/zinc/95/37/68/971953768.db2.gz NCOHJCBLUCHGFL-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM COc1nonc1[N-]c1ccc2cccnc2c1 ZINC001210054242 957630317 /nfs/dbraw/zinc/63/03/17/957630317.db2.gz AILCDSXSSRXAOX-UHFFFAOYSA-N -1 3 242.238 2.370 20 0 BEADHM Cn1ccc(Nc2nc3c(cccc3[O-])s2)n1 ZINC001210347024 957724714 /nfs/dbraw/zinc/72/47/14/957724714.db2.gz ABKPKNAKWKQYND-UHFFFAOYSA-N -1 3 246.295 2.479 20 0 BEADHM Cc1cc(CN2CCC(C)CC2)[nH]c1C(=O)[O-] ZINC000075393801 957743671 /nfs/dbraw/zinc/74/36/71/957743671.db2.gz GLJUSJFTHARXQM-UHFFFAOYSA-N -1 3 236.315 2.253 20 0 BEADHM Cc1ccc(CO)cc1Nc1ncc(F)cc1[O-] ZINC001210678490 957852427 /nfs/dbraw/zinc/85/24/27/957852427.db2.gz RVXCTTZLAFPVGC-UHFFFAOYSA-N -1 3 248.257 2.471 20 0 BEADHM COCc1cncc([N-]c2nc(C)ns2)c1 ZINC001211073999 958013356 /nfs/dbraw/zinc/01/33/56/958013356.db2.gz AFZGHXTVCBILLV-UHFFFAOYSA-N -1 3 236.300 2.132 20 0 BEADHM CCN(Cc1cccnc1)Cc1ccncc1[O-] ZINC001140277543 958060265 /nfs/dbraw/zinc/06/02/65/958060265.db2.gz DCXDIHLEZCOWSR-UHFFFAOYSA-N -1 3 243.310 2.204 20 0 BEADHM CCC(=O)[C@H](CC)Oc1[n-]c(=S)ncc1C ZINC001225741820 974665371 /nfs/dbraw/zinc/66/53/71/974665371.db2.gz DCKMKRSDMZVHGW-VIFPVBQESA-N -1 3 240.328 2.210 20 0 BEADHM Cc1nc(Nc2ccc(F)c(O)c2)cc(=O)[n-]1 ZINC001211215413 958068743 /nfs/dbraw/zinc/06/87/43/958068743.db2.gz KTWNALSBRHLHBR-UHFFFAOYSA-N -1 3 235.218 2.079 20 0 BEADHM Cc1occc1Nc1cc(=O)[n-]c(C)n1 ZINC001211237154 958088334 /nfs/dbraw/zinc/08/83/34/958088334.db2.gz LHFFCINJKABAHG-UHFFFAOYSA-N -1 3 205.217 2.136 20 0 BEADHM Cc1cc(O)cc(Nc2cc(=O)[n-]c(C)n2)c1 ZINC001215507199 958184971 /nfs/dbraw/zinc/18/49/71/958184971.db2.gz AZEHGJWZNXJPSM-UHFFFAOYSA-N -1 3 231.255 2.248 20 0 BEADHM [O-]c1cc(F)cc(F)c1N=C1CCCOC1 ZINC001216507118 959002457 /nfs/dbraw/zinc/00/24/57/959002457.db2.gz WNXGBANEHOXOBE-UHFFFAOYSA-N -1 3 227.210 2.387 20 0 BEADHM C/C=C(\C)C(=O)Nc1c([O-])cccc1C(C)=O ZINC001143943763 972419231 /nfs/dbraw/zinc/41/92/31/972419231.db2.gz KPLRLMNCVSIJRC-XBXARRHUSA-N -1 3 233.267 2.500 20 0 BEADHM NCc1ccc(-c2cc(F)c([O-])c(F)c2)cn1 ZINC001244093549 1169768269 /nfs/dbraw/zinc/76/82/69/1169768269.db2.gz HUDNRXNAMAHOEX-UHFFFAOYSA-N -1 3 236.221 2.191 20 0 BEADHM Cc1ncc(Nc2ccc(C(=O)[O-])cc2C)n1C ZINC001211620797 959586757 /nfs/dbraw/zinc/58/67/57/959586757.db2.gz HACHQXJRMHNAEC-UHFFFAOYSA-N -1 3 245.282 2.479 20 0 BEADHM CC[C@@](C)(NC/C(Cl)=C\Cl)C(=O)[O-] ZINC000211296587 959680848 /nfs/dbraw/zinc/68/08/48/959680848.db2.gz WNCOHYFKDNCBBU-YZCDNWJKSA-N -1 3 226.103 2.148 20 0 BEADHM CC[C@]1(C)CCN(Cc2cncc(C(=O)[O-])c2)C1 ZINC000721606497 959824471 /nfs/dbraw/zinc/82/44/71/959824471.db2.gz WRLYZMLBGOUOEB-CQSZACIVSA-N -1 3 248.326 2.402 20 0 BEADHM C[C@H](Cc1ccco1)NCc1cc(C(=O)[O-])co1 ZINC000228161361 959996021 /nfs/dbraw/zinc/99/60/21/959996021.db2.gz BQQQIOIINNRFBR-SECBINFHSA-N -1 3 249.266 2.292 20 0 BEADHM [O-]c1ccc(CN2C[C@@H]3C[C@@H]3C2)c(F)c1F ZINC001140888387 960668125 /nfs/dbraw/zinc/66/81/25/960668125.db2.gz REZNGTNNFDCZFT-DTORHVGOSA-N -1 3 225.238 2.122 20 0 BEADHM O=C([O-])c1ccc(CN2CCC[C@@H](F)CC2)o1 ZINC001140944212 960734821 /nfs/dbraw/zinc/73/48/21/960734821.db2.gz VHMNWGZITHQFOA-SECBINFHSA-N -1 3 241.262 2.302 20 0 BEADHM C/C=C/C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001141651318 961129147 /nfs/dbraw/zinc/12/91/47/961129147.db2.gz FNTJYMHCCFSNHF-HWKANZROSA-N -1 3 219.240 2.109 20 0 BEADHM C/C=C\C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001141651319 961132459 /nfs/dbraw/zinc/13/24/59/961132459.db2.gz FNTJYMHCCFSNHF-HYXAFXHYSA-N -1 3 219.240 2.109 20 0 BEADHM Cc1cccc([O-])c1C(=O)NOC/C=C\Cl ZINC001141763401 961143215 /nfs/dbraw/zinc/14/32/15/961143215.db2.gz PGLRPMYAYUMSEM-UTCJRWHESA-N -1 3 241.674 2.115 20 0 BEADHM CC(C)(C)O[N-]C(=O)CC[C@H]1CCCCO1 ZINC000134228299 962752020 /nfs/dbraw/zinc/75/20/20/962752020.db2.gz PPOTVNDLTHXLDM-SNVBAGLBSA-N -1 3 229.320 2.182 20 0 BEADHM CC(C)(C)O[N-]C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000712071718 962814664 /nfs/dbraw/zinc/81/46/64/962814664.db2.gz YPJXFISWJRCYDG-UWVGGRQHSA-N -1 3 211.305 2.269 20 0 BEADHM C[C@@H]1CCC[C@H](C)[C@H]1Oc1ccc(=O)[n-]n1 ZINC001227093811 963454344 /nfs/dbraw/zinc/45/43/44/963454344.db2.gz SVXCKYHXXFTKNO-GDGBQDQQSA-N -1 3 222.288 2.386 20 0 BEADHM C[C@H](N[C@H]1CC[C@@H]1C)c1ncc(C(=O)[O-])s1 ZINC000314759476 963805660 /nfs/dbraw/zinc/80/56/60/963805660.db2.gz GQFBLUDGQUJTAH-FXQIFTODSA-N -1 3 240.328 2.290 20 0 BEADHM CCCCN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000315340776 963885140 /nfs/dbraw/zinc/88/51/40/963885140.db2.gz OAVFDMVRMCFLDZ-SSDOTTSWSA-N -1 3 228.317 2.292 20 0 BEADHM CCCc1ccnc(NCc2ncccc2[O-])n1 ZINC001158773808 963924331 /nfs/dbraw/zinc/92/43/31/963924331.db2.gz CKASRDUASGAEJR-UHFFFAOYSA-N -1 3 244.298 2.142 20 0 BEADHM CC(C)c1cncnc1NCc1ncccc1[O-] ZINC001158774559 963924856 /nfs/dbraw/zinc/92/48/56/963924856.db2.gz NYWNPUPDCLBIQV-UHFFFAOYSA-N -1 3 244.298 2.313 20 0 BEADHM Cc1ncc(CNc2ccc(=S)[n-]n2)s1 ZINC001162156035 964856844 /nfs/dbraw/zinc/85/68/44/964856844.db2.gz DQBHBTMLPZAWPK-UHFFFAOYSA-N -1 3 238.341 2.142 20 0 BEADHM CC(C)(Nc1ccc(=S)[n-]n1)C1CC1 ZINC001162516849 965011521 /nfs/dbraw/zinc/01/15/21/965011521.db2.gz KRWOYCBBCQFELT-UHFFFAOYSA-N -1 3 209.318 2.366 20 0 BEADHM Oc1cccc(CCNc2ccc(=S)[n-]n2)c1 ZINC001163698781 965515347 /nfs/dbraw/zinc/51/53/47/965515347.db2.gz RJAIJOPWCXFZHU-UHFFFAOYSA-N -1 3 247.323 2.126 20 0 BEADHM [O-]c1cc(Cl)cc(F)c1O[C@@H]1CCOC1 ZINC001234443607 965826848 /nfs/dbraw/zinc/82/68/48/965826848.db2.gz JFBLJTFCYXVHEP-SSDOTTSWSA-N -1 3 232.638 2.352 20 0 BEADHM [O-]c1c(Cl)cccc1NC1=CCOC1 ZINC001203390235 966627483 /nfs/dbraw/zinc/62/74/83/966627483.db2.gz RBLHXMIWYPNOPZ-UHFFFAOYSA-N -1 3 211.648 2.372 20 0 BEADHM c1cc(-c2ccccc2-c2nnn[n-]2)co1 ZINC001239688135 967077301 /nfs/dbraw/zinc/07/73/01/967077301.db2.gz NFKMTDQNDJQHGK-UHFFFAOYSA-N -1 3 212.212 2.127 20 0 BEADHM c1cc(-c2ccccc2-c2nn[n-]n2)co1 ZINC001239688135 967077313 /nfs/dbraw/zinc/07/73/13/967077313.db2.gz NFKMTDQNDJQHGK-UHFFFAOYSA-N -1 3 212.212 2.127 20 0 BEADHM Fc1cc(-c2ccoc2)cc(-c2nnn[n-]2)c1 ZINC001239691638 967092885 /nfs/dbraw/zinc/09/28/85/967092885.db2.gz IJIKEWYEUWMRHL-UHFFFAOYSA-N -1 3 230.202 2.266 20 0 BEADHM Fc1cc(-c2ccoc2)cc(-c2nn[n-]n2)c1 ZINC001239691638 967092901 /nfs/dbraw/zinc/09/29/01/967092901.db2.gz IJIKEWYEUWMRHL-UHFFFAOYSA-N -1 3 230.202 2.266 20 0 BEADHM CC(C)(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001249919724 967162492 /nfs/dbraw/zinc/16/24/92/967162492.db2.gz XHBLTYAEZPSEIX-UHFFFAOYSA-N -1 3 244.298 2.024 20 0 BEADHM CC(C)(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001249919724 967162494 /nfs/dbraw/zinc/16/24/94/967162494.db2.gz XHBLTYAEZPSEIX-UHFFFAOYSA-N -1 3 244.298 2.024 20 0 BEADHM COc1cc(C)c([N-]c2nonc2N)c(C)c1 ZINC001250033585 967288060 /nfs/dbraw/zinc/28/80/60/967288060.db2.gz OWFLKKMOBOZPGM-UHFFFAOYSA-N -1 3 234.259 2.021 20 0 BEADHM CCc1cc(Nc2cnc[n-]c2=O)ccc1OC ZINC001250175268 967476459 /nfs/dbraw/zinc/47/64/59/967476459.db2.gz QMAXUORLNBQCCM-UHFFFAOYSA-N -1 3 245.282 2.497 20 0 BEADHM C=CCCCNc1ccccc1-c1nnn[n-]1 ZINC000095128275 967538564 /nfs/dbraw/zinc/53/85/64/967538564.db2.gz JXBMLXVAUGDGTP-UHFFFAOYSA-N -1 3 229.287 2.245 20 0 BEADHM C=CCCCNc1ccccc1-c1nn[n-]n1 ZINC000095128275 967538603 /nfs/dbraw/zinc/53/86/03/967538603.db2.gz JXBMLXVAUGDGTP-UHFFFAOYSA-N -1 3 229.287 2.245 20 0 BEADHM COCCCc1c(F)cc([O-])cc1F ZINC001250299877 967640684 /nfs/dbraw/zinc/64/06/84/967640684.db2.gz FIMMOBWAILOTMG-UHFFFAOYSA-N -1 3 202.200 2.249 20 0 BEADHM [O-]c1cc(F)c(CCn2ccnc2)c(F)c1 ZINC001250316569 967685663 /nfs/dbraw/zinc/68/56/63/967685663.db2.gz NBVLAMONYBVXJZ-UHFFFAOYSA-N -1 3 224.210 2.110 20 0 BEADHM [O-]c1cc(CCn2ccnc2)ccc1Cl ZINC001250319523 967695183 /nfs/dbraw/zinc/69/51/83/967695183.db2.gz TUJQBSSFIXQHIR-UHFFFAOYSA-N -1 3 222.675 2.485 20 0 BEADHM Cc1cc(Cc2cccc(F)c2[O-])on1 ZINC001250364473 967775434 /nfs/dbraw/zinc/77/54/34/967775434.db2.gz MAGNUFKSRHSIMZ-UHFFFAOYSA-N -1 3 207.204 2.419 20 0 BEADHM [O-]c1ccc(F)c(Cc2cnccn2)c1F ZINC001250372068 967780477 /nfs/dbraw/zinc/78/04/77/967780477.db2.gz JJUGMBRIVJZISW-UHFFFAOYSA-N -1 3 222.194 2.051 20 0 BEADHM Cc1ncc(F)c(-c2ccc([O-])cc2F)n1 ZINC001206021433 967972959 /nfs/dbraw/zinc/97/29/59/967972959.db2.gz NIEUKDIUJOSITN-UHFFFAOYSA-N -1 3 222.194 2.436 20 0 BEADHM [O-]c1ccc(-c2ncc3cc[nH]c3n2)c(F)c1 ZINC001206021001 967975829 /nfs/dbraw/zinc/97/58/29/967975829.db2.gz BVLCSQVSENNIIK-UHFFFAOYSA-N -1 3 229.214 2.421 20 0 BEADHM COCc1nccnc1-c1ccc([O-])cc1F ZINC001206030509 967996219 /nfs/dbraw/zinc/99/62/19/967996219.db2.gz ZADNYHXGFFBESL-UHFFFAOYSA-N -1 3 234.230 2.135 20 0 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/nfs/dbraw/zinc/03/85/68/975038568.db2.gz ANHOTTDHOHRYQT-UHFFFAOYSA-N -1 3 244.674 2.376 20 0 BEADHM O=C1OCCC[C@@H]1Oc1cccc([O-])c1Cl ZINC001226708972 975039373 /nfs/dbraw/zinc/03/93/73/975039373.db2.gz JTJQVKOFCVEXSL-VIFPVBQESA-N -1 3 242.658 2.130 20 0 BEADHM C1=CC=C(N[C@@H]2CCc3ncsc3C2)[CH]1 ZINC001173139325 975041812 /nfs/dbraw/zinc/04/18/12/975041812.db2.gz GGIIZJCRDAZHLE-SNVBAGLBSA-N -1 3 217.317 2.248 20 0 BEADHM COc1cccc2c1C[C@@H](N[C@H]1[CH]CC=C1)CO2 ZINC001173160702 975049545 /nfs/dbraw/zinc/04/95/45/975049545.db2.gz MCFBGHKXDPWFKV-VXGBXAGGSA-N -1 3 244.314 2.121 20 0 BEADHM Cc1cnc(CNCCCCCC(=O)[O-])s1 ZINC001332405992 975098152 /nfs/dbraw/zinc/09/81/52/975098152.db2.gz DHACPOYFRUKAOB-UHFFFAOYSA-N -1 3 242.344 2.186 20 0 BEADHM CC[C@H]1CC[C@H]([NH2+]CCCCP(=O)([O-])[O-])C1 ZINC001173264394 975125706 /nfs/dbraw/zinc/12/57/06/975125706.db2.gz SFIPXUUQEZPDQI-QWRGUYRKSA-N -1 3 249.291 2.113 20 0 BEADHM CCC(C)(C)[C@H](NCc1cscn1)C(=O)[O-] ZINC001332476475 975157161 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/nfs/dbraw/zinc/83/00/24/975830024.db2.gz MLNLVXBGJDZEMX-CBAPKCEASA-N -1 3 243.690 2.387 20 0 BEADHM CC(=O)c1ccc(Nc2cnc(C)[n-]c2=O)cc1 ZINC001173895680 975882134 /nfs/dbraw/zinc/88/21/34/975882134.db2.gz BOEAIEKYJGOZHW-UHFFFAOYSA-N -1 3 243.266 2.437 20 0 BEADHM CC(C)c1nnc([N-]c2cccc(C(N)=O)c2)o1 ZINC001174056388 976207934 /nfs/dbraw/zinc/20/79/34/976207934.db2.gz JQYDPXIOWYOQCB-UHFFFAOYSA-N -1 3 246.270 2.036 20 0 BEADHM O=C([O-])[C@@H]1CC=C[C@@H](NCc2ccccc2F)C1 ZINC001334091256 976290635 /nfs/dbraw/zinc/29/06/35/976290635.db2.gz ZUSBJICAULHOCQ-ZYHUDNBSSA-N -1 3 249.285 2.335 20 0 BEADHM CON(C(=O)c1ccc(C)cc1[O-])C(C)C ZINC001334304795 976435653 /nfs/dbraw/zinc/43/56/53/976435653.db2.gz PSXDQNIGEORJKY-UHFFFAOYSA-N -1 3 223.272 2.113 20 0 BEADHM C[C@H](C1CC1)n1[n-]cc2c(=O)cccc-2c1=O ZINC001334366023 976472179 /nfs/dbraw/zinc/47/21/79/976472179.db2.gz WXJMKOGCXILJMY-MRVPVSSYSA-N -1 3 230.267 2.073 20 0 BEADHM C[C@H](C1CC1)n1ncc2c([O-])cccc2c1=O ZINC001334366023 976472185 /nfs/dbraw/zinc/47/21/85/976472185.db2.gz WXJMKOGCXILJMY-MRVPVSSYSA-N -1 3 230.267 2.073 20 0 BEADHM Cc1oc(CNCCc2ccoc2)cc1C(=O)[O-] ZINC000692683763 976533919 /nfs/dbraw/zinc/53/39/19/976533919.db2.gz BCVKCEPXHSTWIV-UHFFFAOYSA-N -1 3 249.266 2.212 20 0 BEADHM Cn1cc(Nc2cc(F)c([O-])c(F)c2)cn1 ZINC001174330529 976537757 /nfs/dbraw/zinc/53/77/57/976537757.db2.gz FPXNELZHRPLKLE-UHFFFAOYSA-N -1 3 225.198 2.148 20 0 BEADHM Cc1nc(Nc2cccc3n[nH]cc32)cc(=O)[n-]1 ZINC001174342695 976567917 /nfs/dbraw/zinc/56/79/17/976567917.db2.gz LLAWGZZLZTUEOH-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM Cc1c(Nc2ncc(Cl)cc2[O-])cnn1C ZINC001174388105 976636407 /nfs/dbraw/zinc/63/64/07/976636407.db2.gz KREISYMCJXTWEA-UHFFFAOYSA-N -1 3 238.678 2.226 20 0 BEADHM O=C([O-])c1ccc(CN[C@H]2C=CCCC2)o1 ZINC001334798580 976677660 /nfs/dbraw/zinc/67/76/60/976677660.db2.gz FXYCUPOOKYUDBD-VIFPVBQESA-N -1 3 221.256 2.176 20 0 BEADHM CCOc1ncccc1Nc1cnc(C)[n-]c1=O ZINC001174455731 976730533 /nfs/dbraw/zinc/73/05/33/976730533.db2.gz QMFBHTSKQAJXAL-UHFFFAOYSA-N -1 3 246.270 2.028 20 0 BEADHM CCOc1ncccc1[N-]c1nc(C)ns1 ZINC001174456653 976737575 /nfs/dbraw/zinc/73/75/75/976737575.db2.gz YDWSEMJUJUVWLB-UHFFFAOYSA-N -1 3 236.300 2.384 20 0 BEADHM O=C([O-])c1ccc(CN2CCCC3(CC3)C2)nc1 ZINC000695125735 976781804 /nfs/dbraw/zinc/78/18/04/976781804.db2.gz UHIRDBIWTPJBGR-UHFFFAOYSA-N -1 3 246.310 2.156 20 0 BEADHM C[C@@H]1CCN(c2cc(=O)[n-]cn2)CC12CCC2 ZINC001334965287 976810044 /nfs/dbraw/zinc/81/00/44/976810044.db2.gz NAJDVOUBZYUEPZ-SNVBAGLBSA-N -1 3 233.315 2.199 20 0 BEADHM Cc1nc(O[C@@H](C)C(F)(F)F)c(C)c(=O)[n-]1 ZINC001229684996 976940942 /nfs/dbraw/zinc/94/09/42/976940942.db2.gz IDJNEAAIMCNXJX-YFKPBYRVSA-N -1 3 236.193 2.129 20 0 BEADHM Cc1nc(O[C@@H](C)c2cccnc2)c(C)c(=O)[n-]1 ZINC001229683655 976941289 /nfs/dbraw/zinc/94/12/89/976941289.db2.gz JEBKLQGBHJTNOI-VIFPVBQESA-N -1 3 245.282 2.334 20 0 BEADHM Cc1nc(O[C@H](C)c2cccnc2)c(C)c(=O)[n-]1 ZINC001229683654 976944058 /nfs/dbraw/zinc/94/40/58/976944058.db2.gz JEBKLQGBHJTNOI-SECBINFHSA-N -1 3 245.282 2.334 20 0 BEADHM Cc1nc(OC(C2CC2)C2CC2)c(C)c(=O)[n-]1 ZINC001229685304 976944340 /nfs/dbraw/zinc/94/43/40/976944340.db2.gz KITXFNTUCDCDHV-UHFFFAOYSA-N -1 3 234.299 2.366 20 0 BEADHM CCC(CC)Oc1nc(C)[n-]c(=O)c1C ZINC001229685103 976945401 /nfs/dbraw/zinc/94/54/01/976945401.db2.gz KAYJXVXKHUUBNK-UHFFFAOYSA-N -1 3 210.277 2.366 20 0 BEADHM C=CNc1ncc(Br)cc1[O-] ZINC001174778430 976991049 /nfs/dbraw/zinc/99/10/49/976991049.db2.gz LSBPJYSJRVZPSQ-UHFFFAOYSA-N -1 3 215.050 2.105 20 0 BEADHM CC(C)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229950190 977032717 /nfs/dbraw/zinc/03/27/17/977032717.db2.gz IGFCXYHUKZKTBB-SECBINFHSA-N -1 3 232.287 2.290 20 0 BEADHM CC(C)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229950190 977032726 /nfs/dbraw/zinc/03/27/26/977032726.db2.gz IGFCXYHUKZKTBB-SECBINFHSA-N -1 3 232.287 2.290 20 0 BEADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001229959257 977040928 /nfs/dbraw/zinc/04/09/28/977040928.db2.gz ZZUIGTSKCHHWLS-SECBINFHSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001229959257 977040941 /nfs/dbraw/zinc/04/09/41/977040941.db2.gz ZZUIGTSKCHHWLS-SECBINFHSA-N -1 3 244.298 2.434 20 0 BEADHM O=c1[n-]cncc1Nc1ccc(F)c(F)c1F ZINC001174967039 977191116 /nfs/dbraw/zinc/19/11/16/977191116.db2.gz GQSAGLHDVDVMMI-UHFFFAOYSA-N -1 3 241.172 2.343 20 0 BEADHM COc1cccc(F)c1Nc1cnc[n-]c1=O ZINC001174990832 977197110 /nfs/dbraw/zinc/19/71/10/977197110.db2.gz JFVLRZOOVJCGRN-UHFFFAOYSA-N -1 3 235.218 2.074 20 0 BEADHM CCOc1ccc([N-]c2nnco2)cc1F ZINC001175065896 977225394 /nfs/dbraw/zinc/22/53/94/977225394.db2.gz FWJCFOKZHZFOMX-UHFFFAOYSA-N -1 3 223.207 2.351 20 0 BEADHM CCOc1cc(Nc2cnc[n-]c2=O)ccc1F ZINC001175049577 977245717 /nfs/dbraw/zinc/24/57/17/977245717.db2.gz FOAIOEQOYFJQMN-UHFFFAOYSA-N -1 3 249.245 2.464 20 0 BEADHM [O-]c1ccc(F)c(Nc2cccnn2)c1F ZINC001175261879 977360036 /nfs/dbraw/zinc/36/00/36/977360036.db2.gz UQRFHZOJXONTJA-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM CN(C)c1ccc(Nc2ncc(F)cc2[O-])cn1 ZINC001175342430 977366953 /nfs/dbraw/zinc/36/69/53/977366953.db2.gz UUDQBJUQCYQULX-UHFFFAOYSA-N -1 3 248.261 2.131 20 0 BEADHM CC(C)O[N-]C(=O)C1(Cc2ccc(O)cc2)CC1 ZINC001335979709 977398458 /nfs/dbraw/zinc/39/84/58/977398458.db2.gz QYCDUEHKMQFKHP-UHFFFAOYSA-N -1 3 249.310 2.171 20 0 BEADHM COc1cc(Nc2cc(=O)[n-]c(C)n2)ccc1F ZINC001175395243 977411650 /nfs/dbraw/zinc/41/16/50/977411650.db2.gz VFGUJQNKFIZKGC-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM Cc1c(N)ccnc1-c1csc(C(=O)[O-])c1 ZINC001206249741 977445639 /nfs/dbraw/zinc/44/56/39/977445639.db2.gz CFLXANZZILFIEJ-UHFFFAOYSA-N -1 3 234.280 2.399 20 0 BEADHM CCC[C@@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117524 977483426 /nfs/dbraw/zinc/48/34/26/977483426.db2.gz CISBMHIBOGYZEE-SECBINFHSA-N -1 3 232.287 2.434 20 0 BEADHM CCC[C@@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231117524 977483440 /nfs/dbraw/zinc/48/34/40/977483440.db2.gz CISBMHIBOGYZEE-SECBINFHSA-N -1 3 232.287 2.434 20 0 BEADHM Cc1nonc1[N-]c1cccc2nn(C)cc21 ZINC001175588361 977513931 /nfs/dbraw/zinc/51/39/31/977513931.db2.gz FGHYELXIULJLLB-UHFFFAOYSA-N -1 3 229.243 2.008 20 0 BEADHM Cc1cc(CN2CC[C@H](CF)C2)oc1C(=O)[O-] ZINC000711489945 977550996 /nfs/dbraw/zinc/55/09/96/977550996.db2.gz LHNMTXGXZOMPQC-SECBINFHSA-N -1 3 241.262 2.078 20 0 BEADHM CN1CCC=C(Nc2ccc(F)c(F)c2[O-])C1 ZINC001175577520 977585739 /nfs/dbraw/zinc/58/57/39/977585739.db2.gz BGZNYUSOZUOFKC-UHFFFAOYSA-N -1 3 240.253 2.302 20 0 BEADHM COc1nonc1[N-]c1ccc2[nH]nc(C)c2c1 ZINC001175695343 977630472 /nfs/dbraw/zinc/63/04/72/977630472.db2.gz FTFSVUJJBHFYRP-UHFFFAOYSA-N -1 3 245.242 2.007 20 0 BEADHM COc1nonc1[N-]c1ccc2n[nH]c(C)c2c1 ZINC001175695343 977630478 /nfs/dbraw/zinc/63/04/78/977630478.db2.gz FTFSVUJJBHFYRP-UHFFFAOYSA-N -1 3 245.242 2.007 20 0 BEADHM CC[C@@H](F)C(=O)Nc1cccc([O-])c1F ZINC001336415358 977671718 /nfs/dbraw/zinc/67/17/18/977671718.db2.gz AHPBOMWKHQSOKO-ZCFIWIBFSA-N -1 3 215.199 2.218 20 0 BEADHM CCOc1cc([N-]c2cscn2)no1 ZINC001175940917 977803884 /nfs/dbraw/zinc/80/38/84/977803884.db2.gz NJCWPXJDQUQPTD-UHFFFAOYSA-N -1 3 211.246 2.273 20 0 BEADHM c1nc([N-]c2noc3cnccc23)cs1 ZINC001175940970 977804643 /nfs/dbraw/zinc/80/46/43/977804643.db2.gz OTJMMMVTJVCWKN-UHFFFAOYSA-N -1 3 218.241 2.423 20 0 BEADHM CCc1nnc([N-]c2cnn(C3CC3)c2)s1 ZINC001175957742 977822861 /nfs/dbraw/zinc/82/28/61/977822861.db2.gz ARKYJUZNTASYAJ-UHFFFAOYSA-N -1 3 235.316 2.376 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@H]2CCC[C@H](F)C2)n1 ZINC001336681223 977850587 /nfs/dbraw/zinc/85/05/87/977850587.db2.gz YMUKUHOCIWQNDR-IUCAKERBSA-N -1 3 225.267 2.183 20 0 BEADHM O=C([O-])CN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC001595072594 977945317 /nfs/dbraw/zinc/94/53/17/977945317.db2.gz ZKGVTTULMLAIOB-LBPRGKRZSA-N -1 3 235.283 2.281 20 0 BEADHM O=C([O-])CN1CCC[C@H]1c1ccc(F)cc1F ZINC001595091696 977949854 /nfs/dbraw/zinc/94/98/54/977949854.db2.gz DECCZIPHGNURGI-NSHDSACASA-N -1 3 241.237 2.186 20 0 BEADHM CC(C)(C)[C@H]1CCN1C(=O)c1ccc(O)cc1[O-] ZINC001336863995 978010245 /nfs/dbraw/zinc/01/02/45/978010245.db2.gz KHRKCZAJFRVYDQ-GFCCVEGCSA-N -1 3 249.310 2.358 20 0 BEADHM Cc1ncc(Nc2ncc(Cl)cc2[O-])cn1 ZINC001176394501 978067608 /nfs/dbraw/zinc/06/76/08/978067608.db2.gz ZKWWEWZRMVVVLX-UHFFFAOYSA-N -1 3 236.662 2.283 20 0 BEADHM Cc1ccc(CN(C)c2nc(C)cc(=O)[n-]2)o1 ZINC001336959814 978083743 /nfs/dbraw/zinc/08/37/43/978083743.db2.gz WAYHBWUHMONWQU-UHFFFAOYSA-N -1 3 233.271 2.028 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCC3(CCCC3)C2)n1 ZINC001337050071 978143658 /nfs/dbraw/zinc/14/36/58/978143658.db2.gz VLMGHOYFCGMSMN-UHFFFAOYSA-N -1 3 233.315 2.261 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2CCCC(F)(F)C2)n1 ZINC001337074519 978154920 /nfs/dbraw/zinc/15/49/20/978154920.db2.gz VXRYYTBKQDUSFF-MRVPVSSYSA-N -1 3 243.257 2.480 20 0 BEADHM [O-]c1c(F)cc(F)c(Nc2ccncc2)c1F ZINC001176662382 978156847 /nfs/dbraw/zinc/15/68/47/978156847.db2.gz NMQZCFZCZUGXJS-UHFFFAOYSA-N -1 3 240.184 2.370 20 0 BEADHM CC[C@@H](F)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001337228662 978232732 /nfs/dbraw/zinc/23/27/32/978232732.db2.gz OATHDVQUBSZMEN-SECBINFHSA-N -1 3 239.246 2.281 20 0 BEADHM Cc1ccnc(C(=O)[N-]c2cnoc2C(C)C)n1 ZINC001337358185 978307659 /nfs/dbraw/zinc/30/76/59/978307659.db2.gz UMFDIOBPZZFZLG-UHFFFAOYSA-N -1 3 246.270 2.149 20 0 BEADHM CCN(CCOC)Cc1cc([O-])c(F)c(F)c1 ZINC001232969494 978369212 /nfs/dbraw/zinc/36/92/12/978369212.db2.gz QOICYEAFWZVLGB-UHFFFAOYSA-N -1 3 245.269 2.139 20 0 BEADHM [O-]c1cccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1F ZINC001233051251 978439075 /nfs/dbraw/zinc/43/90/75/978439075.db2.gz LANVCQRXHSODJH-DCAQKATOSA-N -1 3 239.265 2.321 20 0 BEADHM [O-]c1cccc(CN2CCC(F)(F)C2)c1F ZINC001233049965 978439305 /nfs/dbraw/zinc/43/93/05/978439305.db2.gz JWDRNWNJMPBAGA-UHFFFAOYSA-N -1 3 231.217 2.372 20 0 BEADHM CC[C@H](CSC)Nc1nc(C)cc(=O)[n-]1 ZINC001337818658 978510926 /nfs/dbraw/zinc/51/09/26/978510926.db2.gz CYZAIPJQUDNEDD-MRVPVSSYSA-N -1 3 227.333 2.044 20 0 BEADHM [S-]c1ccc(CN2CC[C@]23CCOC3)cc1 ZINC001233262545 978521567 /nfs/dbraw/zinc/52/15/67/978521567.db2.gz LBFUGDHGBNWLTO-CYBMUJFWSA-N -1 3 235.352 2.340 20 0 BEADHM Cc1cc(=O)[n-]c(N2CC(C)(C)C[C@@H]2C)n1 ZINC001337910776 978563197 /nfs/dbraw/zinc/56/31/97/978563197.db2.gz UNXJJNYEBOZYCH-VIFPVBQESA-N -1 3 221.304 2.115 20 0 BEADHM Cc1noc([N-][C@H]2CCCc3cccnc32)n1 ZINC001337992351 978583299 /nfs/dbraw/zinc/58/32/99/978583299.db2.gz LDZUBVBKTZLHGG-JTQLQIEISA-N -1 3 230.271 2.263 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@H](C)c2cncs2)n1 ZINC001338114885 978615952 /nfs/dbraw/zinc/61/59/52/978615952.db2.gz HXYAHMFURDCXMY-SSDOTTSWSA-N -1 3 236.300 2.120 20 0 BEADHM Cc1cc([C@H](C)N2CC[C@@H]3C[C@@H]32)oc1C(=O)[O-] ZINC001600149836 978671087 /nfs/dbraw/zinc/67/10/87/978671087.db2.gz KQKRITYEKLDAPJ-AEJSXWLSSA-N -1 3 235.283 2.441 20 0 BEADHM CC[C@H](COC)Oc1ccc2occ([O-])c2c1 ZINC001233678041 978671117 /nfs/dbraw/zinc/67/11/17/978671117.db2.gz RFLCPSBHEINFAX-SECBINFHSA-N -1 3 236.267 2.066 20 0 BEADHM CO[C@@H](C)CCOc1ccc2occ([O-])c2c1 ZINC001233679079 978671408 /nfs/dbraw/zinc/67/14/08/978671408.db2.gz YYVUAUMZVVJTEJ-VIFPVBQESA-N -1 3 236.267 2.066 20 0 BEADHM CC[C@@H](COC)Oc1ccc2occ([O-])c2c1 ZINC001233678042 978671911 /nfs/dbraw/zinc/67/19/11/978671911.db2.gz RFLCPSBHEINFAX-VIFPVBQESA-N -1 3 236.267 2.066 20 0 BEADHM COCCc1c(Cl)ccc([O-])c1F ZINC001249937691 978714833 /nfs/dbraw/zinc/71/48/33/978714833.db2.gz BPEXRYJDNCDXCO-UHFFFAOYSA-N -1 3 204.628 2.374 20 0 BEADHM [O-]c1cccc(O[C@@H]2COc3cnccc32)c1F ZINC001233869985 978719274 /nfs/dbraw/zinc/71/92/74/978719274.db2.gz QPESTYNCPDVBJN-GFCCVEGCSA-N -1 3 247.225 2.439 20 0 BEADHM [O-]c1cccc(OC2CC3(COC3)C2)c1F ZINC001233870413 978721348 /nfs/dbraw/zinc/72/13/48/978721348.db2.gz CRABZCYDAOUZSW-UHFFFAOYSA-N -1 3 224.231 2.089 20 0 BEADHM [O-]c1ccc(Cl)c(OC[C@H]2CCO2)c1F ZINC001234264280 978805919 /nfs/dbraw/zinc/80/59/19/978805919.db2.gz PLQAJRDWBNOMKL-ZCFIWIBFSA-N -1 3 232.638 2.352 20 0 BEADHM CCN1CC(Oc2c(Cl)ccc([O-])c2F)C1 ZINC001234265409 978807047 /nfs/dbraw/zinc/80/70/47/978807047.db2.gz VOPBHTYPLGVWPX-UHFFFAOYSA-N -1 3 245.681 2.268 20 0 BEADHM C[C@@H](CC(=O)Nc1cncc([O-])c1)C(F)(F)F ZINC001180081404 978815586 /nfs/dbraw/zinc/81/55/86/978815586.db2.gz JQAHODYDFFLBSS-LURJTMIESA-N -1 3 248.204 2.314 20 0 BEADHM O=C([O-])[C@@H](CF)NCc1ccccc1C1CC1 ZINC001601648654 978824578 /nfs/dbraw/zinc/82/45/78/978824578.db2.gz FKIXCWCSQQPECA-GFCCVEGCSA-N -1 3 237.274 2.076 20 0 BEADHM CCN1CC(Oc2c([O-])cc(Cl)cc2F)C1 ZINC001234443280 978836186 /nfs/dbraw/zinc/83/61/86/978836186.db2.gz GMNZSMSFFOKGTK-UHFFFAOYSA-N -1 3 245.681 2.268 20 0 BEADHM O=C(OCCOCC1CC1)c1cc2occc2[n-]1 ZINC001339359268 978842978 /nfs/dbraw/zinc/84/29/78/978842978.db2.gz SINKMRGRLQKZNJ-UHFFFAOYSA-N -1 3 249.266 2.344 20 0 BEADHM O=c1[n-]cnc(OC2CC2)c1-c1ccccc1 ZINC001234691895 978898396 /nfs/dbraw/zinc/89/83/96/978898396.db2.gz KJRCEEYQQNDMBC-UHFFFAOYSA-N -1 3 228.251 2.390 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCCc3occc3C2)n1 ZINC001339723141 978902226 /nfs/dbraw/zinc/90/22/26/978902226.db2.gz WEXVAFVULMIVJP-UHFFFAOYSA-N -1 3 245.282 2.036 20 0 BEADHM CC[C@@H](Nc1nc(C)cc(=O)[n-]1)C1CC1 ZINC001339774815 978909357 /nfs/dbraw/zinc/90/93/57/978909357.db2.gz URUKSJBLEVXULU-SECBINFHSA-N -1 3 207.277 2.091 20 0 BEADHM CCOC[C@@H](C)Oc1nc2ccsc2[n-]1 ZINC001234846454 978910746 /nfs/dbraw/zinc/91/07/46/978910746.db2.gz CEEVUROMRGMAPD-SSDOTTSWSA-N -1 3 226.301 2.428 20 0 BEADHM CCOC[C@@H](C)Oc1nc2sccc2[n-]1 ZINC001234846454 978910754 /nfs/dbraw/zinc/91/07/54/978910754.db2.gz CEEVUROMRGMAPD-SSDOTTSWSA-N -1 3 226.301 2.428 20 0 BEADHM c1cc2nc(O[C@H]3CCCOC3)[n-]c2s1 ZINC001234850973 978916787 /nfs/dbraw/zinc/91/67/87/978916787.db2.gz CUUPUOCIHWLUTA-ZETCQYMHSA-N -1 3 224.285 2.182 20 0 BEADHM c1cc2[n-]c(O[C@H]3CCCOC3)nc2s1 ZINC001234850973 978916794 /nfs/dbraw/zinc/91/67/94/978916794.db2.gz CUUPUOCIHWLUTA-ZETCQYMHSA-N -1 3 224.285 2.182 20 0 BEADHM C[C@H]1COCC[C@H]1Oc1nc2ccsc2[n-]1 ZINC001234854333 978919453 /nfs/dbraw/zinc/91/94/53/978919453.db2.gz KMGYIVLJBHMWBS-IONNQARKSA-N -1 3 238.312 2.428 20 0 BEADHM C[C@H]1COCC[C@H]1Oc1nc2sccc2[n-]1 ZINC001234854333 978919454 /nfs/dbraw/zinc/91/94/54/978919454.db2.gz KMGYIVLJBHMWBS-IONNQARKSA-N -1 3 238.312 2.428 20 0 BEADHM CC(=O)C[C@H](C)C(=O)Nc1ccc(F)c([O-])c1 ZINC001181256839 979037605 /nfs/dbraw/zinc/03/76/05/979037605.db2.gz NMOOHCWWQAGSIX-ZETCQYMHSA-N -1 3 239.246 2.085 20 0 BEADHM CCO[N-]C(=O)C[C@@H]1CCNc2ccccc21 ZINC001340772879 979104946 /nfs/dbraw/zinc/10/49/46/979104946.db2.gz FFMFLECECWVWQJ-JTQLQIEISA-N -1 3 234.299 2.044 20 0 BEADHM O=C([O-])c1ccc(CN[C@@H]2CC23CC3)c(F)c1 ZINC001602345616 979108392 /nfs/dbraw/zinc/10/83/92/979108392.db2.gz MDOIFMMKMIBHTN-LLVKDONJSA-N -1 3 235.258 2.166 20 0 BEADHM CC(=O)NCCc1cc(C)c([O-])c(Cl)c1 ZINC001250016185 979261469 /nfs/dbraw/zinc/26/14/69/979261469.db2.gz GEATUDYAVFLZHW-UHFFFAOYSA-N -1 3 227.691 2.033 20 0 BEADHM CCC(CC)(CC(=O)[O-])NCc1coc(C)n1 ZINC001595057130 979296537 /nfs/dbraw/zinc/29/65/37/979296537.db2.gz VFCHXVUNQWHXHE-UHFFFAOYSA-N -1 3 240.303 2.106 20 0 BEADHM CCC(CC)Cn1cc(C)c(-c2nnn[n-]2)c1 ZINC001604025163 979560384 /nfs/dbraw/zinc/56/03/84/979560384.db2.gz AKLQDFRTFIQSLW-UHFFFAOYSA-N -1 3 233.319 2.413 20 0 BEADHM CCC(CC)Cn1cc(C)c(-c2nn[n-]n2)c1 ZINC001604025163 979560389 /nfs/dbraw/zinc/56/03/89/979560389.db2.gz AKLQDFRTFIQSLW-UHFFFAOYSA-N -1 3 233.319 2.413 20 0 BEADHM c1cc(-c2nnn[n-]2)cc(C2=CCSCC2)c1 ZINC001236368416 979565736 /nfs/dbraw/zinc/56/57/36/979565736.db2.gz IRQOFUKIXFXUMM-UHFFFAOYSA-N -1 3 244.323 2.387 20 0 BEADHM c1cc(-c2nn[n-]n2)cc(C2=CCSCC2)c1 ZINC001236368416 979565743 /nfs/dbraw/zinc/56/57/43/979565743.db2.gz IRQOFUKIXFXUMM-UHFFFAOYSA-N -1 3 244.323 2.387 20 0 BEADHM Cc1ccc(F)c(-c2cnccc2C(N)=O)c1[O-] ZINC001236405627 979582308 /nfs/dbraw/zinc/58/23/08/979582308.db2.gz YTCUHIFOKACGEV-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM C[C@@H](NCC1(CC(=O)[O-])CC1)c1cscn1 ZINC001604339431 979620790 /nfs/dbraw/zinc/62/07/90/979620790.db2.gz YDNIGQZMQGMGOD-MRVPVSSYSA-N -1 3 240.328 2.049 20 0 BEADHM [O-]c1cc(CN2CC[C@@H](F)C2)ccc1F ZINC001236704686 979693491 /nfs/dbraw/zinc/69/34/91/979693491.db2.gz YIXMDVQFJLQIKI-SECBINFHSA-N -1 3 213.227 2.075 20 0 BEADHM C[C@H]1CC(=O)CCN1Cc1ccc(F)c([O-])c1 ZINC001236701870 979697750 /nfs/dbraw/zinc/69/77/50/979697750.db2.gz HQIGDTOLXPJSLE-VIFPVBQESA-N -1 3 237.274 2.085 20 0 BEADHM C[C@@H]1CN(Cc2ccc(F)c([O-])c2)CCCO1 ZINC001236703276 979699499 /nfs/dbraw/zinc/69/94/99/979699499.db2.gz MQBKXDZGIUVTKC-SNVBAGLBSA-N -1 3 239.290 2.142 20 0 BEADHM [O-]c1cc(CN2CC3(CSC3)C2)ccc1F ZINC001236708123 979703939 /nfs/dbraw/zinc/70/39/39/979703939.db2.gz NPHZLZLTTSDYLA-UHFFFAOYSA-N -1 3 239.315 2.080 20 0 BEADHM [O-]c1cc(CN2CCC[C@@H](F)C2)ccc1F ZINC001236706004 979704163 /nfs/dbraw/zinc/70/41/63/979704163.db2.gz QMZFZLPMKUQABY-SNVBAGLBSA-N -1 3 227.254 2.465 20 0 BEADHM CC1(C)COCCN1Cc1ccc(F)c([O-])c1 ZINC001236705366 979705398 /nfs/dbraw/zinc/70/53/98/979705398.db2.gz LWZPAFLUTSDDDG-UHFFFAOYSA-N -1 3 239.290 2.142 20 0 BEADHM O=c1[n-]c(Cl)c(CN2CCCC2)s1 ZINC001237155423 979824381 /nfs/dbraw/zinc/82/43/81/979824381.db2.gz UKDRSNWQXAUJQZ-UHFFFAOYSA-N -1 3 218.709 2.098 20 0 BEADHM [S-]c1ccoc1CN1Cc2cccnc2C1 ZINC001237180677 979826854 /nfs/dbraw/zinc/82/68/54/979826854.db2.gz DVACVGIPSWQIJZ-UHFFFAOYSA-N -1 3 232.308 2.479 20 0 BEADHM C[C@@H]1CC(=O)CCN1Cc1cc([O-])cc(F)c1 ZINC001237276791 979858172 /nfs/dbraw/zinc/85/81/72/979858172.db2.gz IJWWSTSGRQCKRR-SECBINFHSA-N -1 3 237.274 2.085 20 0 BEADHM [O-]c1cc(F)cc(CN2Cc3ccncc3C2)c1 ZINC001237279976 979858419 /nfs/dbraw/zinc/85/84/19/979858419.db2.gz YWDQFHSFPORRLB-UHFFFAOYSA-N -1 3 244.269 2.442 20 0 BEADHM Cc1cn(C[C@@H]2C[C@H]3C[C@H]3C2)cc1-c1nnn[n-]1 ZINC001605969241 979937637 /nfs/dbraw/zinc/93/76/37/979937637.db2.gz HVRVLTXDDLROTD-JGPRNRPPSA-N -1 3 243.314 2.023 20 0 BEADHM Cc1cn(C[C@@H]2C[C@H]3C[C@H]3C2)cc1-c1nn[n-]n1 ZINC001605969241 979937646 /nfs/dbraw/zinc/93/76/46/979937646.db2.gz HVRVLTXDDLROTD-JGPRNRPPSA-N -1 3 243.314 2.023 20 0 BEADHM CN(CCCF)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001606121029 979958415 /nfs/dbraw/zinc/95/84/15/979958415.db2.gz LZOBXVKETLUYER-AATRIKPKSA-N -1 3 241.262 2.169 20 0 BEADHM c1cc(-c2nn[n-]n2)ccc1N[C@H]1CC12CCC2 ZINC001607115396 980079815 /nfs/dbraw/zinc/07/98/15/980079815.db2.gz OWYPGQVLRLMYOH-NSHDSACASA-N -1 3 241.298 2.221 20 0 BEADHM Cc1cc(CN2C3CCC2CC3)[nH]c1C(=O)[O-] ZINC001607639737 980119841 /nfs/dbraw/zinc/11/98/41/980119841.db2.gz GDLZBIWFWAHIQN-UHFFFAOYSA-N -1 3 234.299 2.148 20 0 BEADHM Cn1c(CNCc2ccccc2)ccc1C(=O)[O-] ZINC001608088146 980158349 /nfs/dbraw/zinc/15/83/49/980158349.db2.gz MOQCCOIXDZTUCK-UHFFFAOYSA-N -1 3 244.294 2.013 20 0 BEADHM Cc1ccc([O-])c(NC(=O)Nc2cccnc2)n1 ZINC001185656347 980263058 /nfs/dbraw/zinc/26/30/58/980263058.db2.gz IPYPFFLXAPJCTM-UHFFFAOYSA-N -1 3 244.254 2.135 20 0 BEADHM Cc1ccc(-c2ccc(=S)[n-]n2)c(C)n1 ZINC001239452119 980581890 /nfs/dbraw/zinc/58/18/90/980581890.db2.gz WFIUPRKCFOBEOT-UHFFFAOYSA-N -1 3 217.297 2.444 20 0 BEADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cccnc1 ZINC001239569397 980756400 /nfs/dbraw/zinc/75/64/00/980756400.db2.gz QQCGQKMVTSEWRP-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cccnc1 ZINC001239569397 980756406 /nfs/dbraw/zinc/75/64/06/980756406.db2.gz QQCGQKMVTSEWRP-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM CC(C)(C)c1cccc(NC(=O)c2cnn[n-]2)c1 ZINC001189348393 980777262 /nfs/dbraw/zinc/77/72/62/980777262.db2.gz KLPIPWOWKJYFGU-UHFFFAOYSA-N -1 3 244.298 2.355 20 0 BEADHM CC(C)(C)c1cccc(NC(=O)c2c[n-]nn2)c1 ZINC001189348393 980777263 /nfs/dbraw/zinc/77/72/63/980777263.db2.gz KLPIPWOWKJYFGU-UHFFFAOYSA-N -1 3 244.298 2.355 20 0 BEADHM CC(C)(C)c1cccc(NC(=O)c2cn[n-]n2)c1 ZINC001189348393 980777267 /nfs/dbraw/zinc/77/72/67/980777267.db2.gz KLPIPWOWKJYFGU-UHFFFAOYSA-N -1 3 244.298 2.355 20 0 BEADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccncc1 ZINC001239611267 980807018 /nfs/dbraw/zinc/80/70/18/980807018.db2.gz QEHCJWHBSUXWPX-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccncc1 ZINC001239611267 980807020 /nfs/dbraw/zinc/80/70/20/980807020.db2.gz QEHCJWHBSUXWPX-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM CCc1nc(C(=O)Nc2ncccc2[O-])cs1 ZINC001190031295 980842088 /nfs/dbraw/zinc/84/20/88/980842088.db2.gz CJTNAKJJYWRYNE-UHFFFAOYSA-N -1 3 249.295 2.058 20 0 BEADHM Cc1cc(O)ccc1CC(=O)[N-]OC1CCCC1 ZINC001346509601 980855500 /nfs/dbraw/zinc/85/55/00/980855500.db2.gz OQVAGMYDRQWCNY-UHFFFAOYSA-N -1 3 249.310 2.234 20 0 BEADHM COc1ccc(-c2nnn[n-]2)cc1C1=CCCC1 ZINC001239788493 980923271 /nfs/dbraw/zinc/92/32/71/980923271.db2.gz DOLYHYFLJTXFJS-UHFFFAOYSA-N -1 3 242.282 2.443 20 0 BEADHM COc1ccc(-c2nn[n-]n2)cc1C1=CCCC1 ZINC001239788493 980923276 /nfs/dbraw/zinc/92/32/76/980923276.db2.gz DOLYHYFLJTXFJS-UHFFFAOYSA-N -1 3 242.282 2.443 20 0 BEADHM c1nocc1[N-]c1snc2cccnc21 ZINC001203236554 980991444 /nfs/dbraw/zinc/99/14/44/980991444.db2.gz BUHRJWCLGUXXII-UHFFFAOYSA-N -1 3 218.241 2.423 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CCCSC1 ZINC001347365254 981060294 /nfs/dbraw/zinc/06/02/94/981060294.db2.gz WLCNABVGNVQACK-UHFFFAOYSA-N -1 3 237.324 2.237 20 0 BEADHM FC(F)(F)c1cc(-c2cn[nH]c2)nc(=S)[n-]1 ZINC001240240678 981211999 /nfs/dbraw/zinc/21/19/99/981211999.db2.gz SPFWVZVFKSVKIP-UHFFFAOYSA-N -1 3 246.217 2.174 20 0 BEADHM Cc1sccc1C(=O)NCc1ncccc1[O-] ZINC001193386307 981312071 /nfs/dbraw/zinc/31/20/71/981312071.db2.gz JHSHTINEAFPJCX-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM CC(C)(O)c1cncc(-c2ccc(=S)[n-]n2)c1 ZINC001240666235 981576221 /nfs/dbraw/zinc/57/62/21/981576221.db2.gz COMAWIQAPTWYNW-UHFFFAOYSA-N -1 3 247.323 2.055 20 0 BEADHM CC(C)(C)COC(=O)NCc1ncccc1[O-] ZINC001194406509 981805240 /nfs/dbraw/zinc/80/52/40/981805240.db2.gz ZIBKYESOCSBLDK-UHFFFAOYSA-N -1 3 238.287 2.060 20 0 BEADHM [O-]c1ccc(-c2cnc3[nH]cnc3c2)cc1F ZINC001240785496 981825682 /nfs/dbraw/zinc/82/56/82/981825682.db2.gz BUDKUSFFDLDCRR-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM O=C1NCc2cccc(-c3ccc([O-])c(F)c3)c21 ZINC001240785487 981825947 /nfs/dbraw/zinc/82/59/47/981825947.db2.gz BFAZRTQCJWMACE-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM Cc1c(C(N)=O)cncc1-c1ccc([O-])c(F)c1 ZINC001240786509 981827988 /nfs/dbraw/zinc/82/79/88/981827988.db2.gz LAXAJWGZMRIOES-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM NC(=O)c1cc(-c2ccc([O-])c(F)c2)ccc1F ZINC001240786362 981828625 /nfs/dbraw/zinc/82/86/25/981828625.db2.gz INSSUBJSPXMAOW-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM [O-]c1ccc(-c2ccn3ncnc3c2)cc1F ZINC001240786971 981831526 /nfs/dbraw/zinc/83/15/26/981831526.db2.gz DVSNXAFRESYIOE-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM [O-]c1ccc(-c2cc(F)cn3ncnc23)cc1F ZINC001240788541 981835561 /nfs/dbraw/zinc/83/55/61/981835561.db2.gz HQJZAFADFYQSJO-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM CC[C@@H]1CCC[C@H]1C[N-]C(=O)C(F)(F)F ZINC001350020309 981848232 /nfs/dbraw/zinc/84/82/32/981848232.db2.gz YQKMFQISOFTFEG-SFYZADRCSA-N -1 3 223.238 2.491 20 0 BEADHM CC[C@@H]1CCC[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001350020306 981848823 /nfs/dbraw/zinc/84/88/23/981848823.db2.gz YQKMFQISOFTFEG-HTQZYQBOSA-N -1 3 223.238 2.491 20 0 BEADHM [O-]c1ccccc1-c1cnc2cc[nH]c2n1 ZINC001241001813 982085242 /nfs/dbraw/zinc/08/52/42/982085242.db2.gz IHZWBABGFSJRSS-UHFFFAOYSA-N -1 3 211.224 2.331 20 0 BEADHM [O-]c1ccccc1-c1ncnc2[nH]ccc21 ZINC001241001591 982086432 /nfs/dbraw/zinc/08/64/32/982086432.db2.gz ALVPHRCMGAOXCC-UHFFFAOYSA-N -1 3 211.224 2.282 20 0 BEADHM [O-]c1ccccc1-c1ncnc2cnccc21 ZINC001241002216 982088083 /nfs/dbraw/zinc/08/80/83/982088083.db2.gz WYHUEPUINKOVBE-UHFFFAOYSA-N -1 3 223.235 2.397 20 0 BEADHM [O-]c1ccccc1-c1cc(N2CCCC2)ncn1 ZINC001241008200 982095749 /nfs/dbraw/zinc/09/57/49/982095749.db2.gz NYUFJYRHYCHZIF-UHFFFAOYSA-N -1 3 241.294 2.449 20 0 BEADHM Cc1noc2ncnc(-c3ccccc3[O-])c12 ZINC001241009267 982100333 /nfs/dbraw/zinc/10/03/33/982100333.db2.gz OHUIEAVUPBJDEQ-UHFFFAOYSA-N -1 3 227.223 2.299 20 0 BEADHM Cc1ccc(-c2nnccc2C)c([O-])c1 ZINC001241028720 982123483 /nfs/dbraw/zinc/12/34/83/982123483.db2.gz RWMNUBAUHGYAIR-UHFFFAOYSA-N -1 3 200.241 2.466 20 0 BEADHM Cc1ccc(-c2cncc(N(C)C)n2)c([O-])c1 ZINC001241028427 982124140 /nfs/dbraw/zinc/12/41/40/982124140.db2.gz NLOPPMYYEFGPNJ-UHFFFAOYSA-N -1 3 229.283 2.224 20 0 BEADHM Nc1ccccc1-c1ccc(=S)[n-]n1 ZINC001241063410 982173792 /nfs/dbraw/zinc/17/37/92/982173792.db2.gz GILLCRWDCWLAKP-UHFFFAOYSA-N -1 3 203.270 2.015 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC(C)(C)C2CC2)n1 ZINC001195330587 982234185 /nfs/dbraw/zinc/23/41/85/982234185.db2.gz QBAGVSVZMDUBDZ-UHFFFAOYSA-N -1 3 234.299 2.014 20 0 BEADHM [O-]c1cc(F)cc(-c2nccc3nc[nH]c32)c1 ZINC001241257031 982394004 /nfs/dbraw/zinc/39/40/04/982394004.db2.gz FKGLCODGJRUIGY-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM [O-]c1cc(F)cc(-c2cc3nccc-3[n-][nH+]2)c1 ZINC001241261751 982397744 /nfs/dbraw/zinc/39/77/44/982397744.db2.gz PPACRRMMASVAFW-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM [O-]c1cc(F)cc(-c2ccc3ncnn3c2)c1 ZINC001241266924 982403526 /nfs/dbraw/zinc/40/35/26/982403526.db2.gz OTDLNJZFKIYJRD-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM [O-]c1cc(F)cc(-c2ccc3nccn3n2)c1 ZINC001241272640 982406531 /nfs/dbraw/zinc/40/65/31/982406531.db2.gz UTPFADRIXFUWQT-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cc1nc(C(N)=O)ccc1-c1cc([O-])cc(F)c1 ZINC001241277216 982408310 /nfs/dbraw/zinc/40/83/10/982408310.db2.gz HSQPOQOBGRRFSS-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM [O-]c1cc(F)cc(-c2cncc3nnoc32)c1 ZINC001241282684 982425610 /nfs/dbraw/zinc/42/56/10/982425610.db2.gz NWIOSIRLIMCJFM-UHFFFAOYSA-N -1 3 231.186 2.130 20 0 BEADHM Nc1ccnc(-c2c(F)ccc([O-])c2F)c1 ZINC001241290321 982429762 /nfs/dbraw/zinc/42/97/62/982429762.db2.gz KEYJCAUVJOJFLH-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM CC/C=C/NC(=O)c1ccc([O-])cc1OC ZINC001197182015 982518846 /nfs/dbraw/zinc/51/88/46/982518846.db2.gz XWSPURBBSREPGO-QPJJXVBHSA-N -1 3 221.256 2.054 20 0 BEADHM C[C@H](CC(=O)[O-])N[C@@H](C)c1cc(O)ccc1F ZINC001589005065 982570415 /nfs/dbraw/zinc/57/04/15/982570415.db2.gz ZCSSGHROXXEILA-SFYZADRCSA-N -1 3 241.262 2.045 20 0 BEADHM Cn1ncc2c1cccc2-c1ccc(=S)[n-]n1 ZINC001241449021 982602272 /nfs/dbraw/zinc/60/22/72/982602272.db2.gz AJQXFXWBNZNJGT-UHFFFAOYSA-N -1 3 242.307 2.319 20 0 BEADHM CC(C)=CCSc1ccc(-c2nnn[n-]2)cn1 ZINC001589380246 982751747 /nfs/dbraw/zinc/75/17/47/982751747.db2.gz QROKIPGZPADNAL-UHFFFAOYSA-N -1 3 247.327 2.320 20 0 BEADHM CC(C)=CCSc1ccc(-c2nn[n-]n2)cn1 ZINC001589380246 982751758 /nfs/dbraw/zinc/75/17/58/982751758.db2.gz QROKIPGZPADNAL-UHFFFAOYSA-N -1 3 247.327 2.320 20 0 BEADHM CC(C)COc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589647459 982855911 /nfs/dbraw/zinc/85/59/11/982855911.db2.gz ULKNZXQUYRHARV-UHFFFAOYSA-N -1 3 236.250 2.041 20 0 BEADHM CC(C)COc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589647459 982855912 /nfs/dbraw/zinc/85/59/12/982855912.db2.gz ULKNZXQUYRHARV-UHFFFAOYSA-N -1 3 236.250 2.041 20 0 BEADHM S=c1ccc(-c2cccc3c[nH]nc32)n[n-]1 ZINC001241622873 982858792 /nfs/dbraw/zinc/85/87/92/982858792.db2.gz YVMOKVKYVMYRHZ-UHFFFAOYSA-N -1 3 228.280 2.309 20 0 BEADHM C[C@H]1C[C@@H]1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590217563 982898281 /nfs/dbraw/zinc/89/82/81/982898281.db2.gz CTEFIVAGHIGTOJ-JGVFFNPUSA-N -1 3 248.261 2.041 20 0 BEADHM C[C@H]1C[C@@H]1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590217563 982898283 /nfs/dbraw/zinc/89/82/83/982898283.db2.gz CTEFIVAGHIGTOJ-JGVFFNPUSA-N -1 3 248.261 2.041 20 0 BEADHM CC[C@H](F)C(=O)Nc1cc(F)ccc1[O-] ZINC001353619664 982926118 /nfs/dbraw/zinc/92/61/18/982926118.db2.gz FLTJMADAMVHALY-ZETCQYMHSA-N -1 3 215.199 2.218 20 0 BEADHM CCC(CC)Nc1cc(-c2nnn[n-]2)cc(C)n1 ZINC001590435837 982941368 /nfs/dbraw/zinc/94/13/68/982941368.db2.gz MKNWGKWHMVSJAJ-UHFFFAOYSA-N -1 3 246.318 2.171 20 0 BEADHM CCC(CC)Nc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001590435837 982941373 /nfs/dbraw/zinc/94/13/73/982941373.db2.gz MKNWGKWHMVSJAJ-UHFFFAOYSA-N -1 3 246.318 2.171 20 0 BEADHM CCCCNc1cc(F)ccc1-c1nnn[n-]1 ZINC001590606311 982965161 /nfs/dbraw/zinc/96/51/61/982965161.db2.gz YDDWXGVGOWUMCW-UHFFFAOYSA-N -1 3 235.266 2.218 20 0 BEADHM CCCCNc1cc(F)ccc1-c1nn[n-]n1 ZINC001590606311 982965170 /nfs/dbraw/zinc/96/51/70/982965170.db2.gz YDDWXGVGOWUMCW-UHFFFAOYSA-N -1 3 235.266 2.218 20 0 BEADHM O=C([O-])c1occc1CN[C@H]1C=CCCC1 ZINC001119538878 982985063 /nfs/dbraw/zinc/98/50/63/982985063.db2.gz GVCSMSDMMWFVFU-JTQLQIEISA-N -1 3 221.256 2.176 20 0 BEADHM CCSCc1ccc(-c2nnn[n-]2)cc1C ZINC001590853864 982998170 /nfs/dbraw/zinc/99/81/70/982998170.db2.gz OTUWZSOBCIRARJ-UHFFFAOYSA-N -1 3 234.328 2.428 20 0 BEADHM CCSCc1ccc(-c2nn[n-]n2)cc1C ZINC001590853864 982998180 /nfs/dbraw/zinc/99/81/80/982998180.db2.gz OTUWZSOBCIRARJ-UHFFFAOYSA-N -1 3 234.328 2.428 20 0 BEADHM Cc1c(NCCCCF)cccc1-c1nnn[n-]1 ZINC001591829739 983092878 /nfs/dbraw/zinc/09/28/78/983092878.db2.gz RIZTZSZZOVFCJL-UHFFFAOYSA-N -1 3 249.293 2.337 20 0 BEADHM Cc1c(NCCCCF)cccc1-c1nn[n-]n1 ZINC001591829739 983092886 /nfs/dbraw/zinc/09/28/86/983092886.db2.gz RIZTZSZZOVFCJL-UHFFFAOYSA-N -1 3 249.293 2.337 20 0 BEADHM Cc1cc(N[C@H]2CC[C@@H]2C)cc(-c2nnn[n-]2)c1 ZINC001592037457 983111596 /nfs/dbraw/zinc/11/15/96/983111596.db2.gz OIJHSAIJCXNQNM-CABZTGNLSA-N -1 3 243.314 2.386 20 0 BEADHM Cc1cc(N[C@H]2CC[C@@H]2C)cc(-c2nn[n-]n2)c1 ZINC001592037457 983111602 /nfs/dbraw/zinc/11/16/02/983111602.db2.gz OIJHSAIJCXNQNM-CABZTGNLSA-N -1 3 243.314 2.386 20 0 BEADHM Cc1cc(NCC(C)C)cc(-c2nnn[n-]2)c1 ZINC001592038140 983111733 /nfs/dbraw/zinc/11/17/33/983111733.db2.gz CUNQLFNKKHENHG-UHFFFAOYSA-N -1 3 231.303 2.243 20 0 BEADHM Cc1cc(NCC(C)C)cc(-c2nn[n-]n2)c1 ZINC001592038140 983111735 /nfs/dbraw/zinc/11/17/35/983111735.db2.gz CUNQLFNKKHENHG-UHFFFAOYSA-N -1 3 231.303 2.243 20 0 BEADHM Cc1cnccc1-c1ccc(-c2nnn[n-]2)s1 ZINC001592300656 983132219 /nfs/dbraw/zinc/13/22/19/983132219.db2.gz URHACDYMJOJNED-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM [O-]c1cc(F)ccc1-c1cnc2[nH]cnc2c1 ZINC001242218277 983418767 /nfs/dbraw/zinc/41/87/67/983418767.db2.gz ZQSHJVPXQOFTKT-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM NC(=O)c1ccc(-c2ccc(F)cc2[O-])cc1F ZINC001242218587 983420619 /nfs/dbraw/zinc/42/06/19/983420619.db2.gz GIWSMJWAXJATEI-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM Cn1nnc2ccc(-c3ccc(F)cc3[O-])cc21 ZINC001242221253 983424019 /nfs/dbraw/zinc/42/40/19/983424019.db2.gz UJLCPTVMBJUKJN-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM CCn1ccc(-c2ccc(F)cc2[O-])cc1=O ZINC001242219811 983424547 /nfs/dbraw/zinc/42/45/47/983424547.db2.gz RTKWPZWJVRKZBQ-UHFFFAOYSA-N -1 3 233.242 2.380 20 0 BEADHM Nc1ccc(-c2cccc(F)c2[O-])cn1 ZINC001242351639 983622950 /nfs/dbraw/zinc/62/29/50/983622950.db2.gz MNXNJHGLTWSUPJ-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM Cc1ncc(-c2cccc(F)c2[O-])cc1C(N)=O ZINC001242352776 983628028 /nfs/dbraw/zinc/62/80/28/983628028.db2.gz DHUAEWLWYHEPLN-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM Nc1cc(-c2cccc(F)c2[O-])ccn1 ZINC001242351876 983629700 /nfs/dbraw/zinc/62/97/00/983629700.db2.gz ZBYRJIAQXNJMTC-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM Cc1ccc([O-])c(NC(=O)NC(C)(C)C)n1 ZINC001202471906 983681001 /nfs/dbraw/zinc/68/10/01/983681001.db2.gz UURLOOPBJUIGHW-UHFFFAOYSA-N -1 3 223.276 2.016 20 0 BEADHM CC(C)(C)NC(=O)Nc1ccc(F)c([O-])c1 ZINC001202478311 983741599 /nfs/dbraw/zinc/74/15/99/983741599.db2.gz FQDOWXOZWPZKOM-UHFFFAOYSA-N -1 3 226.251 2.451 20 0 BEADHM CC(C)NC(=O)Nc1ccc(F)c([O-])c1 ZINC001202525057 983862666 /nfs/dbraw/zinc/86/26/66/983862666.db2.gz FETHVIZQIBDEMS-UHFFFAOYSA-N -1 3 212.224 2.061 20 0 BEADHM C=C/C=C\CCN(C)Cc1ccc(C(=O)[O-])cn1 ZINC001588720214 983965272 /nfs/dbraw/zinc/96/52/72/983965272.db2.gz NHWAXQULDKBRAU-PLNGDYQASA-N -1 3 246.310 2.344 20 0 BEADHM Cc1ccc(-c2noc(-c3cnn[n-]3)n2)cc1C ZINC001212799234 984165007 /nfs/dbraw/zinc/16/50/07/984165007.db2.gz PTACBJPHAABSFK-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM Cc1ccc(-c2noc(-c3c[n-]nn3)n2)cc1C ZINC001212799234 984165015 /nfs/dbraw/zinc/16/50/15/984165015.db2.gz PTACBJPHAABSFK-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM O=C([O-])c1ccccc1-c1nccc2c1CCN2 ZINC001242876505 984215086 /nfs/dbraw/zinc/21/50/86/984215086.db2.gz GEOPNKSHRSBMCB-UHFFFAOYSA-N -1 3 240.262 2.415 20 0 BEADHM NC(=S)c1ccnc(-c2ccc(F)c([O-])c2)c1 ZINC001243048074 984396119 /nfs/dbraw/zinc/39/61/19/984396119.db2.gz FLDCFFSWZIEALP-UHFFFAOYSA-N -1 3 248.282 2.228 20 0 BEADHM O=c1occ2[nH]cc(-c3ccc(F)c([O-])c3)cc1-2 ZINC001243048598 984396485 /nfs/dbraw/zinc/39/64/85/984396485.db2.gz ASDQOGSCJAYDLR-UHFFFAOYSA-N -1 3 245.209 2.264 20 0 BEADHM [O-]c1cc(-c2cnc(F)nc2)ccc1F ZINC001243050293 984399823 /nfs/dbraw/zinc/39/98/23/984399823.db2.gz VXBPJVOVAXSSQC-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM COCc1nc(C)cc(-c2ccc(F)c([O-])c2)n1 ZINC001243049594 984400571 /nfs/dbraw/zinc/40/05/71/984400571.db2.gz LUVFMCYSVKNZSJ-UHFFFAOYSA-N -1 3 248.257 2.443 20 0 BEADHM [O-]c1cc(-c2ncnc3cc[nH]c32)ccc1F ZINC001243049445 984400794 /nfs/dbraw/zinc/40/07/94/984400794.db2.gz UEILTNDMXJHEFI-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM Cc1noc2ncnc(-c3ccc(F)c([O-])c3)c12 ZINC001243049630 984405196 /nfs/dbraw/zinc/40/51/96/984405196.db2.gz MRALUOCWLSFDCJ-UHFFFAOYSA-N -1 3 245.213 2.438 20 0 BEADHM [O-]c1cc(-c2ncnc3c2COC3)ccc1F ZINC001243050784 984412098 /nfs/dbraw/zinc/41/20/98/984412098.db2.gz SPEYSYQLIOPAII-UHFFFAOYSA-N -1 3 232.214 2.019 20 0 BEADHM Cc1c(C(N)=O)cncc1-c1ccc(F)c([O-])c1 ZINC001243051597 984415296 /nfs/dbraw/zinc/41/52/96/984415296.db2.gz OCFMYLYJUOGYPK-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM [O-]c1cc(-c2ncnc3c2COCC3)ccc1F ZINC001243054790 984416713 /nfs/dbraw/zinc/41/67/13/984416713.db2.gz STNPPKSNGZVEHL-UHFFFAOYSA-N -1 3 246.241 2.061 20 0 BEADHM O=c1occcc1-c1ccc(F)c([O-])c1 ZINC001243060908 984436113 /nfs/dbraw/zinc/43/61/13/984436113.db2.gz AHNSAOWSGNOJEP-UHFFFAOYSA-N -1 3 206.172 2.152 20 0 BEADHM OCc1cccc(-c2ccc(=S)[n-]n2)c1F ZINC001243140503 984598701 /nfs/dbraw/zinc/59/87/01/984598701.db2.gz WKWYMGQRTICKRH-UHFFFAOYSA-N -1 3 236.271 2.064 20 0 BEADHM C/C(=C\CN1CCC[C@@H]1c1cccnc1)C(=O)[O-] ZINC001588959942 984729068 /nfs/dbraw/zinc/72/90/68/984729068.db2.gz VHQGFSXXCHBICF-ASJRZHAZSA-N -1 3 246.310 2.249 20 0 BEADHM Cc1ccc(-c2ccc(=S)[n-]n2)cc1O ZINC001243227927 984747092 /nfs/dbraw/zinc/74/70/92/984747092.db2.gz DRIUHVKLVCHDES-UHFFFAOYSA-N -1 3 218.281 2.446 20 0 BEADHM C/C(=C\c1ccccc1)CN[C@H](CF)C(=O)[O-] ZINC001589003672 984954996 /nfs/dbraw/zinc/95/49/96/984954996.db2.gz HMNKIBNESVGKSR-OFFHKIPUSA-N -1 3 237.274 2.102 20 0 BEADHM C/C(=C\c1ccccc1)CN[C@@H](CF)C(=O)[O-] ZINC001589003673 984955090 /nfs/dbraw/zinc/95/50/90/984955090.db2.gz HMNKIBNESVGKSR-PMDBQALLSA-N -1 3 237.274 2.102 20 0 BEADHM O=C([N-]c1ccns1)c1cc(Cl)no1 ZINC001454379994 985033459 /nfs/dbraw/zinc/03/34/59/985033459.db2.gz MNNJSVNRTLMBKM-UHFFFAOYSA-N -1 3 229.648 2.037 20 0 BEADHM COc1ncc(F)c(-c2cccc([O-])c2F)n1 ZINC001243542199 985066274 /nfs/dbraw/zinc/06/62/74/985066274.db2.gz IUPGWWFTDYFVBY-UHFFFAOYSA-N -1 3 238.193 2.136 20 0 BEADHM CCCO[N-]C(=O)Cc1ccccc1Cl ZINC000686772013 985212098 /nfs/dbraw/zinc/21/20/98/985212098.db2.gz HLYRVTQKUFQFDF-UHFFFAOYSA-N -1 3 227.691 2.340 20 0 BEADHM Nc1ncc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001243878557 985556426 /nfs/dbraw/zinc/55/64/26/985556426.db2.gz OTUGFNMMKSLTIS-UHFFFAOYSA-N -1 3 242.307 2.021 20 0 BEADHM Cc1cncc(-c2ccc(=S)[n-]n2)c1C ZINC001244152649 985866016 /nfs/dbraw/zinc/86/60/16/985866016.db2.gz TUMBMVCFLXBVJB-UHFFFAOYSA-N -1 3 217.297 2.444 20 0 BEADHM Nc1ccnc(-c2ccc(CCC(=O)[O-])cc2)c1 ZINC001244188260 985879093 /nfs/dbraw/zinc/87/90/93/985879093.db2.gz WFEQCDCYPFBVTF-UHFFFAOYSA-N -1 3 242.278 2.348 20 0 BEADHM Cc1ccc(O)cc1-c1ccc(=S)[n-]n1 ZINC001244447814 986099804 /nfs/dbraw/zinc/09/98/04/986099804.db2.gz XFWLBTHZMMDCKQ-UHFFFAOYSA-N -1 3 218.281 2.446 20 0 BEADHM NC(=O)c1cncc(-c2ccc(Cl)cc2[O-])c1 ZINC001244469156 986131420 /nfs/dbraw/zinc/13/14/20/986131420.db2.gz CUKCETCYYNQRLN-UHFFFAOYSA-N -1 3 248.669 2.207 20 0 BEADHM Cn1ccc(-c2ccc(Cl)cc2[O-])cc1=O ZINC001244469386 986143879 /nfs/dbraw/zinc/14/38/79/986143879.db2.gz JOLYRXISSULGAB-UHFFFAOYSA-N -1 3 235.670 2.411 20 0 BEADHM CCCc1nnc(-c2ccc3[nH][n-]c(=O)c3c2)o1 ZINC001253952046 986458151 /nfs/dbraw/zinc/45/81/51/986458151.db2.gz RKTRKNJYNVGVDA-UHFFFAOYSA-N -1 3 244.254 2.271 20 0 BEADHM CCCO[N-]C(=O)CC[C@H]1CC1(Cl)Cl ZINC001261746656 986527079 /nfs/dbraw/zinc/52/70/79/986527079.db2.gz PQOKJOHKFPZJPC-ZETCQYMHSA-N -1 3 240.130 2.418 20 0 BEADHM [O-]c1ccc(Cl)cc1-c1cncn2cnnc12 ZINC001245052535 986612090 /nfs/dbraw/zinc/61/20/90/986612090.db2.gz JOUPDOMOESDRCS-UHFFFAOYSA-N -1 3 246.657 2.150 20 0 BEADHM Nc1ncc(-c2cc(Cl)ccc2[O-])cn1 ZINC001245052924 986614090 /nfs/dbraw/zinc/61/40/90/986614090.db2.gz XCGPVPNMHLUIJF-UHFFFAOYSA-N -1 3 221.647 2.085 20 0 BEADHM [O-]c1ccc(-c2cn3ncnc3cn2)c(Cl)c1 ZINC001245083097 986650229 /nfs/dbraw/zinc/65/02/29/986650229.db2.gz JBLWNWLNJSZJAY-UHFFFAOYSA-N -1 3 246.657 2.150 20 0 BEADHM CCc1cccc(C(=O)N[C@@H](C)C(F)F)c1[O-] ZINC001468856249 986943932 /nfs/dbraw/zinc/94/39/32/986943932.db2.gz FCDAIGDUZFSXDV-ZETCQYMHSA-N -1 3 243.253 2.338 20 0 BEADHM COC(=O)c1cnccc1-c1c([O-])cccc1F ZINC001245655171 987033236 /nfs/dbraw/zinc/03/32/36/987033236.db2.gz ATACPWKPYDBDMR-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM CCCCCCc1nnc(-c2cnc[n-]c2=O)o1 ZINC001256377710 987205373 /nfs/dbraw/zinc/20/53/73/987205373.db2.gz DCUFSOKIKQJKOB-UHFFFAOYSA-N -1 3 248.286 2.355 20 0 BEADHM CC[C@@H](NC(=O)c1ccccc1[O-])C(F)(F)F ZINC001472459384 987229331 /nfs/dbraw/zinc/22/93/31/987229331.db2.gz DTEJSEUCPNTJQQ-SECBINFHSA-N -1 3 247.216 2.463 20 0 BEADHM O=C([O-])c1ccc(CN2CCCC3(CC3)C2)o1 ZINC000695118235 987328381 /nfs/dbraw/zinc/32/83/81/987328381.db2.gz FBBKIMHENQUCAV-UHFFFAOYSA-N -1 3 235.283 2.354 20 0 BEADHM CC(C)(C)[C@@H](NC/C(Cl)=C/Cl)C(=O)[O-] ZINC001589716735 987861146 /nfs/dbraw/zinc/86/11/46/987861146.db2.gz HIFSOFVXMMQQDG-NGAMADIESA-N -1 3 240.130 2.394 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)NC/C=C/C1CC1 ZINC001117803319 987932270 /nfs/dbraw/zinc/93/22/70/987932270.db2.gz HHGNZABVLYZANB-OWOJBTEDSA-N -1 3 249.285 2.156 20 0 BEADHM CCc1ccc([O-])c(C(=O)NOC(C)C)c1 ZINC001117848369 987949705 /nfs/dbraw/zinc/94/97/05/987949705.db2.gz XIFPNPFYZLPAEM-UHFFFAOYSA-N -1 3 223.272 2.024 20 0 BEADHM O=C(OCCC1CCC1)c1cncc([O-])c1 ZINC001118388241 988301597 /nfs/dbraw/zinc/30/15/97/988301597.db2.gz DDGGITRTPFPHCP-UHFFFAOYSA-N -1 3 221.256 2.134 20 0 BEADHM CC1(C)C[C@H](OC(=O)c2cc3occc3[n-]2)CO1 ZINC001118458810 988362110 /nfs/dbraw/zinc/36/21/10/988362110.db2.gz LYNLVESDJITLLJ-QMMMGPOBSA-N -1 3 249.266 2.485 20 0 BEADHM CCCc1ccc(CNC[C@@H](F)C(=O)[O-])s1 ZINC001118805176 988610735 /nfs/dbraw/zinc/61/07/35/988610735.db2.gz NSHSNOIJBBMKPX-SNVBAGLBSA-N -1 3 245.319 2.213 20 0 BEADHM Cc1ccc(CN[C@H]2C=C[C@@H](C(=O)[O-])C2)c(F)c1 ZINC001118920962 988701586 /nfs/dbraw/zinc/70/15/86/988701586.db2.gz ZBBFIIFPRWKQLP-PWSUYJOCSA-N -1 3 249.285 2.253 20 0 BEADHM CC(C)(C)O[N-]C(=O)CC1CC(F)(F)C1 ZINC001324486755 988854834 /nfs/dbraw/zinc/85/48/34/988854834.db2.gz SBRUAUIRNXNVEY-UHFFFAOYSA-N -1 3 221.247 2.268 20 0 BEADHM Cc1cccc2[nH]cc(CC(=O)[N-]OC(C)C)c21 ZINC001324792277 988978709 /nfs/dbraw/zinc/97/87/09/988978709.db2.gz RTTTZQIAMDMLNY-UHFFFAOYSA-N -1 3 246.310 2.475 20 0 BEADHM CC(C)(C)CNC(=S)Nc1cncc([O-])c1 ZINC001247933796 989042730 /nfs/dbraw/zinc/04/27/30/989042730.db2.gz WALYQMMZSHEBQR-UHFFFAOYSA-N -1 3 239.344 2.120 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCCC(C)(C)C2)n1 ZINC001515459877 989052020 /nfs/dbraw/zinc/05/20/20/989052020.db2.gz RDCKQPUWDUBDDB-UHFFFAOYSA-N -1 3 221.304 2.117 20 0 BEADHM Cc1ccoc1CNc1nc(C)cc(=O)[n-]1 ZINC001515767897 989111014 /nfs/dbraw/zinc/11/10/14/989111014.db2.gz KDZKWMWESAHPKC-UHFFFAOYSA-N -1 3 219.244 2.004 20 0 BEADHM CCc1oc(CN[C@H]2[C@@H]3CCC[C@@H]32)cc1C(=O)[O-] ZINC001597802524 989401539 /nfs/dbraw/zinc/40/15/39/989401539.db2.gz QQEWPABICKGPMO-IWIIMEHWSA-N -1 3 249.310 2.428 20 0 BEADHM O=C(/C=C\c1nccs1)[N-]OCCC1CC1 ZINC001521429803 989708056 /nfs/dbraw/zinc/70/80/56/989708056.db2.gz PXAMDJAIYANCIN-ARJAWSKDSA-N -1 3 238.312 2.004 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC001120856955 989927461 /nfs/dbraw/zinc/92/74/61/989927461.db2.gz NBXLOMOHPMHOLX-UTLUCORTSA-N -1 3 219.288 2.091 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC001120857499 989927798 /nfs/dbraw/zinc/92/77/98/989927798.db2.gz FMSPQKBMBYXGEY-LPEHRKFASA-N -1 3 219.288 2.091 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](CCF)C2)n1 ZINC001120861879 989931593 /nfs/dbraw/zinc/93/15/93/989931593.db2.gz IWQCWOYJGXBISL-JTQLQIEISA-N -1 3 239.294 2.067 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H](C)c2ccns2)n1 ZINC001120868546 989936916 /nfs/dbraw/zinc/93/69/16/989936916.db2.gz ZKHGGSSZTBCWFT-ZETCQYMHSA-N -1 3 236.300 2.120 20 0 BEADHM C/C=C/CN[C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001604852909 990351376 /nfs/dbraw/zinc/35/13/76/990351376.db2.gz SMGOZTNWGMEZDZ-NWALNABHSA-N -1 3 220.272 2.007 20 0 BEADHM C/C=C/CN[C@H](C)c1cncc(C(=O)[O-])c1 ZINC001604852908 990352513 /nfs/dbraw/zinc/35/25/13/990352513.db2.gz SMGOZTNWGMEZDZ-CDAZIORVSA-N -1 3 220.272 2.007 20 0 BEADHM O=C([N-]c1cnoc1)c1coc(C(F)F)c1 ZINC001529584423 990356289 /nfs/dbraw/zinc/35/62/89/990356289.db2.gz UFSWJQYSZYVILK-UHFFFAOYSA-N -1 3 228.154 2.458 20 0 BEADHM CC(C)(CF)NCc1cc(C(=O)[O-])cs1 ZINC001590701178 990415530 /nfs/dbraw/zinc/41/55/30/990415530.db2.gz GLUQITBUCJGELY-UHFFFAOYSA-N -1 3 231.292 2.284 20 0 BEADHM Cc1nocc1C(=O)[N-]c1cc(C(C)C)on1 ZINC001538237151 990525902 /nfs/dbraw/zinc/52/59/02/990525902.db2.gz RAXQMVKHGSDWRN-UHFFFAOYSA-N -1 3 235.243 2.347 20 0 BEADHM CO[N-]C(=O)CCc1ccc2ccccc2c1O ZINC001543181312 990684372 /nfs/dbraw/zinc/68/43/72/990684372.db2.gz SUVVFYAJCKTYQC-UHFFFAOYSA-N -1 3 245.278 2.156 20 0 BEADHM CC(C)=CCC[C@@H](C)NC(=O)c1cnncc1[O-] ZINC001556673583 990841734 /nfs/dbraw/zinc/84/17/34/990841734.db2.gz FYVSQQOHRCPCRZ-SNVBAGLBSA-N -1 3 249.314 2.047 20 0 BEADHM Cc1nocc1[N-]C(=O)c1cc(C=O)ccc1F ZINC001557304932 990884273 /nfs/dbraw/zinc/88/42/73/990884273.db2.gz LIKRHUHKFWMVGY-UHFFFAOYSA-N -1 3 248.213 2.187 20 0 BEADHM CN(Cc1ccsc1)Cc1ncccc1[O-] ZINC001138394976 990934015 /nfs/dbraw/zinc/93/40/15/990934015.db2.gz RASDWNIHRORBJC-UHFFFAOYSA-N -1 3 234.324 2.481 20 0 BEADHM CCCC1CCC(Nc2cnc(C)[n-]c2=O)CC1 ZINC001258531079 991478529 /nfs/dbraw/zinc/47/85/29/991478529.db2.gz VBUXMXVHAJHLCA-WXRRBKDZSA-N -1 3 249.358 2.333 20 0 BEADHM CC(C)C1CN(Cc2ccoc2C(=O)[O-])C1 ZINC001591096163 991685470 /nfs/dbraw/zinc/68/54/70/991685470.db2.gz AVDIPDXTKAOFQQ-UHFFFAOYSA-N -1 3 223.272 2.066 20 0 BEADHM O=C([N-]C[C@H]1C[C@@H]1C1CCCC1)C(F)(F)F ZINC001562030794 991739311 /nfs/dbraw/zinc/73/93/11/991739311.db2.gz VAMUNSSOIOFCJM-RKDXNWHRSA-N -1 3 235.249 2.491 20 0 BEADHM CCCC[C@@H](CC)C[N-]S(=O)(=O)C(F)F ZINC001259962053 992067638 /nfs/dbraw/zinc/06/76/38/992067638.db2.gz BVLJHBURTPBDKM-MRVPVSSYSA-N -1 3 243.319 2.345 20 0 BEADHM CC[C@H](C)S(=O)(=O)Nc1ccc(F)c([O-])c1 ZINC001260738397 992155097 /nfs/dbraw/zinc/15/50/97/992155097.db2.gz MZWFOYLBHRDWOW-ZETCQYMHSA-N -1 3 247.291 2.072 20 0 BEADHM Cc1csc(CCC(=O)[N-]OC(C)(C)C)n1 ZINC001320814239 992370139 /nfs/dbraw/zinc/37/01/39/992370139.db2.gz NEDAKISNMCPRKQ-UHFFFAOYSA-N -1 3 242.344 2.230 20 0 BEADHM CC(C)CCn1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC001261890620 992566432 /nfs/dbraw/zinc/56/64/32/992566432.db2.gz JVKIJQMKRUUMFP-GXSJLCMTSA-N -1 3 208.305 2.277 20 0 BEADHM Cc1cccc([O-])c1C(=O)NCCCC(F)F ZINC001262206488 992802197 /nfs/dbraw/zinc/80/21/97/992802197.db2.gz DDVUDSBFWGSRLX-UHFFFAOYSA-N -1 3 243.253 2.476 20 0 BEADHM Cc1nc(N[C@@H]2CCC[C@H](F)C2)cc(=O)[n-]1 ZINC001262370466 992866218 /nfs/dbraw/zinc/86/62/18/992866218.db2.gz JHRFPYFTBKARTA-DTWKUNHWSA-N -1 3 225.267 2.183 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@H]2CCC3(CCC3)O2)n1 ZINC001262705324 993047794 /nfs/dbraw/zinc/04/77/94/993047794.db2.gz GCRAZADNLJWRTP-SNVBAGLBSA-N -1 3 249.314 2.004 20 0 BEADHM C[C@H](NCCc1ccco1)c1cc(C(=O)[O-])co1 ZINC001593274220 994624261 /nfs/dbraw/zinc/62/42/61/994624261.db2.gz KCSOORBWXNFLCW-VIFPVBQESA-N -1 3 249.266 2.464 20 0 BEADHM CCn1cccc1C(=O)Nc1nc(C)ccc1[O-] ZINC001297166624 994855472 /nfs/dbraw/zinc/85/54/72/994855472.db2.gz QDIXPGNDEJCGDW-UHFFFAOYSA-N -1 3 245.282 2.169 20 0 BEADHM C[C@H](N[C@H]1CC[C@@H](C(=O)[O-])C1)c1cscn1 ZINC001593356857 995004678 /nfs/dbraw/zinc/00/46/78/995004678.db2.gz KSRUBEGMUNLRQL-YIZRAAEISA-N -1 3 240.328 2.047 20 0 BEADHM C[C@@H](N[C@H]1CC[C@@H](C(=O)[O-])C1)c1cscn1 ZINC001593356855 995004769 /nfs/dbraw/zinc/00/47/69/995004769.db2.gz KSRUBEGMUNLRQL-HLTSFMKQSA-N -1 3 240.328 2.047 20 0 BEADHM Cc1cc(=O)[n-]c(NCc2ccccc2C)n1 ZINC000669368025 995217923 /nfs/dbraw/zinc/21/79/23/995217923.db2.gz LNWYQZILUCHYPY-UHFFFAOYSA-N -1 3 229.283 2.411 20 0 BEADHM O=C([O-])c1ccc(CN2CCC3(CCC3)C2)[nH]1 ZINC001608881517 1170207765 /nfs/dbraw/zinc/20/77/65/1170207765.db2.gz BKXVSOLCNLFJMD-UHFFFAOYSA-N -1 3 234.299 2.089 20 0 BEADHM CC/C=C/CNc1ccc(-c2nn[n-]n2)cc1F ZINC001609203222 1170241816 /nfs/dbraw/zinc/24/18/16/1170241816.db2.gz BWKZUPZFZCFCQR-ONEGZZNKSA-N -1 3 247.277 2.384 20 0 BEADHM Cc1c(NC[C@H]2C[C@H]2C)cccc1-c1nnn[n-]1 ZINC001609385403 1170254440 /nfs/dbraw/zinc/25/44/40/1170254440.db2.gz BSVFOIVKJHRNPL-PSASIEDQSA-N -1 3 243.314 2.243 20 0 BEADHM Cc1c(NC[C@H]2C[C@H]2C)cccc1-c1nn[n-]n1 ZINC001609385403 1170254447 /nfs/dbraw/zinc/25/44/47/1170254447.db2.gz BSVFOIVKJHRNPL-PSASIEDQSA-N -1 3 243.314 2.243 20 0 BEADHM Cc1cc(NC2CC(C)C2)cc(-c2nnn[n-]2)c1 ZINC001609408690 1170256488 /nfs/dbraw/zinc/25/64/88/1170256488.db2.gz IBZJVMVKRILCJM-UHFFFAOYSA-N -1 3 243.314 2.386 20 0 BEADHM Cc1cc(NC2CC(C)C2)cc(-c2nn[n-]n2)c1 ZINC001609408690 1170256492 /nfs/dbraw/zinc/25/64/92/1170256492.db2.gz IBZJVMVKRILCJM-UHFFFAOYSA-N -1 3 243.314 2.386 20 0 BEADHM CC1(C)CN(Cc2c[nH]c(C(=O)[O-])c2)C1(C)C ZINC001609818081 1170295051 /nfs/dbraw/zinc/29/50/51/1170295051.db2.gz HJKYJKIIBVIAOA-UHFFFAOYSA-N -1 3 236.315 2.333 20 0 BEADHM Cc1nocc1[N-]C(=O)c1nccc2occc21 ZINC001611492720 1170439555 /nfs/dbraw/zinc/43/95/55/1170439555.db2.gz VSSDJMWNONPATE-UHFFFAOYSA-N -1 3 243.222 2.377 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CC2(CCC2)C1 ZINC001622599945 1170891039 /nfs/dbraw/zinc/89/10/39/1170891039.db2.gz YQMLCWOCUMHNCS-UHFFFAOYSA-N -1 3 231.295 2.327 20 0 BEADHM C=C=CCNC(=O)c1cc([O-])ccc1Cl ZINC001624910787 1171062268 /nfs/dbraw/zinc/06/22/68/1171062268.db2.gz UOISRWBMMCCMHT-UHFFFAOYSA-N -1 3 223.659 2.117 20 0 BEADHM CC[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@H]1C ZINC001633403341 1171575067 /nfs/dbraw/zinc/57/50/67/1171575067.db2.gz DMWIMYBOMGTGLS-UWVGGRQHSA-N -1 3 249.310 2.358 20 0 BEADHM CN(Cc1ccc(C(=O)[O-])cc1F)CC1CC1 ZINC000062753148 349492402 /nfs/dbraw/zinc/49/24/02/349492402.db2.gz SBPHCZKUCGVJRQ-UHFFFAOYSA-N -1 3 237.274 2.366 20 0 BEADHM O=c1[nH]c(-c2ccccc2)nc2ccc([O-])cc21 ZINC000018096578 538919938 /nfs/dbraw/zinc/91/99/38/538919938.db2.gz IYHUGVSWIKGCHL-UHFFFAOYSA-N -1 3 238.246 2.296 20 0 BEADHM CCC[C@H](OC)C(=O)Nc1cccc([O-])c1F ZINC000649337319 398152807 /nfs/dbraw/zinc/15/28/07/398152807.db2.gz CAZDKGKAEGADIT-JTQLQIEISA-N -1 3 241.262 2.285 20 0 BEADHM O=c1[n-]c(-c2ccc(F)cc2)nc2cccnc21 ZINC000491562461 538921115 /nfs/dbraw/zinc/92/11/15/538921115.db2.gz XCNROWRBUMYMGS-UHFFFAOYSA-N -1 3 241.225 2.124 20 0 BEADHM O=c1[n-]c(Cc2ccccc2)nc2cccnc21 ZINC000491582252 538921125 /nfs/dbraw/zinc/92/11/25/538921125.db2.gz VZNDQCFTZDILTJ-UHFFFAOYSA-N -1 3 237.262 2.321 20 0 BEADHM Cc1n[nH]c(C)c1C=Cc1nc(C)cc(=O)[n-]1 ZINC000339115478 187328458 /nfs/dbraw/zinc/32/84/58/187328458.db2.gz BELDCTXQSFAVGI-PLNGDYQASA-N -1 3 230.271 2.001 20 0 BEADHM Cc1cc(NC(=O)c2cccc(C)c2[O-])no1 ZINC000019837772 178150038 /nfs/dbraw/zinc/15/00/38/178150038.db2.gz VQVYGIWVIHNRNI-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM Cc1cc([N-]C(=O)c2ocnc2C2CC2)no1 ZINC000289427683 178152443 /nfs/dbraw/zinc/15/24/43/178152443.db2.gz VHUOXGVTOZXAJR-UHFFFAOYSA-N -1 3 233.227 2.101 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2ccco2)n1 ZINC000192526104 178202220 /nfs/dbraw/zinc/20/22/20/178202220.db2.gz PGXZPSKUXQDILI-SNVBAGLBSA-N -1 3 247.298 2.277 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2CCCCCC2)n1 ZINC000177911733 178202727 /nfs/dbraw/zinc/20/27/27/178202727.db2.gz YJFDZSWZOYJKIB-NSHDSACASA-N -1 3 235.331 2.428 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H]3CCCC[C@H]32)n1 ZINC000368083362 178203215 /nfs/dbraw/zinc/20/32/15/178203215.db2.gz LBAPUQOEIARFOK-QJPTWQEYSA-N -1 3 247.342 2.426 20 0 BEADHM Cc1cc2c([n-]c([C@@H]3CCCO3)nc2=O)s1 ZINC000178985289 178277135 /nfs/dbraw/zinc/27/71/35/178277135.db2.gz JKFVFPPPMQSOFB-QMMMGPOBSA-N -1 3 236.296 2.145 20 0 BEADHM Cc1ccc(C(=O)N(C)C(C)C)c([O-])c1 ZINC000019837649 178374805 /nfs/dbraw/zinc/37/48/05/178374805.db2.gz PTFSWGNMANRGSY-UHFFFAOYSA-N -1 3 207.273 2.181 20 0 BEADHM Cc1noc([N-]C(=O)c2ccsc2Cl)n1 ZINC001638196878 1172002223 /nfs/dbraw/zinc/00/22/23/1172002223.db2.gz RMPPHYSPXRIYLG-UHFFFAOYSA-N -1 3 243.675 2.345 20 0 BEADHM CC(C)C[C@@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000188619296 346829203 /nfs/dbraw/zinc/82/92/03/346829203.db2.gz DTHZVPMMEBRMTN-SECBINFHSA-N -1 3 246.314 2.122 20 0 BEADHM CC(C)C[C@@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000188619296 346829205 /nfs/dbraw/zinc/82/92/05/346829205.db2.gz DTHZVPMMEBRMTN-SECBINFHSA-N -1 3 246.314 2.122 20 0 BEADHM CC(C)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000188619296 346829207 /nfs/dbraw/zinc/82/92/07/346829207.db2.gz DTHZVPMMEBRMTN-SECBINFHSA-N -1 3 246.314 2.122 20 0 BEADHM Cc1cccc(C(=O)NCc2ncccc2[O-])c1 ZINC000335338536 136234376 /nfs/dbraw/zinc/23/43/76/136234376.db2.gz IISNPHYPWYIZRJ-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM C[C@@H]1CCCN1Cc1ccc(C(=O)[O-])s1 ZINC000071026375 361931193 /nfs/dbraw/zinc/93/11/93/361931193.db2.gz ADSKLGMIQJDVNP-MRVPVSSYSA-N -1 3 225.313 2.431 20 0 BEADHM Cc1ccoc1CNC[C@@H](C(=O)[O-])C(C)C ZINC000381463544 539001162 /nfs/dbraw/zinc/00/11/62/539001162.db2.gz KLTDTNKTSFBGKO-SNVBAGLBSA-N -1 3 225.288 2.034 20 0 BEADHM [O-]c1cccnc1-c1nc2ccccc2[nH]1 ZINC000013679468 342870320 /nfs/dbraw/zinc/87/03/20/342870320.db2.gz SRYNFTOUOFLELK-UHFFFAOYSA-N -1 3 211.224 2.331 20 0 BEADHM CC(C)CN(C)C(=O)c1ccccc1[O-] ZINC000037023404 342916448 /nfs/dbraw/zinc/91/64/48/342916448.db2.gz GDNWMCFXRKMSIH-UHFFFAOYSA-N -1 3 207.273 2.120 20 0 BEADHM CC[C@@H](C(=O)[O-])N(C)Cc1cccs1 ZINC000037374523 342928838 /nfs/dbraw/zinc/92/88/38/342928838.db2.gz IRSDJIWSCRDIKP-VIFPVBQESA-N -1 3 213.302 2.043 20 0 BEADHM C/C(=C\c1ccco1)C(=O)[N-]OC/C=C/Cl ZINC001638369048 1172017196 /nfs/dbraw/zinc/01/71/96/1172017196.db2.gz GLOXPARPJRLQTA-YEQUJYSKSA-N -1 3 241.674 2.483 20 0 BEADHM Cc1[n-]n([C@@H](C)C2CC2)c(=O)c1C1CC1 ZINC000634597422 342973742 /nfs/dbraw/zinc/97/37/42/342973742.db2.gz JVPJGXFMACEIKV-GZMMTYOYSA-N -1 3 206.289 2.029 20 0 BEADHM C[C@@H](C1CC1)n1ncc2cc([O-])ccc2c1=O ZINC000634597703 342974927 /nfs/dbraw/zinc/97/49/27/342974927.db2.gz RKIKKLXDFDMTCS-QMMMGPOBSA-N -1 3 230.267 2.073 20 0 BEADHM CCC(CC)n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634605385 342999632 /nfs/dbraw/zinc/99/96/32/342999632.db2.gz KFJAVLONQXGQFD-LDYMZIIASA-N -1 3 208.305 2.419 20 0 BEADHM CCc1c(-c2ccccc2)[n-]n(C2CC2)c1=O ZINC000634618288 343016189 /nfs/dbraw/zinc/01/61/89/343016189.db2.gz MBFMLKOWGAOSEO-LBPRGKRZSA-N -1 3 228.295 2.422 20 0 BEADHM Cc1nc([N-]C(=O)c2nccs2)cs1 ZINC000683562945 488196294 /nfs/dbraw/zinc/19/62/94/488196294.db2.gz QKRIXEKZZJSQJF-UHFFFAOYSA-N -1 3 225.298 2.160 20 0 BEADHM CCCN(C)Cc1cc(C(=O)[O-])oc1CC ZINC000576829634 365697068 /nfs/dbraw/zinc/69/70/68/365697068.db2.gz CBLBHTYLFZBIOQ-UHFFFAOYSA-N -1 3 225.288 2.382 20 0 BEADHM CCS(=O)(=O)[N-]c1c(Cl)cccc1OC ZINC000634664049 343079917 /nfs/dbraw/zinc/07/99/17/343079917.db2.gz LDUSXXOJMSZDCS-UHFFFAOYSA-N -1 3 249.719 2.110 20 0 BEADHM CC[C@@H](NCc1cccc([O-])c1Cl)[C@H](C)O ZINC000386736846 343107030 /nfs/dbraw/zinc/10/70/30/343107030.db2.gz CLFQOHXOBRIHKI-WCBMZHEXSA-N -1 3 243.734 2.295 20 0 BEADHM C[C@H]1CN(c2ccncc2C(=O)[O-])CC[C@@H]1C ZINC000130137197 343180305 /nfs/dbraw/zinc/18/03/05/343180305.db2.gz WBYCVNHNIWYUQI-UWVGGRQHSA-N -1 3 234.299 2.262 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H]2CCC2(C)C)n1 ZINC000576955072 365730655 /nfs/dbraw/zinc/73/06/55/365730655.db2.gz WOQZBWCIOZNZJR-ZJUUUORDSA-N -1 3 235.331 2.330 20 0 BEADHM CN(Cc1ccc(C(=O)[O-])cn1)CC1CCC1 ZINC000094762698 343157141 /nfs/dbraw/zinc/15/71/41/343157141.db2.gz AVQDNVVWTMGFBX-UHFFFAOYSA-N -1 3 234.299 2.012 20 0 BEADHM C[C@H]1C[C@H](O)CN1Cc1cc([O-])ccc1Cl ZINC000625274051 343213175 /nfs/dbraw/zinc/21/31/75/343213175.db2.gz SLICZUTZFHRXHP-KWQFWETISA-N -1 3 241.718 2.001 20 0 BEADHM C[C@@]1(CNC(=O)c2ccccc2[O-])CC1(F)F ZINC000618605417 343215551 /nfs/dbraw/zinc/21/55/51/343215551.db2.gz WIKJDOZPWMDERD-NSHDSACASA-N -1 3 241.237 2.167 20 0 BEADHM CC(C)[C@@H](C)N(C)Cc1cc(C(=O)[O-])co1 ZINC000051330404 343256211 /nfs/dbraw/zinc/25/62/11/343256211.db2.gz XAPSSVHCTZSQOK-SECBINFHSA-N -1 3 225.288 2.454 20 0 BEADHM O=C(Cc1cncc([O-])c1)NCCCC1CCC1 ZINC000618615099 343327549 /nfs/dbraw/zinc/32/75/49/343327549.db2.gz WPRUGXHPLORQOH-UHFFFAOYSA-N -1 3 248.326 2.026 20 0 BEADHM CCN(C(=O)c1cccc(C)c1[O-])C1CC1 ZINC000037023085 343331309 /nfs/dbraw/zinc/33/13/09/343331309.db2.gz KDNKMHWPXXNJHL-UHFFFAOYSA-N -1 3 219.284 2.325 20 0 BEADHM CCCN(CC1CC1)C(=O)c1csc(=O)[n-]1 ZINC000348936042 136309365 /nfs/dbraw/zinc/30/93/65/136309365.db2.gz WFEIOTLUYIDNOT-UHFFFAOYSA-N -1 3 240.328 2.111 20 0 BEADHM CCCCN(CC)C(=O)c1csc(=O)[n-]1 ZINC000348977121 136313743 /nfs/dbraw/zinc/31/37/43/136313743.db2.gz QHMRPHPACNFZFG-UHFFFAOYSA-N -1 3 228.317 2.111 20 0 BEADHM Cc1ccc(NC(=O)C2CCOCC2)c([O-])c1 ZINC000040418503 343402603 /nfs/dbraw/zinc/40/26/03/343402603.db2.gz YMUMNTOXLKPYCO-UHFFFAOYSA-N -1 3 235.283 2.066 20 0 BEADHM C[C@H]1CCCCN(C(=O)c2csc(=O)[n-]2)C1 ZINC000335693014 136325797 /nfs/dbraw/zinc/32/57/97/136325797.db2.gz CKZASFNTJMAXHF-QMMMGPOBSA-N -1 3 240.328 2.111 20 0 BEADHM Cc1cc(C(=O)N[C@H]2CC[C@@H](F)C2)ccc1[O-] ZINC000335695506 136326524 /nfs/dbraw/zinc/32/65/24/136326524.db2.gz AXHWWVKPVAKWBM-MNOVXSKESA-N -1 3 237.274 2.321 20 0 BEADHM Cc1cscc1C(=O)NCc1ncccc1[O-] ZINC000335735316 136350418 /nfs/dbraw/zinc/35/04/18/136350418.db2.gz XLLXKAMXHPEYCW-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM C[C@@H](O)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000335702173 136334482 /nfs/dbraw/zinc/33/44/82/136334482.db2.gz ONLLUOZBJDDZQW-MRVPVSSYSA-N -1 3 237.299 2.009 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC[C@@H]2C[C@H]2C)c1 ZINC000043115452 343463626 /nfs/dbraw/zinc/46/36/26/343463626.db2.gz ZBWSMDYELUYMRK-ZJUUUORDSA-N -1 3 219.284 2.086 20 0 BEADHM COc1csc(C(=O)[N-]c2cc(C)on2)c1 ZINC000176446749 365763390 /nfs/dbraw/zinc/76/33/90/365763390.db2.gz NCQWMHWZJMTEMG-UHFFFAOYSA-N -1 3 238.268 2.305 20 0 BEADHM O=C(Nc1nc(C2CC2)c[nH]1)c1cccc([O-])c1 ZINC000622741569 343597952 /nfs/dbraw/zinc/59/79/52/343597952.db2.gz JABUNRPTKGYRQV-UHFFFAOYSA-N -1 3 243.266 2.245 20 0 BEADHM CCc1cc(C(=O)N(C)C(C)C)ccc1[O-] ZINC000291441147 187348056 /nfs/dbraw/zinc/34/80/56/187348056.db2.gz IUVWCDIMWSOGKL-UHFFFAOYSA-N -1 3 221.300 2.435 20 0 BEADHM CN(CC(C)(C)C)C(=O)/C=C/c1cncc([O-])c1 ZINC000493117990 529843738 /nfs/dbraw/zinc/84/37/38/529843738.db2.gz LIPOMSVCPFWBOU-AATRIKPKSA-N -1 3 248.326 2.305 20 0 BEADHM CC(C)c1ccc(C(=O)N(C)C)c([O-])c1 ZINC000075775973 187278194 /nfs/dbraw/zinc/27/81/94/187278194.db2.gz JFQMJBRPADLOOS-UHFFFAOYSA-N -1 3 207.273 2.217 20 0 BEADHM O=c1cc(CN(C2CC2)C2CC2)nc(C2CC2)[n-]1 ZINC000625841782 344093260 /nfs/dbraw/zinc/09/32/60/344093260.db2.gz PYTVYKUTUHBLPZ-UHFFFAOYSA-N -1 3 245.326 2.186 20 0 BEADHM C/C=C/CNC(=O)c1cc(C)ccc1[O-] ZINC000385012004 344294671 /nfs/dbraw/zinc/29/46/71/344294671.db2.gz NLXCWNVNGUTAAZ-ONEGZZNKSA-N -1 3 205.257 2.007 20 0 BEADHM Cc1cccc(CN2CCC[C@](C)(C(=O)[O-])C2)n1 ZINC000092431032 344295154 /nfs/dbraw/zinc/29/51/54/344295154.db2.gz IGZRGDFETQKRRA-AWEZNQCLSA-N -1 3 248.326 2.077 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000625912870 344560788 /nfs/dbraw/zinc/56/07/88/344560788.db2.gz LDSGETYMWFASFV-QWRGUYRKSA-N -1 3 233.311 2.429 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2nccs2)n1 ZINC000672776494 488266058 /nfs/dbraw/zinc/26/60/58/488266058.db2.gz RUESASVDEFQHCU-NSCUHMNNSA-N -1 3 219.269 2.118 20 0 BEADHM [O-]c1ccccc1Sc1ncccn1 ZINC000050047161 344620943 /nfs/dbraw/zinc/62/09/43/344620943.db2.gz BPPFNHNXRCVPSL-UHFFFAOYSA-N -1 3 204.254 2.333 20 0 BEADHM C[C@@H]1CC[C@H](C)N1C(=O)c1ccccc1[O-] ZINC000162435963 323076561 /nfs/dbraw/zinc/07/65/61/323076561.db2.gz MKZGCLCPXMNKAN-AOOOYVTPSA-N -1 3 219.284 2.405 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000425152621 192077736 /nfs/dbraw/zinc/07/77/36/192077736.db2.gz IFCCWHBYRHTOSK-ZSBIGDGJSA-N -1 3 245.322 2.483 20 0 BEADHM CCc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c([O-])c1 ZINC000425153607 192077753 /nfs/dbraw/zinc/07/77/53/192077753.db2.gz JIVVXHGDZQXUJN-ZSBIGDGJSA-N -1 3 245.322 2.483 20 0 BEADHM COc1cc(C(=O)NCC2CC(C)C2)ccc1[O-] ZINC000623040485 347080434 /nfs/dbraw/zinc/08/04/34/347080434.db2.gz YYTROOKTNJOAEJ-UHFFFAOYSA-N -1 3 249.310 2.177 20 0 BEADHM C[C@H]1CCCC[C@H]1CSCCc1nnn[n-]1 ZINC000603342259 349920244 /nfs/dbraw/zinc/92/02/44/349920244.db2.gz WSRJVGWDANNIAP-UWVGGRQHSA-N -1 3 240.376 2.302 20 0 BEADHM C[C@H]1CCCC[C@H]1CSCCc1nn[n-]n1 ZINC000603342259 349920245 /nfs/dbraw/zinc/92/02/45/349920245.db2.gz WSRJVGWDANNIAP-UWVGGRQHSA-N -1 3 240.376 2.302 20 0 BEADHM Cc1ccc([O-])c(NC(=O)CC(C)(F)F)n1 ZINC000277370611 178800149 /nfs/dbraw/zinc/80/01/49/178800149.db2.gz VLVUUNOVGDVQCR-UHFFFAOYSA-N -1 3 230.214 2.079 20 0 BEADHM Cc1occc1C(=O)Nc1nc(C)ccc1[O-] ZINC000336620161 178801756 /nfs/dbraw/zinc/80/17/56/178801756.db2.gz AOUZHXTZBDQANT-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM CC(C)(C)OCC(=O)Nc1ccc([O-])cc1F ZINC000154653895 345046296 /nfs/dbraw/zinc/04/62/96/345046296.db2.gz ZJYBASLLWXNOBE-UHFFFAOYSA-N -1 3 241.262 2.285 20 0 BEADHM CS[C@@H](C)C(=O)Nc1cccc([O-])c1F ZINC000128304792 345229376 /nfs/dbraw/zinc/22/93/76/345229376.db2.gz ZVZCGLAUGUBZAB-LURJTMIESA-N -1 3 229.276 2.221 20 0 BEADHM CCc1cccc(CSCCc2nnn[n-]2)c1 ZINC000603339018 349929480 /nfs/dbraw/zinc/92/94/80/349929480.db2.gz BEKLDUKJUGBPGY-UHFFFAOYSA-N -1 3 248.355 2.238 20 0 BEADHM CCc1cccc(CSCCc2nn[n-]n2)c1 ZINC000603339018 349929481 /nfs/dbraw/zinc/92/94/81/349929481.db2.gz BEKLDUKJUGBPGY-UHFFFAOYSA-N -1 3 248.355 2.238 20 0 BEADHM CCc1cccc(C(=O)NC(C)(C)C)c1[O-] ZINC000093918038 345667903 /nfs/dbraw/zinc/66/79/03/345667903.db2.gz SDQRSRXIURVFJU-UHFFFAOYSA-N -1 3 221.300 2.483 20 0 BEADHM CC(C)=C(C)CC(=O)NCc1ncccc1[O-] ZINC000635878251 346096668 /nfs/dbraw/zinc/09/66/68/346096668.db2.gz SMBAQWJQEKTDLW-UHFFFAOYSA-N -1 3 234.299 2.150 20 0 BEADHM Cc1cccc(C(=O)N(C)CC(F)F)c1[O-] ZINC000103399161 179003908 /nfs/dbraw/zinc/00/39/08/179003908.db2.gz HTHWMTJNIBIXDS-UHFFFAOYSA-N -1 3 229.226 2.038 20 0 BEADHM Cc1cccc(C(=O)N2CCC=C(F)C2)c1[O-] ZINC000273047846 179007563 /nfs/dbraw/zinc/00/75/63/179007563.db2.gz HGNVTHHVIKVLQO-UHFFFAOYSA-N -1 3 235.258 2.400 20 0 BEADHM Cc1cccc(C(=O)N2C[C@H](C)[C@@H](C)C2)c1[O-] ZINC000091439035 179013835 /nfs/dbraw/zinc/01/38/35/179013835.db2.gz QTAZECCBAPRHNH-QWRGUYRKSA-N -1 3 233.311 2.429 20 0 BEADHM Cc1cccc(C(=O)NC(C)(C)C)c1[O-] ZINC000019837035 179014079 /nfs/dbraw/zinc/01/40/79/179014079.db2.gz ACTAKQDEUZTQFO-UHFFFAOYSA-N -1 3 207.273 2.229 20 0 BEADHM Cc1cccc(C(=O)NCC(=O)C(C)(C)C)c1[O-] ZINC000086512405 179015183 /nfs/dbraw/zinc/01/51/83/179015183.db2.gz VRRVHVZQXRNHLL-UHFFFAOYSA-N -1 3 249.310 2.046 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C2=CCCC2)n1 ZINC000336252877 187366170 /nfs/dbraw/zinc/36/61/70/187366170.db2.gz SISALFMBJPAFDE-UHFFFAOYSA-N -1 3 218.256 2.144 20 0 BEADHM Cc1cccc(C(=O)N2OC3CCC2CC3)c1[O-] ZINC000636408237 346485134 /nfs/dbraw/zinc/48/51/34/346485134.db2.gz OKORVVDZSWPRFP-UHFFFAOYSA-N -1 3 247.294 2.399 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2OC3CCC2CC3)c1 ZINC000636408055 346485524 /nfs/dbraw/zinc/48/55/24/346485524.db2.gz HDCFBYXIWQACKW-UHFFFAOYSA-N -1 3 247.294 2.399 20 0 BEADHM COc1ccc(NC(=O)CCC(F)F)c([O-])c1 ZINC000684490819 488321497 /nfs/dbraw/zinc/32/14/97/488321497.db2.gz SIIUFHZMKJYNBK-UHFFFAOYSA-N -1 3 245.225 2.385 20 0 BEADHM Cc1cccc(F)c1S(=O)(=O)[N-]CC(C)C ZINC000186008799 179111586 /nfs/dbraw/zinc/11/15/86/179111586.db2.gz PJKPRTUCJLNMQF-UHFFFAOYSA-N -1 3 245.319 2.068 20 0 BEADHM CC[C@@H](C)[C@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000187473605 346579271 /nfs/dbraw/zinc/57/92/71/346579271.db2.gz BWELHIBMGJFADD-BDAKNGLRSA-N -1 3 246.314 2.122 20 0 BEADHM CC[C@@H](C)[C@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000187473605 346579273 /nfs/dbraw/zinc/57/92/73/346579273.db2.gz BWELHIBMGJFADD-BDAKNGLRSA-N -1 3 246.314 2.122 20 0 BEADHM CC[C@@H](C)[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000187473605 346579276 /nfs/dbraw/zinc/57/92/76/346579276.db2.gz BWELHIBMGJFADD-BDAKNGLRSA-N -1 3 246.314 2.122 20 0 BEADHM COC(=O)c1ccc(-c2nc(C3CCC3)no2)[n-]1 ZINC000589949474 346756540 /nfs/dbraw/zinc/75/65/40/346756540.db2.gz ONQFEVRWXCCNEV-UHFFFAOYSA-N -1 3 247.254 2.119 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000357469137 179159903 /nfs/dbraw/zinc/15/99/03/179159903.db2.gz CQQRKBHUCQCNLV-IRUJWGPZSA-N -1 3 247.294 2.064 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCC[C@H](O)C1 ZINC000336432941 179159961 /nfs/dbraw/zinc/15/99/61/179159961.db2.gz YEZRYCDZETUFKA-MNOVXSKESA-N -1 3 249.310 2.190 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000097233774 179160278 /nfs/dbraw/zinc/16/02/78/179160278.db2.gz OYVPWBHSUFFLKZ-FOGDFJRCSA-N -1 3 247.294 2.207 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCCOC1 ZINC000183076495 179160791 /nfs/dbraw/zinc/16/07/91/179160791.db2.gz CPBXGAQPFKNPEJ-JTQLQIEISA-N -1 3 235.283 2.066 20 0 BEADHM Cc1cccc([O-])c1NC(=O)C[C@](C)(O)C1CC1 ZINC000272566158 179161050 /nfs/dbraw/zinc/16/10/50/179161050.db2.gz UTAHDMHDOKFEFK-AWEZNQCLSA-N -1 3 249.310 2.190 20 0 BEADHM Cc1cccc([O-])c1NC(=O)CC1CC1 ZINC000272369423 179161174 /nfs/dbraw/zinc/16/11/74/179161174.db2.gz APNVYOUOQOUVOU-UHFFFAOYSA-N -1 3 205.257 2.439 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCO[C@H](C)C1 ZINC000272471559 179161339 /nfs/dbraw/zinc/16/13/39/179161339.db2.gz LIGZPMSVAPNMRY-GHMZBOCLSA-N -1 3 249.310 2.454 20 0 BEADHM Cc1cccc(OCCC(=O)[N-]OCC2CC2)c1 ZINC000293900312 179165216 /nfs/dbraw/zinc/16/52/16/179165216.db2.gz ZQUCOIQWZPVQHM-UHFFFAOYSA-N -1 3 249.310 2.222 20 0 BEADHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000192888623 365873652 /nfs/dbraw/zinc/87/36/52/365873652.db2.gz NPJDYISOPKIHHV-AOOOYVTPSA-N -1 3 249.310 2.216 20 0 BEADHM Cc1cccc2c(CC(=O)[N-]OC(C)C)c[nH]c21 ZINC000295560100 179209372 /nfs/dbraw/zinc/20/93/72/179209372.db2.gz MUTHDOCGILFRFE-UHFFFAOYSA-N -1 3 246.310 2.475 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC(C)(C)C ZINC000623720686 347417193 /nfs/dbraw/zinc/41/71/93/347417193.db2.gz UPALIIZPLTYDFN-UHFFFAOYSA-N -1 3 207.273 2.229 20 0 BEADHM COC1(C(=O)Nc2ccc([O-])cc2Cl)CC1 ZINC000616942771 347511510 /nfs/dbraw/zinc/51/15/10/347511510.db2.gz CGSUJVITZYFOEW-UHFFFAOYSA-N -1 3 241.674 2.163 20 0 BEADHM C=Cn1cc(CNCc2ccc([O-])c(F)c2)cn1 ZINC000194326673 347531465 /nfs/dbraw/zinc/53/14/65/347531465.db2.gz KDKXUJZGZATSAR-UHFFFAOYSA-N -1 3 247.273 2.118 20 0 BEADHM C[C@@H]1C[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000129416313 490141009 /nfs/dbraw/zinc/14/10/09/490141009.db2.gz KPKRKTKRXKYKNS-RNFRBKRXSA-N -1 3 209.220 2.126 20 0 BEADHM Cc1ccoc1C[N-]c1nnc([C@@H]2CCCO2)o1 ZINC000272208692 179533494 /nfs/dbraw/zinc/53/34/94/179533494.db2.gz IRIOBHJDYIQCKU-VIFPVBQESA-N -1 3 249.270 2.435 20 0 BEADHM Cc1ccc(NC(=O)[C@H]2CCCCN2C)c([O-])c1 ZINC000599297196 349150167 /nfs/dbraw/zinc/15/01/67/349150167.db2.gz SZFYNJOJIHRPMU-GFCCVEGCSA-N -1 3 248.326 2.123 20 0 BEADHM Cc1csc(S(=O)(=O)[N-]CC2CCC2)c1 ZINC000336254024 179790930 /nfs/dbraw/zinc/79/09/30/179790930.db2.gz IRVPVHPOTMIMJN-UHFFFAOYSA-N -1 3 245.369 2.135 20 0 BEADHM CSC[C@@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000599535406 349211705 /nfs/dbraw/zinc/21/17/05/349211705.db2.gz MOYLWZNIVGQWMB-SECBINFHSA-N -1 3 239.340 2.182 20 0 BEADHM CN(Cc1ccc(F)cc1F)C(C)(C)C(=O)[O-] ZINC000061171599 349364042 /nfs/dbraw/zinc/36/40/42/349364042.db2.gz PBHBOYSGMIECEQ-UHFFFAOYSA-N -1 3 243.253 2.260 20 0 BEADHM C[C@@H](SCCc1nnn[n-]1)c1ccccc1 ZINC000095230355 349370490 /nfs/dbraw/zinc/37/04/90/349370490.db2.gz LVMQCRVWTUMLRS-SECBINFHSA-N -1 3 234.328 2.237 20 0 BEADHM C[C@@H](SCCc1nn[n-]n1)c1ccccc1 ZINC000095230355 349370494 /nfs/dbraw/zinc/37/04/94/349370494.db2.gz LVMQCRVWTUMLRS-SECBINFHSA-N -1 3 234.328 2.237 20 0 BEADHM O=[S@](CC1CCC1)c1ccc([O-])cc1 ZINC000601912589 349378062 /nfs/dbraw/zinc/37/80/62/349378062.db2.gz OEVYTZCJBMECNP-CQSZACIVSA-N -1 3 210.298 2.300 20 0 BEADHM Cc1ncc(/C=C/C(=O)[N-]OCC(C)C)s1 ZINC000153301889 180122781 /nfs/dbraw/zinc/12/27/81/180122781.db2.gz QKMSPTXWUATLSU-SNAWJCMRSA-N -1 3 240.328 2.169 20 0 BEADHM Cc1cccc(C(=O)N(C)CC(F)(F)F)c1[O-] ZINC000037501984 323289799 /nfs/dbraw/zinc/28/97/99/323289799.db2.gz KLUQNGRFECLMOB-UHFFFAOYSA-N -1 3 247.216 2.335 20 0 BEADHM CCN(CC(=O)[O-])Cc1ccc(F)cc1Cl ZINC000038017872 350299511 /nfs/dbraw/zinc/29/95/11/350299511.db2.gz VPGXNBJJLAOLDH-UHFFFAOYSA-N -1 3 245.681 2.386 20 0 BEADHM Cc1cccc([O-])c1C(=O)N(C)C(C)C ZINC000623830922 350312713 /nfs/dbraw/zinc/31/27/13/350312713.db2.gz ISWILMKASVPQFB-UHFFFAOYSA-N -1 3 207.273 2.181 20 0 BEADHM O=C(N[C@]12C[C@H]1CCC2)c1cccc([O-])c1 ZINC000617195657 350316633 /nfs/dbraw/zinc/31/66/33/350316633.db2.gz QBBDYKPUEVSKLM-ZWNOBZJWSA-N -1 3 217.268 2.065 20 0 BEADHM O=C(N[C@@]12C[C@@H]1CCC2)c1ccccc1[O-] ZINC000617201604 350335631 /nfs/dbraw/zinc/33/56/31/350335631.db2.gz FHZMEGIXSIICTG-ZANVPECISA-N -1 3 217.268 2.065 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@]23C[C@H]2CCC3)c1 ZINC000617203189 350349759 /nfs/dbraw/zinc/34/97/59/350349759.db2.gz YQHMGCAYIAPVIN-QMTHXVAHSA-N -1 3 231.295 2.373 20 0 BEADHM Cc1ncsc1CNC(=O)c1cccc([O-])c1 ZINC000071213695 180320575 /nfs/dbraw/zinc/32/05/75/180320575.db2.gz SMPLSLWUJBIASO-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000032400626 350421026 /nfs/dbraw/zinc/42/10/26/350421026.db2.gz HPCGTVBSUGMBDK-SECBINFHSA-N -1 3 245.319 2.211 20 0 BEADHM CC(C)CO[N-]C(=O)c1ccnc(Cl)c1F ZINC000164821024 191123124 /nfs/dbraw/zinc/12/31/24/191123124.db2.gz ISDICEDZSWELKK-UHFFFAOYSA-N -1 3 246.669 2.192 20 0 BEADHM Cc1sccc1CN1CCC[C@@H]1C(=O)[O-] ZINC000306726552 350896593 /nfs/dbraw/zinc/89/65/93/350896593.db2.gz MDNMOILOOWORKG-SNVBAGLBSA-N -1 3 225.313 2.106 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CC=CCC1 ZINC000626389027 351026660 /nfs/dbraw/zinc/02/66/60/351026660.db2.gz VQPIRRXARWORQC-UHFFFAOYSA-N -1 3 217.268 2.103 20 0 BEADHM Cc1n[nH]c(C)c1NC(=O)c1cc(C)ccc1[O-] ZINC000036734117 358462613 /nfs/dbraw/zinc/46/26/13/358462613.db2.gz FYIBTUNBFPRODE-UHFFFAOYSA-N -1 3 245.282 2.293 20 0 BEADHM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000286762825 352104578 /nfs/dbraw/zinc/10/45/78/352104578.db2.gz PVFABCFMYUEWBV-QMMMGPOBSA-N -1 3 245.369 2.215 20 0 BEADHM C[C@H]1C[C@@H]1c1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000335963783 538102086 /nfs/dbraw/zinc/10/20/86/538102086.db2.gz BCGNQBIBOLYGRX-XPUUQOCRSA-N -1 3 216.240 2.164 20 0 BEADHM C[C@@H]1C[C@H]1c1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000335963780 538102121 /nfs/dbraw/zinc/10/21/21/538102121.db2.gz BCGNQBIBOLYGRX-HTRCEHHLSA-N -1 3 216.240 2.164 20 0 BEADHM C[C@@H](CC(F)F)C(=O)Nc1ncccc1[O-] ZINC000411188968 191167107 /nfs/dbraw/zinc/16/71/07/191167107.db2.gz RUIQEUZOPAFTSR-LURJTMIESA-N -1 3 230.214 2.017 20 0 BEADHM O=C(Cc1ccco1)Nc1cc(F)ccc1[O-] ZINC000336113881 538103101 /nfs/dbraw/zinc/10/31/01/538103101.db2.gz XASFBNXZIWEMIT-UHFFFAOYSA-N -1 3 235.214 2.306 20 0 BEADHM O=C(Nc1ccccc1[O-])c1cncs1 ZINC000334214070 352812687 /nfs/dbraw/zinc/81/26/87/352812687.db2.gz FCMQIKDICFTJBK-UHFFFAOYSA-N -1 3 220.253 2.101 20 0 BEADHM Cc1ncsc1NC(=O)c1cccc([O-])c1 ZINC000334190907 352781061 /nfs/dbraw/zinc/78/10/61/352781061.db2.gz IJMHNCQSOJSMDX-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H]2C)c1 ZINC000334192614 352783529 /nfs/dbraw/zinc/78/35/29/352783529.db2.gz IDBAPZVQSNHHDD-UWVGGRQHSA-N -1 3 233.311 2.435 20 0 BEADHM O=C(Nc1ncccc1[O-])c1cc[nH]c1C1CC1 ZINC000334199570 352792393 /nfs/dbraw/zinc/79/23/93/352792393.db2.gz NPEHHIXDBYVYTH-UHFFFAOYSA-N -1 3 243.266 2.245 20 0 BEADHM Cc1ccc([O-])c(CNc2cncc(F)c2)n1 ZINC000302352416 188006078 /nfs/dbraw/zinc/00/60/78/188006078.db2.gz LJCDZSWDUZROFZ-UHFFFAOYSA-N -1 3 233.246 2.242 20 0 BEADHM CC(C)[C@H](C)CC(=O)[N-]OC/C=C/Cl ZINC000291701112 188036866 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/nfs/dbraw/zinc/30/16/17/188301617.db2.gz WXLMZTSIVTYDDH-GXSJLCMTSA-N -1 3 237.299 2.310 20 0 BEADHM COc1ccc([O-])c(C(=O)N(C)[C@@H](C)C2CC2)c1 ZINC000053674261 188259340 /nfs/dbraw/zinc/25/93/40/188259340.db2.gz WWYAULXCODIJPX-VIFPVBQESA-N -1 3 249.310 2.271 20 0 BEADHM [O-]c1cccnc1CNCc1ccc(Cl)o1 ZINC000310038704 188347478 /nfs/dbraw/zinc/34/74/78/188347478.db2.gz WIUBNVBKLCNNTH-UHFFFAOYSA-N -1 3 238.674 2.323 20 0 BEADHM C[C@@H](c1cccnc1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421197 538116034 /nfs/dbraw/zinc/11/60/34/538116034.db2.gz NDQRDKDUUVTXHI-RYUDHWBXSA-N -1 3 248.326 2.329 20 0 BEADHM CC(C)N(C)Cc1cc(C(=O)[O-])ccc1F ZINC000062750799 188361839 /nfs/dbraw/zinc/36/18/39/188361839.db2.gz PNRSSSCLYUNXNQ-UHFFFAOYSA-N -1 3 225.263 2.364 20 0 BEADHM CC[C@H]1CCN1C(=O)c1cccc(OC)c1[O-] ZINC000293986755 188392616 /nfs/dbraw/zinc/39/26/16/188392616.db2.gz LGLFPULMZPQUMF-VIFPVBQESA-N -1 3 235.283 2.025 20 0 BEADHM Cc1cc(C(=O)NCCC2CC2)ccc1[O-] ZINC000227035585 491054188 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354689407 /nfs/dbraw/zinc/68/94/07/354689407.db2.gz RLESPSPFGJBKRP-CYBMUJFWSA-N -1 3 237.274 2.275 20 0 BEADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1nc(C)ccc1[O-] ZINC000345922842 354826941 /nfs/dbraw/zinc/82/69/41/354826941.db2.gz GORCBMPYGYJSBR-RNCFNFMXSA-N -1 3 234.299 2.470 20 0 BEADHM Cc1cccc(C(=O)Nc2nc(C)ccc2[O-])n1 ZINC000345975227 354830614 /nfs/dbraw/zinc/83/06/14/354830614.db2.gz FSGOPDTXOABNSK-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM Cc1ccc([O-])c(NC(=O)CC2(C)CC2)n1 ZINC000335232514 355093287 /nfs/dbraw/zinc/09/32/87/355093287.db2.gz VDJORULZVFKRHK-UHFFFAOYSA-N -1 3 220.272 2.224 20 0 BEADHM CN(Cc1cccs1)[C@H](C(=O)[O-])C1CC1 ZINC000084093449 355288731 /nfs/dbraw/zinc/28/87/31/355288731.db2.gz OKLDCZVYUFGIPU-JTQLQIEISA-N -1 3 225.313 2.043 20 0 BEADHM CCc1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000349765598 355441749 /nfs/dbraw/zinc/44/17/49/355441749.db2.gz RFLXSVJLCCAYNC-UHFFFAOYSA-N -1 3 241.254 2.084 20 0 BEADHM COc1cc(C(=O)N2C[C@H](C)C[C@H]2C)ccc1[O-] ZINC000335801043 355494742 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INDVSBNIIWQYGG-UHFFFAOYSA-N -1 3 243.253 2.428 20 0 BEADHM Cc1ccc([O-])c(-c2nc(-c3cocn3)no2)c1 ZINC000350870052 366357337 /nfs/dbraw/zinc/35/73/37/366357337.db2.gz ALRRIRZRNNHDPP-UHFFFAOYSA-N -1 3 243.222 2.406 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CCCCC1 ZINC000623343479 356746104 /nfs/dbraw/zinc/74/61/04/356746104.db2.gz WEBJLXJMJMXWDE-UHFFFAOYSA-N -1 3 219.284 2.327 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCc2ccncc2)c1 ZINC000020557311 357013837 /nfs/dbraw/zinc/01/38/37/357013837.db2.gz BRHHLDKRJWWULA-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM O=C(Nc1cncnc1)c1cc([O-])ccc1Cl ZINC000232090120 357643425 /nfs/dbraw/zinc/64/34/25/357643425.db2.gz NEZDUFVJMLXLGB-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM Cc1ccc([O-])c(CNc2cccnc2)n1 ZINC000085971864 357706864 /nfs/dbraw/zinc/70/68/64/357706864.db2.gz CAEQXKWMQOUXPP-UHFFFAOYSA-N -1 3 215.256 2.103 20 0 BEADHM Cc1ccc(C(=O)Nc2ncccc2[O-])cc1O ZINC000191596011 357786376 /nfs/dbraw/zinc/78/63/76/357786376.db2.gz OTWVLIWTAOTYLX-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM CC[C@]1(C)CCN(c2ccncc2C(=O)[O-])C1 ZINC000399419678 357906524 /nfs/dbraw/zinc/90/65/24/357906524.db2.gz JHFKBYXCCFNFKU-CYBMUJFWSA-N -1 3 234.299 2.406 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C(C)(C)C)o1 ZINC000584474280 357991350 /nfs/dbraw/zinc/99/13/50/357991350.db2.gz KUJZISGBRFAROH-SECBINFHSA-N -1 3 245.344 2.301 20 0 BEADHM CC[C@H](C)CN(C)Cc1occc1C(=O)[O-] ZINC000035433051 357992320 /nfs/dbraw/zinc/99/23/20/357992320.db2.gz OPROUFLIEPVBAD-VIFPVBQESA-N -1 3 225.288 2.456 20 0 BEADHM CCCN(Cc1ccc(C(=O)[O-])o1)C1CC1 ZINC000037097541 358065135 /nfs/dbraw/zinc/06/51/35/358065135.db2.gz IOOCIKZVPLXYGF-UHFFFAOYSA-N -1 3 223.272 2.352 20 0 BEADHM [O-]c1ccc(-c2noc(C[C@@H]3CCOC3)n2)cc1 ZINC000350563957 358089830 /nfs/dbraw/zinc/08/98/30/358089830.db2.gz DHYIMGMOIHXPBN-VIFPVBQESA-N -1 3 246.266 2.021 20 0 BEADHM C[C@@H](NCc1ncccc1[O-])c1cccc(O)c1 ZINC000584866942 358207612 /nfs/dbraw/zinc/20/76/12/358207612.db2.gz YLFHNCRBMSKLPF-SNVBAGLBSA-N -1 3 244.294 2.344 20 0 BEADHM Cc1cncc(CN2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC000228613589 358381673 /nfs/dbraw/zinc/38/16/73/358381673.db2.gz NYXPBOFHHGOWAY-CQSZACIVSA-N -1 3 248.326 2.077 20 0 BEADHM CC(C)(C)CC[N-]S(=O)(=O)c1cccs1 ZINC000030372001 358447176 /nfs/dbraw/zinc/44/71/76/358447176.db2.gz JYBDIKRREDQWGE-UHFFFAOYSA-N -1 3 247.385 2.463 20 0 BEADHM Cc1cccc(C(=O)Nc2ccccc2[O-])n1 ZINC000048425358 358634964 /nfs/dbraw/zinc/63/49/64/358634964.db2.gz JESDMFVCLJJLGW-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM CC(C)(C)C[N-]S(=O)(=O)c1ccccc1F ZINC000040494841 358762497 /nfs/dbraw/zinc/76/24/97/358762497.db2.gz VGJYADIXXVNHHZ-UHFFFAOYSA-N -1 3 245.319 2.150 20 0 BEADHM O=C([O-])CC[C@@H]1CCCCN1Cc1ccccn1 ZINC000050924743 358739135 /nfs/dbraw/zinc/73/91/35/358739135.db2.gz XRJDIHJVILHWHY-ZDUSSCGKSA-N -1 3 248.326 2.301 20 0 BEADHM O=C([N-]c1cc(F)ccc1F)c1cocn1 ZINC000105362621 358900308 /nfs/dbraw/zinc/90/03/08/358900308.db2.gz ABYUZRCTOLDYOL-UHFFFAOYSA-N -1 3 224.166 2.205 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@H](C)CC2CC2)c1 ZINC000070104957 359041944 /nfs/dbraw/zinc/04/19/44/359041944.db2.gz PLYZFBHMQJVKHW-SECBINFHSA-N -1 3 249.310 2.319 20 0 BEADHM CCn1cnc(C(=O)Nc2ccc([O-])cc2F)c1 ZINC000622495298 359509217 /nfs/dbraw/zinc/50/92/17/359509217.db2.gz TXVLHCRLZFGYSB-UHFFFAOYSA-N -1 3 249.245 2.000 20 0 BEADHM CN(C)Cc1cccc([O-])c1Br ZINC000306312656 359592893 /nfs/dbraw/zinc/59/28/93/359592893.db2.gz NSIJGGWOXDFVKD-UHFFFAOYSA-N -1 3 230.105 2.216 20 0 BEADHM O=C([O-])C1(CN2CCc3ccc(F)cc3C2)CC1 ZINC000578448280 366570985 /nfs/dbraw/zinc/57/09/85/366570985.db2.gz PEARMYMMVYNZHJ-UHFFFAOYSA-N -1 3 249.285 2.049 20 0 BEADHM Cc1csc(S(=O)(=O)[N-]CC(C)(C)C)c1 ZINC000451102930 202351549 /nfs/dbraw/zinc/35/15/49/202351549.db2.gz LOAUXTDBLODHNF-UHFFFAOYSA-N -1 3 247.385 2.381 20 0 BEADHM CCCCCS(=O)(=O)[N-][C@H](CC)C(F)F ZINC000451084975 202342626 /nfs/dbraw/zinc/34/26/26/202342626.db2.gz RVJFTQJPMBSAAC-MRVPVSSYSA-N -1 3 243.319 2.140 20 0 BEADHM CCC1CCN(Cc2ncccc2[O-])CC1 ZINC000578801172 366650572 /nfs/dbraw/zinc/65/05/72/366650572.db2.gz TZMYGJOCNUXMJC-UHFFFAOYSA-N -1 3 220.316 2.409 20 0 BEADHM Cc1ccc([O-])c(CNc2cnccc2C)n1 ZINC000091995452 360144705 /nfs/dbraw/zinc/14/47/05/360144705.db2.gz CNLMHTZTMSITKM-UHFFFAOYSA-N -1 3 229.283 2.411 20 0 BEADHM Cc1cc(C(=O)Nc2ccccc2[O-])ns1 ZINC000096782575 360354243 /nfs/dbraw/zinc/35/42/43/360354243.db2.gz IKTNXIMDJSMHNZ-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000614164217 363727792 /nfs/dbraw/zinc/72/77/92/363727792.db2.gz LBSWFMRZXLHNGL-HBNTYKKESA-N -1 3 246.310 2.470 20 0 BEADHM Cc1cc(C(=O)N(C2CC2)C2CC2)ccc1[O-] ZINC000628815298 360666748 /nfs/dbraw/zinc/66/67/48/360666748.db2.gz RQMCHGGGBDCOAK-UHFFFAOYSA-N -1 3 231.295 2.468 20 0 BEADHM C/C=C/CNC(=O)c1cc(SC)ccc1[O-] ZINC000629032260 360811432 /nfs/dbraw/zinc/81/14/32/360811432.db2.gz YWDYKFVFSDYNOU-ONEGZZNKSA-N -1 3 237.324 2.420 20 0 BEADHM CCC[C@H](CC)[N-]S(=O)(=O)c1cscn1 ZINC000578983962 366686082 /nfs/dbraw/zinc/68/60/82/366686082.db2.gz DBIPLDJHMBGMPH-QMMMGPOBSA-N -1 3 248.373 2.000 20 0 BEADHM CC(C)[C@@H](C)C(=O)Nc1cccc2n[n-]nc21 ZINC000640380640 361189958 /nfs/dbraw/zinc/18/99/58/361189958.db2.gz VYMRXPMDMFSRQO-MRVPVSSYSA-N -1 3 232.287 2.189 20 0 BEADHM Cc1nc(C(=O)[N-]c2conc2C)c(C)s1 ZINC000640487506 361280039 /nfs/dbraw/zinc/28/00/39/361280039.db2.gz MNFGDZCLFHXCPM-UHFFFAOYSA-N -1 3 237.284 2.309 20 0 BEADHM Cc1ccc(F)c(CN[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC000578995345 366689919 /nfs/dbraw/zinc/68/99/19/366689919.db2.gz JBUFBWVMBUCXEP-UWVGGRQHSA-N -1 3 239.290 2.333 20 0 BEADHM CC(C)(C)Cn1[n-]c(=O)c2ccccc2c1=O ZINC000614185146 363747618 /nfs/dbraw/zinc/74/76/18/363747618.db2.gz KLUAPIDHHWEOLX-UHFFFAOYSA-N -1 3 232.283 2.148 20 0 BEADHM C[C@H]1C[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000082879315 491157244 /nfs/dbraw/zinc/15/72/44/491157244.db2.gz KGEKQXBDDUKNLV-POYBYMJQSA-N -1 3 209.220 2.126 20 0 BEADHM CCc1cc(=O)[n-]c(CN(C)C2CC(C)(C)C2)n1 ZINC000448556688 201262368 /nfs/dbraw/zinc/26/23/68/201262368.db2.gz QPMQUSGIQPVRLS-UHFFFAOYSA-N -1 3 249.358 2.365 20 0 BEADHM O=[S@](CCC(F)(F)F)c1ccc([O-])cc1 ZINC000435438387 201272281 /nfs/dbraw/zinc/27/22/81/201272281.db2.gz PKKPLDBKLZWVNE-OAHLLOKOSA-N -1 3 238.230 2.452 20 0 BEADHM CCC(CC)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448562617 201280835 /nfs/dbraw/zinc/28/08/35/201280835.db2.gz UTNQEQGXILLYBV-UHFFFAOYSA-N -1 3 239.290 2.379 20 0 BEADHM Cc1ccc(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000436823756 201338466 /nfs/dbraw/zinc/33/84/66/201338466.db2.gz WZLICDYJFZWTAZ-IWIIMEHWSA-N -1 3 231.295 2.229 20 0 BEADHM COc1ccc([O-])c(C(=O)N2C3CCC2CC3)c1 ZINC000398841004 363902071 /nfs/dbraw/zinc/90/20/71/363902071.db2.gz JOMIDDGCDYDBSG-UHFFFAOYSA-N -1 3 247.294 2.168 20 0 BEADHM CC(=O)c1cccc(NC(=O)CCCF)c1[O-] ZINC000614861653 364016308 /nfs/dbraw/zinc/01/63/08/364016308.db2.gz RCCVNAYRCSMYDI-UHFFFAOYSA-N -1 3 239.246 2.283 20 0 BEADHM CC[C@@H](C)CCNC(=O)c1c([O-])cccc1O ZINC000622143215 370733139 /nfs/dbraw/zinc/73/31/39/370733139.db2.gz KNBIENMVJDWKRY-SECBINFHSA-N -1 3 237.299 2.264 20 0 BEADHM O=C(c1cccc([O-])c1)N1CC[C@@H]1C(F)(F)F ZINC000615031065 364397305 /nfs/dbraw/zinc/39/73/05/364397305.db2.gz WINQHRZWKMLYET-SECBINFHSA-N -1 3 245.200 2.169 20 0 BEADHM O=C(CCCn1cccc1)Nc1ncccc1[O-] ZINC000155838200 364742098 /nfs/dbraw/zinc/74/20/98/364742098.db2.gz HZLHGFIVICCLJH-UHFFFAOYSA-N -1 3 245.282 2.008 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1C ZINC000643370063 541402205 /nfs/dbraw/zinc/40/22/05/541402205.db2.gz VOWDGFKWCVDVIG-GMTAPVOTSA-N -1 3 247.342 2.077 20 0 BEADHM C[C@H]1C[C@H](C)N1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000574416626 365058940 /nfs/dbraw/zinc/05/89/40/365058940.db2.gz OBMRFKDIWHKILF-IUCAKERBSA-N -1 3 233.315 2.042 20 0 BEADHM Cc1cc(CC(=O)Nc2ccc(C)cc2[O-])no1 ZINC000172321134 365310297 /nfs/dbraw/zinc/31/02/97/365310297.db2.gz KSUQWNRODKWWSF-UHFFFAOYSA-N -1 3 246.266 2.178 20 0 BEADHM CC1=C(C)C[C@@H](C(=O)Nc2ccncc2[O-])CC1 ZINC000576162219 365505973 /nfs/dbraw/zinc/50/59/73/365505973.db2.gz BFYNQTRZDLOZOR-NSHDSACASA-N -1 3 246.310 2.284 20 0 BEADHM CN(Cc1ccc(C(=O)[O-])cn1)C(C)(C)C ZINC000382334935 367509859 /nfs/dbraw/zinc/50/98/59/367509859.db2.gz YYVJEPJFVKQKRN-UHFFFAOYSA-N -1 3 222.288 2.010 20 0 BEADHM CC(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000385703416 367857292 /nfs/dbraw/zinc/85/72/92/367857292.db2.gz PZESCSPLOZONEY-BXKDBHETSA-N -1 3 249.310 2.262 20 0 BEADHM O=C(N[C@H]1CC12CCCC2)c1ccccc1[O-] ZINC000387093877 368050366 /nfs/dbraw/zinc/05/03/66/368050366.db2.gz DMRAKILFNUARDV-LBPRGKRZSA-N -1 3 231.295 2.455 20 0 BEADHM O=C(N[C@@H]1CC12CCCC2)c1ccc(O)cc1[O-] ZINC000387330612 368155984 /nfs/dbraw/zinc/15/59/84/368155984.db2.gz SCCULXMLDVORJF-GFCCVEGCSA-N -1 3 247.294 2.160 20 0 BEADHM Cc1ccc(NC(=O)COCC2CC2)c([O-])c1 ZINC000060606182 368547922 /nfs/dbraw/zinc/54/79/22/368547922.db2.gz YXOYTYAMQZESRU-UHFFFAOYSA-N -1 3 235.283 2.066 20 0 BEADHM Cc1ccc(C(=O)[N-]c2c(C)noc2C)o1 ZINC000063448406 368584341 /nfs/dbraw/zinc/58/43/41/368584341.db2.gz ZETAOBOCZMHWSQ-UHFFFAOYSA-N -1 3 220.228 2.445 20 0 BEADHM O=C(CCCn1cccn1)Nc1ccccc1[O-] ZINC000063536694 368588009 /nfs/dbraw/zinc/58/80/09/368588009.db2.gz JJUIKYZEJZQZHT-UHFFFAOYSA-N -1 3 245.282 2.008 20 0 BEADHM Cc1ncc(C(=O)Nc2ccccc2[O-])s1 ZINC000063536680 368588511 /nfs/dbraw/zinc/58/85/11/368588511.db2.gz KMDQEVYFOPNUGG-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM CCN(CC)Cc1nc(=O)c2sccc2[n-]1 ZINC000069463341 368752635 /nfs/dbraw/zinc/75/26/35/368752635.db2.gz ABRPVQIDMXXYIJ-UHFFFAOYSA-N -1 3 237.328 2.239 20 0 BEADHM O=C([O-])c1cnccc1N[C@H]1CC=CCC1 ZINC000088109952 368904320 /nfs/dbraw/zinc/90/43/20/368904320.db2.gz GPKBTEZUCFFGIK-VIFPVBQESA-N -1 3 218.256 2.300 20 0 BEADHM Cc1cc(OC[C@H]2CCCO2)cc2occ([O-])c21 ZINC000642610051 368933687 /nfs/dbraw/zinc/93/36/87/368933687.db2.gz PPHSOOJHSQRSBC-SNVBAGLBSA-N -1 3 248.278 2.128 20 0 BEADHM COCCCN(C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000091782364 369020426 /nfs/dbraw/zinc/02/04/26/369020426.db2.gz BTJBEPNMNVHOFN-VIFPVBQESA-N -1 3 241.287 2.007 20 0 BEADHM Cc1ccnc(C[S@](=O)c2ccc([O-])cc2)c1 ZINC000616193331 369023289 /nfs/dbraw/zinc/02/32/89/369023289.db2.gz VZMDPXKYJMXJMQ-KRWDZBQOSA-N -1 3 247.319 2.403 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)C2CCC2)n1 ZINC000457771765 203101091 /nfs/dbraw/zinc/10/10/91/203101091.db2.gz VCXIYILZZPTGGU-VIFPVBQESA-N -1 3 234.299 2.470 20 0 BEADHM C[C@@]1(CNC(=O)c2cccc([O-])c2)CC1(F)F ZINC000618612036 369183691 /nfs/dbraw/zinc/18/36/91/369183691.db2.gz BGNGNMXQRABWEZ-NSHDSACASA-N -1 3 241.237 2.167 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)C(C)C ZINC000623669617 369220486 /nfs/dbraw/zinc/22/04/86/369220486.db2.gz QTFQURIGFYAAPQ-JTQLQIEISA-N -1 3 221.300 2.475 20 0 BEADHM CC[C@](C)(NC(=O)Cc1cncc([O-])c1)C1CC1 ZINC000618959681 369248190 /nfs/dbraw/zinc/24/81/90/369248190.db2.gz ADVBBSLMAYDXLQ-AWEZNQCLSA-N -1 3 248.326 2.025 20 0 BEADHM CCc1cc(C(=O)N2CC[C@@H]3C[C@@H]3C2)ccc1[O-] ZINC000619372597 369329830 /nfs/dbraw/zinc/32/98/30/369329830.db2.gz PCDNOKROGTZNMK-DGCLKSJQSA-N -1 3 245.322 2.437 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CC[C@H]3C[C@H]3C2)c1 ZINC000619345521 369317475 /nfs/dbraw/zinc/31/74/75/369317475.db2.gz DXSNGLZQUCRKAI-QWRGUYRKSA-N -1 3 231.295 2.183 20 0 BEADHM Cc1csc(C(=O)Nc2ncccc2[O-])c1 ZINC000622505209 370968999 /nfs/dbraw/zinc/96/89/99/370968999.db2.gz ULDWSWSGTGMAAU-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM CC1(C)C[C@]1(C)NC(=O)c1ccccc1[O-] ZINC000620081709 369719971 /nfs/dbraw/zinc/71/99/71/369719971.db2.gz JQDVTXAFBJGECK-ZDUSSCGKSA-N -1 3 219.284 2.311 20 0 BEADHM Cc1cc([C@H](C)N2CCCC2)oc1C(=O)[O-] ZINC000568060192 326302013 /nfs/dbraw/zinc/30/20/13/326302013.db2.gz VNOFBXVQYZXTPN-VIFPVBQESA-N -1 3 223.272 2.443 20 0 BEADHM CCN(Cc1cncc(Cl)c1)[C@H](C)C(=O)[O-] ZINC000621773706 370518364 /nfs/dbraw/zinc/51/83/64/370518364.db2.gz ACDBKBWITAHZKH-MRVPVSSYSA-N -1 3 242.706 2.030 20 0 BEADHM O=C([N-]c1cnoc1)c1ccc(F)cc1F ZINC000623944262 371171488 /nfs/dbraw/zinc/17/14/88/371171488.db2.gz KOAOIOZHPNHKNZ-UHFFFAOYSA-N -1 3 224.166 2.205 20 0 BEADHM c1ccc(CCCSCCc2nnn[n-]2)cc1 ZINC000095107769 371251446 /nfs/dbraw/zinc/25/14/46/371251446.db2.gz MRGWMGDQLPCPEV-UHFFFAOYSA-N -1 3 248.355 2.108 20 0 BEADHM c1ccc(CCCSCCc2nn[n-]n2)cc1 ZINC000095107769 371251450 /nfs/dbraw/zinc/25/14/50/371251450.db2.gz MRGWMGDQLPCPEV-UHFFFAOYSA-N -1 3 248.355 2.108 20 0 BEADHM CC(C)CS(=O)(=O)[N-]c1ncccc1Cl ZINC000226509990 371685265 /nfs/dbraw/zinc/68/52/65/371685265.db2.gz RCLMPBCTDRRKGG-UHFFFAOYSA-N -1 3 248.735 2.133 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C)[C@@H]1C ZINC000627537840 371691633 /nfs/dbraw/zinc/69/16/33/371691633.db2.gz SWGHZVGMECBYRS-ZJUUUORDSA-N -1 3 219.284 2.181 20 0 BEADHM CC/C=C\CNC(=O)c1c(C)cccc1[O-] ZINC000627603357 371772488 /nfs/dbraw/zinc/77/24/88/371772488.db2.gz STBFZTJCHNVYKB-PLNGDYQASA-N -1 3 219.284 2.397 20 0 BEADHM Cc1ccoc1CN1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000304359594 371783697 /nfs/dbraw/zinc/78/36/97/371783697.db2.gz HVIAGZIGJPHYFA-QWRGUYRKSA-N -1 3 237.299 2.131 20 0 BEADHM O=C(C[C@@H]1C=CCCC1)[N-]OCC1CC1 ZINC000293688219 182015709 /nfs/dbraw/zinc/01/57/09/182015709.db2.gz BXBSHIWVBPTQLV-SNVBAGLBSA-N -1 3 209.289 2.191 20 0 BEADHM O=C(Cc1cccc(Cl)c1)[N-]OCC1CC1 ZINC000293898212 182040600 /nfs/dbraw/zinc/04/06/00/182040600.db2.gz ZJOSJHJMPNVUOQ-UHFFFAOYSA-N -1 3 239.702 2.340 20 0 BEADHM CC(=O)CN(C(=O)c1ccc([O-])c(C)c1)C(C)C ZINC000633221588 373365257 /nfs/dbraw/zinc/36/52/57/373365257.db2.gz BZLUIYCQNCOSLR-UHFFFAOYSA-N -1 3 249.310 2.140 20 0 BEADHM CC(=O)CN(C(=O)c1ccc(C)cc1[O-])C(C)C ZINC000633222183 373367237 /nfs/dbraw/zinc/36/72/37/373367237.db2.gz VLXADYKCNQEGGF-UHFFFAOYSA-N -1 3 249.310 2.140 20 0 BEADHM O=C(N[C@]12C[C@H]1CCCC2)c1ccc(O)cc1[O-] ZINC000634097005 373963761 /nfs/dbraw/zinc/96/37/61/373963761.db2.gz VCTSSMVGJLZXDZ-YMTOWFKASA-N -1 3 247.294 2.160 20 0 BEADHM O=C(NCCc1cccs1)c1cccc([O-])c1 ZINC000019839737 182208562 /nfs/dbraw/zinc/20/85/62/182208562.db2.gz YEZDKGGZNYPDDK-UHFFFAOYSA-N -1 3 247.319 2.426 20 0 BEADHM O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1cccc([O-])c1 ZINC000634500447 374276192 /nfs/dbraw/zinc/27/61/92/374276192.db2.gz QFBBMZIRCHSGGB-RKDXNWHRSA-N -1 3 245.200 2.073 20 0 BEADHM [O-]C(=NOCC1CC1)Nc1cccc(F)c1F ZINC000292685554 182281092 /nfs/dbraw/zinc/28/10/92/182281092.db2.gz RLKULPDVEVWDDR-UHFFFAOYSA-N -1 3 242.225 2.428 20 0 BEADHM O=C([N-]OCC1CC1)Nc1cccc(F)c1F ZINC000292685554 182281093 /nfs/dbraw/zinc/28/10/93/182281093.db2.gz RLKULPDVEVWDDR-UHFFFAOYSA-N -1 3 242.225 2.428 20 0 BEADHM [O-]C(=NOCC1CC1)Nc1cccc(Cl)n1 ZINC000292874367 182281684 /nfs/dbraw/zinc/28/16/84/182281684.db2.gz XJILBENRMPYQGZ-UHFFFAOYSA-N -1 3 241.678 2.198 20 0 BEADHM O=C([N-]OCC1CC1)Nc1cccc(Cl)n1 ZINC000292874367 182281686 /nfs/dbraw/zinc/28/16/86/182281686.db2.gz XJILBENRMPYQGZ-UHFFFAOYSA-N -1 3 241.678 2.198 20 0 BEADHM CCC[C@H](CC)NC(=O)c1ccc(O)cc1[O-] ZINC000194905810 206113601 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CCN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078796277 384423586 /nfs/dbraw/zinc/42/35/86/384423586.db2.gz QYCZEHPEAOXHDJ-UHFFFAOYSA-N -1 3 233.311 2.307 20 0 BEADHM Cc1ccc(NC(=O)[C@]2(C)C[C@H]2F)c([O-])c1 ZINC000335653205 384439775 /nfs/dbraw/zinc/43/97/75/384439775.db2.gz XQNFXLNVSQJDEK-ZYHUDNBSSA-N -1 3 223.247 2.387 20 0 BEADHM C[C@@]1(c2nc(-c3ccc([O-])cc3)no2)C[C@H]1F ZINC000335653160 384440775 /nfs/dbraw/zinc/44/07/75/384440775.db2.gz USRGVHRMJYTROW-BXKDBHETSA-N -1 3 234.230 2.442 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](C)[C@H](C)C2)n1 ZINC000122847724 384513910 /nfs/dbraw/zinc/51/39/10/384513910.db2.gz SPQZCGMVTNHRQK-GHMZBOCLSA-N -1 3 249.358 2.223 20 0 BEADHM CC1(C)C[C@H]1C(=O)Nc1ccccc1[O-] ZINC000161711931 384518667 /nfs/dbraw/zinc/51/86/67/384518667.db2.gz VKTMMSDBIQKOLR-QMMMGPOBSA-N -1 3 205.257 2.377 20 0 BEADHM CC(C)(C)CC(=O)N=c1cc2ccccn2[n-]1 ZINC000561154297 384532446 /nfs/dbraw/zinc/53/24/46/384532446.db2.gz QGDXYBLAINRSHD-UHFFFAOYSA-N -1 3 231.299 2.131 20 0 BEADHM CC1(CNC(=O)c2ccccc2[O-])CCC1 ZINC000176110517 384552800 /nfs/dbraw/zinc/55/28/00/384552800.db2.gz KWRVZJJJUANFFN-UHFFFAOYSA-N -1 3 219.284 2.312 20 0 BEADHM CCN(C)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000162031363 384562674 /nfs/dbraw/zinc/56/26/74/384562674.db2.gz NASAAZUNIRFPMH-UHFFFAOYSA-N -1 3 244.294 2.341 20 0 BEADHM O=C([O-])C1(NCc2cc(F)cc(F)c2)CCC1 ZINC000097904175 384574973 /nfs/dbraw/zinc/57/49/73/384574973.db2.gz QEXZLCJASXCOAD-UHFFFAOYSA-N -1 3 241.237 2.062 20 0 BEADHM CCCc1cnc(NC([O-])=NOCC)s1 ZINC000184263268 384586713 /nfs/dbraw/zinc/58/67/13/384586713.db2.gz NSRJPAIDUBJOKN-UHFFFAOYSA-N -1 3 229.305 2.169 20 0 BEADHM CCCc1cnc(NC(=O)[N-]OCC)s1 ZINC000184263268 384586721 /nfs/dbraw/zinc/58/67/21/384586721.db2.gz NSRJPAIDUBJOKN-UHFFFAOYSA-N -1 3 229.305 2.169 20 0 BEADHM Cc1ccc([O-])c(CN[C@@H]2CCC[C@@H]2F)n1 ZINC000335898483 384588438 /nfs/dbraw/zinc/58/84/38/384588438.db2.gz NZQMBMBHOKTKKP-VHSXEESVSA-N -1 3 224.279 2.076 20 0 BEADHM CC[C@H](CSC)NC(=O)c1ccccc1[O-] ZINC000162404431 384614008 /nfs/dbraw/zinc/61/40/08/384614008.db2.gz MFKFNJXTACWLAP-SECBINFHSA-N -1 3 239.340 2.264 20 0 BEADHM Cc1cc(C)c(CN2CC(C(=O)[O-])C2)cc1C ZINC000235836988 384619618 /nfs/dbraw/zinc/61/96/18/384619618.db2.gz BXTCCTGENPMDDB-UHFFFAOYSA-N -1 3 233.311 2.128 20 0 BEADHM CCN(CC)C(=O)c1ccc([O-])c(C)c1 ZINC000168114185 384656442 /nfs/dbraw/zinc/65/64/42/384656442.db2.gz RFVLTHFQFBTHHN-UHFFFAOYSA-N -1 3 207.273 2.183 20 0 BEADHM COc1cc(C(=O)N2CCC(C)CC2)ccc1[O-] ZINC000082265687 384656441 /nfs/dbraw/zinc/65/64/41/384656441.db2.gz WCHCNNBOFIEVKG-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM O=C(/C=C/c1ccco1)[N-]OCCC(F)(F)F ZINC000162628516 384656963 /nfs/dbraw/zinc/65/69/63/384656963.db2.gz VPKRHGYZNDEQRV-ONEGZZNKSA-N -1 3 249.188 2.293 20 0 BEADHM COc1cc(C(=O)NC2CCCC2)ccc1[O-] ZINC000082265673 384657858 /nfs/dbraw/zinc/65/78/58/384657858.db2.gz AJJWFQQATYLVNV-UHFFFAOYSA-N -1 3 235.283 2.073 20 0 BEADHM CCc1cc(=O)[n-]c(CS[C@H](C)COC)n1 ZINC000125585496 384729334 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KQFWMYILBZNFPK-UHFFFAOYSA-N -1 3 201.266 2.244 20 0 BEADHM CN(CCCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000083662591 384788974 /nfs/dbraw/zinc/78/89/74/384788974.db2.gz WSFWABHNSYJQAC-UHFFFAOYSA-N -1 3 243.253 2.261 20 0 BEADHM C[C@@]1(C(=O)Nc2ccc([O-])cc2F)C[C@@H]1F ZINC000335652445 384807693 /nfs/dbraw/zinc/80/76/93/384807693.db2.gz DGRWSNKTDZCTBB-GXSJLCMTSA-N -1 3 227.210 2.218 20 0 BEADHM CCO[N-]C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000175274268 384885497 /nfs/dbraw/zinc/88/54/97/384885497.db2.gz RPSUTRWGLWEWMN-SNVBAGLBSA-N -1 3 237.299 2.257 20 0 BEADHM Cc1cc(C(=O)N(C)CC(F)F)ccc1[O-] ZINC000226996068 385077281 /nfs/dbraw/zinc/07/72/81/385077281.db2.gz DCPBFOPWLWTYFD-UHFFFAOYSA-N -1 3 229.226 2.038 20 0 BEADHM O=[S@@](CC[C@@H]1CCCO1)c1ccc([O-])cc1 ZINC000189100206 385123895 /nfs/dbraw/zinc/12/38/95/385123895.db2.gz HLLFWTIDYXBUJT-ZBEGNZNMSA-N -1 3 240.324 2.069 20 0 BEADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccncc1[O-] ZINC000530883353 385132064 /nfs/dbraw/zinc/13/20/64/385132064.db2.gz 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NVJXMSDRWWFVPM-LBPRGKRZSA-N -1 3 223.272 2.146 20 0 BEADHM CCO[N-]C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000178569565 385392422 /nfs/dbraw/zinc/39/24/22/385392422.db2.gz USHAECKAZSCVOM-RKDXNWHRSA-N -1 3 225.313 2.228 20 0 BEADHM COC(=O)c1cnc(SC[Si](C)(C)C)[n-]1 ZINC000193546024 385400723 /nfs/dbraw/zinc/40/07/23/385400723.db2.gz ZVNGWOYOIGMAEB-UHFFFAOYSA-N -1 3 244.392 2.166 20 0 BEADHM COC(=O)c1c[n-]c(SC[Si](C)(C)C)n1 ZINC000193546024 385400726 /nfs/dbraw/zinc/40/07/26/385400726.db2.gz ZVNGWOYOIGMAEB-UHFFFAOYSA-N -1 3 244.392 2.166 20 0 BEADHM CCN(CC(F)F)C(=O)c1ccc(C)cc1[O-] ZINC000182424573 385443802 /nfs/dbraw/zinc/44/38/02/385443802.db2.gz WEMDSSICWYCLEQ-UHFFFAOYSA-N -1 3 243.253 2.428 20 0 BEADHM CC1(C)CCCN1C(=O)/C=C/c1cncc([O-])c1 ZINC000181975927 385449976 /nfs/dbraw/zinc/44/99/76/385449976.db2.gz AONHONBFDAYZIV-SNAWJCMRSA-N -1 3 246.310 2.201 20 0 BEADHM CO[N-]C(=O)/C(C)=C/c1ccc(C)cc1 ZINC000180232940 385513358 /nfs/dbraw/zinc/51/33/58/385513358.db2.gz VNOFAJKDYKCVRR-CSKARUKUSA-N -1 3 205.257 2.076 20 0 BEADHM COC1(CNC(=O)c2ccccc2[O-])CCCC1 ZINC000295334591 385553483 /nfs/dbraw/zinc/55/34/83/385553483.db2.gz MEQWEATZTPYBCW-UHFFFAOYSA-N -1 3 249.310 2.081 20 0 BEADHM CO[N-]C(=O)CCOc1ccccc1C(C)C ZINC000269670018 385620390 /nfs/dbraw/zinc/62/03/90/385620390.db2.gz ANHZYTANKBBCBN-UHFFFAOYSA-N -1 3 237.299 2.257 20 0 BEADHM CO[N-]C(=O)CC1CC(c2ccccc2)C1 ZINC000281209359 385644317 /nfs/dbraw/zinc/64/43/17/385644317.db2.gz KTYSFVTWNJZMAV-UHFFFAOYSA-N -1 3 219.284 2.248 20 0 BEADHM CC/C=C/CNC(=O)c1ccccc1[O-] ZINC000295517681 385672244 /nfs/dbraw/zinc/67/22/44/385672244.db2.gz DQMLJVKWNFUPBT-ZZXKWVIFSA-N -1 3 205.257 2.088 20 0 BEADHM COC(C)(C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000270140807 385675994 /nfs/dbraw/zinc/67/59/94/385675994.db2.gz TVKAIKINTNLOBQ-UHFFFAOYSA-N -1 3 243.690 2.409 20 0 BEADHM CCC[C@](C)(O)C(=O)Nc1ccc(C)cc1[O-] ZINC000270224018 385687519 /nfs/dbraw/zinc/68/75/19/385687519.db2.gz MUANJEYCDXTHJS-ZDUSSCGKSA-N -1 3 237.299 2.190 20 0 BEADHM CSCCCN(C)C(=O)c1cccc([O-])c1 ZINC000281820644 385705642 /nfs/dbraw/zinc/70/56/42/385705642.db2.gz XJBFVRJYLUBJEN-UHFFFAOYSA-N -1 3 239.340 2.217 20 0 BEADHM CCO[N-]C(=O)Nc1ccccc1SC ZINC000182880076 385716423 /nfs/dbraw/zinc/71/64/23/385716423.db2.gz LGTXFEFBTFKRKZ-UHFFFAOYSA-N -1 3 226.301 2.482 20 0 BEADHM CCO[C@@H]1C[C@@H]1C(=O)Nc1c(C)cccc1[O-] ZINC000183047515 385731699 /nfs/dbraw/zinc/73/16/99/385731699.db2.gz LTRXJMQLBBFPRH-GXSJLCMTSA-N -1 3 235.283 2.064 20 0 BEADHM CCO[C@H]1C[C@H]1C(=O)Nc1c(C)cccc1[O-] ZINC000183047572 385733260 /nfs/dbraw/zinc/73/32/60/385733260.db2.gz LTRXJMQLBBFPRH-KOLCDFICSA-N -1 3 235.283 2.064 20 0 BEADHM CCc1cc(=O)[n-]c(CN[C@H](C)[C@H](C)CC)n1 ZINC000183054321 385733288 /nfs/dbraw/zinc/73/32/88/385733288.db2.gz UMICCNHJFGTKCW-NXEZZACHSA-N -1 3 237.347 2.269 20 0 BEADHM Cc1noc([N-]C(=O)c2cc(C3CC3)no2)c1C ZINC000282212752 385744095 /nfs/dbraw/zinc/74/40/95/385744095.db2.gz ZQBPZUMTPFILEP-UHFFFAOYSA-N -1 3 247.254 2.409 20 0 BEADHM CCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647797667 385777307 /nfs/dbraw/zinc/77/73/07/385777307.db2.gz XNSLMAGBGXAYQD-UHFFFAOYSA-N -1 3 219.244 2.007 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)C(C)(F)F)n1 ZINC000294140708 385811867 /nfs/dbraw/zinc/81/18/67/385811867.db2.gz HLYOMTAIYBZTCP-SSDOTTSWSA-N -1 3 244.241 2.325 20 0 BEADHM CC[C@@H](C)N(OC)C(=O)c1ccccc1[O-] ZINC000271825761 385852203 /nfs/dbraw/zinc/85/22/03/385852203.db2.gz AIATWHRMIGQFMI-SECBINFHSA-N -1 3 223.272 2.194 20 0 BEADHM COCCO[N-]C(=O)/C=C\c1cc(C)cc(C)c1 ZINC000492884770 533146716 /nfs/dbraw/zinc/14/67/16/533146716.db2.gz CBFJRWLCVUXXAP-PLNGDYQASA-N -1 3 249.310 2.011 20 0 BEADHM CCO[N-]C(=O)/C(C)=C/c1ccc(C)cc1 ZINC000272317018 385893762 /nfs/dbraw/zinc/89/37/62/385893762.db2.gz SRMPRNXIOWUATG-PKNBQFBNSA-N -1 3 219.284 2.466 20 0 BEADHM CCN(CCOC)Cc1c(F)ccc([O-])c1F ZINC000294848822 385903208 /nfs/dbraw/zinc/90/32/08/385903208.db2.gz IRASPOUYSVAQPQ-UHFFFAOYSA-N -1 3 245.269 2.139 20 0 BEADHM COc1cc(C(=O)N2CCC(C)(C)C2)ccc1[O-] ZINC000272616808 385918303 /nfs/dbraw/zinc/91/83/03/385918303.db2.gz PNFIMANWMPVWLT-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM CCC[C@@H](OC)C(=O)Nc1ccc(C)cc1[O-] ZINC000294537592 385864540 /nfs/dbraw/zinc/86/45/40/385864540.db2.gz ZXAHZTLFZWOQBT-GFCCVEGCSA-N -1 3 237.299 2.454 20 0 BEADHM CCC[C@@H](OC)C(=O)Nc1c(C)cccc1[O-] ZINC000294959822 385927817 /nfs/dbraw/zinc/92/78/17/385927817.db2.gz NIPGBTPETZWRDZ-LLVKDONJSA-N -1 3 237.299 2.454 20 0 BEADHM Cc1nonc1[N-]C(=O)c1occc1C(C)C ZINC000284632340 385880112 /nfs/dbraw/zinc/88/01/12/385880112.db2.gz KUCCDAKVVCHVOQ-UHFFFAOYSA-N -1 3 235.243 2.347 20 0 BEADHM CC(C)C[C@@H](N)c1noc(-c2ccccc2[O-])n1 ZINC000414618405 385962839 /nfs/dbraw/zinc/96/28/39/385962839.db2.gz MNBISSPZDGAWAX-SNVBAGLBSA-N -1 3 247.298 2.488 20 0 BEADHM Cc1ccc([O-])c(NC(=O)CCC2CC2)n1 ZINC000273441982 386001520 /nfs/dbraw/zinc/00/15/20/386001520.db2.gz GFAMBPGPBNXUES-UHFFFAOYSA-N -1 3 220.272 2.224 20 0 BEADHM CCC1(C(=O)Nc2nc(C)ccc2[O-])CC1 ZINC000273478599 386005306 /nfs/dbraw/zinc/00/53/06/386005306.db2.gz KQRCUXPXIBYRMI-UHFFFAOYSA-N -1 3 220.272 2.224 20 0 BEADHM CC[C@@H]1C[C@H](NC(=O)c2cccc([O-])c2)CCO1 ZINC000335066407 386006563 /nfs/dbraw/zinc/00/65/63/386006563.db2.gz FOAYCDIFNLRSNO-DGCLKSJQSA-N -1 3 249.310 2.080 20 0 BEADHM CCCCC(=O)Nc1nc(C)ccc1[O-] ZINC000273530893 386009495 /nfs/dbraw/zinc/00/94/95/386009495.db2.gz RUAWBHAQAWMBDZ-UHFFFAOYSA-N -1 3 208.261 2.224 20 0 BEADHM CS[C@@H](C)CC(=O)Nc1nc(C)ccc1[O-] ZINC000273578578 386015772 /nfs/dbraw/zinc/01/57/72/386015772.db2.gz YVGBRMWFHMJIDD-QMMMGPOBSA-N -1 3 240.328 2.176 20 0 BEADHM CN(Cc1ccon1)Cc1cc([O-])cc(F)c1 ZINC000274543813 386118313 /nfs/dbraw/zinc/11/83/13/386118313.db2.gz GVXAAINUUZLBAK-UHFFFAOYSA-N -1 3 236.246 2.151 20 0 BEADHM CC1(C(=O)Nc2cccc([O-])c2F)CC1 ZINC000129189027 386063454 /nfs/dbraw/zinc/06/34/54/386063454.db2.gz BDWMAVNKEUDKOJ-UHFFFAOYSA-N -1 3 209.220 2.270 20 0 BEADHM COC[C@H]([N-]c1nnc(C)o1)c1ccccc1 ZINC000286655621 386064809 /nfs/dbraw/zinc/06/48/09/386064809.db2.gz YAHYSHNTNKZBNK-NSHDSACASA-N -1 3 233.271 2.178 20 0 BEADHM CCC1([N-]S(=O)(=O)c2ccco2)CCCC1 ZINC000295824210 386090554 /nfs/dbraw/zinc/09/05/54/386090554.db2.gz VCXSYPVASADLMG-UHFFFAOYSA-N -1 3 243.328 2.281 20 0 BEADHM CN(CC[C@H]1CCCO1)C(=O)c1cccc([O-])c1 ZINC000346139392 386165423 /nfs/dbraw/zinc/16/54/23/386165423.db2.gz RRNOXFJEHQHFRQ-CYBMUJFWSA-N -1 3 249.310 2.033 20 0 BEADHM CN(CC(C)(C)C)C(=O)c1ccc2n[n-]nc2c1 ZINC000263815349 386180690 /nfs/dbraw/zinc/18/06/90/386180690.db2.gz KPHXLWAEOAHGRR-UHFFFAOYSA-N -1 3 246.314 2.076 20 0 BEADHM O=S(=O)([N-]c1cccc(Cl)c1F)C1CC1 ZINC000263855225 386181623 /nfs/dbraw/zinc/18/16/23/386181623.db2.gz PLDCVYBDZMRQOR-UHFFFAOYSA-N -1 3 249.694 2.383 20 0 BEADHM CCCCOc1ccc(C(=O)N(C)C)c([O-])c1 ZINC000190065615 386143458 /nfs/dbraw/zinc/14/34/58/386143458.db2.gz JDUBUEDOLFZWGU-UHFFFAOYSA-N -1 3 237.299 2.273 20 0 BEADHM COC1(C(=O)Nc2ccccc2[O-])CCCC1 ZINC000336096335 386204524 /nfs/dbraw/zinc/20/45/24/386204524.db2.gz QAUIIJDCZHLHDR-UHFFFAOYSA-N -1 3 235.283 2.290 20 0 BEADHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000275452405 386212900 /nfs/dbraw/zinc/21/29/00/386212900.db2.gz IVUXDSMNTKFUAT-ZJUUUORDSA-N -1 3 245.344 2.383 20 0 BEADHM CO[C@@H](CC(C)C)C(=O)Nc1ccccc1[O-] ZINC000416130837 386216724 /nfs/dbraw/zinc/21/67/24/386216724.db2.gz IWLUYHDSKQYAAZ-LBPRGKRZSA-N -1 3 237.299 2.392 20 0 BEADHM CC(F)(F)C(=O)[N-][C@@H]1CCCc2occc21 ZINC000288622532 386223294 /nfs/dbraw/zinc/22/32/94/386223294.db2.gz RUPUTRXXPHQRJP-MRVPVSSYSA-N -1 3 229.226 2.428 20 0 BEADHM COc1cc(C(=O)NC2(C)CCC2)ccc1[O-] ZINC000276009288 386261002 /nfs/dbraw/zinc/26/10/02/386261002.db2.gz QELKKNNTKIJSLX-UHFFFAOYSA-N -1 3 235.283 2.073 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2CO[C@@H](C)C2)c([O-])c1 ZINC000132767891 386254104 /nfs/dbraw/zinc/25/41/04/386254104.db2.gz HGMKGFZWUYLIFF-UWVGGRQHSA-N -1 3 235.283 2.064 20 0 BEADHM CCc1ccc(C(=O)N[C@@H]2C[C@H]2C)c([O-])c1 ZINC000190998079 386195192 /nfs/dbraw/zinc/19/51/92/386195192.db2.gz FOBFQHCOEVGNSI-LDYMZIIASA-N -1 3 219.284 2.093 20 0 BEADHM CCO[N-]C(=O)CCC(=O)c1cc(C)ccc1C ZINC000298151114 386304512 /nfs/dbraw/zinc/30/45/12/386304512.db2.gz XNKOYHZURZHLQR-UHFFFAOYSA-N -1 3 249.310 2.334 20 0 BEADHM CCO[N-]C(=O)C(C)(C)Cc1ccccc1 ZINC000265610108 386352691 /nfs/dbraw/zinc/35/26/91/386352691.db2.gz WTMHHJCZHMWNKW-UHFFFAOYSA-N -1 3 221.300 2.323 20 0 BEADHM Cc1cc(C(=O)NCCC(C)C)ccc1[O-] ZINC000226714258 386369073 /nfs/dbraw/zinc/36/90/73/386369073.db2.gz ZIFZHCTZRZBGNM-UHFFFAOYSA-N -1 3 221.300 2.477 20 0 BEADHM Cc1cc(C(=O)N[C@H](C)C2CC2)ccc1[O-] ZINC000226715684 386369090 /nfs/dbraw/zinc/36/90/90/386369090.db2.gz BRVRBLVKBCSXHM-SECBINFHSA-N -1 3 219.284 2.229 20 0 BEADHM C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccco1 ZINC000416507716 386331559 /nfs/dbraw/zinc/33/15/59/386331559.db2.gz ORXKUMCPVZDTKU-VIFPVBQESA-N -1 3 245.344 2.383 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2CCO[C@H]2C)c([O-])c1 ZINC000094178600 386446246 /nfs/dbraw/zinc/44/62/46/386446246.db2.gz XLHHIDKXLOLMKS-VHSXEESVSA-N -1 3 235.283 2.064 20 0 BEADHM Cc1cc(C(=O)N2CC[C@@H](C)C2)ccc1[O-] ZINC000227024794 386446730 /nfs/dbraw/zinc/44/67/30/386446730.db2.gz BELKKRJKEKPTKC-SECBINFHSA-N -1 3 219.284 2.183 20 0 BEADHM Cc1cc(C(=O)N2CC[C@H](C)C2)ccc1[O-] ZINC000227024807 386447609 /nfs/dbraw/zinc/44/76/09/386447609.db2.gz BELKKRJKEKPTKC-VIFPVBQESA-N -1 3 219.284 2.183 20 0 BEADHM CS[C@H](C)CNC(=O)c1ccc([O-])c(C)c1 ZINC000227041778 386450413 /nfs/dbraw/zinc/45/04/13/386450413.db2.gz NQKAQCXQAUJSLA-SECBINFHSA-N -1 3 239.340 2.182 20 0 BEADHM Cc1cc(C(=O)NCC(=O)C(C)(C)C)ccc1[O-] ZINC000227043121 386451514 /nfs/dbraw/zinc/45/15/14/386451514.db2.gz HYVKQCBGXVCSRO-UHFFFAOYSA-N -1 3 249.310 2.046 20 0 BEADHM C[C@H]1CC[C@H](c2nc(-c3cc(=O)[n-]cn3)no2)C1 ZINC000351373424 386413386 /nfs/dbraw/zinc/41/33/86/386413386.db2.gz QGHBWFLIOOPVEK-YUMQZZPRSA-N -1 3 246.270 2.136 20 0 BEADHM CCO[N-]C(=O)Nc1cc(C)cc(OC)c1C ZINC000278356979 386513391 /nfs/dbraw/zinc/51/33/91/386513391.db2.gz ASENMCVHCDAPJD-UHFFFAOYSA-N -1 3 238.287 2.385 20 0 BEADHM CC(C)[C@@H](C)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000525865081 386515133 /nfs/dbraw/zinc/51/51/33/386515133.db2.gz YFKJACSKUCOZSI-SECBINFHSA-N -1 3 246.314 2.074 20 0 BEADHM CC(C)[C@@H](C)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000525865081 386515140 /nfs/dbraw/zinc/51/51/40/386515140.db2.gz YFKJACSKUCOZSI-SECBINFHSA-N -1 3 246.314 2.074 20 0 BEADHM CC(C)[C@@H](C)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000525865081 386515145 /nfs/dbraw/zinc/51/51/45/386515145.db2.gz YFKJACSKUCOZSI-SECBINFHSA-N -1 3 246.314 2.074 20 0 BEADHM Cc1cc(C)c(C(=O)[N-]c2nc(C)ns2)o1 ZINC000267275321 386521604 /nfs/dbraw/zinc/52/16/04/386521604.db2.gz TYSVARKUAUCFCM-UHFFFAOYSA-N -1 3 237.284 2.309 20 0 BEADHM CO[C@H](C)CCc1nc(-c2ccc([O-])cc2)no1 ZINC000227947342 386524252 /nfs/dbraw/zinc/52/42/52/386524252.db2.gz RMYVKPJMNIDVNZ-SECBINFHSA-N -1 3 248.282 2.410 20 0 BEADHM CO[C@@H](C)CCc1nc(-c2ccc([O-])cc2)no1 ZINC000227947336 386524390 /nfs/dbraw/zinc/52/43/90/386524390.db2.gz RMYVKPJMNIDVNZ-VIFPVBQESA-N -1 3 248.282 2.410 20 0 BEADHM CCO[N-]C(=O)Nc1cc(C)c(OC)cc1C ZINC000278735030 386574581 /nfs/dbraw/zinc/57/45/81/386574581.db2.gz SDBPEIFLWSCPEB-UHFFFAOYSA-N -1 3 238.287 2.385 20 0 BEADHM CCCc1nc(C)c(C[N-]C(=O)C(C)(F)F)o1 ZINC000291731788 386577242 /nfs/dbraw/zinc/57/72/42/386577242.db2.gz IGXJEOGSAUXFQL-UHFFFAOYSA-N -1 3 246.257 2.207 20 0 BEADHM CCCCNC(=O)c1ccc([O-])c(CC)c1 ZINC000291414279 386543810 /nfs/dbraw/zinc/54/38/10/386543810.db2.gz GXLPLHIBNGVYRC-UHFFFAOYSA-N -1 3 221.300 2.485 20 0 BEADHM Cc1noc([N-]C(=O)[C@@H]2CCC(C)(C)O2)c1C ZINC000278672196 386564825 /nfs/dbraw/zinc/56/48/25/386564825.db2.gz KDFSLIZTHUDERN-VIFPVBQESA-N -1 3 238.287 2.188 20 0 BEADHM CCc1cc(C(=O)NOCC(C)C)ccc1[O-] ZINC000292187028 386630762 /nfs/dbraw/zinc/63/07/62/386630762.db2.gz OOJPFXKKRUKWOV-UHFFFAOYSA-N -1 3 237.299 2.272 20 0 BEADHM O=C(/C=C/c1cncc([O-])c1)N1CCCCCC1 ZINC000179379142 386634038 /nfs/dbraw/zinc/63/40/38/386634038.db2.gz JMGIXCHTRIQRHX-AATRIKPKSA-N -1 3 246.310 2.203 20 0 BEADHM CO[C@](C)(C(=O)[N-]c1onc(C)c1C)C1CC1 ZINC000292198440 386634682 /nfs/dbraw/zinc/63/46/82/386634682.db2.gz RIMVXGMTYFUZTC-LBPRGKRZSA-N -1 3 238.287 2.045 20 0 BEADHM CCOc1ccc(C[N-]C(=O)C(F)F)cc1F ZINC000279141460 386635733 /nfs/dbraw/zinc/63/57/33/386635733.db2.gz ZEMMKXLCNYUERG-UHFFFAOYSA-N -1 3 247.216 2.106 20 0 BEADHM Cc1csc([C@@H]([N-]C(=O)C(F)F)C2CC2)n1 ZINC000279190596 386647237 /nfs/dbraw/zinc/64/72/37/386647237.db2.gz MXWAIEZWPIJLQY-ZETCQYMHSA-N -1 3 246.282 2.284 20 0 BEADHM O=C([O-])CCNCc1cc2cc(F)ccc2o1 ZINC000340671352 386653307 /nfs/dbraw/zinc/65/33/07/386653307.db2.gz MNCLSDDQAZBYTE-UHFFFAOYSA-N -1 3 237.230 2.136 20 0 BEADHM COc1cc(C(=O)N[C@@H]2CCC[C@@H]2C)ccc1[O-] ZINC000268065482 386617317 /nfs/dbraw/zinc/61/73/17/386617317.db2.gz HADRYAZRKAJWDC-GXSJLCMTSA-N -1 3 249.310 2.319 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C=C2CCC2)n1 ZINC000280090306 386778135 /nfs/dbraw/zinc/77/81/35/386778135.db2.gz LMWHSPNOCDWTOP-UHFFFAOYSA-N -1 3 218.256 2.144 20 0 BEADHM Cc1cncc(CCC(=O)[N-]OC2CCCC2)c1 ZINC000293148914 386783833 /nfs/dbraw/zinc/78/38/33/386783833.db2.gz MISDGASNWRQFIN-UHFFFAOYSA-N -1 3 248.326 2.313 20 0 BEADHM C[C@H](C[C@@H]1CCCO1)NC(=O)c1cccc([O-])c1 ZINC000357440887 386784712 /nfs/dbraw/zinc/78/47/12/386784712.db2.gz HYEZTVGLRYHOKS-MFKMUULPSA-N -1 3 249.310 2.080 20 0 BEADHM C[C@@H](CC1CCCC1)C(=O)Nc1ccncc1[O-] ZINC000330543895 386785357 /nfs/dbraw/zinc/78/53/57/386785357.db2.gz JGZGJGHTKZUFGR-JTQLQIEISA-N -1 3 248.326 2.364 20 0 BEADHM CCCCC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000330653849 386813209 /nfs/dbraw/zinc/81/32/09/386813209.db2.gz MKCCTJZWEOWRSG-UHFFFAOYSA-N -1 3 231.317 2.057 20 0 BEADHM O=[S@](CCC1CC1)c1cccc([O-])c1 ZINC000358112792 386892129 /nfs/dbraw/zinc/89/21/29/386892129.db2.gz BUNAPDPCGLZQMW-CQSZACIVSA-N -1 3 210.298 2.300 20 0 BEADHM Cc1ccc(C(=O)NOCC2CC2)c([O-])c1C ZINC000293873563 386892868 /nfs/dbraw/zinc/89/28/68/386892868.db2.gz WZXKTJRWBMAASM-UHFFFAOYSA-N -1 3 235.283 2.080 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H]1C=CCC1 ZINC000293696251 386864247 /nfs/dbraw/zinc/86/42/47/386864247.db2.gz KQIOOIORXOHGRT-GHMZBOCLSA-N -1 3 211.305 2.437 20 0 BEADHM CC(C(=O)[N-]OCC1CC1)=C1CCCC1 ZINC000293807937 386881785 /nfs/dbraw/zinc/88/17/85/386881785.db2.gz QHTOTRNAXQCGLY-UHFFFAOYSA-N -1 3 209.289 2.335 20 0 BEADHM O=C(/C=C/c1cccs1)[N-]OCC1CC1 ZINC000293811968 386884072 /nfs/dbraw/zinc/88/40/72/386884072.db2.gz QTJLNJCRRGPPQM-AATRIKPKSA-N -1 3 223.297 2.219 20 0 BEADHM CC[C@@H](C)CONC(=O)c1ccc([O-])c(C)c1 ZINC000293841839 386888241 /nfs/dbraw/zinc/88/82/41/386888241.db2.gz WOCHBQPDIFDVGS-SECBINFHSA-N -1 3 237.299 2.408 20 0 BEADHM CCCCCN1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000330865744 386906120 /nfs/dbraw/zinc/90/61/20/386906120.db2.gz XLQHNDFZVLUSQB-JTQLQIEISA-N -1 3 238.335 2.228 20 0 BEADHM Cc1co[n-]c1=NC(=O)c1c(C)cccc1C ZINC000335772443 386919956 /nfs/dbraw/zinc/91/99/56/386919956.db2.gz KYVAHUKDIKJPOX-UHFFFAOYSA-N -1 3 230.267 2.274 20 0 BEADHM Cc1ccc2c(c1)[C@H]([N-]C(=O)C(C)(F)F)CO2 ZINC000367964263 386923777 /nfs/dbraw/zinc/92/37/77/386923777.db2.gz UMFDXHIIQOZGLK-SECBINFHSA-N -1 3 241.237 2.200 20 0 BEADHM Cn1c(=O)[n-]nc1SCC1=CCCCC1 ZINC000334966136 387047419 /nfs/dbraw/zinc/04/74/19/387047419.db2.gz DUYDNMYPZNEKNO-UHFFFAOYSA-N -1 3 225.317 2.113 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2cccnc2C)n1 ZINC000352026151 387009074 /nfs/dbraw/zinc/00/90/74/387009074.db2.gz IZKGFCSRWDANEJ-AATRIKPKSA-N -1 3 227.267 2.364 20 0 BEADHM CC[C@@H](NC(=O)c1ccccc1[O-])[C@H]1CCCO1 ZINC000126181889 387024213 /nfs/dbraw/zinc/02/42/13/387024213.db2.gz DPSDXGFWJXJLKR-DGCLKSJQSA-N -1 3 249.310 2.080 20 0 BEADHM CCc1ccc(C(=O)N[C@H](C)C2CC2)c([O-])c1 ZINC000188622798 387071968 /nfs/dbraw/zinc/07/19/68/387071968.db2.gz HEWFKURDDMDHDK-SECBINFHSA-N -1 3 233.311 2.483 20 0 BEADHM O=S(=O)([N-]CCC1=CCCC1)c1ccco1 ZINC000188784888 387083662 /nfs/dbraw/zinc/08/36/62/387083662.db2.gz FVGVVDLSXUSEOC-UHFFFAOYSA-N -1 3 241.312 2.058 20 0 BEADHM Cc1cccc(C(=O)NCc2cscn2)c1[O-] ZINC000070168259 387120526 /nfs/dbraw/zinc/12/05/26/387120526.db2.gz YNMZRHIKBXFFHW-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM CC(C)(C(=O)Nc1ncccc1[O-])C(C)(F)F ZINC000336226983 387067715 /nfs/dbraw/zinc/06/77/15/387067715.db2.gz AKHWEMJTHXMHKI-UHFFFAOYSA-N -1 3 244.241 2.407 20 0 BEADHM CC(=O)c1ccc(C(=O)Nc2ccccc2[O-])o1 ZINC000336317916 387143976 /nfs/dbraw/zinc/14/39/76/387143976.db2.gz PPSVZCXGPATIQC-UHFFFAOYSA-N -1 3 245.234 2.440 20 0 BEADHM CCCN(C(=O)c1ccc2n[n-]nc2c1)C(C)C ZINC000571701030 387149450 /nfs/dbraw/zinc/14/94/50/387149450.db2.gz RCJDNJWAQCTYRQ-UHFFFAOYSA-N -1 3 246.314 2.219 20 0 BEADHM COC[C@@H](C)[C@H](C)C(=O)Nc1ccccc1[O-] ZINC000359912112 387191111 /nfs/dbraw/zinc/19/11/11/387191111.db2.gz MRKUFHZDQFDYOA-ZJUUUORDSA-N -1 3 237.299 2.249 20 0 BEADHM O=C(CC1CC1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000353379901 387192146 /nfs/dbraw/zinc/19/21/46/387192146.db2.gz YWIZNDWFVZWDCG-UHFFFAOYSA-N -1 3 241.294 2.237 20 0 BEADHM COc1cc(C(=O)N2[C@H](C)CC[C@@H]2C)ccc1[O-] ZINC000336405631 387233767 /nfs/dbraw/zinc/23/37/67/387233767.db2.gz NTIDYGUJFLYCIP-AOOOYVTPSA-N -1 3 249.310 2.414 20 0 BEADHM CC1(C)CN(Cc2ncccc2[O-])CCS1 ZINC000572165737 387255626 /nfs/dbraw/zinc/25/56/26/387255626.db2.gz KNOOYQMHMJCVED-UHFFFAOYSA-N -1 3 238.356 2.115 20 0 BEADHM COc1cc(C(=O)N[C@H]2C=CCCC2)ccc1[O-] ZINC000336520524 387347192 /nfs/dbraw/zinc/34/71/92/387347192.db2.gz LHDVQLOGVUFGLC-NSHDSACASA-N -1 3 247.294 2.239 20 0 BEADHM Cc1ccc([O-])c(CN2CCC23CCC3)n1 ZINC000336527681 387351506 /nfs/dbraw/zinc/35/15/06/387351506.db2.gz MOLSEQMJUVELAV-UHFFFAOYSA-N -1 3 218.300 2.224 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@]2(C)CCC[C@@H]2C)c1C ZINC000515867366 387436932 /nfs/dbraw/zinc/43/69/32/387436932.db2.gz LAUNLKZBCQOVMF-LKFCYVNXSA-N -1 3 249.358 2.467 20 0 BEADHM CCc1ccc(CNCc2ncccc2[O-])cn1 ZINC000352698203 387442209 /nfs/dbraw/zinc/44/22/09/387442209.db2.gz OSLGAIMOLCOFFR-UHFFFAOYSA-N -1 3 243.310 2.034 20 0 BEADHM CC[C@H](C)CNC(=O)c1ccc([O-])c(OC)c1 ZINC000421924049 387504517 /nfs/dbraw/zinc/50/45/17/387504517.db2.gz WHZMNLAWFIJZDK-VIFPVBQESA-N -1 3 237.299 2.177 20 0 BEADHM C[C@H](NC(=O)c1cccc([O-])c1)c1cccnc1 ZINC000035122566 387549532 /nfs/dbraw/zinc/54/95/32/387549532.db2.gz CDOHZFVMMJCVAI-JTQLQIEISA-N -1 3 242.278 2.278 20 0 BEADHM Cc1cnc([C@H](C)[N-]c2nnc(C)o2)s1 ZINC000287923203 387551183 /nfs/dbraw/zinc/55/11/83/387551183.db2.gz QJTYUMKHGNXAPX-LURJTMIESA-N -1 3 224.289 2.316 20 0 BEADHM C[C@@H]1CN(C(=O)c2c([O-])cccc2O)[C@@H](C)[C@H]1C ZINC000399524118 387553062 /nfs/dbraw/zinc/55/30/62/387553062.db2.gz DQCNYBAHMDYVMM-UTLUCORTSA-N -1 3 249.310 2.214 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2C2CC2)c1 ZINC000431166728 387682825 /nfs/dbraw/zinc/68/28/25/387682825.db2.gz AJRDOCPFWFVFHA-CMPLNLGQSA-N -1 3 231.295 2.229 20 0 BEADHM CCc1oc2ccccc2c1CC(=O)[N-]OC ZINC000527822492 387745547 /nfs/dbraw/zinc/74/55/47/387745547.db2.gz SBSVRPIQYFEGDN-UHFFFAOYSA-N -1 3 233.267 2.215 20 0 BEADHM CCN(CC1CC1)C(=O)c1ccc([O-])c(OC)c1 ZINC000442642428 387810498 /nfs/dbraw/zinc/81/04/98/387810498.db2.gz AUZDQZAAGDWFKJ-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM COc1ccc([O-])c(C(=O)N(C)[C@H](C)C2CC2)c1 ZINC000053674264 387821026 /nfs/dbraw/zinc/82/10/26/387821026.db2.gz WWYAULXCODIJPX-SECBINFHSA-N -1 3 249.310 2.271 20 0 BEADHM CCc1nnc([N-]C(=O)c2cocc2C)s1 ZINC000528131058 387849900 /nfs/dbraw/zinc/84/99/00/387849900.db2.gz NCJVGZYUYDUNKG-UHFFFAOYSA-N -1 3 237.284 2.254 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)C2CC2)c1 ZINC000452559235 387858827 /nfs/dbraw/zinc/85/88/27/387858827.db2.gz QZRLAOSACPGLRJ-VIFPVBQESA-N -1 3 233.311 2.483 20 0 BEADHM Cc1ccc(C(=O)N[C@H]2CC[C@@H]2C)c([O-])c1 ZINC000393785262 387941164 /nfs/dbraw/zinc/94/11/64/387941164.db2.gz CDGFVLCRPTURFM-ONGXEEELSA-N -1 3 219.284 2.229 20 0 BEADHM CC(C)C(CN=c1ncnc2[nH][n-]cc1-2)C(C)C ZINC000446065669 387989088 /nfs/dbraw/zinc/98/90/88/387989088.db2.gz BFEILJPAKRVTJE-UHFFFAOYSA-N -1 3 247.346 2.067 20 0 BEADHM CC(C)[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448633612 388030917 /nfs/dbraw/zinc/03/09/17/388030917.db2.gz HFRGVNVOIILJTF-SECBINFHSA-N -1 3 239.290 2.235 20 0 BEADHM CC(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000071520531 388097587 /nfs/dbraw/zinc/09/75/87/388097587.db2.gz OMSNXDCXABEAGP-UHFFFAOYSA-N -1 3 218.260 2.044 20 0 BEADHM CC(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000071520531 388097590 /nfs/dbraw/zinc/09/75/90/388097590.db2.gz OMSNXDCXABEAGP-UHFFFAOYSA-N -1 3 218.260 2.044 20 0 BEADHM CCO[C@@H]1CCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000456933329 388234372 /nfs/dbraw/zinc/23/43/72/388234372.db2.gz BNBIOOIHHYBAQX-CHWSQXEVSA-N -1 3 249.310 2.080 20 0 BEADHM Cc1ccc([O-])c(NC(=O)/C=C/c2ccc[nH]2)n1 ZINC000492030781 388332085 /nfs/dbraw/zinc/33/20/85/388332085.db2.gz JLUMGSVUBQEAGQ-FNORWQNLSA-N -1 3 243.266 2.076 20 0 BEADHM O=C(/C=C\c1ccc[nH]1)[N-]OC1CCCC1 ZINC000491963001 388329802 /nfs/dbraw/zinc/32/98/02/388329802.db2.gz LQNJMBODCLQJCV-FPLPWBNLSA-N -1 3 220.272 2.018 20 0 BEADHM CC[C@@H]1CCC[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000451345308 388263768 /nfs/dbraw/zinc/26/37/68/388263768.db2.gz ROMSBVFFJWRMMW-MNOVXSKESA-N -1 3 248.326 2.230 20 0 BEADHM CCN(C(=O)/C=C\c1cncc([O-])c1)C(C)C ZINC000492393672 388343614 /nfs/dbraw/zinc/34/36/14/388343614.db2.gz DVYUIRWZKNYGCW-WAYWQWQTSA-N -1 3 234.299 2.057 20 0 BEADHM CC1(C)CCCN1C(=O)/C=C\c1cncc([O-])c1 ZINC000492432336 388344055 /nfs/dbraw/zinc/34/40/55/388344055.db2.gz AONHONBFDAYZIV-PLNGDYQASA-N -1 3 246.310 2.201 20 0 BEADHM CC(C)=CCCNC(=O)c1cccc([O-])c1 ZINC000276639934 388350502 /nfs/dbraw/zinc/35/05/02/388350502.db2.gz QLZQHJAPPXGWIO-UHFFFAOYSA-N -1 3 219.284 2.478 20 0 BEADHM Cc1ccc(F)c(CN(C)[C@@H](C)C(=O)[O-])c1 ZINC000235492757 388371137 /nfs/dbraw/zinc/37/11/37/388371137.db2.gz MEWAJSNDHPYJEO-VIFPVBQESA-N -1 3 225.263 2.039 20 0 BEADHM C[C@H]1CC[C@@H](CNC(=O)c2ccc(O)cc2[O-])C1 ZINC000235633608 388373035 /nfs/dbraw/zinc/37/30/35/388373035.db2.gz SHXDISLWWYDUCJ-VHSXEESVSA-N -1 3 249.310 2.264 20 0 BEADHM CCC[C@@H](O)CNCc1cccc([O-])c1Cl ZINC000293550160 388389652 /nfs/dbraw/zinc/38/96/52/388389652.db2.gz KZEITOHNQREOOB-SNVBAGLBSA-N -1 3 243.734 2.296 20 0 BEADHM CSC[C@H](C)C(=O)[N-]OCc1ccccc1 ZINC000066819541 388403616 /nfs/dbraw/zinc/40/36/16/388403616.db2.gz NXVGTEFBHJFKKZ-JTQLQIEISA-N -1 3 239.340 2.234 20 0 BEADHM O=C(Nc1ncccc1[O-])[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246146754 388439211 /nfs/dbraw/zinc/43/92/11/388439211.db2.gz GWPQSYOQTUGYTB-JZYVYDRUSA-N -1 3 232.283 2.162 20 0 BEADHM COC[C@@H](C)NCc1cccc([O-])c1Cl ZINC000339330429 388482276 /nfs/dbraw/zinc/48/22/76/388482276.db2.gz BRYCRZIIVIPJMQ-MRVPVSSYSA-N -1 3 229.707 2.170 20 0 BEADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1[O-] ZINC000648904355 388488274 /nfs/dbraw/zinc/48/82/74/388488274.db2.gz NLTHBTOEVFXMLV-GMSGAONNSA-N -1 3 233.267 2.189 20 0 BEADHM Cc1noc(C)c1C=Cc1nc(C)cc(=O)[n-]1 ZINC000550006967 388596972 /nfs/dbraw/zinc/59/69/72/388596972.db2.gz LDMNKJDSWUSKJK-PLNGDYQASA-N -1 3 231.255 2.266 20 0 BEADHM CCCCCN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530165093 388618488 /nfs/dbraw/zinc/61/84/88/388618488.db2.gz DJVBSRGQMGFWKQ-GFCCVEGCSA-N -1 3 237.299 2.454 20 0 BEADHM CC1(C)CC(Cn2cc(Cl)c(=O)[n-]c2=O)C1 ZINC000530106771 388608651 /nfs/dbraw/zinc/60/86/51/388608651.db2.gz NXSXHGLMIUCGEU-UHFFFAOYSA-N -1 3 242.706 2.039 20 0 BEADHM CC1(C)CC(CNC(=O)c2ccc(O)cc2[O-])C1 ZINC000548711491 388553907 /nfs/dbraw/zinc/55/39/07/388553907.db2.gz DDWPQADGNAICPO-UHFFFAOYSA-N -1 3 249.310 2.264 20 0 BEADHM Cc1cccc(C(=O)NCC2(C)CC2)c1[O-] ZINC000223638647 388655583 /nfs/dbraw/zinc/65/55/83/388655583.db2.gz UWLLNDUGCWSZLW-UHFFFAOYSA-N -1 3 219.284 2.231 20 0 BEADHM CC[C@H](C)[C@H](C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000552999589 388744008 /nfs/dbraw/zinc/74/40/08/388744008.db2.gz OEOXBMOUKFECHF-QWRGUYRKSA-N -1 3 245.326 2.377 20 0 BEADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCCO1 ZINC000128340173 388748886 /nfs/dbraw/zinc/74/88/86/388748886.db2.gz RASFFOAXGAKDDW-SNVBAGLBSA-N -1 3 239.246 2.039 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CCOC1 ZINC000552434266 388708354 /nfs/dbraw/zinc/70/83/54/388708354.db2.gz HGPGAKKWACMMSR-ZETCQYMHSA-N -1 3 241.674 2.021 20 0 BEADHM Cc1ccc([O-])c(CN[C@@H](C)C(F)(F)F)n1 ZINC000288573000 388804585 /nfs/dbraw/zinc/80/45/85/388804585.db2.gz ZVVJTIDWSRESMD-ZETCQYMHSA-N -1 3 234.221 2.136 20 0 BEADHM CC[C@]1(C)C[C@H]1C(=O)N=c1cc2ccccn2[n-]1 ZINC000553331000 388762838 /nfs/dbraw/zinc/76/28/38/388762838.db2.gz PJESNLQXNHKWTN-SMDDNHRTSA-N -1 3 243.310 2.131 20 0 BEADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCS1 ZINC000129172089 388821575 /nfs/dbraw/zinc/82/15/75/388821575.db2.gz ITQXGOUKMMENKA-VIFPVBQESA-N -1 3 241.287 2.365 20 0 BEADHM O=C(Nc1cccc([O-])c1F)c1ccc[nH]1 ZINC000129253988 388828305 /nfs/dbraw/zinc/82/83/05/388828305.db2.gz QIGKNZSNNWTTHL-UHFFFAOYSA-N -1 3 220.203 2.112 20 0 BEADHM Cn1cccc1C(=O)Nc1cccc([O-])c1F ZINC000129694628 388866243 /nfs/dbraw/zinc/86/62/43/388866243.db2.gz WJTKKERKHNZKKQ-UHFFFAOYSA-N -1 3 234.230 2.122 20 0 BEADHM CN(Cc1ncccc1[O-])CC(C)(C)C ZINC000564612066 388879837 /nfs/dbraw/zinc/87/98/37/388879837.db2.gz LRKQPPDQBNIFKH-UHFFFAOYSA-N -1 3 208.305 2.265 20 0 BEADHM CCN(Cc1nc(C)ccc1[O-])CC(F)F ZINC000273494260 389041482 /nfs/dbraw/zinc/04/14/82/389041482.db2.gz NVRFAHHUNSDKEC-UHFFFAOYSA-N -1 3 230.258 2.183 20 0 BEADHM Cc1ccc(C(=O)Nc2cncc(F)c2)c([O-])c1 ZINC000305992320 533618985 /nfs/dbraw/zinc/61/89/85/533618985.db2.gz UMXQYCMFPLZCQI-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C(C)(C)C(F)F)n1 ZINC000336068960 134071324 /nfs/dbraw/zinc/07/13/24/134071324.db2.gz ZTMUQVYCNAQQNG-UHFFFAOYSA-N -1 3 244.241 2.325 20 0 BEADHM O=C(Nc1ccccc1[O-])[C@H]1CCCOCC1 ZINC000336109518 134085760 /nfs/dbraw/zinc/08/57/60/134085760.db2.gz MOJQSFWSIBBQQF-JTQLQIEISA-N -1 3 235.283 2.147 20 0 BEADHM CC(C)n1ccc(C(=O)Nc2ccccc2[O-])n1 ZINC000336157158 134106081 /nfs/dbraw/zinc/10/60/81/134106081.db2.gz UBLGQUISFOPXMF-UHFFFAOYSA-N -1 3 245.282 2.422 20 0 BEADHM COc1cccc(C(=O)N2[C@@H](C)C[C@@H]2C)c1[O-] ZINC000336157955 134106508 /nfs/dbraw/zinc/10/65/08/134106508.db2.gz PFVPVXXSFFMEEZ-IUCAKERBSA-N -1 3 235.283 2.024 20 0 BEADHM COc1cccc(C(=O)N2CCC23CCC3)c1[O-] ZINC000336158064 134106835 /nfs/dbraw/zinc/10/68/35/134106835.db2.gz KBDXZYSHOFFMBR-UHFFFAOYSA-N -1 3 247.294 2.169 20 0 BEADHM COc1ccc(C(=O)N2[C@H](C)C[C@@H]2C)c([O-])c1 ZINC000336157567 134106883 /nfs/dbraw/zinc/10/68/83/134106883.db2.gz KOZPCQZXZZZMMW-DTORHVGOSA-N -1 3 235.283 2.024 20 0 BEADHM COc1cc(C(=O)N2CC[C@H]2C(C)C)ccc1[O-] ZINC000336171233 134115043 /nfs/dbraw/zinc/11/50/43/134115043.db2.gz TWEPWSBNCZGNTP-NSHDSACASA-N -1 3 249.310 2.271 20 0 BEADHM CC1=C[C@H](C)CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000336183608 134120840 /nfs/dbraw/zinc/12/08/40/134120840.db2.gz NFESDFHEEOKKRX-VIFPVBQESA-N -1 3 247.294 2.136 20 0 BEADHM CN(C(=O)Cc1ccc([O-])c(F)c1)C1CCC1 ZINC000336217262 134137339 /nfs/dbraw/zinc/13/73/39/134137339.db2.gz VSCUWGMFQXEBEU-UHFFFAOYSA-N -1 3 237.274 2.085 20 0 BEADHM CC[C@H]1COCCN1Cc1cc([O-])cc(F)c1 ZINC000184148917 134359008 /nfs/dbraw/zinc/35/90/08/134359008.db2.gz AROHCHIGRNQARU-LBPRGKRZSA-N -1 3 239.290 2.142 20 0 BEADHM CC1(C)CN(Cc2cc([O-])cc(F)c2)CCO1 ZINC000184148875 134359283 /nfs/dbraw/zinc/35/92/83/134359283.db2.gz QAQMELDHUBRRTI-UHFFFAOYSA-N -1 3 239.290 2.142 20 0 BEADHM Cc1cc(C(=O)NCCC(F)(F)F)ccc1[O-] ZINC000227036310 134373496 /nfs/dbraw/zinc/37/34/96/134373496.db2.gz PWKHMCPKXFFOMR-UHFFFAOYSA-N -1 3 247.216 2.383 20 0 BEADHM CSCCCCNC(=O)c1cccc([O-])c1 ZINC000163674301 135043272 /nfs/dbraw/zinc/04/32/72/135043272.db2.gz SNKMRMBSLGTQCO-UHFFFAOYSA-N -1 3 239.340 2.265 20 0 BEADHM C[C@@H]1C[C@H](C)N(C(=O)c2cccc([O-])c2)C1 ZINC000163676154 135044883 /nfs/dbraw/zinc/04/48/83/135044883.db2.gz VEOAJHZESWFBNE-ZJUUUORDSA-N -1 3 219.284 2.263 20 0 BEADHM CC1(c2noc(-c3ccccc3[O-])n2)CC1 ZINC000087554248 135152971 /nfs/dbraw/zinc/15/29/71/135152971.db2.gz IKRGDRBLOONDFD-UHFFFAOYSA-N -1 3 216.240 2.494 20 0 BEADHM CC[C@](C)(NCCC(=O)[O-])c1nc(C)cs1 ZINC000261589397 135230141 /nfs/dbraw/zinc/23/01/41/135230141.db2.gz TXSGZMQVYUKADC-NSHDSACASA-N -1 3 242.344 2.141 20 0 BEADHM Cc1nnc(Sc2ccc([O-])cc2)nc1C ZINC000164430932 135276935 /nfs/dbraw/zinc/27/69/35/135276935.db2.gz KIRBUTCGGVFEDB-UHFFFAOYSA-N -1 3 233.296 2.345 20 0 BEADHM Cc1[n-]nc(C(C)C)c1C(=O)OC(C)C ZINC000342689714 135305202 /nfs/dbraw/zinc/30/52/02/135305202.db2.gz VAUSVUFWDNNXJV-UHFFFAOYSA-N -1 3 210.277 2.407 20 0 BEADHM Cc1n[n-]c(C(C)C)c1C(=O)OC(C)C ZINC000342689714 135305203 /nfs/dbraw/zinc/30/52/03/135305203.db2.gz VAUSVUFWDNNXJV-UHFFFAOYSA-N -1 3 210.277 2.407 20 0 BEADHM CC[C@@H]1CCN1Cc1cccc(C(=O)[O-])c1 ZINC000263446747 135355230 /nfs/dbraw/zinc/35/52/30/135355230.db2.gz YAYGPEXNECDKJT-GFCCVEGCSA-N -1 3 219.284 2.369 20 0 BEADHM CC1=C[C@H](C)CN(C(=O)c2c([O-])cccc2O)C1 ZINC000334393763 135385640 /nfs/dbraw/zinc/38/56/40/135385640.db2.gz VHKVBDYSGRMYIN-VIFPVBQESA-N -1 3 247.294 2.136 20 0 BEADHM CC1=C[C@@H](C)CN(C(=O)c2c([O-])cccc2O)C1 ZINC000334393757 135385783 /nfs/dbraw/zinc/38/57/83/135385783.db2.gz VHKVBDYSGRMYIN-SECBINFHSA-N -1 3 247.294 2.136 20 0 BEADHM C[C@]1(C(=O)Nc2ccccc2[O-])C[C@H]1F ZINC000335178359 135933389 /nfs/dbraw/zinc/93/33/89/135933389.db2.gz USUKCWOUSDJHAE-KOLCDFICSA-N -1 3 209.220 2.079 20 0 BEADHM CCc1cnc(CNCc2ncccc2[O-])s1 ZINC000348044876 136029619 /nfs/dbraw/zinc/02/96/19/136029619.db2.gz QKXCONOGJSRLNN-UHFFFAOYSA-N -1 3 249.339 2.096 20 0 BEADHM CC[C@@H]1CCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000335576044 136110985 /nfs/dbraw/zinc/11/09/85/136110985.db2.gz COEJKSZUTIJDFI-LLVKDONJSA-N -1 3 249.310 2.415 20 0 BEADHM Cc1cc(CNCc2cnc(C)[n-]c2=O)cs1 ZINC000449233103 397953114 /nfs/dbraw/zinc/95/31/14/397953114.db2.gz KFNVABOOFZBPQV-UHFFFAOYSA-N -1 3 249.339 2.150 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCC23CCCC3)n1 ZINC000649657655 398026087 /nfs/dbraw/zinc/02/60/87/398026087.db2.gz IIYLEQOHYUBBQN-UHFFFAOYSA-N -1 3 247.342 2.263 20 0 BEADHM CN(Cc1ccco1)C(=O)c1cccc([O-])c1 ZINC000035122298 398079911 /nfs/dbraw/zinc/07/99/11/398079911.db2.gz JDDVBMMTVBPNCG-UHFFFAOYSA-N -1 3 231.251 2.257 20 0 BEADHM CCc1cc(C(=O)NC[C@@H]2C[C@@H]2C)ccc1[O-] ZINC000291559897 398094840 /nfs/dbraw/zinc/09/48/40/398094840.db2.gz XSTLVWHGPZSXSI-CABZTGNLSA-N -1 3 233.311 2.340 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2CC3(CC3)C2)c1 ZINC000334857534 487572646 /nfs/dbraw/zinc/57/26/46/487572646.db2.gz VRZDWUFLVCVKOQ-UHFFFAOYSA-N -1 3 231.295 2.191 20 0 BEADHM CC(C)O[N-]C(=O)/C=C/c1c(F)cccc1F ZINC000296813989 167273404 /nfs/dbraw/zinc/27/34/04/167273404.db2.gz FWLPXPGKDFPKMU-VOTSOKGWSA-N -1 3 241.237 2.434 20 0 BEADHM CC(=O)Nc1ccc(Br)cc1[O-] ZINC000048576513 409912940 /nfs/dbraw/zinc/91/29/40/409912940.db2.gz NGWQORXGFYPCDR-UHFFFAOYSA-N -1 3 230.061 2.113 20 0 BEADHM CC12CC(C1)CN2Cc1ccsc1C(=O)[O-] ZINC000663316222 410109636 /nfs/dbraw/zinc/10/96/36/410109636.db2.gz UYVJICWMACLXLG-UHFFFAOYSA-N -1 3 237.324 2.431 20 0 BEADHM C[C@H](NC(=O)Cc1cncc([O-])c1)C1CCCC1 ZINC000655391784 410194846 /nfs/dbraw/zinc/19/48/46/410194846.db2.gz SXKNRCWHKLBPIE-JTQLQIEISA-N -1 3 248.326 2.025 20 0 BEADHM CC[C@@H]1CC[C@H](C)N1C(=O)Cc1cncc([O-])c1 ZINC000655393563 410198093 /nfs/dbraw/zinc/19/80/93/410198093.db2.gz GYEMCBIKGCKSQL-CMPLNLGQSA-N -1 3 248.326 2.119 20 0 BEADHM CCO[N-]C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000116169433 410264353 /nfs/dbraw/zinc/26/43/53/410264353.db2.gz IRUVEUISDVROLI-SECBINFHSA-N -1 3 225.263 2.387 20 0 BEADHM CC(C)CNCc1c(F)ccc([O-])c1F ZINC000294253347 167008798 /nfs/dbraw/zinc/00/87/98/167008798.db2.gz NLEKOHXRLRDBFA-UHFFFAOYSA-N -1 3 215.243 2.416 20 0 BEADHM CC(C)O[N-]C(=O)/C=C/c1ccc(F)c(F)c1 ZINC000296732656 167274626 /nfs/dbraw/zinc/27/46/26/167274626.db2.gz AFWPQMHWUQXAJH-GQCTYLIASA-N -1 3 241.237 2.434 20 0 BEADHM CC(C)O[N-]C(=O)Cc1cccc(Cl)c1 ZINC000294281766 167275571 /nfs/dbraw/zinc/27/55/71/167275571.db2.gz YMOUVJQFHBOECD-UHFFFAOYSA-N -1 3 227.691 2.339 20 0 BEADHM CC(C)O[N-]C(=O)Cc1ccc(Cl)cc1 ZINC000294067090 167276961 /nfs/dbraw/zinc/27/69/61/167276961.db2.gz KMWILCROSYSGJE-UHFFFAOYSA-N -1 3 227.691 2.339 20 0 BEADHM CC(C)O[N-]C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000295526851 167278214 /nfs/dbraw/zinc/27/82/14/167278214.db2.gz JEBXMXRMNJVNIH-HIFRSBDPSA-N -1 3 245.322 2.347 20 0 BEADHM CC(C)O[N-]C(=O)c1cc(F)c(F)cc1F ZINC000295523521 167278466 /nfs/dbraw/zinc/27/84/66/167278466.db2.gz IUDWSHGSDPVXNJ-UHFFFAOYSA-N -1 3 233.189 2.174 20 0 BEADHM CC(C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000172155949 167354535 /nfs/dbraw/zinc/35/45/35/167354535.db2.gz LAEZUEQCGMHOMB-MRVPVSSYSA-N -1 3 208.261 2.018 20 0 BEADHM CC(C)[C@@H](C)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000221634743 167365684 /nfs/dbraw/zinc/36/56/84/167365684.db2.gz RGTMJEAXEJHXSH-SECBINFHSA-N -1 3 237.299 2.214 20 0 BEADHM O=C(N[C@@H]1CCCC1(F)F)c1cccc([O-])c1 ZINC000398394339 410961917 /nfs/dbraw/zinc/96/19/17/410961917.db2.gz SGXBCTRGDOZVOQ-SNVBAGLBSA-N -1 3 241.237 2.310 20 0 BEADHM CC(C)c1cnc(CNC[C@H](C)C(=O)[O-])s1 ZINC000656095003 411175791 /nfs/dbraw/zinc/17/57/91/411175791.db2.gz FNYLNZRRTZMSHJ-QMMMGPOBSA-N -1 3 242.344 2.077 20 0 BEADHM C[C@H](CNCc1ccc([C@@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000656095669 411176799 /nfs/dbraw/zinc/17/67/99/411176799.db2.gz ORHDAZFCHIGKCP-FXPVBKGRSA-N -1 3 237.299 2.213 20 0 BEADHM Cc1ccc(NC(=O)c2ccnc(C)n2)c([O-])c1 ZINC000048608917 411207207 /nfs/dbraw/zinc/20/72/07/411207207.db2.gz YZLOVUOTXUSFKT-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM Cc1noc([N-]C(=O)c2ccc(Cl)s2)n1 ZINC000048699729 411209369 /nfs/dbraw/zinc/20/93/69/411209369.db2.gz BFWDXWDYRGOQSG-UHFFFAOYSA-N -1 3 243.675 2.345 20 0 BEADHM C[C@@H]1SCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000309849782 411276927 /nfs/dbraw/zinc/27/69/27/411276927.db2.gz WWOVHNKSYWIXRQ-KWQFWETISA-N -1 3 237.324 2.016 20 0 BEADHM CCN(C(=O)c1cccc([O-])c1)[C@@H]1CCCOC1 ZINC000402686916 411308649 /nfs/dbraw/zinc/30/86/49/411308649.db2.gz KAGSGIKASFIPKT-GFCCVEGCSA-N -1 3 249.310 2.033 20 0 BEADHM Cc1ccc([O-])c(CN2CC3(CC(F)C3)C2)n1 ZINC000656693933 411331472 /nfs/dbraw/zinc/33/14/72/411331472.db2.gz HQQJIZHWNBHKGJ-UHFFFAOYSA-N -1 3 236.290 2.030 20 0 BEADHM Cc1ccnc(CN(CCC(=O)[O-])C(C)C)c1 ZINC000652478407 411252630 /nfs/dbraw/zinc/25/26/30/411252630.db2.gz ARRXWPHYXBZUJY-UHFFFAOYSA-N -1 3 236.315 2.075 20 0 BEADHM CC1(C)[C@@H]2CN(C(=O)c3cccc([O-])c3)C[C@@H]21 ZINC000182509734 168012202 /nfs/dbraw/zinc/01/22/02/168012202.db2.gz ALAKXFSACPOTAX-TXEJJXNPSA-N -1 3 231.295 2.120 20 0 BEADHM CC1(CNC(=O)c2ccc(O)cc2[O-])CCC1 ZINC000176110667 168038279 /nfs/dbraw/zinc/03/82/79/168038279.db2.gz LDAGVSXLZADGCO-UHFFFAOYSA-N -1 3 235.283 2.018 20 0 BEADHM CC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC000082419719 168060851 /nfs/dbraw/zinc/06/08/51/168060851.db2.gz PYCQDEBJZIKAMR-UHFFFAOYSA-N -1 3 219.284 2.455 20 0 BEADHM CC1(NC(=O)c2cccc([O-])c2)CCC1 ZINC000163687830 168061744 /nfs/dbraw/zinc/06/17/44/168061744.db2.gz SFKWWVXQHPAUKZ-UHFFFAOYSA-N -1 3 205.257 2.065 20 0 BEADHM CC1=C[C@H](C)CN(C(=O)c2ccccc2[O-])C1 ZINC000336488697 168128541 /nfs/dbraw/zinc/12/85/41/168128541.db2.gz CTTYWIFCVMSXON-JTQLQIEISA-N -1 3 231.295 2.430 20 0 BEADHM CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000011639226 168175905 /nfs/dbraw/zinc/17/59/05/168175905.db2.gz HVRMOVFLKAYWRG-UHFFFAOYSA-N -1 3 219.284 2.264 20 0 BEADHM CC1CCN(Cc2occc2C(=O)[O-])CC1 ZINC000035432913 168183827 /nfs/dbraw/zinc/18/38/27/168183827.db2.gz JZUOAPAOCMBHFP-UHFFFAOYSA-N -1 3 223.272 2.210 20 0 BEADHM CCC(=CC(=O)[N-]O[C@@H]1CCCCO1)CC ZINC000268301411 168194558 /nfs/dbraw/zinc/19/45/58/168194558.db2.gz XYYWXYFGSNRHGS-GFCCVEGCSA-N -1 3 227.304 2.307 20 0 BEADHM CCC(C)(C)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000227637595 168284918 /nfs/dbraw/zinc/28/49/18/168284918.db2.gz CLFGTJOGHLMXOY-UHFFFAOYSA-N -1 3 237.299 2.358 20 0 BEADHM CCC(C)(C)N(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000336389889 168284929 /nfs/dbraw/zinc/28/49/29/168284929.db2.gz GPCJWWPBIYYWKD-UHFFFAOYSA-N -1 3 246.314 2.219 20 0 BEADHM CCC(C)(C)[N-]S(=O)(=O)c1ccccc1F ZINC000007376732 168301021 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585016584 /nfs/dbraw/zinc/01/65/84/585016584.db2.gz CJJTYZIJNYQLGQ-LBPRGKRZSA-N -1 3 248.326 2.261 20 0 BEADHM C[C@H](NCCN(C(=O)[O-])C1CC1)c1ccoc1 ZINC000825497163 585029254 /nfs/dbraw/zinc/02/92/54/585029254.db2.gz YZZDCHDPVBXVAP-VIFPVBQESA-N -1 3 238.287 2.073 20 0 BEADHM CN(C)CCN(CC1CCCCC1)C(=O)[O-] ZINC000737370500 585031010 /nfs/dbraw/zinc/03/10/10/585031010.db2.gz RGYOMQTVVVZBNA-UHFFFAOYSA-N -1 3 228.336 2.108 20 0 BEADHM [O-]c1ccc(F)c(CN2CC(C(F)F)C2)c1F ZINC000839140597 585094275 /nfs/dbraw/zinc/09/42/75/585094275.db2.gz HIZSNTPTFJVXNB-UHFFFAOYSA-N -1 3 249.207 2.367 20 0 BEADHM O=c1ccnc(C=Cc2cccc3c2OCO3)[n-]1 ZINC000742220487 585123372 /nfs/dbraw/zinc/12/33/72/585123372.db2.gz OFRLPDCXPSKBLB-PLNGDYQASA-N -1 3 242.234 2.081 20 0 BEADHM O=c1ccnc(C=Cc2ccc(F)cc2)[n-]1 ZINC000742221523 585123440 /nfs/dbraw/zinc/12/34/40/585123440.db2.gz MVLACVGWJPSUQT-ZZXKWVIFSA-N -1 3 216.215 2.492 20 0 BEADHM Cc1cnc(COC(=O)c2ccc([O-])cc2)o1 ZINC000744475622 585150917 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585430972 /nfs/dbraw/zinc/43/09/72/585430972.db2.gz DGMQAEOQRDFMCQ-UHFFFAOYSA-N -1 3 249.245 2.069 20 0 BEADHM CCC/C(C)=C/C(=O)Nc1ncccc1[O-] ZINC000762783785 585437037 /nfs/dbraw/zinc/43/70/37/585437037.db2.gz JEDJWYRUWQUCHU-CMDGGOBGSA-N -1 3 220.272 2.472 20 0 BEADHM C/C=C/CSCc1nc(C)cc(=O)[n-]1 ZINC000763209620 585444592 /nfs/dbraw/zinc/44/45/92/585444592.db2.gz SREHZRAXONIARG-ONEGZZNKSA-N -1 3 210.302 2.300 20 0 BEADHM O=C(OC/C(Cl)=C/Cl)c1cncc([O-])c1 ZINC000763973730 585458002 /nfs/dbraw/zinc/45/80/02/585458002.db2.gz SNQGCAHIAIIOLU-UQCOIBPSSA-N -1 3 248.065 2.263 20 0 BEADHM O=c1ccnc(C=C2COc3ccc(F)cc32)[n-]1 ZINC000764437298 585465546 /nfs/dbraw/zinc/46/55/46/585465546.db2.gz YKEXPBMGJUUAPB-VMPITWQZSA-N -1 3 244.225 2.254 20 0 BEADHM COCc1cccc(C=Cc2nccc(=O)[n-]2)c1 ZINC000764441271 585465607 /nfs/dbraw/zinc/46/56/07/585465607.db2.gz FQWQHHNHFIFSHS-WAYWQWQTSA-N -1 3 242.278 2.499 20 0 BEADHM Cc1ncccc1C=Cc1nccc(=O)[n-]1 ZINC000764441667 585465613 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CC[C@@H](C)CO[N-]C(=O)[C@H](CC)N(CC)CC ZINC000816976215 586776411 /nfs/dbraw/zinc/77/64/11/586776411.db2.gz YVUKORJOHYBHJI-NEPJUHHUSA-N -1 3 244.379 2.201 20 0 BEADHM C[C@H]1CC[C@@H](CC(=O)[N-]OCC2CC2)C1 ZINC000817344398 586797739 /nfs/dbraw/zinc/79/77/39/586797739.db2.gz DPIZUZPKBZJYOE-GXSJLCMTSA-N -1 3 211.305 2.271 20 0 BEADHM CO/C(=C\c1ccccc1)C(=O)[N-]OCC1CC1 ZINC000817344790 586798014 /nfs/dbraw/zinc/79/80/14/586798014.db2.gz UQAQPSJQJXBMEY-LCYFTJDESA-N -1 3 247.294 2.132 20 0 BEADHM C[C@]1(C(=O)[N-]OCCC2CC2)C[C@H]2C[C@H]2C1 ZINC000817379702 586799461 /nfs/dbraw/zinc/79/94/61/586799461.db2.gz XYTQWAXDSKNWEG-PJXYFTJBSA-N -1 3 223.316 2.271 20 0 BEADHM O=C([N-]OCCC1CC1)C12CCC(CC1)C2 ZINC000817379459 586799492 /nfs/dbraw/zinc/79/94/92/586799492.db2.gz OFCDAMNXVAQRFB-UHFFFAOYSA-N -1 3 223.316 2.415 20 0 BEADHM C[C@@H]1CC[C@@H](CCC(=O)[N-]OCCC2CC2)O1 ZINC000817383624 586800158 /nfs/dbraw/zinc/80/01/58/586800158.db2.gz RLJQNFYDOJGLFR-PWSUYJOCSA-N -1 3 241.331 2.182 20 0 BEADHM C[C@H](CC(=O)[N-]OCCC1CC1)C1CC1 ZINC000817407774 586800930 /nfs/dbraw/zinc/80/09/30/586800930.db2.gz BHVLTVSELOBBHH-SECBINFHSA-N -1 3 211.305 2.271 20 0 BEADHM CCc1ccc([O-])c(C(=O)NOCCC2CC2)c1 ZINC000817413630 586801393 /nfs/dbraw/zinc/80/13/93/586801393.db2.gz XKXZHZLBADFSGF-UHFFFAOYSA-N -1 3 249.310 2.416 20 0 BEADHM C=C/C(C)=C\CC(=O)[N-]OCCC1CC1 ZINC000817412964 586802042 /nfs/dbraw/zinc/80/20/42/586802042.db2.gz JTRLGGOWAGERDH-WMZJFQQLSA-N -1 3 209.289 2.357 20 0 BEADHM O=C([N-]OCCC1CC1)c1scnc1Cl ZINC000817437491 586805498 /nfs/dbraw/zinc/80/54/98/586805498.db2.gz MTAHPXWDLMBQLT-UHFFFAOYSA-N -1 3 246.719 2.258 20 0 BEADHM C[C@H]1CCC[C@@H](NC(=O)c2ccc(N)cc2[O-])C1 ZINC000817912813 586838445 /nfs/dbraw/zinc/83/84/45/586838445.db2.gz JJVKBJVAYBRTIR-GXSJLCMTSA-N -1 3 248.326 2.283 20 0 BEADHM CC(C)CCN(C)C(=O)c1ccc(N)cc1[O-] ZINC000817913405 586839286 /nfs/dbraw/zinc/83/92/86/586839286.db2.gz OMLORTDUVAKBJH-UHFFFAOYSA-N -1 3 236.315 2.093 20 0 BEADHM CC1(NC(=O)c2ccc(N)cc2[O-])CCCCC1 ZINC000817922771 586840135 /nfs/dbraw/zinc/84/01/35/586840135.db2.gz LSMVHBFCULSBJN-UHFFFAOYSA-N -1 3 248.326 2.427 20 0 BEADHM CCC1CCN(C(=O)c2ccc(N)cc2[O-])CC1 ZINC000817925260 586841464 /nfs/dbraw/zinc/84/14/64/586841464.db2.gz UKRKZMOWJPYBAV-UHFFFAOYSA-N -1 3 248.326 2.237 20 0 BEADHM C[C@H]1CCCN(C(=O)c2ccc(N)cc2[O-])[C@H]1C ZINC000817932153 586843272 /nfs/dbraw/zinc/84/32/72/586843272.db2.gz RJXSMVCRERJGCU-UWVGGRQHSA-N -1 3 248.326 2.235 20 0 BEADHM CC1(CNC(=O)c2ccc(N)cc2[O-])CCCC1 ZINC000817935395 586843528 /nfs/dbraw/zinc/84/35/28/586843528.db2.gz VDUIJVJSJXKGQF-UHFFFAOYSA-N -1 3 248.326 2.285 20 0 BEADHM CC(C)C[C@@H](C)NC(=O)c1ccc(N)cc1[O-] ZINC000817996731 586863192 /nfs/dbraw/zinc/86/31/92/586863192.db2.gz HCVUOXRBEQEULF-SECBINFHSA-N -1 3 236.315 2.139 20 0 BEADHM CCOC([O-])=NOC[C@@H]1CCC[C@H](C)C1 ZINC000818107160 586874167 /nfs/dbraw/zinc/87/41/67/586874167.db2.gz KUKGRNHTYADHNV-VHSXEESVSA-N -1 3 215.293 2.490 20 0 BEADHM CCOC(=O)[N-]OC[C@@H]1CCC[C@H](C)C1 ZINC000818107160 586874168 /nfs/dbraw/zinc/87/41/68/586874168.db2.gz KUKGRNHTYADHNV-VHSXEESVSA-N -1 3 215.293 2.490 20 0 BEADHM CCOC([O-])=NOCCOc1ccc(C)cc1 ZINC000818106348 586874611 /nfs/dbraw/zinc/87/46/11/586874611.db2.gz LGAWAALFCWXJMW-UHFFFAOYSA-N -1 3 239.271 2.052 20 0 BEADHM CCOC(=O)[N-]OCCOc1ccc(C)cc1 ZINC000818106348 586874612 /nfs/dbraw/zinc/87/46/12/586874612.db2.gz LGAWAALFCWXJMW-UHFFFAOYSA-N -1 3 239.271 2.052 20 0 BEADHM Cc1cccc([O-])c1NC(=O)/C=C/[C@H]1CCCO1 ZINC000819458001 586966300 /nfs/dbraw/zinc/96/63/00/586966300.db2.gz NCZGLSJKNQGIRO-WSKFYRRCSA-N -1 3 247.294 2.374 20 0 BEADHM C[C@@H](CC(=O)[N-]C1=NC[C@@H](C)S1)C1CC1 ZINC000819766432 586991713 /nfs/dbraw/zinc/99/17/13/586991713.db2.gz OGJFVNHVXUFCAM-JGVFFNPUSA-N -1 3 226.345 2.030 20 0 BEADHM CC[C@@H](C)CC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819779928 586994096 /nfs/dbraw/zinc/99/40/96/586994096.db2.gz BJTPZAVSZLKBFO-SFYZADRCSA-N -1 3 214.334 2.030 20 0 BEADHM C[C@@H](CC(=O)[O-])N[C@@H](C)c1cccc(F)c1F ZINC000820071958 587017016 /nfs/dbraw/zinc/01/70/16/587017016.db2.gz LLCDFKSRAAHJAP-YUMQZZPRSA-N -1 3 243.253 2.479 20 0 BEADHM CC[C@@H](NCC(=O)[O-])c1cc(F)ccc1F ZINC000820285276 587040853 /nfs/dbraw/zinc/04/08/53/587040853.db2.gz XWRHUFYHZHZFGO-SNVBAGLBSA-N -1 3 229.226 2.090 20 0 BEADHM CCc1nc([C@@H](C)N[C@@H](C)CC(=O)[O-])cs1 ZINC000820492780 587051317 /nfs/dbraw/zinc/05/13/17/587051317.db2.gz QRUPIQRPYQLERM-JGVFFNPUSA-N -1 3 242.344 2.219 20 0 BEADHM C[C@@H]1C[C@H]1Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820678810 587065839 /nfs/dbraw/zinc/06/58/39/587065839.db2.gz YPFLCMDCVFGIRP-HZGVNTEJSA-N -1 3 249.705 2.340 20 0 BEADHM C[C@@H]1C[C@H]1Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820678810 587065841 /nfs/dbraw/zinc/06/58/41/587065841.db2.gz YPFLCMDCVFGIRP-HZGVNTEJSA-N -1 3 249.705 2.340 20 0 BEADHM CC[C@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000820862645 587078102 /nfs/dbraw/zinc/07/81/02/587078102.db2.gz QVXZRRKTHUMGCO-IUCAKERBSA-N -1 3 246.318 2.108 20 0 BEADHM CC[C@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000820862645 587078103 /nfs/dbraw/zinc/07/81/03/587078103.db2.gz QVXZRRKTHUMGCO-IUCAKERBSA-N -1 3 246.318 2.108 20 0 BEADHM CC[C@H](C)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820876997 587079124 /nfs/dbraw/zinc/07/91/24/587079124.db2.gz XXXCCSHIZRIWFJ-ZETCQYMHSA-N -1 3 235.266 2.216 20 0 BEADHM CC[C@H](C)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820876997 587079126 /nfs/dbraw/zinc/07/91/26/587079126.db2.gz XXXCCSHIZRIWFJ-ZETCQYMHSA-N -1 3 235.266 2.216 20 0 BEADHM CCC[C@H]1C[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821040745 587090695 /nfs/dbraw/zinc/09/06/95/587090695.db2.gz QTNOFVDSHYOYNE-JQWIXIFHSA-N -1 3 243.314 2.467 20 0 BEADHM CCC[C@H]1C[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821040745 587090697 /nfs/dbraw/zinc/09/06/97/587090697.db2.gz QTNOFVDSHYOYNE-JQWIXIFHSA-N -1 3 243.314 2.467 20 0 BEADHM CCNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821309672 587107014 /nfs/dbraw/zinc/10/70/14/587107014.db2.gz QNRYIXNROVUDNY-UHFFFAOYSA-N -1 3 247.302 2.086 20 0 BEADHM CCNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821309672 587107015 /nfs/dbraw/zinc/10/70/15/587107015.db2.gz QNRYIXNROVUDNY-UHFFFAOYSA-N -1 3 247.302 2.086 20 0 BEADHM CC1(CCC(=O)Nc2cccc3n[n-]nc32)CC1 ZINC000821363786 587112236 /nfs/dbraw/zinc/11/22/36/587112236.db2.gz QJZPWSBNEQLSTM-UHFFFAOYSA-N -1 3 244.298 2.477 20 0 BEADHM O=C([O-])CCCCN(Cc1cccnc1)C1CC1 ZINC000821517946 587124512 /nfs/dbraw/zinc/12/45/12/587124512.db2.gz GPQXOUNZEPGBAC-UHFFFAOYSA-N -1 3 248.326 2.301 20 0 BEADHM O=C([O-])CCCCN(Cc1ccncc1)C1CC1 ZINC000821517925 587124921 /nfs/dbraw/zinc/12/49/21/587124921.db2.gz CIHKCAUXNSKHPQ-UHFFFAOYSA-N -1 3 248.326 2.301 20 0 BEADHM O=C([O-])CCCCNCc1cccnc1Cl ZINC000821521846 587125174 /nfs/dbraw/zinc/12/51/74/587125174.db2.gz OYXUVKDTOOHSDB-UHFFFAOYSA-N -1 3 242.706 2.080 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)c(NCCC(C)C)n1 ZINC000822215290 587158569 /nfs/dbraw/zinc/15/85/69/587158569.db2.gz UVKMMJINOLZGGF-UHFFFAOYSA-N -1 3 246.318 2.028 20 0 BEADHM Cc1ccc(-c2nn[n-]n2)c(NCCC(C)C)n1 ZINC000822215290 587158570 /nfs/dbraw/zinc/15/85/70/587158570.db2.gz UVKMMJINOLZGGF-UHFFFAOYSA-N -1 3 246.318 2.028 20 0 BEADHM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]C1=NCCS1 ZINC000822234478 587159043 /nfs/dbraw/zinc/15/90/43/587159043.db2.gz VSVBKUDAUSDUMV-LDYMZIIASA-N -1 3 226.345 2.032 20 0 BEADHM O=C([N-]C1=NCCS1)[C@@H]1CCCCC1(F)F ZINC000822234426 587159093 /nfs/dbraw/zinc/15/90/93/587159093.db2.gz SKNHZUBLUGRAEU-ZETCQYMHSA-N -1 3 248.298 2.031 20 0 BEADHM CC[C@@H]1CCC[C@@H]1C(=O)[N-]C1=NCCS1 ZINC000822234390 587159158 /nfs/dbraw/zinc/15/91/58/587159158.db2.gz RNZOIPGZCGQFJB-BDAKNGLRSA-N -1 3 226.345 2.032 20 0 BEADHM C[C@@H]1CC[C@H](C(=O)[N-]C2=NCCS2)C[C@@H]1C ZINC000822234316 587159298 /nfs/dbraw/zinc/15/92/98/587159298.db2.gz OEEMYTHXEIRDQH-UTLUCORTSA-N -1 3 240.372 2.278 20 0 BEADHM Fc1cc(OCC2CCC2)ccc1-c1nnn[n-]1 ZINC000822754294 587183962 /nfs/dbraw/zinc/18/39/62/587183962.db2.gz YLFKLNWCUUOAMK-UHFFFAOYSA-N -1 3 248.261 2.185 20 0 BEADHM Fc1cc(OCC2CCC2)ccc1-c1nn[n-]n1 ZINC000822754294 587183963 /nfs/dbraw/zinc/18/39/63/587183963.db2.gz YLFKLNWCUUOAMK-UHFFFAOYSA-N -1 3 248.261 2.185 20 0 BEADHM Fc1cccc(NCCC2CC2)c1-c1nnn[n-]1 ZINC000822791009 587186051 /nfs/dbraw/zinc/18/60/51/587186051.db2.gz DARDZCCOAVPSKN-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM Fc1cccc(NCCC2CC2)c1-c1nn[n-]n1 ZINC000822791009 587186053 /nfs/dbraw/zinc/18/60/53/587186053.db2.gz DARDZCCOAVPSKN-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM CC[C@@H]1CCC[C@@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000822925070 587193581 /nfs/dbraw/zinc/19/35/81/587193581.db2.gz WSEYUKQPZONDHU-GRYCIOLGSA-N -1 3 241.331 2.387 20 0 BEADHM CCCOC(=O)c1c(Cl)[n-]nc1CC ZINC000860224393 589090444 /nfs/dbraw/zinc/09/04/44/589090444.db2.gz MFYREMBNIXAMRW-UHFFFAOYSA-N -1 3 216.668 2.192 20 0 BEADHM CCCOC(=O)c1c(Cl)n[n-]c1CC ZINC000860224393 589090445 /nfs/dbraw/zinc/09/04/45/589090445.db2.gz MFYREMBNIXAMRW-UHFFFAOYSA-N -1 3 216.668 2.192 20 0 BEADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC000824648670 587280760 /nfs/dbraw/zinc/28/07/60/587280760.db2.gz IEZXIXXTUYSCCS-SECBINFHSA-N -1 3 243.314 2.467 20 0 BEADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000824648670 587280761 /nfs/dbraw/zinc/28/07/61/587280761.db2.gz IEZXIXXTUYSCCS-SECBINFHSA-N -1 3 243.314 2.467 20 0 BEADHM CCC(CC)Nc1nc(-c2nnn[n-]2)ccc1C ZINC000825106857 587304945 /nfs/dbraw/zinc/30/49/45/587304945.db2.gz KCFPEVQZDGJGHA-UHFFFAOYSA-N -1 3 246.318 2.171 20 0 BEADHM CC(C)CO[N-]C(=O)C[C@@H](C)c1ccco1 ZINC000860346077 589095328 /nfs/dbraw/zinc/09/53/28/589095328.db2.gz STQVXDPICUDJMP-SNVBAGLBSA-N -1 3 225.288 2.477 20 0 BEADHM C[C@@H](NCCN(C(=O)[O-])C1CC1)c1ccoc1 ZINC000825497162 587321994 /nfs/dbraw/zinc/32/19/94/587321994.db2.gz YZZDCHDPVBXVAP-SECBINFHSA-N -1 3 238.287 2.073 20 0 BEADHM C[C@@H](c1cccs1)N(C)CCNC(=O)[O-] ZINC000825646045 587329141 /nfs/dbraw/zinc/32/91/41/587329141.db2.gz XZANFAKUGVCACH-QMMMGPOBSA-N -1 3 228.317 2.009 20 0 BEADHM CCSCCNc1ccc(-c2nnn[n-]2)cc1 ZINC000825674324 587330844 /nfs/dbraw/zinc/33/08/44/587330844.db2.gz IOYICRADUSKKPT-UHFFFAOYSA-N -1 3 249.343 2.032 20 0 BEADHM 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CCCO[N-]C(=O)Cc1cccc(Cl)c1F ZINC000844088748 588165767 /nfs/dbraw/zinc/16/57/67/588165767.db2.gz USUQEDOEJCNULD-UHFFFAOYSA-N -1 3 245.681 2.479 20 0 BEADHM CCCO[N-]C(=O)Cc1ccc2c(c1)CCCO2 ZINC000844088427 588165850 /nfs/dbraw/zinc/16/58/50/588165850.db2.gz CIKMHBCIXRBRAM-UHFFFAOYSA-N -1 3 249.310 2.012 20 0 BEADHM O=C([N-]C1=NCCS1)[C@H]1C[C@H]1C1CCCC1 ZINC000844317333 588184595 /nfs/dbraw/zinc/18/45/95/588184595.db2.gz QPZYBXLBUNGFTF-UWVGGRQHSA-N -1 3 238.356 2.032 20 0 BEADHM CC[C@@H](OCCO[N-]C(C)=O)c1ccccc1 ZINC000844763474 588216448 /nfs/dbraw/zinc/21/64/48/588216448.db2.gz MWKWYDZUQMBXCQ-CYBMUJFWSA-N -1 3 237.299 2.222 20 0 BEADHM CC[C@H](C(=O)[O-])N(C)Cc1ccnc(Cl)c1 ZINC000844839690 588218342 /nfs/dbraw/zinc/21/83/42/588218342.db2.gz RVWMDCWPHNAIHD-SECBINFHSA-N -1 3 242.706 2.030 20 0 BEADHM COC/C(C)=C\C(=O)Nc1ccc(C)cc1[O-] ZINC000845079849 588221291 /nfs/dbraw/zinc/22/12/91/588221291.db2.gz KSSQZPSRSFHCGW-YFHOEESVSA-N -1 3 235.283 2.232 20 0 BEADHM CCCC(C)(C)C(=O)[N-]O[C@H]1CCCCO1 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[O-]c1ccc(F)c(CN2C[C@@H]3C[C@@H]3C2)c1F ZINC000862443271 589213996 /nfs/dbraw/zinc/21/39/96/589213996.db2.gz NLBWPLNMUGNHMI-OCAPTIKFSA-N -1 3 225.238 2.122 20 0 BEADHM O=C(Cc1ccoc1)[N-]OCc1ccccc1 ZINC000119175763 589247037 /nfs/dbraw/zinc/24/70/37/589247037.db2.gz HYTSWGBJRXHFOP-UHFFFAOYSA-N -1 3 231.251 2.070 20 0 BEADHM CC(C)(C)C(=O)[N-]OCc1ncccc1Cl ZINC000863456837 589289470 /nfs/dbraw/zinc/28/94/70/589289470.db2.gz LESJRZHEBDBUGT-UHFFFAOYSA-N -1 3 242.706 2.329 20 0 BEADHM Cc1ccc(CC(=O)[N-]OC[C@@H]2C[C@H]2C)cc1 ZINC000863456308 589289622 /nfs/dbraw/zinc/28/96/22/589289622.db2.gz OGHLGXYRPYMERI-YPMHNXCESA-N -1 3 233.311 2.241 20 0 BEADHM C/C(=C/CN1C[C@H](C)C(F)(F)[C@@H](C)C1)C(=O)[O-] ZINC000863471601 589291080 /nfs/dbraw/zinc/29/10/80/589291080.db2.gz WHIPVEMVHDUPAK-BBYBGLFNSA-N -1 3 247.285 2.240 20 0 BEADHM CCO[C@@H](CO[N-]C(=O)CC(C)(C)C)C1CC1 ZINC000863474489 589291511 /nfs/dbraw/zinc/29/15/11/589291511.db2.gz HUKXQXJIQOLWRI-NSHDSACASA-N -1 3 243.347 2.286 20 0 BEADHM O=C([O-])[C@@H]1CCN(C/C=C\Cl)[C@@H]2CCC[C@H]21 ZINC000863476026 589291715 /nfs/dbraw/zinc/29/17/15/589291715.db2.gz SRTKDCHBOZMUDL-CPCABMKFSA-N -1 3 243.734 2.314 20 0 BEADHM CC[C@@H](C)NC(=O)c1c(Cl)n[n-]c1C1CC1 ZINC000864385945 589357390 /nfs/dbraw/zinc/35/73/90/589357390.db2.gz XDVAOFOQOFPEBN-ZCFIWIBFSA-N -1 3 241.722 2.469 20 0 BEADHM CO[N-]C(=O)[C@H](C)CCc1ccc(F)cc1 ZINC000864749863 589392848 /nfs/dbraw/zinc/39/28/48/589392848.db2.gz ZBRKSYIUPRRXBE-SECBINFHSA-N -1 3 225.263 2.072 20 0 BEADHM CCn1c(=O)[n-]nc1SCCCC1CC1 ZINC000865346153 589422988 /nfs/dbraw/zinc/42/29/88/589422988.db2.gz JPRXEKXQQXPHFF-UHFFFAOYSA-N -1 3 227.333 2.286 20 0 BEADHM O=Cc1c[nH]nc1C=Cc1ccc([O-])c(F)c1 ZINC000121107817 589499192 /nfs/dbraw/zinc/49/91/92/589499192.db2.gz LUENJWAIOAARHT-HNQUOIGGSA-N -1 3 232.214 2.237 20 0 BEADHM CC/C=C(\F)C(=O)NCc1ccc([O-])c(F)c1 ZINC000866769756 589518510 /nfs/dbraw/zinc/51/85/10/589518510.db2.gz QHFULBHNKYDOBC-OQFOIZHKSA-N -1 3 241.237 2.411 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)n1 ZINC000867897982 589538847 /nfs/dbraw/zinc/53/88/47/589538847.db2.gz AYFNNWXLKCHCSU-APHKKCJPSA-N -1 3 246.310 2.326 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)n1 ZINC000867897985 589539133 /nfs/dbraw/zinc/53/91/33/589539133.db2.gz AYFNNWXLKCHCSU-QCNRFFRDSA-N -1 3 246.310 2.326 20 0 BEADHM O=C([N-][C@H]1CCCC12CC2)C(F)(F)C(F)F ZINC000869748244 589626563 /nfs/dbraw/zinc/62/65/63/589626563.db2.gz DUBHIVWFBCXCEH-LURJTMIESA-N -1 3 239.212 2.336 20 0 BEADHM O=C(OCCF)c1c(Cl)[n-]nc1C1CC1 ZINC000869904732 589636897 /nfs/dbraw/zinc/63/68/97/589636897.db2.gz AYQMXYFORCBPTA-UHFFFAOYSA-N -1 3 232.642 2.067 20 0 BEADHM O=C(OCCF)c1c(Cl)n[n-]c1C1CC1 ZINC000869904732 589636898 /nfs/dbraw/zinc/63/68/98/589636898.db2.gz AYQMXYFORCBPTA-UHFFFAOYSA-N -1 3 232.642 2.067 20 0 BEADHM O=C([N-]CCC[C@@H]1C=CCC1)C(F)(F)F ZINC000871596769 589771609 /nfs/dbraw/zinc/77/16/09/589771609.db2.gz DADDOBOSLYIOBV-MRVPVSSYSA-N -1 3 221.222 2.411 20 0 BEADHM O=C([O-])[C@H](CC1CC1)NCc1ccc(Cl)o1 ZINC000871882464 589827572 /nfs/dbraw/zinc/82/75/72/589827572.db2.gz JSIBLNZEGHEAQX-VIFPVBQESA-N -1 3 243.690 2.276 20 0 BEADHM Cc1[n-]n([C@@H](C)c2ccccc2)c(=O)c1F ZINC000871949318 589839166 /nfs/dbraw/zinc/83/91/66/589839166.db2.gz WMCQQHGYYZTZCZ-ONGXEEELSA-N -1 3 220.247 2.304 20 0 BEADHM Cc1[n-]n([C@@H]2CCC[C@H](C)C2)c(=O)c1F ZINC000871948985 589839734 /nfs/dbraw/zinc/83/97/34/589839734.db2.gz KLODBVSFKMSSBU-FXBDTBDDSA-N -1 3 212.268 2.121 20 0 BEADHM Cc1[n-]n([C@@H]2CCCC2(C)C)c(=O)c1F ZINC000871959528 589845247 /nfs/dbraw/zinc/84/52/47/589845247.db2.gz NHRMITFOSQJBSX-RKDXNWHRSA-N -1 3 212.268 2.121 20 0 BEADHM Cc1[n-]n(CC2(C)CCCC2)c(=O)c1F ZINC000871962090 589846338 /nfs/dbraw/zinc/84/63/38/589846338.db2.gz XAVGVUOXRGYZEW-SECBINFHSA-N -1 3 212.268 2.123 20 0 BEADHM COC[C@@H](C)N[C@@H](C)c1cccc([O-])c1F ZINC000872016276 589856055 /nfs/dbraw/zinc/85/60/55/589856055.db2.gz HHPDZOYZSWANSW-BDAKNGLRSA-N -1 3 227.279 2.217 20 0 BEADHM COC[C@H](C)N[C@H](C)c1cccc([O-])c1F ZINC000872016277 589856376 /nfs/dbraw/zinc/85/63/76/589856376.db2.gz HHPDZOYZSWANSW-DTWKUNHWSA-N -1 3 227.279 2.217 20 0 BEADHM C[C@H](NC[C@@H]1CCCO1)c1cccc([O-])c1F ZINC000872017331 589856873 /nfs/dbraw/zinc/85/68/73/589856873.db2.gz ZGUQUVSLQVITNZ-UWVGGRQHSA-N -1 3 239.290 2.361 20 0 BEADHM CCOCCN[C@H](C)c1cccc([O-])c1F ZINC000872025375 589857075 /nfs/dbraw/zinc/85/70/75/589857075.db2.gz LTXKKPRZMJBMFW-SECBINFHSA-N -1 3 227.279 2.218 20 0 BEADHM C[C@H](NCCn1cccn1)c1cccc([O-])c1F ZINC000872045766 589860008 /nfs/dbraw/zinc/86/00/08/589860008.db2.gz BFFARCFTGVQIOU-JTQLQIEISA-N -1 3 249.289 2.079 20 0 BEADHM Cc1n[nH]cc1CN[C@H](C)c1cccc([O-])c1F ZINC000872047751 589860874 /nfs/dbraw/zinc/86/08/74/589860874.db2.gz GEJGWNMZJOYPCD-SECBINFHSA-N -1 3 249.289 2.414 20 0 BEADHM C[C@H](NCc1cncn1C)c1cccc([O-])c1F ZINC000872072387 589863936 /nfs/dbraw/zinc/86/39/36/589863936.db2.gz FFXLPYWEKBHFLD-VIFPVBQESA-N -1 3 249.289 2.116 20 0 BEADHM O=C([O-])[C@H]1c2ccoc2CCN1CCCC1CC1 ZINC000872160224 589886107 /nfs/dbraw/zinc/88/61/07/589886107.db2.gz AXJRDQKFQLVFNY-CYBMUJFWSA-N -1 3 249.310 2.454 20 0 BEADHM CCCCN(C)c1cc(Cl)n[n-]c1=O ZINC000872387331 589930631 /nfs/dbraw/zinc/93/06/31/589930631.db2.gz QFIVSLGMPSGQQV-UHFFFAOYSA-N -1 3 215.684 2.072 20 0 BEADHM O=c1[n-]nc(Cl)cc1NCC1CCCC1 ZINC000872407952 589936323 /nfs/dbraw/zinc/93/63/23/589936323.db2.gz IKAGWDGADXBJRR-UHFFFAOYSA-N -1 3 227.695 2.438 20 0 BEADHM C[C@H]1CCCN(c2cc(Cl)n[n-]c2=O)CC1 ZINC000872430578 589939105 /nfs/dbraw/zinc/93/91/05/589939105.db2.gz WKUJBIFRLQYZRZ-QMMMGPOBSA-N -1 3 241.722 2.462 20 0 BEADHM CN(CC(C)(C)C)c1cc(Cl)n[n-]c1=O ZINC000872440611 589939861 /nfs/dbraw/zinc/93/98/61/589939861.db2.gz SEOKHPCDKGCUJJ-UHFFFAOYSA-N -1 3 229.711 2.318 20 0 BEADHM O=c1[n-]nc(Cl)cc1NCCC1CC1 ZINC000872468661 589942786 /nfs/dbraw/zinc/94/27/86/589942786.db2.gz WRDJXWGKZHLJAV-UHFFFAOYSA-N -1 3 213.668 2.048 20 0 BEADHM O=c1[n-]nc(Cl)cc1N[C@H]1CCC(F)(F)C1 ZINC000872484138 589943996 /nfs/dbraw/zinc/94/39/96/589943996.db2.gz QHTNSXDQSHEPOS-YFKPBYRVSA-N -1 3 249.648 2.435 20 0 BEADHM C[C@H]1OCC[C@@H]1Sc1cc(Cl)n[n-]c1=O ZINC000872492113 589944539 /nfs/dbraw/zinc/94/45/39/589944539.db2.gz CAODSQPFZNOWON-RITPCOANSA-N -1 3 246.719 2.105 20 0 BEADHM O=c1[n-]nc(Cl)cc1S[C@H]1CCCOC1 ZINC000872504642 589945251 /nfs/dbraw/zinc/94/52/51/589945251.db2.gz PIFNIFNPOKSEIW-LURJTMIESA-N -1 3 246.719 2.107 20 0 BEADHM C[C@H]1CCCCN(c2cc(Cl)n[n-]c2=O)C1 ZINC000872513156 589945903 /nfs/dbraw/zinc/94/59/03/589945903.db2.gz KCZBOAWISUJRHH-QMMMGPOBSA-N -1 3 241.722 2.462 20 0 BEADHM CSCCCN(C)c1cc(Cl)n[n-]c1=O ZINC000872530749 589947474 /nfs/dbraw/zinc/94/74/74/589947474.db2.gz WDNQFSKCXPAABH-UHFFFAOYSA-N -1 3 247.751 2.025 20 0 BEADHM CCSCCCNc1cc(Cl)n[n-]c1=O ZINC000872535640 589947501 /nfs/dbraw/zinc/94/75/01/589947501.db2.gz SBZJAACKCFSEII-UHFFFAOYSA-N -1 3 247.751 2.391 20 0 BEADHM C[C@@H]1CC[C@@H]1Nc1cc(Cl)n[n-]c1=O ZINC000872546835 589949333 /nfs/dbraw/zinc/94/93/33/589949333.db2.gz FFZISMNABOVPMI-RITPCOANSA-N -1 3 213.668 2.046 20 0 BEADHM CC[C@](C)(CNc1cc(Cl)n[n-]c1=O)OC ZINC000872562611 589951036 /nfs/dbraw/zinc/95/10/36/589951036.db2.gz WIWDXHVTJOPPEL-SNVBAGLBSA-N -1 3 245.710 2.063 20 0 BEADHM CN(c1cc(Cl)n[n-]c1=O)C1CC(C)(C)C1 ZINC000872570446 589952902 /nfs/dbraw/zinc/95/29/02/589952902.db2.gz XXIYTPOQEVBLQQ-UHFFFAOYSA-N -1 3 241.722 2.460 20 0 BEADHM C[C@@H]1SCC[C@H]1Nc1cc(Cl)n[n-]c1=O ZINC000872583244 589954249 /nfs/dbraw/zinc/95/42/49/589954249.db2.gz ULFRUOHOFZIBIF-NTSWFWBYSA-N -1 3 245.735 2.142 20 0 BEADHM O=c1[n-]nc(Cl)cc1N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000872581751 589954401 /nfs/dbraw/zinc/95/44/01/589954401.db2.gz DXSHPYCETQJUGC-BIIVOSGPSA-N -1 3 239.706 2.436 20 0 BEADHM O=c1[n-]nc(Cl)cc1NCC1CC=CC1 ZINC000872614073 589956486 /nfs/dbraw/zinc/95/64/86/589956486.db2.gz FDQWMUCFMHNATK-UHFFFAOYSA-N -1 3 225.679 2.214 20 0 BEADHM O=C([O-])[C@H]1C[C@@H](NCc2sccc2Cl)C1 ZINC000874045989 590086792 /nfs/dbraw/zinc/08/67/92/590086792.db2.gz KOOXOWIUKNQHEV-KNVOCYPGSA-N -1 3 245.731 2.354 20 0 BEADHM CCC[C@@H](CC)C(=O)Nc1nnc(SC)[n-]1 ZINC000874254445 590099948 /nfs/dbraw/zinc/09/99/48/590099948.db2.gz TYFFFJCVUIKLLU-SSDOTTSWSA-N -1 3 242.348 2.291 20 0 BEADHM CCC[C@@H](CC)C(=O)Nc1nc(SC)n[n-]1 ZINC000874254445 590099950 /nfs/dbraw/zinc/09/99/50/590099950.db2.gz TYFFFJCVUIKLLU-SSDOTTSWSA-N -1 3 242.348 2.291 20 0 BEADHM CCC[C@@H](CC)C(=O)Nc1n[n-]c(SC)n1 ZINC000874254445 590099953 /nfs/dbraw/zinc/09/99/53/590099953.db2.gz TYFFFJCVUIKLLU-SSDOTTSWSA-N -1 3 242.348 2.291 20 0 BEADHM O=C([N-]O[C@@H]1CCCCO1)C1CCC=CCC1 ZINC000874262315 590100886 /nfs/dbraw/zinc/10/08/86/590100886.db2.gz PJGQPYYZMJJDJG-GFCCVEGCSA-N -1 3 239.315 2.307 20 0 BEADHM O=C(CCC(F)F)[N-]Oc1ccccc1F ZINC000874909763 590154769 /nfs/dbraw/zinc/15/47/69/590154769.db2.gz HYUXFANFXDOYIM-UHFFFAOYSA-N -1 3 233.189 2.281 20 0 BEADHM CCO[N-]C(=O)CC(C)(C)CC(F)(F)F ZINC000878008815 590471412 /nfs/dbraw/zinc/47/14/12/590471412.db2.gz OLFLQBSLYWFFKD-UHFFFAOYSA-N -1 3 227.226 2.423 20 0 BEADHM CCON=C([O-])Nc1ccc(C(F)(F)F)cn1 ZINC000879157285 590706175 /nfs/dbraw/zinc/70/61/75/590706175.db2.gz IEMSPCCSAITGOK-UHFFFAOYSA-N -1 3 249.192 2.173 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000879157285 590706177 /nfs/dbraw/zinc/70/61/77/590706177.db2.gz IEMSPCCSAITGOK-UHFFFAOYSA-N -1 3 249.192 2.173 20 0 BEADHM CC[C@@H]1CCC[C@@]1(C)C(=O)[N-]OCCCOC ZINC000879975750 590901919 /nfs/dbraw/zinc/90/19/19/590901919.db2.gz JCTSBYKAJIXLII-DGCLKSJQSA-N -1 3 243.347 2.287 20 0 BEADHM CC1(C)CO[C@H](CCC(=O)[N-]OCC2CC2)C1 ZINC000880111118 590927613 /nfs/dbraw/zinc/92/76/13/590927613.db2.gz QTEFUQZQTINZMB-LLVKDONJSA-N -1 3 241.331 2.040 20 0 BEADHM CC[C@@H]1CCC[C@@]1(C)C(=O)[N-]OC(C)(C)CO ZINC000880264805 590980252 /nfs/dbraw/zinc/98/02/52/590980252.db2.gz JLRYOIVPNJSOBX-ZWNOBZJWSA-N -1 3 243.347 2.022 20 0 BEADHM CCCO[N-]C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC000880418537 591027412 /nfs/dbraw/zinc/02/74/12/591027412.db2.gz BXDVGTJINCWKNE-JTQLQIEISA-N -1 3 229.320 2.040 20 0 BEADHM CCCON=C([O-])Nc1ccc(CC)cn1 ZINC000881202160 591170462 /nfs/dbraw/zinc/17/04/62/591170462.db2.gz QUPXQLQRYVOQKD-UHFFFAOYSA-N -1 3 223.276 2.107 20 0 BEADHM CCCO[N-]C(=O)Nc1ccc(CC)cn1 ZINC000881202160 591170463 /nfs/dbraw/zinc/17/04/63/591170463.db2.gz QUPXQLQRYVOQKD-UHFFFAOYSA-N -1 3 223.276 2.107 20 0 BEADHM CSCC(=O)NCc1cc([O-])ccc1Cl ZINC000882227294 591317873 /nfs/dbraw/zinc/31/78/73/591317873.db2.gz CBRBMCDVIRPBLH-UHFFFAOYSA-N -1 3 245.731 2.025 20 0 BEADHM C[C@@H]1C[C@@H]1C(=O)NCc1cc([O-])ccc1Cl ZINC000882227476 591318067 /nfs/dbraw/zinc/31/80/67/591318067.db2.gz JKERDPRFESEXNJ-XCBNKYQSSA-N -1 3 239.702 2.318 20 0 BEADHM Cc1cc(C)c(Cn2c([O-])coc2=O)c(C)c1 ZINC000882275174 591323779 /nfs/dbraw/zinc/32/37/79/591323779.db2.gz OUTMWPANVOTLNP-UHFFFAOYSA-N -1 3 233.267 2.091 20 0 BEADHM O=c1[n-]nc(Cl)cc1N1CCC[C@@H](CF)C1 ZINC000882803953 591445312 /nfs/dbraw/zinc/44/53/12/591445312.db2.gz LOMDJHHDBLYYKB-ZETCQYMHSA-N -1 3 245.685 2.022 20 0 BEADHM CCOC([O-])=NOC[C@H]1CC(C)(C)OC1(C)C ZINC000882995380 591499464 /nfs/dbraw/zinc/49/94/64/591499464.db2.gz VHEORLZZBXZRIM-SECBINFHSA-N -1 3 245.319 2.258 20 0 BEADHM CCOC(=O)[N-]OC[C@H]1CC(C)(C)OC1(C)C ZINC000882995380 591499467 /nfs/dbraw/zinc/49/94/67/591499467.db2.gz VHEORLZZBXZRIM-SECBINFHSA-N -1 3 245.319 2.258 20 0 BEADHM C/C(=C\CN(C)Cc1ccccc1C)C(=O)[O-] ZINC000214654523 591702359 /nfs/dbraw/zinc/70/23/59/591702359.db2.gz MQOWWUXWCQGIDT-XYOKQWHBSA-N -1 3 233.311 2.458 20 0 BEADHM CCc1ccc(CC(=O)[N-]C2=NCCS2)cc1 ZINC000133415421 591789518 /nfs/dbraw/zinc/78/95/18/591789518.db2.gz KIOPQYIMCCIGMD-UHFFFAOYSA-N -1 3 248.351 2.011 20 0 BEADHM CCC(CC)OC(=O)c1cccc2nn[n-]c21 ZINC000800209507 591839427 /nfs/dbraw/zinc/83/94/27/591839427.db2.gz YQLOOAOVEKUVAU-UHFFFAOYSA-N -1 3 233.271 2.303 20 0 BEADHM CCC(CC)OC(=O)c1cccc2[n-]nnc21 ZINC000800209507 591839430 /nfs/dbraw/zinc/83/94/30/591839430.db2.gz YQLOOAOVEKUVAU-UHFFFAOYSA-N -1 3 233.271 2.303 20 0 BEADHM CCC(CC)OC(=O)c1cccc2n[n-]nc21 ZINC000800209507 591839432 /nfs/dbraw/zinc/83/94/32/591839432.db2.gz YQLOOAOVEKUVAU-UHFFFAOYSA-N -1 3 233.271 2.303 20 0 BEADHM O=C(O[C@H]1C=CCCC1)c1cccc2nn[n-]c21 ZINC000800208534 591839438 /nfs/dbraw/zinc/83/94/38/591839438.db2.gz KFLMYIUQJNXKGH-VIFPVBQESA-N -1 3 243.266 2.223 20 0 BEADHM O=C(O[C@H]1C=CCCC1)c1cccc2[n-]nnc21 ZINC000800208534 591839441 /nfs/dbraw/zinc/83/94/41/591839441.db2.gz KFLMYIUQJNXKGH-VIFPVBQESA-N -1 3 243.266 2.223 20 0 BEADHM O=C(O[C@H]1C=CCCC1)c1cccc2n[n-]nc21 ZINC000800208534 591839444 /nfs/dbraw/zinc/83/94/44/591839444.db2.gz KFLMYIUQJNXKGH-VIFPVBQESA-N -1 3 243.266 2.223 20 0 BEADHM O=C(OCC1CCCC1)c1cccc2nn[n-]c21 ZINC000800206691 591839994 /nfs/dbraw/zinc/83/99/94/591839994.db2.gz JLHMHYYITLTIHV-UHFFFAOYSA-N -1 3 245.282 2.305 20 0 BEADHM O=C(OCC1CCCC1)c1cccc2[n-]nnc21 ZINC000800206691 591839998 /nfs/dbraw/zinc/83/99/98/591839998.db2.gz JLHMHYYITLTIHV-UHFFFAOYSA-N -1 3 245.282 2.305 20 0 BEADHM O=C(OCC1CCCC1)c1cccc2n[n-]nc21 ZINC000800206691 591840004 /nfs/dbraw/zinc/84/00/04/591840004.db2.gz JLHMHYYITLTIHV-UHFFFAOYSA-N -1 3 245.282 2.305 20 0 BEADHM Cc1cc(NC2CCN(C)CC2)ccc1C(=O)[O-] ZINC000135074747 591981859 /nfs/dbraw/zinc/98/18/59/591981859.db2.gz BOSWNHUYRRQHKR-UHFFFAOYSA-N -1 3 248.326 2.199 20 0 BEADHM O=C(CCc1cccnc1)[N-]OC1CCCC1 ZINC000135146026 591992742 /nfs/dbraw/zinc/99/27/42/591992742.db2.gz SWDZOSGPKWVGOT-UHFFFAOYSA-N -1 3 234.299 2.005 20 0 BEADHM Cc1cccc(CC(=O)[N-]OCC(F)(F)F)c1 ZINC000135223981 591998087 /nfs/dbraw/zinc/99/80/87/591998087.db2.gz NYISGEGIFDNLRT-UHFFFAOYSA-N -1 3 247.216 2.148 20 0 BEADHM COc1ccc(NC(=O)C2=COCCC2)c([O-])c1 ZINC000135407722 592012141 /nfs/dbraw/zinc/01/21/41/592012141.db2.gz OQXFFPVJISSDJC-UHFFFAOYSA-N -1 3 249.266 2.034 20 0 BEADHM CC(F)(F)C(=O)[N-][C@@H]1CCCc2cccnc21 ZINC000885361687 592073258 /nfs/dbraw/zinc/07/32/58/592073258.db2.gz NCAQCXUKZCULOC-SECBINFHSA-N -1 3 240.253 2.230 20 0 BEADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCc1cncc([O-])c1 ZINC000886273295 592194149 /nfs/dbraw/zinc/19/41/49/592194149.db2.gz TVAAQJYNCVWAOK-VXGBXAGGSA-N -1 3 248.326 2.086 20 0 BEADHM CC[C@@H]1CCC[C@@H]1C(=O)NCc1cncc([O-])c1 ZINC000886274940 592194638 /nfs/dbraw/zinc/19/46/38/592194638.db2.gz HYNMRVKTXZTPKY-YPMHNXCESA-N -1 3 248.326 2.230 20 0 BEADHM CC(C)CCCC(=O)NCc1cncc([O-])c1 ZINC000886274863 592194672 /nfs/dbraw/zinc/19/46/72/592194672.db2.gz FRHCQOBEUWMWHC-UHFFFAOYSA-N -1 3 236.315 2.230 20 0 BEADHM CC[C@H](C)CCC(=O)NCc1cncc([O-])c1 ZINC000886274894 592194874 /nfs/dbraw/zinc/19/48/74/592194874.db2.gz GXPYKTYACCBXBS-JTQLQIEISA-N -1 3 236.315 2.230 20 0 BEADHM C[C@]1(C(=O)NCc2cncc([O-])c2)CC=CCC1 ZINC000886275118 592194895 /nfs/dbraw/zinc/19/48/95/592194895.db2.gz OMGUIGOHYKGPJF-AWEZNQCLSA-N -1 3 246.310 2.150 20 0 BEADHM C[C@H]1CCC[C@]1(C)C(=O)NCc1cncc([O-])c1 ZINC000886274810 592194913 /nfs/dbraw/zinc/19/49/13/592194913.db2.gz CDGDUJHOEPSKJU-HZMBPMFUSA-N -1 3 248.326 2.230 20 0 BEADHM CC(C)C[C@@H]1C[C@H]1C(=O)NCc1cncc([O-])c1 ZINC000886275193 592194956 /nfs/dbraw/zinc/19/49/56/592194956.db2.gz QSPIQKHBTWDYRX-DGCLKSJQSA-N -1 3 248.326 2.086 20 0 BEADHM CC1(C)C(C(=O)NCc2cncc([O-])c2)C1(C)C ZINC000886277935 592196470 /nfs/dbraw/zinc/19/64/70/592196470.db2.gz HXUHLSVRGPNTIA-UHFFFAOYSA-N -1 3 248.326 2.086 20 0 BEADHM C[C@@H]1CCC[C@H](C(=O)NCc2cncc([O-])c2)C1 ZINC000886279993 592198126 /nfs/dbraw/zinc/19/81/26/592198126.db2.gz QMHHMJFWEZNIJX-PWSUYJOCSA-N -1 3 248.326 2.230 20 0 BEADHM CCc1cc(=O)[n-]c(CNC2(C3CC3)CCC2)n1 ZINC000887147459 592461104 /nfs/dbraw/zinc/46/11/04/592461104.db2.gz NZCPFHAHHAWYMX-UHFFFAOYSA-N -1 3 247.342 2.167 20 0 BEADHM CC(C)(CNC(=O)c1csc(=O)[n-]1)C1CC1 ZINC000887375338 592497313 /nfs/dbraw/zinc/49/73/13/592497313.db2.gz NKZKLIHAEOPNIK-UHFFFAOYSA-N -1 3 240.328 2.015 20 0 BEADHM O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1cccc([O-])c1 ZINC000889579437 592621784 /nfs/dbraw/zinc/62/17/84/592621784.db2.gz YOGIBJDNIZHFAU-TVYUQYBPSA-N -1 3 231.295 2.311 20 0 BEADHM O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1ccccc1[O-] ZINC000889587075 592622373 /nfs/dbraw/zinc/62/23/73/592622373.db2.gz KEOUCPPDHUVGFB-HOSYDEDBSA-N -1 3 231.295 2.311 20 0 BEADHM O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1ccc(O)cc1[O-] ZINC000889600038 592625961 /nfs/dbraw/zinc/62/59/61/592625961.db2.gz OJFQHUNBEVZGKC-HLUHBDAQSA-N -1 3 247.294 2.016 20 0 BEADHM O=C([O-])NC[C@@H](c1cccs1)N1CCCC1 ZINC000740610828 602664362 /nfs/dbraw/zinc/66/43/62/602664362.db2.gz CBPOWGIMOFSLPE-VIFPVBQESA-N -1 3 240.328 2.153 20 0 BEADHM C[C@H](CC(=O)[O-])N[C@H](C)c1c(F)cccc1F ZINC000738892468 597008278 /nfs/dbraw/zinc/00/82/78/597008278.db2.gz VAMGSHBFRKWNJS-HTQZYQBOSA-N -1 3 243.253 2.479 20 0 BEADHM C[C@@H](CC(=O)[O-])N[C@@H](C)c1c(F)cccc1F ZINC000738892471 597008610 /nfs/dbraw/zinc/00/86/10/597008610.db2.gz VAMGSHBFRKWNJS-YUMQZZPRSA-N -1 3 243.253 2.479 20 0 BEADHM Cc1nc([C@@H](C)NCCCC(=O)[O-])c(C)s1 ZINC000037417288 597371185 /nfs/dbraw/zinc/37/11/85/597371185.db2.gz FBNFPZSCZWSQMP-SSDOTTSWSA-N -1 3 242.344 2.275 20 0 BEADHM C[C@H](C(=O)[O-])N(C)Cc1cccc(F)c1Cl ZINC000167114028 598161787 /nfs/dbraw/zinc/16/17/87/598161787.db2.gz BHSYPJUXJURSRR-SSDOTTSWSA-N -1 3 245.681 2.384 20 0 BEADHM C[C@@H](NCCCCC(=O)[O-])c1nccs1 ZINC000235203151 598171185 /nfs/dbraw/zinc/17/11/85/598171185.db2.gz NJTHYKAPHKLCPU-MRVPVSSYSA-N -1 3 228.317 2.049 20 0 BEADHM O=C([O-])c1cccc(CNCCC(F)(F)F)c1 ZINC000236472179 598204176 /nfs/dbraw/zinc/20/41/76/598204176.db2.gz QDRMEKXTURNTMR-UHFFFAOYSA-N -1 3 247.216 2.427 20 0 BEADHM Fc1cc(-c2nn[n-]n2)ccc1NCC1CCC1 ZINC000095219079 598237630 /nfs/dbraw/zinc/23/76/30/598237630.db2.gz NIMDHVYAQIFBGI-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM Clc1ccc(N2CCCC2)c(-c2nnn[n-]2)c1 ZINC000095153294 598506294 /nfs/dbraw/zinc/50/62/94/598506294.db2.gz OASCKLICLCUVSN-UHFFFAOYSA-N -1 3 249.705 2.120 20 0 BEADHM Clc1ccc(N2CCCC2)c(-c2nn[n-]n2)c1 ZINC000095153294 598506296 /nfs/dbraw/zinc/50/62/96/598506296.db2.gz OASCKLICLCUVSN-UHFFFAOYSA-N -1 3 249.705 2.120 20 0 BEADHM CC(C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000735706874 598590123 /nfs/dbraw/zinc/59/01/23/598590123.db2.gz FETXZNSIXLVKJW-MRVPVSSYSA-N -1 3 249.293 2.462 20 0 BEADHM Clc1ccc(NC2CC2)c(-c2nnn[n-]2)c1 ZINC000095141594 598791123 /nfs/dbraw/zinc/79/11/23/598791123.db2.gz RGXKNRYKQKZYOP-UHFFFAOYSA-N -1 3 235.678 2.094 20 0 BEADHM Clc1ccc(NC2CC2)c(-c2nn[n-]n2)c1 ZINC000095141594 598791124 /nfs/dbraw/zinc/79/11/24/598791124.db2.gz RGXKNRYKQKZYOP-UHFFFAOYSA-N -1 3 235.678 2.094 20 0 BEADHM c1cc(-c2nn[n-]n2)ccc1NC1CCCC1 ZINC000738413625 599304551 /nfs/dbraw/zinc/30/45/51/599304551.db2.gz YXCMZHAGKRMYET-UHFFFAOYSA-N -1 3 229.287 2.221 20 0 BEADHM C[C@H](N[C@@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000049353310 600741395 /nfs/dbraw/zinc/74/13/95/600741395.db2.gz OGWIPDBKWCFEEM-BQBZGAKWSA-N -1 3 229.226 2.089 20 0 BEADHM C/C(=C/CN(C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000088630454 601049377 /nfs/dbraw/zinc/04/93/77/601049377.db2.gz GNNCVDVJMPPFKV-YFHOEESVSA-N -1 3 237.274 2.288 20 0 BEADHM Cc1cc(CN(C)C(C)C)oc1C(=O)[O-] ZINC000036812764 601339338 /nfs/dbraw/zinc/33/93/38/601339338.db2.gz VICQMYKAGROQJY-UHFFFAOYSA-N -1 3 211.261 2.126 20 0 BEADHM CN(C(=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000739585266 601982138 /nfs/dbraw/zinc/98/21/38/601982138.db2.gz OMDYYQPGCYSNFP-ZDUSSCGKSA-N -1 3 248.326 2.261 20 0 BEADHM CCCN(C/C=C\Cl)[C@H]1CCN(C(=O)[O-])C1 ZINC000739358940 602578585 /nfs/dbraw/zinc/57/85/85/602578585.db2.gz SKCCSDIGFHSOEM-ATPLWMGHSA-N -1 3 246.738 2.203 20 0 BEADHM C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)[O-] ZINC000739060229 603081846 /nfs/dbraw/zinc/08/18/46/603081846.db2.gz WMVSQRNSEOMMGF-SECBINFHSA-N -1 3 240.278 2.086 20 0 BEADHM C/C(=C\CN(C)[C@@H](C)c1ccncc1)C(=O)[O-] ZINC000383675180 604718859 /nfs/dbraw/zinc/71/88/59/604718859.db2.gz XFLBXOAOEKXMSF-RUYJGKKWSA-N -1 3 234.299 2.105 20 0 BEADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H]2C[C@@H]21 ZINC000707006244 605054577 /nfs/dbraw/zinc/05/45/77/605054577.db2.gz WDORIHXOVWWKMH-HLTSFMKQSA-N -1 3 221.256 2.133 20 0 BEADHM CCc1ccc(CN2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000739540885 605913319 /nfs/dbraw/zinc/91/33/19/605913319.db2.gz CQNWMWKCRONXNR-ZDUSSCGKSA-N -1 3 248.326 2.091 20 0 BEADHM Cl/C=C\CNc1cccc(-c2nnn[n-]2)c1 ZINC000822562606 607124090 /nfs/dbraw/zinc/12/40/90/607124090.db2.gz CBHLFHZMDVYYID-DJWKRKHSSA-N -1 3 235.678 2.031 20 0 BEADHM Cl/C=C\CNc1cccc(-c2nn[n-]n2)c1 ZINC000822562606 607124091 /nfs/dbraw/zinc/12/40/91/607124091.db2.gz CBHLFHZMDVYYID-DJWKRKHSSA-N -1 3 235.678 2.031 20 0 BEADHM Cl/C=C/CNc1ccc(-c2nn[n-]n2)cc1 ZINC000822563423 607124160 /nfs/dbraw/zinc/12/41/60/607124160.db2.gz IMNOJHCOEMFVMG-LZCJLJQNSA-N -1 3 235.678 2.031 20 0 BEADHM CC(C)COc1ccc(-c2nnn[n-]2)cc1F ZINC000095207381 607137408 /nfs/dbraw/zinc/13/74/08/607137408.db2.gz BZNYTFFJJNVGOL-UHFFFAOYSA-N -1 3 236.250 2.041 20 0 BEADHM CC(C)COc1ccc(-c2nn[n-]n2)cc1F ZINC000095207381 607137409 /nfs/dbraw/zinc/13/74/09/607137409.db2.gz BZNYTFFJJNVGOL-UHFFFAOYSA-N -1 3 236.250 2.041 20 0 BEADHM C=CCOc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000095210879 607848767 /nfs/dbraw/zinc/84/87/67/607848767.db2.gz JMKZLVMXXRPLNM-UHFFFAOYSA-N -1 3 230.271 2.048 20 0 BEADHM CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000095307696 608205161 /nfs/dbraw/zinc/20/51/61/608205161.db2.gz FCMXLKXEJGEJSR-UHFFFAOYSA-N -1 3 226.692 2.242 20 0 BEADHM CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000095307696 608205163 /nfs/dbraw/zinc/20/51/63/608205163.db2.gz FCMXLKXEJGEJSR-UHFFFAOYSA-N -1 3 226.692 2.242 20 0 BEADHM CC1(CNCc2cc(C(=O)[O-])no2)CCCC1 ZINC000232920978 635521948 /nfs/dbraw/zinc/52/19/48/635521948.db2.gz KBPIVMIDQRPCDX-UHFFFAOYSA-N -1 3 238.287 2.043 20 0 BEADHM C[C@@H]1CN(c2cc(=O)[n-]cn2)Cc2ccccc21 ZINC000891518186 631382962 /nfs/dbraw/zinc/38/29/62/631382962.db2.gz GKFOMLRSWYWGAJ-SNVBAGLBSA-N -1 3 241.294 2.306 20 0 BEADHM CSC[C@H](C)NCc1cc(C)c(C(=O)[O-])o1 ZINC000235060493 631912278 /nfs/dbraw/zinc/91/22/78/631912278.db2.gz QVCROYBKPOLGOJ-QMMMGPOBSA-N -1 3 243.328 2.127 20 0 BEADHM Cc1nc(NC(C2CC2)C2CC2)cc(=O)[n-]1 ZINC000165235909 633087621 /nfs/dbraw/zinc/08/76/21/633087621.db2.gz JMSPVHRKQRVBQY-UHFFFAOYSA-N -1 3 219.288 2.091 20 0 BEADHM CC[C@H]1CC[C@@H](C)N1c1cc(=O)[n-]c(C)n1 ZINC000893093062 633828784 /nfs/dbraw/zinc/82/87/84/633828784.db2.gz UBRGDJNZGUGCMX-SCZZXKLOSA-N -1 3 221.304 2.258 20 0 BEADHM C[C@H](NC[C@@H]1C[C@@H]1C)c1ncc(C(=O)[O-])s1 ZINC000314803618 635239824 /nfs/dbraw/zinc/23/98/24/635239824.db2.gz NNSGHBOLNMPVSZ-FXQIFTODSA-N -1 3 240.328 2.148 20 0 BEADHM Cc1ccc([O-])c(CN(C)Cc2ccns2)n1 ZINC000895453844 636144326 /nfs/dbraw/zinc/14/43/26/636144326.db2.gz QLKLFGJYNDUGFV-UHFFFAOYSA-N -1 3 249.339 2.184 20 0 BEADHM COCc1nnc([N-][C@@H](C)c2cccs2)o1 ZINC000901406705 637249777 /nfs/dbraw/zinc/24/97/77/637249777.db2.gz DLYFQIPCYGDADC-ZETCQYMHSA-N -1 3 239.300 2.451 20 0 BEADHM CCO[N-]C(=O)Cc1ccccc1SCC ZINC000905768391 637923611 /nfs/dbraw/zinc/92/36/11/637923611.db2.gz WVDBORPBRAERPN-UHFFFAOYSA-N -1 3 239.340 2.409 20 0 BEADHM CCc1cccc(C(=O)N(CC)CC(C)=O)c1[O-] ZINC000908387803 638701918 /nfs/dbraw/zinc/70/19/18/638701918.db2.gz GUJVACFDTXZLFZ-UHFFFAOYSA-N -1 3 249.310 2.006 20 0 BEADHM CC(=O)CCCCCNC(=O)c1ccccc1[O-] ZINC000909086193 639137751 /nfs/dbraw/zinc/13/77/51/639137751.db2.gz VHJADEMCDSVOJA-UHFFFAOYSA-N -1 3 249.310 2.271 20 0 BEADHM CCC[C@H](CN=c1cc[nH]cc1Cl)C(=O)[O-] ZINC000910465459 639459812 /nfs/dbraw/zinc/45/98/12/639459812.db2.gz JXKISHTVQFLGHK-MRVPVSSYSA-N -1 3 242.706 2.070 20 0 BEADHM Cc1cccc([O-])c1C(=O)NN1CCCC[C@@H]1C ZINC000912158116 639956843 /nfs/dbraw/zinc/95/68/43/639956843.db2.gz BAXGWKZNLPZOCV-NSHDSACASA-N -1 3 248.326 2.220 20 0 BEADHM O=C([N-]OCC1CCC1)C1(C2CC2)CCC1 ZINC000912724983 640181005 /nfs/dbraw/zinc/18/10/05/640181005.db2.gz YHJAQMFGKRHMOG-UHFFFAOYSA-N -1 3 223.316 2.415 20 0 BEADHM Cc1ccoc1CN1CCCCC[C@@H]1C(=O)[O-] ZINC000229552640 640966623 /nfs/dbraw/zinc/96/66/23/640966623.db2.gz JSWKUXDPCMHOMO-LLVKDONJSA-N -1 3 237.299 2.417 20 0 BEADHM CCc1noc(C)c1[N-]C(=O)c1coc(C=O)c1 ZINC000935077970 641330913 /nfs/dbraw/zinc/33/09/13/641330913.db2.gz MJNPGSBVYKEKRX-UHFFFAOYSA-N -1 3 248.238 2.203 20 0 BEADHM CCCCC1(C(=O)[N-]OC2CCOCC2)CC1 ZINC000935455605 641408087 /nfs/dbraw/zinc/40/80/87/641408087.db2.gz GNDKSTXUOUPQQP-UHFFFAOYSA-N -1 3 241.331 2.184 20 0 BEADHM O=C([N-]OCCC(F)(F)F)[C@]12C[C@H]1CCC2 ZINC000935502089 641421039 /nfs/dbraw/zinc/42/10/39/641421039.db2.gz SAEDLBDPPBQOPX-VXNVDRBHSA-N -1 3 237.221 2.177 20 0 BEADHM O=C(CC1CCCCC1)[N-]OC[C@@H]1CCOC1 ZINC000187965418 641736144 /nfs/dbraw/zinc/73/61/44/641736144.db2.gz LHXLYHGPQRUMIU-GFCCVEGCSA-N -1 3 241.331 2.041 20 0 BEADHM CC[C@@H](CC(=O)[N-]OC[C@@H]1CCOC1)C(C)C ZINC000187954442 641736715 /nfs/dbraw/zinc/73/67/15/641736715.db2.gz OODFEMXMCXAXNN-NEPJUHHUSA-N -1 3 243.347 2.143 20 0 BEADHM Cc1ccc([O-])c(C(=O)Nc2ccc(F)nc2)c1 ZINC000153970238 641934710 /nfs/dbraw/zinc/93/47/10/641934710.db2.gz IWMUIPFUIIELST-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM O=c1cc(N[C@H](C2CC2)C2CCC2)nc[n-]1 ZINC000324706002 641983967 /nfs/dbraw/zinc/98/39/67/641983967.db2.gz AVCOBHWAZZMNGT-LBPRGKRZSA-N -1 3 219.288 2.173 20 0 BEADHM O=C([O-])C1CN(Cc2cc3ccccc3s2)C1 ZINC000263512409 642799600 /nfs/dbraw/zinc/79/96/00/642799600.db2.gz NUARYGHTHFFFKP-UHFFFAOYSA-N -1 3 247.319 2.418 20 0 BEADHM CC[C@H](CO)/N=C/c1cc(Cl)ccc1[O-] ZINC000183385492 643110758 /nfs/dbraw/zinc/11/07/58/643110758.db2.gz AMMRKTSXYWJLOF-KUKWCLJQSA-N -1 3 227.691 2.235 20 0 BEADHM CCOCCO[N-]C(=O)CC1CCCCC1 ZINC000184819930 643242462 /nfs/dbraw/zinc/24/24/62/643242462.db2.gz ITJNUUCNWHVDHF-UHFFFAOYSA-N -1 3 229.320 2.041 20 0 BEADHM CCCCCCN(C)CC(=O)[N-]OC1CCC1 ZINC000812788058 643377453 /nfs/dbraw/zinc/37/74/53/643377453.db2.gz FXVFAZXYZSHSBB-UHFFFAOYSA-N -1 3 242.363 2.099 20 0 BEADHM CCc1ccc([O-])c(C(=O)NOC2CCC2)c1 ZINC000812792950 643380170 /nfs/dbraw/zinc/38/01/70/643380170.db2.gz LRAUXTKUKOOAQV-UHFFFAOYSA-N -1 3 235.283 2.169 20 0 BEADHM COC[C@@H](C)O[N-]C(=O)CCC1CCCCC1 ZINC000083536831 643639074 /nfs/dbraw/zinc/63/90/74/643639074.db2.gz QYVVAOXVUBRCJG-LLVKDONJSA-N -1 3 243.347 2.430 20 0 BEADHM O=C(CCC1CCCC1)[N-]OC1CCOCC1 ZINC000772723397 643727354 /nfs/dbraw/zinc/72/73/54/643727354.db2.gz UKNBHCAJHJUOQL-UHFFFAOYSA-N -1 3 241.331 2.184 20 0 BEADHM O=C([N-]CC1CCC=CCC1)C(F)(F)F ZINC000921929818 643828419 /nfs/dbraw/zinc/82/84/19/643828419.db2.gz YKKGDVSNHZTJEU-UHFFFAOYSA-N -1 3 221.222 2.411 20 0 BEADHM CCN(CC#N)Cc1cc(Cl)ccc1[O-] ZINC000092398871 644656405 /nfs/dbraw/zinc/65/64/05/644656405.db2.gz FWGPOQPTAMZWLR-UHFFFAOYSA-N -1 3 224.691 2.391 20 0 BEADHM O=C(CCc1ccoc1)[N-]OC1CCCC1 ZINC000774867128 644698950 /nfs/dbraw/zinc/69/89/50/644698950.db2.gz YRAZNKPSXJLMKD-UHFFFAOYSA-N -1 3 223.272 2.203 20 0 BEADHM O=C(CCC1CCOCC1)[N-]OC1CCCC1 ZINC000774868071 644699148 /nfs/dbraw/zinc/69/91/48/644699148.db2.gz UTVQGSGOTJCILY-UHFFFAOYSA-N -1 3 241.331 2.184 20 0 BEADHM Cc1ncccc1COC(=O)c1ccc([O-])cc1 ZINC000811032807 644908507 /nfs/dbraw/zinc/90/85/07/644908507.db2.gz JEVOZODOVVLEBO-UHFFFAOYSA-N -1 3 243.262 2.453 20 0 BEADHM C[C@@H](CC(=O)[N-]OCC1CC1)c1cccnc1 ZINC000817339595 644973228 /nfs/dbraw/zinc/97/32/28/644973228.db2.gz PDSYVHZPHCRZHP-JTQLQIEISA-N -1 3 234.299 2.033 20 0 BEADHM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1ncccc1[O-] ZINC000867342370 645311879 /nfs/dbraw/zinc/31/18/79/645311879.db2.gz RRHYXGCTIAOOHR-XFWSIPNHSA-N -1 3 232.283 2.018 20 0 BEADHM C[C@@H]1C[C@H]1c1ccc(CN(C)CCC(=O)[O-])o1 ZINC000105980653 645375227 /nfs/dbraw/zinc/37/52/27/645375227.db2.gz WXLMZTSIVTYDDH-MWLCHTKSSA-N -1 3 237.299 2.310 20 0 BEADHM O=C(N[C@H]1C=CCC1)c1cc([O-])ccc1Cl ZINC000829342315 645913566 /nfs/dbraw/zinc/91/35/66/645913566.db2.gz IGQQFZBFERXTDE-QMMMGPOBSA-N -1 3 237.686 2.494 20 0 BEADHM CCO[N-]C(=O)CCc1ccc(SC)cc1 ZINC000929711152 646263924 /nfs/dbraw/zinc/26/39/24/646263924.db2.gz BGBJPMCMIFHZND-UHFFFAOYSA-N -1 3 239.340 2.409 20 0 BEADHM [O-]c1cccc(CNC2CSC2)c1Cl ZINC000701979562 712034576 /nfs/dbraw/zinc/03/45/76/712034576.db2.gz KEEGFXWQLRYWSZ-UHFFFAOYSA-N -1 3 229.732 2.251 20 0 BEADHM CCC(F)(F)CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000704749046 712114785 /nfs/dbraw/zinc/11/47/85/712114785.db2.gz UJTNMBNOKLVIIQ-LPEHRKFASA-N -1 3 247.285 2.217 20 0 BEADHM Cc1nc(NCC[C@@H]2CCSC2)cc(=O)[n-]1 ZINC000704787951 712116824 /nfs/dbraw/zinc/11/68/24/712116824.db2.gz SJYQLEUNPMOUAZ-SECBINFHSA-N -1 3 239.344 2.046 20 0 BEADHM Fc1ccc(-c2cncs2)cc1-c1nnn[n-]1 ZINC001241501255 1169723531 /nfs/dbraw/zinc/72/35/31/1169723531.db2.gz WHZFUPSELLUVNR-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM Fc1ccc(-c2cncs2)cc1-c1nn[n-]n1 ZINC001241501255 1169723537 /nfs/dbraw/zinc/72/35/37/1169723537.db2.gz WHZFUPSELLUVNR-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM CCCOC(=O)c1csc(=NCC(C)C)[n-]1 ZINC000381754004 710702106 /nfs/dbraw/zinc/70/21/06/710702106.db2.gz RSEAZXSPHRWPSQ-UHFFFAOYSA-N -1 3 242.344 2.200 20 0 BEADHM O=C([O-])c1ccc(CN[C@@H]2CC23CCCC3)nc1 ZINC000387108596 711040516 /nfs/dbraw/zinc/04/05/16/711040516.db2.gz GRHBYUOMQHSXAE-GFCCVEGCSA-N -1 3 246.310 2.202 20 0 BEADHM CC[C@@]1(C)CCN(Cc2cccc(C(=O)[O-])n2)C1 ZINC000399301735 711426910 /nfs/dbraw/zinc/42/69/10/711426910.db2.gz NIKPXSMNZZHVMY-AWEZNQCLSA-N -1 3 248.326 2.402 20 0 BEADHM C[C@@H]1CC(SCCc2nnn[n-]2)C[C@@H](C)C1 ZINC000901565130 710871862 /nfs/dbraw/zinc/87/18/62/710871862.db2.gz IKZAXNYPIWJQFJ-IUCAKERBSA-N -1 3 240.376 2.300 20 0 BEADHM C[C@@H]1CC(SCCc2nn[n-]n2)C[C@@H](C)C1 ZINC000901565130 710871864 /nfs/dbraw/zinc/87/18/64/710871864.db2.gz IKZAXNYPIWJQFJ-IUCAKERBSA-N -1 3 240.376 2.300 20 0 BEADHM Cc1nc(N2CCc3ccccc3C2)cc(=O)[n-]1 ZINC000891390696 711510034 /nfs/dbraw/zinc/51/00/34/711510034.db2.gz OFCPFYVFHWMGPD-UHFFFAOYSA-N -1 3 241.294 2.053 20 0 BEADHM C[C@@H]1CCCCN1Cc1cncc(C(=O)[O-])c1 ZINC000721537781 711620196 /nfs/dbraw/zinc/62/01/96/711620196.db2.gz COSWIORDIXLMHW-SNVBAGLBSA-N -1 3 234.299 2.154 20 0 BEADHM CC[C@H]1CC[C@H](C)N1Cc1cc(C(=O)[O-])no1 ZINC000136276799 711647378 /nfs/dbraw/zinc/64/73/78/711647378.db2.gz ZGZYGPAIRCMMOF-IUCAKERBSA-N -1 3 238.287 2.136 20 0 BEADHM CC[C@H]1CC[C@@H](C)N1Cc1cc(C(=O)[O-])no1 ZINC000136276883 711694998 /nfs/dbraw/zinc/69/49/98/711694998.db2.gz ZGZYGPAIRCMMOF-BDAKNGLRSA-N -1 3 238.287 2.136 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-]C2(C(C)C)CC2)o1 ZINC000334298342 711715010 /nfs/dbraw/zinc/71/50/10/711715010.db2.gz DOTLGYZRXHIAEH-UHFFFAOYSA-N -1 3 243.328 2.055 20 0 BEADHM COCCO[N-]C(=O)C[C@@H](C)CC(C)(C)C ZINC000700590766 711999135 /nfs/dbraw/zinc/99/91/35/711999135.db2.gz UONVUDZFADWUSS-SNVBAGLBSA-N -1 3 231.336 2.143 20 0 BEADHM O=C(c1ccccc1[O-])N1CCC[C@@H](CF)C1 ZINC000711450344 712301590 /nfs/dbraw/zinc/30/15/90/712301590.db2.gz GZNRFTKLSCLXNL-JTQLQIEISA-N -1 3 237.274 2.214 20 0 BEADHM O=C([O-])c1coc(CN2CCC[C@H](CF)C2)c1 ZINC000711450405 712301626 /nfs/dbraw/zinc/30/16/26/712301626.db2.gz BSSKHAHRGUNJJI-SECBINFHSA-N -1 3 241.262 2.159 20 0 BEADHM Cc1nc(NC[C@H]2CCC3(CCC3)O2)cc(=O)[n-]1 ZINC000711451733 712302148 /nfs/dbraw/zinc/30/21/48/712302148.db2.gz DUUMYCWOUCVZPD-SNVBAGLBSA-N -1 3 249.314 2.004 20 0 BEADHM COc1ccc(C(=O)NC[C@H]2C=CCC2)c([O-])c1 ZINC000711666187 712318759 /nfs/dbraw/zinc/31/87/59/712318759.db2.gz IBNDCJQILBPIPS-JTQLQIEISA-N -1 3 247.294 2.097 20 0 BEADHM CCC1(NCc2cc(C(=O)[O-])co2)CC1 ZINC000379703634 712392357 /nfs/dbraw/zinc/39/23/57/712392357.db2.gz FZVVXQYNBJJOBJ-UHFFFAOYSA-N -1 3 209.245 2.010 20 0 BEADHM Cc1cccc([O-])c1C(=O)N(C)CCCF ZINC000716736170 712571625 /nfs/dbraw/zinc/57/16/25/712571625.db2.gz PYFGUEUIQAUPMS-UHFFFAOYSA-N -1 3 225.263 2.132 20 0 BEADHM Cc1ccc(C(=O)N(C)CCCF)c([O-])c1 ZINC000716737634 712571715 /nfs/dbraw/zinc/57/17/15/712571715.db2.gz XSGWXUITTXPKDS-UHFFFAOYSA-N -1 3 225.263 2.132 20 0 BEADHM Cc1ccccc1CC(=O)[N-]OC1CCC1 ZINC000812788086 712586711 /nfs/dbraw/zinc/58/67/11/712586711.db2.gz OAFALMULJHLJFH-UHFFFAOYSA-N -1 3 219.284 2.138 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@H]1CC12CCC2 ZINC000721151711 712892731 /nfs/dbraw/zinc/89/27/31/712892731.db2.gz VOQDBPSCPPFGDA-NSHDSACASA-N -1 3 231.295 2.373 20 0 BEADHM COC/C=C/C(=O)Nc1c([O-])cccc1Cl ZINC001141469377 961076366 /nfs/dbraw/zinc/07/63/66/961076366.db2.gz QOHBOKFNSXGFAO-ZZXKWVIFSA-N -1 3 241.674 2.187 20 0 BEADHM CC(=O)c1cccc([O-])c1NC(=O)C(F)(F)F ZINC001142768819 961728704 /nfs/dbraw/zinc/72/87/04/961728704.db2.gz BFENKPZOSDZOJH-UHFFFAOYSA-N -1 3 247.172 2.096 20 0 BEADHM [O-]c1cccc(O[C@H]2CCCOC2)c1F ZINC001233867691 965597472 /nfs/dbraw/zinc/59/74/72/965597472.db2.gz HQFFCVKFUMEMQO-QMMMGPOBSA-N -1 3 212.220 2.089 20 0 BEADHM CC(C)=CCc1ccc(-c2nnn[n-]2)cc1 ZINC001249951557 967192407 /nfs/dbraw/zinc/19/24/07/967192407.db2.gz KCUQCMMMUZYFHF-UHFFFAOYSA-N -1 3 214.272 2.375 20 0 BEADHM CC(C)=CCc1ccc(-c2nn[n-]n2)cc1 ZINC001249951557 967192415 /nfs/dbraw/zinc/19/24/15/967192415.db2.gz KCUQCMMMUZYFHF-UHFFFAOYSA-N -1 3 214.272 2.375 20 0 BEADHM CCN(CC)C(=O)Cc1c(F)ccc([O-])c1F ZINC001250011137 967269102 /nfs/dbraw/zinc/26/91/02/967269102.db2.gz PITPNLHTFSBUNF-UHFFFAOYSA-N -1 3 243.253 2.081 20 0 BEADHM CC(C)NC(=O)Nc1ccc([O-])c(F)c1 ZINC000082878393 1165929943 /nfs/dbraw/zinc/92/99/43/1165929943.db2.gz DKWXQRVSXSKDNU-UHFFFAOYSA-N -1 3 212.224 2.061 20 0 BEADHM Nc1cccn1-c1cccc([O-])c1Cl ZINC001210853757 1165957943 /nfs/dbraw/zinc/95/79/43/1165957943.db2.gz IPZJDJJUCPMYOZ-UHFFFAOYSA-N -1 3 208.648 2.419 20 0 BEADHM Nc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000147972058 1166032858 /nfs/dbraw/zinc/03/28/58/1166032858.db2.gz YYSRHBYLOBPIPP-UHFFFAOYSA-N -1 3 237.266 2.116 20 0 BEADHM Nc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000147972058 1166032864 /nfs/dbraw/zinc/03/28/64/1166032864.db2.gz YYSRHBYLOBPIPP-UHFFFAOYSA-N -1 3 237.266 2.116 20 0 BEADHM Cc1ncc(C)c(-c2ccccc2[O-])n1 ZINC000082912359 1166085394 /nfs/dbraw/zinc/08/53/94/1166085394.db2.gz WMECAZLWTNBNBX-UHFFFAOYSA-N -1 3 200.241 2.466 20 0 BEADHM [O-]c1c(F)cc(Nc2cnccn2)cc1F ZINC001213370235 1166298940 /nfs/dbraw/zinc/29/89/40/1166298940.db2.gz ASNFITWMTFMYGS-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM Cc1cc(Nc2cc(=O)[n-]c(C)n2)ccc1CO ZINC001211572651 1166353533 /nfs/dbraw/zinc/35/35/33/1166353533.db2.gz JGBHXFWGTQUSPV-UHFFFAOYSA-N -1 3 245.282 2.035 20 0 BEADHM COC(=O)CCCc1cc(F)cc(F)c1[O-] ZINC000261235483 1166514901 /nfs/dbraw/zinc/51/49/01/1166514901.db2.gz WKZVYFXNCGSUHF-UHFFFAOYSA-N -1 3 230.210 2.166 20 0 BEADHM Cc1nonc1Nc1cccc(Cl)c1[O-] ZINC001210216246 969834479 /nfs/dbraw/zinc/83/44/79/969834479.db2.gz RZKNOHWGIJAIKV-UHFFFAOYSA-N -1 3 225.635 2.481 20 0 BEADHM COc1ncnc(Cl)c1[N-]c1nccs1 ZINC001210990150 970102288 /nfs/dbraw/zinc/10/22/88/970102288.db2.gz YLBUAWSEAWUPCH-UHFFFAOYSA-N -1 3 242.691 2.339 20 0 BEADHM O=c1cc(N2CC[C@@H]3CCCC[C@H]3C2)nc[n-]1 ZINC000253627656 1166853161 /nfs/dbraw/zinc/85/31/61/1166853161.db2.gz JNEWBFMLYYUQSG-QWRGUYRKSA-N -1 3 233.315 2.199 20 0 BEADHM [O-]c1cccc(O[C@@H]2COC[C@H]2F)c1Cl ZINC001226711403 975043861 /nfs/dbraw/zinc/04/38/61/975043861.db2.gz KPTSXVLALADXNK-HZGVNTEJSA-N -1 3 232.638 2.161 20 0 BEADHM CCCCOC[C@H](C)Oc1ccnc(=S)[n-]1 ZINC001226938568 975161831 /nfs/dbraw/zinc/16/18/31/975161831.db2.gz BKQSCHDIBBJCLM-VIFPVBQESA-N -1 3 242.344 2.349 20 0 BEADHM Cc1ccc(NC(=O)c2cc(=O)[n-]cn2)cc1C ZINC000585356847 1167031721 /nfs/dbraw/zinc/03/17/21/1167031721.db2.gz JTFZJOMDFFJOHK-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@@H](C)C1CCCC1 ZINC001226076794 1167069095 /nfs/dbraw/zinc/06/90/95/1167069095.db2.gz PEEZQOMSLKMCOR-VIFPVBQESA-N -1 3 222.288 2.448 20 0 BEADHM C[C@@H]1CC[C@H]1Nc1cccc(-c2nnn[n-]2)c1 ZINC000383318657 1167121612 /nfs/dbraw/zinc/12/16/12/1167121612.db2.gz BVGPMRHFCMKHGT-LDYMZIIASA-N -1 3 229.287 2.077 20 0 BEADHM C[C@@H]1CC[C@H]1Nc1cccc(-c2nn[n-]n2)c1 ZINC000383318657 1167121615 /nfs/dbraw/zinc/12/16/15/1167121615.db2.gz BVGPMRHFCMKHGT-LDYMZIIASA-N -1 3 229.287 2.077 20 0 BEADHM Cc1nc(O[C@@H]2CC3CCC2CC3)cc(=O)[n-]1 ZINC001226510187 1167140144 /nfs/dbraw/zinc/14/01/44/1167140144.db2.gz IQUMTGIBOIPHNJ-VQXHTEKXSA-N -1 3 234.299 2.448 20 0 BEADHM Cc1nc(OC2Cc3ccccc3C2)cc(=O)[n-]1 ZINC001226508869 1167140250 /nfs/dbraw/zinc/14/02/50/1167140250.db2.gz DYNMGCPUCBXXPI-UHFFFAOYSA-N -1 3 242.278 2.037 20 0 BEADHM CCc1nc(O[C@@H]2CC[C@H](C)C2)cc(=O)[n-]1 ZINC000721525695 977072093 /nfs/dbraw/zinc/07/20/93/977072093.db2.gz BZOLYTCXPRSVNF-DTWKUNHWSA-N -1 3 222.288 2.312 20 0 BEADHM CCC(CC)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230789692 977334299 /nfs/dbraw/zinc/33/42/99/977334299.db2.gz BZGFCMFQGPTLBY-UHFFFAOYSA-N -1 3 240.328 2.398 20 0 BEADHM CCC[C@@H](C)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230790415 977337931 /nfs/dbraw/zinc/33/79/31/977337931.db2.gz KQWXKIHPWZVNGC-SSDOTTSWSA-N -1 3 240.328 2.398 20 0 BEADHM [O-]c1cc(CN2CCC[C@H]2CO)ccc1Cl ZINC001231732384 977714986 /nfs/dbraw/zinc/71/49/86/977714986.db2.gz ZDDJHLYUKVKOEQ-JTQLQIEISA-N -1 3 241.718 2.002 20 0 BEADHM Cc1noc(C)c1[N-]c1ncc(C)c(C)n1 ZINC001176177572 977975362 /nfs/dbraw/zinc/97/53/62/977975362.db2.gz RVACQXUCIVCXAN-UHFFFAOYSA-N -1 3 218.260 2.442 20 0 BEADHM Cc1cc([O-])c(Cl)cc1OC1CC(=O)C1 ZINC001233593300 978641824 /nfs/dbraw/zinc/64/18/24/978641824.db2.gz VFQKAEDDCQCDLR-UHFFFAOYSA-N -1 3 226.659 2.464 20 0 BEADHM CCOC[C@@H](C)Oc1cccc([O-])c1F ZINC001233870695 978719063 /nfs/dbraw/zinc/71/90/63/978719063.db2.gz HMUQCYQUBBPILO-MRVPVSSYSA-N -1 3 214.236 2.335 20 0 BEADHM CCOC(=O)CCCc1c([O-])cccc1F ZINC001249975511 978911389 /nfs/dbraw/zinc/91/13/89/978911389.db2.gz FEZLGXQEXFYHRI-UHFFFAOYSA-N -1 3 226.247 2.417 20 0 BEADHM CSCC(C)(C)C(=O)[N-]OC(C)(C)C ZINC001339961128 978948393 /nfs/dbraw/zinc/94/83/93/978948393.db2.gz STTDUSXBMXTPGP-UHFFFAOYSA-N -1 3 219.350 2.222 20 0 BEADHM CC(=O)C[C@@H](C)C(=O)Nc1ccc(F)c([O-])c1 ZINC001181256837 979038128 /nfs/dbraw/zinc/03/81/28/979038128.db2.gz NMOOHCWWQAGSIX-SSDOTTSWSA-N -1 3 239.246 2.085 20 0 BEADHM C/C(=C/CN[C@@H](C)c1cnc(C)s1)C(=O)[O-] ZINC001602975317 979352811 /nfs/dbraw/zinc/35/28/11/979352811.db2.gz LPDDADXCXQYQRR-NZGHECTNSA-N -1 3 240.328 2.133 20 0 BEADHM CSCSc1ccccc1-c1nn[n-]n1 ZINC001605376879 979863749 /nfs/dbraw/zinc/86/37/49/979863749.db2.gz UHKVOZQRXCDNFE-UHFFFAOYSA-N -1 3 238.341 2.279 20 0 BEADHM Cc1cc(F)ncc1NCc1ncccc1[O-] ZINC001169731803 1168500947 /nfs/dbraw/zinc/50/09/47/1168500947.db2.gz QRSYXBHADDQAHK-UHFFFAOYSA-N -1 3 233.246 2.242 20 0 BEADHM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCC[C@H](F)C1 ZINC001348971622 981490136 /nfs/dbraw/zinc/49/01/36/981490136.db2.gz FADONSDBQADCEW-OUAUKWLOSA-N -1 3 245.294 2.089 20 0 BEADHM CCCCCCOC(=O)Nc1cnc[n-]c1=O ZINC001194161960 981582490 /nfs/dbraw/zinc/58/24/90/981582490.db2.gz DSTWPIQXPQUPPB-UHFFFAOYSA-N -1 3 239.275 2.311 20 0 BEADHM CC[C@@H](C)OC(=O)Nc1nc(C)ccc1[O-] ZINC001195076700 982053723 /nfs/dbraw/zinc/05/37/23/982053723.db2.gz PDVPGWUPELQFQA-MRVPVSSYSA-N -1 3 224.260 2.443 20 0 BEADHM FC(F)(F)c1cnc([N-]c2cnoc2)nc1 ZINC001203231743 1168751649 /nfs/dbraw/zinc/75/16/49/1168751649.db2.gz LTFVIXFADLBDJF-UHFFFAOYSA-N -1 3 230.149 2.227 20 0 BEADHM CC(C)(C)O[N-]C(=O)CCCc1cccnc1 ZINC001351205377 982232455 /nfs/dbraw/zinc/23/24/55/982232455.db2.gz NBSUXJYNXLGKLN-UHFFFAOYSA-N -1 3 236.315 2.251 20 0 BEADHM Cc1nc(C(=O)Nc2cncc([O-])c2)sc1C ZINC001192597758 1168790486 /nfs/dbraw/zinc/79/04/86/1168790486.db2.gz KIMCRKRUKUZOCA-UHFFFAOYSA-N -1 3 249.295 2.113 20 0 BEADHM CSCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001591699075 983079679 /nfs/dbraw/zinc/07/96/79/983079679.db2.gz HPVBSUFWZMCARY-UHFFFAOYSA-N -1 3 240.719 2.383 20 0 BEADHM CSCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001591699075 983079690 /nfs/dbraw/zinc/07/96/90/983079690.db2.gz HPVBSUFWZMCARY-UHFFFAOYSA-N -1 3 240.719 2.383 20 0 BEADHM Nc1ccc(Nc2ncc(Cl)cc2[O-])cn1 ZINC001201275994 983176266 /nfs/dbraw/zinc/17/62/66/983176266.db2.gz NXFZWRWPCVTAGF-UHFFFAOYSA-N -1 3 236.662 2.161 20 0 BEADHM CCC[C@H](CC)[NH2+]CCCCP(=O)([O-])[O-] ZINC001257246916 1169072042 /nfs/dbraw/zinc/07/20/42/1169072042.db2.gz GTEQCMNCDJEWKT-JTQLQIEISA-N -1 3 237.280 2.113 20 0 BEADHM C[C@H]1CCN1Cc1sccc1C(=O)[O-] ZINC001144664393 972927244 /nfs/dbraw/zinc/92/72/44/972927244.db2.gz GLGGDELJXFVSOH-ZETCQYMHSA-N -1 3 211.286 2.041 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)c1cocn1 ZINC001159657011 1169439526 /nfs/dbraw/zinc/43/95/26/1169439526.db2.gz HYISNWCNBCSFRC-UHFFFAOYSA-N -1 3 238.630 2.286 20 0 BEADHM Cc1cnn(C)c1Nc1cc(F)c([O-])cc1F ZINC001215572260 970793030 /nfs/dbraw/zinc/79/30/30/970793030.db2.gz SAJCNQVYRTXKCC-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM Cc1ncc(-c2cccc([O-])c2F)cc1C(N)=O ZINC001243545478 970794674 /nfs/dbraw/zinc/79/46/74/970794674.db2.gz BRLJKIIWWWHOEW-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM COc1cc(Nc2cnc[n-]c2=O)cc(C)c1F ZINC001215701161 970809881 /nfs/dbraw/zinc/80/98/81/970809881.db2.gz CLEXDWGMBYBBGX-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM C[C@@H]1C[C@H]1c1nnc(-c2c([O-])cccc2O)o1 ZINC001256627652 970893452 /nfs/dbraw/zinc/89/34/52/970893452.db2.gz YHZXNNXKGRSVCI-RNFRBKRXSA-N -1 3 232.239 2.271 20 0 BEADHM C[C@@H]1C[C@@H]1c1nnc(-c2cc(Cl)n[n-]2)o1 ZINC001256717557 970932921 /nfs/dbraw/zinc/93/29/21/970932921.db2.gz HRNUYSAEFRQZLG-UHNVWZDZSA-N -1 3 224.651 2.237 20 0 BEADHM Cc1nc(Nc2cccc(O)c2C)cc(=O)[n-]1 ZINC001216318728 971033175 /nfs/dbraw/zinc/03/31/75/971033175.db2.gz BDJRQYNBPUBLCS-UHFFFAOYSA-N -1 3 231.255 2.248 20 0 BEADHM CC(C)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000095208541 944616945 /nfs/dbraw/zinc/61/69/45/944616945.db2.gz LIMWZXRBLWEMID-UHFFFAOYSA-N -1 3 237.694 2.340 20 0 BEADHM CC(C)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000095208541 944616954 /nfs/dbraw/zinc/61/69/54/944616954.db2.gz LIMWZXRBLWEMID-UHFFFAOYSA-N -1 3 237.694 2.340 20 0 BEADHM C=CCSc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000095211421 944618955 /nfs/dbraw/zinc/61/89/55/944618955.db2.gz CIHCQZYCXUBIIV-UHFFFAOYSA-N -1 3 247.327 2.157 20 0 BEADHM C=CCSc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000095211421 944618962 /nfs/dbraw/zinc/61/89/62/944618962.db2.gz CIHCQZYCXUBIIV-UHFFFAOYSA-N -1 3 247.327 2.157 20 0 BEADHM [O-]c1cc(NC2=CCCOC2)c(F)cc1F ZINC001216510787 971113943 /nfs/dbraw/zinc/11/39/43/971113943.db2.gz XUHSKVGAUKLIHN-UHFFFAOYSA-N -1 3 227.210 2.387 20 0 BEADHM CC(=O)c1ccc(Nc2cncc([O-])c2)cn1 ZINC001210270285 1169520916 /nfs/dbraw/zinc/52/09/16/1169520916.db2.gz LAKBXUORPHXSKZ-UHFFFAOYSA-N -1 3 229.239 2.128 20 0 BEADHM Cc1cc(Nc2cc(=O)[n-]c(=S)[nH]2)c(C)o1 ZINC001210278959 1169521985 /nfs/dbraw/zinc/52/19/85/1169521985.db2.gz BMUCUCOJHFGCTQ-UHFFFAOYSA-N -1 3 237.284 2.424 20 0 BEADHM COc1cccc([O-])c1C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000405287296 971226623 /nfs/dbraw/zinc/22/66/23/971226623.db2.gz GZKYHLBCKHVZIR-NXEZZACHSA-N -1 3 249.310 2.129 20 0 BEADHM COc1cccc([O-])c1C(=O)N(C)C1CCC1 ZINC000405310304 971232618 /nfs/dbraw/zinc/23/26/18/971232618.db2.gz MSMZVGXWPOTSCA-UHFFFAOYSA-N -1 3 235.283 2.025 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000405326479 971237201 /nfs/dbraw/zinc/23/72/01/971237201.db2.gz UPLKSPHBCNEPBE-ZJUUUORDSA-N -1 3 249.310 2.271 20 0 BEADHM CCC1(C)CN(C(=O)c2c([O-])cccc2OC)C1 ZINC000405326865 971238397 /nfs/dbraw/zinc/23/83/97/971238397.db2.gz USVMBOKDUIAGLG-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM CC(=O)c1cc(-c2nnc(C3CCCC3)o2)[n-]n1 ZINC001257499960 971416383 /nfs/dbraw/zinc/41/63/83/971416383.db2.gz UAJKQFQPCQWUKH-UHFFFAOYSA-N -1 3 246.270 2.320 20 0 BEADHM Cc1cc(NCc2ncccc2[O-])ncc1F ZINC001158770764 971454902 /nfs/dbraw/zinc/45/49/02/971454902.db2.gz LMSSKHNHCPEJAR-UHFFFAOYSA-N -1 3 233.246 2.242 20 0 BEADHM O=C([O-])c1ccc(CNCc2cccnc2)s1 ZINC000006802965 948770379 /nfs/dbraw/zinc/77/03/79/948770379.db2.gz WQRKLWKWBJEUSG-UHFFFAOYSA-N -1 3 248.307 2.131 20 0 BEADHM C[C@@H](NCc1nc(C(=O)[O-])cs1)C(C)(C)C ZINC000378689901 971571671 /nfs/dbraw/zinc/57/16/71/971571671.db2.gz YLEWYNXOJMIIHQ-SSDOTTSWSA-N -1 3 242.344 2.366 20 0 BEADHM Cc1cc(O[C@@H](C)c2cnccn2)[n-]c(=S)n1 ZINC001226798824 1169609885 /nfs/dbraw/zinc/60/98/85/1169609885.db2.gz LRWUHYJOUPNGKM-QMMMGPOBSA-N -1 3 248.311 2.004 20 0 BEADHM [O-]c1cc(Cl)cc(F)c1OC1CC(O)C1 ZINC001218261097 971664148 /nfs/dbraw/zinc/66/41/48/971664148.db2.gz CHTZZEQQCAZFFL-UHFFFAOYSA-N -1 3 232.638 2.087 20 0 BEADHM [O-]c1cc(Cl)cc(F)c1O[C@H]1C[C@@H](O)C1 ZINC001218422747 971798064 /nfs/dbraw/zinc/79/80/64/971798064.db2.gz CHTZZEQQCAZFFL-KNVOCYPGSA-N -1 3 232.638 2.087 20 0 BEADHM [O-]c1ccc(Cl)c(O[C@H]2C[C@@H](O)C2)c1F ZINC001218424089 971801323 /nfs/dbraw/zinc/80/13/23/971801323.db2.gz ZVTIKPLDKSDBJF-OLQVQODUSA-N -1 3 232.638 2.087 20 0 BEADHM O=C1NCc2cccc(-c3c([O-])cccc3F)c21 ZINC001245653109 971942718 /nfs/dbraw/zinc/94/27/18/971942718.db2.gz KQCLSDQGHRQRBP-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM [O-]c1cccc(F)c1-c1cncc2nccn21 ZINC001245656182 971953581 /nfs/dbraw/zinc/95/35/81/971953581.db2.gz MXAHXFUAXAZQDY-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM [O-]c1cc(F)cc(-c2cnc3nccn3c2)c1 ZINC001241272048 1169713861 /nfs/dbraw/zinc/71/38/61/1169713861.db2.gz MIBTVCNGLZJBKS-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM CC(C)CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000315065311 972212065 /nfs/dbraw/zinc/21/20/65/972212065.db2.gz AHBUYQTWVOHVKV-ZETCQYMHSA-N -1 3 228.317 2.148 20 0 BEADHM [O-]c1cc(F)cnc1Nc1cc(F)nc(F)c1 ZINC001213079088 956936252 /nfs/dbraw/zinc/93/62/52/956936252.db2.gz LQWIKRNIRGUBHP-UHFFFAOYSA-N -1 3 241.172 2.343 20 0 BEADHM C[C@H](CN(C)Cc1cc(F)ccc1F)C(=O)[O-] ZINC000043459128 957432481 /nfs/dbraw/zinc/43/24/81/957432481.db2.gz QXTVYDBLNBOOST-MRVPVSSYSA-N -1 3 243.253 2.117 20 0 BEADHM O=c1[n-]cncc1Nc1ccc2cccnc2c1 ZINC001210055153 957629414 /nfs/dbraw/zinc/62/94/14/957629414.db2.gz YNLQYGNWNOYCHF-UHFFFAOYSA-N -1 3 238.250 2.474 20 0 BEADHM COc1c(F)cccc1Nc1cc(=O)[n-]c(C)n1 ZINC001210404852 957741983 /nfs/dbraw/zinc/74/19/83/957741983.db2.gz OQLIIYUCVXQTAQ-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM CC(C)(O)c1ccc(Nc2cnc[n-]c2=O)cc1 ZINC001210616359 957832542 /nfs/dbraw/zinc/83/25/42/957832542.db2.gz KJHIUIKGPUUTMW-UHFFFAOYSA-N -1 3 245.282 2.153 20 0 BEADHM CCOc1cncc(Nc2cnc(C)[n-]c2=O)c1 ZINC001210663492 957841694 /nfs/dbraw/zinc/84/16/94/957841694.db2.gz ZNSAZCMICVMNEX-UHFFFAOYSA-N -1 3 246.270 2.028 20 0 BEADHM COC(=O)c1occc1[N-]c1nccs1 ZINC001210989257 957972208 /nfs/dbraw/zinc/97/22/08/957972208.db2.gz CBCWTZKWEYJFSZ-UHFFFAOYSA-N -1 3 224.241 2.266 20 0 BEADHM CCC[C@@H](NCc1c(F)cccc1F)C(=O)[O-] ZINC000086734030 957980993 /nfs/dbraw/zinc/98/09/93/957980993.db2.gz BWRZICJNIISRJO-LLVKDONJSA-N -1 3 243.253 2.308 20 0 BEADHM Cc1occc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001211245600 958110140 /nfs/dbraw/zinc/11/01/40/958110140.db2.gz MTLUJINRFFPCOA-UHFFFAOYSA-N -1 3 232.239 2.136 20 0 BEADHM COc1cc(C)cc(F)c1Nc1cnc[n-]c1=O ZINC001215707297 958283720 /nfs/dbraw/zinc/28/37/20/958283720.db2.gz ADBUFMVADGXVGP-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM Cc1[nH]c(CN2CC3CC(C3)C2)c(C)c1C(=O)[O-] ZINC001140496647 958645002 /nfs/dbraw/zinc/64/50/02/958645002.db2.gz LIDQKVXYCISIBW-UHFFFAOYSA-N -1 3 248.326 2.172 20 0 BEADHM COc1cccc([O-])c1C(=O)N[C@@H](C)C1CCC1 ZINC000405307113 959429745 /nfs/dbraw/zinc/42/97/45/959429745.db2.gz YGGRNOFKPSJMTK-VIFPVBQESA-N -1 3 249.310 2.319 20 0 BEADHM CCN(CC1CC1)C(=O)c1c([O-])cccc1OC ZINC000405291927 959431315 /nfs/dbraw/zinc/43/13/15/959431315.db2.gz KPXNPOACRZHXPQ-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM [O-]c1cccc(OC[C@H]2C[C@@H](O)C2)c1Cl ZINC001218431639 960099232 /nfs/dbraw/zinc/09/92/32/960099232.db2.gz ARYKYEOSMRTGQK-OCAPTIKFSA-N -1 3 228.675 2.195 20 0 BEADHM CS[C@@H](CNc1cc(=O)[n-]cn1)C(C)(C)C ZINC000893132361 960236246 /nfs/dbraw/zinc/23/62/46/960236246.db2.gz OBDFDFOTSWCCRA-QMMMGPOBSA-N -1 3 241.360 2.372 20 0 BEADHM CC1(C)CCCN(Cc2cccc(C(=O)[O-])n2)C1 ZINC000232870756 960302008 /nfs/dbraw/zinc/30/20/08/960302008.db2.gz BJZZPQUZQKSTGQ-UHFFFAOYSA-N -1 3 248.326 2.402 20 0 BEADHM CS[C@@H](C)CNCc1cc(C(=O)[O-])c(C)o1 ZINC000235043051 960382606 /nfs/dbraw/zinc/38/26/06/960382606.db2.gz XXIIRALZDYQDPY-ZETCQYMHSA-N -1 3 243.328 2.127 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)c1cccnn1 ZINC001141469185 961071740 /nfs/dbraw/zinc/07/17/40/961071740.db2.gz LEKOEYWNSAUTIW-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM Cc1cccc([O-])c1C(=O)NOC/C=C/Cl ZINC001141763402 961144353 /nfs/dbraw/zinc/14/43/53/961144353.db2.gz PGLRPMYAYUMSEM-ZZXKWVIFSA-N -1 3 241.674 2.115 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)C2(C)CC2)o1 ZINC001213935176 961569797 /nfs/dbraw/zinc/56/97/97/961569797.db2.gz LBTQQVJLIGGHRC-VIFPVBQESA-N -1 3 243.328 2.055 20 0 BEADHM Cc1nc(Nc2ccc3c(c2)OCC3)cc(=O)[n-]1 ZINC001206653278 962997404 /nfs/dbraw/zinc/99/74/04/962997404.db2.gz YUCVRWJNZXJLOS-UHFFFAOYSA-N -1 3 243.266 2.169 20 0 BEADHM C[C@@H](NCC1CCC1)c1ncc(C(=O)[O-])s1 ZINC000315350420 963887693 /nfs/dbraw/zinc/88/76/93/963887693.db2.gz OVVSWTCMYXGNRF-SSDOTTSWSA-N -1 3 240.328 2.292 20 0 BEADHM Cc1ccc(F)c(NCc2ncccc2[O-])n1 ZINC001158770694 963921264 /nfs/dbraw/zinc/92/12/64/963921264.db2.gz HJWNMQQSLVCOIA-UHFFFAOYSA-N -1 3 233.246 2.242 20 0 BEADHM Cc1nc(NC(=O)[C@@]2(C)CC=CCC2)cc(=O)[n-]1 ZINC001142541009 964376041 /nfs/dbraw/zinc/37/60/41/964376041.db2.gz URPANKGBIMKKOC-ZDUSSCGKSA-N -1 3 247.298 2.176 20 0 BEADHM CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccncc1[O-] ZINC001160746580 964404485 /nfs/dbraw/zinc/40/44/85/964404485.db2.gz FNYJQUSAYAUUBK-QWRGUYRKSA-N -1 3 248.326 2.364 20 0 BEADHM CCCCNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001162207878 964869114 /nfs/dbraw/zinc/86/91/14/964869114.db2.gz WLMBWUAFMGLDIN-UHFFFAOYSA-N -1 3 235.266 2.218 20 0 BEADHM CCCCNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001162207878 964869116 /nfs/dbraw/zinc/86/91/16/964869116.db2.gz WLMBWUAFMGLDIN-UHFFFAOYSA-N -1 3 235.266 2.218 20 0 BEADHM Cc1ccc(C(=O)NN2CCCC[C@@H]2C)c([O-])c1 ZINC001163967729 965666138 /nfs/dbraw/zinc/66/61/38/965666138.db2.gz OYNGDXQMSWBZMU-NSHDSACASA-N -1 3 248.326 2.220 20 0 BEADHM CCCC[C@@H](C)Oc1cccc([O-])c1C(N)=O ZINC001234148589 965692593 /nfs/dbraw/zinc/69/25/93/965692593.db2.gz IHDKYBOLJYNCFE-SECBINFHSA-N -1 3 237.299 2.449 20 0 BEADHM Cc1nocc1NC(=O)c1cccc(C)c1[O-] ZINC001164199675 965791657 /nfs/dbraw/zinc/79/16/57/965791657.db2.gz ZEDVIGNYXZGQHU-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM C[C@@H]1COCC[C@@H]1Oc1nc2c(cccc2[O-])[nH]1 ZINC001234450589 965825977 /nfs/dbraw/zinc/82/59/77/965825977.db2.gz BBTYQULBZHJMSS-KCJUWKMLSA-N -1 3 248.282 2.072 20 0 BEADHM NC(=O)c1cccnc1-c1cc([O-])cc(Cl)c1 ZINC001235899282 966142723 /nfs/dbraw/zinc/14/27/23/966142723.db2.gz HZJWJDMXUCUNAX-UHFFFAOYSA-N -1 3 248.669 2.207 20 0 BEADHM [O-]c1cc(Cl)cc(-c2ccc3nncn3n2)c1 ZINC001235906452 966155824 /nfs/dbraw/zinc/15/58/24/966155824.db2.gz JVQSMKPFWZYDOP-UHFFFAOYSA-N -1 3 246.657 2.150 20 0 BEADHM c1cc(C2=CCSCC2)ccc1-c1nnn[n-]1 ZINC001236369127 966386336 /nfs/dbraw/zinc/38/63/36/966386336.db2.gz VTHXLCPFYOLIPY-UHFFFAOYSA-N -1 3 244.323 2.387 20 0 BEADHM c1cc(C2=CCSCC2)ccc1-c1nn[n-]n1 ZINC001236369127 966386346 /nfs/dbraw/zinc/38/63/46/966386346.db2.gz VTHXLCPFYOLIPY-UHFFFAOYSA-N -1 3 244.323 2.387 20 0 BEADHM c1cc(-c2ccc(Cc3nnn[n-]3)cc2)co1 ZINC001239690860 967087549 /nfs/dbraw/zinc/08/75/49/967087549.db2.gz SPLIYZMLMNLGCQ-UHFFFAOYSA-N -1 3 226.239 2.051 20 0 BEADHM c1cc(-c2ccc(Cc3nn[n-]n3)cc2)co1 ZINC001239690860 967087559 /nfs/dbraw/zinc/08/75/59/967087559.db2.gz SPLIYZMLMNLGCQ-UHFFFAOYSA-N -1 3 226.239 2.051 20 0 BEADHM CCOC(=O)CCCc1cc([O-])cc(F)c1 ZINC001249974574 967209533 /nfs/dbraw/zinc/20/95/33/967209533.db2.gz PPVFJJVVOYHECP-UHFFFAOYSA-N -1 3 226.247 2.417 20 0 BEADHM CCOC(=O)CCCc1cccc(F)c1[O-] ZINC001249974666 967216890 /nfs/dbraw/zinc/21/68/90/967216890.db2.gz SPBZSUMYQCYVOI-UHFFFAOYSA-N -1 3 226.247 2.417 20 0 BEADHM [O-]c1c(F)cc(F)cc1Nc1cnccn1 ZINC001212477409 967479070 /nfs/dbraw/zinc/47/90/70/967479070.db2.gz CXOAWOQXCNWSFK-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM [O-]c1cccc(CCn2ccnc2)c1Cl ZINC001250318986 967692821 /nfs/dbraw/zinc/69/28/21/967692821.db2.gz OQWQGTCELIOUME-UHFFFAOYSA-N -1 3 222.675 2.485 20 0 BEADHM S=c1ccc(NC(C2CC2)C2CC2)n[n-]1 ZINC001168743416 967714443 /nfs/dbraw/zinc/71/44/43/967714443.db2.gz GKSLGFOOWGIVTF-UHFFFAOYSA-N -1 3 221.329 2.366 20 0 BEADHM Cc1cc(-c2cnccn2)cc([O-])c1F ZINC001250443398 967834757 /nfs/dbraw/zinc/83/47/57/967834757.db2.gz XPJRMAJSRHWLDB-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Cc1ccnc(F)c1Nc1cnc(C)[n-]c1=O ZINC001212556651 967872711 /nfs/dbraw/zinc/87/27/11/967872711.db2.gz LIFUVKYIRNTPHC-UHFFFAOYSA-N -1 3 234.234 2.077 20 0 BEADHM Cc1noc([N-]c2cnn3cccnc23)c1C ZINC001205940120 967893581 /nfs/dbraw/zinc/89/35/81/967893581.db2.gz CQQHSMNYNKWFEC-UHFFFAOYSA-N -1 3 229.243 2.078 20 0 BEADHM Cc1ccnnc1-c1ccc([O-])cc1F ZINC001206021122 967973710 /nfs/dbraw/zinc/97/37/10/967973710.db2.gz FHMNPRFPGUNXIV-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Cc1ccnc(-c2ccc([O-])cc2F)c1C(N)=O ZINC001206029757 967995393 /nfs/dbraw/zinc/99/53/93/967995393.db2.gz IEVYEIIAPUQBDW-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM O=C(OC[C@@H]1CC[C@H]2C[C@H]2C1)c1cncc([O-])c1 ZINC001118450199 968155545 /nfs/dbraw/zinc/15/55/45/968155545.db2.gz UTCDPMQMOANPHU-OUAUKWLOSA-N -1 3 247.294 2.380 20 0 BEADHM O=C([O-])c1cc(-c2nccc3c2CCN3)cs1 ZINC001206251001 968172237 /nfs/dbraw/zinc/17/22/37/968172237.db2.gz XHUFWBNHJUVNKN-UHFFFAOYSA-N -1 3 246.291 2.476 20 0 BEADHM Cc1cnc(-c2csc(C(=O)[O-])c2)cc1N ZINC001206256478 968176758 /nfs/dbraw/zinc/17/67/58/968176758.db2.gz AJIFMJVYAMTVDH-UHFFFAOYSA-N -1 3 234.280 2.399 20 0 BEADHM O=C(Cc1ccccc1)[N-]OCCC(F)(F)F ZINC001320494143 1169918074 /nfs/dbraw/zinc/91/80/74/1169918074.db2.gz XKXGWCUXFLPAPS-UHFFFAOYSA-N -1 3 247.216 2.229 20 0 BEADHM CCCC[C@H](O)CNc1ccnc(Cl)c1[O-] ZINC001252082244 968500605 /nfs/dbraw/zinc/50/06/05/968500605.db2.gz NMUCDJWDVRZWPJ-QMMMGPOBSA-N -1 3 244.722 2.404 20 0 BEADHM O=C(NC[C@]12C[C@H]1CCC2)c1ccc(O)cc1[O-] ZINC000822101945 968511713 /nfs/dbraw/zinc/51/17/13/968511713.db2.gz IXSZJPHSSRQBQW-OTYXRUKQSA-N -1 3 247.294 2.018 20 0 BEADHM O=C1Cc2ccc(-c3ccc([O-])c(F)c3)nc2N1 ZINC001240783242 968684187 /nfs/dbraw/zinc/68/41/87/968684187.db2.gz PSYDIICIFGSGPV-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM [O-]c1ccccc1-c1ccc2nccn2n1 ZINC001241013941 968859181 /nfs/dbraw/zinc/85/91/81/968859181.db2.gz PSBJZGYUVGVSMA-UHFFFAOYSA-N -1 3 211.224 2.102 20 0 BEADHM Fc1cnccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001241227498 968958154 /nfs/dbraw/zinc/95/81/54/968958154.db2.gz HHEUKCMBYTYTBK-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1cnccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001241227498 968958161 /nfs/dbraw/zinc/95/81/61/968958161.db2.gz HHEUKCMBYTYTBK-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM [O-]c1ccc(F)c(-c2ccn3cnnc3c2)c1F ZINC001241291149 968965967 /nfs/dbraw/zinc/96/59/67/968965967.db2.gz KRBXDEBAYBQGEK-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM C[C@@](O)(CN[C@@H]1[CH]CC=C1)c1ccccc1 ZINC001253124504 969095532 /nfs/dbraw/zinc/09/55/32/969095532.db2.gz ILPSSLOFNPODMJ-UONOGXRCSA-N -1 3 216.304 2.016 20 0 BEADHM CC(C)(C)[C@@H](O)CNc1cc(F)c([O-])c(F)c1 ZINC001253732978 969356767 /nfs/dbraw/zinc/35/67/67/969356767.db2.gz JJHFDIWUFVOYCN-JTQLQIEISA-N -1 3 245.269 2.489 20 0 BEADHM COc1nonc1Nc1ccc(Cl)c([O-])c1 ZINC001212588705 969570949 /nfs/dbraw/zinc/57/09/49/969570949.db2.gz ZFRZIDHUNCKQBM-UHFFFAOYSA-N -1 3 241.634 2.181 20 0 BEADHM COc1ccc(C)c(Nc2cnc[n-]c2=O)c1 ZINC001209839210 969648973 /nfs/dbraw/zinc/64/89/73/969648973.db2.gz LRVSOJVVHHPAOE-UHFFFAOYSA-N -1 3 231.255 2.243 20 0 BEADHM CCCCC(=O)[C@H](C)Nc1ccc(=S)[n-]n1 ZINC001169548445 969740199 /nfs/dbraw/zinc/74/01/99/969740199.db2.gz VHXARPPSJDPWHD-QMMMGPOBSA-N -1 3 239.344 2.325 20 0 BEADHM Cc1nc(Nc2ccc(F)cc2O)cc(=O)[n-]1 ZINC001210014454 969757459 /nfs/dbraw/zinc/75/74/59/969757459.db2.gz KXNMJYNRALUGLG-UHFFFAOYSA-N -1 3 235.218 2.079 20 0 BEADHM O=c1cc[nH]cc1Nc1ccc(Cl)c([O-])c1 ZINC001212591414 969757966 /nfs/dbraw/zinc/75/79/66/969757966.db2.gz LCTQMCDEJDRSCA-UHFFFAOYSA-N -1 3 236.658 2.478 20 0 BEADHM Cc1ncc(Nc2ccc(F)cc2O)c(=O)[n-]1 ZINC001210017116 969760515 /nfs/dbraw/zinc/76/05/15/969760515.db2.gz WPRFECPZRCZMNQ-UHFFFAOYSA-N -1 3 235.218 2.079 20 0 BEADHM COc1ccc(C(C)=O)cc1[N-]c1nonc1C ZINC001210076019 969789878 /nfs/dbraw/zinc/78/98/78/969789878.db2.gz UFDAVWIVXBPAQM-UHFFFAOYSA-N -1 3 247.254 2.333 20 0 BEADHM Cc1ncc(Nc2cccc(CC(=O)[O-])c2)n1C ZINC001210072341 969790666 /nfs/dbraw/zinc/79/06/66/969790666.db2.gz NVBCPGCXROMPIU-UHFFFAOYSA-N -1 3 245.282 2.099 20 0 BEADHM Cc1cccc(Nc2cnc(C)[n-]c2=O)c1O ZINC001210187900 969823392 /nfs/dbraw/zinc/82/33/92/969823392.db2.gz IBAWNJCHUYGRBX-UHFFFAOYSA-N -1 3 231.255 2.248 20 0 BEADHM [O-]c1cccnc1CNc1ccc2cc[nH]c2n1 ZINC001169733520 969836448 /nfs/dbraw/zinc/83/64/48/969836448.db2.gz XSRIXFFLMCWCHX-UHFFFAOYSA-N -1 3 240.266 2.276 20 0 BEADHM COc1nc(C)ccc1NCc1ncccc1[O-] ZINC001169733201 969838119 /nfs/dbraw/zinc/83/81/19/969838119.db2.gz UJETVFIXXKOSOS-UHFFFAOYSA-N -1 3 245.282 2.111 20 0 BEADHM Cc1ccc(Nc2ncc(F)cc2[O-])cc1CO ZINC001210244934 969840041 /nfs/dbraw/zinc/84/00/41/969840041.db2.gz PEAYNIVZGWFWNY-UHFFFAOYSA-N -1 3 248.257 2.471 20 0 BEADHM Cc1ccc(Nc2cc(=O)[n-]c(C)n2)cc1CO ZINC001210244474 969840271 /nfs/dbraw/zinc/84/02/71/969840271.db2.gz BVMURBQGNPNYBO-UHFFFAOYSA-N -1 3 245.282 2.035 20 0 BEADHM COC(=O)c1cccc(-c2ccc([O-])cc2F)n1 ZINC001206021094 969863157 /nfs/dbraw/zinc/86/31/57/969863157.db2.gz DSWRQLRNCREXBD-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM Cn1ccc(Nc2ccc([O-])c(F)c2F)n1 ZINC001210351167 969876115 /nfs/dbraw/zinc/87/61/15/969876115.db2.gz PBJDTELXDLKTLF-UHFFFAOYSA-N -1 3 225.198 2.148 20 0 BEADHM CCc1ncccc1Nc1cc(=O)[n-]c(C)n1 ZINC001210465849 969896224 /nfs/dbraw/zinc/89/62/24/969896224.db2.gz WEECYPKAGVPISH-UHFFFAOYSA-N -1 3 230.271 2.192 20 0 BEADHM Cc1cc(-c2cccc(F)c2[O-])cnc1N ZINC001242350651 969899099 /nfs/dbraw/zinc/89/90/99/969899099.db2.gz JHXJORBPPNBANT-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM [O-]c1c(Cl)cccc1-c1ncnc2c1CNC2 ZINC001242362590 969906757 /nfs/dbraw/zinc/90/67/57/969906757.db2.gz JUJOCCMHVHHXCX-UHFFFAOYSA-N -1 3 247.685 2.106 20 0 BEADHM COc1cc(Nc2ncc(F)cc2[O-])cc(C)n1 ZINC001210779024 970027454 /nfs/dbraw/zinc/02/74/54/970027454.db2.gz CENRKHMRXITMCU-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM Nc1c2c(nn1-c1cccc([O-])c1Cl)CCC2 ZINC001210844466 970053310 /nfs/dbraw/zinc/05/33/10/970053310.db2.gz IWGISDLVIJCRBC-UHFFFAOYSA-N -1 3 249.701 2.302 20 0 BEADHM COc1nonc1[N-]c1cccc(OC2CC2)c1 ZINC001210859362 970056469 /nfs/dbraw/zinc/05/64/69/970056469.db2.gz SNRPKVJMYWLKJF-UHFFFAOYSA-N -1 3 247.254 2.363 20 0 BEADHM COc1cc(C)ccc1Nc1cnc[n-]c1=O ZINC001211115604 970152914 /nfs/dbraw/zinc/15/29/14/970152914.db2.gz WYPOIYCSDWXMEG-UHFFFAOYSA-N -1 3 231.255 2.243 20 0 BEADHM Nc1ccc2c(cnn2-c2ccc(F)c([O-])c2)c1 ZINC001211216429 970177035 /nfs/dbraw/zinc/17/70/35/970177035.db2.gz CUXFXVURJGHGKZ-UHFFFAOYSA-N -1 3 243.241 2.452 20 0 BEADHM O=C1NCc2c1cccc2-c1ccc(F)c([O-])c1 ZINC001243049514 970207152 /nfs/dbraw/zinc/20/71/52/970207152.db2.gz OXZIBBVYVDZQOZ-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM [O-]c1cc(-c2cnc(N3CCC3)nc2)ccc1F ZINC001243050410 970210717 /nfs/dbraw/zinc/21/07/17/970210717.db2.gz VFMIXXWWZXLAAG-UHFFFAOYSA-N -1 3 245.257 2.198 20 0 BEADHM COc1cccc([N-]c2noc3cccnc23)n1 ZINC001211296422 970222380 /nfs/dbraw/zinc/22/23/80/970222380.db2.gz URGFDVVYBBETLB-UHFFFAOYSA-N -1 3 242.238 2.370 20 0 BEADHM O=c1[n-]cncc1Nc1cc2ccccc2[nH]1 ZINC001211308046 970232969 /nfs/dbraw/zinc/23/29/69/970232969.db2.gz RQGQECXIPIBFQS-UHFFFAOYSA-N -1 3 226.239 2.407 20 0 BEADHM COC(=O)c1ccc(F)cc1[N-]c1ncco1 ZINC001211336442 970237967 /nfs/dbraw/zinc/23/79/67/970237967.db2.gz WGSXALFVTFKSIX-UHFFFAOYSA-N -1 3 236.202 2.344 20 0 BEADHM O=c1cc[nH]cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213377670 970307253 /nfs/dbraw/zinc/30/72/53/970307253.db2.gz WFCGOIPIEWHZMY-UHFFFAOYSA-N -1 3 238.193 2.102 20 0 BEADHM CC(C)[C@H](NC/C(Cl)=C\Cl)C(=O)[O-] ZINC000211388041 970310715 /nfs/dbraw/zinc/31/07/15/970310715.db2.gz IIYUWYIZWIEIPA-ZAXDUSRUSA-N -1 3 226.103 2.004 20 0 BEADHM C[C@H](C(=O)[O-])N1CC2(CCC2)[C@@H]1c1ccco1 ZINC001609642060 970432132 /nfs/dbraw/zinc/43/21/32/970432132.db2.gz BYGUSDSPZQDZCB-KOLCDFICSA-N -1 3 235.283 2.280 20 0 BEADHM Cc1ccc(Nc2ncc(F)cc2[O-])c(CO)c1 ZINC001214453050 970504615 /nfs/dbraw/zinc/50/46/15/970504615.db2.gz RVAPTERNTQQGIV-UHFFFAOYSA-N -1 3 248.257 2.471 20 0 BEADHM COC(=O)c1cncc(-c2ccc([O-])cc2F)c1 ZINC001206051941 970739849 /nfs/dbraw/zinc/73/98/49/970739849.db2.gz SSNWQZPOGRBWAF-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc[nH]1 ZINC001144623604 972895905 /nfs/dbraw/zinc/89/59/05/972895905.db2.gz NXSJZLRQSJQRES-UHFFFAOYSA-N -1 3 234.230 2.041 20 0 BEADHM CC[C@@H](C)NC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148669359 973885434 /nfs/dbraw/zinc/88/54/34/973885434.db2.gz VQIWFKJROBIBLJ-MRVPVSSYSA-N -1 3 235.283 2.123 20 0 BEADHM [O-]c1coc2cc(OC[C@@H]3CCC=CO3)ccc12 ZINC001225341645 974418083 /nfs/dbraw/zinc/41/80/83/974418083.db2.gz CIZCATOMGGSWDT-NSHDSACASA-N -1 3 246.262 2.333 20 0 BEADHM C[C@@H]1COCC[C@H]1Oc1ccc2c([O-])coc2c1 ZINC001225340758 974418865 /nfs/dbraw/zinc/41/88/65/974418865.db2.gz SUPKENJGGRJLDN-NOZJJQNGSA-N -1 3 248.278 2.066 20 0 BEADHM C[C@H](Oc1nc(=O)[n-]cc1C(F)(F)F)C1CC1 ZINC001225579422 974563612 /nfs/dbraw/zinc/56/36/12/974563612.db2.gz LTILFKZJTQYWKQ-YFKPBYRVSA-N -1 3 248.204 2.378 20 0 BEADHM Cc1cnc(=S)[n-]c1O[C@H](C)c1cnccn1 ZINC001225741390 974663273 /nfs/dbraw/zinc/66/32/73/974663273.db2.gz VJCKDYNSNQUIPI-MRVPVSSYSA-N -1 3 248.311 2.004 20 0 BEADHM Cc1cnc(=S)[n-]c1OC1CCSCC1 ZINC001225741763 974664968 /nfs/dbraw/zinc/66/49/68/974664968.db2.gz AUAPQYGSYBRYGY-UHFFFAOYSA-N -1 3 242.369 2.348 20 0 BEADHM Cc1coc(C(=O)[N-]c2nc(C3CC3)no2)c1C ZINC001331269705 974667002 /nfs/dbraw/zinc/66/70/02/974667002.db2.gz WVRKCLMELMEHRY-UHFFFAOYSA-N -1 3 247.254 2.409 20 0 BEADHM CC[C@@H](COC)Oc1cc(C(C)=O)ccc1[O-] ZINC001225997779 974751349 /nfs/dbraw/zinc/75/13/49/974751349.db2.gz HCBYTDVRWLRFJZ-NSHDSACASA-N -1 3 238.283 2.399 20 0 BEADHM CC(=O)c1ccc([O-])c(OC2CN(C(C)C)C2)c1 ZINC001225996973 974758212 /nfs/dbraw/zinc/75/82/12/974758212.db2.gz AFTAXMLSQDINLE-UHFFFAOYSA-N -1 3 249.310 2.066 20 0 BEADHM CO[C@H](C)COc1cc(C(C)=O)ccc1[O-] ZINC001225998839 974759672 /nfs/dbraw/zinc/75/96/72/974759672.db2.gz PQIPCHKIQUUWDT-MRVPVSSYSA-N -1 3 224.256 2.009 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@H](C)CC(C)C ZINC001226070609 974775610 /nfs/dbraw/zinc/77/56/10/974775610.db2.gz BVCNBDHISQBCPH-MRVPVSSYSA-N -1 3 210.277 2.304 20 0 BEADHM Cc1c(=O)[n-]cnc1OC1CCC(F)(F)CC1 ZINC001226071140 974777175 /nfs/dbraw/zinc/77/71/75/974777175.db2.gz MLYTXXYZTDDSOH-UHFFFAOYSA-N -1 3 244.241 2.447 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@H]1CCCC[C@H]1C ZINC001226070903 974777339 /nfs/dbraw/zinc/77/73/39/974777339.db2.gz IHHGFXNTTFLROY-SCZZXKLOSA-N -1 3 222.288 2.448 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@H](C)c1ccco1 ZINC001226075052 974777707 /nfs/dbraw/zinc/77/77/07/974777707.db2.gz FCMJNNIDSNVWRY-MRVPVSSYSA-N -1 3 220.228 2.224 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@H](C)c1cccnc1F ZINC001226074241 974778400 /nfs/dbraw/zinc/77/84/00/974778400.db2.gz AMULUWFOMWZMOH-MRVPVSSYSA-N -1 3 249.245 2.165 20 0 BEADHM Cc1ccc([C@@H](C)Oc2[n-]c(=O)nnc2C)cc1 ZINC001226465533 974918033 /nfs/dbraw/zinc/91/80/33/974918033.db2.gz YAXGTOWZUOTUHD-SNVBAGLBSA-N -1 3 245.282 2.334 20 0 BEADHM CC(=O)c1ccc([O-])c(OC2CC=CC2)c1O ZINC001226479732 974922361 /nfs/dbraw/zinc/92/23/61/974922361.db2.gz SAVWRXLVCMMBFX-UHFFFAOYSA-N -1 3 234.251 2.398 20 0 BEADHM CCc1nc(O[C@@H](C)c2ccccn2)cc(=O)[n-]1 ZINC001226476485 974922587 /nfs/dbraw/zinc/92/25/87/974922587.db2.gz SAJQPXPIMCAOJH-VIFPVBQESA-N -1 3 245.282 2.280 20 0 BEADHM Cc1nc(O[C@H]2CCCC[C@H]2F)cc(=O)[n-]1 ZINC001226510608 974932994 /nfs/dbraw/zinc/93/29/94/974932994.db2.gz DDQGRJRYPHXXEV-BDAKNGLRSA-N -1 3 226.251 2.150 20 0 BEADHM Cc1nc(O[C@@H](C)c2cccnc2)cc(=O)[n-]1 ZINC001226511104 974933336 /nfs/dbraw/zinc/93/33/36/974933336.db2.gz VDZWVKWUMWLWPE-QMMMGPOBSA-N -1 3 231.255 2.026 20 0 BEADHM Cc1nc(O[C@H](C)c2nccs2)cc(=O)[n-]1 ZINC001226512258 974933535 /nfs/dbraw/zinc/93/35/35/974933535.db2.gz OXKOQZNEZSXXPA-ZCFIWIBFSA-N -1 3 237.284 2.087 20 0 BEADHM Cc1nc(O[C@H]2CCC(F)(F)C2)cc(=O)[n-]1 ZINC001226512855 974937277 /nfs/dbraw/zinc/93/72/77/974937277.db2.gz VSWMOZPRJMEYML-ZETCQYMHSA-N -1 3 230.214 2.057 20 0 BEADHM [O-]c1cccc(OC[C@@H]2CCO2)c1Cl ZINC001226711631 975044276 /nfs/dbraw/zinc/04/42/76/975044276.db2.gz KTRGAGPXZNMCEB-ZETCQYMHSA-N -1 3 214.648 2.213 20 0 BEADHM Cc1cc(O[C@@H](C)c2cncnc2)[n-]c(=S)n1 ZINC001226798544 975090973 /nfs/dbraw/zinc/09/09/73/975090973.db2.gz JKCFGICINQEZPZ-QMMMGPOBSA-N -1 3 248.311 2.004 20 0 BEADHM S=c1nccc(OCCOC2CCCC2)[n-]1 ZINC001226938525 975164803 /nfs/dbraw/zinc/16/48/03/975164803.db2.gz ALDBFZUBRDJWLO-UHFFFAOYSA-N -1 3 240.328 2.103 20 0 BEADHM C[C@H](Oc1cc(=O)[n-]cn1)c1ccc(F)cc1 ZINC001226944441 975172400 /nfs/dbraw/zinc/17/24/00/975172400.db2.gz GIQOZUWKITZKTE-QMMMGPOBSA-N -1 3 234.230 2.461 20 0 BEADHM O=c1cc(O[C@H]2CCc3cc(F)ccc32)nc[n-]1 ZINC001226945232 975174024 /nfs/dbraw/zinc/17/40/24/975174024.db2.gz RCCJMBQKJSSKPO-NSHDSACASA-N -1 3 246.241 2.388 20 0 BEADHM O=c1cc(O[C@H]2CCC=CCCC2)nc[n-]1 ZINC001226945722 975176166 /nfs/dbraw/zinc/17/61/66/975176166.db2.gz ZVCLYILOHFRYSF-JTQLQIEISA-N -1 3 220.272 2.450 20 0 BEADHM C[C@@H](Oc1cc(=O)[n-]cn1)c1ccccc1F ZINC001226945102 975176739 /nfs/dbraw/zinc/17/67/39/975176739.db2.gz PWMQDDYBQJOEQV-MRVPVSSYSA-N -1 3 234.230 2.461 20 0 BEADHM C[C@H]1CCCC[C@@H]1Oc1ccc(=O)[n-]n1 ZINC001227093667 975262758 /nfs/dbraw/zinc/26/27/58/975262758.db2.gz PJHGRXQBAPIXBU-IUCAKERBSA-N -1 3 208.261 2.140 20 0 BEADHM O=c1ccc(O[C@H](c2cccnc2)C2CC2)n[n-]1 ZINC001227093832 975269030 /nfs/dbraw/zinc/26/90/30/975269030.db2.gz UHKFQEZKGAPMOW-ZDUSSCGKSA-N -1 3 243.266 2.107 20 0 BEADHM C[C@@H]1CC(Oc2ccc(=O)[n-]n2)C[C@@H](C)C1 ZINC001227095815 975270453 /nfs/dbraw/zinc/27/04/53/975270453.db2.gz VVHQCLCFECOKBV-IUCAKERBSA-N -1 3 222.288 2.386 20 0 BEADHM Cc1ccccc1Nc1cnc[n-]c1=O ZINC001173815767 975575267 /nfs/dbraw/zinc/57/52/67/975575267.db2.gz BSJHSBJDWNHIQY-UHFFFAOYSA-N -1 3 201.229 2.234 20 0 BEADHM C=Cc1c[n-]c(=O)nc1O[C@H](C)C(C)C ZINC001227714238 975639435 /nfs/dbraw/zinc/63/94/35/975639435.db2.gz UUGYCSSVVXAKGA-MRVPVSSYSA-N -1 3 208.261 2.249 20 0 BEADHM COC(=O)c1ccc([O-])c(O[C@@H]2C=CCCC2)n1 ZINC001227820379 975707997 /nfs/dbraw/zinc/70/79/97/975707997.db2.gz STVFVUYHGNMIHH-SECBINFHSA-N -1 3 249.266 2.061 20 0 BEADHM NC(=O)c1ccc(Nc2ccccc2F)cc1[O-] ZINC001173846783 975741653 /nfs/dbraw/zinc/74/16/53/975741653.db2.gz QVTZMISUYVQROL-UHFFFAOYSA-N -1 3 246.241 2.374 20 0 BEADHM CCOc1ccccc1[N-]c1nonc1OC ZINC001173847796 975746819 /nfs/dbraw/zinc/74/68/19/975746819.db2.gz JEFAFIZKEYUCDW-UHFFFAOYSA-N -1 3 235.243 2.221 20 0 BEADHM CCO[C@@H](C)COc1ncc(Cl)cc1[O-] ZINC001227983029 975830089 /nfs/dbraw/zinc/83/00/89/975830089.db2.gz JYSLCHWMNRVGLH-ZETCQYMHSA-N -1 3 231.679 2.244 20 0 BEADHM C[C@@H]1CC[C@@H](Oc2[n-]c(=O)nc3cccnc32)C1 ZINC001228006260 975847417 /nfs/dbraw/zinc/84/74/17/975847417.db2.gz APBVBZQYUWVJQS-RKDXNWHRSA-N -1 3 245.282 2.298 20 0 BEADHM C[C@@H]1CC[C@H](Oc2[n-]c(=O)nc3cccnc32)C1 ZINC001228006255 975847827 /nfs/dbraw/zinc/84/78/27/975847827.db2.gz APBVBZQYUWVJQS-BDAKNGLRSA-N -1 3 245.282 2.298 20 0 BEADHM C[C@H](Oc1[n-]c(=O)nc2cccnc21)C1CCC1 ZINC001228011321 975851401 /nfs/dbraw/zinc/85/14/01/975851401.db2.gz YZTRVIWUTLQUBR-QMMMGPOBSA-N -1 3 245.282 2.298 20 0 BEADHM O=c1[n-]cncc1Nc1ccc2[nH]ccc2c1 ZINC001173940095 976086071 /nfs/dbraw/zinc/08/60/71/976086071.db2.gz GZAGTWJLAFSZOK-UHFFFAOYSA-N -1 3 226.239 2.407 20 0 BEADHM COc1ncccc1Nc1ncc(F)cc1[O-] ZINC001174041648 976253119 /nfs/dbraw/zinc/25/31/19/976253119.db2.gz ZJIJCMRFDWRBLH-UHFFFAOYSA-N -1 3 235.218 2.074 20 0 BEADHM O=c1[n-]cncc1Nc1cncc2ccccc21 ZINC001174100934 976297457 /nfs/dbraw/zinc/29/74/57/976297457.db2.gz PISDSGXFIKYHNG-UHFFFAOYSA-N -1 3 238.250 2.474 20 0 BEADHM Cc1cc(=O)oc2c1ccc([O-])c2OC1CC1 ZINC001228621996 976388007 /nfs/dbraw/zinc/38/80/07/976388007.db2.gz GEWXXEQZWORIFH-UHFFFAOYSA-N -1 3 232.235 2.348 20 0 BEADHM CCCn1cc([N-]c2nnc(CC)s2)cn1 ZINC001174216871 976403749 /nfs/dbraw/zinc/40/37/49/976403749.db2.gz CFTSOVYJZXKSNG-UHFFFAOYSA-N -1 3 237.332 2.451 20 0 BEADHM Cc1n[nH]c(C)c1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001174216729 976405464 /nfs/dbraw/zinc/40/54/64/976405464.db2.gz ZCKYJMDGEGWLAR-UHFFFAOYSA-N -1 3 245.286 2.143 20 0 BEADHM Cc1ccc(Nc2ncc(F)cc2[O-])cn1 ZINC001174281656 976437709 /nfs/dbraw/zinc/43/77/09/976437709.db2.gz IFXWWPKLEPDCGQ-UHFFFAOYSA-N -1 3 219.219 2.373 20 0 BEADHM C[C@H](Oc1nnc(-c2cccnc2)[n-]1)C1CC1 ZINC001228693693 976441674 /nfs/dbraw/zinc/44/16/74/976441674.db2.gz CEZMKDBBFMNCRX-QMMMGPOBSA-N -1 3 230.271 2.044 20 0 BEADHM C[C@H](Oc1nc(-c2cccnc2)n[n-]1)C1CC1 ZINC001228693693 976441684 /nfs/dbraw/zinc/44/16/84/976441684.db2.gz CEZMKDBBFMNCRX-QMMMGPOBSA-N -1 3 230.271 2.044 20 0 BEADHM C[C@H](Oc1n[n-]c(-c2cccnc2)n1)C1CC1 ZINC001228693693 976441697 /nfs/dbraw/zinc/44/16/97/976441697.db2.gz CEZMKDBBFMNCRX-QMMMGPOBSA-N -1 3 230.271 2.044 20 0 BEADHM O=C1CCc2cc([O-])c(OC[C@H]3CCCO3)cc21 ZINC001228854277 976536158 /nfs/dbraw/zinc/53/61/58/976536158.db2.gz QGFULVFQQRQGKN-SNVBAGLBSA-N -1 3 248.278 2.079 20 0 BEADHM O=C1CCc2cc([O-])c(OC3CC3)cc21 ZINC001228854966 976537104 /nfs/dbraw/zinc/53/71/04/976537104.db2.gz ZVZWJSTUBDYLNR-UHFFFAOYSA-N -1 3 204.225 2.062 20 0 BEADHM Cn1cc(Nc2cc(F)c([O-])cc2F)cn1 ZINC001174331593 976538574 /nfs/dbraw/zinc/53/85/74/976538574.db2.gz MKMYYHIEGBOHCU-UHFFFAOYSA-N -1 3 225.198 2.148 20 0 BEADHM Cc1c(Nc2cc(F)c([O-])c(F)c2)cnn1C ZINC001174390666 976654667 /nfs/dbraw/zinc/65/46/67/976654667.db2.gz FIQXDJABGPKASY-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM C[C@@H](CCCCC(=O)[O-])NCc1cscn1 ZINC001334828435 976725577 /nfs/dbraw/zinc/72/55/77/976725577.db2.gz OBIIBUPKMKPZKQ-VIFPVBQESA-N -1 3 242.344 2.266 20 0 BEADHM COc1nonc1[N-]c1cc(C)cc(F)c1 ZINC001174528429 976806319 /nfs/dbraw/zinc/80/63/19/976806319.db2.gz JYJNSQFKPRSBPZ-UHFFFAOYSA-N -1 3 223.207 2.269 20 0 BEADHM Cc1nc(C(=O)[N-]c2conc2C)sc1C ZINC001334963235 976809219 /nfs/dbraw/zinc/80/92/19/976809219.db2.gz VKTTYJVTOKBIPV-UHFFFAOYSA-N -1 3 237.284 2.309 20 0 BEADHM CC(C)O[N-]C(=O)C[C@H](C)c1ccncc1 ZINC001335157326 976869405 /nfs/dbraw/zinc/86/94/05/976869405.db2.gz SQYMZWSALCGSRZ-JTQLQIEISA-N -1 3 222.288 2.031 20 0 BEADHM Cc1cc(O)ccc1Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001174559417 976873537 /nfs/dbraw/zinc/87/35/37/976873537.db2.gz CBLZYMUHCZMDQO-UHFFFAOYSA-N -1 3 249.295 2.229 20 0 BEADHM Cc1nc(O[C@H]2C=CCCC2)c(C)c(=O)[n-]1 ZINC001229685971 976942164 /nfs/dbraw/zinc/94/21/64/976942164.db2.gz PULIHSGXYJHHKX-JTQLQIEISA-N -1 3 220.272 2.287 20 0 BEADHM Cc1nnc([N-]c2ccc(OC(C)C)nc2)o1 ZINC001174762404 976987872 /nfs/dbraw/zinc/98/78/72/976987872.db2.gz FLIUFLURYALIOE-UHFFFAOYSA-N -1 3 234.259 2.304 20 0 BEADHM C[C@H]1CCC[C@H]1Oc1ccccc1-c1nnn[n-]1 ZINC001229955943 977038134 /nfs/dbraw/zinc/03/81/34/977038134.db2.gz BVYLEOCGMAFCED-GXSJLCMTSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H]1CCC[C@H]1Oc1ccccc1-c1nn[n-]n1 ZINC001229955943 977038144 /nfs/dbraw/zinc/03/81/44/977038144.db2.gz BVYLEOCGMAFCED-GXSJLCMTSA-N -1 3 244.298 2.434 20 0 BEADHM Cc1cc(Nc2cc(F)cc(F)c2[O-])n(C)n1 ZINC001174831169 977089967 /nfs/dbraw/zinc/08/99/67/977089967.db2.gz QFAZYWZIDSPQPV-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM Cc1ccc(Nc2cc(=O)[n-]c(C)n2)cc1N ZINC001174933592 977174216 /nfs/dbraw/zinc/17/42/16/977174216.db2.gz QIRUHVLFBSKBQO-UHFFFAOYSA-N -1 3 230.271 2.125 20 0 BEADHM Cc1ccc([O-])c(C(=O)NOc2ccccc2)c1 ZINC000773462039 977272479 /nfs/dbraw/zinc/27/24/79/977272479.db2.gz QNSIIVCNQPUDCR-UHFFFAOYSA-N -1 3 243.262 2.424 20 0 BEADHM C[C@H](Oc1nc(=O)[n-]c2c1SCC2)C1CC1 ZINC001230790809 977336412 /nfs/dbraw/zinc/33/64/12/977336412.db2.gz VENCSAXXSUVUBA-LURJTMIESA-N -1 3 238.312 2.008 20 0 BEADHM CC[C@H](C)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230790644 977336704 /nfs/dbraw/zinc/33/67/04/977336704.db2.gz PJZFZOGWJXQTQT-LURJTMIESA-N -1 3 226.301 2.008 20 0 BEADHM Cc1nn(C)cc1Nc1c(F)ccc([O-])c1F ZINC001175261522 977358348 /nfs/dbraw/zinc/35/83/48/977358348.db2.gz LNACLYYWZVLTLQ-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM COc1cc(Nc2c(F)ccc([O-])c2F)no1 ZINC001175262791 977362585 /nfs/dbraw/zinc/36/25/85/977362585.db2.gz LJCTXHDKWPYWAI-UHFFFAOYSA-N -1 3 242.181 2.411 20 0 BEADHM Nc1cccn1-c1c(F)ccc([O-])c1F ZINC001175265132 977362816 /nfs/dbraw/zinc/36/28/16/977362816.db2.gz CBYGTXXTDHSYCX-UHFFFAOYSA-N -1 3 210.183 2.043 20 0 BEADHM CC(C)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074818 977460645 /nfs/dbraw/zinc/46/06/45/977460645.db2.gz YFPWEBHRUFBIEI-SECBINFHSA-N -1 3 232.287 2.290 20 0 BEADHM Cc1ncc(Nc2cccc3c[nH]nc32)c(=O)[n-]1 ZINC001175636966 977606215 /nfs/dbraw/zinc/60/62/15/977606215.db2.gz NBHLGOICYUAUQV-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM Cc1nc(Nc2cccc3c[nH]nc32)cc(=O)[n-]1 ZINC001175637564 977612886 /nfs/dbraw/zinc/61/28/86/977612886.db2.gz YUVMOKSENIXZFK-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM Cc1cc(=O)[n-]c(NCC[C@@]2(C)CC2(F)F)n1 ZINC001336679735 977848959 /nfs/dbraw/zinc/84/89/59/977848959.db2.gz PETVKTLDWHPETH-JTQLQIEISA-N -1 3 243.257 2.338 20 0 BEADHM O=c1cc(Nc2ncc[nH]2)[n-]n1-c1ccccc1 ZINC001176081860 977877301 /nfs/dbraw/zinc/87/73/01/977877301.db2.gz HOGFTYHHDSEFIP-UHFFFAOYSA-N -1 3 241.254 2.045 20 0 BEADHM Cc1nonc1[N-]c1cncc(C2CC2)c1 ZINC001176282779 978010435 /nfs/dbraw/zinc/01/04/35/978010435.db2.gz UFQRNGCWDXFBCL-UHFFFAOYSA-N -1 3 216.244 2.394 20 0 BEADHM c1cc([N-]c2nonc2C2CC2)cc2nonc12 ZINC001176328620 978025009 /nfs/dbraw/zinc/02/50/09/978025009.db2.gz IHDRXZIRLTZUKY-UHFFFAOYSA-N -1 3 243.226 2.227 20 0 BEADHM Cc1nc(Nc2ccc(O)cc2F)cc(=O)[n-]1 ZINC001176410318 978078444 /nfs/dbraw/zinc/07/84/44/978078444.db2.gz QJLCIWBIPUTMST-UHFFFAOYSA-N -1 3 235.218 2.079 20 0 BEADHM Cc1cc(=O)[n-]c(N(C)[C@H](C)c2ccccn2)n1 ZINC001337008954 978124761 /nfs/dbraw/zinc/12/47/61/978124761.db2.gz JBACCJLYIAIYGR-SNVBAGLBSA-N -1 3 244.298 2.083 20 0 BEADHM Cc1cc(=O)[n-]c(NCCSC(C)(C)C)n1 ZINC001337026555 978133981 /nfs/dbraw/zinc/13/39/81/978133981.db2.gz CSQFSKIQOGDWBL-UHFFFAOYSA-N -1 3 241.360 2.434 20 0 BEADHM O=c1[n-]cncc1Nc1cc(O)cc(Cl)c1 ZINC001176623822 978139807 /nfs/dbraw/zinc/13/98/07/978139807.db2.gz HLTTZBKGBHRWQX-UHFFFAOYSA-N -1 3 237.646 2.285 20 0 BEADHM CC[C@H](F)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001337228663 978231641 /nfs/dbraw/zinc/23/16/41/978231641.db2.gz OATHDVQUBSZMEN-VIFPVBQESA-N -1 3 239.246 2.281 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCC(CCF)CC2)n1 ZINC001337235597 978236127 /nfs/dbraw/zinc/23/61/27/978236127.db2.gz BOCBEFSSIAUVHZ-UHFFFAOYSA-N -1 3 239.294 2.067 20 0 BEADHM CSCCO[N-]C(=O)C12CCC(CC1)CC2 ZINC001337257497 978249305 /nfs/dbraw/zinc/24/93/05/978249305.db2.gz CETKXDFPRCCTIF-UHFFFAOYSA-N -1 3 243.372 2.368 20 0 BEADHM O=C(CCn1cccc1)Nc1ccc(F)c([O-])c1 ZINC001176935661 978250674 /nfs/dbraw/zinc/25/06/74/978250674.db2.gz ZOTXEDXJXYMMMT-UHFFFAOYSA-N -1 3 248.257 2.362 20 0 BEADHM C[C@@H]1CCN(Cc2cc(Cl)ncc2[O-])C1 ZINC001233032382 978412218 /nfs/dbraw/zinc/41/22/18/978412218.db2.gz JGMUCVFYQLOLJN-MRVPVSSYSA-N -1 3 226.707 2.282 20 0 BEADHM [O-]c1cccc(CN2CC[C@@H](F)C2)c1F ZINC001233050613 978443441 /nfs/dbraw/zinc/44/34/41/978443441.db2.gz RTBLEIMAKVNNOA-SECBINFHSA-N -1 3 213.227 2.075 20 0 BEADHM [O-]c1cccc(CN2CCC[C@H](F)C2)c1F ZINC001233052688 978449172 /nfs/dbraw/zinc/44/91/72/978449172.db2.gz SPJUJTYMDRZAKJ-JTQLQIEISA-N -1 3 227.254 2.465 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCC[C@H]2C2CCC2)n1 ZINC001337768433 978491508 /nfs/dbraw/zinc/49/15/08/978491508.db2.gz HPBCNJRANKDSBW-NSHDSACASA-N -1 3 233.315 2.260 20 0 BEADHM Cc1cc(=O)[n-]c(N2CC(C)(C)C[C@H]2C)n1 ZINC001337910772 978562931 /nfs/dbraw/zinc/56/29/31/978562931.db2.gz UNXJJNYEBOZYCH-SECBINFHSA-N -1 3 221.304 2.115 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H](C)CC(F)(F)F)n1 ZINC001337932680 978569568 /nfs/dbraw/zinc/56/95/68/978569568.db2.gz RZMAULAMJBZTIU-LURJTMIESA-N -1 3 235.209 2.243 20 0 BEADHM [O-]c1ccc(F)c(CN2CCCCO2)c1F ZINC001233393220 978597187 /nfs/dbraw/zinc/59/71/87/978597187.db2.gz JAUHUCAKMMOMGH-UHFFFAOYSA-N -1 3 229.226 2.198 20 0 BEADHM Cc1c(C(=O)[O-])cc(CN2CC[C@@H]2C2CC2)n1C ZINC001599986273 978660198 /nfs/dbraw/zinc/66/01/98/978660198.db2.gz ZNGDSJSUTIGMQT-CYBMUJFWSA-N -1 3 248.326 2.016 20 0 BEADHM CC(C)OCCOc1ccc2occ([O-])c2c1 ZINC001233678052 978671326 /nfs/dbraw/zinc/67/13/26/978671326.db2.gz RQRMLZHROAUUQB-UHFFFAOYSA-N -1 3 236.267 2.066 20 0 BEADHM C[C@@H]1COCC[C@@H]1Oc1ccc2occ([O-])c2c1 ZINC001233679214 978671846 /nfs/dbraw/zinc/67/18/46/978671846.db2.gz AGVODQIECDHOCR-RNCFNFMXSA-N -1 3 248.278 2.066 20 0 BEADHM CC[C@H](COc1ccc2occ([O-])c2c1)OC ZINC001233681342 978672925 /nfs/dbraw/zinc/67/29/25/978672925.db2.gz VGNVIMPCRLYUAV-SECBINFHSA-N -1 3 236.267 2.066 20 0 BEADHM Cc1cc(CN2CCCC[C@@H]2C)[nH]c1C(=O)[O-] ZINC001600196150 978678926 /nfs/dbraw/zinc/67/89/26/978678926.db2.gz TUNZCDDLQJRSKR-JTQLQIEISA-N -1 3 236.315 2.396 20 0 BEADHM CCOC[C@H](C)Oc1cccc([O-])c1F ZINC001233870696 978719586 /nfs/dbraw/zinc/71/95/86/978719586.db2.gz HMUQCYQUBBPILO-QMMMGPOBSA-N -1 3 214.236 2.335 20 0 BEADHM CCOC(=O)[C@@H](CC)Oc1cccc([O-])c1F ZINC001233871394 978719825 /nfs/dbraw/zinc/71/98/25/978719825.db2.gz MZJWDAVWQMJISW-SECBINFHSA-N -1 3 242.246 2.252 20 0 BEADHM C=CC(=O)OC[C@H](C)Oc1cccc([O-])c1F ZINC001233872497 978720441 /nfs/dbraw/zinc/72/04/41/978720441.db2.gz VDHGNQXFPNKPJP-QMMMGPOBSA-N -1 3 240.230 2.028 20 0 BEADHM C[C@H]1C[C@@H](Oc2nc3c(cccc3[O-])[nH]2)CCO1 ZINC001234448696 978838318 /nfs/dbraw/zinc/83/83/18/978838318.db2.gz XQKJRDURTIJQAK-IUCAKERBSA-N -1 3 248.282 2.215 20 0 BEADHM CCC(=O)[C@H](CC)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234447463 978838625 /nfs/dbraw/zinc/83/86/25/978838625.db2.gz MXCJVEYNDGEZJD-NSHDSACASA-N -1 3 248.282 2.405 20 0 BEADHM C[C@@H]1C[C@H](Oc2nc3c(cccc3[O-])[nH]2)CCO1 ZINC001234448698 978839145 /nfs/dbraw/zinc/83/91/45/978839145.db2.gz XQKJRDURTIJQAK-RKDXNWHRSA-N -1 3 248.282 2.215 20 0 BEADHM [O-]c1cc(Cl)cc(F)c1OC[C@@H]1CCO1 ZINC001234448177 978839249 /nfs/dbraw/zinc/83/92/49/978839249.db2.gz QDSRSPPGQPNBJU-ZETCQYMHSA-N -1 3 232.638 2.352 20 0 BEADHM COC(=O)[C@@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234448432 978839831 /nfs/dbraw/zinc/83/98/31/978839831.db2.gz RXRWYRYVYFHBIJ-RXMQYKEDSA-N -1 3 248.637 2.125 20 0 BEADHM CCC(=O)[C@@H](CC)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234447461 978840095 /nfs/dbraw/zinc/84/00/95/978840095.db2.gz MXCJVEYNDGEZJD-LLVKDONJSA-N -1 3 248.282 2.405 20 0 BEADHM O=C([O-])/C=C\c1ccc(CN2CC[C@H]2C2CC2)o1 ZINC001601880375 978860364 /nfs/dbraw/zinc/86/03/64/978860364.db2.gz XAAVDYQTXZTYRU-SZZPACECSA-N -1 3 247.294 2.362 20 0 BEADHM CC(C)(C(=O)Nc1ncccc1[O-])C(F)(F)F ZINC001180444883 978881068 /nfs/dbraw/zinc/88/10/68/978881068.db2.gz KVLOLGVZLHCJIA-UHFFFAOYSA-N -1 3 248.204 2.314 20 0 BEADHM CCOC[C@H](C)Oc1nc2ccsc2[n-]1 ZINC001234846455 978911400 /nfs/dbraw/zinc/91/14/00/978911400.db2.gz CEEVUROMRGMAPD-ZETCQYMHSA-N -1 3 226.301 2.428 20 0 BEADHM CCOC[C@H](C)Oc1nc2sccc2[n-]1 ZINC001234846455 978911405 /nfs/dbraw/zinc/91/14/05/978911405.db2.gz CEEVUROMRGMAPD-ZETCQYMHSA-N -1 3 226.301 2.428 20 0 BEADHM CC[C@@H](COC)Oc1nc2ccsc2[n-]1 ZINC001234847797 978914836 /nfs/dbraw/zinc/91/48/36/978914836.db2.gz LQEODMQOJCVBHL-ZETCQYMHSA-N -1 3 226.301 2.428 20 0 BEADHM CC[C@@H](COC)Oc1nc2sccc2[n-]1 ZINC001234847797 978914838 /nfs/dbraw/zinc/91/48/38/978914838.db2.gz LQEODMQOJCVBHL-ZETCQYMHSA-N -1 3 226.301 2.428 20 0 BEADHM c1cc2nc(OC3CC4(COC4)C3)[n-]c2s1 ZINC001234849175 978916007 /nfs/dbraw/zinc/91/60/07/978916007.db2.gz ZJJUCSNVXRNMKV-UHFFFAOYSA-N -1 3 236.296 2.182 20 0 BEADHM c1cc2[n-]c(OC3CC4(COC4)C3)nc2s1 ZINC001234849175 978916009 /nfs/dbraw/zinc/91/60/09/978916009.db2.gz ZJJUCSNVXRNMKV-UHFFFAOYSA-N -1 3 236.296 2.182 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@H]2CCS[C@@H](C)C2)n1 ZINC001339827581 978920572 /nfs/dbraw/zinc/92/05/72/978920572.db2.gz BEKDZYDYILYTPW-IUCAKERBSA-N -1 3 239.344 2.187 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@]23C[C@H]2CCC3)n1 ZINC001339828126 978920872 /nfs/dbraw/zinc/92/08/72/978920872.db2.gz FNEKGQNPHSKGGC-SKDRFNHKSA-N -1 3 219.288 2.093 20 0 BEADHM Nc1ccnc(-c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001235029322 978956688 /nfs/dbraw/zinc/95/66/88/978956688.db2.gz QLZNLEIXUDESBO-ZZXKWVIFSA-N -1 3 240.262 2.429 20 0 BEADHM [O-]c1cc(Cl)cc(-c2ncc3nc[nH]c3n2)c1 ZINC001235899026 979190120 /nfs/dbraw/zinc/19/01/20/979190120.db2.gz ANEDPXATGKSDDP-UHFFFAOYSA-N -1 3 246.657 2.331 20 0 BEADHM Nc1cnc(-c2cc([O-])cc(Cl)c2)cn1 ZINC001235903590 979196085 /nfs/dbraw/zinc/19/60/85/979196085.db2.gz HVMSSQGSOZOSFN-UHFFFAOYSA-N -1 3 221.647 2.085 20 0 BEADHM C=C/C=C\CCn1cc(C)c(-c2nnn[n-]2)c1 ZINC001602807391 979254229 /nfs/dbraw/zinc/25/42/29/979254229.db2.gz LAQPDHAZETWPCA-PLNGDYQASA-N -1 3 229.287 2.109 20 0 BEADHM C=C/C=C\CCn1cc(C)c(-c2nn[n-]n2)c1 ZINC001602807391 979254241 /nfs/dbraw/zinc/25/42/41/979254241.db2.gz LAQPDHAZETWPCA-PLNGDYQASA-N -1 3 229.287 2.109 20 0 BEADHM Cc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)c(C)n1 ZINC001203368310 979323899 /nfs/dbraw/zinc/32/38/99/979323899.db2.gz XRKSZMQJNVSMBX-UHFFFAOYSA-N -1 3 248.311 2.226 20 0 BEADHM CCC1(CC)C[C@H]1C(=O)NCc1ncccc1[O-] ZINC001181889973 979358431 /nfs/dbraw/zinc/35/84/31/979358431.db2.gz XSSYDCYKFCCAFO-JTQLQIEISA-N -1 3 248.326 2.230 20 0 BEADHM Cc1ccc(Nc2cnc(C)[n-]c2=O)c(C)n1 ZINC001203369366 979417273 /nfs/dbraw/zinc/41/72/73/979417273.db2.gz PKABRQUMECLWQY-UHFFFAOYSA-N -1 3 230.271 2.246 20 0 BEADHM CC(C)CCNc1cc(F)ccc1-c1nnn[n-]1 ZINC001603283168 979427972 /nfs/dbraw/zinc/42/79/72/979427972.db2.gz KJYQXZJBACVZQE-UHFFFAOYSA-N -1 3 249.293 2.464 20 0 BEADHM CC(C)CCNc1cc(F)ccc1-c1nn[n-]n1 ZINC001603283168 979427980 /nfs/dbraw/zinc/42/79/80/979427980.db2.gz KJYQXZJBACVZQE-UHFFFAOYSA-N -1 3 249.293 2.464 20 0 BEADHM CC(C)(C)C1CN(Cc2ccoc2C(=O)[O-])C1 ZINC001603317356 979435673 /nfs/dbraw/zinc/43/56/73/979435673.db2.gz NEXUAWOCXBORMX-UHFFFAOYSA-N -1 3 237.299 2.456 20 0 BEADHM CCC(C)(C)CCn1ccc(-c2nnn[n-]2)c1 ZINC001603982118 979552776 /nfs/dbraw/zinc/55/27/76/979552776.db2.gz VQXMUIHMWATNHS-UHFFFAOYSA-N -1 3 233.319 2.495 20 0 BEADHM CCC(C)(C)CCn1ccc(-c2nn[n-]n2)c1 ZINC001603982118 979552788 /nfs/dbraw/zinc/55/27/88/979552788.db2.gz VQXMUIHMWATNHS-UHFFFAOYSA-N -1 3 233.319 2.495 20 0 BEADHM CC[C@H](C)Nc1cc(F)ccc1-c1nnn[n-]1 ZINC001604007579 979555957 /nfs/dbraw/zinc/55/59/57/979555957.db2.gz PIGNDAXVEOKKSA-ZETCQYMHSA-N -1 3 235.266 2.216 20 0 BEADHM CC[C@H](C)Nc1cc(F)ccc1-c1nn[n-]n1 ZINC001604007579 979555966 /nfs/dbraw/zinc/55/59/66/979555966.db2.gz PIGNDAXVEOKKSA-ZETCQYMHSA-N -1 3 235.266 2.216 20 0 BEADHM CCCCOc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001604188961 979595091 /nfs/dbraw/zinc/59/50/91/979595091.db2.gz DXVTVYHRJUNDKU-UHFFFAOYSA-N -1 3 236.250 2.185 20 0 BEADHM CCCCOc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001604188961 979595100 /nfs/dbraw/zinc/59/51/00/979595100.db2.gz DXVTVYHRJUNDKU-UHFFFAOYSA-N -1 3 236.250 2.185 20 0 BEADHM O=C([N-]c1cc(C2CCCC2)no1)C(=O)C1CC1 ZINC001182662302 979608227 /nfs/dbraw/zinc/60/82/27/979608227.db2.gz HUMFBPWIEXFBIO-UHFFFAOYSA-N -1 3 248.282 2.250 20 0 BEADHM CC1(C)CN(CCCC(=O)[O-])[C@H]1c1ccncc1 ZINC001604545278 979673557 /nfs/dbraw/zinc/67/35/57/979673557.db2.gz XJGJERUSNWTSTB-ZDUSSCGKSA-N -1 3 248.326 2.329 20 0 BEADHM [O-]c1cc(CN2CCC2)ccc1Br ZINC001236691613 979691703 /nfs/dbraw/zinc/69/17/03/979691703.db2.gz IMFLXBDMZUIVEG-UHFFFAOYSA-N -1 3 242.116 2.360 20 0 BEADHM [O-]c1cc(CN2CCSCC2)ccc1F ZINC001236699574 979696581 /nfs/dbraw/zinc/69/65/81/979696581.db2.gz QJHBAYDCEBBLMF-UHFFFAOYSA-N -1 3 227.304 2.080 20 0 BEADHM C[C@@H]1CC(=O)CCN1Cc1ccc(F)c([O-])c1 ZINC001236701868 979699555 /nfs/dbraw/zinc/69/95/55/979699555.db2.gz HQIGDTOLXPJSLE-SECBINFHSA-N -1 3 237.274 2.085 20 0 BEADHM CC(C)OC1CN(Cc2ccc(F)c([O-])c2)C1 ZINC001236706914 979704186 /nfs/dbraw/zinc/70/41/86/979704186.db2.gz AWNKOYDSWRJJNO-UHFFFAOYSA-N -1 3 239.290 2.141 20 0 BEADHM [O-]c1cc(CN2CC(C(F)F)C2)ccc1F ZINC001236712678 979704596 /nfs/dbraw/zinc/70/45/96/979704596.db2.gz HEXIGJHXINISAO-UHFFFAOYSA-N -1 3 231.217 2.228 20 0 BEADHM CSCSc1ccccc1-c1nnn[n-]1 ZINC001605376879 979863746 /nfs/dbraw/zinc/86/37/46/979863746.db2.gz UHKVOZQRXCDNFE-UHFFFAOYSA-N -1 3 238.341 2.279 20 0 BEADHM CN(CCCF)Cc1ccc([O-])c(F)c1F ZINC001183897980 979899578 /nfs/dbraw/zinc/89/95/78/979899578.db2.gz OMECETFEFKFIFW-UHFFFAOYSA-N -1 3 233.233 2.462 20 0 BEADHM Cc1cc(F)c(-c2nnn[n-]2)c(NC2(C)CC2)c1 ZINC001605672854 979907167 /nfs/dbraw/zinc/90/71/67/979907167.db2.gz QPOPJLUZDFNGJE-UHFFFAOYSA-N -1 3 247.277 2.279 20 0 BEADHM Cc1cc(F)c(-c2nn[n-]n2)c(NC2(C)CC2)c1 ZINC001605672854 979907175 /nfs/dbraw/zinc/90/71/75/979907175.db2.gz QPOPJLUZDFNGJE-UHFFFAOYSA-N -1 3 247.277 2.279 20 0 BEADHM c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC12CCC2 ZINC001607115395 980081669 /nfs/dbraw/zinc/08/16/69/980081669.db2.gz OWYPGQVLRLMYOH-LLVKDONJSA-N -1 3 241.298 2.221 20 0 BEADHM Cc1ccc(C)c(C(=O)Nc2cncc([O-])c2)n1 ZINC001184578511 980107020 /nfs/dbraw/zinc/10/70/20/980107020.db2.gz YUEYXJFOLPWUBO-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM Cc1cc(C)c(CN[C@@H](CF)C(=O)[O-])cc1C ZINC001607619874 980118144 /nfs/dbraw/zinc/11/81/44/980118144.db2.gz KQDDWQBFWLPSLP-LBPRGKRZSA-N -1 3 239.290 2.124 20 0 BEADHM CC1(CC(=O)Nc2ncccc2[O-])CCC1 ZINC001185091070 980165980 /nfs/dbraw/zinc/16/59/80/980165980.db2.gz CMUTTZDWHLVCNG-UHFFFAOYSA-N -1 3 220.272 2.306 20 0 BEADHM Cc1noc(C)c1NC(=O)Nc1cncc([O-])c1 ZINC001185135850 980182888 /nfs/dbraw/zinc/18/28/88/980182888.db2.gz KFKBFANGWUPTSQ-UHFFFAOYSA-N -1 3 248.242 2.036 20 0 BEADHM Cc1nc(NC(=O)[C@H]2CCC(C)(C)C2)cc(=O)[n-]1 ZINC001185155909 980194217 /nfs/dbraw/zinc/19/42/17/980194217.db2.gz KLYRYWOSRNQKMJ-VIFPVBQESA-N -1 3 249.314 2.255 20 0 BEADHM O=S(=O)([N-]c1cc(F)cc(F)c1)C1CCC1 ZINC001188096971 980592680 /nfs/dbraw/zinc/59/26/80/980592680.db2.gz BNEAFMRPYVLPMZ-UHFFFAOYSA-N -1 3 247.266 2.259 20 0 BEADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc[nH]1 ZINC001188574263 980670529 /nfs/dbraw/zinc/67/05/29/980670529.db2.gz RSCHYNWXGCKIBV-UHFFFAOYSA-N -1 3 220.203 2.112 20 0 BEADHM O=c1cc(Nc2cnoc2)[n-]n1-c1ccccc1 ZINC001203234274 980780984 /nfs/dbraw/zinc/78/09/84/980780984.db2.gz QFYVTWLJQNIDHG-UHFFFAOYSA-N -1 3 242.238 2.310 20 0 BEADHM Fc1cc(-c2ccncc2)ccc1-c1nnn[n-]1 ZINC001239611068 980807789 /nfs/dbraw/zinc/80/77/89/980807789.db2.gz JMNABHUUMBVKLK-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1cc(-c2ccncc2)ccc1-c1nn[n-]n1 ZINC001239611068 980807791 /nfs/dbraw/zinc/80/77/91/980807791.db2.gz JMNABHUUMBVKLK-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Cc1cc(Cc2ccc(F)c([O-])c2)on1 ZINC001250364170 980862207 /nfs/dbraw/zinc/86/22/07/980862207.db2.gz HIUWKTGIPBEEDU-UHFFFAOYSA-N -1 3 207.204 2.419 20 0 BEADHM CCCCNC(=O)Nc1ncc([O-])cc1Cl ZINC001190591279 980894573 /nfs/dbraw/zinc/89/45/73/980894573.db2.gz HORCTHQINFLPRY-UHFFFAOYSA-N -1 3 243.694 2.362 20 0 BEADHM Cc1cc(O)ccc1CC(=O)[N-]OCC1CCC1 ZINC001347335398 981051145 /nfs/dbraw/zinc/05/11/45/981051145.db2.gz UGLWLKLAJAHPCI-UHFFFAOYSA-N -1 3 249.310 2.091 20 0 BEADHM Cc1ccncc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001239974034 981076374 /nfs/dbraw/zinc/07/63/74/981076374.db2.gz GGXVBNUTAFDKTB-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1ccncc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001239974034 981076380 /nfs/dbraw/zinc/07/63/80/981076380.db2.gz GGXVBNUTAFDKTB-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM CC(C)(C)c1ccc(C(=O)NC=N)c([O-])c1 ZINC001192335359 981145187 /nfs/dbraw/zinc/14/51/87/981145187.db2.gz HGTJNGRAKSVJLI-UHFFFAOYSA-N -1 3 220.272 2.027 20 0 BEADHM CCCC[C@H](C)NC(=O)Nc1cncc([O-])c1 ZINC001193027879 981229876 /nfs/dbraw/zinc/22/98/76/981229876.db2.gz KQBHJGPEUJIHJV-VIFPVBQESA-N -1 3 237.303 2.487 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@@H]2CCCCS2)n1 ZINC001348083409 981276413 /nfs/dbraw/zinc/27/64/13/981276413.db2.gz FMVLSRJDHQRMKO-VIFPVBQESA-N -1 3 239.344 2.188 20 0 BEADHM CC/C=C/CN[C@H](C)c1cncc(C(=O)[O-])c1 ZINC001595520455 981336023 /nfs/dbraw/zinc/33/60/23/981336023.db2.gz GHDKHIZYMMNNNW-ORAHPGNNSA-N -1 3 234.299 2.397 20 0 BEADHM CC/C=C\CNCc1ccccc1OCC(=O)[O-] ZINC001595520983 981338270 /nfs/dbraw/zinc/33/82/70/981338270.db2.gz MGMUSRIXODUDOB-UTCJRWHESA-N -1 3 249.310 2.206 20 0 BEADHM Cc1cc(O)cc([O-])c1C(=O)N[C@@H]1CC12CCC2 ZINC001193946727 981533161 /nfs/dbraw/zinc/53/31/61/981533161.db2.gz ZCFRLSOFIJLZLI-LLVKDONJSA-N -1 3 247.294 2.079 20 0 BEADHM CC(C)n1nccc(-c2cc(F)ccc2[O-])c1=O ZINC001240697242 981612501 /nfs/dbraw/zinc/61/25/01/981612501.db2.gz AVPGPDWREAOFHZ-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM NC(=S)c1ccnc(-c2ccc([O-])c(F)c2)c1 ZINC001240782470 981820812 /nfs/dbraw/zinc/82/08/12/981820812.db2.gz DBVNLPWMBPLLOT-UHFFFAOYSA-N -1 3 248.282 2.228 20 0 BEADHM Cc1cc(-c2ccc([O-])c(F)c2)ncn1 ZINC001240782892 981823207 /nfs/dbraw/zinc/82/32/07/981823207.db2.gz GFGGBJWTIWBACO-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM [O-]c1ccc(-c2cnc(F)nc2)cc1F ZINC001240785851 981829627 /nfs/dbraw/zinc/82/96/27/981829627.db2.gz QKQSXBAQDJCZCL-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM [O-]c1ccc(-c2cn3ccnc3cn2)cc1F ZINC001240787056 981832537 /nfs/dbraw/zinc/83/25/37/981832537.db2.gz IZWADUAISFNIGL-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cn1nnc2ccc(-c3ccc([O-])c(F)c3)cc21 ZINC001240787180 981832849 /nfs/dbraw/zinc/83/28/49/981832849.db2.gz PRMNEMFUVNLUFL-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM O=C1Cc2c(nccc2-c2ccc([O-])c(F)c2)N1 ZINC001240787356 981833192 /nfs/dbraw/zinc/83/31/92/981833192.db2.gz ZQVKGJHAWOHUMS-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM Cn1ccc2cc(-c3ccc(=S)[n-]n3)cnc21 ZINC001240828670 981865542 /nfs/dbraw/zinc/86/55/42/981865542.db2.gz PAEQSLJFALYJKV-UHFFFAOYSA-N -1 3 242.307 2.319 20 0 BEADHM CC[C@H](C)COC(=O)Nc1cc(=O)[n-]c(C)n1 ZINC001194763245 981891672 /nfs/dbraw/zinc/89/16/72/981891672.db2.gz KKKQGLDUXMAHOC-ZETCQYMHSA-N -1 3 239.275 2.085 20 0 BEADHM Cc1nocc1[N-]C(=O)c1cc2ncccc2o1 ZINC001586345785 981989204 /nfs/dbraw/zinc/98/92/04/981989204.db2.gz VQZPWFGFCBAEOE-UHFFFAOYSA-N -1 3 243.222 2.377 20 0 BEADHM Cc1cc(C(=O)[N-]c2cc(C(C)C)on2)no1 ZINC001586722133 982014048 /nfs/dbraw/zinc/01/40/48/982014048.db2.gz FDAABVSFNVCYQN-UHFFFAOYSA-N -1 3 235.243 2.347 20 0 BEADHM CC[C@H](C)OC(=O)Nc1cncc([O-])c1 ZINC001195075660 982053474 /nfs/dbraw/zinc/05/34/74/982053474.db2.gz DLXJRGRVOBQPBQ-ZETCQYMHSA-N -1 3 210.233 2.134 20 0 BEADHM CC(=O)Nc1ccnc(-c2ccccc2[O-])c1 ZINC001241002256 982084567 /nfs/dbraw/zinc/08/45/67/982084567.db2.gz YCFQLZYIJODBBU-UHFFFAOYSA-N -1 3 228.251 2.413 20 0 BEADHM COC(=O)c1cc(-c2ccccc2[O-])ncc1F ZINC001241002919 982085085 /nfs/dbraw/zinc/08/50/85/982085085.db2.gz CQTYLZVWMCNVAI-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM [O-]c1ccccc1-c1ccc2nccnc2n1 ZINC001241001849 982087260 /nfs/dbraw/zinc/08/72/60/982087260.db2.gz KFIIKDDARWQWGZ-UHFFFAOYSA-N -1 3 223.235 2.397 20 0 BEADHM COc1cc(C)c(-c2ccccc2[O-])nn1 ZINC001241007638 982094730 /nfs/dbraw/zinc/09/47/30/982094730.db2.gz GCKBUZCWQKAMCG-UHFFFAOYSA-N -1 3 216.240 2.166 20 0 BEADHM [O-]c1ccccc1-c1nccnc1OC(F)F ZINC001241009794 982102735 /nfs/dbraw/zinc/10/27/35/982102735.db2.gz XUBKDGFFGALVIO-UHFFFAOYSA-N -1 3 238.193 2.451 20 0 BEADHM CON(C(=O)c1cc([O-])ccc1Cl)C(C)C ZINC001350923826 982123094 /nfs/dbraw/zinc/12/30/94/982123094.db2.gz MPWHVQSWDWNNGH-UHFFFAOYSA-N -1 3 243.690 2.458 20 0 BEADHM Cc1ccc(-c2ncnn3cccc23)c([O-])c1 ZINC001241043163 982144423 /nfs/dbraw/zinc/14/44/23/982144423.db2.gz ITNITMIZUAZXPE-UHFFFAOYSA-N -1 3 225.251 2.410 20 0 BEADHM C1=CCC(CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588389475 982166584 /nfs/dbraw/zinc/16/65/84/982166584.db2.gz UYFMGYKTPQHBGS-UHFFFAOYSA-N -1 3 241.298 2.245 20 0 BEADHM NCc1cccc(-c2ccc(C(=O)[O-])c(F)c2)n1 ZINC001241183264 982331429 /nfs/dbraw/zinc/33/14/29/982331429.db2.gz OIFVDAPSCPQKTM-UHFFFAOYSA-N -1 3 246.241 2.045 20 0 BEADHM Nc1ccc(-c2cc([O-])cc(F)c2)nc1 ZINC001241257336 982394753 /nfs/dbraw/zinc/39/47/53/982394753.db2.gz JBZXDMUGZGZPRZ-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM COCc1cc(-c2cc([O-])cc(F)c2)ncn1 ZINC001241256496 982394873 /nfs/dbraw/zinc/39/48/73/982394873.db2.gz WXIAPANAFQNUJK-UHFFFAOYSA-N -1 3 234.230 2.135 20 0 BEADHM Nc1cccc(-c2cc([O-])cc(F)c2)n1 ZINC001241257587 982395470 /nfs/dbraw/zinc/39/54/70/982395470.db2.gz MHRQSJCTWGBYDZ-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM Cc1nccnc1-c1cc([O-])cc(F)c1 ZINC001241257422 982396311 /nfs/dbraw/zinc/39/63/11/982396311.db2.gz JZXIYKCUMBULFU-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Cn1c(=O)cccc1-c1c(F)ccc([O-])c1F ZINC001241293532 982403679 /nfs/dbraw/zinc/40/36/79/982403679.db2.gz IYMJLRPMNUGEAI-UHFFFAOYSA-N -1 3 237.205 2.036 20 0 BEADHM O=C1Cc2c(cncc2-c2cc([O-])cc(F)c2)N1 ZINC001241276967 982408978 /nfs/dbraw/zinc/40/89/78/982408978.db2.gz FCAFSRGRTZYARS-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM Cn1cc(-c2cc([O-])cc(F)c2)cc(F)c1=O ZINC001241280079 982415576 /nfs/dbraw/zinc/41/55/76/982415576.db2.gz BXTSOONUERARIZ-UHFFFAOYSA-N -1 3 237.205 2.036 20 0 BEADHM Cn1cncc1-c1c(F)ccc([O-])c1F ZINC001241290614 982424445 /nfs/dbraw/zinc/42/44/45/982424445.db2.gz BRRZGSQIIOUAEC-UHFFFAOYSA-N -1 3 210.183 2.071 20 0 BEADHM S=c1ccc(-c2ccc3c(c2)OCCN3)n[n-]1 ZINC001241447951 982595963 /nfs/dbraw/zinc/59/59/63/982595963.db2.gz YYYFNSUEUHPOHM-UHFFFAOYSA-N -1 3 245.307 2.237 20 0 BEADHM Cc1ccc(-c2cncs2)cc1-c1nnn[n-]1 ZINC001241500509 982659632 /nfs/dbraw/zinc/65/96/32/982659632.db2.gz OMRJYRLSAZWROA-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM Cc1ccc(-c2cncs2)cc1-c1nn[n-]n1 ZINC001241500509 982659636 /nfs/dbraw/zinc/65/96/36/982659636.db2.gz OMRJYRLSAZWROA-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM C=CS(=O)(=O)[N-]c1csc2ncccc12 ZINC001198569802 982762839 /nfs/dbraw/zinc/76/28/39/982762839.db2.gz MNWYODMSVLBVDG-UHFFFAOYSA-N -1 3 240.309 2.182 20 0 BEADHM CC(C)CCSc1cc(-c2nnn[n-]2)ccn1 ZINC001589610373 982845517 /nfs/dbraw/zinc/84/55/17/982845517.db2.gz ZDXFWNUEJMAMDI-UHFFFAOYSA-N -1 3 249.343 2.400 20 0 BEADHM CC(C)CCSc1cc(-c2nn[n-]n2)ccn1 ZINC001589610373 982845522 /nfs/dbraw/zinc/84/55/22/982845522.db2.gz ZDXFWNUEJMAMDI-UHFFFAOYSA-N -1 3 249.343 2.400 20 0 BEADHM CC(C)CNc1cc(F)ccc1-c1nnn[n-]1 ZINC001589635724 982852566 /nfs/dbraw/zinc/85/25/66/982852566.db2.gz BOALHIWABXUDGP-UHFFFAOYSA-N -1 3 235.266 2.074 20 0 BEADHM CC(C)CNc1cc(F)ccc1-c1nn[n-]n1 ZINC001589635724 982852571 /nfs/dbraw/zinc/85/25/71/982852571.db2.gz BOALHIWABXUDGP-UHFFFAOYSA-N -1 3 235.266 2.074 20 0 BEADHM C[C@@H](Nc1cc(F)cc(-c2nnn[n-]2)c1)C1CC1 ZINC001589982438 982890802 /nfs/dbraw/zinc/89/08/02/982890802.db2.gz XKWXBFSSFZDFKI-SSDOTTSWSA-N -1 3 247.277 2.216 20 0 BEADHM C[C@@H](Nc1cc(F)cc(-c2nn[n-]n2)c1)C1CC1 ZINC001589982438 982890807 /nfs/dbraw/zinc/89/08/07/982890807.db2.gz XKWXBFSSFZDFKI-SSDOTTSWSA-N -1 3 247.277 2.216 20 0 BEADHM C[C@@H]1CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1F ZINC001590238160 982913385 /nfs/dbraw/zinc/91/33/85/982913385.db2.gz BUYNGPJWUIIFKE-XCBNKYQSSA-N -1 3 247.277 2.216 20 0 BEADHM CC(=O)c1ccc(CN(C)C[C@@H](C)C(=O)[O-])cc1 ZINC001118251768 982948783 /nfs/dbraw/zinc/94/87/83/982948783.db2.gz UTAJCEQERQTMAT-SNVBAGLBSA-N -1 3 249.310 2.042 20 0 BEADHM CC/C=C/CNc1ccc(F)cc1-c1nnn[n-]1 ZINC001590532442 982954765 /nfs/dbraw/zinc/95/47/65/982954765.db2.gz VILCFLFWALPKOT-ONEGZZNKSA-N -1 3 247.277 2.384 20 0 BEADHM CC/C=C/CNc1ccc(F)cc1-c1nn[n-]n1 ZINC001590532442 982954777 /nfs/dbraw/zinc/95/47/77/982954777.db2.gz VILCFLFWALPKOT-ONEGZZNKSA-N -1 3 247.277 2.384 20 0 BEADHM O=C([O-])CC1(NCc2cscn2)CCCC1 ZINC001353909490 983069938 /nfs/dbraw/zinc/06/99/38/983069938.db2.gz GDKOEFNQTORDKF-UHFFFAOYSA-N -1 3 240.328 2.020 20 0 BEADHM C[C@H](NCc1ccc(C(=O)[O-])o1)[C@@H]1CC1(F)F ZINC001353909605 983070672 /nfs/dbraw/zinc/07/06/72/983070672.db2.gz JBRZOXUMDIBYCW-XPUUQOCRSA-N -1 3 245.225 2.111 20 0 BEADHM C[C@@H](NCc1ccc(C(=O)[O-])o1)[C@H]1CC1(F)F ZINC001353909602 983070843 /nfs/dbraw/zinc/07/08/43/983070843.db2.gz JBRZOXUMDIBYCW-HTRCEHHLSA-N -1 3 245.225 2.111 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@@H]1C[C@H]1C ZINC001592107978 983110737 /nfs/dbraw/zinc/11/07/37/983110737.db2.gz CZGFNELUJTYHAC-KOLCDFICSA-N -1 3 244.298 2.210 20 0 BEADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@@H]1C[C@H]1C ZINC001592107978 983110747 /nfs/dbraw/zinc/11/07/47/983110747.db2.gz CZGFNELUJTYHAC-KOLCDFICSA-N -1 3 244.298 2.210 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)cc1NC[C@H]1C[C@H]1C ZINC001592108395 983115827 /nfs/dbraw/zinc/11/58/27/983115827.db2.gz YGEWKQCHSCASSY-MWLCHTKSSA-N -1 3 243.314 2.243 20 0 BEADHM Cc1ccc(-c2nn[n-]n2)cc1NC[C@H]1C[C@H]1C ZINC001592108395 983115831 /nfs/dbraw/zinc/11/58/31/983115831.db2.gz YGEWKQCHSCASSY-MWLCHTKSSA-N -1 3 243.314 2.243 20 0 BEADHM CSCCCCNc1nc(C)cc(=O)[n-]1 ZINC001354109875 983157728 /nfs/dbraw/zinc/15/77/28/983157728.db2.gz MECSGMODNURJSV-UHFFFAOYSA-N -1 3 227.333 2.046 20 0 BEADHM Fc1ccc(N[C@@H]2C=CCC2)c(-c2nnn[n-]2)c1 ZINC001592651282 983187916 /nfs/dbraw/zinc/18/79/16/983187916.db2.gz UROUMOZLPWDGFN-SECBINFHSA-N -1 3 245.261 2.136 20 0 BEADHM Fc1ccc(N[C@@H]2C=CCC2)c(-c2nn[n-]n2)c1 ZINC001592651282 983187924 /nfs/dbraw/zinc/18/79/24/983187924.db2.gz UROUMOZLPWDGFN-SECBINFHSA-N -1 3 245.261 2.136 20 0 BEADHM C[C@@H](NCC[C@H](C)F)c1cc(C(=O)[O-])co1 ZINC001592950775 983220235 /nfs/dbraw/zinc/22/02/35/983220235.db2.gz PODXAFVVEZLOJB-JGVFFNPUSA-N -1 3 229.251 2.377 20 0 BEADHM c1cc(OCCC2CCC2)cc(-c2nnn[n-]2)c1 ZINC001593561361 983305078 /nfs/dbraw/zinc/30/50/78/983305078.db2.gz JPUJGSQJHNKHQG-UHFFFAOYSA-N -1 3 244.298 2.436 20 0 BEADHM c1cc(OCCC2CCC2)cc(-c2nn[n-]n2)c1 ZINC001593561361 983305084 /nfs/dbraw/zinc/30/50/84/983305084.db2.gz JPUJGSQJHNKHQG-UHFFFAOYSA-N -1 3 244.298 2.436 20 0 BEADHM Nc1nonc1[N-]c1ccc(C2CC2)cc1 ZINC001201675659 983391042 /nfs/dbraw/zinc/39/10/42/983391042.db2.gz OZLSQJVJIIHKJJ-UHFFFAOYSA-N -1 3 216.244 2.273 20 0 BEADHM Nc1ccnc(-c2ccc(F)cc2[O-])c1 ZINC001242216308 983412148 /nfs/dbraw/zinc/41/21/48/983412148.db2.gz ILXBVPYOXLKUEC-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM O=C1NCc2c1cccc2-c1ccc(F)cc1[O-] ZINC001242218183 983418370 /nfs/dbraw/zinc/41/83/70/983418370.db2.gz WTZRFZZXUVRJCK-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM O=C([N-]c1nncs1)c1coc(C(F)F)c1 ZINC001356399954 983601040 /nfs/dbraw/zinc/60/10/40/983601040.db2.gz ACTGJHTXPOEGLH-UHFFFAOYSA-N -1 3 245.210 2.321 20 0 BEADHM [O-]c1c(F)cccc1-c1cccc2n[nH]nc21 ZINC001242350825 983618528 /nfs/dbraw/zinc/61/85/28/983618528.db2.gz MONYHDXZGSADIF-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM NC(=O)c1cccc(-c2cccc(F)c2[O-])c1 ZINC001242351481 983625015 /nfs/dbraw/zinc/62/50/15/983625015.db2.gz WIQCQVDTITWWMM-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM Cc1cc(-c2cccc(F)c2[O-])cn(C)c1=O ZINC001242352718 983627609 /nfs/dbraw/zinc/62/76/09/983627609.db2.gz OJFDOLQIMVHCJF-UHFFFAOYSA-N -1 3 233.242 2.205 20 0 BEADHM NC(=O)c1ccc(-c2cccc(F)c2[O-])cc1F ZINC001242352587 983630365 /nfs/dbraw/zinc/63/03/65/983630365.db2.gz ZUYJWHWKLGCFJP-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM COc1ncc(-c2ccc(=S)[n-]n2)cc1C ZINC001242431130 983732703 /nfs/dbraw/zinc/73/27/03/983732703.db2.gz VIHBUWRGUJUSFH-UHFFFAOYSA-N -1 3 233.296 2.144 20 0 BEADHM Cc1ccc(CO)cc1-c1ccc(=S)[n-]n1 ZINC001242666699 984032660 /nfs/dbraw/zinc/03/26/60/984032660.db2.gz FJICMJCHTZCBKF-UHFFFAOYSA-N -1 3 232.308 2.233 20 0 BEADHM CCCNC(=O)Nc1ccc(F)c([O-])c1 ZINC001202591591 984100025 /nfs/dbraw/zinc/10/00/25/984100025.db2.gz GBXTUGULLFBWHM-UHFFFAOYSA-N -1 3 212.224 2.063 20 0 BEADHM CC=C(C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001242760836 984126417 /nfs/dbraw/zinc/12/64/17/984126417.db2.gz YCOBDKGGCVRTKD-XVNBXDOJSA-N -1 3 218.235 2.429 20 0 BEADHM C/C=C(\C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001242760836 984126422 /nfs/dbraw/zinc/12/64/22/984126422.db2.gz YCOBDKGGCVRTKD-XVNBXDOJSA-N -1 3 218.235 2.429 20 0 BEADHM Cc1cnc(-c2ccccc2C(=O)[O-])cc1N ZINC001242879011 984222134 /nfs/dbraw/zinc/22/21/34/984222134.db2.gz LNOPZKQYKUDKFP-UHFFFAOYSA-N -1 3 228.251 2.337 20 0 BEADHM CCOc1ncc([N-]c2nonc2C)cc1F ZINC001212829074 984259667 /nfs/dbraw/zinc/25/96/67/984259667.db2.gz HWIDPAKWMPWBSV-UHFFFAOYSA-N -1 3 238.222 2.054 20 0 BEADHM Cc1nc(C(=O)[N-]c2nocc2C2CC2)co1 ZINC001438990630 984379468 /nfs/dbraw/zinc/37/94/68/984379468.db2.gz VZEMQISBJPBFHT-UHFFFAOYSA-N -1 3 233.227 2.101 20 0 BEADHM CC(C)n1ncc(-c2ccc(F)c([O-])c2)cc1=O ZINC001243045906 984385499 /nfs/dbraw/zinc/38/54/99/984385499.db2.gz BHJIJWWDVZDRIA-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM Cc1ccc(C(N)=O)c(-c2ccc(F)c([O-])c2)n1 ZINC001243046715 984390800 /nfs/dbraw/zinc/39/08/00/984390800.db2.gz GXOCEGSVRPWNIR-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM Nc1cccnc1-c1ccc(F)c([O-])c1 ZINC001243047266 984392500 /nfs/dbraw/zinc/39/25/00/984392500.db2.gz DWKFZMFHUHQSEX-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM COC(=O)c1ccnc(-c2ccc(F)c([O-])c2)c1 ZINC001243048469 984393247 /nfs/dbraw/zinc/39/32/47/984393247.db2.gz LIABGDLUFHZSPL-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM COCc1ccc(-c2ccc(F)c([O-])c2)nn1 ZINC001243049707 984399047 /nfs/dbraw/zinc/39/90/47/984399047.db2.gz OURYQKZORZZHMT-UHFFFAOYSA-N -1 3 234.230 2.135 20 0 BEADHM C/C(=C/C(=O)[O-])CN1CC[C@@H]1c1ccccc1 ZINC001588948576 984665770 /nfs/dbraw/zinc/66/57/70/984665770.db2.gz IZDMDXAUJVRXGM-PRWOLLLXSA-N -1 3 231.295 2.464 20 0 BEADHM C/C(=C/CN1CCC[C@H]1c1cccnc1)C(=O)[O-] ZINC001588959943 984728950 /nfs/dbraw/zinc/72/89/50/984728950.db2.gz VHQGFSXXCHBICF-GXJZLWQJSA-N -1 3 246.310 2.249 20 0 BEADHM C/C(=C\CN1CCc2cc(C)ccc2C1)C(=O)[O-] ZINC001588961269 984737390 /nfs/dbraw/zinc/73/73/90/984737390.db2.gz NRACUWDPHIPZLR-LFYBBSHMSA-N -1 3 245.322 2.384 20 0 BEADHM C[C@H](CC(=O)[O-])N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001589004456 984984196 /nfs/dbraw/zinc/98/41/96/984984196.db2.gz HXIIRCMVALIPKA-IRUJWGPZSA-N -1 3 237.274 2.077 20 0 BEADHM C[C@H](CC(=O)[O-])N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001589004458 984986249 /nfs/dbraw/zinc/98/62/49/984986249.db2.gz HXIIRCMVALIPKA-XWIASGKRSA-N -1 3 237.274 2.077 20 0 BEADHM Cn1cnc2c1ccnc2-c1cccc([O-])c1F ZINC001243541485 985071426 /nfs/dbraw/zinc/07/14/26/985071426.db2.gz CAEHGSUNUPUDOP-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM COC(=O)c1ccc(-c2cccc([O-])c2F)nc1 ZINC001243541901 985076243 /nfs/dbraw/zinc/07/62/43/985076243.db2.gz HRPJYSZNUDCZQI-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM O=C(CCc1ccco1)[N-]Oc1ccccc1F ZINC001455476688 985077314 /nfs/dbraw/zinc/07/73/14/985077314.db2.gz UHNIEKQMDIGCNF-UHFFFAOYSA-N -1 3 249.241 2.462 20 0 BEADHM [O-]c1cccc(-c2ccc3nncn3c2)c1F ZINC001243544281 985082530 /nfs/dbraw/zinc/08/25/30/985082530.db2.gz GPHCZECWESFQFO-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Nc1ccc(-c2cccc([O-])c2F)cn1 ZINC001243545873 985094159 /nfs/dbraw/zinc/09/41/59/985094159.db2.gz CYOJLWNDOCJJTE-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM NC(=O)Cc1ccccc1-c1cccc([O-])c1F ZINC001243546336 985094262 /nfs/dbraw/zinc/09/42/62/985094262.db2.gz ZYKRKUFUOVJWOV-UHFFFAOYSA-N -1 3 245.253 2.226 20 0 BEADHM S=c1ccc(-c2ccc3c(c2)NCC3)n[n-]1 ZINC001244017250 985745200 /nfs/dbraw/zinc/74/52/00/985745200.db2.gz MAGNYWNNQKQQKB-UHFFFAOYSA-N -1 3 229.308 2.400 20 0 BEADHM NC(=O)c1ccc(-c2c([O-])cccc2Cl)cn1 ZINC001244050554 985781469 /nfs/dbraw/zinc/78/14/69/985781469.db2.gz MTTDTXZARVOROD-UHFFFAOYSA-N -1 3 248.669 2.207 20 0 BEADHM Cc1cc(-c2nccc(N(C)C)n2)cc([O-])c1F ZINC001244507116 986209814 /nfs/dbraw/zinc/20/98/14/986209814.db2.gz UUGDVNZSBSOGPA-UHFFFAOYSA-N -1 3 247.273 2.363 20 0 BEADHM Cc1cc(-c2cnc(F)nc2)cc([O-])c1F ZINC001244517711 986213920 /nfs/dbraw/zinc/21/39/20/986213920.db2.gz MXBABVCRNCPZOC-UHFFFAOYSA-N -1 3 222.194 2.436 20 0 BEADHM Cc1cc(CO)ccc1-c1ccc(=S)[n-]n1 ZINC001244580061 986260925 /nfs/dbraw/zinc/26/09/25/986260925.db2.gz ZXQSFICIUHQFKM-UHFFFAOYSA-N -1 3 232.308 2.233 20 0 BEADHM CC(C)(C)[C@H](O)CNc1ccc([O-])c(F)c1F ZINC001253733758 986349148 /nfs/dbraw/zinc/34/91/48/986349148.db2.gz ZJXSBDZCAFXYPL-SECBINFHSA-N -1 3 245.269 2.489 20 0 BEADHM OCc1ccc(-c2ccc(=S)[n-]n2)c(F)c1 ZINC001244908400 986442140 /nfs/dbraw/zinc/44/21/40/986442140.db2.gz XROOKAXYQTZTQH-UHFFFAOYSA-N -1 3 236.271 2.064 20 0 BEADHM CO[N-]C(=O)Cc1coc2cc(Cl)ccc12 ZINC001463996318 986601797 /nfs/dbraw/zinc/60/17/97/986601797.db2.gz PHBRVOAIUPALID-UHFFFAOYSA-N -1 3 239.658 2.306 20 0 BEADHM [O-]c1ccc(Cl)cc1-c1ncnc2c1CNC2 ZINC001245049886 986604449 /nfs/dbraw/zinc/60/44/49/986604449.db2.gz VOUBVHBNCZIUDK-UHFFFAOYSA-N -1 3 247.685 2.106 20 0 BEADHM [O-]c1ccc(Cl)cc1-c1cncc2nncn21 ZINC001245053049 986614205 /nfs/dbraw/zinc/61/42/05/986614205.db2.gz RLRJWBVUFFKZKZ-UHFFFAOYSA-N -1 3 246.657 2.150 20 0 BEADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(F)CC1 ZINC000689452162 986617036 /nfs/dbraw/zinc/61/70/36/986617036.db2.gz KPDFXEHVABJCPZ-MRVPVSSYSA-N -1 3 241.262 2.473 20 0 BEADHM CSc1ccncc1[N-]C(=O)c1coc(C)n1 ZINC001465639491 986733002 /nfs/dbraw/zinc/73/30/02/986733002.db2.gz VAXVGDGDPVSZKG-UHFFFAOYSA-N -1 3 249.295 2.352 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])c1ccsn1 ZINC001466630821 986815864 /nfs/dbraw/zinc/81/58/64/986815864.db2.gz AXQPBPWUJFCEFK-UHFFFAOYSA-N -1 3 238.243 2.240 20 0 BEADHM Fc1cnc2[nH]cc(-c3ccc(=S)[n-]n3)c2c1 ZINC001245432447 986848772 /nfs/dbraw/zinc/84/87/72/986848772.db2.gz ZMTOKWXPEYVAKM-UHFFFAOYSA-N -1 3 246.270 2.448 20 0 BEADHM CCc1cccc(C(=O)N[C@H](C)C(F)F)c1[O-] ZINC001468856247 986943022 /nfs/dbraw/zinc/94/30/22/986943022.db2.gz FCDAIGDUZFSXDV-SSDOTTSWSA-N -1 3 243.253 2.338 20 0 BEADHM O=C1NCc2ccc(-c3c([O-])cccc3F)cc21 ZINC001245653030 987027872 /nfs/dbraw/zinc/02/78/72/987027872.db2.gz ILGUDCUIRASWAY-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM Cn1nnc2ccc(-c3c([O-])cccc3F)cc21 ZINC001245653915 987028391 /nfs/dbraw/zinc/02/83/91/987028391.db2.gz BCOCGVIHTGWZQT-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM Nc1cn2ccc(-c3c([O-])cccc3F)cc2n1 ZINC001245654547 987030505 /nfs/dbraw/zinc/03/05/05/987030505.db2.gz UIGOAMLMUGREKT-UHFFFAOYSA-N -1 3 243.241 2.428 20 0 BEADHM Cc1cccc([O-])c1-c1nnc([C@@H]2CCOC2)o1 ZINC001255617194 987032021 /nfs/dbraw/zinc/03/20/21/987032021.db2.gz NQETXHUSWLUJHQ-SECBINFHSA-N -1 3 246.266 2.255 20 0 BEADHM [O-]c1cccc(F)c1-c1cnc(N2CCC2)nc1 ZINC001245656562 987036147 /nfs/dbraw/zinc/03/61/47/987036147.db2.gz PSCXCURWQIXMJY-UHFFFAOYSA-N -1 3 245.257 2.198 20 0 BEADHM NC(=O)c1cccc(-c2c([O-])cccc2F)c1F ZINC001245656402 987038152 /nfs/dbraw/zinc/03/81/52/987038152.db2.gz QBMQZDOOFYUAIU-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM CC(C)n1cc(-c2c([O-])cccc2F)cnc1=O ZINC001245656610 987039532 /nfs/dbraw/zinc/03/95/32/987039532.db2.gz XWQJSRNQPMGAOV-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM Cc1ccc(-c2cc(=O)n(CCN(C)C)[n-]2)cc1 ZINC001245919658 987159593 /nfs/dbraw/zinc/15/95/93/987159593.db2.gz UAXMGZLWOFNXTO-UHFFFAOYSA-N -1 3 245.326 2.126 20 0 BEADHM COc1ccnc(Sc2ccccc2[O-])n1 ZINC001472850052 987290804 /nfs/dbraw/zinc/29/08/04/987290804.db2.gz IJDRCVRPYBBNNS-UHFFFAOYSA-N -1 3 234.280 2.342 20 0 BEADHM CC(C)(C)O[N-]C(=O)Cc1ccc2c(c1)COC2 ZINC001116566583 987630948 /nfs/dbraw/zinc/63/09/48/987630948.db2.gz HWJBOSIWTJCRLL-UHFFFAOYSA-N -1 3 249.310 2.106 20 0 BEADHM CC(C)(C)O[N-]C(=O)C(C)(C)C1CCOCC1 ZINC001116877157 987745727 /nfs/dbraw/zinc/74/57/27/987745727.db2.gz LBBKLBCOHYUYDC-UHFFFAOYSA-N -1 3 243.347 2.286 20 0 BEADHM CC(C)O[N-]C(=O)C[C@H]1CCOc2ccccc21 ZINC001117816522 987938076 /nfs/dbraw/zinc/93/80/76/987938076.db2.gz BDEINQFJLNIBSG-LLVKDONJSA-N -1 3 249.310 2.399 20 0 BEADHM Cc1noc(C)c1[N-]C(=O)c1c(C)noc1C ZINC001322096424 988108279 /nfs/dbraw/zinc/10/82/79/988108279.db2.gz DEEAKIODQIUWGT-UHFFFAOYSA-N -1 3 235.243 2.149 20 0 BEADHM Cc1coc(C(=O)Nc2ncccc2[O-])c1C ZINC001322461449 988283144 /nfs/dbraw/zinc/28/31/44/988283144.db2.gz YAYDLXRJHRWWIY-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM C[C@H](CC(=O)[N-]OC(C)(C)C)[C@H]1CCCO1 ZINC001118827320 988626794 /nfs/dbraw/zinc/62/67/94/988626794.db2.gz KZTLTPCBFHNIBF-NXEZZACHSA-N -1 3 229.320 2.038 20 0 BEADHM O=C(CC(C1CC1)C1CC1)[N-]OC1CCC1 ZINC001324039138 988675276 /nfs/dbraw/zinc/67/52/76/988675276.db2.gz KUWYYDIFKWCGAV-UHFFFAOYSA-N -1 3 223.316 2.413 20 0 BEADHM O=C(Cc1ccccc1)[N-]OC/C=C/Cl ZINC001324251441 988769064 /nfs/dbraw/zinc/76/90/64/988769064.db2.gz ODOUGGANXLIKLN-QPJJXVBHSA-N -1 3 225.675 2.029 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)Cc1ccccc1 ZINC001324348227 988808393 /nfs/dbraw/zinc/80/83/93/988808393.db2.gz IXCHTXXPPUHAMB-NSHDSACASA-N -1 3 221.300 2.323 20 0 BEADHM Cc1ccc(C(=O)N2CCCSC2)c([O-])c1 ZINC001514647755 988917533 /nfs/dbraw/zinc/91/75/33/988917533.db2.gz SFTPPMDWRKRZQK-UHFFFAOYSA-N -1 3 237.324 2.237 20 0 BEADHM Cc1sccc1CC(=O)[N-]OC(C)C ZINC001324791398 988986090 /nfs/dbraw/zinc/98/60/90/988986090.db2.gz HNTSSFVRELMYQS-UHFFFAOYSA-N -1 3 213.302 2.055 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@H](C)c2ccncc2)n1 ZINC001515546871 989061325 /nfs/dbraw/zinc/06/13/25/989061325.db2.gz FBQKRWRNIMJYOU-VIFPVBQESA-N -1 3 244.298 2.101 20 0 BEADHM Cc1cc(=O)[n-]c(NC2CC3(CCC3)C2)n1 ZINC001515877280 989127061 /nfs/dbraw/zinc/12/70/61/989127061.db2.gz LWFUWVYUGKULPJ-UHFFFAOYSA-N -1 3 219.288 2.235 20 0 BEADHM Cc1cc(F)c(CN[C@H](C)CC(=O)[O-])c(F)c1 ZINC001325843380 989279543 /nfs/dbraw/zinc/27/95/43/989279543.db2.gz BCDXCWZLVGSYEX-MRVPVSSYSA-N -1 3 243.253 2.226 20 0 BEADHM CC[C@@H](NCc1c(F)cc(C)cc1F)C(=O)[O-] ZINC001326155112 989395514 /nfs/dbraw/zinc/39/55/14/989395514.db2.gz BSVXZJQENDJGLL-LLVKDONJSA-N -1 3 243.253 2.226 20 0 BEADHM Cc1nc(N2CC[C@@H](C)C[C@H]2C)cc(=O)[n-]1 ZINC001119968550 989524310 /nfs/dbraw/zinc/52/43/10/989524310.db2.gz ZWRZOXAUAPVFHK-RKDXNWHRSA-N -1 3 221.304 2.115 20 0 BEADHM O=C(Cc1ccccc1)[N-]OCCC1CC1 ZINC001326464238 989569569 /nfs/dbraw/zinc/56/95/69/989569569.db2.gz AVEAINGNMWZKFR-UHFFFAOYSA-N -1 3 219.284 2.077 20 0 BEADHM COCCCO[N-]C(=O)C12CCC(CC1)CC2 ZINC001120736578 989857445 /nfs/dbraw/zinc/85/74/45/989857445.db2.gz LJSFCRJOBKLNPD-UHFFFAOYSA-N -1 3 241.331 2.041 20 0 BEADHM Cc1cc(=O)[n-]c(N(C)Cc2cccs2)n1 ZINC001120793341 989885235 /nfs/dbraw/zinc/88/52/35/989885235.db2.gz NWTXCHDAXQSSOA-UHFFFAOYSA-N -1 3 235.312 2.189 20 0 BEADHM CCSCCCNc1nc(C)cc(=O)[n-]1 ZINC001120932246 989974534 /nfs/dbraw/zinc/97/45/34/989974534.db2.gz CMWZSGRIBJKSRH-UHFFFAOYSA-N -1 3 227.333 2.046 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@@H](C)CC(F)(F)F)n1 ZINC001120942619 989978302 /nfs/dbraw/zinc/97/83/02/989978302.db2.gz ZZNCHWDGOCRMDQ-LURJTMIESA-N -1 3 249.236 2.491 20 0 BEADHM CC(C)(C)SCCN1CC[C@](F)(C(=O)[O-])C1 ZINC001590429507 989982771 /nfs/dbraw/zinc/98/27/71/989982771.db2.gz ACELLNLLFSAWNG-LLVKDONJSA-N -1 3 249.351 2.017 20 0 BEADHM CC(C)(/C=C/Cl)NCc1ccc(C(=O)[O-])[nH]1 ZINC001590615537 990290828 /nfs/dbraw/zinc/29/08/28/990290828.db2.gz WUNHSGUMOIDXDV-AATRIKPKSA-N -1 3 242.706 2.334 20 0 BEADHM CO[N-]C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001540656251 990634613 /nfs/dbraw/zinc/63/46/13/990634613.db2.gz POBYZYKGSUJBAW-HTQZYQBOSA-N -1 3 239.237 2.423 20 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CC(C)OCCO[N-]C(=O)[C@@]1(C)CC=CCC1 ZINC000833134059 991237964 /nfs/dbraw/zinc/23/79/64/991237964.db2.gz QYZBCSXTRIDXEY-ZDUSSCGKSA-N -1 3 241.331 2.206 20 0 BEADHM CCCC[C@H](CCC)Nc1cnc(C)[n-]c1=O ZINC001258758537 991705891 /nfs/dbraw/zinc/70/58/91/991705891.db2.gz FVLZTOWLKCWDLF-RYUDHWBXSA-N -1 3 237.347 2.333 20 0 BEADHM CCCC[C@H](CCC)Nc1cnc(C)[n-]c1=O ZINC001258758536 991707446 /nfs/dbraw/zinc/70/74/46/991707446.db2.gz FVLZTOWLKCWDLF-NWDGAFQWSA-N -1 3 237.347 2.333 20 0 BEADHM Cc1ncc([N-]C(=O)c2cc(Cl)no2)s1 ZINC001566670657 991863767 /nfs/dbraw/zinc/86/37/67/991863767.db2.gz YNRBYUGVTZBDGJ-UHFFFAOYSA-N -1 3 243.675 2.345 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCC=CO1 ZINC001567234380 991968295 /nfs/dbraw/zinc/96/82/95/991968295.db2.gz IYHVCWGYKMHCMW-LLVKDONJSA-N -1 3 237.230 2.163 20 0 BEADHM O=S(=O)([N-]c1ccoc1)C1CCCCC1 ZINC001259809556 991990966 /nfs/dbraw/zinc/99/09/66/991990966.db2.gz SPGAERSDJVRESJ-UHFFFAOYSA-N -1 3 229.301 2.354 20 0 BEADHM Cc1ccc([C@H](C)[N-]S(=O)(=O)C(F)F)cc1 ZINC001259961000 992062419 /nfs/dbraw/zinc/06/24/19/992062419.db2.gz QUHQAORBOSDBKI-QMMMGPOBSA-N -1 3 249.282 2.198 20 0 BEADHM Cc1sccc1CC(=O)[N-]OC(C)(C)C ZINC001320768875 992346755 /nfs/dbraw/zinc/34/67/55/992346755.db2.gz YZPANUUTEMHLOR-UHFFFAOYSA-N -1 3 227.329 2.445 20 0 BEADHM CON(C(=O)c1cccc(C)c1[O-])C(C)C ZINC001261728714 992469890 /nfs/dbraw/zinc/46/98/90/992469890.db2.gz BHUPQJRGZQPJNB-UHFFFAOYSA-N -1 3 223.272 2.113 20 0 BEADHM CC(C)(C)O[N-]C(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001262377497 992869370 /nfs/dbraw/zinc/86/93/70/992869370.db2.gz WXJQSOZMLBGUFW-WDEREUQCSA-N -1 3 241.331 2.180 20 0 BEADHM [O-]c1cccnc1CNc1ccc(O)cc1 ZINC000390796535 993802575 /nfs/dbraw/zinc/80/25/75/993802575.db2.gz SESLEPAAXBZNOW-UHFFFAOYSA-N -1 3 216.240 2.105 20 0 BEADHM Cc1ccc(C(=O)Nc2ncccc2[O-])nc1C ZINC001296270983 994808255 /nfs/dbraw/zinc/80/82/55/994808255.db2.gz MTTNIGKAXKYKIE-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM C[C@H](N[C@H]1CC[C@@H](C(=O)[O-])C1)c1nccs1 ZINC001593357175 995006404 /nfs/dbraw/zinc/00/64/04/995006404.db2.gz NNMUIPRTZWCXLT-YIZRAAEISA-N -1 3 240.328 2.047 20 0 BEADHM COc1cccc([O-])c1C(=O)N[C@@H]1C=CCCC1 ZINC001339086226 995252627 /nfs/dbraw/zinc/25/26/27/995252627.db2.gz IHEFQZYXSKVPKC-SNVBAGLBSA-N -1 3 247.294 2.239 20 0 BEADHM COc1cccc([O-])c1C(=O)N[C@H]1C=CCCC1 ZINC001339086218 995254654 /nfs/dbraw/zinc/25/46/54/995254654.db2.gz IHEFQZYXSKVPKC-JTQLQIEISA-N -1 3 247.294 2.239 20 0 BEADHM COC(C)(C)CN[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001599033243 999066184 /nfs/dbraw/zinc/06/61/84/999066184.db2.gz YTDRRTSMFPUCOF-QMMMGPOBSA-N -1 3 241.287 2.053 20 0 BEADHM C[C@@H]1CC[C@@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001609163201 1170233993 /nfs/dbraw/zinc/23/39/93/1170233993.db2.gz UKTWJRCHSXTIJH-APPZFPTMSA-N -1 3 247.277 2.216 20 0 BEADHM C[C@@H]1CC[C@@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001609163201 1170233996 /nfs/dbraw/zinc/23/39/96/1170233996.db2.gz UKTWJRCHSXTIJH-APPZFPTMSA-N -1 3 247.277 2.216 20 0 BEADHM Cc1c(NC[C@H]2C[C@@H]2C)cccc1-c1nnn[n-]1 ZINC001609385409 1170256691 /nfs/dbraw/zinc/25/66/91/1170256691.db2.gz BSVFOIVKJHRNPL-WCBMZHEXSA-N -1 3 243.314 2.243 20 0 BEADHM Cc1c(NC[C@H]2C[C@@H]2C)cccc1-c1nn[n-]n1 ZINC001609385409 1170256695 /nfs/dbraw/zinc/25/66/95/1170256695.db2.gz BSVFOIVKJHRNPL-WCBMZHEXSA-N -1 3 243.314 2.243 20 0 BEADHM FCCCCNc1ccc(-c2nn[n-]n2)cc1 ZINC001609487167 1170259227 /nfs/dbraw/zinc/25/92/27/1170259227.db2.gz UVUFTXLXYHNMIU-UHFFFAOYSA-N -1 3 235.266 2.028 20 0 BEADHM CC1=C[C@H](C)CN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC001609829187 1170298489 /nfs/dbraw/zinc/29/84/89/1170298489.db2.gz ZCNQMPZQBZZJLC-JTQLQIEISA-N -1 3 246.310 2.178 20 0 BEADHM O=C([O-])[C@H](CC(F)F)NCc1ccccc1F ZINC001610715946 1170402610 /nfs/dbraw/zinc/40/26/10/1170402610.db2.gz VEALLWGPWVQMQH-VIFPVBQESA-N -1 3 247.216 2.024 20 0 BEADHM O=C([O-])CC1(NCc2ccc(F)cc2F)CC1 ZINC001610758371 1170413531 /nfs/dbraw/zinc/41/35/31/1170413531.db2.gz RVMOECYDVHFHIV-UHFFFAOYSA-N -1 3 241.237 2.062 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CC2(CCC2)C1 ZINC001635913815 1171770501 /nfs/dbraw/zinc/77/05/01/1171770501.db2.gz UQSYUXQCLRZRRY-UHFFFAOYSA-N -1 3 247.294 2.027 20 0 BEADHM Cc1cc(Nc2nccn2C)ccc1C(=O)[O-] ZINC000050605279 1171819444 /nfs/dbraw/zinc/81/94/44/1171819444.db2.gz NCWMLVWSCXVDTD-UHFFFAOYSA-N -1 3 231.255 2.170 20 0 BEADHM C[C@H](NC(=O)c1ccccc1[O-])[C@@H]1CCCCO1 ZINC000272054565 398146696 /nfs/dbraw/zinc/14/66/96/398146696.db2.gz SINZTEWSDCJSNE-GWCFXTLKSA-N -1 3 249.310 2.080 20 0 BEADHM C[C@H](NC(=O)c1ccccc1[O-])[C@H]1CCCCO1 ZINC000272054569 398147303 /nfs/dbraw/zinc/14/73/03/398147303.db2.gz SINZTEWSDCJSNE-GXFFZTMASA-N -1 3 249.310 2.080 20 0 BEADHM C[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])[C@@H](C)[C@H]1C ZINC000399522579 398169426 /nfs/dbraw/zinc/16/94/26/398169426.db2.gz CZPMLIHKOJKPSV-UTLUCORTSA-N -1 3 249.310 2.214 20 0 BEADHM Cc1cc(N(C)CCC(=O)[O-])c2ccccc2n1 ZINC000037932559 178099195 /nfs/dbraw/zinc/09/91/95/178099195.db2.gz ACGKTIQXLBKKJD-UHFFFAOYSA-N -1 3 244.294 2.454 20 0 BEADHM CCC(CC)CC(=O)NCc1ncccc1[O-] ZINC000352518163 168345560 /nfs/dbraw/zinc/34/55/60/168345560.db2.gz VJLVZUYIUHYCMZ-UHFFFAOYSA-N -1 3 236.315 2.230 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)S[C@@H](C)[C@H](C)O)n1 ZINC000246992878 178203201 /nfs/dbraw/zinc/20/32/01/178203201.db2.gz PHAILKIRPUAGTB-CIUDSAMLSA-N -1 3 242.344 2.054 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC=C(F)C2)n1 ZINC000279032967 178203833 /nfs/dbraw/zinc/20/38/33/178203833.db2.gz DQGIGGGUJLVGRJ-SECBINFHSA-N -1 3 237.278 2.111 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@H](C)C2)n1 ZINC000177912206 178204155 /nfs/dbraw/zinc/20/41/55/178204155.db2.gz VRPXKROZAPNDBK-GXSJLCMTSA-N -1 3 235.331 2.284 20 0 BEADHM CC1(F)CCN(C(=O)c2ccccc2[O-])CC1 ZINC000634357240 361776240 /nfs/dbraw/zinc/77/62/40/361776240.db2.gz KWRPYWYQGFJPPA-UHFFFAOYSA-N -1 3 237.274 2.356 20 0 BEADHM Cc1cc2c([n-]c(-c3ccccn3)nc2=O)s1 ZINC000041580507 178278408 /nfs/dbraw/zinc/27/84/08/178278408.db2.gz YNXCBQPAUFVYOX-UHFFFAOYSA-N -1 3 243.291 2.355 20 0 BEADHM Cc1ccc(-c2nnc(NC(=O)C(C)(C)C)[n-]2)o1 ZINC000181875812 178340469 /nfs/dbraw/zinc/34/04/69/178340469.db2.gz CHXVPNJSIHFZEY-UHFFFAOYSA-N -1 3 248.286 2.358 20 0 BEADHM Cc1ccc(-c2n[n-]c(NC(=O)C(C)(C)C)n2)o1 ZINC000181875812 178340470 /nfs/dbraw/zinc/34/04/70/178340470.db2.gz CHXVPNJSIHFZEY-UHFFFAOYSA-N -1 3 248.286 2.358 20 0 BEADHM Cc1ccc(-c2nc(NC(=O)C(C)(C)C)n[n-]2)o1 ZINC000181875812 178340472 /nfs/dbraw/zinc/34/04/72/178340472.db2.gz CHXVPNJSIHFZEY-UHFFFAOYSA-N -1 3 248.286 2.358 20 0 BEADHM CCCC(C)(C)NC(=O)Cc1cncc([O-])c1 ZINC000576767365 365682606 /nfs/dbraw/zinc/68/26/06/365682606.db2.gz KBJJDHRMOYAPGF-UHFFFAOYSA-N -1 3 236.315 2.025 20 0 BEADHM CC(C)(NC(=O)c1cccc([O-])c1)C(F)(F)F ZINC000393859057 343997128 /nfs/dbraw/zinc/99/71/28/343997128.db2.gz VRTHRIGXXDYURD-UHFFFAOYSA-N -1 3 247.216 2.463 20 0 BEADHM Cc1ccc(C(=O)N2CCC=C(F)C2)c([O-])c1 ZINC000272089409 178385104 /nfs/dbraw/zinc/38/51/04/178385104.db2.gz KUJPSNALQWAWBN-UHFFFAOYSA-N -1 3 235.258 2.400 20 0 BEADHM Cc1ccc(C(=O)N2CCC[C@@H]2CF)c([O-])c1 ZINC000293916344 178389412 /nfs/dbraw/zinc/38/94/12/178389412.db2.gz ARBVSXYAOSWDNV-SNVBAGLBSA-N -1 3 237.274 2.275 20 0 BEADHM CCC(CC)NC(=O)c1cccc([O-])c1 ZINC000019837256 168385717 /nfs/dbraw/zinc/38/57/17/168385717.db2.gz KVFJOZMLXKDGLB-UHFFFAOYSA-N -1 3 207.273 2.311 20 0 BEADHM CCC(CC)NC(=O)c1ccc([O-])c(OC)c1 ZINC000268057083 168386143 /nfs/dbraw/zinc/38/61/43/168386143.db2.gz BIXAURRUANUFBV-UHFFFAOYSA-N -1 3 237.299 2.319 20 0 BEADHM Cc1cocc1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000630008533 361892757 /nfs/dbraw/zinc/89/27/57/361892757.db2.gz CCTZISZVDMHBOY-UHFFFAOYSA-N -1 3 247.298 2.417 20 0 BEADHM C=CCSCCNc1ccncc1C(=O)[O-] ZINC000231951639 342763343 /nfs/dbraw/zinc/76/33/43/342763343.db2.gz QGEVRWSBYDFGDX-UHFFFAOYSA-N -1 3 238.312 2.111 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C12CC(C1)C2 ZINC000630009784 361894401 /nfs/dbraw/zinc/89/44/01/361894401.db2.gz URLRPSJDMJUNEB-UHFFFAOYSA-N -1 3 233.315 2.002 20 0 BEADHM C/C=C\CN=c1[n-]c(C(C)=O)c(C)s1 ZINC000624656645 342810411 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BEADHM Cc1cccc([O-])c1C(=O)N(C)CC(F)F ZINC000625252789 343053112 /nfs/dbraw/zinc/05/31/12/343053112.db2.gz XFTRBKNRCKEYCI-UHFFFAOYSA-N -1 3 229.226 2.038 20 0 BEADHM CC(C)[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000227591170 187229440 /nfs/dbraw/zinc/22/94/40/187229440.db2.gz LYIYQQCCBITUSI-GFCCVEGCSA-N -1 3 249.310 2.358 20 0 BEADHM CCc1cccc(C(=O)NCc2ccco2)c1[O-] ZINC000530641609 343145472 /nfs/dbraw/zinc/14/54/72/343145472.db2.gz QPACNGGQVBOVAF-UHFFFAOYSA-N -1 3 245.278 2.478 20 0 BEADHM CCC[C@@H](C)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762221 343157040 /nfs/dbraw/zinc/15/70/40/343157040.db2.gz ASQOZRYTPUGJEX-SNVBAGLBSA-N -1 3 236.315 2.400 20 0 BEADHM CCCN(Cc1ccc(C(=O)[O-])cn1)C1CC1 ZINC000094762155 343157066 /nfs/dbraw/zinc/15/70/66/343157066.db2.gz XMKRLFPIJBCFON-UHFFFAOYSA-N -1 3 234.299 2.154 20 0 BEADHM C[C@H]1C[C@H](C)CN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762035 343157259 /nfs/dbraw/zinc/15/72/59/343157259.db2.gz WMAUPZKXLBBSIL-QWRGUYRKSA-N -1 3 248.326 2.258 20 0 BEADHM C[C@@H]1CC[C@@H](C)N(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762908 343157286 /nfs/dbraw/zinc/15/72/86/343157286.db2.gz AKLKYUMWXVWFGY-GHMZBOCLSA-N -1 3 248.326 2.400 20 0 BEADHM O=C([O-])c1cccc2c1CCN(CCCF)C2 ZINC000124572721 343163478 /nfs/dbraw/zinc/16/34/78/343163478.db2.gz PNBMYYKQQSTUKF-UHFFFAOYSA-N -1 3 237.274 2.103 20 0 BEADHM Cc1cc([N-]C(=O)c2cc(C(C)C)no2)ncn1 ZINC000525644084 259354804 /nfs/dbraw/zinc/35/48/04/259354804.db2.gz ISJCYDDUSLIWDF-UHFFFAOYSA-N -1 3 246.270 2.149 20 0 BEADHM C[C@@H]1C[C@H](C)N(Cc2ccc(C(=O)[O-])o2)C1 ZINC000158008083 343200401 /nfs/dbraw/zinc/20/04/01/343200401.db2.gz FDQQJJQAPUDDQD-BDAKNGLRSA-N -1 3 223.272 2.208 20 0 BEADHM CC(C)[C@@H]1CCN(c2ccncc2C(=O)[O-])C1 ZINC000160233946 343203436 /nfs/dbraw/zinc/20/34/36/343203436.db2.gz UJKAAYSBUAVSCR-SNVBAGLBSA-N -1 3 234.299 2.262 20 0 BEADHM CCN(Cc1cc(C(=O)[O-])oc1C)C1CC1 ZINC000051361374 343256290 /nfs/dbraw/zinc/25/62/90/343256290.db2.gz KFZUEUDEKVHTHI-UHFFFAOYSA-N -1 3 223.272 2.271 20 0 BEADHM CC[C@H](C)N(C)Cc1cc(C(=O)[O-])co1 ZINC000051330345 343256352 /nfs/dbraw/zinc/25/63/52/343256352.db2.gz AVVUOFZKVWGDJH-QMMMGPOBSA-N -1 3 211.261 2.208 20 0 BEADHM Cc1nsc(NCc2ccc([O-])c(F)c2)n1 ZINC000078295565 343367962 /nfs/dbraw/zinc/36/79/62/343367962.db2.gz LAEKICUGMCCLMO-UHFFFAOYSA-N -1 3 239.275 2.303 20 0 BEADHM CCC1(CC)CN(C(=O)c2csc(=O)[n-]2)C1 ZINC000335834379 136352957 /nfs/dbraw/zinc/35/29/57/136352957.db2.gz LKBIEKQHGNKPOU-UHFFFAOYSA-N -1 3 240.328 2.111 20 0 BEADHM CN(CCC(=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC000088046989 343697507 /nfs/dbraw/zinc/69/75/07/343697507.db2.gz DMIAKMZXEQJNIH-UHFFFAOYSA-N -1 3 245.681 2.386 20 0 BEADHM COc1ccc(NC(=O)C2(C)CC2)c([O-])c1 ZINC000336405657 537807272 /nfs/dbraw/zinc/80/72/72/537807272.db2.gz VXDMUGCSQMHSLA-UHFFFAOYSA-N -1 3 221.256 2.139 20 0 BEADHM O=C(CC1CCCC1)[N-]OC/C=C/Cl ZINC000291970319 187349549 /nfs/dbraw/zinc/34/95/49/187349549.db2.gz YEOWFRLRFHMAQG-ZZXKWVIFSA-N -1 3 217.696 2.367 20 0 BEADHM CCc1cc(C(=O)N(C)CC2CC2)ccc1[O-] ZINC000291416918 187348463 /nfs/dbraw/zinc/34/84/63/187348463.db2.gz GIADTXHXFOKMKQ-UHFFFAOYSA-N -1 3 233.311 2.437 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2CCCCO2)c1 ZINC000189590045 346983034 /nfs/dbraw/zinc/98/30/34/346983034.db2.gz SBNTUFRHUCADGS-UHFFFAOYSA-N -1 3 235.283 2.122 20 0 BEADHM COc1ccc(CC(=O)[N-]OC2CCCC2)cc1 ZINC000074581278 187277097 /nfs/dbraw/zinc/27/70/97/187277097.db2.gz NMLXZPDZNQAXFA-UHFFFAOYSA-N -1 3 249.310 2.228 20 0 BEADHM CCO[C@H](C(=O)Nc1ccccc1[O-])C(C)C ZINC000624488987 343909630 /nfs/dbraw/zinc/90/96/30/343909630.db2.gz PKYIPBACOZUOAE-LBPRGKRZSA-N -1 3 237.299 2.392 20 0 BEADHM O=C(Nc1ccccc1[O-])C12CC(C1)C2 ZINC000624488934 343909634 /nfs/dbraw/zinc/90/96/34/343909634.db2.gz MPEQGWGMAIGBOV-UHFFFAOYSA-N -1 3 203.241 2.131 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H]3C[C@@H]3C2)c1 ZINC000619356870 343931938 /nfs/dbraw/zinc/93/19/38/343931938.db2.gz DFRVXTIOJMVWBX-VXGBXAGGSA-N -1 3 245.322 2.437 20 0 BEADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC(F)C1 ZINC000335916824 344085974 /nfs/dbraw/zinc/08/59/74/344085974.db2.gz GOYYCFRHHDLKRV-UHFFFAOYSA-N -1 3 249.285 2.065 20 0 BEADHM C[C@@H](CC(=O)[O-])N(C)Cc1cc(F)cc(F)c1 ZINC000582133905 347045388 /nfs/dbraw/zinc/04/53/88/347045388.db2.gz SRQJHSNQKZBIDA-QMMMGPOBSA-N -1 3 243.253 2.260 20 0 BEADHM CC1(C)CC(NC(=O)c2ccc(O)cc2[O-])C1 ZINC000395441085 344321526 /nfs/dbraw/zinc/32/15/26/344321526.db2.gz QQNVTKRKRPLALZ-UHFFFAOYSA-N -1 3 235.283 2.016 20 0 BEADHM COc1ccc(C(=O)NC2CC(C)(C)C2)c([O-])c1 ZINC000395491146 344332662 /nfs/dbraw/zinc/33/26/62/344332662.db2.gz KALNNTGWCKPNGU-UHFFFAOYSA-N -1 3 249.310 2.319 20 0 BEADHM O=C([N-]c1cc(F)ccn1)c1ocnc1C1CC1 ZINC000622152591 344413015 /nfs/dbraw/zinc/41/30/15/344413015.db2.gz OLNMAWBCTAJLKU-UHFFFAOYSA-N -1 3 247.229 2.338 20 0 BEADHM CCC(C)(C)CCSCCc1nnn[n-]1 ZINC000603341033 349917687 /nfs/dbraw/zinc/91/76/87/349917687.db2.gz WEQJNSNAXPKSTG-UHFFFAOYSA-N -1 3 228.365 2.302 20 0 BEADHM CCC(C)(C)CCSCCc1nn[n-]n1 ZINC000603341033 349917688 /nfs/dbraw/zinc/91/76/88/349917688.db2.gz WEQJNSNAXPKSTG-UHFFFAOYSA-N -1 3 228.365 2.302 20 0 BEADHM CC1(NC(=O)Cc2ccc([O-])c(F)c2)CCC1 ZINC000583362679 344811062 /nfs/dbraw/zinc/81/10/62/344811062.db2.gz UOYAZNYHPHDLQG-UHFFFAOYSA-N -1 3 237.274 2.133 20 0 BEADHM CC1CCC(CSCCc2nnn[n-]2)CC1 ZINC000603341131 349919175 /nfs/dbraw/zinc/91/91/75/349919175.db2.gz YBCPNGVPARBCEY-UHFFFAOYSA-N -1 3 240.376 2.302 20 0 BEADHM CC1CCC(CSCCc2nn[n-]n2)CC1 ZINC000603341131 349919177 /nfs/dbraw/zinc/91/91/77/349919177.db2.gz YBCPNGVPARBCEY-UHFFFAOYSA-N -1 3 240.376 2.302 20 0 BEADHM C1=C(CCSCCc2nnn[n-]2)CCCC1 ZINC000603342262 349920083 /nfs/dbraw/zinc/92/00/83/349920083.db2.gz WTAKTECHXQNNBO-UHFFFAOYSA-N -1 3 238.360 2.366 20 0 BEADHM C1=C(CCSCCc2nn[n-]n2)CCCC1 ZINC000603342262 349920085 /nfs/dbraw/zinc/92/00/85/349920085.db2.gz WTAKTECHXQNNBO-UHFFFAOYSA-N -1 3 238.360 2.366 20 0 BEADHM Cc1[nH]nc(C(=O)Nc2ccc(C)cc2[O-])c1C ZINC000336577899 178754955 /nfs/dbraw/zinc/75/49/55/178754955.db2.gz VJEWJWLISZZJFU-UHFFFAOYSA-N -1 3 245.282 2.293 20 0 BEADHM C(CSCCc1nnn[n-]1)CC1CCC1 ZINC000603344561 349920672 /nfs/dbraw/zinc/92/06/72/349920672.db2.gz WKOJRPOZYUBDHH-UHFFFAOYSA-N -1 3 226.349 2.056 20 0 BEADHM C(CSCCc1nn[n-]n1)CC1CCC1 ZINC000603344561 349920675 /nfs/dbraw/zinc/92/06/75/349920675.db2.gz WKOJRPOZYUBDHH-UHFFFAOYSA-N -1 3 226.349 2.056 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CC2CC1(C)C2 ZINC000628172370 344892535 /nfs/dbraw/zinc/89/25/35/344892535.db2.gz FPOCYGDOFOQGAL-UHFFFAOYSA-N -1 3 231.295 2.325 20 0 BEADHM O=C([O-])CCCCNCc1ccc(Cl)o1 ZINC000635315620 345302942 /nfs/dbraw/zinc/30/29/42/345302942.db2.gz OYYSLLCEFPINBN-UHFFFAOYSA-N -1 3 231.679 2.278 20 0 BEADHM CCc1cccc(C(=O)Nc2nncs2)c1[O-] ZINC000081935446 345504198 /nfs/dbraw/zinc/50/41/98/345504198.db2.gz CHNSHAFQXVCBSV-UHFFFAOYSA-N -1 3 249.295 2.058 20 0 BEADHM Cc1ccc(C)c(CSCCc2nnn[n-]2)c1 ZINC000603338736 349929095 /nfs/dbraw/zinc/92/90/95/349929095.db2.gz VQARINSISFTEQS-UHFFFAOYSA-N -1 3 248.355 2.292 20 0 BEADHM Cc1ccc(C)c(CSCCc2nn[n-]n2)c1 ZINC000603338736 349929101 /nfs/dbraw/zinc/92/91/01/349929101.db2.gz VQARINSISFTEQS-UHFFFAOYSA-N -1 3 248.355 2.292 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CCC2(C)C)c1 ZINC000094167359 345681861 /nfs/dbraw/zinc/68/18/61/345681861.db2.gz FZOSDEBHUXTZRP-UHFFFAOYSA-N -1 3 235.283 2.025 20 0 BEADHM Cc1ccc(C[S@@](=O)c2cccc([O-])c2)nc1 ZINC000585744315 345986986 /nfs/dbraw/zinc/98/69/86/345986986.db2.gz TVBXNGICSUIMMQ-QGZVFWFLSA-N -1 3 247.319 2.403 20 0 BEADHM Cc1ccc(C[S@](=O)c2ccc([O-])cc2)nc1 ZINC000585743870 345987120 /nfs/dbraw/zinc/98/71/20/345987120.db2.gz JFJUZAHBHHGNEY-KRWDZBQOSA-N -1 3 247.319 2.403 20 0 BEADHM O=C(Nc1ncccc1[O-])C1CCC=CCC1 ZINC000635790700 346070605 /nfs/dbraw/zinc/07/06/05/346070605.db2.gz IMMLWGGKCPLVIG-UHFFFAOYSA-N -1 3 232.283 2.472 20 0 BEADHM Cc1oc(CN(C)CC[C@H](C)F)cc1C(=O)[O-] ZINC000563282809 323108137 /nfs/dbraw/zinc/10/81/37/323108137.db2.gz TUWYDYPXWBEVNM-QMMMGPOBSA-N -1 3 243.278 2.466 20 0 BEADHM CC(C)[C@@H]1CCN1C(=O)c1cccc([O-])c1 ZINC000334224853 187316907 /nfs/dbraw/zinc/31/69/07/187316907.db2.gz DFVBRBLWDVCHER-LBPRGKRZSA-N -1 3 219.284 2.263 20 0 BEADHM Cc1cccc(C(=O)NC2CC(C)C2)c1[O-] ZINC000080117256 179014504 /nfs/dbraw/zinc/01/45/04/179014504.db2.gz WXLJOWOOEDSPEC-UHFFFAOYSA-N -1 3 219.284 2.229 20 0 BEADHM CCO[N-]C(=O)C[C@H](C)Cc1cccc(F)c1 ZINC000081238525 537969160 /nfs/dbraw/zinc/96/91/60/537969160.db2.gz HLLAEJBXOCUJKB-SNVBAGLBSA-N -1 3 239.290 2.462 20 0 BEADHM Cc1cc(C(=O)N2OC3CCC2CC3)ccc1[O-] ZINC000636405439 346480481 /nfs/dbraw/zinc/48/04/81/346480481.db2.gz BXFQZXSIZGGECJ-UHFFFAOYSA-N -1 3 247.294 2.399 20 0 BEADHM O=C(c1cccc([O-])c1)N1OC2CCC1CC2 ZINC000636409153 346487692 /nfs/dbraw/zinc/48/76/92/346487692.db2.gz FWJFVUGUNWYYGM-UHFFFAOYSA-N -1 3 233.267 2.091 20 0 BEADHM CC[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000037915231 346710915 /nfs/dbraw/zinc/71/09/15/346710915.db2.gz OYYWNHDOCUKFDR-LLVKDONJSA-N -1 3 219.284 2.407 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCOC[C@@H]1C ZINC000192844514 365843129 /nfs/dbraw/zinc/84/31/29/365843129.db2.gz QRMKKGXGBXDQGN-WDEREUQCSA-N -1 3 249.310 2.312 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC000337519075 179160037 /nfs/dbraw/zinc/16/00/37/179160037.db2.gz WUELHZOQQWTAIM-OUJBWJOFSA-N -1 3 249.310 2.453 20 0 BEADHM Cc1cccc([O-])c1NC(=O)c1cc(F)c[nH]1 ZINC000334183886 179160246 /nfs/dbraw/zinc/16/02/46/179160246.db2.gz FOQRQYVHIFZNNW-UHFFFAOYSA-N -1 3 234.230 2.420 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1CO[C@@H](C)C1 ZINC000336432955 179160310 /nfs/dbraw/zinc/16/03/10/179160310.db2.gz ZNVXXJCXIKRMED-VHSXEESVSA-N -1 3 235.283 2.064 20 0 BEADHM CC[C@@H]1C[C@H]1CNC(=O)c1cccc([O-])c1 ZINC000388033670 347160018 /nfs/dbraw/zinc/16/00/18/347160018.db2.gz JYBSFXWSUQYOKO-KOLCDFICSA-N -1 3 219.284 2.168 20 0 BEADHM CN(CCc1ccccc1)Cc1ncccc1[O-] ZINC000582089619 347201505 /nfs/dbraw/zinc/20/15/05/347201505.db2.gz OFRFRXGLMGQKNN-UHFFFAOYSA-N -1 3 242.322 2.462 20 0 BEADHM CN(Cc1cc(C(=O)[O-])co1)C(C)(C)C ZINC000382204714 347231961 /nfs/dbraw/zinc/23/19/61/347231961.db2.gz ZWJAMDUHEXVOFT-UHFFFAOYSA-N -1 3 211.261 2.208 20 0 BEADHM CC(C)n1nccc1NC(=O)c1cccc([O-])c1 ZINC000019838282 347293900 /nfs/dbraw/zinc/29/39/00/347293900.db2.gz QUGHFGCWLNIFIR-UHFFFAOYSA-N -1 3 245.282 2.422 20 0 BEADHM CC(C)(F)CCNC(=O)c1ccccc1[O-] ZINC000618404678 347333620 /nfs/dbraw/zinc/33/36/20/347333620.db2.gz LXXFOONMOLBHDW-UHFFFAOYSA-N -1 3 225.263 2.260 20 0 BEADHM CC[C@H](OC)C(=O)Nc1ccc([O-])cc1Cl ZINC000616942288 347511420 /nfs/dbraw/zinc/51/14/20/347511420.db2.gz XVXXGRJUZBRXAR-JTQLQIEISA-N -1 3 243.690 2.409 20 0 BEADHM O=C(NCc1ccsc1)c1c([O-])cccc1O ZINC000176837550 365910505 /nfs/dbraw/zinc/91/05/05/365910505.db2.gz KXDNFHHAGGTTAC-UHFFFAOYSA-N -1 3 249.291 2.089 20 0 BEADHM CCN(CCSC)Cc1nc(C)ccc1[O-] ZINC000592530471 347796164 /nfs/dbraw/zinc/79/61/64/347796164.db2.gz XBOPDOLNXFRPTC-UHFFFAOYSA-N -1 3 240.372 2.281 20 0 BEADHM Cc1ccc(NC(=O)/C=C\[C@@H]2CCOC2)c([O-])c1 ZINC000493691369 348018099 /nfs/dbraw/zinc/01/80/99/348018099.db2.gz PYDMOHCXECQTGJ-USEMIUTHSA-N -1 3 247.294 2.232 20 0 BEADHM O=C([O-])c1cnccc1NCc1ccsc1 ZINC000088109890 362904019 /nfs/dbraw/zinc/90/40/19/362904019.db2.gz RJIDLBVNERQZAU-UHFFFAOYSA-N -1 3 234.280 2.453 20 0 BEADHM CC(C)(C)CNc1ccncc1C(=O)[O-] ZINC000088109776 362904191 /nfs/dbraw/zinc/90/41/91/362904191.db2.gz CPXMNNNQHSTSER-UHFFFAOYSA-N -1 3 208.261 2.238 20 0 BEADHM CCc1cc(=O)[n-]c(CN2C[C@H](C)[C@@H](C)[C@H]2C)n1 ZINC000419375989 192128643 /nfs/dbraw/zinc/12/86/43/192128643.db2.gz SJMPVJYCBJYQSG-HBNTYKKESA-N -1 3 249.358 2.221 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](C)[C@@H]2C)n1 ZINC000248718781 349147526 /nfs/dbraw/zinc/14/75/26/349147526.db2.gz FWKAMTLQWUXJHG-MIMYLULJSA-N -1 3 235.331 2.282 20 0 BEADHM CSCCOc1cc2occ([O-])c2c(C)c1 ZINC000601924611 349382497 /nfs/dbraw/zinc/38/24/97/349382497.db2.gz DHTAPMKGLPDZOT-UHFFFAOYSA-N -1 3 238.308 2.312 20 0 BEADHM CCC[C@@H](OCC)C(=O)[N-]c1onc(C)c1C ZINC000636925416 350072546 /nfs/dbraw/zinc/07/25/46/350072546.db2.gz POFCEQRDINYYQF-SNVBAGLBSA-N -1 3 240.303 2.435 20 0 BEADHM COC(C)(C)C(=O)Nc1ccc([O-])cc1Cl ZINC000230939067 350081390 /nfs/dbraw/zinc/08/13/90/350081390.db2.gz YHIGIDUQHZPTEG-UHFFFAOYSA-N -1 3 243.690 2.409 20 0 BEADHM CCO[C@@H](C(=O)[N-]c1onc(C)c1C)C1CC1 ZINC000636925477 350072318 /nfs/dbraw/zinc/07/23/18/350072318.db2.gz RAZIEXMEDUTRAV-SNVBAGLBSA-N -1 3 238.287 2.045 20 0 BEADHM Cc1ncc(C(=O)[N-]c2c(C)noc2C)s1 ZINC000299575553 180135678 /nfs/dbraw/zinc/13/56/78/180135678.db2.gz SFQUZBUUTKPJGA-UHFFFAOYSA-N -1 3 237.284 2.309 20 0 BEADHM CCN(Cc1ccc(F)cc1F)[C@H](C)C(=O)[O-] ZINC000604773064 350186422 /nfs/dbraw/zinc/18/64/22/350186422.db2.gz IPXXSYRPHDLWFR-MRVPVSSYSA-N -1 3 243.253 2.260 20 0 BEADHM Cc1cccc(C(=O)NCC(C)(F)F)c1[O-] ZINC000563920994 323322637 /nfs/dbraw/zinc/32/26/37/323322637.db2.gz WDLUQBCRONDWQX-UHFFFAOYSA-N -1 3 229.226 2.086 20 0 BEADHM Cc1ccc([O-])c(CN(C)[C@@H]2CC2(C)C)n1 ZINC000426537354 191095560 /nfs/dbraw/zinc/09/55/60/191095560.db2.gz FVZLEANDRGFNIX-GFCCVEGCSA-N -1 3 220.316 2.326 20 0 BEADHM C[C@H]1CCC[C@@H](CNC(=O)c2cccc([O-])c2)O1 ZINC000618565077 350337850 /nfs/dbraw/zinc/33/78/50/350337850.db2.gz NBCRWPKLXZFEAZ-GWCFXTLKSA-N -1 3 249.310 2.080 20 0 BEADHM COc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2C)c([O-])c1 ZINC000162940764 350472808 /nfs/dbraw/zinc/47/28/08/350472808.db2.gz HJKIJUBPMSZUFL-UWVGGRQHSA-N -1 3 249.310 2.271 20 0 BEADHM Cc1nn(C)cc1[C@H](C)[N-]c1nc(C(C)C)no1 ZINC000189596250 180382661 /nfs/dbraw/zinc/38/26/61/180382661.db2.gz QMMNBSPWPVHAQX-QMMMGPOBSA-N -1 3 249.318 2.408 20 0 BEADHM CCc1cc(=NC(=O)c2cccc(C)c2)[n-]o1 ZINC000606891073 350620125 /nfs/dbraw/zinc/62/01/25/350620125.db2.gz RAPFNVORLYSAHZ-UHFFFAOYSA-N -1 3 230.267 2.220 20 0 BEADHM C/C=C\CNC(=O)c1ccc(C)cc1[O-] ZINC000384997530 350706430 /nfs/dbraw/zinc/70/64/30/350706430.db2.gz LMZQNZZHPHQWNA-ARJAWSKDSA-N -1 3 205.257 2.007 20 0 BEADHM Cc1cccc([O-])c1C(=O)NCC(=O)C(C)(C)C ZINC000626296501 350904116 /nfs/dbraw/zinc/90/41/16/350904116.db2.gz HDWIFPKOGVGSNW-UHFFFAOYSA-N -1 3 249.310 2.046 20 0 BEADHM COC1CC(C(=O)Nc2c(C)cccc2[O-])C1 ZINC000626339164 350988467 /nfs/dbraw/zinc/98/84/67/350988467.db2.gz WCDPAEGTRSUAMC-UHFFFAOYSA-N -1 3 235.283 2.064 20 0 BEADHM CCSCCOc1ccc2c([O-])coc2c1 ZINC000129185930 351004563 /nfs/dbraw/zinc/00/45/63/351004563.db2.gz QCXZVRSMWLYFFZ-UHFFFAOYSA-N -1 3 238.308 2.394 20 0 BEADHM CC(C)c1coc([N-]C(=O)c2cocn2)n1 ZINC000637636903 351027355 /nfs/dbraw/zinc/02/73/55/351027355.db2.gz GELHKIIMUYIWPH-UHFFFAOYSA-N -1 3 221.216 2.038 20 0 BEADHM CC(F)(F)CNC(=O)c1cc([O-])ccc1Cl ZINC000571831448 323488204 /nfs/dbraw/zinc/48/82/04/323488204.db2.gz NMYDUODYBWCECJ-UHFFFAOYSA-N -1 3 249.644 2.431 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(Cl)cc1 ZINC000005953325 351339643 /nfs/dbraw/zinc/33/96/43/351339643.db2.gz IAFLWWTVIPNLCP-UHFFFAOYSA-N -1 3 214.652 2.413 20 0 BEADHM CC1(C)CC[C@H](C(=O)Nc2ccccc2[O-])O1 ZINC000278455724 351764702 /nfs/dbraw/zinc/76/47/02/351764702.db2.gz NYFOYAODWCBVCD-LLVKDONJSA-N -1 3 235.283 2.288 20 0 BEADHM O=C([N-]OCc1ccccc1)C1CC(F)(F)C1 ZINC000307252367 351771062 /nfs/dbraw/zinc/77/10/62/351771062.db2.gz SAINDTXOVYQZAJ-UHFFFAOYSA-N -1 3 241.237 2.280 20 0 BEADHM CC[C@H](NC(=O)c1ccc([O-])c(OC)c1)C1CC1 ZINC000618868909 351888429 /nfs/dbraw/zinc/88/84/29/351888429.db2.gz QRNXJKJIPXQOTM-NSHDSACASA-N -1 3 249.310 2.319 20 0 BEADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1csc(=O)[n-]1 ZINC000335756189 133893064 /nfs/dbraw/zinc/89/30/64/133893064.db2.gz IVXWPXIYYWZOPB-HTQZYQBOSA-N -1 3 240.328 2.109 20 0 BEADHM CCc1cnc(NC([O-])=NOC(C)C)s1 ZINC000296872645 352459734 /nfs/dbraw/zinc/45/97/34/352459734.db2.gz LXLUQCBQGPWLAK-UHFFFAOYSA-N -1 3 229.305 2.167 20 0 BEADHM CCc1cnc(NC(=O)[N-]OC(C)C)s1 ZINC000296872645 352459738 /nfs/dbraw/zinc/45/97/38/352459738.db2.gz LXLUQCBQGPWLAK-UHFFFAOYSA-N -1 3 229.305 2.167 20 0 BEADHM Cc1cncc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000334185183 352773870 /nfs/dbraw/zinc/77/38/70/352773870.db2.gz GERZNUVVFFKINS-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CC[C@@H]2C(C)C)c1 ZINC000334219068 352821151 /nfs/dbraw/zinc/82/11/51/352821151.db2.gz FKVYTZJIYLKRPE-GFCCVEGCSA-N -1 3 249.310 2.271 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@H](C)[C@H](C)CC)c1C ZINC000356543246 188238469 /nfs/dbraw/zinc/23/84/69/188238469.db2.gz CDNYANZFAXLGSW-BDAKNGLRSA-N -1 3 237.347 2.323 20 0 BEADHM CC(C)CO[N-]C(=O)CCc1cccs1 ZINC000135324988 188332075 /nfs/dbraw/zinc/33/20/75/188332075.db2.gz XQFVCHQDRJPKBT-UHFFFAOYSA-N -1 3 227.329 2.385 20 0 BEADHM CC(C)CO[N-]C(=O)Cc1ccc(F)cc1F ZINC000135329631 188332096 /nfs/dbraw/zinc/33/20/96/188332096.db2.gz GDGZFICZSVTBBL-UHFFFAOYSA-N -1 3 243.253 2.211 20 0 BEADHM CC1(C(=O)Nc2ccc(Cl)cc2[O-])COC1 ZINC000273033298 188376821 /nfs/dbraw/zinc/37/68/21/188376821.db2.gz FXFPPSAFDZLATL-UHFFFAOYSA-N -1 3 241.674 2.021 20 0 BEADHM CC(C)=CC(=O)Nc1nc(C)ccc1[O-] ZINC000273494545 188378535 /nfs/dbraw/zinc/37/85/35/188378535.db2.gz NEXVSJHTRGIJPZ-UHFFFAOYSA-N -1 3 206.245 2.000 20 0 BEADHM CC(=O)[N-]OCCCOc1c(C)cccc1C ZINC000176858995 538117482 /nfs/dbraw/zinc/11/74/82/538117482.db2.gz GCVVADUVJRWTGP-UHFFFAOYSA-N -1 3 237.299 2.140 20 0 BEADHM O=C([O-])[C@H]1CC12CCN([C@H]1C=CCCC1)CC2 ZINC000405314581 353497250 /nfs/dbraw/zinc/49/72/50/353497250.db2.gz HZKLSVVHYIXGBB-NWDGAFQWSA-N -1 3 235.327 2.282 20 0 BEADHM CCO[C@@H]1C[C@@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000192808640 353570390 /nfs/dbraw/zinc/57/03/90/353570390.db2.gz HNJFWISRSLCBLS-JOYOIKCWSA-N -1 3 235.283 2.064 20 0 BEADHM O=C(c1ccccc1[O-])N1CC[C@@H]1C1CC1 ZINC000334523781 353892960 /nfs/dbraw/zinc/89/29/60/353892960.db2.gz AEYIRLCVDHHKBV-LLVKDONJSA-N -1 3 217.268 2.017 20 0 BEADHM O=C(c1ccccc1[O-])N1CC[C@H]1C1CC1 ZINC000334523793 353893633 /nfs/dbraw/zinc/89/36/33/353893633.db2.gz AEYIRLCVDHHKBV-NSHDSACASA-N -1 3 217.268 2.017 20 0 BEADHM O=C(c1c([O-])cccc1O)N1CC2(C1)CCCC2 ZINC000334590690 354221315 /nfs/dbraw/zinc/22/13/15/354221315.db2.gz NMVANVPXJYXJFQ-UHFFFAOYSA-N -1 3 247.294 2.114 20 0 BEADHM O=C(NCC1CC=CC1)c1ccccc1[O-] ZINC000529712404 324387053 /nfs/dbraw/zinc/38/70/53/324387053.db2.gz FPUADTACGJGAHC-UHFFFAOYSA-N -1 3 217.268 2.088 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@@H]2C2CC2)c([O-])c1 ZINC000334670953 354411913 /nfs/dbraw/zinc/41/19/13/354411913.db2.gz KQJURDRKITUMJB-GFCCVEGCSA-N -1 3 231.295 2.325 20 0 BEADHM CO[C@@H](C(=O)Nc1ccc([O-])cc1F)C(C)C ZINC000354605482 491064068 /nfs/dbraw/zinc/06/40/68/491064068.db2.gz YRDSAZBCERDBLF-LLVKDONJSA-N -1 3 241.262 2.141 20 0 BEADHM CC(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H]2C)cc1[O-] ZINC000334801293 354556317 /nfs/dbraw/zinc/55/63/17/354556317.db2.gz OCNVODDSUSZMOQ-QPUJVOFHSA-N -1 3 247.294 2.123 20 0 BEADHM CC(=O)c1ccc(C(=O)N[C@H]2CC[C@@H]2C)cc1[O-] ZINC000334801295 354556408 /nfs/dbraw/zinc/55/64/08/354556408.db2.gz OCNVODDSUSZMOQ-UFBFGSQYSA-N -1 3 247.294 2.123 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1C[C@]12CCOC2 ZINC000334803688 354559471 /nfs/dbraw/zinc/55/94/71/354559471.db2.gz JJYPXBQYWAUAHC-YGRLFVJLSA-N -1 3 247.294 2.066 20 0 BEADHM O=C(Nc1ncccc1[O-])[C@@H]1CCC[C@@H](F)C1 ZINC000335094508 354632838 /nfs/dbraw/zinc/63/28/38/354632838.db2.gz QJMFTZHPTLQGJS-RKDXNWHRSA-N -1 3 238.262 2.254 20 0 BEADHM O=C(c1cc([O-])ccc1Cl)N1CC(CF)C1 ZINC000335223829 355065151 /nfs/dbraw/zinc/06/51/51/355065151.db2.gz UXXSNNUYOZGJEI-UHFFFAOYSA-N -1 3 243.665 2.087 20 0 BEADHM CC(=O)c1[n-]c(=N[C@H]2CC2(C)C)sc1C ZINC000413503111 191385573 /nfs/dbraw/zinc/38/55/73/191385573.db2.gz OLVHMMCQZXWLLJ-QMMMGPOBSA-N -1 3 224.329 2.286 20 0 BEADHM C[C@H]1CCCN(C(=O)c2csc(=O)[n-]2)[C@H]1C ZINC000335786889 355437087 /nfs/dbraw/zinc/43/70/87/355437087.db2.gz JXPWQNZJMVNJJI-YUMQZZPRSA-N -1 3 240.328 2.109 20 0 BEADHM C[C@@H]1CCCCCN1C(=O)c1csc(=O)[n-]1 ZINC000335787476 355437772 /nfs/dbraw/zinc/43/77/72/355437772.db2.gz RCAOMVGOBGKJPZ-MRVPVSSYSA-N -1 3 240.328 2.253 20 0 BEADHM Cc1ccc(C(=O)Nc2nc(C)ccc2[O-])o1 ZINC000335815847 355505519 /nfs/dbraw/zinc/50/55/19/355505519.db2.gz VDMQVLROGAKXGW-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM CCCN(CCO)Cc1cccc([O-])c1Cl ZINC000350239667 355655057 /nfs/dbraw/zinc/65/50/57/355655057.db2.gz ITCBQNQKDQGIFD-UHFFFAOYSA-N -1 3 243.734 2.250 20 0 BEADHM Cc1c[nH]cc1C(=O)Nc1cccc([O-])c1F ZINC000335866242 355631171 /nfs/dbraw/zinc/63/11/71/355631171.db2.gz DAFTWCBHVJGVQH-UHFFFAOYSA-N -1 3 234.230 2.420 20 0 BEADHM C[C@H]1[C@H](C(=O)Nc2cccc([O-])c2F)C1(F)F ZINC000336027460 134057847 /nfs/dbraw/zinc/05/78/47/134057847.db2.gz OLPZTOWYFDMSTG-YLWLKBPMSA-N -1 3 245.200 2.371 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)n1 ZINC000351776110 356084827 /nfs/dbraw/zinc/08/48/27/356084827.db2.gz YKKORHRBZQVKIF-WDAIWFPHSA-N -1 3 246.310 2.470 20 0 BEADHM CC[C@H](C)CCNC(=O)c1ccc(O)cc1[O-] ZINC000617638958 356242879 /nfs/dbraw/zinc/24/28/79/356242879.db2.gz XDNZVNMNRKIUEZ-VIFPVBQESA-N -1 3 237.299 2.264 20 0 BEADHM CC[C@@H]1CCCN(C(=O)c2csc(=O)[n-]2)C1 ZINC000336346925 356345395 /nfs/dbraw/zinc/34/53/95/356345395.db2.gz MERBKKXTXGNDAI-MRVPVSSYSA-N -1 3 240.328 2.111 20 0 BEADHM Cc1ccc(C(=O)N2[C@H](C)C[C@H]2C)c([O-])c1 ZINC000336157959 134106638 /nfs/dbraw/zinc/10/66/38/134106638.db2.gz PUMYLYTYKZRWJT-NXEZZACHSA-N -1 3 219.284 2.324 20 0 BEADHM O=C(c1ccccc1[O-])N1CC(C(F)(F)F)C1 ZINC000336161354 134110984 /nfs/dbraw/zinc/11/09/84/134110984.db2.gz HYNGAYOKUFPNQR-UHFFFAOYSA-N -1 3 245.200 2.027 20 0 BEADHM CCn1cc(C(=O)Nc2c(C)cccc2[O-])cn1 ZINC000179549837 366269428 /nfs/dbraw/zinc/26/94/28/366269428.db2.gz CUBZTEXIVKZLRS-UHFFFAOYSA-N -1 3 245.282 2.169 20 0 BEADHM Cc1cc(C(=O)Nc2c(C)cccc2[O-])on1 ZINC000179554148 366269544 /nfs/dbraw/zinc/26/95/44/366269544.db2.gz ALNOCUWQIMACEV-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CC1(F)F ZINC000336186532 134121716 /nfs/dbraw/zinc/12/17/16/134121716.db2.gz XWIXIEZVBYZEJK-YFKPBYRVSA-N -1 3 231.173 2.125 20 0 BEADHM COCc1noc(/C=C/c2cccc([O-])c2)n1 ZINC000350569193 366300235 /nfs/dbraw/zinc/30/02/35/366300235.db2.gz RWCGTRDRDAFKMM-AATRIKPKSA-N -1 3 232.239 2.092 20 0 BEADHM CCc1ccc([O-])c(-c2nc(N(C)C)no2)c1 ZINC000350577173 366301564 /nfs/dbraw/zinc/30/15/64/366301564.db2.gz UNBHAGAOTKLRDM-UHFFFAOYSA-N -1 3 233.271 2.071 20 0 BEADHM CC[C@H](O)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000450410521 202158569 /nfs/dbraw/zinc/15/85/69/202158569.db2.gz VXSIIOCCMOUCST-QMMMGPOBSA-N -1 3 243.690 2.145 20 0 BEADHM CC[C@H](NC(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000324218237 356790129 /nfs/dbraw/zinc/79/01/29/356790129.db2.gz VVFVKMGZGQNLOU-NSHDSACASA-N -1 3 235.283 2.016 20 0 BEADHM O=C(CSC1CC1)Nc1ccc([O-])cc1F ZINC000450515872 202188329 /nfs/dbraw/zinc/18/83/29/202188329.db2.gz JHHYJUZKYIAWNH-UHFFFAOYSA-N -1 3 241.287 2.365 20 0 BEADHM [O-]c1cccc(CN2C[C@@H]3C[C@@H]3C2)c1Cl ZINC000628410153 357216031 /nfs/dbraw/zinc/21/60/31/357216031.db2.gz GYTIYEVOKYLNFG-AOOOYVTPSA-N -1 3 223.703 2.497 20 0 BEADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CCC(F)(F)F ZINC000397111227 357506462 /nfs/dbraw/zinc/50/64/62/357506462.db2.gz RRDVSLXVCWIXDE-HTQZYQBOSA-N -1 3 239.237 2.124 20 0 BEADHM Cc1cnccc1CNC(=O)c1cccc([O-])c1 ZINC000189338102 357633383 /nfs/dbraw/zinc/63/33/83/357633383.db2.gz DSPRHBDEIHPHFH-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM CC[C@@](C)(OC)C(=O)Nc1ccc([O-])cc1F ZINC000234002838 357768152 /nfs/dbraw/zinc/76/81/52/357768152.db2.gz HYYOETJEGJSEOX-GFCCVEGCSA-N -1 3 241.262 2.285 20 0 BEADHM C[C@@H]1CC[C@@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000235322001 357864948 /nfs/dbraw/zinc/86/49/48/357864948.db2.gz DPVZLKJCTRIMMH-RKDXNWHRSA-N -1 3 235.283 2.016 20 0 BEADHM C[C@@H]1C[C@H](C)CN(Cc2occc2C(=O)[O-])C1 ZINC000035432897 357992129 /nfs/dbraw/zinc/99/21/29/357992129.db2.gz RIFBVQQMNWTQKS-AOOOYVTPSA-N -1 3 237.299 2.456 20 0 BEADHM CCCCN(C)Cc1occc1C(=O)[O-] ZINC000035432950 357992364 /nfs/dbraw/zinc/99/23/64/357992364.db2.gz FKRXCZVXNLFBHI-UHFFFAOYSA-N -1 3 211.261 2.210 20 0 BEADHM CCCN(Cc1ccoc1C(=O)[O-])C1CC1 ZINC000037097529 358064705 /nfs/dbraw/zinc/06/47/05/358064705.db2.gz NMIKRTXBKRWDHB-UHFFFAOYSA-N -1 3 223.272 2.352 20 0 BEADHM CC(C)CN(C)Cc1ccc(C(=O)[O-])o1 ZINC000037108848 358065268 /nfs/dbraw/zinc/06/52/68/358065268.db2.gz PZXHRNPJYFHQKU-UHFFFAOYSA-N -1 3 211.261 2.066 20 0 BEADHM CCN(Cc1ccc(C(=O)[O-])o1)C(C)C ZINC000037082509 358065344 /nfs/dbraw/zinc/06/53/44/358065344.db2.gz RKWKUJUPMKRWCH-UHFFFAOYSA-N -1 3 211.261 2.208 20 0 BEADHM CCOc1nc2ccc(-c3nc(C)no3)cc2[n-]1 ZINC000351057189 358153210 /nfs/dbraw/zinc/15/32/10/358153210.db2.gz ZPRLUVOKHJVAPZ-UHFFFAOYSA-N -1 3 244.254 2.320 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CC2(C)C)c1 ZINC000044365817 358547907 /nfs/dbraw/zinc/54/79/07/358547907.db2.gz DGWNXIKOHYDGEB-LLVKDONJSA-N -1 3 219.284 2.229 20 0 BEADHM Cc1cnc(C(=O)[N-]c2c(F)cccc2F)cn1 ZINC000045829628 358566511 /nfs/dbraw/zinc/56/65/11/358566511.db2.gz UTPSHOFSKPYZTK-UHFFFAOYSA-N -1 3 249.220 2.316 20 0 BEADHM CC[C@@H](c1ccc(F)cc1F)N(C)CC(=O)[O-] ZINC000130151850 358610859 /nfs/dbraw/zinc/61/08/59/358610859.db2.gz QDZOWBPYERPDOP-NSHDSACASA-N -1 3 243.253 2.432 20 0 BEADHM CCc1ncc(C(=O)[N-]c2cc(C)on2)s1 ZINC000049174974 358673897 /nfs/dbraw/zinc/67/38/97/358673897.db2.gz NSORHPQUDFCLKW-UHFFFAOYSA-N -1 3 237.284 2.254 20 0 BEADHM O=C(CCc1ccccn1)Nc1ccccc1[O-] ZINC000049474953 358690172 /nfs/dbraw/zinc/69/01/72/358690172.db2.gz YTLRTSVVQBQVME-UHFFFAOYSA-N -1 3 242.278 2.359 20 0 BEADHM COc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@@H]2C)c1 ZINC000134989416 358814893 /nfs/dbraw/zinc/81/48/93/358814893.db2.gz VYDKXEHHSMYSQT-UWVGGRQHSA-N -1 3 249.310 2.271 20 0 BEADHM O=C1CC[C@@H](c2nc(-c3ccc([O-])cc3)no2)C1 ZINC000351358877 366514832 /nfs/dbraw/zinc/51/48/32/366514832.db2.gz FZOZBYLWTXWBTN-SECBINFHSA-N -1 3 244.250 2.279 20 0 BEADHM CC(=Cc1nc(-c2cc(=O)[n-]cn2)no1)C1CC1 ZINC000351367278 366517560 /nfs/dbraw/zinc/51/75/60/366517560.db2.gz ILGPEEFYXIACMZ-DAXSKMNVSA-N -1 3 244.254 2.046 20 0 BEADHM Cc1ncsc1CNC(=O)c1ccccc1[O-] ZINC000071213694 359073598 /nfs/dbraw/zinc/07/35/98/359073598.db2.gz VZMXNHHQAADPKI-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM Cc1ccncc1NC(=O)c1cccc([O-])c1 ZINC000071414404 359079503 /nfs/dbraw/zinc/07/95/03/359079503.db2.gz SUQCTKODMAXIEN-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H](C)[C@H]2C)n1 ZINC000246432288 359084451 /nfs/dbraw/zinc/08/44/51/359084451.db2.gz DFCYIMYARSCEME-GHMZBOCLSA-N -1 3 249.358 2.365 20 0 BEADHM CC1(C)CC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000286613952 359370015 /nfs/dbraw/zinc/37/00/15/359370015.db2.gz AACXWECUQMGMDY-NSHDSACASA-N -1 3 219.284 2.311 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1[C@@H](C)C[C@@H]1C ZINC000626726601 359584986 /nfs/dbraw/zinc/58/49/86/359584986.db2.gz VEGHJQBMNOVITM-UWVGGRQHSA-N -1 3 219.284 2.324 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC(C)(C)C(F)F ZINC000626736551 359594095 /nfs/dbraw/zinc/59/40/95/359594095.db2.gz RRLUNVQEKWEXLC-UHFFFAOYSA-N -1 3 243.253 2.474 20 0 BEADHM CCc1cccc(C(=O)N2C[C@@H]3C[C@@H]3C2)c1[O-] ZINC000628513461 359885375 /nfs/dbraw/zinc/88/53/75/359885375.db2.gz ALZDHRFLIISDDP-PHIMTYICSA-N -1 3 231.295 2.047 20 0 BEADHM O=C(NC[C@@H]1CCCS1)c1ccccc1[O-] ZINC000087503387 359917162 /nfs/dbraw/zinc/91/71/62/359917162.db2.gz SMWPQZOVQXQOHV-VIFPVBQESA-N -1 3 237.324 2.018 20 0 BEADHM C[C@H]1CCCC[C@@H]1NC(=O)Cc1cncc([O-])c1 ZINC000578564109 366600697 /nfs/dbraw/zinc/60/06/97/366600697.db2.gz HCGYANANNHMCRW-GWCFXTLKSA-N -1 3 248.326 2.025 20 0 BEADHM O=C(NC[C@@H]1CCCS1)c1cccc([O-])c1 ZINC000087669293 359923409 /nfs/dbraw/zinc/92/34/09/359923409.db2.gz UYOXRTDRCOHWQC-NSHDSACASA-N -1 3 237.324 2.018 20 0 BEADHM CSc1ccc([O-])c(C(=O)N2CC(C)C2)c1 ZINC000614026421 363709621 /nfs/dbraw/zinc/70/96/21/363709621.db2.gz QJOMFPLHSCRZJJ-UHFFFAOYSA-N -1 3 237.324 2.206 20 0 BEADHM O=C(Nc1ccncc1[O-])[C@H]1CCCC2(CC2)C1 ZINC000613086299 360347750 /nfs/dbraw/zinc/34/77/50/360347750.db2.gz KWWJBUMMUFCMAK-JTQLQIEISA-N -1 3 246.310 2.118 20 0 BEADHM O=C(c1cccc([O-])c1)N(C1CC1)C1CC1 ZINC000628819142 360674115 /nfs/dbraw/zinc/67/41/15/360674115.db2.gz DZJPHWOCPHMMPQ-UHFFFAOYSA-N -1 3 217.268 2.159 20 0 BEADHM COC1(c2noc(-c3ccccc3[O-])n2)CCC1 ZINC000169243153 219857544 /nfs/dbraw/zinc/85/75/44/219857544.db2.gz CJHVSYWOOZSADO-UHFFFAOYSA-N -1 3 246.266 2.468 20 0 BEADHM CCC[C@@H](C(=O)[O-])N1Cc2cccc(OC)c2C1 ZINC000629372795 361022262 /nfs/dbraw/zinc/02/22/62/361022262.db2.gz HTBQIHAPKHCPRX-LBPRGKRZSA-N -1 3 249.310 2.264 20 0 BEADHM [O-]c1ccc(Sc2ncc(F)cn2)cc1 ZINC000158606890 361205370 /nfs/dbraw/zinc/20/53/70/361205370.db2.gz TXWUQDBOAABCEH-UHFFFAOYSA-N -1 3 222.244 2.473 20 0 BEADHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cccc2n[n-]nc21 ZINC000640380612 361189328 /nfs/dbraw/zinc/18/93/28/361189328.db2.gz UZJBEJGIORDIEX-IUCAKERBSA-N -1 3 244.298 2.189 20 0 BEADHM O=C(Nc1cccc2n[n-]nc21)C1(CCF)CC1 ZINC000640380374 361189596 /nfs/dbraw/zinc/18/95/96/361189596.db2.gz ZALRAANQPXFZAJ-UHFFFAOYSA-N -1 3 248.261 2.036 20 0 BEADHM CC[C@H](C)CC(=O)Nc1cccc2n[n-]nc21 ZINC000640380432 361190004 /nfs/dbraw/zinc/19/00/04/361190004.db2.gz RSBSTDARHHNYSS-QMMMGPOBSA-N -1 3 232.287 2.333 20 0 BEADHM CCc1nc(C)c(C(=O)[N-]c2conc2C)o1 ZINC000640485823 361269941 /nfs/dbraw/zinc/26/99/41/361269941.db2.gz JTGGURBQDSJYIV-UHFFFAOYSA-N -1 3 235.243 2.094 20 0 BEADHM CCc1cc(=O)[n-]c(CN(C)[C@H]2CC[C@H](C)C2)n1 ZINC000429578527 201117793 /nfs/dbraw/zinc/11/77/93/201117793.db2.gz TVDUTFRVPIOONZ-JQWIXIFHSA-N -1 3 249.358 2.365 20 0 BEADHM Cc1noc([N-]C(=O)C(C)(C)OC(C)C)c1C ZINC000448548153 201209706 /nfs/dbraw/zinc/20/97/06/201209706.db2.gz NZBDUOLPGQCUPH-UHFFFAOYSA-N -1 3 240.303 2.434 20 0 BEADHM O=[S@@](CCC(F)(F)F)c1cccc([O-])c1 ZINC000435428927 201271913 /nfs/dbraw/zinc/27/19/13/201271913.db2.gz VHFQBPQWOUEGRL-HNNXBMFYSA-N -1 3 238.230 2.452 20 0 BEADHM Cc1cc(C(=O)NCC[C@@H](C)F)ccc1[O-] ZINC000436545275 201331539 /nfs/dbraw/zinc/33/15/39/201331539.db2.gz NEDOWHSDBZCWQU-SECBINFHSA-N -1 3 225.263 2.179 20 0 BEADHM C[C@@H](c1ccco1)N(C)CCCC(=O)[O-] ZINC000082250029 361694751 /nfs/dbraw/zinc/69/47/51/361694751.db2.gz LLOFWQDUVZSSTQ-VIFPVBQESA-N -1 3 211.261 2.137 20 0 BEADHM Cc1cc(C(=O)Nc2c(C)cccc2[O-])cnn1 ZINC000436841776 201337846 /nfs/dbraw/zinc/33/78/46/201337846.db2.gz VDCFHPKPVQASTJ-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM CC[C@@H](C)N(C)C(=O)c1ccc(OC)cc1[O-] ZINC000037023552 363854620 /nfs/dbraw/zinc/85/46/20/363854620.db2.gz IDEGZRCTVQILJB-SECBINFHSA-N -1 3 237.299 2.271 20 0 BEADHM CCCCCS(=O)(=O)c1ncc(C(C)C)[n-]1 ZINC000630431273 364158980 /nfs/dbraw/zinc/15/89/80/364158980.db2.gz XLGNALYRLYSJSA-UHFFFAOYSA-N -1 3 244.360 2.497 20 0 BEADHM CCCCCS(=O)(=O)c1nc(C(C)C)c[n-]1 ZINC000630431273 364158988 /nfs/dbraw/zinc/15/89/88/364158988.db2.gz XLGNALYRLYSJSA-UHFFFAOYSA-N -1 3 244.360 2.497 20 0 BEADHM Cc1ccc(NC(=O)CC2CSC2)c([O-])c1 ZINC000630438888 364167664 /nfs/dbraw/zinc/16/76/64/364167664.db2.gz DAECUTFRCCQPKA-UHFFFAOYSA-N -1 3 237.324 2.392 20 0 BEADHM CCc1cccc(C(=O)N(C)C2CC2)c1[O-] ZINC000081757494 364546821 /nfs/dbraw/zinc/54/68/21/364546821.db2.gz QOSANARVWRZUML-UHFFFAOYSA-N -1 3 219.284 2.189 20 0 BEADHM CC1(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CC1 ZINC000615134099 364513881 /nfs/dbraw/zinc/51/38/81/364513881.db2.gz SWMIQHDKQNYYCD-UHFFFAOYSA-N -1 3 245.282 2.397 20 0 BEADHM C[C@@H]1C[C@@H](C(=O)Nc2ccccc2[O-])[C@@H](C)O1 ZINC000630796214 364561279 /nfs/dbraw/zinc/56/12/79/364561279.db2.gz LJNVEVAJJAIXCS-OPRDCNLKSA-N -1 3 235.283 2.144 20 0 BEADHM O=C(NCCF)c1cc([O-])c2ccccc2c1 ZINC000336011813 541424346 /nfs/dbraw/zinc/42/43/46/541424346.db2.gz BRIRRPDHVPTHRB-UHFFFAOYSA-N -1 3 233.242 2.245 20 0 BEADHM COc1ccc([O-])c(C(=O)N2[C@H](C)CC[C@@H]2C)c1 ZINC000162174148 541446881 /nfs/dbraw/zinc/44/68/81/541446881.db2.gz HFGFQCPEDKUKMI-AOOOYVTPSA-N -1 3 249.310 2.414 20 0 BEADHM CCC(C)(C)CNC(=O)c1cccc2nn[n-]c21 ZINC000192226428 365286365 /nfs/dbraw/zinc/28/63/65/365286365.db2.gz SISRWKRJMATUCW-UHFFFAOYSA-N -1 3 246.314 2.124 20 0 BEADHM CCC(C)(C)CNC(=O)c1cccc2[n-]nnc21 ZINC000192226428 365286370 /nfs/dbraw/zinc/28/63/70/365286370.db2.gz SISRWKRJMATUCW-UHFFFAOYSA-N -1 3 246.314 2.124 20 0 BEADHM CCC(C)(C)CNC(=O)c1cccc2n[n-]nc21 ZINC000192226428 365286375 /nfs/dbraw/zinc/28/63/75/365286375.db2.gz SISRWKRJMATUCW-UHFFFAOYSA-N -1 3 246.314 2.124 20 0 BEADHM CN(Cc1ccsc1C(=O)[O-])CC1CC1 ZINC000082501681 541460699 /nfs/dbraw/zinc/46/06/99/541460699.db2.gz ZYXOFCFNKLTSSP-UHFFFAOYSA-N -1 3 225.313 2.288 20 0 BEADHM Cc1nc(C)c(CN(C)[C@H](C)CC(=O)[O-])s1 ZINC000576054226 365467227 /nfs/dbraw/zinc/46/72/27/365467227.db2.gz UWFTTZZSTCZGIC-SSDOTTSWSA-N -1 3 242.344 2.055 20 0 BEADHM CC1=C(C)C[C@H](C(=O)Nc2ccncc2[O-])CC1 ZINC000576162216 365506227 /nfs/dbraw/zinc/50/62/27/365506227.db2.gz BFYNQTRZDLOZOR-LLVKDONJSA-N -1 3 246.310 2.284 20 0 BEADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1cccc([O-])c1 ZINC000182598957 366921283 /nfs/dbraw/zinc/92/12/83/366921283.db2.gz WFQCXPYJVNQTCY-NXEZZACHSA-N -1 3 219.284 2.405 20 0 BEADHM C[C@H]1SCCN(Cc2ncccc2[O-])[C@@H]1C ZINC000579764341 367002139 /nfs/dbraw/zinc/00/21/39/367002139.db2.gz UWBISNDXGDUXBW-NXEZZACHSA-N -1 3 238.356 2.113 20 0 BEADHM Cc1[nH]ccc1C(=O)Nc1ccc([O-])cc1F ZINC000183273664 367008253 /nfs/dbraw/zinc/00/82/53/367008253.db2.gz RDFYKLGHUPVGAC-UHFFFAOYSA-N -1 3 234.230 2.420 20 0 BEADHM O=C([O-])c1cnccc1N1CCC2(CCC2)C1 ZINC000380411796 367205245 /nfs/dbraw/zinc/20/52/45/367205245.db2.gz BLNGNUKUKABEGP-UHFFFAOYSA-N -1 3 232.283 2.160 20 0 BEADHM CCOc1cc(C(=O)Nc2ccccc2[O-])on1 ZINC000622322657 370848906 /nfs/dbraw/zinc/84/89/06/370848906.db2.gz ZRTMAVCHPYNXBM-UHFFFAOYSA-N -1 3 248.238 2.031 20 0 BEADHM CN(CCC1CC1)Cc1cc(C(=O)[O-])co1 ZINC000381382508 367391105 /nfs/dbraw/zinc/39/11/05/367391105.db2.gz LABFXVDADVVFKZ-UHFFFAOYSA-N -1 3 223.272 2.210 20 0 BEADHM CCn1ccnc1NC(=O)c1cc(C)ccc1[O-] ZINC000382386588 367513461 /nfs/dbraw/zinc/51/34/61/367513461.db2.gz MVTIKBSVWQGXLF-UHFFFAOYSA-N -1 3 245.282 2.169 20 0 BEADHM CC/C=C\CNCc1nc(C)ccc1[O-] ZINC000384734116 367723063 /nfs/dbraw/zinc/72/30/63/367723063.db2.gz KJLWPQWFGROQNW-PLNGDYQASA-N -1 3 206.289 2.151 20 0 BEADHM O=C(N[C@H]1CC12CCCC2)c1ccc(O)cc1[O-] ZINC000387330613 368156138 /nfs/dbraw/zinc/15/61/38/368156138.db2.gz SCCULXMLDVORJF-LBPRGKRZSA-N -1 3 247.294 2.160 20 0 BEADHM O=C(N[C@@H]1CC12CCCC2)c1c([O-])cccc1O ZINC000387392360 368165958 /nfs/dbraw/zinc/16/59/58/368165958.db2.gz ZVJOIGPMKCZVCV-LLVKDONJSA-N -1 3 247.294 2.160 20 0 BEADHM CCO[N-]C(=O)/C=C/c1c(F)cccc1F ZINC000068063021 368712065 /nfs/dbraw/zinc/71/20/65/368712065.db2.gz XITRXXDZLLLGER-VOTSOKGWSA-N -1 3 227.210 2.046 20 0 BEADHM CCO[N-]C(=O)C[C@@H](C)c1ccccc1 ZINC000068744632 368733692 /nfs/dbraw/zinc/73/36/92/368733692.db2.gz VMQPNJPGVZZYHL-SNVBAGLBSA-N -1 3 207.273 2.248 20 0 BEADHM O=C([O-])c1cnccc1NC[C@@H]1CCCS1 ZINC000088109974 368904579 /nfs/dbraw/zinc/90/45/79/368904579.db2.gz GYHUWFYGHFLUAR-QMMMGPOBSA-N -1 3 238.312 2.087 20 0 BEADHM C[C@@H]1CCC(C)(C)N1C(=O)c1csc(=O)[n-]1 ZINC000616164669 368999640 /nfs/dbraw/zinc/99/96/40/368999640.db2.gz FQHKLIJTTCGBAJ-SSDOTTSWSA-N -1 3 240.328 2.252 20 0 BEADHM C[C@@H]1CCC(C)(C)N1C(=O)Cc1cncc([O-])c1 ZINC000616166291 369003372 /nfs/dbraw/zinc/00/33/72/369003372.db2.gz WZKZOKONBASWSZ-SNVBAGLBSA-N -1 3 248.326 2.119 20 0 BEADHM CC(C)CN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000116112322 369021807 /nfs/dbraw/zinc/02/18/07/369021807.db2.gz GVRXBVOPWVPILL-UHFFFAOYSA-N -1 3 233.311 2.399 20 0 BEADHM C[C@H](CC(F)(F)F)C(=O)Nc1ncccc1[O-] ZINC000457718963 203093152 /nfs/dbraw/zinc/09/31/52/203093152.db2.gz VKHSVULSMMYERG-ZCFIWIBFSA-N -1 3 248.204 2.314 20 0 BEADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2C(C)C)ccc1[O-] ZINC000458121230 203136819 /nfs/dbraw/zinc/13/68/19/203136819.db2.gz ZOVOHHUXDGNXGV-NWDGAFQWSA-N -1 3 233.311 2.475 20 0 BEADHM C[C@H]1CCCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459304815 203252112 /nfs/dbraw/zinc/25/21/12/203252112.db2.gz MDTYKLLFAZIADW-JTQLQIEISA-N -1 3 247.342 2.434 20 0 BEADHM CCOC1(C)CN(Cc2cc([O-])cc(F)c2)C1 ZINC000459620651 203318883 /nfs/dbraw/zinc/31/88/83/203318883.db2.gz MJFJISPQWNUMKH-UHFFFAOYSA-N -1 3 239.290 2.142 20 0 BEADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1ccn(C)n1 ZINC000459757243 203358789 /nfs/dbraw/zinc/35/87/89/203358789.db2.gz PULFDPHMLGSVQZ-SECBINFHSA-N -1 3 249.289 2.116 20 0 BEADHM COc1cc(C(=O)NCC2=CCCC2)ccc1[O-] ZINC000620007326 369664046 /nfs/dbraw/zinc/66/40/46/369664046.db2.gz WBRPOEKNYUJIOR-UHFFFAOYSA-N -1 3 247.294 2.241 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)C(F)(F)F ZINC000627304916 369850623 /nfs/dbraw/zinc/85/06/23/369850623.db2.gz IVYGZCRLYBXADJ-ZETCQYMHSA-N -1 3 247.216 2.381 20 0 BEADHM Cc1ccc(C(=O)N2CC3CC2(C)C3)c([O-])c1 ZINC000621215470 370160491 /nfs/dbraw/zinc/16/04/91/370160491.db2.gz FZABNKSCSSXMCC-UHFFFAOYSA-N -1 3 231.295 2.325 20 0 BEADHM CCCCN(CC)C(=O)c1cc(F)c[n-]c1=O ZINC000621320726 370247894 /nfs/dbraw/zinc/24/78/94/370247894.db2.gz YMEUKOKJAUOSRL-UHFFFAOYSA-N -1 3 240.278 2.189 20 0 BEADHM CCc1cc(NC(=O)c2ccc(C)cc2[O-])n[nH]1 ZINC000076428293 370287310 /nfs/dbraw/zinc/28/73/10/370287310.db2.gz NSORUJZBXJKFPO-UHFFFAOYSA-N -1 3 245.282 2.238 20 0 BEADHM CC(C)N(CC(=O)[O-])Cc1cncc(Cl)c1 ZINC000621773905 370519104 /nfs/dbraw/zinc/51/91/04/370519104.db2.gz GAKQRWYDZFAANC-UHFFFAOYSA-N -1 3 242.706 2.030 20 0 BEADHM CC[C@H](C)CN(C)C(=O)c1cc(F)c[n-]c1=O ZINC000621864353 370570914 /nfs/dbraw/zinc/57/09/14/370570914.db2.gz ZPGRQNPKXMVTRR-QMMMGPOBSA-N -1 3 240.278 2.044 20 0 BEADHM Cc1cccc([O-])c1C(=O)NCC1CCC1 ZINC000624021166 371254024 /nfs/dbraw/zinc/25/40/24/371254024.db2.gz FEFDMQLVQPACGX-UHFFFAOYSA-N -1 3 219.284 2.231 20 0 BEADHM CC[C@H]1CCN1C(=O)c1c(C)cccc1[O-] ZINC000627509093 371669009 /nfs/dbraw/zinc/66/90/09/371669009.db2.gz KVFKJVAPZMBFLW-JTQLQIEISA-N -1 3 219.284 2.325 20 0 BEADHM Cc1ccoc1CN1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000304359588 371783155 /nfs/dbraw/zinc/78/31/55/371783155.db2.gz HVIAGZIGJPHYFA-GHMZBOCLSA-N -1 3 237.299 2.131 20 0 BEADHM CC(C)c1cc(NC(=O)c2cccc([O-])c2)n[nH]1 ZINC000228364811 372020732 /nfs/dbraw/zinc/02/07/32/372020732.db2.gz YDLPIGAFBIVEER-UHFFFAOYSA-N -1 3 245.282 2.491 20 0 BEADHM O=C(CSC1CC1)Nc1ccccc1[O-] ZINC000294383591 182007661 /nfs/dbraw/zinc/00/76/61/182007661.db2.gz CSSAKSJGMXKEQA-UHFFFAOYSA-N -1 3 223.297 2.226 20 0 BEADHM O=C(CSC1CC1)Nc1cc(F)ccc1[O-] ZINC000295134007 182008328 /nfs/dbraw/zinc/00/83/28/182008328.db2.gz IIXNSBHLRCYVPN-UHFFFAOYSA-N -1 3 241.287 2.365 20 0 BEADHM O=C(C[C@H]1C=CCC1)Nc1ccncc1[O-] ZINC000109890890 182024552 /nfs/dbraw/zinc/02/45/52/182024552.db2.gz DFVMDMDVOMIMCP-VIFPVBQESA-N -1 3 218.256 2.082 20 0 BEADHM O=C(Cc1ccco1)Nc1ccccc1[O-] ZINC000169821583 182050735 /nfs/dbraw/zinc/05/07/35/182050735.db2.gz PZURDJIKWYZWRZ-UHFFFAOYSA-N -1 3 217.224 2.166 20 0 BEADHM O=C(N=c1cco[n-]1)NCC1CCCCCC1 ZINC000331544777 182086775 /nfs/dbraw/zinc/08/67/75/182086775.db2.gz QXUMLNKNCNWPJQ-UHFFFAOYSA-N -1 3 237.303 2.188 20 0 BEADHM O=C([N-]C1(c2ccccc2F)CC1)C(F)F ZINC000278540393 182092691 /nfs/dbraw/zinc/09/26/91/182092691.db2.gz CEEFMNGQNAWWOD-UHFFFAOYSA-N -1 3 229.201 2.196 20 0 BEADHM Cc1cccc(C(=O)N2CC[C@@H]2C(F)F)c1[O-] ZINC000633230082 373376231 /nfs/dbraw/zinc/37/62/31/373376231.db2.gz KLNJORXMUKMEDR-SECBINFHSA-N -1 3 241.237 2.180 20 0 BEADHM O=C(CCCCO)Nc1c([O-])cccc1Cl ZINC000633200989 373338376 /nfs/dbraw/zinc/33/83/76/373338376.db2.gz IOOVXJZDYWGLQS-UHFFFAOYSA-N -1 3 243.690 2.147 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CC[C@H]2C(F)F)c1 ZINC000633231458 373377649 /nfs/dbraw/zinc/37/76/49/373377649.db2.gz SHLGNESHTXGVNR-VIFPVBQESA-N -1 3 241.237 2.180 20 0 BEADHM O=C(NCC1(C2CC2)CC1)c1cccc([O-])c1 ZINC000182891478 182127523 /nfs/dbraw/zinc/12/75/23/182127523.db2.gz SHZUDFKRBBCDAP-UHFFFAOYSA-N -1 3 231.295 2.312 20 0 BEADHM O=C(NCC1CCCC1)c1c([O-])cccc1O ZINC000228855413 182146993 /nfs/dbraw/zinc/14/69/93/182146993.db2.gz HJGBYYKSFODHBA-UHFFFAOYSA-N -1 3 235.283 2.018 20 0 BEADHM O=C(NCCC1=CCCC1)c1c([O-])cccc1O ZINC000092126050 182151966 /nfs/dbraw/zinc/15/19/66/182151966.db2.gz XFDPTRBCOKQVJQ-UHFFFAOYSA-N -1 3 247.294 2.328 20 0 BEADHM O=C([N-]CCCNc1ccccc1)C(F)(F)F ZINC000264667336 182169486 /nfs/dbraw/zinc/16/94/86/182169486.db2.gz KFPJFRTULAGYTB-UHFFFAOYSA-N -1 3 246.232 2.167 20 0 BEADHM CCCCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000154902661 168850909 /nfs/dbraw/zinc/85/09/09/168850909.db2.gz XKKOYVXCLIQRAR-UHFFFAOYSA-N -1 3 240.278 2.131 20 0 BEADHM O=C(NCCc1ccccc1)c1cccc([O-])c1 ZINC000019839375 182204183 /nfs/dbraw/zinc/20/41/83/182204183.db2.gz LBSJFMRKJWTRTF-UHFFFAOYSA-N -1 3 241.290 2.365 20 0 BEADHM O=C(NCc1ccccc1)c1ccc(O)cc1[O-] ZINC000007608841 182256596 /nfs/dbraw/zinc/25/65/96/182256596.db2.gz HNGRTCTZIWLUED-UHFFFAOYSA-N -1 3 243.262 2.028 20 0 BEADHM O=C(NCc1ncccc1[O-])C1CCCCCC1 ZINC000336527048 182273948 /nfs/dbraw/zinc/27/39/48/182273948.db2.gz NTXXBGZKUXRIQY-UHFFFAOYSA-N -1 3 248.326 2.374 20 0 BEADHM O=C([N-]OCC1CC1)Nc1cccc(F)c1 ZINC000292312760 182281325 /nfs/dbraw/zinc/28/13/25/182281325.db2.gz LLHUTEHUGVKQFR-UHFFFAOYSA-N -1 3 224.235 2.289 20 0 BEADHM O=C([N-]OCC1CC1)Nc1ccsc1 ZINC000292902374 182281833 /nfs/dbraw/zinc/28/18/33/182281833.db2.gz ZRLQVWDGPLGXHS-UHFFFAOYSA-N -1 3 212.274 2.211 20 0 BEADHM O=C([N-]OCc1cccnc1)C1=CCCCC1 ZINC000155133170 182284767 /nfs/dbraw/zinc/28/47/67/182284767.db2.gz GHZNVFVWRDOKGR-UHFFFAOYSA-N -1 3 232.283 2.130 20 0 BEADHM O=C([N-][C@H]1CCc2cc(F)ccc21)C(F)F ZINC000278384546 182341408 /nfs/dbraw/zinc/34/14/08/182341408.db2.gz DEEQWQQAMFEAHU-VIFPVBQESA-N -1 3 229.201 2.194 20 0 BEADHM O=C([N-]c1cnoc1)c1ccc(F)c(F)c1 ZINC000075170820 182397066 /nfs/dbraw/zinc/39/70/66/182397066.db2.gz MIACPEPXRGLADI-UHFFFAOYSA-N -1 3 224.166 2.205 20 0 BEADHM CCC(C)(C)CNC(=O)/C=C/c1cncc([O-])c1 ZINC000192224064 259584264 /nfs/dbraw/zinc/58/42/64/259584264.db2.gz CUTZOCGBULIDCM-AATRIKPKSA-N -1 3 248.326 2.353 20 0 BEADHM [O-]c1cccc(CN2CCC[C@@H]2CO)c1Cl ZINC000294915973 183150683 /nfs/dbraw/zinc/15/06/83/183150683.db2.gz NSBHVXVZMNWCEU-SNVBAGLBSA-N -1 3 241.718 2.002 20 0 BEADHM CCCN(CC)C(=O)c1ccccc1[O-] ZINC000037023371 169119606 /nfs/dbraw/zinc/11/96/06/169119606.db2.gz MRFGDMLFHATCQS-UHFFFAOYSA-N -1 3 207.273 2.264 20 0 BEADHM [O-]c1ccc(F)c(CN[C@@H]2CCSC2)c1F ZINC000293634653 183272803 /nfs/dbraw/zinc/27/28/03/183272803.db2.gz NJUDXSPPYCIEIE-SSDOTTSWSA-N -1 3 245.294 2.266 20 0 BEADHM [O-]c1cccc(CN2CCC[C@H](O)C2)c1Cl ZINC000294855302 183289502 /nfs/dbraw/zinc/28/95/02/183289502.db2.gz JCESREAPSYDLJW-JTQLQIEISA-N -1 3 241.718 2.002 20 0 BEADHM CCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000013938523 169272307 /nfs/dbraw/zinc/27/23/07/169272307.db2.gz JGEUFWRDRFTSIC-UHFFFAOYSA-N -1 3 239.749 2.090 20 0 BEADHM CCC[C@H](OC)C(=O)Nc1c(C)cccc1[O-] ZINC000294959825 169521995 /nfs/dbraw/zinc/52/19/95/169521995.db2.gz NIPGBTPETZWRDZ-NSHDSACASA-N -1 3 237.299 2.454 20 0 BEADHM CCO[N-]C(=O)CCCc1ccccc1 ZINC000070285084 383907015 /nfs/dbraw/zinc/90/70/15/383907015.db2.gz BUGNUJFHXIFMHR-UHFFFAOYSA-N -1 3 207.273 2.077 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@H]2CC[C@@H]2C)c1 ZINC000309372661 383920517 /nfs/dbraw/zinc/92/05/17/383920517.db2.gz BLKZBDOXLXAYPK-ONGXEEELSA-N -1 3 219.284 2.229 20 0 BEADHM [O-]c1ccc(F)cc1-c1nc([C@@H]2CCCN2)no1 ZINC000647147686 383883518 /nfs/dbraw/zinc/88/35/18/383883518.db2.gz XTDGNZSELQIVEJ-VIFPVBQESA-N -1 3 249.245 2.006 20 0 BEADHM O=C([O-])CCN(Cc1ccccc1F)C1CC1 ZINC000037395217 383973014 /nfs/dbraw/zinc/97/30/14/383973014.db2.gz MTGFTFDVQHVOLR-UHFFFAOYSA-N -1 3 237.274 2.265 20 0 BEADHM CCC1(CC)CN(C(=O)c2c([O-])cccc2O)C1 ZINC000295636326 384021454 /nfs/dbraw/zinc/02/14/54/384021454.db2.gz QHUXRYZYXUATQX-UHFFFAOYSA-N -1 3 249.310 2.360 20 0 BEADHM O=C(CSC1CC1)Nc1cccc([O-])c1F ZINC000569435261 384023012 /nfs/dbraw/zinc/02/30/12/384023012.db2.gz DQJFXEHMCCFBKD-UHFFFAOYSA-N -1 3 241.287 2.365 20 0 BEADHM CCO[N-]C(=O)CCCOc1ccc(F)cc1 ZINC000070275697 384096770 /nfs/dbraw/zinc/09/67/70/384096770.db2.gz DLPFOOXXMYWZHN-UHFFFAOYSA-N -1 3 241.262 2.052 20 0 BEADHM CCO[N-]C(=O)Cc1ccc2c(c1)CCCC2 ZINC000070273498 384097074 /nfs/dbraw/zinc/09/70/74/384097074.db2.gz PNLXEQSKRZWNAN-UHFFFAOYSA-N -1 3 233.311 2.176 20 0 BEADHM CCc1cccc(NC(=O)[N-]c2ncnn2C)c1 ZINC000091185011 384106197 /nfs/dbraw/zinc/10/61/97/384106197.db2.gz YGQMDPGSDNNVDY-UHFFFAOYSA-N -1 3 245.286 2.022 20 0 BEADHM CCC1(CNC(=O)c2c([O-])cccc2O)CC1 ZINC000092124121 384165694 /nfs/dbraw/zinc/16/56/94/384165694.db2.gz LMCFABVFAQNSEP-UHFFFAOYSA-N -1 3 235.283 2.018 20 0 BEADHM CC(C)C1(NC(=O)c2ccc(O)cc2[O-])CC1 ZINC000294019974 384192394 /nfs/dbraw/zinc/19/23/94/384192394.db2.gz VPGNWOYMEUVOCM-UHFFFAOYSA-N -1 3 235.283 2.016 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC2(C)CCC2)c1 ZINC000093246218 384223483 /nfs/dbraw/zinc/22/34/83/384223483.db2.gz LMBPVJNAUVVSGA-UHFFFAOYSA-N -1 3 219.284 2.373 20 0 BEADHM COC1(CCNC(=O)c2ccccc2[O-])CCC1 ZINC000294042736 384244478 /nfs/dbraw/zinc/24/44/78/384244478.db2.gz PAMCPAHKTGWODU-UHFFFAOYSA-N -1 3 249.310 2.081 20 0 BEADHM CC(F)(F)CNCc1c(F)ccc([O-])c1F ZINC000560595460 384247558 /nfs/dbraw/zinc/24/75/58/384247558.db2.gz JALSXNUIBZOSJQ-UHFFFAOYSA-N -1 3 237.196 2.415 20 0 BEADHM CC[C@@H](C)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000179467809 384291559 /nfs/dbraw/zinc/29/15/59/384291559.db2.gz KOSXBODEQKIPLV-BRAIEQGRSA-N -1 3 234.299 2.057 20 0 BEADHM O=C(c1ccc(O)cc1[O-])N1CC[C@H]2CCC[C@@H]21 ZINC000334250160 384411648 /nfs/dbraw/zinc/41/16/48/384411648.db2.gz YZXVYLIWGNSFEV-SKDRFNHKSA-N -1 3 247.294 2.112 20 0 BEADHM [O-]c1cccnc1CSC[C@@H]1CCCO1 ZINC000521371916 384428620 /nfs/dbraw/zinc/42/86/20/384428620.db2.gz PYHVYPCDVXLCFF-VIFPVBQESA-N -1 3 225.313 2.199 20 0 BEADHM C[C@@H](NC(=O)c1ccccc1[O-])C(C)(F)F ZINC000335659554 384464877 /nfs/dbraw/zinc/46/48/77/384464877.db2.gz ZRPSUUURDWHWIW-SSDOTTSWSA-N -1 3 229.226 2.166 20 0 BEADHM C[C@@H]1C[C@@H](NCc2cccc([O-])c2Cl)CO1 ZINC000335664620 384478403 /nfs/dbraw/zinc/47/84/03/384478403.db2.gz UVQJHHDZKSLWML-PSASIEDQSA-N -1 3 241.718 2.313 20 0 BEADHM CCC(C)(C)NC(=O)/C=C\c1cncc([O-])c1 ZINC000255359478 384491967 /nfs/dbraw/zinc/49/19/67/384491967.db2.gz XYKAXAHWGNRHIV-WAYWQWQTSA-N -1 3 234.299 2.105 20 0 BEADHM C[C@@H]1CCC[C@@H](NC(=O)Cc2cncc([O-])c2)C1 ZINC000561136295 384523539 /nfs/dbraw/zinc/52/35/39/384523539.db2.gz VCZRTOGVSBLCIP-ZYHUDNBSSA-N -1 3 248.326 2.025 20 0 BEADHM O=C(N=c1cc2ccccn2[n-]1)c1ccccc1 ZINC000561153035 384532643 /nfs/dbraw/zinc/53/26/43/384532643.db2.gz BROXSHKUGPUKPB-UHFFFAOYSA-N -1 3 237.262 2.009 20 0 BEADHM Cc1ccc(C(=O)NC2CCCC2)c([O-])c1 ZINC000019837250 384543972 /nfs/dbraw/zinc/54/39/72/384543972.db2.gz DMJDLBSAHGZURC-UHFFFAOYSA-N -1 3 219.284 2.373 20 0 BEADHM CCOCc1cccc(NC(=O)[N-]OCC)c1 ZINC000183990946 384546191 /nfs/dbraw/zinc/54/61/91/384546191.db2.gz LKELJFUGXZLITG-UHFFFAOYSA-N -1 3 238.287 2.296 20 0 BEADHM C[C@H](c1ccccn1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000518769443 384614250 /nfs/dbraw/zinc/61/42/50/384614250.db2.gz VKTZMHGVYFCYHB-UTUOFQBUSA-N -1 3 248.326 2.185 20 0 BEADHM O=C(NC(C1CC1)C1CC1)c1cccc([O-])c1 ZINC000042238047 384635268 /nfs/dbraw/zinc/63/52/68/384635268.db2.gz IQGDASKQNLGSEI-UHFFFAOYSA-N -1 3 231.295 2.311 20 0 BEADHM C[C@@H](C(=O)[O-])N(C)Cc1cc(Cl)cs1 ZINC000086334800 384640827 /nfs/dbraw/zinc/64/08/27/384640827.db2.gz IRQDAQUIDACUSO-LURJTMIESA-N -1 3 233.720 2.306 20 0 BEADHM CC[C@@H](C)CNC(=O)c1cccc(C)c1[O-] ZINC000054475144 384733431 /nfs/dbraw/zinc/73/34/31/384733431.db2.gz ZKABULKSEGUJLD-SECBINFHSA-N -1 3 221.300 2.477 20 0 BEADHM CCc1cc(NCc2cc([O-])cc(F)c2)n(C)n1 ZINC000185571070 384740923 /nfs/dbraw/zinc/74/09/23/384740923.db2.gz HQKLVOIMZXMJNH-UHFFFAOYSA-N -1 3 249.289 2.439 20 0 BEADHM CCO[N-]C(=O)C[C@@H](C)c1ccccc1OC ZINC000103066699 384746531 /nfs/dbraw/zinc/74/65/31/384746531.db2.gz QYOFPCIOXVJBEQ-SNVBAGLBSA-N -1 3 237.299 2.257 20 0 BEADHM CN(Cc1cc(C(=O)[O-])co1)CC1CCC1 ZINC000061479562 384756575 /nfs/dbraw/zinc/75/65/75/384756575.db2.gz CXKXVGBNSSJHOS-UHFFFAOYSA-N -1 3 223.272 2.210 20 0 BEADHM CC1(C2(NC(=O)c3ccc(O)cc3[O-])CC2)CC1 ZINC000334747356 384811829 /nfs/dbraw/zinc/81/18/29/384811829.db2.gz DFBLECNZOWATBI-UHFFFAOYSA-N -1 3 247.294 2.160 20 0 BEADHM C[C@@H]1C[C@@H](NC(=O)c2cccc([O-])c2)CS1 ZINC000335261210 384879709 /nfs/dbraw/zinc/87/97/09/384879709.db2.gz QHJONPKADFHSFI-PSASIEDQSA-N -1 3 237.324 2.016 20 0 BEADHM CCCCCCNC(=O)/C=C\c1cncc([O-])c1 ZINC000255660741 384917835 /nfs/dbraw/zinc/91/78/35/384917835.db2.gz AMNMLLDDKLIRCA-SREVYHEPSA-N -1 3 248.326 2.497 20 0 BEADHM CCc1cc(=O)[n-]c(CSCCCOC)n1 ZINC000187854489 384989381 /nfs/dbraw/zinc/98/93/81/384989381.db2.gz RMHBBTGQYNREDI-UHFFFAOYSA-N -1 3 242.344 2.014 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCCC(C)(F)F)c1 ZINC000294142785 384997527 /nfs/dbraw/zinc/99/75/27/384997527.db2.gz GOXCYYXZYVFTNE-UHFFFAOYSA-N -1 3 243.253 2.476 20 0 BEADHM CC(C)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000086402542 385015130 /nfs/dbraw/zinc/01/51/30/385015130.db2.gz RNDQPWLROLPMDM-UHFFFAOYSA-N -1 3 240.278 2.081 20 0 BEADHM CCN(C)C(=O)[C@@H](C)[N-]c1nc2ccccc2o1 ZINC000188510697 385064411 /nfs/dbraw/zinc/06/44/11/385064411.db2.gz WACOJIAQYILEPO-SECBINFHSA-N -1 3 247.298 2.107 20 0 BEADHM C[C@@H](c1ccccn1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086757519 385043040 /nfs/dbraw/zinc/04/30/40/385043040.db2.gz ZDNSELALHORWSZ-NWDGAFQWSA-N -1 3 248.326 2.329 20 0 BEADHM CC[C@H](Nc1ccnc2ccc(C)cc21)C(=O)[O-] ZINC000647458527 385044449 /nfs/dbraw/zinc/04/44/49/385044449.db2.gz LZFXKKAUNMUXMH-NSHDSACASA-N -1 3 244.294 2.240 20 0 BEADHM C[C@@]1(C(=O)Nc2cc(F)ccc2[O-])CCCO1 ZINC000151341335 385103904 /nfs/dbraw/zinc/10/39/04/385103904.db2.gz KTNMVEZQCXWFJI-LBPRGKRZSA-N -1 3 239.246 2.039 20 0 BEADHM O=C(CCC1CCC1)[N-]OCc1cccnc1 ZINC000152446466 385185903 /nfs/dbraw/zinc/18/59/03/385185903.db2.gz MBNLNPJCMDHKAO-UHFFFAOYSA-N -1 3 234.299 2.210 20 0 BEADHM CC[C@@H](C)CC(=O)Nc1ncccc1[O-] ZINC000190174183 385217117 /nfs/dbraw/zinc/21/71/17/385217117.db2.gz JWVMMSRANHJNII-MRVPVSSYSA-N -1 3 208.261 2.162 20 0 BEADHM CC[C@H](CC(=O)[N-]OC)c1ccc(OC)cc1 ZINC000155415697 385389971 /nfs/dbraw/zinc/38/99/71/385389971.db2.gz IXTJMXXRUAWLES-SNVBAGLBSA-N -1 3 237.299 2.257 20 0 BEADHM CCc1cccc(C(=O)N2C[C@@H](C)[C@H]2C)c1[O-] ZINC000647314923 385363070 /nfs/dbraw/zinc/36/30/70/385363070.db2.gz IQWQWMDWOKKHBW-NXEZZACHSA-N -1 3 233.311 2.435 20 0 BEADHM C[C@@H]1C[C@H](C)N(C(=O)/C=C\c2cncc([O-])c2)C1 ZINC000492400418 385371757 /nfs/dbraw/zinc/37/17/57/385371757.db2.gz QYNFXIJNZAGIRN-CJOPTALJSA-N -1 3 246.310 2.057 20 0 BEADHM CCC[C@@H]1C[C@@H]1C(=O)Nc1nc(C)ccc1[O-] ZINC000360783972 385398820 /nfs/dbraw/zinc/39/88/20/385398820.db2.gz UCSAVALJYZALBK-ZJUUUORDSA-N -1 3 234.299 2.470 20 0 BEADHM Cc1ccc(NC(=O)C2CCC(O)CC2)c([O-])c1 ZINC000194014789 385420552 /nfs/dbraw/zinc/42/05/52/385420552.db2.gz KFRDIZJXUQMVIW-UHFFFAOYSA-N -1 3 249.310 2.190 20 0 BEADHM CCc1ccc(C(=O)N2COCC2(C)C)c([O-])c1 ZINC000647666429 385427284 /nfs/dbraw/zinc/42/72/84/385427284.db2.gz NIKBJYITQBENNW-UHFFFAOYSA-N -1 3 249.310 2.163 20 0 BEADHM O=C([O-])[C@H]1CCN(Cc2sccc2Cl)C1 ZINC000257680989 385487253 /nfs/dbraw/zinc/48/72/53/385487253.db2.gz PTGHTGDDRXHNCQ-ZETCQYMHSA-N -1 3 245.731 2.308 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)/C=C\c1ccc(C)nc1 ZINC000492897303 385460577 /nfs/dbraw/zinc/46/05/77/385460577.db2.gz QJJVIYYTNXNZFZ-SKVAFPRGSA-N -1 3 248.326 2.497 20 0 BEADHM COc1ccc(NC(=O)[C@H]2CC23CC3)c([O-])c1 ZINC000643351059 385462673 /nfs/dbraw/zinc/46/26/73/385462673.db2.gz FUIABMRSEVITRM-SECBINFHSA-N -1 3 233.267 2.139 20 0 BEADHM O=C([N-]c1nncs1)c1cccc(F)c1F ZINC000054189748 385505766 /nfs/dbraw/zinc/50/57/66/385505766.db2.gz HKNKOABHVRSFKO-UHFFFAOYSA-N -1 3 241.222 2.069 20 0 BEADHM CC(=O)CCC(=O)Nc1ccc([O-])cc1Cl ZINC000616943270 385511713 /nfs/dbraw/zinc/51/17/13/385511713.db2.gz UQJPZXVVOOXVPJ-UHFFFAOYSA-N -1 3 241.674 2.353 20 0 BEADHM C[C@H](NC(=O)c1c([O-])cccc1O)C1CCCC1 ZINC000180853769 385550732 /nfs/dbraw/zinc/55/07/32/385550732.db2.gz YHOXTLJOAZLWMK-VIFPVBQESA-N -1 3 249.310 2.406 20 0 BEADHM CC(C)c1ccc(C(=O)N2CCCCN2)c([O-])c1 ZINC000647694135 385551504 /nfs/dbraw/zinc/55/15/04/385551504.db2.gz HLRNOVRNNNNSII-UHFFFAOYSA-N -1 3 248.326 2.256 20 0 BEADHM [O-]c1cccnc1CNCc1cccs1 ZINC000336651907 385636777 /nfs/dbraw/zinc/63/67/77/385636777.db2.gz ZUZJELIFBWJZQX-UHFFFAOYSA-N -1 3 220.297 2.139 20 0 BEADHM CSCCON=C([O-])Nc1ccsc1 ZINC000281234243 385646229 /nfs/dbraw/zinc/64/62/29/385646229.db2.gz DADAVDLIIGHUAC-UHFFFAOYSA-N -1 3 232.330 2.164 20 0 BEADHM CSCCO[N-]C(=O)Nc1ccsc1 ZINC000281234243 385646239 /nfs/dbraw/zinc/64/62/39/385646239.db2.gz DADAVDLIIGHUAC-UHFFFAOYSA-N -1 3 232.330 2.164 20 0 BEADHM CO[C@@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000270071510 385665418 /nfs/dbraw/zinc/66/54/18/385665418.db2.gz LRKOLUCYZPVRKH-LURJTMIESA-N -1 3 229.663 2.019 20 0 BEADHM Cc1noc([N-]Cc2ncc(Cl)s2)n1 ZINC000307117405 385657270 /nfs/dbraw/zinc/65/72/70/385657270.db2.gz PKSCZTRTWGMDKU-UHFFFAOYSA-N -1 3 230.680 2.100 20 0 BEADHM CO[C@H]1CCN(C(=O)c2ccccc2[O-])[C@H](C)C1 ZINC000281706396 385695131 /nfs/dbraw/zinc/69/51/31/385695131.db2.gz GWUHPWGJIRVTCW-MNOVXSKESA-N -1 3 249.310 2.032 20 0 BEADHM CCC[C@](C)(O)C(=O)Nc1cc(F)ccc1[O-] ZINC000270368981 385701925 /nfs/dbraw/zinc/70/19/25/385701925.db2.gz LHRITDCNRKVBNH-LBPRGKRZSA-N -1 3 241.262 2.021 20 0 BEADHM CCO[N-]C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000183012055 385729995 /nfs/dbraw/zinc/72/99/95/385729995.db2.gz KLPZULHNMGCEJY-UHFFFAOYSA-N -1 3 248.282 2.279 20 0 BEADHM O=C([O-])C1(NCc2sccc2Cl)CC1 ZINC000336692488 385733372 /nfs/dbraw/zinc/73/33/72/385733372.db2.gz QNXDZFAVYQIPGS-UHFFFAOYSA-N -1 3 231.704 2.108 20 0 BEADHM CSCC(=O)Nc1c(C)cccc1[O-] ZINC000183080090 385735084 /nfs/dbraw/zinc/73/50/84/385735084.db2.gz VGABLRWILVCRRA-UHFFFAOYSA-N -1 3 211.286 2.002 20 0 BEADHM Cc1ccc(NC(=O)[C@H]2CCC(=O)C2)c([O-])c1 ZINC000335508517 385737757 /nfs/dbraw/zinc/73/77/57/385737757.db2.gz VFYABFGAERRHDW-VIFPVBQESA-N -1 3 233.267 2.008 20 0 BEADHM Cc1noc([N-]C(=O)[C@@H]2O[C@H](C)C[C@H]2C)c1C ZINC000282192756 385741103 /nfs/dbraw/zinc/74/11/03/385741103.db2.gz MLUWHMUCZIUYKQ-BRDIYROLSA-N -1 3 238.287 2.043 20 0 BEADHM CO[C@@H](C)CCC(=O)Nc1ccccc1[O-] ZINC000183197487 385742670 /nfs/dbraw/zinc/74/26/70/385742670.db2.gz NBPICAZBBGOQCK-VIFPVBQESA-N -1 3 223.272 2.146 20 0 BEADHM C[C@H]1OCCN(Cc2cc([O-])cc(F)c2)[C@H]1C ZINC000186228574 385749829 /nfs/dbraw/zinc/74/98/29/385749829.db2.gz ZYDWMAAZZAFEGM-VHSXEESVSA-N -1 3 239.290 2.141 20 0 BEADHM CCO[N-]C(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000182947504 385722384 /nfs/dbraw/zinc/72/23/84/385722384.db2.gz SWIROGSVSHMPKK-UHFFFAOYSA-N -1 3 246.213 2.046 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(C)cc1OCC ZINC000182939488 385723088 /nfs/dbraw/zinc/72/30/88/385723088.db2.gz DZUJGBWNAKQXAS-UHFFFAOYSA-N -1 3 238.287 2.467 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H]2C)c1 ZINC000294206380 385822469 /nfs/dbraw/zinc/82/24/69/385822469.db2.gz QSXFQUZECUQJGD-UWVGGRQHSA-N -1 3 219.284 2.181 20 0 BEADHM CCc1ccc(C(=O)N2C[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000294215228 385823774 /nfs/dbraw/zinc/82/37/74/385823774.db2.gz RDRKQIOZKHKIGS-ZJUUUORDSA-N -1 3 233.311 2.435 20 0 BEADHM CC1(C)C[C@H]1C(=O)[N-]OCc1ccc(F)cc1 ZINC000273263186 385982831 /nfs/dbraw/zinc/98/28/31/385982831.db2.gz GFKVHYDVHYCTRE-NSHDSACASA-N -1 3 237.274 2.420 20 0 BEADHM COC[C@@H](C)N(C)Cc1c(F)ccc([O-])c1F ZINC000295358586 386017119 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CCN(CC(=O)[O-])Cc1ccccc1OC1CC1 ZINC000519766652 386551451 /nfs/dbraw/zinc/55/14/51/386551451.db2.gz ZOLJBCSSXMKBRT-UHFFFAOYSA-N -1 3 249.310 2.134 20 0 BEADHM CCc1cc(C(=O)N2CCCC2)ccc1[O-] ZINC000291479963 386551951 /nfs/dbraw/zinc/55/19/51/386551951.db2.gz QQYZGTMGZXNZIC-UHFFFAOYSA-N -1 3 219.284 2.191 20 0 BEADHM CCc1cc(C(=O)NCC(F)(F)F)ccc1[O-] ZINC000291511717 386554152 /nfs/dbraw/zinc/55/41/52/386554152.db2.gz QMFYCHYTKGKKLW-UHFFFAOYSA-N -1 3 247.216 2.247 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc(F)cc1 ZINC000292118729 386620541 /nfs/dbraw/zinc/62/05/41/386620541.db2.gz OIUXLVDRPYNQEW-SNVBAGLBSA-N -1 3 239.290 2.462 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC[C@H](C)C[C@H]2C)n1 ZINC000268175514 386630099 /nfs/dbraw/zinc/63/00/99/386630099.db2.gz BHFFTAJGOYJLOZ-WDEREUQCSA-N -1 3 249.358 2.365 20 0 BEADHM O=C(/C=C/c1cncc([O-])c1)NC1CCCCC1 ZINC000179380218 386638914 /nfs/dbraw/zinc/63/89/14/386638914.db2.gz WQDMQUVQGXRZJA-VOTSOKGWSA-N -1 3 246.310 2.249 20 0 BEADHM O=C(Nc1ncccc1[O-])C1CC2(CCC2)C1 ZINC000335510742 386644455 /nfs/dbraw/zinc/64/44/55/386644455.db2.gz NYEZAQSKUALWDP-UHFFFAOYSA-N -1 3 232.283 2.306 20 0 BEADHM CCC=C(C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000520229447 386607500 /nfs/dbraw/zinc/60/75/00/386607500.db2.gz RJKYXNDIOJGHQY-QPJJXVBHSA-N -1 3 232.243 2.046 20 0 BEADHM CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000187406130 386674441 /nfs/dbraw/zinc/67/44/41/386674441.db2.gz GJUOZWPIFUGYJE-SKDRFNHKSA-N -1 3 249.310 2.358 20 0 BEADHM Cc1cncc(CCC(=O)[N-]OCC(C)C)c1 ZINC000292535204 386686563 /nfs/dbraw/zinc/68/65/63/386686563.db2.gz PIEUAEIHKJWBHY-UHFFFAOYSA-N -1 3 236.315 2.026 20 0 BEADHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)C2CCC2)n1 ZINC000357038187 386698021 /nfs/dbraw/zinc/69/80/21/386698021.db2.gz MUOIXCPYWSXRNS-JTQLQIEISA-N -1 3 249.358 2.365 20 0 BEADHM COC(C)(C)CC(=O)Nc1c(C)cccc1[O-] ZINC000279752183 386731992 /nfs/dbraw/zinc/73/19/92/386731992.db2.gz DBAKEUABNNLDGH-UHFFFAOYSA-N -1 3 237.299 2.454 20 0 BEADHM CCCn1nccc1NC(=O)c1cccc([O-])c1 ZINC000357438291 386782028 /nfs/dbraw/zinc/78/20/28/386782028.db2.gz ZHRWLJAYVWLFRR-UHFFFAOYSA-N -1 3 245.282 2.251 20 0 BEADHM CC[C@@H](C)CONC(=O)c1ccccc1[O-] ZINC000293727531 386869534 /nfs/dbraw/zinc/86/95/34/386869534.db2.gz NCTHPWSGPHHCRN-SECBINFHSA-N -1 3 223.272 2.100 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](F)C2)c1 ZINC000334839961 386884666 /nfs/dbraw/zinc/88/46/66/386884666.db2.gz JSQOVNXTCYKNCG-SNVBAGLBSA-N -1 3 237.274 2.139 20 0 BEADHM C[C@@H]1N(C(=O)c2cccc([O-])c2)CCOC1(C)C ZINC000335771473 386917499 /nfs/dbraw/zinc/91/74/99/386917499.db2.gz WMQQYEAUIRTYED-JTQLQIEISA-N -1 3 249.310 2.032 20 0 BEADHM CS(=O)(=O)[N-]c1cccnc1-c1ccccc1 ZINC000335774260 386923486 /nfs/dbraw/zinc/92/34/86/386923486.db2.gz DDGHCZKBABBXPW-UHFFFAOYSA-N -1 3 248.307 2.120 20 0 BEADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358425573 386954491 /nfs/dbraw/zinc/95/44/91/386954491.db2.gz IOXGIYRTYIIMFG-SCZZXKLOSA-N -1 3 245.344 2.301 20 0 BEADHM O=C(c1ccccc1[O-])N1C[C@H]2CCCC[C@H]21 ZINC000368246942 386955050 /nfs/dbraw/zinc/95/50/50/386955050.db2.gz WEWCPHNMQYQVKQ-ZYHUDNBSSA-N -1 3 231.295 2.407 20 0 BEADHM C[C@]1([N-]S(=O)(=O)c2ccco2)CC=CCC1 ZINC000334920681 386997152 /nfs/dbraw/zinc/99/71/52/386997152.db2.gz ZQCLDBOGKLCBFJ-NSHDSACASA-N -1 3 241.312 2.057 20 0 BEADHM Cc1cnc(SCc2ncccc2[O-])nc1 ZINC000519067440 386999297 /nfs/dbraw/zinc/99/92/97/386999297.db2.gz ARPLKVNPIKBICR-UHFFFAOYSA-N -1 3 233.296 2.178 20 0 BEADHM Cc1cccnc1C[S@@](=O)c1cccc([O-])c1 ZINC000334953465 387030193 /nfs/dbraw/zinc/03/01/93/387030193.db2.gz OPKUODZLUCHTTD-QGZVFWFLSA-N -1 3 247.319 2.403 20 0 BEADHM C[C@H](CNC(=O)c1cccc([O-])c1)C(F)(F)F ZINC000358934397 387035414 /nfs/dbraw/zinc/03/54/14/387035414.db2.gz MWGPMATXIABNCV-SSDOTTSWSA-N -1 3 247.216 2.320 20 0 BEADHM Cn1c(=O)[n-]nc1SC[C@H]1CCC(F)(F)C1 ZINC000334967123 387048722 /nfs/dbraw/zinc/04/87/22/387048722.db2.gz JKZFGYOXZRVIOV-LURJTMIESA-N -1 3 249.286 2.048 20 0 BEADHM 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ZINC000161709271 387259911 /nfs/dbraw/zinc/25/99/11/387259911.db2.gz XDFFMAAJXKKTCF-VIFPVBQESA-N -1 3 223.272 2.146 20 0 BEADHM CC(C)[C@]1(C)C[C@H]1C(=O)NCc1ncccc1[O-] ZINC000352508044 387268858 /nfs/dbraw/zinc/26/88/58/387268858.db2.gz LNAMISBICQLGOA-HZMBPMFUSA-N -1 3 248.326 2.086 20 0 BEADHM CCO[N-]C(=O)Nc1ccsc1Cl ZINC000189296311 387281075 /nfs/dbraw/zinc/28/10/75/387281075.db2.gz RXVKTBZVSRHYFH-UHFFFAOYSA-N -1 3 220.681 2.475 20 0 BEADHM CCCC1(C(=O)NCc2ncccc2[O-])CCC1 ZINC000352518275 387286477 /nfs/dbraw/zinc/28/64/77/387286477.db2.gz WHYRJXNNKBKZHA-UHFFFAOYSA-N -1 3 248.326 2.374 20 0 BEADHM C[C@@H](C1CCC1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000325401537 387290918 /nfs/dbraw/zinc/29/09/18/387290918.db2.gz LFAOWPGITNUECY-VIFPVBQESA-N -1 3 249.310 2.358 20 0 BEADHM Cc1cccc([O-])c1C(=O)N(C)CC(C)C ZINC000623932083 387307005 /nfs/dbraw/zinc/30/70/05/387307005.db2.gz YXKSSULRGVBZPA-UHFFFAOYSA-N -1 3 221.300 2.429 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CC2(C)C)c1 ZINC000354460558 387379218 /nfs/dbraw/zinc/37/92/18/387379218.db2.gz PFCOQWAIXFPLCU-GFCCVEGCSA-N -1 3 233.311 2.483 20 0 BEADHM C[C@]1(F)CCCN(Cc2ncccc2[O-])C1 ZINC000648606326 387381139 /nfs/dbraw/zinc/38/11/39/387381139.db2.gz URLIBHUPJUTLLO-LBPRGKRZSA-N -1 3 224.279 2.111 20 0 BEADHM C[C@H]([N-]C(=O)CC(F)(F)F)C(F)(F)F ZINC000360654427 387328814 /nfs/dbraw/zinc/32/88/14/387328814.db2.gz ZBUAPUYIXLHHKK-VKHMYHEASA-N -1 3 223.116 2.006 20 0 BEADHM Cc1cc(C(=O)[N-]c2ncc(C)s2)on1 ZINC000078977570 387332275 /nfs/dbraw/zinc/33/22/75/387332275.db2.gz WEILVYZIJSYSFN-UHFFFAOYSA-N -1 3 223.257 2.000 20 0 BEADHM CCC1(C)CN(C(=O)c2cccc([O-])c2)C1 ZINC000292985605 387345282 /nfs/dbraw/zinc/34/52/82/387345282.db2.gz XVUBQPJZGHCNQW-UHFFFAOYSA-N -1 3 219.284 2.264 20 0 BEADHM Cc1ccc([O-])c(NC(=O)c2ccncc2C)n1 ZINC000354590075 387399923 /nfs/dbraw/zinc/39/99/23/387399923.db2.gz DQAOFROYVASJOP-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM Cc1c[nH]cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000336582144 387408271 /nfs/dbraw/zinc/40/82/71/387408271.db2.gz LLCKXODWOCGNGZ-UHFFFAOYSA-N -1 3 248.257 2.098 20 0 BEADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1cnn(C)c1 ZINC000274426272 387479197 /nfs/dbraw/zinc/47/91/97/387479197.db2.gz LOIUXGZXMRRAOB-SECBINFHSA-N -1 3 249.289 2.116 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2CC(C)=C[C@H](C)C2)n1 ZINC000430272851 387605338 /nfs/dbraw/zinc/60/53/38/387605338.db2.gz CDFHJTKZLRIMFL-CABZTGNLSA-N -1 3 247.342 2.450 20 0 BEADHM CS[C@@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000124449943 387617434 /nfs/dbraw/zinc/61/74/34/387617434.db2.gz GOARXXBWRWFTOP-LURJTMIESA-N -1 3 229.276 2.221 20 0 BEADHM CS[C@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000124450171 387619175 /nfs/dbraw/zinc/61/91/75/387619175.db2.gz GOARXXBWRWFTOP-ZCFIWIBFSA-N -1 3 229.276 2.221 20 0 BEADHM CC[C@H](C)CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000422113633 387577290 /nfs/dbraw/zinc/57/72/90/387577290.db2.gz HXQXKBNUGMPUQB-VIFPVBQESA-N -1 3 249.310 2.371 20 0 BEADHM O=C(c1c([O-])cccc1O)N1CCCCCC1 ZINC000125545266 387660445 /nfs/dbraw/zinc/66/04/45/387660445.db2.gz DJWZXBCWFAKAMZ-UHFFFAOYSA-N -1 3 235.283 2.114 20 0 BEADHM CC(C)(C)C(C)(C)CN=c1ncnc2[nH][n-]cc1-2 ZINC000431166492 387682257 /nfs/dbraw/zinc/68/22/57/387682257.db2.gz KRAPNZCMFWFWIV-UHFFFAOYSA-N -1 3 247.346 2.211 20 0 BEADHM O=C([O-])CN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000377395810 387714399 /nfs/dbraw/zinc/71/43/99/387714399.db2.gz ARUYEKIIZRZPPE-NSHDSACASA-N -1 3 241.237 2.186 20 0 BEADHM CCO[N-]C(=O)Cc1coc2ccc(C)cc12 ZINC000527790637 387717121 /nfs/dbraw/zinc/71/71/21/387717121.db2.gz ZKKCTDMHQHBKGU-UHFFFAOYSA-N -1 3 233.267 2.351 20 0 BEADHM CCO[N-]C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000527790682 387717191 /nfs/dbraw/zinc/71/71/91/387717191.db2.gz ZZZHSDQNFWLLCQ-NEPJUHHUSA-N -1 3 237.274 2.387 20 0 BEADHM CCO[N-]C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000527790684 387717934 /nfs/dbraw/zinc/71/79/34/387717934.db2.gz ZZZHSDQNFWLLCQ-NWDGAFQWSA-N -1 3 237.274 2.387 20 0 BEADHM CC[C@@H](NC(=O)c1ccc(C)cc1[O-])C(F)F ZINC000452249127 387780092 /nfs/dbraw/zinc/78/00/92/387780092.db2.gz PIDIYFSVHUGPGC-SECBINFHSA-N -1 3 243.253 2.474 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC2CC(C)(F)C2)c1 ZINC000452286185 387792690 /nfs/dbraw/zinc/79/26/90/387792690.db2.gz WDYKYWWZJLCZJH-UHFFFAOYSA-N -1 3 237.274 2.321 20 0 BEADHM Cc1ccc(C(=O)N[C@@H]2CC[C@H]2C)c([O-])c1 ZINC000393785261 387941547 /nfs/dbraw/zinc/94/15/47/387941547.db2.gz CDGFVLCRPTURFM-MWLCHTKSSA-N -1 3 219.284 2.229 20 0 BEADHM Cc1cc(C(=O)Nc2nc(C)ccc2[O-])ns1 ZINC000445162681 387943077 /nfs/dbraw/zinc/94/30/77/387943077.db2.gz UPVZVOBWYRSSJC-UHFFFAOYSA-N -1 3 249.295 2.113 20 0 BEADHM Cn1cccc1C(=O)Nc1ccc([O-])cc1F ZINC000085203751 388085288 /nfs/dbraw/zinc/08/52/88/388085288.db2.gz KTRQRSLSSGJWFY-UHFFFAOYSA-N -1 3 234.230 2.122 20 0 BEADHM CCO[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000042327327 388087707 /nfs/dbraw/zinc/08/77/07/388087707.db2.gz FQPRJJZIVQJVSP-LLVKDONJSA-N -1 3 249.310 2.033 20 0 BEADHM CC[C@H](C)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448843547 388115438 /nfs/dbraw/zinc/11/54/38/388115438.db2.gz FHRKOXMHZMLQME-VIFPVBQESA-N -1 3 239.290 2.331 20 0 BEADHM CSc1nnc(NC(=O)C=CC(C)(C)C)[n-]1 ZINC000491894058 388326715 /nfs/dbraw/zinc/32/67/15/388326715.db2.gz KFSHSVKFTXGYJU-WAYWQWQTSA-N -1 3 240.332 2.067 20 0 BEADHM CSc1n[n-]c(NC(=O)/C=C\C(C)(C)C)n1 ZINC000491894058 388326716 /nfs/dbraw/zinc/32/67/16/388326716.db2.gz KFSHSVKFTXGYJU-WAYWQWQTSA-N -1 3 240.332 2.067 20 0 BEADHM CSc1nc(NC(=O)C=CC(C)(C)C)n[n-]1 ZINC000491894058 388326717 /nfs/dbraw/zinc/32/67/17/388326717.db2.gz KFSHSVKFTXGYJU-WAYWQWQTSA-N -1 3 240.332 2.067 20 0 BEADHM CC(C)(C)/C=C/C(=O)NCc1ncccc1[O-] ZINC000491964599 388329896 /nfs/dbraw/zinc/32/98/96/388329896.db2.gz NVBPULVDXUVOQW-VOTSOKGWSA-N -1 3 234.299 2.006 20 0 BEADHM O=C(/C=C\c1ccc[nH]1)[N-]OC1CCCCC1 ZINC000492008154 388331334 /nfs/dbraw/zinc/33/13/34/388331334.db2.gz YVFAGOGVRAWDEK-HJWRWDBZSA-N -1 3 234.299 2.408 20 0 BEADHM COC1(CC(=O)[N-]OCc2ccccc2)CCC1 ZINC000234606290 388357194 /nfs/dbraw/zinc/35/71/94/388357194.db2.gz OQVYHPATBSARLG-UHFFFAOYSA-N -1 3 249.310 2.194 20 0 BEADHM Cc1cc(C(=O)N2C[C@H](C)[C@H](C)C2)ccc1[O-] ZINC000227036406 388357365 /nfs/dbraw/zinc/35/73/65/388357365.db2.gz GPXITUGURWSCJD-PHIMTYICSA-N -1 3 233.311 2.429 20 0 BEADHM CC[C@H](O)CCNCc1cccc([O-])c1Cl ZINC000293699141 388359571 /nfs/dbraw/zinc/35/95/71/388359571.db2.gz WZONQOJKXZSUMI-JTQLQIEISA-N -1 3 243.734 2.296 20 0 BEADHM C[C@H]1CC[C@H](CNC(=O)c2ccc(O)cc2[O-])C1 ZINC000235668718 388374363 /nfs/dbraw/zinc/37/43/63/388374363.db2.gz SHXDISLWWYDUCJ-UWVGGRQHSA-N -1 3 249.310 2.264 20 0 BEADHM C[C@@H]1[C@H](O)CCN1Cc1cccc([O-])c1Cl ZINC000648801647 388374378 /nfs/dbraw/zinc/37/43/78/388374378.db2.gz JJBDHMMCRZMXNN-PSASIEDQSA-N -1 3 241.718 2.001 20 0 BEADHM CC[C@](C)(O)CNCc1cccc([O-])c1Cl ZINC000293438719 388389785 /nfs/dbraw/zinc/38/97/85/388389785.db2.gz BSOPKTLFYXGLDR-LBPRGKRZSA-N -1 3 243.734 2.296 20 0 BEADHM COc1cc(CC(=O)[N-]OC(C)C)ccc1C ZINC000294237617 388397929 /nfs/dbraw/zinc/39/79/29/388397929.db2.gz VVCJBIYMBIHBOP-UHFFFAOYSA-N -1 3 237.299 2.002 20 0 BEADHM O=C(/C=C\c1ccccc1)[N-]OCC(F)(F)F ZINC000492115269 388335503 /nfs/dbraw/zinc/33/55/03/388335503.db2.gz DRAHUKFWPJCRGZ-SREVYHEPSA-N -1 3 245.200 2.310 20 0 BEADHM CN(Cc1cc([O-])cc(F)c1)[C@H]1CCCOC1 ZINC000335329409 388449542 /nfs/dbraw/zinc/44/95/42/388449542.db2.gz SFKYTVJLCAFJRQ-LBPRGKRZSA-N -1 3 239.290 2.142 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@]12C[C@H]1CCC2 ZINC000649229378 388463867 /nfs/dbraw/zinc/46/38/67/388463867.db2.gz YUHPQUBPYLCKIL-QMTHXVAHSA-N -1 3 247.342 2.392 20 0 BEADHM COc1ccccc1/C=C/C(=O)[N-]OCC(C)C ZINC000135327227 388491076 /nfs/dbraw/zinc/49/10/76/388491076.db2.gz CWVWFMFVAKANFW-CMDGGOBGSA-N -1 3 249.310 2.412 20 0 BEADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000135629888 388502634 /nfs/dbraw/zinc/50/26/34/388502634.db2.gz GFYJBIXPFSGQIT-PELKAZGASA-N -1 3 220.272 2.162 20 0 BEADHM C[C@@H]1CC(F)(F)CCN1Cc1ncccc1[O-] ZINC000528765105 388569648 /nfs/dbraw/zinc/56/96/48/388569648.db2.gz AGQQVLFMMZYIJY-SECBINFHSA-N -1 3 242.269 2.407 20 0 BEADHM CCCCN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530171166 388620647 /nfs/dbraw/zinc/62/06/47/388620647.db2.gz WLBIIGHZEVYAIB-LLVKDONJSA-N -1 3 223.272 2.064 20 0 BEADHM C[C@@H]1CC(C(=O)[O-])C[C@H](C)N1C/C=C/Cl ZINC000530177033 388621213 /nfs/dbraw/zinc/62/12/13/388621213.db2.gz WDJHCGOFXATWTO-ZRVCFGMJSA-N -1 3 231.723 2.313 20 0 BEADHM CN(C/C=C/c1ccccc1)CCC(=O)[O-] ZINC000037932800 388650072 /nfs/dbraw/zinc/65/00/72/388650072.db2.gz MSLAPWAGWMHJII-VMPITWQZSA-N -1 3 219.284 2.106 20 0 BEADHM CC[C@@H](C)CC(=O)N=c1cc2ccccn2[n-]1 ZINC000553001607 388744196 /nfs/dbraw/zinc/74/41/96/388744196.db2.gz GNKWOGSNQPAGGH-SNVBAGLBSA-N -1 3 231.299 2.131 20 0 BEADHM C[C@H](C(=O)N=c1cc2ccccn2[n-]1)C(C)(C)C ZINC000552993416 388744642 /nfs/dbraw/zinc/74/46/42/388744642.db2.gz ZPTAKPYXAFQCIU-SNVBAGLBSA-N -1 3 245.326 2.377 20 0 BEADHM CS[C@H](C)C(=O)Nc1cccc([O-])c1F ZINC000128305006 388747343 /nfs/dbraw/zinc/74/73/43/388747343.db2.gz ZVZCGLAUGUBZAB-ZCFIWIBFSA-N -1 3 229.276 2.221 20 0 BEADHM COCCCC(=O)Nc1c([O-])cccc1Cl ZINC000552436445 388707973 /nfs/dbraw/zinc/70/79/73/388707973.db2.gz FMEMLKCQNGVONJ-UHFFFAOYSA-N -1 3 243.690 2.411 20 0 BEADHM C[C@@H]1COCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000195442468 388709117 /nfs/dbraw/zinc/70/91/17/388709117.db2.gz XKPXWELCFFGQLE-ZJUUUORDSA-N -1 3 235.283 2.003 20 0 BEADHM COCC1(CC(=O)Nc2ccccc2[O-])CC1 ZINC000648744085 388782294 /nfs/dbraw/zinc/78/22/94/388782294.db2.gz LJLAVBWQHAYYGC-UHFFFAOYSA-N -1 3 235.283 2.147 20 0 BEADHM CCC(C)(C)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000554416713 388814999 /nfs/dbraw/zinc/81/49/99/388814999.db2.gz HWAJXULRWPWZTK-UHFFFAOYSA-N -1 3 246.314 2.066 20 0 BEADHM CC1=C(C(=O)Nc2ncccc2[O-])CCC1 ZINC000541238693 388844448 /nfs/dbraw/zinc/84/44/48/388844448.db2.gz JBOMMLBITSWEKK-UHFFFAOYSA-N -1 3 218.256 2.226 20 0 BEADHM CCc1ccc([O-])c(C(=O)NC(C)(C)C)c1 ZINC000093918065 388855039 /nfs/dbraw/zinc/85/50/39/388855039.db2.gz UFFQUNZBGPWZKD-UHFFFAOYSA-N -1 3 221.300 2.483 20 0 BEADHM CCc1cccc(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC000555637580 388859117 /nfs/dbraw/zinc/85/91/17/388859117.db2.gz CLCCWKRMHPGSLI-PTEHBNRSSA-N -1 3 245.322 2.483 20 0 BEADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](C)C1 ZINC000565102146 388915084 /nfs/dbraw/zinc/91/50/84/388915084.db2.gz DNSDUSFRKIPRST-SECBINFHSA-N -1 3 237.299 2.382 20 0 BEADHM Cc1nc(CNCc2ccc([O-])c(F)c2)[nH]c1C ZINC000565608508 388958218 /nfs/dbraw/zinc/95/82/18/388958218.db2.gz CMDANCARWNOPKD-UHFFFAOYSA-N -1 3 249.289 2.161 20 0 BEADHM CN(CCC1CC1)C(=O)c1cccc([O-])c1 ZINC000272793486 389035394 /nfs/dbraw/zinc/03/53/94/389035394.db2.gz XHXMZDHJOKJHLI-UHFFFAOYSA-N -1 3 219.284 2.264 20 0 BEADHM Cc1nnsc1C(=O)Nc1ccc(C)cc1[O-] ZINC000040419617 322831487 /nfs/dbraw/zinc/83/14/87/322831487.db2.gz YQWHYOBDJWJXNN-UHFFFAOYSA-N -1 3 249.295 2.113 20 0 BEADHM Cc1ocnc1C(=O)Nc1cc(F)ccc1[O-] ZINC000335933208 134011421 /nfs/dbraw/zinc/01/14/21/134011421.db2.gz QMZJIXNFMQKSTR-UHFFFAOYSA-N -1 3 236.202 2.080 20 0 BEADHM COc1ccc([O-])c(C(=O)N2[C@@H](C)C[C@@H]2C)c1 ZINC000336065395 134070229 /nfs/dbraw/zinc/07/02/29/134070229.db2.gz MZKLZBXEGSMELL-IUCAKERBSA-N -1 3 235.283 2.024 20 0 BEADHM C[C@@H]1C[C@H]1CNCc1c(F)ccc([O-])c1F ZINC000352124391 134074903 /nfs/dbraw/zinc/07/49/03/134074903.db2.gz XZLGTZZWZLCBRV-SFYZADRCSA-N -1 3 227.254 2.416 20 0 BEADHM O=C(NCC1(C(F)F)CC1)c1cccc([O-])c1 ZINC000352133151 134081215 /nfs/dbraw/zinc/08/12/15/134081215.db2.gz AMIDNMORVSSGSX-UHFFFAOYSA-N -1 3 241.237 2.167 20 0 BEADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCOCC1 ZINC000336109519 134085642 /nfs/dbraw/zinc/08/56/42/134085642.db2.gz MOJQSFWSIBBQQF-SNVBAGLBSA-N -1 3 235.283 2.147 20 0 BEADHM O=C([N-]c1nccs1)c1ncc(F)cc1F ZINC000336109685 134086120 /nfs/dbraw/zinc/08/61/20/134086120.db2.gz ITPZKLADXIWPRW-UHFFFAOYSA-N -1 3 241.222 2.069 20 0 BEADHM COc1ncccc1NC(=O)c1cccc([O-])c1 ZINC000182081580 134341401 /nfs/dbraw/zinc/34/14/01/134341401.db2.gz WTXJRIJDSCHKHL-UHFFFAOYSA-N -1 3 244.250 2.048 20 0 BEADHM Cc1cc(C(=O)NCc2ccco2)ccc1[O-] ZINC000226433278 134362703 /nfs/dbraw/zinc/36/27/03/134362703.db2.gz QLPDZBIPWWFXDJ-UHFFFAOYSA-N -1 3 231.251 2.224 20 0 BEADHM Cc1cc(C(=O)NCc2ccccn2)ccc1[O-] ZINC000226714183 134371042 /nfs/dbraw/zinc/37/10/42/134371042.db2.gz LJCBVZDYTSSERO-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM C[C@H]1C[C@H](C)N(C(=O)c2cccc([O-])c2)C1 ZINC000163676277 135045036 /nfs/dbraw/zinc/04/50/36/135045036.db2.gz VEOAJHZESWFBNE-UWVGGRQHSA-N -1 3 219.284 2.263 20 0 BEADHM Cc1csc2[n-]c(-c3ccccn3)nc(=O)c12 ZINC000077251557 135059888 /nfs/dbraw/zinc/05/98/88/135059888.db2.gz LIGHDOCFCJGOIQ-UHFFFAOYSA-N -1 3 243.291 2.355 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])c1c[nH]cn1 ZINC000334165948 135323574 /nfs/dbraw/zinc/32/35/74/135323574.db2.gz AFHOMHQXVMCHPX-UHFFFAOYSA-N -1 3 237.646 2.021 20 0 BEADHM Cc1ccoc1CNCCC(C)(C)C(=O)[O-] ZINC000263338608 135348504 /nfs/dbraw/zinc/34/85/04/135348504.db2.gz OHFVFHIUYMETPY-UHFFFAOYSA-N -1 3 225.288 2.179 20 0 BEADHM CC[C@@H]1CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263432264 135353569 /nfs/dbraw/zinc/35/35/69/135353569.db2.gz SOCOQNDKTZOEBK-GFCCVEGCSA-N -1 3 219.284 2.369 20 0 BEADHM Cc1ccc(CNC[C@@H](CC(C)C)C(=O)[O-])o1 ZINC000263498251 135357442 /nfs/dbraw/zinc/35/74/42/135357442.db2.gz RUZNSMPUIXTFEO-LLVKDONJSA-N -1 3 239.315 2.425 20 0 BEADHM Cn1ccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000334359747 135371807 /nfs/dbraw/zinc/37/18/07/135371807.db2.gz XBQCPKLHSWSSIC-UHFFFAOYSA-N -1 3 234.230 2.122 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)C2CC2)o1 ZINC000334425732 135397013 /nfs/dbraw/zinc/39/70/13/135397013.db2.gz XSHDZSLEWVWQNW-UHFFFAOYSA-N -1 3 243.328 2.055 20 0 BEADHM COc1ccc(NCc2nc(C)ccc2[O-])cn1 ZINC000091993455 135570221 /nfs/dbraw/zinc/57/02/21/135570221.db2.gz HIZASUBHHSACFN-UHFFFAOYSA-N -1 3 245.282 2.111 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CC12CC2 ZINC000335018594 135878598 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3 204.229 2.313 20 0 BEADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CC1 ZINC000299264763 172337676 /nfs/dbraw/zinc/33/76/76/172337676.db2.gz HLWRUVUMBLPRLA-UHFFFAOYSA-N -1 3 242.278 2.175 20 0 BEADHM COCCCCC(=O)Nc1c(C)cccc1[O-] ZINC000179555700 174173812 /nfs/dbraw/zinc/17/38/12/174173812.db2.gz CRWVFBXOOLBSDY-UHFFFAOYSA-N -1 3 237.299 2.456 20 0 BEADHM COCCCN(C)Cc1c(F)ccc([O-])c1F ZINC000295268165 174218169 /nfs/dbraw/zinc/21/81/69/174218169.db2.gz HKHBGQUAHDZRTJ-UHFFFAOYSA-N -1 3 245.269 2.139 20 0 BEADHM COCCCO[N-]C(=O)Nc1cccc(C)c1 ZINC000285690217 174255216 /nfs/dbraw/zinc/25/52/16/174255216.db2.gz OLAJOCXYUBWVAP-UHFFFAOYSA-N -1 3 238.287 2.085 20 0 BEADHM COCCCc1nc(-c2ccc([O-])cc2)no1 ZINC000113711721 174265442 /nfs/dbraw/zinc/26/54/42/174265442.db2.gz QAMOUWDKVGJROW-UHFFFAOYSA-N -1 3 234.255 2.021 20 0 BEADHM COc1ccc(C(=O)N2C[C@@H](C)[C@H](C)C2)c([O-])c1 ZINC000075412185 175057515 /nfs/dbraw/zinc/05/75/15/175057515.db2.gz LFQZUQVTKMMKJP-NXEZZACHSA-N -1 3 249.310 2.129 20 0 BEADHM COc1ccc(C(=O)N[C@@H]2CC=CCC2)c([O-])c1 ZINC000080110941 175062128 /nfs/dbraw/zinc/06/21/28/175062128.db2.gz LYZMOFLULUWHTF-SNVBAGLBSA-N -1 3 247.294 2.239 20 0 BEADHM COc1ccc(C(=O)N[C@H]2CC=CCC2)c([O-])c1 ZINC000080110939 175063155 /nfs/dbraw/zinc/06/31/55/175063155.db2.gz LYZMOFLULUWHTF-JTQLQIEISA-N -1 3 247.294 2.239 20 0 BEADHM COc1ccc(C)cc1CNC1(C(=O)[O-])CCC1 ZINC000147359639 175074547 /nfs/dbraw/zinc/07/45/47/175074547.db2.gz JZBNHFRQZXTVHL-UHFFFAOYSA-N -1 3 249.310 2.101 20 0 BEADHM COc1ccc(F)c(NC([O-])=NOC(C)C)c1 ZINC000296553154 175126017 /nfs/dbraw/zinc/12/60/17/175126017.db2.gz HCKOTWMLMSLUAH-UHFFFAOYSA-N -1 3 242.250 2.296 20 0 BEADHM COc1ccc(F)c(NC(=O)[N-]OC(C)C)c1 ZINC000296553154 175126019 /nfs/dbraw/zinc/12/60/19/175126019.db2.gz HCKOTWMLMSLUAH-UHFFFAOYSA-N -1 3 242.250 2.296 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@@H](C)C(C)C)c1 ZINC000051770392 175157302 /nfs/dbraw/zinc/15/73/02/175157302.db2.gz CYQSRQAKEDIDLZ-VIFPVBQESA-N -1 3 237.299 2.175 20 0 BEADHM COc1ccc([O-])c(C(=O)NC2(C)CCCC2)c1 ZINC000112703336 175157908 /nfs/dbraw/zinc/15/79/08/175157908.db2.gz LHVKZRWOIZHDED-UHFFFAOYSA-N -1 3 249.310 2.463 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]2C)c1 ZINC000071209732 175158188 /nfs/dbraw/zinc/15/81/88/175158188.db2.gz MSTIHXZJONZYPZ-JOYOIKCWSA-N -1 3 249.310 2.319 20 0 BEADHM COc1cccc(C(=O)NCC2CCCC2)c1[O-] ZINC000037251377 175244111 /nfs/dbraw/zinc/24/41/11/175244111.db2.gz BETSREFJORGYDG-UHFFFAOYSA-N -1 3 249.310 2.321 20 0 BEADHM COc1cccc(C(=O)NCCC=C(C)C)c1[O-] ZINC000276701607 175244340 /nfs/dbraw/zinc/24/43/40/175244340.db2.gz NQAYXLFNAQKKNL-UHFFFAOYSA-N -1 3 249.310 2.487 20 0 BEADHM COc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C)c1[O-] ZINC000071209708 175245019 /nfs/dbraw/zinc/24/50/19/175245019.db2.gz BVOBXVKCSXRNHR-GXSJLCMTSA-N -1 3 249.310 2.319 20 0 BEADHM COc1cccc(C(=O)N[C@H]2CCC[C@H]2C)c1[O-] ZINC000071209705 175246168 /nfs/dbraw/zinc/24/61/68/175246168.db2.gz BVOBXVKCSXRNHR-KOLCDFICSA-N -1 3 249.310 2.319 20 0 BEADHM COc1cccc(C(=O)N[C@H]2CCC2(C)C)c1[O-] ZINC000287324838 175246544 /nfs/dbraw/zinc/24/65/44/175246544.db2.gz VFVWFVYABCYNSN-NSHDSACASA-N -1 3 249.310 2.319 20 0 BEADHM COc1cccc(NC([O-])=NOC(C)C)c1 ZINC000294249777 175276870 /nfs/dbraw/zinc/27/68/70/175276870.db2.gz WMSVPSYISPASOL-UHFFFAOYSA-N -1 3 224.260 2.157 20 0 BEADHM COc1cccc(NC(=O)[N-]OC(C)C)c1 ZINC000294249777 175276871 /nfs/dbraw/zinc/27/68/71/175276871.db2.gz WMSVPSYISPASOL-UHFFFAOYSA-N -1 3 224.260 2.157 20 0 BEADHM C[C@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC000075412320 176262908 /nfs/dbraw/zinc/26/29/08/176262908.db2.gz VAWLPHZQVXSTSW-AOOOYVTPSA-N -1 3 219.284 2.120 20 0 BEADHM C[C@H](c1ccc(F)c(F)c1)N(C)CC(=O)[O-] ZINC000082413881 177032948 /nfs/dbraw/zinc/03/29/48/177032948.db2.gz GMGHGMDPRKEWAC-SSDOTTSWSA-N -1 3 229.226 2.042 20 0 BEADHM C[C@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1O ZINC000179386876 177087722 /nfs/dbraw/zinc/08/77/22/177087722.db2.gz BIFWSWUXEJKFQN-VHSXEESVSA-N -1 3 249.310 2.406 20 0 BEADHM C[C@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000051330211 177100318 /nfs/dbraw/zinc/10/03/18/177100318.db2.gz RGASWJLSBDKPIR-VIFPVBQESA-N -1 3 223.272 2.210 20 0 BEADHM C[C@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000336220813 177106414 /nfs/dbraw/zinc/10/64/14/177106414.db2.gz JZQJDDKYJCIUHA-VIFPVBQESA-N -1 3 237.274 2.085 20 0 BEADHM C[C@H]1CC[C@@H](CCC(=O)[N-]OC/C=C/Cl)O1 ZINC000291928641 177188386 /nfs/dbraw/zinc/18/83/86/177188386.db2.gz UXFUWRUWEWREJU-ZMNLKEFSSA-N -1 3 247.722 2.134 20 0 BEADHM C[C@H]1CC[C@H](C)N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000175448031 177197981 /nfs/dbraw/zinc/19/79/81/177197981.db2.gz WCPPPJCKPQGKGO-UWVGGRQHSA-N -1 3 249.310 2.358 20 0 BEADHM C[C@H]1CC[C@H](CC(=O)[N-]OCc2cccnc2)C1 ZINC000152621234 177201164 /nfs/dbraw/zinc/20/11/64/177201164.db2.gz CWDZNRHHTPUVEI-RYUDHWBXSA-N -1 3 248.326 2.456 20 0 BEADHM C[C@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000098018457 177340952 /nfs/dbraw/zinc/34/09/52/177340952.db2.gz YBNQGHZSPUKBSW-XPUUQOCRSA-N -1 3 209.220 2.126 20 0 BEADHM C[C@H]1C[C@@H]1c1ccc(CN(C)CCC(=O)[O-])o1 ZINC000105980651 177352111 /nfs/dbraw/zinc/35/21/11/177352111.db2.gz WXLMZTSIVTYDDH-ONGXEEELSA-N -1 3 237.299 2.310 20 0 BEADHM C[C@H]1OCCN(Cc2cc([O-])cc(F)c2)[C@@H]1C ZINC000186228553 177398195 /nfs/dbraw/zinc/39/81/95/177398195.db2.gz ZYDWMAAZZAFEGM-NXEZZACHSA-N -1 3 239.290 2.141 20 0 BEADHM C[C@]1(c2nc(-c3ccc([O-])cc3)no2)C[C@@H]1F ZINC000335653161 177480639 /nfs/dbraw/zinc/48/06/39/177480639.db2.gz USRGVHRMJYTROW-CABZTGNLSA-N -1 3 234.230 2.442 20 0 BEADHM C[C@@H]1CCN(C(=O)/C=C\c2cncc([O-])c2)[C@H]1C ZINC000492472966 226004863 /nfs/dbraw/zinc/00/48/63/226004863.db2.gz LKHYHTPRCBWNEO-CJOPTALJSA-N -1 3 246.310 2.057 20 0 BEADHM O=C(/C=C/c1cncs1)[N-]OCCC1CC1 ZINC000492851546 226067173 /nfs/dbraw/zinc/06/71/73/226067173.db2.gz IZIPKAUVDRRDOA-ONEGZZNKSA-N -1 3 238.312 2.004 20 0 BEADHM O=C(/C=C/C1CCCC1)[N-]OCC(F)(F)F ZINC000493113905 226130667 /nfs/dbraw/zinc/13/06/67/226130667.db2.gz GQPRPSPGIVOWAS-AATRIKPKSA-N -1 3 237.221 2.343 20 0 BEADHM Cc1ncccc1/C=C/C(=O)[N-]OCCC1CC1 ZINC000493734748 226251660 /nfs/dbraw/zinc/25/16/60/226251660.db2.gz AOGOYOUAIMBUSJ-VOTSOKGWSA-N -1 3 246.310 2.251 20 0 BEADHM Cc1cncc(/C=C\C(=O)[N-]OC2CCC2)c1 ZINC000493826045 226256104 /nfs/dbraw/zinc/25/61/04/226256104.db2.gz QXSJZQAJUNAMKL-WAYWQWQTSA-N -1 3 232.283 2.004 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CCCO1 ZINC000557182005 322935004 /nfs/dbraw/zinc/93/50/04/322935004.db2.gz GABKUNSLGHKEEQ-VIFPVBQESA-N -1 3 241.674 2.163 20 0 BEADHM CC(C)C[C@@H](C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000557533422 322938969 /nfs/dbraw/zinc/93/89/69/322938969.db2.gz MTDMJNMAYDXFNV-LLVKDONJSA-N -1 3 245.326 2.377 20 0 BEADHM C[C@@H]1CC[C@@H](C(=O)N=c2cc3ccccn3[n-]2)C1 ZINC000557539342 322939044 /nfs/dbraw/zinc/93/90/44/322939044.db2.gz WQCQILSAZQLREX-GHMZBOCLSA-N -1 3 243.310 2.131 20 0 BEADHM CCC1(CNc2ccncc2C(=O)[O-])CC1 ZINC000232975809 487679727 /nfs/dbraw/zinc/67/97/27/487679727.db2.gz AWSLGLZDRFNFBO-UHFFFAOYSA-N -1 3 220.272 2.382 20 0 BEADHM C[C@H]1CCCN1[C@H](C(=O)[O-])c1ccsc1 ZINC000145533377 487695296 /nfs/dbraw/zinc/69/52/96/487695296.db2.gz KVXNVGLDHIFFKQ-WPRPVWTQSA-N -1 3 225.313 2.358 20 0 BEADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1c([O-])cccc1O ZINC000397224123 262913261 /nfs/dbraw/zinc/91/32/61/262913261.db2.gz IAMQCUAYIQFOCR-SMDDNHRTSA-N -1 3 249.310 2.262 20 0 BEADHM O=C([N-]c1cccc2ocnc21)c1cocn1 ZINC000671224021 487721561 /nfs/dbraw/zinc/72/15/61/487721561.db2.gz ZTDLXJWCKWYJLP-UHFFFAOYSA-N -1 3 229.195 2.068 20 0 BEADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CC12CCC2 ZINC000675416581 487725154 /nfs/dbraw/zinc/72/51/54/487725154.db2.gz YAWXPIHETIDOSO-JTQLQIEISA-N -1 3 249.285 2.338 20 0 BEADHM CCN(C)C(=O)c1cc(SC)ccc1[O-] ZINC000666179215 487745827 /nfs/dbraw/zinc/74/58/27/487745827.db2.gz XQCBICISTREESH-UHFFFAOYSA-N -1 3 225.313 2.206 20 0 BEADHM C[C@@H](C(=O)[O-])N(C)Cc1ccc(F)cc1Cl ZINC000054070338 487762089 /nfs/dbraw/zinc/76/20/89/487762089.db2.gz OYMRWHZQNLXRRJ-ZETCQYMHSA-N -1 3 245.681 2.384 20 0 BEADHM Cc1ccc(C(=O)N2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC000672131799 487783252 /nfs/dbraw/zinc/78/32/52/487783252.db2.gz SKMYLHNWPKYINO-CMPLNLGQSA-N -1 3 231.295 2.325 20 0 BEADHM CC1(C)CC[C@H]1NC(=O)/C=C\c1cncc([O-])c1 ZINC000493535446 487823026 /nfs/dbraw/zinc/82/30/26/487823026.db2.gz YQDXJYRFQRCEER-VSQXVHSFSA-N -1 3 246.310 2.105 20 0 BEADHM CC(C)O[N-]C(=O)/C=C\c1ccsc1 ZINC000493079633 528043923 /nfs/dbraw/zinc/04/39/23/528043923.db2.gz GKODLDSKGOIGPJ-ARJAWSKDSA-N -1 3 211.286 2.218 20 0 BEADHM COc1ccc([O-])c(-c2nc(CC3CC3)no2)c1 ZINC000149306214 322951347 /nfs/dbraw/zinc/95/13/47/322951347.db2.gz RTLHKWFYFFDJQQ-UHFFFAOYSA-N -1 3 246.266 2.403 20 0 BEADHM C[C@@H]1CCC[C@H](N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000682396206 487946967 /nfs/dbraw/zinc/94/69/67/487946967.db2.gz RCLKFNHNEDBVEP-ZJUUUORDSA-N -1 3 245.330 2.107 20 0 BEADHM O=C(c1ccccc1[O-])N1C[C@@H]2CCC[C@@H]2C1 ZINC000148884810 322939196 /nfs/dbraw/zinc/93/91/96/322939196.db2.gz RNPGHWJBMURLGF-PHIMTYICSA-N -1 3 231.295 2.264 20 0 BEADHM [O-]c1cccnc1CSC1CCOCC1 ZINC000559629760 322978779 /nfs/dbraw/zinc/97/87/79/322978779.db2.gz GDACIYVCKCZQRW-UHFFFAOYSA-N -1 3 225.313 2.199 20 0 BEADHM Cc1cc(CC(=O)Nc2ccc(C)cc2[O-])on1 ZINC000561092014 322995452 /nfs/dbraw/zinc/99/54/52/322995452.db2.gz PHDFROGXTYTTIV-UHFFFAOYSA-N -1 3 246.266 2.178 20 0 BEADHM CCc1cccc(C(=O)NCC(C)(F)F)c1[O-] ZINC000561533522 323003561 /nfs/dbraw/zinc/00/35/61/323003561.db2.gz CELGMTBCCBAXBM-UHFFFAOYSA-N -1 3 243.253 2.340 20 0 BEADHM O=c1cc(C=Cc2csnn2)nc(C2CC2)[n-]1 ZINC000562288567 323015016 /nfs/dbraw/zinc/01/50/16/323015016.db2.gz LTZOBQOYKQTTFT-ARJAWSKDSA-N -1 3 246.295 2.082 20 0 BEADHM C[C@@H]1CCCN1Cc1csc(C(=O)[O-])c1 ZINC000570338137 323056896 /nfs/dbraw/zinc/05/68/96/323056896.db2.gz MTDANDVZZHZWJA-MRVPVSSYSA-N -1 3 225.313 2.431 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CC23CCCC3)c1C ZINC000531801776 323114112 /nfs/dbraw/zinc/11/41/12/323114112.db2.gz FBUYGGZOGBRDST-JTQLQIEISA-N -1 3 247.342 2.221 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@H]2CC[C@H](C)CC2)c1C ZINC000563335061 323119360 /nfs/dbraw/zinc/11/93/60/323119360.db2.gz UADIQFFDGKRKRS-HOMQSWHASA-N -1 3 249.358 2.467 20 0 BEADHM C[C@H]1CCN([C@H](C(=O)[O-])c2ccsc2)C1 ZINC000563543386 323129608 /nfs/dbraw/zinc/12/96/08/323129608.db2.gz USAMEFCIDVJQSF-WPRPVWTQSA-N -1 3 225.313 2.216 20 0 BEADHM CC(C)[C@@H](O)C(=O)Nc1c([O-])cccc1Cl ZINC000571416100 323144335 /nfs/dbraw/zinc/14/43/35/323144335.db2.gz HDRNLFXSGJMLGN-SNVBAGLBSA-N -1 3 243.690 2.001 20 0 BEADHM CC(C)(C)N=c1[n-]nc(C2CC2)n1C1CC1 ZINC000571571745 323148273 /nfs/dbraw/zinc/14/82/73/323148273.db2.gz QPOKCQROOBCJBK-UHFFFAOYSA-N -1 3 220.320 2.123 20 0 BEADHM CN(Cc1nc(=O)c2sccc2[n-]1)CC1CC1 ZINC000048580008 323154402 /nfs/dbraw/zinc/15/44/02/323154402.db2.gz JLYCEAVUTUUGAM-UHFFFAOYSA-N -1 3 249.339 2.239 20 0 BEADHM CO[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000049094134 323157267 /nfs/dbraw/zinc/15/72/67/323157267.db2.gz IEEINRGCLXCIFU-LURJTMIESA-N -1 3 229.663 2.019 20 0 BEADHM CCc1ncc(C(=O)Nc2ncccc2[O-])s1 ZINC000049168336 323158522 /nfs/dbraw/zinc/15/85/22/323158522.db2.gz ZPWKGZUNRMMPJK-UHFFFAOYSA-N -1 3 249.295 2.058 20 0 BEADHM CC/C=C/CNC(=O)c1ccc(C)cc1[O-] ZINC000395122717 323188237 /nfs/dbraw/zinc/18/82/37/323188237.db2.gz YPUNYBWVMXZPPY-SNAWJCMRSA-N -1 3 219.284 2.397 20 0 BEADHM Cc1cc(NC(=O)c2ccc(C)c(C)c2[O-])n[nH]1 ZINC000113418228 323189026 /nfs/dbraw/zinc/18/90/26/323189026.db2.gz BIWBMZTVLSMLQS-UHFFFAOYSA-N -1 3 245.282 2.293 20 0 BEADHM O=C(NCc1ccsc1)c1ccccc1[O-] ZINC000042938203 323255617 /nfs/dbraw/zinc/25/56/17/323255617.db2.gz ROUJYCWQAKGYQN-UHFFFAOYSA-N -1 3 233.292 2.384 20 0 BEADHM Cc1ncsc1C(=O)Nc1ccccc1[O-] ZINC000043285320 323273315 /nfs/dbraw/zinc/27/33/15/323273315.db2.gz ZJMYGEHQKGTIKC-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H]2[C@H](C)[C@@H]2C2CC2)n1 ZINC000529203192 324259205 /nfs/dbraw/zinc/25/92/05/324259205.db2.gz NLHIKMYISVJFHN-GGZOMVNGSA-N -1 3 246.310 2.326 20 0 BEADHM O=C(NCCCC1CC1)c1ccccc1[O-] ZINC000124544695 324618673 /nfs/dbraw/zinc/61/86/73/324618673.db2.gz ZIDNMRYWJGHANR-UHFFFAOYSA-N -1 3 219.284 2.312 20 0 BEADHM COCCCCC[S@@](=O)c1ccc([O-])cc1 ZINC000128636340 324861653 /nfs/dbraw/zinc/86/16/53/324861653.db2.gz NKGZFDRSEAJNQI-INIZCTEOSA-N -1 3 242.340 2.317 20 0 BEADHM CC1(C)CCN1C(=O)c1cccc([O-])c1 ZINC000543747130 325109153 /nfs/dbraw/zinc/10/91/53/325109153.db2.gz FUPHYCDFEMUFBO-UHFFFAOYSA-N -1 3 205.257 2.017 20 0 BEADHM COc1cccc(C(=O)N[C@H]2CC[C@@H](C)C2)c1[O-] ZINC000132938656 325255363 /nfs/dbraw/zinc/25/53/63/325255363.db2.gz UVDYNENRXOGEIK-ZJUUUORDSA-N -1 3 249.310 2.319 20 0 BEADHM C[C@@H]1CCC[C@@H]1CNC(=O)c1csc(=O)[n-]1 ZINC000547422759 325352943 /nfs/dbraw/zinc/35/29/43/325352943.db2.gz UIGSFYDTWCDKAX-HTQZYQBOSA-N -1 3 240.328 2.015 20 0 BEADHM CCCCN(C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554438190 325720190 /nfs/dbraw/zinc/72/01/90/325720190.db2.gz BPYVHFFPTQCAKW-UHFFFAOYSA-N -1 3 246.314 2.020 20 0 BEADHM O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccc(O)cc1[O-] ZINC000566135329 326001661 /nfs/dbraw/zinc/00/16/61/326001661.db2.gz SQKIKARNEUTDPO-NWDGAFQWSA-N -1 3 247.294 2.016 20 0 BEADHM O=C(N[C@H]1CCC[C@@H](F)C1)c1ccccc1[O-] ZINC000566263235 326026123 /nfs/dbraw/zinc/02/61/23/326026123.db2.gz ZTMQGERADWMARU-ZJUUUORDSA-N -1 3 237.274 2.403 20 0 BEADHM CCc1cccc(C(=O)NCCCF)c1[O-] ZINC000154259419 326136878 /nfs/dbraw/zinc/13/68/78/326136878.db2.gz OGIGSOWTRFRDTO-UHFFFAOYSA-N -1 3 225.263 2.044 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCCc2ccc[nH]2)c1 ZINC000154261711 326137605 /nfs/dbraw/zinc/13/76/05/326137605.db2.gz JNOGZVXJCUMPBF-UHFFFAOYSA-N -1 3 244.294 2.001 20 0 BEADHM CC[C@@H](C(=O)[O-])N(C)Cc1ccncc1Cl ZINC000084085756 487998755 /nfs/dbraw/zinc/99/87/55/487998755.db2.gz IKNKBHPTIPQIJV-JTQLQIEISA-N -1 3 242.706 2.030 20 0 BEADHM C=C/C(C)=C/CC(=O)Nc1ncccc1[O-] ZINC000682692683 488019267 /nfs/dbraw/zinc/01/92/67/488019267.db2.gz QRHKTJSAESLIGL-RMKNXTFCSA-N -1 3 218.256 2.248 20 0 BEADHM CC[C@H](C(=O)[O-])N1CC[C@H]1c1cccc(F)c1 ZINC000682852972 488054060 /nfs/dbraw/zinc/05/40/60/488054060.db2.gz KQUCLTBCBPFMLQ-NEPJUHHUSA-N -1 3 237.274 2.436 20 0 BEADHM COc1ccc(F)c([N-]C(=O)c2cnco2)c1 ZINC000677565555 488075668 /nfs/dbraw/zinc/07/56/68/488075668.db2.gz RQRKMHBNAZTMIL-UHFFFAOYSA-N -1 3 236.202 2.075 20 0 BEADHM C[C@H]1C[C@H](C)CN(c2ccncc2C(=O)[O-])C1 ZINC000125909631 488091873 /nfs/dbraw/zinc/09/18/73/488091873.db2.gz CODITQJCMXIYLL-UWVGGRQHSA-N -1 3 234.299 2.262 20 0 BEADHM CC(C)[C@@H](CO)[N-]c1nc(-c2ccccc2)no1 ZINC000674249005 487536841 /nfs/dbraw/zinc/53/68/41/487536841.db2.gz ZZQAPIWGSFARKD-LLVKDONJSA-N -1 3 247.298 2.165 20 0 BEADHM Cc1ccncc1C(=O)Nc1ccc([O-])cc1F ZINC000335757480 488132041 /nfs/dbraw/zinc/13/20/41/488132041.db2.gz SAGAGHOJOLBUDD-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM O=C([O-])[C@H]1CN(CCCF)Cc2ccccc21 ZINC000161056172 487474078 /nfs/dbraw/zinc/47/40/78/487474078.db2.gz ISDMYVDMQRKOOO-LBPRGKRZSA-N -1 3 237.274 2.030 20 0 BEADHM O[C@@H]1CCC[C@H]1[N-]c1nc(-c2ccccc2)no1 ZINC000665728263 487526291 /nfs/dbraw/zinc/52/62/91/487526291.db2.gz WVVVBVUKONZOOK-GHMZBOCLSA-N -1 3 245.282 2.062 20 0 BEADHM Cc1conc1[N-]C(=O)c1nc(C)c(C)s1 ZINC000683561433 488196153 /nfs/dbraw/zinc/19/61/53/488196153.db2.gz GTRUJZKDVOZLHH-UHFFFAOYSA-N -1 3 237.284 2.309 20 0 BEADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)CC1CC1 ZINC000085828079 488210655 /nfs/dbraw/zinc/21/06/55/488210655.db2.gz CMCUDVJZYYHJKW-QMMMGPOBSA-N -1 3 223.272 2.381 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2ccoc2)n1 ZINC000684089317 488265507 /nfs/dbraw/zinc/26/55/07/488265507.db2.gz SWDWFFUVOBTJRG-SNVBAGLBSA-N -1 3 247.298 2.277 20 0 BEADHM Cc1nc2c(cccc2C(=O)[N-]c2cnoc2)o1 ZINC000684208385 488276945 /nfs/dbraw/zinc/27/69/45/488276945.db2.gz VFPNCJNUKJJDLL-UHFFFAOYSA-N -1 3 243.222 2.377 20 0 BEADHM Cc1cccc([O-])c1NC(=O)c1ccc(=O)[nH]c1 ZINC000679320848 488335436 /nfs/dbraw/zinc/33/54/36/488335436.db2.gz SHTPOZGTAHAVBR-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM C[C@H](C(=O)NCc1ncccc1[O-])C1CCCC1 ZINC000684351136 488298548 /nfs/dbraw/zinc/29/85/48/488298548.db2.gz SZCCBHWEBYCLLC-JTQLQIEISA-N -1 3 248.326 2.230 20 0 BEADHM Cc1ccc([O-])c(CN2CC[C@H](C)[C@H](F)C2)n1 ZINC000679359881 488345821 /nfs/dbraw/zinc/34/58/21/488345821.db2.gz ROTXTOOWUGRRNX-GXSJLCMTSA-N -1 3 238.306 2.276 20 0 BEADHM Cc1ccc(CN(CCC(=O)[O-])C(C)C)nc1 ZINC000156658548 490269941 /nfs/dbraw/zinc/26/99/41/490269941.db2.gz WQGNCNWXWRWBIE-UHFFFAOYSA-N -1 3 236.315 2.075 20 0 BEADHM Cc1cccc(C(=O)NC2CC=CC2)c1[O-] ZINC000131226162 490628350 /nfs/dbraw/zinc/62/83/50/490628350.db2.gz JATHGXRWBQHLOO-UHFFFAOYSA-N -1 3 217.268 2.149 20 0 BEADHM CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000082319754 491143725 /nfs/dbraw/zinc/14/37/25/491143725.db2.gz UZOXRVZSJPNZOL-UHFFFAOYSA-N -1 3 215.252 2.295 20 0 BEADHM c1nnc([N-]Cc2cc3ccccc3[nH]2)o1 ZINC000309361463 491147516 /nfs/dbraw/zinc/14/75/16/491147516.db2.gz OUMXDDQMRVIXOY-UHFFFAOYSA-N -1 3 214.228 2.163 20 0 BEADHM Cc1nc(O[C@@H]2CCC(F)(F)C2)cc(=O)[n-]1 ZINC001226512853 974938403 /nfs/dbraw/zinc/93/84/03/974938403.db2.gz VSWMOZPRJMEYML-SSDOTTSWSA-N -1 3 230.214 2.057 20 0 BEADHM CCOCCC1(C(=O)[N-]OC2CCC2)CCC1 ZINC000812794466 582566183 /nfs/dbraw/zinc/56/61/83/582566183.db2.gz FOQVGDYTJRVPIN-UHFFFAOYSA-N -1 3 241.331 2.184 20 0 BEADHM C[C@@H](N(C)c1cc(=O)[n-]cn1)C(C)(C)C ZINC000891720437 582714345 /nfs/dbraw/zinc/71/43/45/582714345.db2.gz KZIVTYFYLGGGDA-MRVPVSSYSA-N -1 3 209.293 2.053 20 0 BEADHM CCn1ccnc1NC(=O)c1cccc(C)c1[O-] ZINC000335351183 536112446 /nfs/dbraw/zinc/11/24/46/536112446.db2.gz PRMCMDHEOONALZ-UHFFFAOYSA-N -1 3 245.282 2.169 20 0 BEADHM Cc1cnccc1/C=C/C(=O)[N-]OC1CCCC1 ZINC000493115166 534686080 /nfs/dbraw/zinc/68/60/80/534686080.db2.gz INKRNQRHDFETHG-VOTSOKGWSA-N -1 3 246.310 2.394 20 0 BEADHM CCCN(C(=O)/C=C\c1cncc([O-])c1)C1CC1 ZINC000493110014 527720534 /nfs/dbraw/zinc/72/05/34/527720534.db2.gz YKPMODIALPGMBA-UTCJRWHESA-N -1 3 246.310 2.201 20 0 BEADHM CCC[C@@H]1C[C@H]1NC(=O)/C=C\c1cncc([O-])c1 ZINC000493217498 527850864 /nfs/dbraw/zinc/85/08/64/527850864.db2.gz JVLIUCCFKUEBAA-FTGSRHIXSA-N -1 3 246.310 2.105 20 0 BEADHM CCC(C)(C)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000492022595 528536143 /nfs/dbraw/zinc/53/61/43/528536143.db2.gz WOYXRYQEZQOMHS-SREVYHEPSA-N -1 3 248.326 2.447 20 0 BEADHM CCOCCO[N-]C(=O)/C=C\c1ccccc1C ZINC000492735885 528815916 /nfs/dbraw/zinc/81/59/16/528815916.db2.gz LRANMXAUJZVRFB-HJWRWDBZSA-N -1 3 249.310 2.093 20 0 BEADHM CC[C@H]1CCCN1C(=O)/C=C/c1cncc([O-])c1 ZINC000492476184 529218542 /nfs/dbraw/zinc/21/85/42/529218542.db2.gz SKJNQCWPYCKZIG-FYJFLYSWSA-N -1 3 246.310 2.201 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)/C=C\c1ncccc1C ZINC000492838172 529328179 /nfs/dbraw/zinc/32/81/79/529328179.db2.gz JZCYXEPNQACDSD-SKVAFPRGSA-N -1 3 248.326 2.497 20 0 BEADHM CCOCCC(=O)N1CCCc2cccc([O-])c21 ZINC000063063950 535449858 /nfs/dbraw/zinc/44/98/58/535449858.db2.gz LKPDGZLVEGNAOI-UHFFFAOYSA-N -1 3 249.310 2.098 20 0 BEADHM CCO[C@@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000272590510 535729266 /nfs/dbraw/zinc/72/92/66/535729266.db2.gz XDURMLYGUQHXOS-JTQLQIEISA-N -1 3 249.310 2.096 20 0 BEADHM CCOC(=O)Cc1ccc([O-])cc1Cl ZINC000238259989 535749611 /nfs/dbraw/zinc/74/96/11/535749611.db2.gz HONYIFUUEADJLX-UHFFFAOYSA-N -1 3 214.648 2.151 20 0 BEADHM CC[C@H](C)[C@@H](OC)C(=O)[N-]c1onc(C)c1C ZINC000359581270 535910665 /nfs/dbraw/zinc/91/06/65/535910665.db2.gz UEFHYSJZAKQYGQ-OIBJUYFYSA-N -1 3 240.303 2.291 20 0 BEADHM CCc1cc(C(=O)N2CC(CC)C2)ccc1[O-] ZINC000335096324 536102988 /nfs/dbraw/zinc/10/29/88/536102988.db2.gz NQZRCXDTLVIRRN-UHFFFAOYSA-N -1 3 233.311 2.437 20 0 BEADHM CCOC([O-])=NOC[C@H](CC)CC(F)F ZINC000853728409 588759784 /nfs/dbraw/zinc/75/97/84/588759784.db2.gz ZAUBKHOCOVSEQN-SSDOTTSWSA-N -1 3 225.235 2.346 20 0 BEADHM CCOC(=O)[N-]OC[C@H](CC)CC(F)F ZINC000853728409 588759785 /nfs/dbraw/zinc/75/97/85/588759785.db2.gz ZAUBKHOCOVSEQN-SSDOTTSWSA-N -1 3 225.235 2.346 20 0 BEADHM C[C@H]1CCCC[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000112022441 588780496 /nfs/dbraw/zinc/78/04/96/588780496.db2.gz NVCPPYLLAYMUPP-JGVFFNPUSA-N -1 3 223.238 2.491 20 0 BEADHM CC1=CC[C@@](C)(C(=O)[N-]C2=NCCS2)CC1 ZINC000854292456 588782650 /nfs/dbraw/zinc/78/26/50/588782650.db2.gz FNSMTJWTAHSPMH-GFCCVEGCSA-N -1 3 238.356 2.342 20 0 BEADHM Cc1cc(C)cc(CC(=O)[N-]C2=NCCS2)c1 ZINC000854292176 588782702 /nfs/dbraw/zinc/78/27/02/588782702.db2.gz DFMVMOMFTZYSQX-UHFFFAOYSA-N -1 3 248.351 2.065 20 0 BEADHM CCC(F)(F)C(=O)[N-]Cc1occc1C ZINC000854601082 588796623 /nfs/dbraw/zinc/79/66/23/588796623.db2.gz LLNNEHUDKQSNSO-UHFFFAOYSA-N -1 3 217.215 2.250 20 0 BEADHM O=C(c1cc2sccc2c([O-])c1)N1CCOC1 ZINC000854807411 588811729 /nfs/dbraw/zinc/81/17/29/588811729.db2.gz SZENMPDYOOUMMQ-UHFFFAOYSA-N -1 3 249.291 2.037 20 0 BEADHM CCC(F)(F)C(=O)[N-][C@H]1C[C@H](C)n2ccnc21 ZINC000854845195 588813005 /nfs/dbraw/zinc/81/30/05/588813005.db2.gz KTHNYJNUVIFKCR-YUMQZZPRSA-N -1 3 243.257 2.050 20 0 BEADHM C[C@@H](CC(=O)[N-]OC1CCC1)n1cccc1 ZINC000812795651 582566537 /nfs/dbraw/zinc/56/65/37/582566537.db2.gz GQRFEMAJRSWARA-JTQLQIEISA-N -1 3 222.288 2.040 20 0 BEADHM CSCCCN(C)Cc1ccc(C(=O)[O-])o1 ZINC000300788560 582581651 /nfs/dbraw/zinc/58/16/51/582581651.db2.gz CMFREQFCLCRLCC-UHFFFAOYSA-N -1 3 243.328 2.163 20 0 BEADHM CC[C@H](C)CCNC(=O)/C=C\c1cncc([O-])c1 ZINC000855388912 588830776 /nfs/dbraw/zinc/83/07/76/588830776.db2.gz XDSFOFDBRTUFMA-WYGGZMRJSA-N -1 3 248.326 2.353 20 0 BEADHM C[C@@H]1CN(Cc2ccc([O-])c(F)c2)CCS1 ZINC000891926250 582739272 /nfs/dbraw/zinc/73/92/72/582739272.db2.gz WGFOBCPTGYUMLX-SECBINFHSA-N -1 3 241.331 2.469 20 0 BEADHM Cc1cc(C(=O)N[C@@H]2C=CCC2)ccc1[O-] ZINC000829344056 582856484 /nfs/dbraw/zinc/85/64/84/582856484.db2.gz SQCZMCJWOIXZLG-LLVKDONJSA-N -1 3 217.268 2.149 20 0 BEADHM O=C([N-]CC1=CCCC1)C(F)(F)C(F)F ZINC000856095866 588860295 /nfs/dbraw/zinc/86/02/95/588860295.db2.gz LZVTULLUIAWZGZ-UHFFFAOYSA-N -1 3 225.185 2.113 20 0 BEADHM O=C(/C=C/c1cncc([O-])c1)NCC1=CCCC1 ZINC000856096676 588860309 /nfs/dbraw/zinc/86/03/09/588860309.db2.gz MARRXMUHINDPIL-AATRIKPKSA-N -1 3 244.294 2.027 20 0 BEADHM CC(C)n1cc([C@H](C)Nc2cc(=O)[n-]cn2)cn1 ZINC000892504879 582900699 /nfs/dbraw/zinc/90/06/99/582900699.db2.gz DPASGESIMLTKMU-VIFPVBQESA-N -1 3 247.302 2.133 20 0 BEADHM C[C@H]1c2ccccc2CCN1c1cc(=O)[n-]cn1 ZINC000892803020 582984983 /nfs/dbraw/zinc/98/49/83/582984983.db2.gz WTHGPDLVVAUPGJ-JTQLQIEISA-N -1 3 241.294 2.306 20 0 BEADHM C/C(=C/c1ccncc1)C(=O)[N-]OCC1CCC1 ZINC000856341450 588868172 /nfs/dbraw/zinc/86/81/72/588868172.db2.gz DLAIGFUKPWQKHT-LUAWRHEFSA-N -1 3 246.310 2.333 20 0 BEADHM CSCC1(CC(=O)[N-]OCC2CCC2)CC1 ZINC000856342652 588868182 /nfs/dbraw/zinc/86/81/82/588868182.db2.gz WGCZOGJJHNXEBA-UHFFFAOYSA-N -1 3 243.372 2.368 20 0 BEADHM Cc1cccc(C(=O)NOCC2CCC2)c1[O-] ZINC000856345738 588868616 /nfs/dbraw/zinc/86/86/16/588868616.db2.gz IXMIFQUNJIWFGQ-UHFFFAOYSA-N -1 3 235.283 2.162 20 0 BEADHM C[C@@H]1CC[C@@H](CCC(=O)[N-]OCC2CCC2)O1 ZINC000856347769 588869045 /nfs/dbraw/zinc/86/90/45/588869045.db2.gz BLFLXVFBBWNDRF-PWSUYJOCSA-N -1 3 241.331 2.182 20 0 BEADHM CSCCCCC(=O)[N-]OCC1CCC1 ZINC000856349202 588869274 /nfs/dbraw/zinc/86/92/74/588869274.db2.gz JYHACYGQLGRQHU-UHFFFAOYSA-N -1 3 231.361 2.368 20 0 BEADHM Cc1cncc(/C=C\C(=O)[N-]OCC2CCC2)c1 ZINC000856348895 588869389 /nfs/dbraw/zinc/86/93/89/588869389.db2.gz SYXLUXNMZJCCSD-WAYWQWQTSA-N -1 3 246.310 2.251 20 0 BEADHM CCc1ccc([O-])c(C(=O)NOCC2CCC2)c1 ZINC000856349981 588869586 /nfs/dbraw/zinc/86/95/86/588869586.db2.gz NCSZXGUHHFSNNA-UHFFFAOYSA-N -1 3 249.310 2.416 20 0 BEADHM Cc1cc(C(=O)NOCC2CCC2)ccc1[O-] ZINC000856349774 588869633 /nfs/dbraw/zinc/86/96/33/588869633.db2.gz JIYCRCVZMPBNKX-UHFFFAOYSA-N -1 3 235.283 2.162 20 0 BEADHM O=C(CCC(F)(F)F)[N-]OCC1CCC1 ZINC000856349914 588869693 /nfs/dbraw/zinc/86/96/93/588869693.db2.gz UXLVUDZMHDGLHQ-UHFFFAOYSA-N -1 3 225.210 2.177 20 0 BEADHM CC(C)OCCCC(=O)[N-]OCC1CCC1 ZINC000856350546 588869928 /nfs/dbraw/zinc/86/99/28/588869928.db2.gz YZWBLJZXLJRWMO-UHFFFAOYSA-N -1 3 229.320 2.040 20 0 BEADHM CC1(C2CC2)CCN(c2cc(=O)[n-]cn2)CC1 ZINC000893914727 583246079 /nfs/dbraw/zinc/24/60/79/583246079.db2.gz XDXHAYCYALPZOU-UHFFFAOYSA-N -1 3 233.315 2.199 20 0 BEADHM CC[C@@H]1CC[C@H](C)N(c2cc(=O)[n-]cn2)C1 ZINC000894114343 583309434 /nfs/dbraw/zinc/30/94/34/583309434.db2.gz NDMJYAARTLAUCI-VHSXEESVSA-N -1 3 221.304 2.197 20 0 BEADHM CSCC1(CCNc2cc(=O)[n-]cn2)CC1 ZINC000894519402 583476561 /nfs/dbraw/zinc/47/65/61/583476561.db2.gz IUAJWVJULOGEIB-UHFFFAOYSA-N -1 3 239.344 2.127 20 0 BEADHM C[C@]1(CNc2cc(=O)[n-]cn2)C[C@H]2C[C@H]2C1 ZINC000894772236 583516884 /nfs/dbraw/zinc/51/68/84/583516884.db2.gz GCRQWLMJXMYVHE-GDGBQDQQSA-N -1 3 219.288 2.030 20 0 BEADHM Cc1nc(N[C@@H]2CCCC[C@@H]2F)cc(=O)[n-]1 ZINC000894924762 583556820 /nfs/dbraw/zinc/55/68/20/583556820.db2.gz ARLJICCBPNJTRX-DTWKUNHWSA-N -1 3 225.267 2.183 20 0 BEADHM CCC(=O)COC(=O)c1ccc(Cl)cc1[O-] ZINC000727180209 583620055 /nfs/dbraw/zinc/62/00/55/583620055.db2.gz 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MDMCPIHGJWEZNJ-UHFFFAOYSA-N -1 3 242.731 2.494 20 0 BEADHM CCO[N-]C(=O)CC1CC(OC(C)(C)C)C1 ZINC000754174061 585279682 /nfs/dbraw/zinc/27/96/82/585279682.db2.gz OTGTXJHNKVIIAT-UHFFFAOYSA-N -1 3 229.320 2.038 20 0 BEADHM O=C([N-]OCc1ccc(F)cc1)C1=CCCC1 ZINC000754711438 585289687 /nfs/dbraw/zinc/28/96/87/585289687.db2.gz CHUNJKQIURKNSJ-UHFFFAOYSA-N -1 3 235.258 2.484 20 0 BEADHM CS/C=C/C(=O)[N-]OCc1ccc(F)cc1 ZINC000754724645 585289940 /nfs/dbraw/zinc/28/99/40/585289940.db2.gz RWBCZUKBKJXOGU-VOTSOKGWSA-N -1 3 241.287 2.250 20 0 BEADHM CS/C=C\C(=O)[N-]OCc1ccc(F)cc1 ZINC000754724643 585290029 /nfs/dbraw/zinc/29/00/29/585290029.db2.gz RWBCZUKBKJXOGU-SREVYHEPSA-N -1 3 241.287 2.250 20 0 BEADHM CC(C)(C)c1cc(C(=O)[N-]c2ccon2)no1 ZINC000755747886 585305557 /nfs/dbraw/zinc/30/55/57/585305557.db2.gz ZKOZSCKFCWKICT-UHFFFAOYSA-N -1 3 235.243 2.212 20 0 BEADHM O=C([N-]c1ccon1)c1ccc(F)c(F)c1F ZINC000755758172 585305843 /nfs/dbraw/zinc/30/58/43/585305843.db2.gz XJFLAUGWNHCUGK-UHFFFAOYSA-N -1 3 242.156 2.344 20 0 BEADHM C/C=C/COC(=O)c1ccc([O-])c(OC)c1 ZINC000757100209 585328516 /nfs/dbraw/zinc/32/85/16/585328516.db2.gz GTJHRGCMDXIDBJ-ONEGZZNKSA-N -1 3 222.240 2.134 20 0 BEADHM Cc1cc([O-])ccc1C(=O)OC[C@@H]1CCCO1 ZINC000758517706 585356782 /nfs/dbraw/zinc/35/67/82/585356782.db2.gz SEBJFBHLPRRUDQ-NSHDSACASA-N -1 3 236.267 2.036 20 0 BEADHM Cc1cnc(COC(=O)c2ccc([O-])cc2C)o1 ZINC000758544794 585357189 /nfs/dbraw/zinc/35/71/89/585357189.db2.gz FLCVVCFWQJLRNK-UHFFFAOYSA-N -1 3 247.250 2.354 20 0 BEADHM [O-]C(=NOCC(F)F)Nc1ccccc1F ZINC000758825021 585360313 /nfs/dbraw/zinc/36/03/13/585360313.db2.gz BILCDAGILMIEAA-UHFFFAOYSA-N -1 3 234.177 2.144 20 0 BEADHM O=C([N-]OCC(F)F)Nc1ccccc1F ZINC000758825021 585360314 /nfs/dbraw/zinc/36/03/14/585360314.db2.gz BILCDAGILMIEAA-UHFFFAOYSA-N -1 3 234.177 2.144 20 0 BEADHM CCCC1(C(=O)[N-]OCC(F)F)CCC1 ZINC000759333707 585368232 /nfs/dbraw/zinc/36/82/32/585368232.db2.gz CWMJYJGXQGPNLP-UHFFFAOYSA-N -1 3 221.247 2.270 20 0 BEADHM CCC(=CC(=O)[N-]OCC(F)F)CC ZINC000759339687 585368744 /nfs/dbraw/zinc/36/87/44/585368744.db2.gz OKRADKALUKGSRH-UHFFFAOYSA-N -1 3 207.220 2.046 20 0 BEADHM CCCc1nc(C(=O)[N-]c2cc(C)on2)co1 ZINC000759389777 585371896 /nfs/dbraw/zinc/37/18/96/585371896.db2.gz SFWFRKWUCJLQTE-UHFFFAOYSA-N -1 3 235.243 2.176 20 0 BEADHM O=C([N-]OCc1ccccc1)[C@H]1CC12CCC2 ZINC000759695077 585378627 /nfs/dbraw/zinc/37/86/27/585378627.db2.gz XLOPAGJBPDRING-GFCCVEGCSA-N -1 3 231.295 2.425 20 0 BEADHM O=C([N-]OCc1ccccc1)[C@@H]1CC12CCC2 ZINC000759695079 585378704 /nfs/dbraw/zinc/37/87/04/585378704.db2.gz XLOPAGJBPDRING-LBPRGKRZSA-N -1 3 231.295 2.425 20 0 BEADHM Cc1cc(F)cc(NC([O-])=NOCC(F)F)c1 ZINC000759992635 585383942 /nfs/dbraw/zinc/38/39/42/585383942.db2.gz AYXPNPIQORNCDY-UHFFFAOYSA-N -1 3 248.204 2.452 20 0 BEADHM Cc1cc(F)cc(NC(=O)[N-]OCC(F)F)c1 ZINC000759992635 585383943 /nfs/dbraw/zinc/38/39/43/585383943.db2.gz AYXPNPIQORNCDY-UHFFFAOYSA-N -1 3 248.204 2.452 20 0 BEADHM CCO[N-]C(=O)Nc1cnc2c(c1)CCCC2 ZINC000760030830 585384467 /nfs/dbraw/zinc/38/44/67/585384467.db2.gz MLUYNLBERRRUAC-UHFFFAOYSA-N -1 3 235.287 2.033 20 0 BEADHM Cc1cc(=O)[n-]c(CN2CC[C@@H](CC(C)C)C2)n1 ZINC000761885557 585422507 /nfs/dbraw/zinc/42/25/07/585422507.db2.gz DMPQPWCSBZVUAV-LBPRGKRZSA-N -1 3 249.358 2.359 20 0 BEADHM C/C=C\CSCc1nc(C)cc(=O)[n-]1 ZINC000763209618 585444511 /nfs/dbraw/zinc/44/45/11/585444511.db2.gz SREHZRAXONIARG-ARJAWSKDSA-N -1 3 210.302 2.300 20 0 BEADHM COCc1cccc(C=Cc2nccc(=O)[n-]2)c1 ZINC000764441269 585465513 /nfs/dbraw/zinc/46/55/13/585465513.db2.gz FQWQHHNHFIFSHS-AATRIKPKSA-N -1 3 242.278 2.499 20 0 BEADHM C[C@H](CO)COC(=O)c1cc2ccsc2[n-]1 ZINC000766677778 585505286 /nfs/dbraw/zinc/50/52/86/585505286.db2.gz OOYVOFIPJINKGB-SSDOTTSWSA-N -1 3 239.296 2.015 20 0 BEADHM CCC/C(C)=C/C(=O)[N-]OCC(F)(F)F ZINC000766761284 585508088 /nfs/dbraw/zinc/50/80/88/585508088.db2.gz ATOCEBUTISJZQJ-FNORWQNLSA-N -1 3 225.210 2.343 20 0 BEADHM C[C@H]1CC/C(=C/C(=O)[N-]OCC(F)(F)F)C1 ZINC000766786159 585508332 /nfs/dbraw/zinc/50/83/32/585508332.db2.gz XMXYFSULTIEXHN-BJMRUTCWSA-N -1 3 237.221 2.343 20 0 BEADHM C[C@H]1CC[C@@H](OC(=O)c2ccc([O-])cc2O)C1 ZINC000767517441 585521722 /nfs/dbraw/zinc/52/17/22/585521722.db2.gz CUOOGLLIULUYRD-WCBMZHEXSA-N -1 3 236.267 2.443 20 0 BEADHM C[C@H]1CCC[C@H]1CC(=O)[N-]OCC(F)F ZINC000769456807 585557578 /nfs/dbraw/zinc/55/75/78/585557578.db2.gz OTAHKHYGHJSTDY-YUMQZZPRSA-N -1 3 221.247 2.126 20 0 BEADHM CC(=O)[N-]OCC1CCC(C(F)(F)F)CC1 ZINC000769829945 585564872 /nfs/dbraw/zinc/56/48/72/585564872.db2.gz KTZXQJVSGSAFOB-UHFFFAOYSA-N -1 3 239.237 2.423 20 0 BEADHM C[C@@H](CC(C)(C)C)C(=O)[N-]C1=NCCS1 ZINC000771928343 585604650 /nfs/dbraw/zinc/60/46/50/585604650.db2.gz LNKJUQPJBFCLKK-QMMMGPOBSA-N -1 3 228.361 2.278 20 0 BEADHM CC(=O)CCCOC(=O)c1c([O-])cccc1F ZINC000772579509 585618517 /nfs/dbraw/zinc/61/85/17/585618517.db2.gz MLDKDXPLCKLOCU-UHFFFAOYSA-N -1 3 240.230 2.057 20 0 BEADHM O=C(OCC1CCC1)c1c([O-])cccc1F ZINC000772590961 585618818 /nfs/dbraw/zinc/61/88/18/585618818.db2.gz FWIYEMFCTZMQSI-UHFFFAOYSA-N -1 3 224.231 2.488 20 0 BEADHM CC(C)(C)CCCC(=O)[N-]OC1CCOCC1 ZINC000772707681 585620404 /nfs/dbraw/zinc/62/04/04/585620404.db2.gz MAPYYTMPNRNWOF-UHFFFAOYSA-N -1 3 243.347 2.430 20 0 BEADHM O=C(NOc1ccccc1)c1ccccc1[O-] ZINC000773472620 585637647 /nfs/dbraw/zinc/63/76/47/585637647.db2.gz YHAUGDMCSCGNCI-UHFFFAOYSA-N -1 3 229.235 2.116 20 0 BEADHM Cc1n[n-]nc1C(=O)OCC1CCC(C)CC1 ZINC000805546048 585678705 /nfs/dbraw/zinc/67/87/05/585678705.db2.gz DBRRAJFGEXHGGS-UHFFFAOYSA-N -1 3 237.303 2.096 20 0 BEADHM Cc1n[n-]nc1C(=O)OC[C@@H]1CCC[C@H](C)C1 ZINC000805548113 585681339 /nfs/dbraw/zinc/68/13/39/585681339.db2.gz PTPZUPXEPNFUTC-WCBMZHEXSA-N -1 3 237.303 2.096 20 0 BEADHM O=C(C[C@H]1CCCCO1)[N-]OC1CCCCC1 ZINC000777963775 585724168 /nfs/dbraw/zinc/72/41/68/585724168.db2.gz ZTPYHOUWLMAHNK-GFCCVEGCSA-N -1 3 241.331 2.326 20 0 BEADHM COC[C@@H](C)CC(=O)[N-]OC1CCCCC1 ZINC000777948215 585724189 /nfs/dbraw/zinc/72/41/89/585724189.db2.gz ADKQUABTMZJKBQ-JTQLQIEISA-N -1 3 229.320 2.040 20 0 BEADHM O=C([N-]OC1CCCCC1)C1CC(F)(F)C1 ZINC000777965138 585724807 /nfs/dbraw/zinc/72/48/07/585724807.db2.gz YGQJWNWQWOILHT-UHFFFAOYSA-N -1 3 233.258 2.412 20 0 BEADHM C[C@H](CC(=O)[N-]OCCC(F)(F)F)C1CC1 ZINC000777973109 585724907 /nfs/dbraw/zinc/72/49/07/585724907.db2.gz NUCCCLXVRVQRHV-SSDOTTSWSA-N -1 3 239.237 2.423 20 0 BEADHM Cc1cccc([C@H](C)OC(=O)c2cnn[n-]2)c1 ZINC000805605216 585732023 /nfs/dbraw/zinc/73/20/23/585732023.db2.gz WRGLERBFHYEXIJ-VIFPVBQESA-N -1 3 231.255 2.031 20 0 BEADHM Cc1cccc([C@H](C)OC(=O)c2c[n-]nn2)c1 ZINC000805605216 585732024 /nfs/dbraw/zinc/73/20/24/585732024.db2.gz WRGLERBFHYEXIJ-VIFPVBQESA-N -1 3 231.255 2.031 20 0 BEADHM CCCC[C@@H](CCC)OC(=O)c1cnn[n-]1 ZINC000805609085 585735939 /nfs/dbraw/zinc/73/59/39/585735939.db2.gz MUDSTUOLDGKTLH-SECBINFHSA-N -1 3 225.292 2.320 20 0 BEADHM CCCC[C@@H](CCC)OC(=O)c1c[n-]nn1 ZINC000805609085 585735940 /nfs/dbraw/zinc/73/59/40/585735940.db2.gz MUDSTUOLDGKTLH-SECBINFHSA-N -1 3 225.292 2.320 20 0 BEADHM O=C(Cc1cccc(O)c1)[N-]OC1CCCCC1 ZINC000779321530 585750945 /nfs/dbraw/zinc/75/09/45/585750945.db2.gz BVSDVONBXZSOAS-UHFFFAOYSA-N -1 3 249.310 2.315 20 0 BEADHM CCC[C@@H](C)NC(=O)/C=C/c1cncc([O-])c1 ZINC000779651252 585758418 /nfs/dbraw/zinc/75/84/18/585758418.db2.gz HMEQZXSBFMWBCS-BRAIEQGRSA-N -1 3 234.299 2.105 20 0 BEADHM Cc1cnc([C@H](C)O[N-]C(=O)C(C)(C)C)o1 ZINC000781618021 585800748 /nfs/dbraw/zinc/80/07/48/585800748.db2.gz VLVWQMNKWSOOEI-QMMMGPOBSA-N -1 3 226.276 2.138 20 0 BEADHM C[C@@H]1CC[C@H](NC(=O)/C=C\c2cncc([O-])c2)C1 ZINC000781624046 585801102 /nfs/dbraw/zinc/80/11/02/585801102.db2.gz WPNOTFGJFWBZJX-FTXDBJGXSA-N -1 3 246.310 2.105 20 0 BEADHM Cc1ccc(-c2cc(C(=O)OC3CC3)[n-]n2)o1 ZINC000783198349 585830185 /nfs/dbraw/zinc/83/01/85/585830185.db2.gz KZFIKOUKSQOWHC-UHFFFAOYSA-N -1 3 232.239 2.297 20 0 BEADHM Cc1ccc(-c2cc(C(=O)OC3CC3)n[n-]2)o1 ZINC000783198349 585830186 /nfs/dbraw/zinc/83/01/86/585830186.db2.gz KZFIKOUKSQOWHC-UHFFFAOYSA-N -1 3 232.239 2.297 20 0 BEADHM Cc1ccc(CC(=O)[N-]OCCC2CC2)cc1 ZINC000783555219 585836752 /nfs/dbraw/zinc/83/67/52/585836752.db2.gz SPBIHZYKHDIPMO-UHFFFAOYSA-N -1 3 233.311 2.385 20 0 BEADHM CC(C)c1ocnc1C(=O)Nc1ncccc1[O-] ZINC000783644221 585839251 /nfs/dbraw/zinc/83/92/51/585839251.db2.gz BEPPWSQKVWVKHZ-UHFFFAOYSA-N -1 3 247.254 2.151 20 0 BEADHM COCC[C@@H](C)OC(=O)c1ccc(F)cc1[O-] ZINC000784325692 585855929 /nfs/dbraw/zinc/85/59/29/585855929.db2.gz SUJKWNLUCGVHJM-MRVPVSSYSA-N -1 3 242.246 2.113 20 0 BEADHM CC(C)[C@@H](F)C(=O)NCc1ccc([O-])c(F)c1 ZINC000784444563 585859739 /nfs/dbraw/zinc/85/97/39/585859739.db2.gz XNPKBYMEHBYKNG-LLVKDONJSA-N -1 3 243.253 2.142 20 0 BEADHM COCCCOC(=O)c1cc([O-])ccc1Cl ZINC000785870997 585882207 /nfs/dbraw/zinc/88/22/07/585882207.db2.gz WWYFEVPJJGKNJU-UHFFFAOYSA-N -1 3 244.674 2.239 20 0 BEADHM C/C=C/COC(=O)c1cc2occc2[n-]1 ZINC000786027407 585885481 /nfs/dbraw/zinc/88/54/81/585885481.db2.gz DTMNTXQXFDHDIU-NSCUHMNNSA-N -1 3 205.213 2.494 20 0 BEADHM O=C(COC(=O)c1cc2occc2[n-]1)C1CCC1 ZINC000786029556 585885786 /nfs/dbraw/zinc/88/57/86/585885786.db2.gz GDIAHYJQRBALCM-UHFFFAOYSA-N -1 3 247.250 2.287 20 0 BEADHM Cc1cnc(COC(=O)c2cc3occc3[n-]2)o1 ZINC000786031697 585885895 /nfs/dbraw/zinc/88/58/95/585885895.db2.gz OHFRSTVKCWLZKS-UHFFFAOYSA-N -1 3 246.222 2.414 20 0 BEADHM Cc1[n-]nc(C(C)C)c1C(=O)OCC1CC1 ZINC000786340053 585889928 /nfs/dbraw/zinc/88/99/28/585889928.db2.gz MXJVOEPQOYHQIM-UHFFFAOYSA-N -1 3 222.288 2.408 20 0 BEADHM Cc1n[n-]c(C(C)C)c1C(=O)OCC1CC1 ZINC000786340053 585889929 /nfs/dbraw/zinc/88/99/29/585889929.db2.gz MXJVOEPQOYHQIM-UHFFFAOYSA-N -1 3 222.288 2.408 20 0 BEADHM O=C([N-][C@H]1COc2ccc(Cl)cc21)C(F)F ZINC000787436633 585909656 /nfs/dbraw/zinc/90/96/56/585909656.db2.gz FOHKWLFQGIYCAG-ZETCQYMHSA-N -1 3 247.628 2.155 20 0 BEADHM CC[C@H](CC(F)(F)F)[N-]C(=O)C(F)F ZINC000787523698 585911098 /nfs/dbraw/zinc/91/10/98/585911098.db2.gz BSSXFDMQEAYCRE-SCSAIBSYSA-N -1 3 219.153 2.099 20 0 BEADHM C=C/C(C)=C\CC(=O)[N-]OCc1cccnc1 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/nfs/dbraw/zinc/01/50/40/586015040.db2.gz GPCGFYIMSRJZPS-UHFFFAOYSA-N -1 3 249.701 2.125 20 0 BEADHM CSCCO[N-]C(=O)Cc1ccsc1C ZINC000794189154 586034331 /nfs/dbraw/zinc/03/43/31/586034331.db2.gz WEVHZLBTYIODJA-UHFFFAOYSA-N -1 3 245.369 2.010 20 0 BEADHM CSCCO[N-]C(=O)C[C@H]1CCC[C@H]1C ZINC000794185191 586034353 /nfs/dbraw/zinc/03/43/53/586034353.db2.gz ZIBAWDRGVVDFTB-NXEZZACHSA-N -1 3 231.361 2.224 20 0 BEADHM CSCCO[N-]C(=O)C(C)(C)CC(C)C ZINC000794190256 586034723 /nfs/dbraw/zinc/03/47/23/586034723.db2.gz SRYTYHHBSIZSHR-UHFFFAOYSA-N -1 3 233.377 2.470 20 0 BEADHM CCC1(C(=O)[N-]OCCSC)CCCC1 ZINC000794191402 586034728 /nfs/dbraw/zinc/03/47/28/586034728.db2.gz DQAOZQDPNCJUMS-UHFFFAOYSA-N -1 3 231.361 2.368 20 0 BEADHM Cc1cc(C(=O)NOC/C=C\Cl)ccc1[O-] ZINC000794303009 586037686 /nfs/dbraw/zinc/03/76/86/586037686.db2.gz CMQOQNHXCCAOFP-DJWKRKHSSA-N -1 3 241.674 2.115 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)CC[C@H]1CC[C@H](C)O1 ZINC000794864272 586051966 /nfs/dbraw/zinc/05/19/66/586051966.db2.gz 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WUHSLVUOCXENGG-JTQLQIEISA-N -1 3 243.314 2.103 20 0 BEADHM CC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820989591 587086509 /nfs/dbraw/zinc/08/65/09/587086509.db2.gz WUHSLVUOCXENGG-JTQLQIEISA-N -1 3 243.314 2.103 20 0 BEADHM O=C(C[C@@H]1CCCC1(F)F)[N-]OC1CCC1 ZINC000821222655 587102621 /nfs/dbraw/zinc/10/26/21/587102621.db2.gz VBGVUBQJPJAAMG-QMMMGPOBSA-N -1 3 233.258 2.412 20 0 BEADHM Cc1c(NC/C=C/Cl)cccc1-c1nnn[n-]1 ZINC000822121284 587154732 /nfs/dbraw/zinc/15/47/32/587154732.db2.gz CPJDZRPTHMFBPW-ZZXKWVIFSA-N -1 3 249.705 2.340 20 0 BEADHM Cc1c(NC/C=C/Cl)cccc1-c1nn[n-]n1 ZINC000822121284 587154733 /nfs/dbraw/zinc/15/47/33/587154733.db2.gz CPJDZRPTHMFBPW-ZZXKWVIFSA-N -1 3 249.705 2.340 20 0 BEADHM C[C@@H]1CCC[C@]1(C)C(=O)[N-]C1=NCCS1 ZINC000822234476 587158800 /nfs/dbraw/zinc/15/88/00/587158800.db2.gz VSVBKUDAUSDUMV-KCJUWKMLSA-N -1 3 226.345 2.032 20 0 BEADHM CCC[C@H]1CCC[C@H]1C(=O)[N-]C1=NCCS1 ZINC000822234364 587158951 /nfs/dbraw/zinc/15/89/51/587158951.db2.gz PVQPDHMFTCYTAN-VHSXEESVSA-N -1 3 240.372 2.422 20 0 BEADHM CC[C@H]1CCC[C@H]1C(=O)[N-]C1=NCCS1 ZINC000822234391 587159025 /nfs/dbraw/zinc/15/90/25/587159025.db2.gz RNZOIPGZCGQFJB-DTWKUNHWSA-N -1 3 226.345 2.032 20 0 BEADHM Cc1cn(Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000822384938 587165387 /nfs/dbraw/zinc/16/53/87/587165387.db2.gz VTRGZPCDLBTIGL-UHFFFAOYSA-N -1 3 239.282 2.025 20 0 BEADHM Cc1cn(Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000822384938 587165389 /nfs/dbraw/zinc/16/53/89/587165389.db2.gz VTRGZPCDLBTIGL-UHFFFAOYSA-N -1 3 239.282 2.025 20 0 BEADHM FCCCSc1ccccc1-c1nnn[n-]1 ZINC000822737465 587183020 /nfs/dbraw/zinc/18/30/20/587183020.db2.gz WIPLTPLDWKPVOZ-UHFFFAOYSA-N -1 3 238.291 2.318 20 0 BEADHM FCCCSc1ccccc1-c1nn[n-]n1 ZINC000822737465 587183022 /nfs/dbraw/zinc/18/30/22/587183022.db2.gz WIPLTPLDWKPVOZ-UHFFFAOYSA-N -1 3 238.291 2.318 20 0 BEADHM FCCSc1ccc(-c2nnn[n-]2)cc1F ZINC000822737296 587183318 /nfs/dbraw/zinc/18/33/18/587183318.db2.gz TXZYKZVLOOTAGX-UHFFFAOYSA-N -1 3 242.254 2.067 20 0 BEADHM FCCSc1ccc(-c2nn[n-]n2)cc1F ZINC000822737296 587183320 /nfs/dbraw/zinc/18/33/20/587183320.db2.gz TXZYKZVLOOTAGX-UHFFFAOYSA-N -1 3 242.254 2.067 20 0 BEADHM Fc1cc(-c2nnn[n-]2)ccc1NCCC1CC1 ZINC000822748190 587183796 /nfs/dbraw/zinc/18/37/96/587183796.db2.gz MKEBKPIYJZDTNF-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM Fc1cc(-c2nn[n-]n2)ccc1NCCC1CC1 ZINC000822748190 587183797 /nfs/dbraw/zinc/18/37/97/587183797.db2.gz MKEBKPIYJZDTNF-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM CC[C@@H]1CCC[C@@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000822925073 587193565 /nfs/dbraw/zinc/19/35/65/587193565.db2.gz WSEYUKQPZONDHU-WOPDTQHZSA-N -1 3 241.331 2.387 20 0 BEADHM c1ccc(-c2nnn[n-]2)c(SCC2CC2)c1 ZINC000823771702 587240030 /nfs/dbraw/zinc/24/00/30/587240030.db2.gz COICJEBRLXUEBC-UHFFFAOYSA-N -1 3 232.312 2.369 20 0 BEADHM c1ccc(-c2nn[n-]n2)c(SCC2CC2)c1 ZINC000823771702 587240031 /nfs/dbraw/zinc/24/00/31/587240031.db2.gz COICJEBRLXUEBC-UHFFFAOYSA-N -1 3 232.312 2.369 20 0 BEADHM CC(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000824227703 587261153 /nfs/dbraw/zinc/26/11/53/587261153.db2.gz AMGQKZQBNDVBMQ-VIFPVBQESA-N -1 3 246.318 2.108 20 0 BEADHM CC(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000824227703 587261154 /nfs/dbraw/zinc/26/11/54/587261154.db2.gz AMGQKZQBNDVBMQ-VIFPVBQESA-N -1 3 246.318 2.108 20 0 BEADHM CCC(F)(F)C(=O)[N-][C@@H](C)c1ccccn1 ZINC000824356159 587267175 /nfs/dbraw/zinc/26/71/75/587267175.db2.gz NJUUMFDUJYUIEK-QMMMGPOBSA-N -1 3 228.242 2.304 20 0 BEADHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C/C=C\Cl)C1 ZINC000825266745 587311902 /nfs/dbraw/zinc/31/19/02/587311902.db2.gz WNYGBINYSJFLQD-NFXDQBBPSA-N -1 3 246.738 2.107 20 0 BEADHM C[C@H](NC(=O)[O-])[C@H]1CCCN(C/C=C\Cl)C1 ZINC000825266748 587311925 /nfs/dbraw/zinc/31/19/25/587311925.db2.gz WNYGBINYSJFLQD-XMWDXMLXSA-N -1 3 246.738 2.107 20 0 BEADHM Cc1cccc([O-])c1C(=O)NOCC(C)C ZINC000860344302 589095357 /nfs/dbraw/zinc/09/53/57/589095357.db2.gz KPPUZPFENUASLJ-UHFFFAOYSA-N -1 3 223.272 2.018 20 0 BEADHM C[C@H](N[C@H]1CCN(C(=O)[O-])C1)c1ccsc1 ZINC000825478199 587320004 /nfs/dbraw/zinc/32/00/04/587320004.db2.gz FOZGEHBOICRUSA-WPRPVWTQSA-N -1 3 240.328 2.151 20 0 BEADHM C[C@@H](N[C@@H]1CCN(C(=O)[O-])C1)c1ccsc1 ZINC000825478195 587320319 /nfs/dbraw/zinc/32/03/19/587320319.db2.gz FOZGEHBOICRUSA-PSASIEDQSA-N -1 3 240.328 2.151 20 0 BEADHM C[C@@H](NC1CCN(C(=O)[O-])CC1)c1ccoc1 ZINC000825478601 587320563 /nfs/dbraw/zinc/32/05/63/587320563.db2.gz ICGBEKJFZZZSPK-SECBINFHSA-N -1 3 238.287 2.073 20 0 BEADHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccco1 ZINC000825480425 587320929 /nfs/dbraw/zinc/32/09/29/587320929.db2.gz XUFZDSAQCMMDJN-ZJUUUORDSA-N -1 3 238.287 2.073 20 0 BEADHM C[C@H](NC1CCN(C(=O)[O-])CC1)c1ccco1 ZINC000825480225 587320962 /nfs/dbraw/zinc/32/09/62/587320962.db2.gz UTKPZDNBISDCPF-VIFPVBQESA-N -1 3 238.287 2.073 20 0 BEADHM C[C@H](NCCN(C)C(=O)[O-])c1ccc(F)cc1 ZINC000825495765 587321582 /nfs/dbraw/zinc/32/15/82/587321582.db2.gz JABYOXGXMICONT-VIFPVBQESA-N -1 3 240.278 2.086 20 0 BEADHM C[C@@H](NC[C@H]1CCCN1C(=O)[O-])c1ccoc1 ZINC000825490610 587321663 /nfs/dbraw/zinc/32/16/63/587321663.db2.gz MZGGOYKHHZTHPR-MWLCHTKSSA-N -1 3 238.287 2.073 20 0 BEADHM C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)[O-] ZINC000825629357 587327947 /nfs/dbraw/zinc/32/79/47/587327947.db2.gz CAAVUJVAKXJWRE-VIFPVBQESA-N -1 3 240.278 2.086 20 0 BEADHM C[C@@H]1[C@@H](c2ccccc2)CCN1CCNC(=O)[O-] ZINC000825778424 587338856 /nfs/dbraw/zinc/33/88/56/587338856.db2.gz MYDVSMWBTOUQLO-YPMHNXCESA-N -1 3 248.326 2.132 20 0 BEADHM C[C@H]1C[C@@H](c2ccccc2)CN1CCNC(=O)[O-] ZINC000825853178 587341540 /nfs/dbraw/zinc/34/15/40/587341540.db2.gz VBWBFXIAUCBORZ-WCQYABFASA-N -1 3 248.326 2.132 20 0 BEADHM C[C@H]1CCN(C(=O)[O-])CCN1Cc1ccccc1 ZINC000825945113 587347016 /nfs/dbraw/zinc/34/70/16/587347016.db2.gz SMTHESWRXUACOM-LBPRGKRZSA-N -1 3 248.326 2.261 20 0 BEADHM Cc1cc(-c2nnn[n-]2)ccc1OCC1CCC1 ZINC000826254943 587351749 /nfs/dbraw/zinc/35/17/49/587351749.db2.gz GHYPJLOPWIEUQG-UHFFFAOYSA-N -1 3 244.298 2.354 20 0 BEADHM Cc1cc(-c2nn[n-]n2)ccc1OCC1CCC1 ZINC000826254943 587351750 /nfs/dbraw/zinc/35/17/50/587351750.db2.gz GHYPJLOPWIEUQG-UHFFFAOYSA-N -1 3 244.298 2.354 20 0 BEADHM CC1(CCC(=O)[N-]OCC2CCC2)CC1 ZINC000826627919 587357322 /nfs/dbraw/zinc/35/73/22/587357322.db2.gz QRGLKWNILRGCGN-UHFFFAOYSA-N -1 3 211.305 2.415 20 0 BEADHM CC[C@@H](c1ccccc1)N(C)CCNC(=O)[O-] ZINC000826639220 587357397 /nfs/dbraw/zinc/35/73/97/587357397.db2.gz LSWKXBUEYMOPFP-LBPRGKRZSA-N -1 3 236.315 2.337 20 0 BEADHM O=C(CC1CC(F)(F)C1)[N-]OC1CCCC1 ZINC000827834437 587404618 /nfs/dbraw/zinc/40/46/18/587404618.db2.gz LBSDXTKJRHWOSX-UHFFFAOYSA-N -1 3 233.258 2.412 20 0 BEADHM O=C(CCCC(=O)C1CC1)[N-]OC1CCCC1 ZINC000827834672 587405392 /nfs/dbraw/zinc/40/53/92/587405392.db2.gz SKBWJULVFUGVQF-UHFFFAOYSA-N -1 3 239.315 2.126 20 0 BEADHM CC(C(=O)[N-]OC1CCCC1)=C1CCC1 ZINC000828515910 587447073 /nfs/dbraw/zinc/44/70/73/587447073.db2.gz PEAQIUJXIDVBIJ-UHFFFAOYSA-N -1 3 209.289 2.477 20 0 BEADHM O=C(Nc1ccc(C2CC2)cc1F)c1cnn[n-]1 ZINC000828633148 587455134 /nfs/dbraw/zinc/45/51/34/587455134.db2.gz RSMGOKMWCZZXEU-UHFFFAOYSA-N -1 3 246.245 2.074 20 0 BEADHM O=C(Nc1ccc(C2CC2)cc1F)c1c[n-]nn1 ZINC000828633148 587455135 /nfs/dbraw/zinc/45/51/35/587455135.db2.gz RSMGOKMWCZZXEU-UHFFFAOYSA-N -1 3 246.245 2.074 20 0 BEADHM O=C(Nc1ccc(C2CC2)cc1F)c1cn[n-]n1 ZINC000828633148 587455136 /nfs/dbraw/zinc/45/51/36/587455136.db2.gz RSMGOKMWCZZXEU-UHFFFAOYSA-N -1 3 246.245 2.074 20 0 BEADHM CCC(F)(F)C(=O)[N-]Cc1ncc(C)s1 ZINC000828795668 587462485 /nfs/dbraw/zinc/46/24/85/587462485.db2.gz VVCIKXVHIMXHMQ-UHFFFAOYSA-N -1 3 234.271 2.113 20 0 BEADHM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]OCC(F)F ZINC000829283681 587491501 /nfs/dbraw/zinc/49/15/01/587491501.db2.gz SQCDYBJRVFZEEH-GMSGAONNSA-N -1 3 221.247 2.126 20 0 BEADHM Cc1cc(=O)[n-]c(CN(C)CCC(C)(C)C)n1 ZINC000829938378 587529174 /nfs/dbraw/zinc/52/91/74/587529174.db2.gz VMSCUGONGKFHOL-UHFFFAOYSA-N -1 3 237.347 2.359 20 0 BEADHM CCc1ccc(CNC(C)(C)CC(=O)[O-])o1 ZINC000830249499 587544144 /nfs/dbraw/zinc/54/41/44/587544144.db2.gz HPROPSDGAPEXNN-UHFFFAOYSA-N -1 3 225.288 2.185 20 0 BEADHM Cc1ccccc1CN(CCNC(=O)[O-])C1CC1 ZINC000830573274 587559174 /nfs/dbraw/zinc/55/91/74/587559174.db2.gz GSNQRDPZEVPDCI-UHFFFAOYSA-N -1 3 248.326 2.227 20 0 BEADHM CC1(C)CC[C@H]1C(=O)[N-]OCc1cccnc1 ZINC000830757327 587567786 /nfs/dbraw/zinc/56/77/86/587567786.db2.gz MYKJRGIEZZMDBB-NSHDSACASA-N -1 3 234.299 2.066 20 0 BEADHM CCCON=C([O-])Nc1nc(C)c(C)s1 ZINC000831104493 587586141 /nfs/dbraw/zinc/58/61/41/587586141.db2.gz XKGHMYSVRDRWEL-UHFFFAOYSA-N -1 3 229.305 2.223 20 0 BEADHM CCCO[N-]C(=O)Nc1nc(C)c(C)s1 ZINC000831104493 587586142 /nfs/dbraw/zinc/58/61/42/587586142.db2.gz XKGHMYSVRDRWEL-UHFFFAOYSA-N -1 3 229.305 2.223 20 0 BEADHM CCCON=C([O-])Nc1nc(C2CC2)cs1 ZINC000831127132 587587137 /nfs/dbraw/zinc/58/71/37/587587137.db2.gz COFIMYDTWGHBII-UHFFFAOYSA-N -1 3 241.316 2.484 20 0 BEADHM CCCO[N-]C(=O)Nc1nc(C2CC2)cs1 ZINC000831127132 587587138 /nfs/dbraw/zinc/58/71/38/587587138.db2.gz COFIMYDTWGHBII-UHFFFAOYSA-N -1 3 241.316 2.484 20 0 BEADHM CCCON=C([O-])Nc1cccc(F)c1F ZINC000831374733 587602157 /nfs/dbraw/zinc/60/21/57/587602157.db2.gz ALMAXBCUMFLJQW-UHFFFAOYSA-N -1 3 230.214 2.428 20 0 BEADHM CCCO[N-]C(=O)Nc1cccc(F)c1F ZINC000831374733 587602159 /nfs/dbraw/zinc/60/21/59/587602159.db2.gz ALMAXBCUMFLJQW-UHFFFAOYSA-N -1 3 230.214 2.428 20 0 BEADHM CCON(CC)C(=O)c1ccc(C)cc1[O-] ZINC000831467208 587611313 /nfs/dbraw/zinc/61/13/13/587611313.db2.gz IDGAKAGMHONYKL-UHFFFAOYSA-N -1 3 223.272 2.114 20 0 BEADHM CCCON=C([O-])Nc1scnc1C1CC1 ZINC000831588697 587622142 /nfs/dbraw/zinc/62/21/42/587622142.db2.gz ILJLMYRZRDEQRU-UHFFFAOYSA-N -1 3 241.316 2.484 20 0 BEADHM CCCO[N-]C(=O)Nc1scnc1C1CC1 ZINC000831588697 587622143 /nfs/dbraw/zinc/62/21/43/587622143.db2.gz ILJLMYRZRDEQRU-UHFFFAOYSA-N -1 3 241.316 2.484 20 0 BEADHM CCCO[N-]C(=O)Nc1ccnc(SC)c1 ZINC000831599013 587622576 /nfs/dbraw/zinc/62/25/76/587622576.db2.gz HVOOQOCNJVRWRM-UHFFFAOYSA-N -1 3 241.316 2.267 20 0 BEADHM CCCON=C([O-])Nc1ccnn1C(C)(C)C ZINC000831687943 587627762 /nfs/dbraw/zinc/62/77/62/587627762.db2.gz AVGYUFDNUFXHBP-UHFFFAOYSA-N -1 3 240.307 2.101 20 0 BEADHM CCCO[N-]C(=O)Nc1ccnn1C(C)(C)C ZINC000831687943 587627764 /nfs/dbraw/zinc/62/77/64/587627764.db2.gz AVGYUFDNUFXHBP-UHFFFAOYSA-N -1 3 240.307 2.101 20 0 BEADHM O=C(CCCc1cccnc1)[N-]OC1CCCC1 ZINC000831701571 587627955 /nfs/dbraw/zinc/62/79/55/587627955.db2.gz CJXFZABSRCIQOX-UHFFFAOYSA-N -1 3 248.326 2.395 20 0 BEADHM CCCON=C([O-])Nc1cccc(C2CC2)n1 ZINC000831835494 587633851 /nfs/dbraw/zinc/63/38/51/587633851.db2.gz PEMJDGAHPDRNCC-UHFFFAOYSA-N -1 3 235.287 2.422 20 0 BEADHM CCCO[N-]C(=O)Nc1cccc(C2CC2)n1 ZINC000831835494 587633852 /nfs/dbraw/zinc/63/38/52/587633852.db2.gz PEMJDGAHPDRNCC-UHFFFAOYSA-N -1 3 235.287 2.422 20 0 BEADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)[N-]OC1CCC1 ZINC000832333356 587654638 /nfs/dbraw/zinc/65/46/38/587654638.db2.gz WBVSRSRUWRBKTK-YWVKMMECSA-N -1 3 209.289 2.023 20 0 BEADHM CCC(F)(F)C(=O)Nc1ccc(OC)cc1[O-] 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CCCO[N-]C(=O)CCc1ccc(F)cc1F ZINC000844086521 588164179 /nfs/dbraw/zinc/16/41/79/588164179.db2.gz SAMUIVUQKBCYNU-UHFFFAOYSA-N -1 3 243.253 2.355 20 0 BEADHM CCCO[N-]C(=O)C[C@H]1CCC(F)(F)C1 ZINC000844087057 588164975 /nfs/dbraw/zinc/16/49/75/588164975.db2.gz GDABJSYEITWDHF-MRVPVSSYSA-N -1 3 221.247 2.270 20 0 BEADHM CCCO[N-]C(=O)Cc1ccccc1CC ZINC000844087720 588165221 /nfs/dbraw/zinc/16/52/21/588165221.db2.gz FQGACMXRQMVYFW-UHFFFAOYSA-N -1 3 221.300 2.249 20 0 BEADHM CCCO[N-]C(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1 ZINC000844088260 588165935 /nfs/dbraw/zinc/16/59/35/588165935.db2.gz NDOBIRFEICLCMN-RAIGVLPGSA-N -1 3 233.311 2.494 20 0 BEADHM CCCO[N-]C(=O)C1(C2CCC2)CCC1 ZINC000844090319 588166259 /nfs/dbraw/zinc/16/62/59/588166259.db2.gz MGNOCOLTBSWHQI-UHFFFAOYSA-N -1 3 211.305 2.415 20 0 BEADHM CCCO[N-]C(=O)[C@@H](CC)CC(F)(F)F ZINC000844090179 588166298 /nfs/dbraw/zinc/16/62/98/588166298.db2.gz GSAPDMBIFIURPA-ZETCQYMHSA-N -1 3 227.226 2.423 20 0 BEADHM O=C([N-]C1=NCCS1)[C@@H]1C[C@H]1C1CCCC1 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592626089 /nfs/dbraw/zinc/62/60/89/592626089.db2.gz YWBUOAQUHYSVOZ-FSDSQADBSA-N -1 3 239.212 2.192 20 0 BEADHM C[C@H]1CCC[C@H](C)N1NC(=O)c1ccccc1[O-] ZINC000106068972 592703777 /nfs/dbraw/zinc/70/37/77/592703777.db2.gz FRNQSUJCJKOSJV-QWRGUYRKSA-N -1 3 248.326 2.300 20 0 BEADHM CC[C@H](CNC(=O)[O-])N1CCc2ccccc2C1 ZINC000739257381 602665388 /nfs/dbraw/zinc/66/53/88/602665388.db2.gz FMQLRHKRNFOMLA-CYBMUJFWSA-N -1 3 248.326 2.091 20 0 BEADHM C[C@@H](NCCCCCC(=O)[O-])c1nccs1 ZINC000070733071 598162433 /nfs/dbraw/zinc/16/24/33/598162433.db2.gz YDLHCTPOPCRYHH-SECBINFHSA-N -1 3 242.344 2.439 20 0 BEADHM C[C@H](NCCCCCC(=O)[O-])c1nccs1 ZINC000070733070 598162464 /nfs/dbraw/zinc/16/24/64/598162464.db2.gz YDLHCTPOPCRYHH-VIFPVBQESA-N -1 3 242.344 2.439 20 0 BEADHM Cc1nc([C@@H](C)N[C@@H](C(=O)[O-])C(C)C)cs1 ZINC000043430773 598197423 /nfs/dbraw/zinc/19/74/23/598197423.db2.gz MRMGWCNKECJFKA-GMSGAONNSA-N -1 3 242.344 2.211 20 0 BEADHM CN(CC1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000095294091 598679084 /nfs/dbraw/zinc/67/90/84/598679084.db2.gz IWSIMLUMGHNTLM-UHFFFAOYSA-N -1 3 243.314 2.103 20 0 BEADHM CC1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000095160741 599302844 /nfs/dbraw/zinc/30/28/44/599302844.db2.gz OTUFSLWYHRINKS-UHFFFAOYSA-N -1 3 243.314 2.103 20 0 BEADHM CCN(c1cccc(F)c1-c1nn[n-]n1)C(C)C ZINC000095280075 598814886 /nfs/dbraw/zinc/81/48/86/598814886.db2.gz XMORWUIEZOMFSS-UHFFFAOYSA-N -1 3 249.293 2.241 20 0 BEADHM CCN(c1cccc(F)c1-c1nnn[n-]1)C(C)C ZINC000095280075 598814885 /nfs/dbraw/zinc/81/48/85/598814885.db2.gz XMORWUIEZOMFSS-UHFFFAOYSA-N -1 3 249.293 2.241 20 0 BEADHM C=C(Cl)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000095128419 599442317 /nfs/dbraw/zinc/44/23/17/599442317.db2.gz ZVXBPQSUQIZOBW-UHFFFAOYSA-N -1 3 235.678 2.031 20 0 BEADHM CN(Cc1cccc(F)c1F)C(C)(C)C(=O)[O-] ZINC000061171887 600134025 /nfs/dbraw/zinc/13/40/25/600134025.db2.gz DRSLRKPDRMQINP-UHFFFAOYSA-N -1 3 243.253 2.260 20 0 BEADHM CCc1nc(CNC(C)(C)CC(=O)[O-])cs1 ZINC000694048267 600800366 /nfs/dbraw/zinc/80/03/66/600800366.db2.gz NSSPSKNSNDQHHR-UHFFFAOYSA-N -1 3 242.344 2.048 20 0 BEADHM CCN(CC)[C@H](CNC(=O)[O-])c1ccsc1 ZINC000739405778 602666350 /nfs/dbraw/zinc/66/63/50/602666350.db2.gz CYLDWVHTDQJJCT-SNVBAGLBSA-N -1 3 242.344 2.399 20 0 BEADHM CC(C)[C@@](C)(CNC(=O)[O-])NCc1ccco1 ZINC000738774831 602979696 /nfs/dbraw/zinc/97/96/96/602979696.db2.gz YKSAZFQXCICVFA-GFCCVEGCSA-N -1 3 240.303 2.052 20 0 BEADHM CC(C)[C@](C)(CNC(=O)[O-])NCc1ccco1 ZINC000738774832 602979844 /nfs/dbraw/zinc/97/98/44/602979844.db2.gz YKSAZFQXCICVFA-LBPRGKRZSA-N -1 3 240.303 2.052 20 0 BEADHM O=C([O-])NCCN1CCC[C@@H]1c1cccs1 ZINC000740659785 603082019 /nfs/dbraw/zinc/08/20/19/603082019.db2.gz VYEALGMIYXEUNQ-SECBINFHSA-N -1 3 240.328 2.153 20 0 BEADHM C/C(=C\CN1CCc2ccsc2C1)C(=O)[O-] ZINC000712302083 604937784 /nfs/dbraw/zinc/93/77/84/604937784.db2.gz KKUYVYLNNZGFAE-XNWCZRBMSA-N -1 3 237.324 2.137 20 0 BEADHM CCCN(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000095289624 606240321 /nfs/dbraw/zinc/24/03/21/606240321.db2.gz PTNYIWOXGTVWRX-UHFFFAOYSA-N -1 3 231.303 2.103 20 0 BEADHM CCCCNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000095277503 606638241 /nfs/dbraw/zinc/63/82/41/606638241.db2.gz HDXSORJANWAOCA-UHFFFAOYSA-N -1 3 235.266 2.218 20 0 BEADHM CCCCNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000095277503 606638242 /nfs/dbraw/zinc/63/82/42/606638242.db2.gz HDXSORJANWAOCA-UHFFFAOYSA-N -1 3 235.266 2.218 20 0 BEADHM CC[C@@H](C)COc1ccc(-c2nn[n-]n2)cc1 ZINC000095274726 606701031 /nfs/dbraw/zinc/70/10/31/606701031.db2.gz VNWKHPUQUJHVMG-SECBINFHSA-N -1 3 232.287 2.292 20 0 BEADHM CC[C@H](C)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000095274717 606983564 /nfs/dbraw/zinc/98/35/64/606983564.db2.gz FSGIZGRGQCGZFW-VIFPVBQESA-N -1 3 231.303 2.325 20 0 BEADHM c1cc(-c2nn[n-]n2)ccc1OC1CCCC1 ZINC000071534681 608478562 /nfs/dbraw/zinc/47/85/62/608478562.db2.gz MLDNBXPEIBTQSA-UHFFFAOYSA-N -1 3 230.271 2.188 20 0 BEADHM CCC(C)(C)Nc1nccc(C)c1-c1nnn[n-]1 ZINC000825044094 609524016 /nfs/dbraw/zinc/52/40/16/609524016.db2.gz NWVHBZQUDPARJD-UHFFFAOYSA-N -1 3 246.318 2.171 20 0 BEADHM CCC(C)(C)Nc1nccc(C)c1-c1nn[n-]n1 ZINC000825044094 609524018 /nfs/dbraw/zinc/52/40/18/609524018.db2.gz NWVHBZQUDPARJD-UHFFFAOYSA-N -1 3 246.318 2.171 20 0 BEADHM O=C([N-]Cc1cccc(Cl)c1F)C(F)F ZINC001116843242 987727413 /nfs/dbraw/zinc/72/74/13/987727413.db2.gz ZZGNFPYPUYKDCS-UHFFFAOYSA-N -1 3 237.608 2.360 20 0 BEADHM O=C(CCF)Nc1c([O-])cccc1Cl ZINC001556784628 990853582 /nfs/dbraw/zinc/85/35/82/990853582.db2.gz ZRCXABYRVWZFTR-UHFFFAOYSA-N -1 3 217.627 2.344 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)c(NCC(C)(C)C)n1 ZINC000095340165 635449640 /nfs/dbraw/zinc/44/96/40/635449640.db2.gz WKGGBKFOLGJLEG-UHFFFAOYSA-N -1 3 246.318 2.028 20 0 BEADHM Cc1ccc(-c2nn[n-]n2)c(NCC(C)(C)C)n1 ZINC000095340165 635449650 /nfs/dbraw/zinc/44/96/50/635449650.db2.gz WKGGBKFOLGJLEG-UHFFFAOYSA-N -1 3 246.318 2.028 20 0 BEADHM C[C@H]1CCCCN1Cc1cccc(C(=O)[O-])n1 ZINC000235547444 635580048 /nfs/dbraw/zinc/58/00/48/635580048.db2.gz GCGKQHUJUPOAEZ-JTQLQIEISA-N -1 3 234.299 2.154 20 0 BEADHM CC1(C)CC[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000309041788 631825615 /nfs/dbraw/zinc/82/56/15/631825615.db2.gz KJFWIHVMHJDFGX-YFKPBYRVSA-N -1 3 227.201 2.192 20 0 BEADHM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1ccccc1[O-] ZINC000928046131 635804761 /nfs/dbraw/zinc/80/47/61/635804761.db2.gz WTNJFIADNYMINQ-KXGXSXBTSA-N -1 3 231.295 2.167 20 0 BEADHM CC[C@](C)(O)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000935101033 632446684 /nfs/dbraw/zinc/44/66/84/632446684.db2.gz SIRQASGTYMDXIQ-NSHDSACASA-N -1 3 243.690 2.145 20 0 BEADHM Cc1ccc(CNc2cc(=O)[n-]c(C)n2)s1 ZINC000165792719 633097862 /nfs/dbraw/zinc/09/78/62/633097862.db2.gz KFHDUKZAOSRPAA-UHFFFAOYSA-N -1 3 235.312 2.473 20 0 BEADHM O=C(C[C@@H]1C[C@H]1C1CC1)[N-]OCc1ccccn1 ZINC000909518607 636138607 /nfs/dbraw/zinc/13/86/07/636138607.db2.gz CIUNBKWVSWHIRN-AAEUAGOBSA-N -1 3 246.310 2.066 20 0 BEADHM CC[C@H]1CC[C@H](C)N1c1cc(=O)[n-]c(C)n1 ZINC000893093064 633827713 /nfs/dbraw/zinc/82/77/13/633827713.db2.gz UBRGDJNZGUGCMX-WPRPVWTQSA-N -1 3 221.304 2.258 20 0 BEADHM C[C@@H]1CN(c2cc(=O)[n-]cn2)[C@@H]2CCCC[C@@H]21 ZINC000893121880 633843806 /nfs/dbraw/zinc/84/38/06/633843806.db2.gz UCLIWNWMEDINTJ-GMTAPVOTSA-N -1 3 233.315 2.197 20 0 BEADHM CCCCCCC(=O)[N-]OCCOCC ZINC000184831075 634020476 /nfs/dbraw/zinc/02/04/76/634020476.db2.gz SZJRQFQVHOMEKC-UHFFFAOYSA-N -1 3 217.309 2.041 20 0 BEADHM CC(F)(F)CCC(=O)[N-]OCc1ccccn1 ZINC000909526204 636168935 /nfs/dbraw/zinc/16/89/35/636168935.db2.gz KVOSFYHKTRDUEH-UHFFFAOYSA-N -1 3 244.241 2.065 20 0 BEADHM CCCO[N-]C(=O)Cc1c[nH]c2ccccc12 ZINC000314735361 635231278 /nfs/dbraw/zinc/23/12/78/635231278.db2.gz XGALPWDUCCNYMZ-UHFFFAOYSA-N -1 3 232.283 2.168 20 0 BEADHM Cc1noc([C@@H](C)OC(=O)c2ccc([O-])cc2)n1 ZINC000028130788 635477208 /nfs/dbraw/zinc/47/72/08/635477208.db2.gz VJXJPICKVRVZKL-SSDOTTSWSA-N -1 3 248.238 2.002 20 0 BEADHM O=C(CCCC1CC1)[N-]OCc1ccccn1 ZINC000909544507 636238516 /nfs/dbraw/zinc/23/85/16/636238516.db2.gz OZEUHMBOEWRACK-UHFFFAOYSA-N -1 3 234.299 2.210 20 0 BEADHM CC(C)O[N-]C(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC000897888609 636845814 /nfs/dbraw/zinc/84/58/14/636845814.db2.gz GJBDOZWTHODIQD-NSHDSACASA-N -1 3 241.331 2.182 20 0 BEADHM O=C([O-])c1cc(CN2CCCCCCC2)on1 ZINC000042416965 637240257 /nfs/dbraw/zinc/24/02/57/637240257.db2.gz NKTLBEHXTPSUNR-UHFFFAOYSA-N -1 3 238.287 2.139 20 0 BEADHM O=C([O-])/C=C\c1ccc(CN[C@]23C[C@H]2CCC3)o1 ZINC000905770082 637925633 /nfs/dbraw/zinc/92/56/33/637925633.db2.gz LDQZUJHMMSBMTM-RHBBEZFQSA-N -1 3 247.294 2.410 20 0 BEADHM CC[C@H](C)CONC(=O)c1c(C)[n-]nc1Cl ZINC000908350745 638662995 /nfs/dbraw/zinc/66/29/95/638662995.db2.gz AKPRFFULXQEFCA-LURJTMIESA-N -1 3 245.710 2.079 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CC[C@@H]1C1CC1 ZINC000908558305 639013867 /nfs/dbraw/zinc/01/38/67/639013867.db2.gz WVCSPHPOKOMAST-SNVBAGLBSA-N -1 3 247.294 2.025 20 0 BEADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC=CC1 ZINC000910013017 639330687 /nfs/dbraw/zinc/33/06/87/639330687.db2.gz VKJHPSGLJQAILY-UHFFFAOYSA-N -1 3 249.285 2.252 20 0 BEADHM CCCO[N-]C(=O)CCCC(=O)c1ccccc1 ZINC000911553426 639664418 /nfs/dbraw/zinc/66/44/18/639664418.db2.gz XWDICTKFOULVOF-UHFFFAOYSA-N -1 3 249.310 2.497 20 0 BEADHM CC(C)CO[N-]C(=O)C[C@H](C)c1ccncc1 ZINC000156568434 640467937 /nfs/dbraw/zinc/46/79/37/640467937.db2.gz HGGNGHVSMKJEQC-NSHDSACASA-N -1 3 236.315 2.279 20 0 BEADHM CSCC[C@@H](C)Nc1cc(=O)[n-]c(C)n1 ZINC000165919338 640600073 /nfs/dbraw/zinc/60/00/73/640600073.db2.gz FDCVCYRCOIJQQV-SSDOTTSWSA-N -1 3 227.333 2.044 20 0 BEADHM C[C@@H]1CCN(Cc2cccs2)[C@@H](C(=O)[O-])C1 ZINC000229307475 640946840 /nfs/dbraw/zinc/94/68/40/640946840.db2.gz WMMJAPCYSNLRDG-MWLCHTKSSA-N -1 3 239.340 2.433 20 0 BEADHM CC[C@H]1CN(Cc2ccc([O-])c(F)c2)CCO1 ZINC000232449608 641273251 /nfs/dbraw/zinc/27/32/51/641273251.db2.gz ZFSVHMOGYBFIKD-NSHDSACASA-N -1 3 239.290 2.142 20 0 BEADHM CC[C@H]1COCCN1Cc1ccc([O-])c(F)c1 ZINC000232449684 641274441 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/nfs/dbraw/zinc/37/23/30/642372330.db2.gz FBXKSDIYEAJSCA-LURJTMIESA-N -1 3 213.199 2.033 20 0 BEADHM C[C@H]1C[C@H]1COC(=O)Cc1ccc([O-])c(F)c1 ZINC000859713175 643230061 /nfs/dbraw/zinc/23/00/61/643230061.db2.gz WXLDZOVJRVEOOB-WPRPVWTQSA-N -1 3 238.258 2.273 20 0 BEADHM CCNC(=O)c1cc2sccc2c([O-])c1 ZINC000082319736 643298029 /nfs/dbraw/zinc/29/80/29/643298029.db2.gz ZLIVCKJYPYOOAY-UHFFFAOYSA-N -1 3 221.281 2.357 20 0 BEADHM CO[C@H]1CCC[C@@H](CC(=O)[N-]OC2CCC2)C1 ZINC000812789106 643377634 /nfs/dbraw/zinc/37/76/34/643377634.db2.gz MJKSTCRSZRJEHG-PWSUYJOCSA-N -1 3 241.331 2.182 20 0 BEADHM CCc1cccc(CC(=O)[N-]OC2CCC2)c1 ZINC000812789268 643377925 /nfs/dbraw/zinc/37/79/25/643377925.db2.gz SEFBZJIUNXBBKY-UHFFFAOYSA-N -1 3 233.311 2.392 20 0 BEADHM CCCO[N-]C(=O)C[C@@H]1CCC[C@@H](OC)C1 ZINC000844086845 643384241 /nfs/dbraw/zinc/38/42/41/643384241.db2.gz BMCXDKUBENSECF-GHMZBOCLSA-N -1 3 229.320 2.040 20 0 BEADHM O=C([O-])[C@@H]1CCN(Cc2cc(Cl)cs2)C1 ZINC000086334834 644460758 /nfs/dbraw/zinc/46/07/58/644460758.db2.gz VYPXIMBCUSYSAA-SSDOTTSWSA-N -1 3 245.731 2.308 20 0 BEADHM O=C(Cc1ccc(Cl)cc1)[N-]OCC(F)F ZINC000759338084 644640863 /nfs/dbraw/zinc/64/08/63/644640863.db2.gz PURCFDKNWQWYCF-UHFFFAOYSA-N -1 3 249.644 2.195 20 0 BEADHM Cc1nc([C@@H](C)OC(=O)c2ccc([O-])cc2)no1 ZINC000811032495 644908800 /nfs/dbraw/zinc/90/88/00/644908800.db2.gz BRXLUXYWZSLYPZ-SSDOTTSWSA-N -1 3 248.238 2.002 20 0 BEADHM CC(=O)CCCCCCC(=O)[N-]OCC1CC1 ZINC000817354755 644973130 /nfs/dbraw/zinc/97/31/30/644973130.db2.gz POTVIYZOVFCHIO-UHFFFAOYSA-N -1 3 241.331 2.374 20 0 BEADHM O=C(CCc1ccccc1F)[N-]OCC1CC1 ZINC000817367959 644975769 /nfs/dbraw/zinc/97/57/69/644975769.db2.gz NINYBKISNYHXBN-UHFFFAOYSA-N -1 3 237.274 2.216 20 0 BEADHM CC(=O)CC(C)(C)CC(=O)[N-]OCCC1CC1 ZINC000817441512 644980428 /nfs/dbraw/zinc/98/04/28/644980428.db2.gz IPFNFKPWEIMYPU-UHFFFAOYSA-N -1 3 241.331 2.230 20 0 BEADHM CCOCCO[N-]C(=O)[C@@]1(C)CC=C(C)CC1 ZINC000832390785 645134933 /nfs/dbraw/zinc/13/49/33/645134933.db2.gz ZLDCIRLZSHKFHH-ZDUSSCGKSA-N -1 3 241.331 2.207 20 0 BEADHM N#CCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011808703 645624378 /nfs/dbraw/zinc/62/43/78/645624378.db2.gz NQZKNKNWOONTMJ-UHFFFAOYSA-N -1 3 219.027 2.002 20 0 BEADHM C/C(=C/CN1CCc2ccccc2C1)C(=O)[O-] ZINC000214732272 645863377 /nfs/dbraw/zinc/86/33/77/645863377.db2.gz BSUBVRFHEFEDOU-WDZFZDKYSA-N -1 3 231.295 2.076 20 0 BEADHM O=C(N[C@@H]1C=CCC1)c1cc([O-])ccc1Cl ZINC000829342314 645913691 /nfs/dbraw/zinc/91/36/91/645913691.db2.gz IGQQFZBFERXTDE-MRVPVSSYSA-N -1 3 237.686 2.494 20 0 BEADHM C[C@@H](NCc1nccn1C)c1cc([O-])cc(F)c1 ZINC000924938148 646134659 /nfs/dbraw/zinc/13/46/59/646134659.db2.gz FTBCHIPZPAZWQX-SECBINFHSA-N -1 3 249.289 2.116 20 0 BEADHM O=C([N-]CC[C@@H]1CC[C@H]2C[C@H]21)C(F)(F)F ZINC000716925321 711587144 /nfs/dbraw/zinc/58/71/44/711587144.db2.gz MPQQSQTZPQKQBY-FXQIFTODSA-N -1 3 221.222 2.101 20 0 BEADHM Cc1ccc(CN(CCC(=O)[O-])C2CC2)o1 ZINC000037474157 712647018 /nfs/dbraw/zinc/64/70/18/712647018.db2.gz JSCULIPUADFCJK-UHFFFAOYSA-N -1 3 223.272 2.027 20 0 BEADHM O=C(NCCC1CC=CC1)c1ccc(O)cc1[O-] ZINC000724403703 710739690 /nfs/dbraw/zinc/73/96/90/710739690.db2.gz JWJIROJTGDLDCT-UHFFFAOYSA-N -1 3 247.294 2.184 20 0 BEADHM O=C([O-])c1cccc(CN[C@@H]2CC23CCCC3)n1 ZINC000387267797 711041924 /nfs/dbraw/zinc/04/19/24/711041924.db2.gz LSPJNVTZGKACDG-GFCCVEGCSA-N -1 3 246.310 2.202 20 0 BEADHM O=C([O-])c1cccc(CN[C@H]2CC23CCCC3)n1 ZINC000387267799 711043120 /nfs/dbraw/zinc/04/31/20/711043120.db2.gz LSPJNVTZGKACDG-LBPRGKRZSA-N -1 3 246.310 2.202 20 0 BEADHM CCN=c1[n-]cc(C(=O)OC(CC)CC)s1 ZINC000390679960 711132085 /nfs/dbraw/zinc/13/20/85/711132085.db2.gz ZHWLOQYKSKLSCH-UHFFFAOYSA-N -1 3 242.344 2.342 20 0 BEADHM CC1(C2([N-]C(=O)C(F)(F)C(F)F)CC2)CC1 ZINC000398288086 711406751 /nfs/dbraw/zinc/40/67/51/711406751.db2.gz WDFFSQTWIRZWNM-UHFFFAOYSA-N -1 3 239.212 2.336 20 0 BEADHM C[C@H](CCC1CC1)NCc1cc(C(=O)[O-])no1 ZINC000398468658 711411045 /nfs/dbraw/zinc/41/10/45/711411045.db2.gz MMWPOPXVIBMXIB-MRVPVSSYSA-N -1 3 238.287 2.041 20 0 BEADHM C[C@@H](CNc1cc(=O)[n-]cn1)CC(F)(F)F ZINC000396952662 711372634 /nfs/dbraw/zinc/37/26/34/711372634.db2.gz RIPOGXQWEFVMJH-ZCFIWIBFSA-N -1 3 235.209 2.183 20 0 BEADHM Cc1nc(NC[C@@H](C)CC(F)(F)F)cc(=O)[n-]1 ZINC000396932875 711373212 /nfs/dbraw/zinc/37/32/12/711373212.db2.gz BJCWCTLKPVLBJW-LURJTMIESA-N -1 3 249.236 2.491 20 0 BEADHM Cc1ccc(CN(C)c2cc(=O)[n-]c(C)n2)o1 ZINC000891480786 711532407 /nfs/dbraw/zinc/53/24/07/711532407.db2.gz UBDVPAKTVHBZQR-UHFFFAOYSA-N -1 3 233.271 2.028 20 0 BEADHM O=C(NCCC1CC=CC1)c1c([O-])cccc1O ZINC000724403759 711578611 /nfs/dbraw/zinc/57/86/11/711578611.db2.gz LICYUNJJALCKSO-UHFFFAOYSA-N -1 3 247.294 2.184 20 0 BEADHM CCCC1(C(=O)[N-]OCc2ccccn2)CC1 ZINC000909541467 711782637 /nfs/dbraw/zinc/78/26/37/711782637.db2.gz XNHDNAPOYVMSEY-UHFFFAOYSA-N -1 3 234.299 2.210 20 0 BEADHM O=C([N-]OCc1cccnc1)C1(C2CC2)CCC1 ZINC000907090421 711815127 /nfs/dbraw/zinc/81/51/27/711815127.db2.gz KOMYAOMCOVVVCJ-UHFFFAOYSA-N -1 3 246.310 2.210 20 0 BEADHM Cc1nc(NCC2=CCCC2)cc(=O)[n-]1 ZINC000702361584 712048405 /nfs/dbraw/zinc/04/84/05/712048405.db2.gz BVENKMXUYQRRDR-UHFFFAOYSA-N -1 3 205.261 2.013 20 0 BEADHM Cc1nc(NCCC2(F)CCC2)cc(=O)[n-]1 ZINC000702522378 712054307 /nfs/dbraw/zinc/05/43/07/712054307.db2.gz WQNVOHZTDHUKLT-UHFFFAOYSA-N -1 3 225.267 2.185 20 0 BEADHM COC1CC(COc2ccc3c([O-])coc3c2)C1 ZINC000704179901 712099473 /nfs/dbraw/zinc/09/94/73/712099473.db2.gz KORQXVMCGGCSKB-UHFFFAOYSA-N -1 3 248.278 2.066 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@H]1C=CCC1 ZINC000706636843 712152086 /nfs/dbraw/zinc/15/20/86/712152086.db2.gz DYJFDRMLTOVVRJ-JTQLQIEISA-N -1 3 217.268 2.149 20 0 BEADHM O=C([N-]CC[C@@H]1CC=CCC1)C(F)(F)F ZINC000706915215 712158492 /nfs/dbraw/zinc/15/84/92/712158492.db2.gz MRJURQREIYZIIY-MRVPVSSYSA-N -1 3 221.222 2.411 20 0 BEADHM O=C(NC[C@]12C[C@H]1CCC2)c1ccccc1[O-] ZINC000710559728 712226979 /nfs/dbraw/zinc/22/69/79/712226979.db2.gz XIUKDACAZMNWFA-YGRLFVJLSA-N -1 3 231.295 2.312 20 0 BEADHM O=C([O-])c1coc(CN2CCC[C@@H](CF)C2)c1 ZINC000711450408 712301446 /nfs/dbraw/zinc/30/14/46/712301446.db2.gz BSSKHAHRGUNJJI-VIFPVBQESA-N -1 3 241.262 2.159 20 0 BEADHM O=C([O-])c1ccoc1CN1CCC[C@H](CF)C1 ZINC000711455226 712304341 /nfs/dbraw/zinc/30/43/41/712304341.db2.gz NXTBCCHRRRBLOR-SECBINFHSA-N -1 3 241.262 2.159 20 0 BEADHM Cc1nc(N[C@@H](C)c2ccns2)cc(=O)[n-]1 ZINC000715920886 712542750 /nfs/dbraw/zinc/54/27/50/712542750.db2.gz BBMPVCJVSWFTQY-LURJTMIESA-N -1 3 236.300 2.120 20 0 BEADHM O=C(CCCc1ccccn1)[N-]OC1CCC1 ZINC000812787699 712586601 /nfs/dbraw/zinc/58/66/01/712586601.db2.gz DSAJCMNEIOISFT-UHFFFAOYSA-N -1 3 234.299 2.005 20 0 BEADHM O=C([N-]CC[C@@H]1CC[C@@H]2C[C@@H]21)C(F)(F)F ZINC000716925329 712597090 /nfs/dbraw/zinc/59/70/90/712597090.db2.gz MPQQSQTZPQKQBY-XLPZGREQSA-N -1 3 221.222 2.101 20 0 BEADHM O=c1cc(NCC[C@H]2CCC3(CCC3)O2)nc[n-]1 ZINC000717087024 712630228 /nfs/dbraw/zinc/63/02/28/712630228.db2.gz DZYLATKPIBQQHY-SNVBAGLBSA-N -1 3 249.314 2.086 20 0 BEADHM Cc1ccc(CN(C)C(C)(C)C(=O)[O-])s1 ZINC000083408841 957825558 /nfs/dbraw/zinc/82/55/58/957825558.db2.gz WKHTVFSLSGNRPD-UHFFFAOYSA-N -1 3 227.329 2.352 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C2(C)CC2)o1 ZINC001213935172 961567661 /nfs/dbraw/zinc/56/76/61/961567661.db2.gz LBTQQVJLIGGHRC-SECBINFHSA-N -1 3 243.328 2.055 20 0 BEADHM Nc1ccc(Nc2cnc[n-]c2=O)cc1Cl ZINC001212108779 964393202 /nfs/dbraw/zinc/39/32/02/964393202.db2.gz KXFGDZVLLUYVGQ-UHFFFAOYSA-N -1 3 236.662 2.161 20 0 BEADHM Cc1cncnc1-c1ccc([O-])cc1F ZINC001206021856 967978992 /nfs/dbraw/zinc/97/89/92/967978992.db2.gz REAODFYEDCXHPM-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Nc1cncc(F)c1-c1ccc([O-])cc1F ZINC001206051997 968018638 /nfs/dbraw/zinc/01/86/38/968018638.db2.gz WPBAHVMTJDBCNS-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM CC[C@H](NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000075424084 1165999798 /nfs/dbraw/zinc/99/97/98/1165999798.db2.gz HJDVMPWDBIMZMJ-JTQLQIEISA-N -1 3 245.681 2.432 20 0 BEADHM COC(=O)CCc1cc(C)c([O-])c(Cl)c1 ZINC000209811102 1166161624 /nfs/dbraw/zinc/16/16/24/1166161624.db2.gz OENQABJLDNVWCI-UHFFFAOYSA-N -1 3 228.675 2.460 20 0 BEADHM Cc1ccnc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC000222693067 1166245748 /nfs/dbraw/zinc/24/57/48/1166245748.db2.gz MECRJZIUJUUVLZ-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1ccnc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC000222693067 1166245759 /nfs/dbraw/zinc/24/57/59/1166245759.db2.gz MECRJZIUJUUVLZ-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM CC(C)(C)[C@@H](O)CNc1ccnc(Cl)c1[O-] ZINC001253719619 969345550 /nfs/dbraw/zinc/34/55/50/969345550.db2.gz AZWIDVPEHNZBDB-QMMMGPOBSA-N -1 3 244.722 2.260 20 0 BEADHM O=C(c1ccccc1[O-])N1CCC=C(Cl)C1 ZINC000404518540 1166359019 /nfs/dbraw/zinc/35/90/19/1166359019.db2.gz UOUOFZUFXXVJQZ-UHFFFAOYSA-N -1 3 237.686 2.361 20 0 BEADHM [O-]c1ccccc1-c1nnc(C2CC2)o1 ZINC000250248368 1166383899 /nfs/dbraw/zinc/38/38/99/1166383899.db2.gz VWTPVSUZPDQDBK-UHFFFAOYSA-N -1 3 202.213 2.320 20 0 BEADHM COc1cccc([O-])c1C(=O)NC/C=C/C1CC1 ZINC000405379545 1166887397 /nfs/dbraw/zinc/88/73/97/1166887397.db2.gz CPSOHDFUNJSKSX-ONEGZZNKSA-N -1 3 247.294 2.097 20 0 BEADHM C[C@@H](COC(C)(C)C)Oc1ccnc(=S)[n-]1 ZINC001226936336 975164266 /nfs/dbraw/zinc/16/42/66/975164266.db2.gz HGGXDEMOBRRIIH-QMMMGPOBSA-N -1 3 242.344 2.348 20 0 BEADHM CCc1cnc(=S)[n-]c1OCCOC(C)C ZINC001227061380 975247227 /nfs/dbraw/zinc/24/72/27/975247227.db2.gz IHSDQEVTTGBPKY-UHFFFAOYSA-N -1 3 242.344 2.132 20 0 BEADHM CC(C)C(Oc1ccc(=O)[n-]n1)C(C)C ZINC001227095457 975267627 /nfs/dbraw/zinc/26/76/27/975267627.db2.gz PUVFSSHWSYJPBL-UHFFFAOYSA-N -1 3 210.277 2.242 20 0 BEADHM CCC(CC)[C@@H](CC)Oc1[n-]c(=O)nnc1C ZINC001226461917 1167130560 /nfs/dbraw/zinc/13/05/60/1167130560.db2.gz YJMXZXLBPLLINZ-SNVBAGLBSA-N -1 3 239.319 2.479 20 0 BEADHM Cc1cccc(CC(=O)[N-]OC(C)(C)C)c1 ZINC000134229611 1167142624 /nfs/dbraw/zinc/14/26/24/1167142624.db2.gz IILOQERWLSZDAG-UHFFFAOYSA-N -1 3 221.300 2.384 20 0 BEADHM Cc1nc(O[C@H](C)c2ncccc2F)cc(=O)[n-]1 ZINC001226512162 1167140441 /nfs/dbraw/zinc/14/04/41/1167140441.db2.gz OIXWVEVKXVEDLF-SSDOTTSWSA-N -1 3 249.245 2.165 20 0 BEADHM O=c1cc(O[C@@H]2CCc3ccccc3C2)nc[n-]1 ZINC001226944707 1167199891 /nfs/dbraw/zinc/19/98/91/1167199891.db2.gz IKJMGTVKRSNCRV-GFCCVEGCSA-N -1 3 242.278 2.119 20 0 BEADHM C[C@@H](Cc1ccccc1)Oc1cc(=O)[n-]cn1 ZINC001226945422 1167201056 /nfs/dbraw/zinc/20/10/56/1167201056.db2.gz UMUORBRCQBQXFO-JTQLQIEISA-N -1 3 230.267 2.192 20 0 BEADHM Cc1nc(O[C@H]2CCC(F)(F)C2)c(C)c(=O)[n-]1 ZINC001229692143 976951582 /nfs/dbraw/zinc/95/15/82/976951582.db2.gz VKQALAHFZJINOW-QMMMGPOBSA-N -1 3 244.241 2.366 20 0 BEADHM CC[C@@H](C)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230790645 977333446 /nfs/dbraw/zinc/33/34/46/977333446.db2.gz PJZFZOGWJXQTQT-ZCFIWIBFSA-N -1 3 226.301 2.008 20 0 BEADHM CNc1ccc([N-]c2nc(C)ns2)c(F)n1 ZINC001203350497 977346014 /nfs/dbraw/zinc/34/60/14/977346014.db2.gz QONDYNGVVUEMMY-UHFFFAOYSA-N -1 3 239.279 2.166 20 0 BEADHM [O-]c1cc(CN2CCC[C@H](O)C2)ccc1Cl ZINC001231731925 977714096 /nfs/dbraw/zinc/71/40/96/977714096.db2.gz SPLNGFWFMAXPRA-JTQLQIEISA-N -1 3 241.718 2.002 20 0 BEADHM [O-]c1cc(CN2CCC[C@@H](O)C2)ccc1Cl ZINC001231733334 977720847 /nfs/dbraw/zinc/72/08/47/977720847.db2.gz SPLNGFWFMAXPRA-SNVBAGLBSA-N -1 3 241.718 2.002 20 0 BEADHM CCCC[C@H](O)CCC(=O)[N-]OC1CCCC1 ZINC001597626377 978345950 /nfs/dbraw/zinc/34/59/50/978345950.db2.gz HEQUQZQFRYCHPJ-NSHDSACASA-N -1 3 243.347 2.308 20 0 BEADHM CSC1(CNc2nc(C)cc(=O)[n-]2)CCC1 ZINC001337962628 978578938 /nfs/dbraw/zinc/57/89/38/978578938.db2.gz QXDVPHBWTSFLLV-UHFFFAOYSA-N -1 3 239.344 2.188 20 0 BEADHM CCC1(C(=O)Nc2cncc([O-])c2)CCC1 ZINC001179018499 978655875 /nfs/dbraw/zinc/65/58/75/978655875.db2.gz RUYJSSUICWBFEL-UHFFFAOYSA-N -1 3 220.272 2.306 20 0 BEADHM Cc1c(C(=O)[O-])cc(CN2[C@@H](C)C[C@@H]2C)n1C ZINC001599987038 978660090 /nfs/dbraw/zinc/66/00/90/978660090.db2.gz NRHFVWYWSITMIH-IUCAKERBSA-N -1 3 236.315 2.014 20 0 BEADHM [O-]c1cc(CN2CCC(F)(F)C2)ccc1F ZINC001236701267 979695581 /nfs/dbraw/zinc/69/55/81/979695581.db2.gz DCMQQUPEMGQIPE-UHFFFAOYSA-N -1 3 231.217 2.372 20 0 BEADHM C[C@@H]1C[C@@H](F)CN1Cc1ccc(F)c([O-])c1 ZINC001236702798 979695630 /nfs/dbraw/zinc/69/56/30/979695630.db2.gz MGGLBYJELFSQQM-PSASIEDQSA-N -1 3 227.254 2.464 20 0 BEADHM [O-]c1ccc(F)c(CNCCC(F)F)c1F ZINC001184313868 980000135 /nfs/dbraw/zinc/00/01/35/980000135.db2.gz BQFWNDYUPFNWAB-UHFFFAOYSA-N -1 3 237.196 2.415 20 0 BEADHM [O-]c1cccnc1CNc1cccc2c1OCC2 ZINC001169731588 1168500473 /nfs/dbraw/zinc/50/04/73/1168500473.db2.gz BSGCZSATDMWMIW-UHFFFAOYSA-N -1 3 242.278 2.334 20 0 BEADHM CC(C)=Cc1ccccc1-c1nnn[n-]1 ZINC001240632929 981524843 /nfs/dbraw/zinc/52/48/43/981524843.db2.gz QXOGOKGVVWSEIX-UHFFFAOYSA-N -1 3 200.245 2.290 20 0 BEADHM CC(C)=Cc1ccccc1-c1nn[n-]n1 ZINC001240632929 981524847 /nfs/dbraw/zinc/52/48/47/981524847.db2.gz QXOGOKGVVWSEIX-UHFFFAOYSA-N -1 3 200.245 2.290 20 0 BEADHM CC[C@@H](C)OC(=O)[N-]C1=NCC(=O)C=C1C ZINC001195078009 982062585 /nfs/dbraw/zinc/06/25/85/982062585.db2.gz ZBQARIDFSVEKOO-MRVPVSSYSA-N -1 3 224.260 2.443 20 0 BEADHM CCSc1c(C)cccc1-c1nnn[n-]1 ZINC001590853500 983001055 /nfs/dbraw/zinc/00/10/55/983001055.db2.gz FLCDPBWVFWGLHN-UHFFFAOYSA-N -1 3 220.301 2.287 20 0 BEADHM CCSc1c(C)cccc1-c1nn[n-]n1 ZINC001590853500 983001063 /nfs/dbraw/zinc/00/10/63/983001063.db2.gz FLCDPBWVFWGLHN-UHFFFAOYSA-N -1 3 220.301 2.287 20 0 BEADHM C[C@@H](CCCCC(=O)[O-])NCc1nccs1 ZINC001353945579 983094883 /nfs/dbraw/zinc/09/48/83/983094883.db2.gz MIYSZEGIDCTZLV-VIFPVBQESA-N -1 3 242.344 2.266 20 0 BEADHM C[C@H](F)CCN[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001592950777 983223995 /nfs/dbraw/zinc/22/39/95/983223995.db2.gz PODXAFVVEZLOJB-YUMQZZPRSA-N -1 3 229.251 2.377 20 0 BEADHM CC[C@@H]1C[C@H]1CNC(=O)c1ccc(C)cc1[O-] ZINC000388049697 1169057466 /nfs/dbraw/zinc/05/74/66/1169057466.db2.gz WMZNLSOFISQXAH-MNOVXSKESA-N -1 3 233.311 2.477 20 0 BEADHM CCCO[N-]C(=O)Cc1ccc(Cl)cc1 ZINC000686771134 1169112547 /nfs/dbraw/zinc/11/25/47/1169112547.db2.gz GLUOBHMSMJQIRI-UHFFFAOYSA-N -1 3 227.691 2.340 20 0 BEADHM CCCO[N-]C(=O)Cc1cccc(Cl)c1 ZINC000686769432 1169112782 /nfs/dbraw/zinc/11/27/82/1169112782.db2.gz CKSHFAXSOKMOMG-UHFFFAOYSA-N -1 3 227.691 2.340 20 0 BEADHM Cc1c(=O)[n-]cnc1OC(C1CC1)C1CC1 ZINC001226071781 974777533 /nfs/dbraw/zinc/77/75/33/974777533.db2.gz UUSCQOLUEBUPAN-UHFFFAOYSA-N -1 3 220.272 2.058 20 0 BEADHM [O-]c1cccnc1CN1CCC(F)(F)CC1 ZINC001138390575 1169355322 /nfs/dbraw/zinc/35/53/22/1169355322.db2.gz BNIDKYHNCSBPBK-UHFFFAOYSA-N -1 3 228.242 2.018 20 0 BEADHM C[C@@H]1CCN1Cc1sccc1C(=O)[O-] ZINC001144664392 972923744 /nfs/dbraw/zinc/92/37/44/972923744.db2.gz GLGGDELJXFVSOH-SSDOTTSWSA-N -1 3 211.286 2.041 20 0 BEADHM [O-]c1cc(F)c(Nc2ccno2)cc1F ZINC001215570448 970786499 /nfs/dbraw/zinc/78/64/99/970786499.db2.gz GHKMJRXGXVCVMW-UHFFFAOYSA-N -1 3 212.155 2.402 20 0 BEADHM [O-]c1cccc(-c2ccc3ncnn3c2F)c1F ZINC001243548326 970799380 /nfs/dbraw/zinc/79/93/80/970799380.db2.gz 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232.218 2.444 20 0 BEADHM Cn1cc([N-]c2c(Cl)ccnc2Cl)nn1 ZINC001216300301 971024598 /nfs/dbraw/zinc/02/45/98/971024598.db2.gz HPIFMODOQYTRJK-UHFFFAOYSA-N -1 3 244.085 2.261 20 0 BEADHM CC(=O)c1cccc(Nc2cnc[n-]c2=O)c1F ZINC001216499254 971096169 /nfs/dbraw/zinc/09/61/69/971096169.db2.gz VXAQYNJEDSQWGG-UHFFFAOYSA-N -1 3 247.229 2.268 20 0 BEADHM CC(C)CSc1cc(-c2nnn[n-]2)ccn1 ZINC000095207413 944616419 /nfs/dbraw/zinc/61/64/19/944616419.db2.gz AYCHFSNRIFEVOA-UHFFFAOYSA-N -1 3 235.316 2.010 20 0 BEADHM CC(C)CSc1cc(-c2nn[n-]n2)ccn1 ZINC000095207413 944616424 /nfs/dbraw/zinc/61/64/24/944616424.db2.gz AYCHFSNRIFEVOA-UHFFFAOYSA-N -1 3 235.316 2.010 20 0 BEADHM CCCOc1ccc(Nc2cnc[n-]c2=O)cn1 ZINC001216585264 971134929 /nfs/dbraw/zinc/13/49/29/971134929.db2.gz HLRINLLMRKFTPS-UHFFFAOYSA-N -1 3 246.270 2.110 20 0 BEADHM CCCCCC[C@H](C)Nc1cnc(C)[n-]c1=O ZINC001257359605 971273561 /nfs/dbraw/zinc/27/35/61/971273561.db2.gz UWRIKELPDXCLMC-CMPLNLGQSA-N -1 3 237.347 2.333 20 0 BEADHM Cc1cc(-c2ccc(F)nn2)cc([O-])c1F ZINC001244506962 971314685 /nfs/dbraw/zinc/31/46/85/971314685.db2.gz RBPTXWSVXUJBGZ-UHFFFAOYSA-N -1 3 222.194 2.436 20 0 BEADHM CC(C)(C)Cc1nnc(-c2ccc([O-])cn2)o1 ZINC001257834957 971501230 /nfs/dbraw/zinc/50/12/30/971501230.db2.gz NTKGVZMIWYZZKR-UHFFFAOYSA-N -1 3 233.271 2.426 20 0 BEADHM CCC(C)(C)NCc1ncc(C(=O)[O-])s1 ZINC000380066225 971673110 /nfs/dbraw/zinc/67/31/10/971673110.db2.gz HYVKBEGXXUWBLS-UHFFFAOYSA-N -1 3 228.317 2.120 20 0 BEADHM CC1=CCCN(Cc2occc2C(=O)[O-])C1 ZINC000382471060 971815038 /nfs/dbraw/zinc/81/50/38/971815038.db2.gz BKUZVTRRASYFNL-UHFFFAOYSA-N -1 3 221.256 2.130 20 0 BEADHM CCN(CCC(=O)[O-])Cc1cccc(C)c1F ZINC000384607103 971939024 /nfs/dbraw/zinc/93/90/24/971939024.db2.gz GSFQQVQRCFWSTP-UHFFFAOYSA-N -1 3 239.290 2.431 20 0 BEADHM [O-]c1cc(F)cc(-c2cnc(N3CCC3)nc2)c1 ZINC001241272004 1169716747 /nfs/dbraw/zinc/71/67/47/1169716747.db2.gz LQJZMIYEWGJEJX-UHFFFAOYSA-N -1 3 245.257 2.198 20 0 BEADHM [O-]c1cc(F)cc(-c2cnc(F)nc2F)c1 ZINC001241270850 1169717308 /nfs/dbraw/zinc/71/73/08/1169717308.db2.gz CLQZDFDKTPFRCZ-UHFFFAOYSA-N -1 3 226.157 2.267 20 0 BEADHM Cc1cnc(F)c(Nc2cnc(C)[n-]c2=O)c1 ZINC001211500138 957065306 /nfs/dbraw/zinc/06/53/06/957065306.db2.gz NXEOVLYZXBRAEM-UHFFFAOYSA-N -1 3 234.234 2.077 20 0 BEADHM Nc1ccc2cnn(-c3ccc(F)cc3[O-])c2c1 ZINC001210016667 957604253 /nfs/dbraw/zinc/60/42/53/957604253.db2.gz NTGHUGVARCGCBF-UHFFFAOYSA-N -1 3 243.241 2.452 20 0 BEADHM Nc1cn(-c2cccc(Cl)c2[O-])nc1Cl ZINC001210219174 957685089 /nfs/dbraw/zinc/68/50/89/957685089.db2.gz PMFUCEBZYNLXOC-UHFFFAOYSA-N -1 3 244.081 2.467 20 0 BEADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])C1(C)CC1 ZINC000706231159 957719727 /nfs/dbraw/zinc/71/97/27/957719727.db2.gz WJUWWIBWNDYBQO-QMMMGPOBSA-N -1 3 235.283 2.016 20 0 BEADHM Cc1coc([N-]c2cnn(C(F)(F)F)c2)n1 ZINC001210357851 957732492 /nfs/dbraw/zinc/73/24/92/957732492.db2.gz LOIABTJLQWUUJH-UHFFFAOYSA-N -1 3 232.165 2.399 20 0 BEADHM Cc1ncc(Nc2ccc(F)c(O)c2)c(=O)[n-]1 ZINC001211215494 958071973 /nfs/dbraw/zinc/07/19/73/958071973.db2.gz RYAWRLJCDAMVQR-UHFFFAOYSA-N -1 3 235.218 2.079 20 0 BEADHM NCc1ccc(-c2cc(F)c([O-])cc2F)cn1 ZINC001211350926 958166730 /nfs/dbraw/zinc/16/67/30/958166730.db2.gz YXWHMFLRZLQXLM-UHFFFAOYSA-N -1 3 236.221 2.191 20 0 BEADHM O=C([O-])c1cccc(CN2CC3(CCC3)C2)c1 ZINC000093967916 958259581 /nfs/dbraw/zinc/25/95/81/958259581.db2.gz OTEJSMHTMXPGAQ-UHFFFAOYSA-N -1 3 231.295 2.371 20 0 BEADHM CCc1nc(C2(N)CCCC2)sc1C(=O)[O-] ZINC000163323766 959232088 /nfs/dbraw/zinc/23/20/88/959232088.db2.gz BRZFBNXCKALCDG-UHFFFAOYSA-N -1 3 240.328 2.132 20 0 BEADHM CC[C@@]1(C)CCN(Cc2cncc(C(=O)[O-])c2)C1 ZINC000721606495 959824598 /nfs/dbraw/zinc/82/45/98/959824598.db2.gz WRLYZMLBGOUOEB-AWEZNQCLSA-N -1 3 248.326 2.402 20 0 BEADHM C[C@@H](C1CC1)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000227032416 959912682 /nfs/dbraw/zinc/91/26/82/959912682.db2.gz UVCXLBKDKWNGIO-HZMBPMFUSA-N -1 3 245.322 2.469 20 0 BEADHM Cc1cc(-c2ccc(N)cn2)cc([O-])c1F ZINC001244496140 1169772660 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PAOLNINRGMFKEU-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1cncc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001240236613 967449806 /nfs/dbraw/zinc/44/98/06/967449806.db2.gz PAOLNINRGMFKEU-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Cc1cnc(-c2ccsc2C(=O)[O-])cc1N ZINC001205547540 967685057 /nfs/dbraw/zinc/68/50/57/967685057.db2.gz LTGPUQSEDRLEBX-UHFFFAOYSA-N -1 3 234.280 2.399 20 0 BEADHM [O-]c1c(Cl)cccc1CCn1ccnc1 ZINC001250319525 967693690 /nfs/dbraw/zinc/69/36/90/967693690.db2.gz TXGDOKUOLJBTGK-UHFFFAOYSA-N -1 3 222.675 2.485 20 0 BEADHM [O-]c1ccc(-c2cnc3cc[nH]c3n2)c(F)c1 ZINC001206021151 967970940 /nfs/dbraw/zinc/97/09/40/967970940.db2.gz GXJRXJFUEBICDE-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM Cc1ncc(Nc2cnn(C(C)(C)C)c2)c(=O)[n-]1 ZINC001212569687 967975805 /nfs/dbraw/zinc/97/58/05/967975805.db2.gz RQMQLQGQYVZQRI-UHFFFAOYSA-N -1 3 247.302 2.186 20 0 BEADHM [O-]c1ccc(-c2ccc3nc[nH]c3n2)c(F)c1 ZINC001206021448 967976272 /nfs/dbraw/zinc/97/62/72/967976272.db2.gz OOIOTMQBTHCOAU-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM COc1nc(-c2ccc([O-])cc2F)ncc1F ZINC001206021850 967983615 /nfs/dbraw/zinc/98/36/15/967983615.db2.gz QWPVASHJYWHRNX-UHFFFAOYSA-N -1 3 238.193 2.136 20 0 BEADHM [O-]c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1 ZINC001206022375 967985850 /nfs/dbraw/zinc/98/58/50/967985850.db2.gz YYYAKHJMKSSOPR-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM CN(C)c1cnc(-c2ccc([O-])cc2F)cn1 ZINC001206030374 967991326 /nfs/dbraw/zinc/99/13/26/967991326.db2.gz VBNHSVUHMWDBIH-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM NC(=S)c1cccnc1-c1ccc([O-])cc1F ZINC001206037066 967995542 /nfs/dbraw/zinc/99/55/42/967995542.db2.gz BXIGJNZCMJHQLL-UHFFFAOYSA-N -1 3 248.282 2.228 20 0 BEADHM [O-]c1ccc(-c2ncc3c(n2)CCCN3)c(F)c1 ZINC001206030528 967996330 /nfs/dbraw/zinc/99/63/30/967996330.db2.gz ZZALNEXEERGMJE-UHFFFAOYSA-N -1 3 245.257 2.346 20 0 BEADHM [O-]c1ccc(-c2ccn3cnnc3c2)c(F)c1 ZINC001206051967 968017973 /nfs/dbraw/zinc/01/79/73/968017973.db2.gz UVZSVVXNVHWZQJ-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cc1ccc(-c2cc([O-])cc(F)c2)nn1 ZINC001250520153 968026224 /nfs/dbraw/zinc/02/62/24/968026224.db2.gz RQDRLDYSDPCICX-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM CC(C)n1ncc(-c2ccc([O-])cc2F)cc1=O ZINC001206081057 968047145 /nfs/dbraw/zinc/04/71/45/968047145.db2.gz TXQCSPWBHGJSMC-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM CCOC(=O)c1nc2cccc(OCC)c2[n-]1 ZINC001250550651 968056272 /nfs/dbraw/zinc/05/62/72/968056272.db2.gz YUGSUDPOFSZLTJ-UHFFFAOYSA-N -1 3 234.255 2.138 20 0 BEADHM NC(=O)c1ccccc1-c1cccc(F)c1[O-] ZINC001250610458 968158923 /nfs/dbraw/zinc/15/89/23/968158923.db2.gz JVDLOAFKKZGNBU-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001229957567 968432081 /nfs/dbraw/zinc/43/20/81/968432081.db2.gz LMNPXQXAPUKQGN-QMMMGPOBSA-N -1 3 230.271 2.044 20 0 BEADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001229957567 968432093 /nfs/dbraw/zinc/43/20/93/968432093.db2.gz LMNPXQXAPUKQGN-QMMMGPOBSA-N -1 3 230.271 2.044 20 0 BEADHM CC(C)=Cc1cccc(-c2nnn[n-]2)c1 ZINC001240640981 968612217 /nfs/dbraw/zinc/61/22/17/968612217.db2.gz YTWQDCVFHUEQSP-UHFFFAOYSA-N -1 3 200.245 2.290 20 0 BEADHM CC(C)=Cc1cccc(-c2nn[n-]n2)c1 ZINC001240640981 968612222 /nfs/dbraw/zinc/61/22/22/968612222.db2.gz YTWQDCVFHUEQSP-UHFFFAOYSA-N -1 3 200.245 2.290 20 0 BEADHM CC(C)=Cc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001240640897 968615309 /nfs/dbraw/zinc/61/53/09/968615309.db2.gz VVWJZPLVDDSLCA-UHFFFAOYSA-N -1 3 218.235 2.429 20 0 BEADHM CC(C)=Cc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001240640897 968615314 /nfs/dbraw/zinc/61/53/14/968615314.db2.gz VVWJZPLVDDSLCA-UHFFFAOYSA-N -1 3 218.235 2.429 20 0 BEADHM Cc1csc([N-]S(=O)(=O)C(C)C)c1 ZINC001252427081 968682363 /nfs/dbraw/zinc/68/23/63/968682363.db2.gz KACUJCHWVFGEPM-UHFFFAOYSA-N -1 3 219.331 2.207 20 0 BEADHM COC(=O)c1cc(-c2ccc([O-])c(F)c2)ccn1 ZINC001240785932 968686099 /nfs/dbraw/zinc/68/60/99/968686099.db2.gz VENMYBOMSMDZFD-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM CC(=O)c1sccc1[N-]S(=O)(=O)C(C)C ZINC001252432499 968687362 /nfs/dbraw/zinc/68/73/62/968687362.db2.gz BUUZEBYUFQPVIO-UHFFFAOYSA-N -1 3 247.341 2.101 20 0 BEADHM Cc1ccc(-c2nccnc2C)c([O-])c1 ZINC001241028923 968867103 /nfs/dbraw/zinc/86/71/03/968867103.db2.gz YMWZTIDAGSHGIG-UHFFFAOYSA-N -1 3 200.241 2.466 20 0 BEADHM CCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000005792923 968981856 /nfs/dbraw/zinc/98/18/56/968981856.db2.gz DDBBWDREHWCNNG-UHFFFAOYSA-N -1 3 218.260 2.046 20 0 BEADHM O=S(=O)(Cc1ccccc1)[N-]c1ccoc1 ZINC001252816833 969014840 /nfs/dbraw/zinc/01/48/40/969014840.db2.gz HRSVVUSRCIISDH-UHFFFAOYSA-N -1 3 237.280 2.222 20 0 BEADHM C[C@@](O)(CN[C@H]1[CH]CC=C1)c1ccccc1 ZINC001253124508 969093479 /nfs/dbraw/zinc/09/34/79/969093479.db2.gz ILPSSLOFNPODMJ-ZIAGYGMSSA-N -1 3 216.304 2.016 20 0 BEADHM Cc1ccncc1NCc1ncccc1[O-] ZINC000381619466 969166973 /nfs/dbraw/zinc/16/69/73/969166973.db2.gz XVMLLFCWZHPPJC-UHFFFAOYSA-N -1 3 215.256 2.103 20 0 BEADHM CC(C)(C)[C@H](O)CNc1ccc(F)c(F)c1[O-] ZINC001253734662 969356271 /nfs/dbraw/zinc/35/62/71/969356271.db2.gz GYURWYRNAQAPEO-SECBINFHSA-N -1 3 245.269 2.489 20 0 BEADHM CC(C)[C@@H](O)CNc1cc(F)c([O-])c(F)c1 ZINC001253770922 969391654 /nfs/dbraw/zinc/39/16/54/969391654.db2.gz CETINNQZHXPWNH-JTQLQIEISA-N -1 3 231.242 2.099 20 0 BEADHM CCCc1nnc(-c2c(C)cc(O)cc2[O-])o1 ZINC001254031664 969453271 /nfs/dbraw/zinc/45/32/71/969453271.db2.gz HELROYDREMMFCJ-UHFFFAOYSA-N -1 3 234.255 2.409 20 0 BEADHM COc1cc(C)c(Nc2ncc(F)cc2[O-])cn1 ZINC001209871752 969668355 /nfs/dbraw/zinc/66/83/55/969668355.db2.gz MZADTCPTNYHWHT-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM Nc1cnncc1Nc1ccc(Cl)c([O-])c1 ZINC001212590535 969669290 /nfs/dbraw/zinc/66/92/90/969669290.db2.gz QSFJAEKRCSTSFM-UHFFFAOYSA-N -1 3 236.662 2.161 20 0 BEADHM C=Cc1ccccc1[N-]c1nonc1OC ZINC001209944752 969704994 /nfs/dbraw/zinc/70/49/94/969704994.db2.gz OLDIHCDZQUTBOW-UHFFFAOYSA-N -1 3 217.228 2.465 20 0 BEADHM [O-]c1c(F)cc(Nc2ccnnc2)cc1F ZINC001209960331 969722131 /nfs/dbraw/zinc/72/21/31/969722131.db2.gz GGHWMXGGWBWOQK-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM Cc1cc(Nc2cc(=O)[n-]c(=S)[nH]2)ccc1O ZINC001209975362 969745894 /nfs/dbraw/zinc/74/58/94/969745894.db2.gz SKANOPBFKVWNFU-UHFFFAOYSA-N -1 3 249.295 2.229 20 0 BEADHM Nc1c2c(nn1-c1ccc(F)cc1[O-])CCCC2 ZINC001210016998 969760287 /nfs/dbraw/zinc/76/02/87/969760287.db2.gz SJMQSLKGIGPNAK-UHFFFAOYSA-N -1 3 247.273 2.178 20 0 BEADHM Cc1nnc(Nc2cccc(Cl)c2[O-])o1 ZINC001210216821 969835108 /nfs/dbraw/zinc/83/51/08/969835108.db2.gz OZWISNWTQSRFIS-UHFFFAOYSA-N -1 3 225.635 2.481 20 0 BEADHM Cc1nnc([N-]c2cccc(Cl)c2O)o1 ZINC001210216821 969835113 /nfs/dbraw/zinc/83/51/13/969835113.db2.gz OZWISNWTQSRFIS-UHFFFAOYSA-N -1 3 225.635 2.481 20 0 BEADHM [O-]c1cccnc1CNc1cnc(C2CC2)nc1 ZINC001169732429 969837385 /nfs/dbraw/zinc/83/73/85/969837385.db2.gz WVNIDUWBFFANJG-UHFFFAOYSA-N -1 3 242.282 2.067 20 0 BEADHM CC(C)n1cc(Nc2ncc(F)cc2[O-])cn1 ZINC001210320270 969866094 /nfs/dbraw/zinc/86/60/94/969866094.db2.gz XSRINPOKDUWAMA-UHFFFAOYSA-N -1 3 236.250 2.447 20 0 BEADHM Cc1ncc(Nc2cnn(C(C)C)c2)c(=O)[n-]1 ZINC001210320513 969867070 /nfs/dbraw/zinc/86/70/70/969867070.db2.gz ODFRGCKHRWFDCH-UHFFFAOYSA-N -1 3 233.275 2.012 20 0 BEADHM CC(C)Cc1cc([N-]c2ccn(C)n2)on1 ZINC001210347046 969874000 /nfs/dbraw/zinc/87/40/00/969874000.db2.gz BCPBGSFXNZJMBC-UHFFFAOYSA-N -1 3 220.276 2.350 20 0 BEADHM O=c1[n-]cncc1Nc1ccc2ocnc2c1 ZINC001210571119 969948440 /nfs/dbraw/zinc/94/84/40/969948440.db2.gz QZIALUXYEOQDOA-UHFFFAOYSA-N -1 3 228.211 2.067 20 0 BEADHM CC(=O)c1cc([N-]c2nonc2C2CC2)ccn1 ZINC001210590979 969965495 /nfs/dbraw/zinc/96/54/95/969965495.db2.gz STYCXBXLWSOXGZ-UHFFFAOYSA-N -1 3 244.254 2.288 20 0 BEADHM Nc1cccc2c1cnn2-c1ccc(F)c([O-])c1 ZINC001211217276 970174988 /nfs/dbraw/zinc/17/49/88/970174988.db2.gz JBBQZMOYEABJAK-UHFFFAOYSA-N -1 3 243.241 2.452 20 0 BEADHM Cc1cc(-c2ccc(F)c([O-])c2)cc(=O)o1 ZINC001243051394 970207685 /nfs/dbraw/zinc/20/76/85/970207685.db2.gz LLWLBMIKYPWWBW-UHFFFAOYSA-N -1 3 220.199 2.460 20 0 BEADHM Cc1cncc(Nc2cc(=O)[n-]c(=S)[nH]2)c1C ZINC001213525297 970344889 /nfs/dbraw/zinc/34/48/89/970344889.db2.gz QPXIEXIKUZTEGQ-UHFFFAOYSA-N -1 3 248.311 2.226 20 0 BEADHM C[C@@H](C(=O)[O-])N1CC2(CCC2)[C@H]1c1ccco1 ZINC001609642059 970432177 /nfs/dbraw/zinc/43/21/77/970432177.db2.gz BYGUSDSPZQDZCB-GXSJLCMTSA-N -1 3 235.283 2.280 20 0 BEADHM Cc1cc(CO)ccc1Nc1ncc(F)cc1[O-] ZINC001214661536 970526728 /nfs/dbraw/zinc/52/67/28/970526728.db2.gz VOBMWEGLCBXCIX-UHFFFAOYSA-N -1 3 248.257 2.471 20 0 BEADHM Cc1cc(C(N)=O)cc(-c2ccc([O-])cc2F)n1 ZINC001206044513 970651853 /nfs/dbraw/zinc/65/18/53/970651853.db2.gz PLXAMCWCBJTWMP-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM CC/C=C/[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001256102217 970659597 /nfs/dbraw/zinc/65/95/97/970659597.db2.gz JKSUCNLYBPFNFN-ZZXKWVIFSA-N -1 3 247.266 2.167 20 0 BEADHM CC(C)CN(CC=C(Cl)Cl)CC(=O)[O-] ZINC000403407193 973675027 /nfs/dbraw/zinc/67/50/27/973675027.db2.gz JUAIVYAGRTZCQJ-UHFFFAOYSA-N -1 3 240.130 2.348 20 0 BEADHM CC(=O)c1cc(C(=O)N[C@@H](C)C2CC2)ccc1[O-] ZINC001148664442 973878137 /nfs/dbraw/zinc/87/81/37/973878137.db2.gz NDRNRHOMDPAINS-QMMMGPOBSA-N -1 3 247.294 2.123 20 0 BEADHM Cc1ccc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)o1 ZINC000405498009 973891702 /nfs/dbraw/zinc/89/17/02/973891702.db2.gz RGHAONBBCXLIKY-GFCCVEGCSA-N -1 3 249.310 2.275 20 0 BEADHM O=C(CC1CC1)[N-]Oc1ccccc1F ZINC001329915900 974020722 /nfs/dbraw/zinc/02/07/22/974020722.db2.gz HOKDCYZGUJAAOI-UHFFFAOYSA-N -1 3 209.220 2.036 20 0 BEADHM C[C@@H]1C[C@@H](Oc2ccc3c([O-])coc3c2)CCO1 ZINC001225340374 974416291 /nfs/dbraw/zinc/41/62/91/974416291.db2.gz KOTDOFCPAZWBPB-KOLCDFICSA-N -1 3 248.278 2.208 20 0 BEADHM O=C1CCCC[C@H]1Oc1ccc2c([O-])coc2c1 ZINC001225340341 974416796 /nfs/dbraw/zinc/41/67/96/974416796.db2.gz JLDMGMKIOIECHK-CYBMUJFWSA-N -1 3 246.262 2.152 20 0 BEADHM C[C@H](Oc1ccc2c([O-])coc2c1)C1CC1 ZINC001225339829 974417689 /nfs/dbraw/zinc/41/76/89/974417689.db2.gz TXOFITHOCDGHNG-QMMMGPOBSA-N -1 3 218.252 2.439 20 0 BEADHM Cc1ccccc1OCCC(=O)[N-]OC1CCC1 ZINC001330804426 974483060 /nfs/dbraw/zinc/48/30/60/974483060.db2.gz QKYAIXVICGWGGC-UHFFFAOYSA-N -1 3 249.310 2.364 20 0 BEADHM Cc1cnc(=S)[n-]c1O[C@@H](C)C(F)(F)F ZINC001225741229 974664974 /nfs/dbraw/zinc/66/49/74/974664974.db2.gz SOXFFHFDAUDERY-YFKPBYRVSA-N -1 3 238.234 2.403 20 0 BEADHM CC(=O)c1ccc([O-])c(OC2CCC(=O)CC2)c1 ZINC001225999080 974760886 /nfs/dbraw/zinc/76/08/86/974760886.db2.gz SSZCPDPAPNRIME-UHFFFAOYSA-N -1 3 248.278 2.485 20 0 BEADHM Cc1ccc([C@@H](C)Oc2nc[n-]c(=O)c2C)cn1 ZINC001226074581 974777293 /nfs/dbraw/zinc/77/72/93/974777293.db2.gz CNMDXFXPYZEMLY-SNVBAGLBSA-N -1 3 245.282 2.334 20 0 BEADHM CC[C@@H](Oc1nc[n-]c(=O)c1C)C(C)C ZINC001226077756 974779976 /nfs/dbraw/zinc/77/99/76/974779976.db2.gz VWVISMXEQHIHQH-SECBINFHSA-N -1 3 210.277 2.304 20 0 BEADHM COC(C)(C)C[C@H](C)Oc1nc[n-]c(=O)c1C ZINC001226076180 974780651 /nfs/dbraw/zinc/78/06/51/974780651.db2.gz MHTINZHVXIJJOX-QMMMGPOBSA-N -1 3 240.303 2.073 20 0 BEADHM CCC[C@H](Oc1[n-]c(=O)nnc1C)C(C)C ZINC001226461929 974913712 /nfs/dbraw/zinc/91/37/12/974913712.db2.gz ZAEHJYFRYCSSES-VIFPVBQESA-N -1 3 225.292 2.089 20 0 BEADHM Cc1cccc([C@H](C)Oc2[n-]c(=O)nnc2C)c1 ZINC001226463543 974915525 /nfs/dbraw/zinc/91/55/25/974915525.db2.gz HGXNACSAWZVODN-JTQLQIEISA-N -1 3 245.282 2.334 20 0 BEADHM Cc1nnc(=O)[n-]c1OC1CCCCCCC1 ZINC001226465821 974917975 /nfs/dbraw/zinc/91/79/75/974917975.db2.gz ZOEUYMWBHKAEDQ-UHFFFAOYSA-N -1 3 237.303 2.377 20 0 BEADHM CCc1nc(O[C@H]2C=CCCC2)cc(=O)[n-]1 ZINC001226474463 974921535 /nfs/dbraw/zinc/92/15/35/974921535.db2.gz FXVCHFPEWPHTDK-VIFPVBQESA-N -1 3 220.272 2.232 20 0 BEADHM CCc1nc(O[C@H](C)Cc2ccco2)cc(=O)[n-]1 ZINC001226476913 974922835 /nfs/dbraw/zinc/92/28/35/974922835.db2.gz UHAINCAKEFKYQB-SECBINFHSA-N -1 3 248.282 2.348 20 0 BEADHM CC(=O)c1ccc([O-])c(O[C@@H](C)C2CC2)c1O ZINC001226479762 974923328 /nfs/dbraw/zinc/92/33/28/974923328.db2.gz SVHCRUKPFANJPB-QMMMGPOBSA-N -1 3 236.267 2.478 20 0 BEADHM CC[C@H](C)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226478277 974923929 /nfs/dbraw/zinc/92/39/29/974923929.db2.gz CXCNVURQPZGATJ-ZETCQYMHSA-N -1 3 224.256 2.478 20 0 BEADHM Cc1ccc([C@H](C)Oc2cc(=O)[n-]c(C)n2)cn1 ZINC001226511313 974933064 /nfs/dbraw/zinc/93/30/64/974933064.db2.gz WMEJUGGQTANVBO-VIFPVBQESA-N -1 3 245.282 2.334 20 0 BEADHM CC(C)OC(=O)CC[C@H](C)NC1=CC=C[CH]1 ZINC001172762761 974934560 /nfs/dbraw/zinc/93/45/60/974934560.db2.gz ZOPHAAXUFUBAQD-NSHDSACASA-N -1 3 222.308 2.354 20 0 BEADHM COc1cccc2c1C[C@H](N[C@@H]1[CH]CC=C1)CO2 ZINC001173160699 975048756 /nfs/dbraw/zinc/04/87/56/975048756.db2.gz MCFBGHKXDPWFKV-RYUDHWBXSA-N -1 3 244.314 2.121 20 0 BEADHM S=c1nccc(OC2Cc3ccccc3C2)[n-]1 ZINC001226937149 975162766 /nfs/dbraw/zinc/16/27/66/975162766.db2.gz OFKXXXXTKFMFJO-UHFFFAOYSA-N -1 3 244.319 2.312 20 0 BEADHM C[C@@H]1CC[C@@H](C)[C@H](Oc2cc(=O)[n-]cn2)C1 ZINC001226943921 975169981 /nfs/dbraw/zinc/16/99/81/975169981.db2.gz ANRBSHNTTHOAGF-OPRDCNLKSA-N -1 3 222.288 2.386 20 0 BEADHM O=c1cc(O[C@@H](c2cccnc2)C2CC2)nc[n-]1 ZINC001226943929 975171973 /nfs/dbraw/zinc/17/19/73/975171973.db2.gz ATZNNUOZBJJOMP-CYBMUJFWSA-N -1 3 243.266 2.107 20 0 BEADHM CCc1cnc(=S)[n-]c1OC1CC=CC1 ZINC001227061714 975249322 /nfs/dbraw/zinc/24/93/22/975249322.db2.gz NTUBATMFKSCSKP-UHFFFAOYSA-N -1 3 222.313 2.425 20 0 BEADHM CC(C)CC[C@H](C)Oc1ccc(=O)[n-]n1 ZINC001227094220 975259958 /nfs/dbraw/zinc/25/99/58/975259958.db2.gz COBMHCSHEKQQMU-VIFPVBQESA-N -1 3 210.277 2.386 20 0 BEADHM C[C@@H](Oc1ccc(=O)[n-]n1)c1ccc(F)cc1 ZINC001227094117 975267091 /nfs/dbraw/zinc/26/70/91/975267091.db2.gz BBVJVBUECJGPQS-MRVPVSSYSA-N -1 3 234.230 2.461 20 0 BEADHM O=c1ccc(O[C@@H](c2cccnc2)C2CC2)n[n-]1 ZINC001227093831 975267815 /nfs/dbraw/zinc/26/78/15/975267815.db2.gz UHKFQEZKGAPMOW-CYBMUJFWSA-N -1 3 243.266 2.107 20 0 BEADHM COc1cccc2[nH]c(-c3ccncc3[O-])nc21 ZINC000721255346 975502305 /nfs/dbraw/zinc/50/23/05/975502305.db2.gz DEHWMJPSHUEFCY-UHFFFAOYSA-N -1 3 241.250 2.339 20 0 BEADHM C=Cc1c[n-]c(=O)nc1O[C@H]1CCCC[C@H]1F ZINC001227717994 975639760 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/nfs/dbraw/zinc/59/93/97/982599397.db2.gz JAYRROCAMQHPBW-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Cn1cc2cccc(-c3ccc(=S)[n-]n3)c2n1 ZINC001241467739 982625324 /nfs/dbraw/zinc/62/53/24/982625324.db2.gz VTVYWFNZRZESRA-UHFFFAOYSA-N -1 3 242.307 2.319 20 0 BEADHM S=c1ccc(-c2ccc3c(c2)NCCO3)n[n-]1 ZINC001241473814 982631455 /nfs/dbraw/zinc/63/14/55/982631455.db2.gz DAODRHGJVXYCPG-UHFFFAOYSA-N -1 3 245.307 2.237 20 0 BEADHM S=c1ccc(-c2ccc3nccnc3c2)n[n-]1 ZINC001241489195 982638526 /nfs/dbraw/zinc/63/85/26/982638526.db2.gz OJHOOLRDKIAGAP-UHFFFAOYSA-N -1 3 240.291 2.376 20 0 BEADHM Nc1ccc(C(=O)NC2(C3CC3)CCC2)c([O-])c1 ZINC001353194661 982754913 /nfs/dbraw/zinc/75/49/13/982754913.db2.gz BHVAZZDNFZUBGB-UHFFFAOYSA-N -1 3 246.310 2.037 20 0 BEADHM Cn1cc2ccc(-c3ccc(=S)[n-]n3)cc2n1 ZINC001241599231 982839010 /nfs/dbraw/zinc/83/90/10/982839010.db2.gz FHGNRWVNWIMSJW-UHFFFAOYSA-N -1 3 242.307 2.319 20 0 BEADHM C/C=C\CSCc1cncc(-c2nnn[n-]2)c1 ZINC001590356379 982935574 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/nfs/dbraw/zinc/96/46/07/982964607.db2.gz BHBRUQMMXYEGKW-UHFFFAOYSA-N -1 3 249.293 2.242 20 0 BEADHM CCCCN(C)c1cc(F)ccc1-c1nn[n-]n1 ZINC001590600211 982964615 /nfs/dbraw/zinc/96/46/15/982964615.db2.gz BHBRUQMMXYEGKW-UHFFFAOYSA-N -1 3 249.293 2.242 20 0 BEADHM S=c1ccc(-c2cnn(C3CCC3)c2)n[n-]1 ZINC001241721629 983003276 /nfs/dbraw/zinc/00/32/76/983003276.db2.gz SCGJZAIYEHFWOR-UHFFFAOYSA-N -1 3 232.312 2.354 20 0 BEADHM CC(C)c1[nH]c(CN2C[C@@H]3C[C@@H]3C2)cc1C(=O)[O-] ZINC001591912117 983104253 /nfs/dbraw/zinc/10/42/53/983104253.db2.gz DAKSAVAMEPZBFC-AOOOYVTPSA-N -1 3 248.326 2.288 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@H]1C[C@H]1C ZINC001592107979 983112567 /nfs/dbraw/zinc/11/25/67/983112567.db2.gz CZGFNELUJTYHAC-MWLCHTKSSA-N -1 3 244.298 2.210 20 0 BEADHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@H]1C[C@H]1C ZINC001592107979 983112571 /nfs/dbraw/zinc/11/25/71/983112571.db2.gz CZGFNELUJTYHAC-MWLCHTKSSA-N -1 3 244.298 2.210 20 0 BEADHM Cc1cccc(-c2ccc(-c3nnn[n-]3)s2)n1 ZINC001592208999 983126218 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/nfs/dbraw/zinc/41/95/77/983419577.db2.gz WVSQVWCHRAWZMT-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM O=c1[n-]cncc1Nc1ccc(C2CC2)nc1 ZINC001201708857 983419668 /nfs/dbraw/zinc/41/96/68/983419668.db2.gz ZGOFAZKJSPUWLP-UHFFFAOYSA-N -1 3 228.255 2.198 20 0 BEADHM FC(F)n1cc([N-]c2ncco2)cn1 ZINC001201723951 983426553 /nfs/dbraw/zinc/42/65/53/983426553.db2.gz JYJMVGCBVKOCJA-UHFFFAOYSA-N -1 3 200.148 2.010 20 0 BEADHM O=C1Cc2cc(-c3cccc(F)c3[O-])cnc2N1 ZINC001242350902 983620559 /nfs/dbraw/zinc/62/05/59/983620559.db2.gz AFAMQRUOEWHFLL-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM COC(=O)c1cncc(-c2cccc(F)c2[O-])c1 ZINC001242350986 983622444 /nfs/dbraw/zinc/62/24/44/983622444.db2.gz BLAZRSYRNSHIAI-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM Nc1cn2ccc(-c3cccc(F)c3[O-])cc2n1 ZINC001242350884 983623641 /nfs/dbraw/zinc/62/36/41/983623641.db2.gz ACJYOKORERMAPI-UHFFFAOYSA-N -1 3 243.241 2.428 20 0 BEADHM CN(C)c1ncc(-c2cccc(F)c2[O-])cn1 ZINC001242351074 983625500 /nfs/dbraw/zinc/62/55/00/983625500.db2.gz DBDKSKKXOMZTQA-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM Cc1cc(-c2cccc(F)c2[O-])cnc1C(N)=O ZINC001242352986 983629262 /nfs/dbraw/zinc/62/92/62/983629262.db2.gz JNIIKGBXFVGFHB-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM [O-]c1c(F)cccc1-c1ccnc2c1CCN2 ZINC001242354278 983635382 /nfs/dbraw/zinc/63/53/82/983635382.db2.gz WVXUEVUBYFWJRN-UHFFFAOYSA-N -1 3 230.242 2.204 20 0 BEADHM OCc1ccc(-c2ccc(=S)[n-]n2)cc1F ZINC001242532468 983854578 /nfs/dbraw/zinc/85/45/78/983854578.db2.gz UVRSJWFMVAVVSW-UHFFFAOYSA-N -1 3 236.271 2.064 20 0 BEADHM CC(=O)c1cccc([O-])c1NC(=O)NC(C)C ZINC001202527368 983867558 /nfs/dbraw/zinc/86/75/58/983867558.db2.gz SWLPKVWSPJGAFI-UHFFFAOYSA-N -1 3 236.271 2.125 20 0 BEADHM CCC[C@@H](O)CNc1ccc(F)c(F)c1[O-] ZINC001252797544 983893452 /nfs/dbraw/zinc/89/34/52/983893452.db2.gz QCCIBVNLGYXNBO-SSDOTTSWSA-N -1 3 231.242 2.243 20 0 BEADHM CCNC(=O)Nc1c([O-])cccc1Cl ZINC001202549573 984014919 /nfs/dbraw/zinc/01/49/19/984014919.db2.gz ADMFRLQQSHLNBH-UHFFFAOYSA-N -1 3 214.652 2.187 20 0 BEADHM CC=C(C)c1ccccc1-c1nnn[n-]1 ZINC001242757326 984114861 /nfs/dbraw/zinc/11/48/61/984114861.db2.gz HMAOCADILNUQAT-FPYGCLRLSA-N -1 3 200.245 2.290 20 0 BEADHM CC=C(C)c1ccccc1-c1nn[n-]n1 ZINC001242757326 984114865 /nfs/dbraw/zinc/11/48/65/984114865.db2.gz HMAOCADILNUQAT-FPYGCLRLSA-N -1 3 200.245 2.290 20 0 BEADHM CCc1cccc(-c2noc(-c3cnn[n-]3)n2)c1 ZINC001212799111 984164752 /nfs/dbraw/zinc/16/47/52/984164752.db2.gz JPOXRPPPVCNHNF-UHFFFAOYSA-N -1 3 241.254 2.084 20 0 BEADHM CCc1cccc(-c2noc(-c3c[n-]nn3)n2)c1 ZINC001212799111 984164762 /nfs/dbraw/zinc/16/47/62/984164762.db2.gz JPOXRPPPVCNHNF-UHFFFAOYSA-N -1 3 241.254 2.084 20 0 BEADHM Cc1ccc(-c2noc(-c3cnn[n-]3)n2)c(C)c1 ZINC001212799123 984164794 /nfs/dbraw/zinc/16/47/94/984164794.db2.gz KDOVPGXYQBXOEJ-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM Cc1ccc(-c2noc(-c3c[n-]nn3)n2)c(C)c1 ZINC001212799123 984164809 /nfs/dbraw/zinc/16/48/09/984164809.db2.gz KDOVPGXYQBXOEJ-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM [S-]c1cccc(-c2ncc3c(n2)CNCC3)c1 ZINC001242865598 984209556 /nfs/dbraw/zinc/20/95/56/984209556.db2.gz JIFMKACSTMXMIY-UHFFFAOYSA-N -1 3 243.335 2.078 20 0 BEADHM Fc1cc(-c2nnn[n-]2)cc(-c2nccs2)c1 ZINC001242897712 984258995 /nfs/dbraw/zinc/25/89/95/984258995.db2.gz IDQSHLXHDVSWME-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM Fc1cc(-c2nn[n-]n2)cc(-c2nccs2)c1 ZINC001242897712 984259008 /nfs/dbraw/zinc/25/90/08/984259008.db2.gz IDQSHLXHDVSWME-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM Cc1ccc(-c2ccc(F)c([O-])c2)nc1N ZINC001243046696 984389245 /nfs/dbraw/zinc/38/92/45/984389245.db2.gz FVALKATUFQMDCA-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM [O-]c1cc(-c2c[nH]cc3ncnc2-3)ccc1F ZINC001243048563 984394226 /nfs/dbraw/zinc/39/42/26/984394226.db2.gz KQOXMXNRPRBBJE-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM Cc1ccnnc1-c1ccc(F)c([O-])c1 ZINC001243048866 984394926 /nfs/dbraw/zinc/39/49/26/984394926.db2.gz PGQTUCXAXOPYOS-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM CCn1ccc(-c2ccc(F)c([O-])c2)cc1=O ZINC001243048338 984396332 /nfs/dbraw/zinc/39/63/32/984396332.db2.gz XCCUWVOYQKGTMH-UHFFFAOYSA-N -1 3 233.242 2.380 20 0 BEADHM Cc1cc(-c2ccc(F)c([O-])c2)ncn1 ZINC001243047916 984397888 /nfs/dbraw/zinc/39/78/88/984397888.db2.gz HDNPQDMPGGFMFB-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Nc1cc(-c2ccc(F)c([O-])c2)ccn1 ZINC001243049721 984399593 /nfs/dbraw/zinc/39/95/93/984399593.db2.gz SXCJFBBOMXMJHM-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM Cc1ncc(-c2ccc(F)c([O-])c2)cc1C(N)=O ZINC001243051699 984414531 /nfs/dbraw/zinc/41/45/31/984414531.db2.gz SLGVOUHWOAGVEX-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM CCOc1nccc(-c2ccc(F)c([O-])c2)n1 ZINC001243053942 984423718 /nfs/dbraw/zinc/42/37/18/984423718.db2.gz IXWZMKXFWDPOFI-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM Cc1cc(-c2ccc(F)c([O-])c2)cn(C)c1=O ZINC001243060920 984437491 /nfs/dbraw/zinc/43/74/91/984437491.db2.gz ATFGCGIOXYGMRE-UHFFFAOYSA-N -1 3 233.242 2.205 20 0 BEADHM COC(=O)c1cnccc1-c1ccc(F)c([O-])c1 ZINC001243061518 984441689 /nfs/dbraw/zinc/44/16/89/984441689.db2.gz HDLLAGXTMMKEPB-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM Cc1cc(C(=O)[O-])cc(-c2ccnc(CN)c2)c1 ZINC001243178933 984639325 /nfs/dbraw/zinc/63/93/25/984639325.db2.gz TYNPNZMJZZVLOI-UHFFFAOYSA-N -1 3 242.278 2.214 20 0 BEADHM C/C(=C/CN1CCC[C@@H]1c1cccnc1)C(=O)[O-] ZINC001588959944 984729456 /nfs/dbraw/zinc/72/94/56/984729456.db2.gz VHQGFSXXCHBICF-TUOYRWMMSA-N -1 3 246.310 2.249 20 0 BEADHM C[C@@H]1C[C@@H]1c1nnc(-c2ccc(F)c(=O)[n-]2)o1 ZINC001256726130 984801337 /nfs/dbraw/zinc/80/13/37/984801337.db2.gz IKYPZKJSAIXNMU-RITPCOANSA-N -1 3 235.218 2.100 20 0 BEADHM [O-]c1cccc(-c2cnc3[nH]ccc3n2)c1F ZINC001243543103 985067640 /nfs/dbraw/zinc/06/76/40/985067640.db2.gz NURQWEMVTRVXHT-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM Cc1cncnc1-c1cccc([O-])c1F ZINC001243540918 985069901 /nfs/dbraw/zinc/06/99/01/985069901.db2.gz FWCALVQYZGWHSE-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Cc1nc(-c2cccc([O-])c2F)cc(N(C)C)n1 ZINC001243543772 985071890 /nfs/dbraw/zinc/07/18/90/985071890.db2.gz PUNUJXVHJDLJLK-UHFFFAOYSA-N -1 3 247.273 2.363 20 0 BEADHM Cn1cnc2ccc(-c3cccc([O-])c3F)nc21 ZINC001243541103 985072720 /nfs/dbraw/zinc/07/27/20/985072720.db2.gz DLFQBWHQJPZBLO-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM CC(C)n1cc(-c2cccc([O-])c2F)cnc1=O ZINC001243545435 985082377 /nfs/dbraw/zinc/08/23/77/985082377.db2.gz KQZZLGBFDQTWPQ-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM Nc1cncc(-c2cccc([O-])c2F)c1 ZINC001243545243 985083606 /nfs/dbraw/zinc/08/36/06/985083606.db2.gz ZJXQMKLJGNIOEN-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM O=C1Cc2c(cncc2-c2cccc([O-])c2F)N1 ZINC001243545297 985084106 /nfs/dbraw/zinc/08/41/06/985084106.db2.gz CLJZROAYMVWAPO-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM NC(=S)c1ccnc(-c2cccc([O-])c2F)c1 ZINC001243544848 985085959 /nfs/dbraw/zinc/08/59/59/985085959.db2.gz WBSTUKKRUNOVGR-UHFFFAOYSA-N -1 3 248.282 2.228 20 0 BEADHM O=C1Cc2cc(-c3cccc([O-])c3F)ncc2N1 ZINC001243544791 985086242 /nfs/dbraw/zinc/08/62/42/985086242.db2.gz YNYUIBDYVKXUOV-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM O=C1Cc2c(nccc2-c2cccc([O-])c2F)N1 ZINC001243546360 985093746 /nfs/dbraw/zinc/09/37/46/985093746.db2.gz GBGCHHLTEZBWDU-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM CCn1cccc(-c2cccc([O-])c2F)c1=O ZINC001243547942 985097363 /nfs/dbraw/zinc/09/73/63/985097363.db2.gz WPBWKKHRGKAQMM-UHFFFAOYSA-N -1 3 233.242 2.380 20 0 BEADHM CCCO[N-]C(=O)CCc1ccccc1C ZINC000686763941 985210139 /nfs/dbraw/zinc/21/01/39/985210139.db2.gz VIUCVSXIQRXLLI-UHFFFAOYSA-N -1 3 221.300 2.385 20 0 BEADHM [O-]c1cccc(Cl)c1-c1cc2c(nn1)CNC2 ZINC001244037313 985773727 /nfs/dbraw/zinc/77/37/27/985773727.db2.gz SLOZSQNAHFHCIE-UHFFFAOYSA-N -1 3 247.685 2.106 20 0 BEADHM [O-]c1cccc(Cl)c1-c1cncn2cnnc12 ZINC001244046843 985783945 /nfs/dbraw/zinc/78/39/45/985783945.db2.gz CYJSYGNFUQCCOZ-UHFFFAOYSA-N -1 3 246.657 2.150 20 0 BEADHM Cc1[nH]c(CN2CCC3(CCC3)C2)cc1C(=O)[O-] ZINC001599964362 985869669 /nfs/dbraw/zinc/86/96/69/985869669.db2.gz YSCLTPHZNUWRFC-UHFFFAOYSA-N -1 3 248.326 2.397 20 0 BEADHM [O-]c1cc(Cl)ccc1-c1cc2c(nn1)CNC2 ZINC001244466817 986124223 /nfs/dbraw/zinc/12/42/23/986124223.db2.gz NYFGZTAKOFRLOZ-UHFFFAOYSA-N -1 3 247.685 2.106 20 0 BEADHM NC(=O)c1cc(-c2ccc(Cl)cc2[O-])ccn1 ZINC001244469253 986138409 /nfs/dbraw/zinc/13/84/09/986138409.db2.gz DDARMRMDFIQALA-UHFFFAOYSA-N -1 3 248.669 2.207 20 0 BEADHM COCc1cnc(-c2cc(C)c(F)c([O-])c2)nc1 ZINC001244506314 986204029 /nfs/dbraw/zinc/20/40/29/986204029.db2.gz MBHWFDMPCLYLIO-UHFFFAOYSA-N -1 3 248.257 2.443 20 0 BEADHM Cc1cc(-c2nccnc2N(C)C)cc([O-])c1F ZINC001244505475 986206787 /nfs/dbraw/zinc/20/67/87/986206787.db2.gz FWUYQQOKJXFIPE-UHFFFAOYSA-N -1 3 247.273 2.363 20 0 BEADHM Cc1cc(-c2ncc3c(n2)COC3)cc([O-])c1F ZINC001244506617 986209359 /nfs/dbraw/zinc/20/93/59/986209359.db2.gz HRLZKPATCAFNBT-UHFFFAOYSA-N -1 3 246.241 2.327 20 0 BEADHM Cc1cc(-c2ccnc(N)c2)cc([O-])c1F ZINC001244516205 986222434 /nfs/dbraw/zinc/22/24/34/986222434.db2.gz PHMVYINQEYPIEY-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM CCn1cc(-c2cc(C)c(F)c([O-])c2)ncc1=O ZINC001244525307 986227826 /nfs/dbraw/zinc/22/78/26/986227826.db2.gz OVMBZYFSEKSJGV-UHFFFAOYSA-N -1 3 248.257 2.083 20 0 BEADHM Cc1cc(-c2cnc(N)nc2)cc(Cl)c1[O-] ZINC001244548213 986237588 /nfs/dbraw/zinc/23/75/88/986237588.db2.gz XXZPMQZITQTFBZ-UHFFFAOYSA-N -1 3 235.674 2.393 20 0 BEADHM CCc1cc(-c2ccc(=S)[n-]n2)ccc1CO ZINC001244628529 986295358 /nfs/dbraw/zinc/29/53/58/986295358.db2.gz MMXZUMYODNZGME-UHFFFAOYSA-N -1 3 246.335 2.487 20 0 BEADHM CCCNC(=S)Nc1ncc([O-])cc1Cl ZINC001244855671 986396924 /nfs/dbraw/zinc/39/69/24/986396924.db2.gz YZAMRIMFOBMRJG-UHFFFAOYSA-N -1 3 245.735 2.137 20 0 BEADHM O=C([O-])c1sccc1CN1CCC(F)CC1 ZINC000689452869 986617942 /nfs/dbraw/zinc/61/79/42/986617942.db2.gz OLBKXCBBVWRVGL-UHFFFAOYSA-N -1 3 243.303 2.380 20 0 BEADHM Nc1nccc(-c2ccc([O-])cc2Cl)n1 ZINC001245078555 986639375 /nfs/dbraw/zinc/63/93/75/986639375.db2.gz PQSPVFZWOZELPP-UHFFFAOYSA-N -1 3 221.647 2.085 20 0 BEADHM COc1ncnc(C)c1-c1c([O-])cccc1F ZINC001245654927 987009529 /nfs/dbraw/zinc/00/95/29/987009529.db2.gz HDEGOVJZORNNNC-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM [O-]c1cccc(F)c1-c1cc2nc[nH]c2cn1 ZINC001245652184 987017233 /nfs/dbraw/zinc/01/72/33/987017233.db2.gz SQPVTGICACXBGT-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM O=C1NCc2c1cccc2-c1c([O-])cccc1F ZINC001245655121 987030422 /nfs/dbraw/zinc/03/04/22/987030422.db2.gz VMHKSSQDKGNRDA-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM CCn1cc(-c2c([O-])cccc2F)ccc1=O ZINC001245656520 987037188 /nfs/dbraw/zinc/03/71/88/987037188.db2.gz SMNLIPQMZOJSQK-UHFFFAOYSA-N -1 3 233.242 2.380 20 0 BEADHM CC(C)n1ncc(-c2c([O-])cccc2F)cc1=O ZINC001245656632 987041369 /nfs/dbraw/zinc/04/13/69/987041369.db2.gz YGLWGVKOHPFQKP-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM [O-]c1cccc(F)c1-c1ccn2cnnc2c1 ZINC001245656253 987042218 /nfs/dbraw/zinc/04/22/18/987042218.db2.gz YPCFALYUMXKKNP-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM [O-]c1cccc(F)c1-c1ccc2ncnn2c1F ZINC001245657874 987044833 /nfs/dbraw/zinc/04/48/33/987044833.db2.gz UDDCXUBICVHAIY-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM COc1cc(O)ccc1C=Cc1nccc(=O)[n-]1 ZINC001116290549 987507678 /nfs/dbraw/zinc/50/76/78/987507678.db2.gz JNTSAZPXIXJFER-HYXAFXHYSA-N -1 3 244.250 2.067 20 0 BEADHM O=C(CC1CC(F)(F)C1)[N-]OC1CCC1 ZINC001117804349 987929164 /nfs/dbraw/zinc/92/91/64/987929164.db2.gz NCCQVBISMWRSOU-UHFFFAOYSA-N -1 3 219.231 2.022 20 0 BEADHM CC(=O)c1ccc(CC(=O)[N-]OC2CCC2)cc1 ZINC001117845582 987947698 /nfs/dbraw/zinc/94/76/98/987947698.db2.gz RFDJWNWUQGSJTJ-UHFFFAOYSA-N -1 3 247.294 2.032 20 0 BEADHM CC1(C)C[C@@H](OC(=O)c2cc3occc3[n-]2)CO1 ZINC001118458809 988361805 /nfs/dbraw/zinc/36/18/05/988361805.db2.gz LYNLVESDJITLLJ-MRVPVSSYSA-N -1 3 249.266 2.485 20 0 BEADHM CS[C@@H](C)CCC(=O)[N-]OC(C)(C)C ZINC001324858810 989004673 /nfs/dbraw/zinc/00/46/73/989004673.db2.gz XDZUZSYFLUWTQL-QMMMGPOBSA-N -1 3 219.350 2.364 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](C3CC3)C2)n1 ZINC001515767379 989110812 /nfs/dbraw/zinc/11/08/12/989110812.db2.gz GRNOPWIAULKZBL-LLVKDONJSA-N -1 3 233.315 2.117 20 0 BEADHM C[C@H]1CCC[C@]1(C)C(=O)[N-]OCC1CC1 ZINC001326544593 989601476 /nfs/dbraw/zinc/60/14/76/989601476.db2.gz MDLKTBHQDJPQSP-CABZTGNLSA-N -1 3 211.305 2.271 20 0 BEADHM O=C(/C=C\c1nccs1)[N-]OC1CCCC1 ZINC001521189464 989651131 /nfs/dbraw/zinc/65/11/31/989651131.db2.gz PWYPXKFUHZLPJZ-WAYWQWQTSA-N -1 3 238.312 2.147 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@]2(C)CCCS2)n1 ZINC001120906641 989958440 /nfs/dbraw/zinc/95/84/40/989958440.db2.gz SGOXJJZRFRYWOX-NSHDSACASA-N -1 3 239.344 2.188 20 0 BEADHM O=C(Nc1n[n-]c(-c2ccco2)n1)C1=CCCC1 ZINC001121144380 990025272 /nfs/dbraw/zinc/02/52/72/990025272.db2.gz INXPPMIVTYYXIY-UHFFFAOYSA-N -1 3 244.254 2.114 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@@H]1F ZINC001528046254 990265779 /nfs/dbraw/zinc/26/57/79/990265779.db2.gz JCAKVZHFWMWDMH-RQJHMYQMSA-N -1 3 229.638 2.342 20 0 BEADHM CCO/C=C\C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001556853765 990860046 /nfs/dbraw/zinc/86/00/46/990860046.db2.gz SJVCYUMTMXTZGI-FPLPWBNLSA-N -1 3 249.266 2.084 20 0 BEADHM C/C(=C\c1ccco1)C(=O)Nc1ncccc1[O-] ZINC001138165179 990893522 /nfs/dbraw/zinc/89/35/22/990893522.db2.gz MBJZXQDPEKDKFM-CMDGGOBGSA-N -1 3 244.250 2.422 20 0 BEADHM [O-]c1cccnc1CN1CCCC[C@H](F)C1 ZINC001138391736 990932163 /nfs/dbraw/zinc/93/21/63/990932163.db2.gz VHEMTXZUFMRBLZ-JTQLQIEISA-N -1 3 224.279 2.111 20 0 BEADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c([O-])c1 ZINC001558418527 990942887 /nfs/dbraw/zinc/94/28/87/990942887.db2.gz GWKKUGVZNMMWAO-FOUMNBMASA-N -1 3 245.322 2.475 20 0 BEADHM CC(C)OCCO[N-]C(=O)[C@@]1(C)CCC[C@@H]1C ZINC000833134785 991236811 /nfs/dbraw/zinc/23/68/11/991236811.db2.gz VQQTUVOQPYXAON-AAEUAGOBSA-N -1 3 243.347 2.286 20 0 BEADHM CCCC1CCC(Nc2cnc(C)[n-]c2=O)CC1 ZINC001258531074 991478286 /nfs/dbraw/zinc/47/82/86/991478286.db2.gz VBUXMXVHAJHLCA-BPCQOVAHSA-N -1 3 249.358 2.333 20 0 BEADHM CCCC[C@@H](CCC)Nc1cnc(C)[n-]c1=O ZINC001258758535 991706380 /nfs/dbraw/zinc/70/63/80/991706380.db2.gz FVLZTOWLKCWDLF-NEPJUHHUSA-N -1 3 237.347 2.333 20 0 BEADHM CC[C@H](C)S(=O)(=O)[N-]c1ccccc1OC ZINC001260723741 992129356 /nfs/dbraw/zinc/12/93/56/992129356.db2.gz QVSHWTPFTLKBRL-VIFPVBQESA-N -1 3 243.328 2.235 20 0 BEADHM C[C@H](CC(=O)[O-])NCc1ccc(F)c(F)c1F ZINC001261647202 992443344 /nfs/dbraw/zinc/44/33/44/992443344.db2.gz MKGGLCQJGJQBPS-ZCFIWIBFSA-N -1 3 247.216 2.057 20 0 BEADHM CCN(OC)C(=O)c1ccc(C)c(C)c1[O-] ZINC001263937477 993610715 /nfs/dbraw/zinc/61/07/15/993610715.db2.gz FHSVCBKBFACBEV-UHFFFAOYSA-N -1 3 223.272 2.033 20 0 BEADHM CC1(C)C[C@]1(C)CNC(=O)c1c([O-])cccc1O ZINC000702369256 993996091 /nfs/dbraw/zinc/99/60/91/993996091.db2.gz AEWWUYZBKUSXGA-CQSZACIVSA-N -1 3 249.310 2.264 20 0 BEADHM O=C([O-])c1cc(CN2CC(C3CC3)C2)cs1 ZINC001608841563 1170204246 /nfs/dbraw/zinc/20/42/46/1170204246.db2.gz YUQLYXCPIAUWSB-UHFFFAOYSA-N -1 3 237.324 2.288 20 0 BEADHM O=C([O-])c1ccc(CNCCC(F)F)c(F)c1 ZINC001608886494 1170207093 /nfs/dbraw/zinc/20/70/93/1170207093.db2.gz GUKGCLCPHHMSEQ-UHFFFAOYSA-N -1 3 247.216 2.269 20 0 BEADHM CC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001609186564 1170236809 /nfs/dbraw/zinc/23/68/09/1170236809.db2.gz CSZJQZSZGWBMCP-ZETCQYMHSA-N -1 3 235.266 2.216 20 0 BEADHM CC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001609186564 1170236811 /nfs/dbraw/zinc/23/68/11/1170236811.db2.gz CSZJQZSZGWBMCP-ZETCQYMHSA-N -1 3 235.266 2.216 20 0 BEADHM Cc1ccccc1[C@H](N[C@@H](C)CF)C(=O)[O-] ZINC001610528806 1170381911 /nfs/dbraw/zinc/38/19/11/1170381911.db2.gz CUAKFVIXSTUYJU-ONGXEEELSA-N -1 3 225.263 2.068 20 0 BEADHM Cc1ocnc1C(=O)[N-]c1nocc1C1CC1 ZINC001610989441 1170424661 /nfs/dbraw/zinc/42/46/61/1170424661.db2.gz ISHCUWCNSSNGOX-UHFFFAOYSA-N -1 3 233.227 2.101 20 0 BEADHM Cc1cc(=O)[n-]c(CN2CC(C)(C)C2(C)C)n1 ZINC001615772188 1170531093 /nfs/dbraw/zinc/53/10/93/1170531093.db2.gz FITSMCBCHFIAJZ-UHFFFAOYSA-N -1 3 235.331 2.111 20 0 BEADHM C[C@H](Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000037102168 1170929529 /nfs/dbraw/zinc/92/95/29/1170929529.db2.gz SSFCOMXYDXKLEQ-QMMMGPOBSA-N -1 3 229.287 2.077 20 0 BEADHM C[C@H](Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000037102168 1170929534 /nfs/dbraw/zinc/92/95/34/1170929534.db2.gz SSFCOMXYDXKLEQ-QMMMGPOBSA-N -1 3 229.287 2.077 20 0 BEADHM CC(C)[C@H](C)Nc1cccc(-c2nnn[n-]2)c1 ZINC000037102148 1170931008 /nfs/dbraw/zinc/93/10/08/1170931008.db2.gz LKSKGUZHJZTEKI-VIFPVBQESA-N -1 3 231.303 2.323 20 0 BEADHM CC(C)[C@H](C)Nc1cccc(-c2nn[n-]n2)c1 ZINC000037102148 1170931011 /nfs/dbraw/zinc/93/10/11/1170931011.db2.gz LKSKGUZHJZTEKI-VIFPVBQESA-N -1 3 231.303 2.323 20 0 BEADHM Cc1cccc([O-])c1C(=O)N(C)c1nccs1 ZINC001632707339 1171529256 /nfs/dbraw/zinc/52/92/56/1171529256.db2.gz DXYOSTMOTNVQSP-UHFFFAOYSA-N -1 3 248.307 2.434 20 0 BEADHM CC[C@@H](C)CON=C([O-])Nc1cc(C)ccn1 ZINC000296864681 398141472 /nfs/dbraw/zinc/14/14/72/398141472.db2.gz PGKCBFDVXAQAGB-SECBINFHSA-N -1 3 237.303 2.489 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(C)ccn1 ZINC000296864681 398141474 /nfs/dbraw/zinc/14/14/74/398141474.db2.gz PGKCBFDVXAQAGB-SECBINFHSA-N -1 3 237.303 2.489 20 0 BEADHM C[C@]1(C(=O)[O-])CCN(Cc2ccccc2F)C1 ZINC000062936332 349502586 /nfs/dbraw/zinc/50/25/86/349502586.db2.gz CPRUXKZCCNVTQK-ZDUSSCGKSA-N -1 3 237.274 2.122 20 0 BEADHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccc(O)cc1[O-] ZINC000399522572 398169421 /nfs/dbraw/zinc/16/94/21/398169421.db2.gz CZPMLIHKOJKPSV-KXUCPTDWSA-N -1 3 249.310 2.214 20 0 BEADHM Cc1cc(N2CC(C(=O)[O-])C2)c2ccccc2n1 ZINC000071173447 178111645 /nfs/dbraw/zinc/11/16/45/178111645.db2.gz JYHVWRYTBQVCLE-UHFFFAOYSA-N -1 3 242.278 2.064 20 0 BEADHM Cc1ccccc1NC(=O)Cc1cncc([O-])c1 ZINC000572861320 398202915 /nfs/dbraw/zinc/20/29/15/398202915.db2.gz LOBBIROQRFBFIJ-UHFFFAOYSA-N -1 3 242.278 2.277 20 0 BEADHM Cc1cccc(C(=O)N2CC=CCC2)c1[O-] ZINC000163160589 538926779 /nfs/dbraw/zinc/92/67/79/538926779.db2.gz AZXFBOGPSIUBGO-UHFFFAOYSA-N -1 3 217.268 2.103 20 0 BEADHM CC[C@@H](C)CC(=O)[N-]OC/C=C/Cl ZINC000291911559 398205826 /nfs/dbraw/zinc/20/58/26/398205826.db2.gz STBDGSLGDCQIKK-WTSVBCDHSA-N -1 3 205.685 2.223 20 0 BEADHM Cc1cc(C)c(C(=O)[N-]c2nncs2)o1 ZINC000175430647 365553611 /nfs/dbraw/zinc/55/36/11/365553611.db2.gz JFOVEZZZCNCSNC-UHFFFAOYSA-N -1 3 223.257 2.000 20 0 BEADHM Cc1cc(NCc2ccc([O-])c(F)c2)ncn1 ZINC000301371957 178173138 /nfs/dbraw/zinc/17/31/38/178173138.db2.gz QNFLKPVCCKUKDL-UHFFFAOYSA-N -1 3 233.246 2.242 20 0 BEADHM Cc1ccc(-c2nc(N(C)C)no2)c([O-])c1C ZINC000273367067 178336013 /nfs/dbraw/zinc/33/60/13/178336013.db2.gz BXIWYFBOSUXEES-UHFFFAOYSA-N -1 3 233.271 2.125 20 0 BEADHM COCC(C)(C)C(=O)Nc1cccc([O-])c1F ZINC000129624931 323008942 /nfs/dbraw/zinc/00/89/42/323008942.db2.gz TVQXFQCUVSZFQN-UHFFFAOYSA-N -1 3 241.262 2.142 20 0 BEADHM CCC[C@@]1(NC(=O)c2ccccc2[O-])CCOC1 ZINC000378797077 346835963 /nfs/dbraw/zinc/83/59/63/346835963.db2.gz SLUYNPBVFCVDHM-CQSZACIVSA-N -1 3 249.310 2.081 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@H]1C ZINC000179555391 538955309 /nfs/dbraw/zinc/95/53/09/538955309.db2.gz JFPBNBSXZIKDPM-RKDXNWHRSA-N -1 3 205.257 2.295 20 0 BEADHM C[C@@H](CC1CCC1)NC(=O)Cc1cncc([O-])c1 ZINC000634371792 361836788 /nfs/dbraw/zinc/83/67/88/361836788.db2.gz ZNNLCIPHOAJFHA-JTQLQIEISA-N -1 3 248.326 2.025 20 0 BEADHM Cc1ccn(C)c1C(=O)Nc1ccccc1[O-] ZINC000189085860 346857397 /nfs/dbraw/zinc/85/73/97/346857397.db2.gz RVCBUPWAUHMHCX-UHFFFAOYSA-N -1 3 230.267 2.291 20 0 BEADHM C[C@@H]1CN(c2ccncc2C(=O)[O-])[C@@H](C)[C@H]1C ZINC000399708305 342740925 /nfs/dbraw/zinc/74/09/25/342740925.db2.gz XYAFRGCEKQOLFT-UTLUCORTSA-N -1 3 234.299 2.261 20 0 BEADHM Cc1nccc(C(=O)Nc2c(C)cccc2[O-])n1 ZINC000183052694 538965078 /nfs/dbraw/zinc/96/50/78/538965078.db2.gz FQRWJXFLURXTLA-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM O=C([O-])[C@H]1CCCN1Cc1cccc(Cl)c1 ZINC000008699069 342802314 /nfs/dbraw/zinc/80/23/14/342802314.db2.gz ZYBCTKJORPOWEA-LLVKDONJSA-N -1 3 239.702 2.389 20 0 BEADHM CCCCOCC[S@@](=O)c1ccc([O-])cc1 ZINC000108085048 342791996 /nfs/dbraw/zinc/79/19/96/342791996.db2.gz VGUYSRLELQZIQI-INIZCTEOSA-N -1 3 242.340 2.317 20 0 BEADHM C[C@H](C(=O)[O-])N(C)Cc1ccccc1Cl ZINC000032015454 342797196 /nfs/dbraw/zinc/79/71/96/342797196.db2.gz ZONLBTCOTGZXQO-MRVPVSSYSA-N -1 3 227.691 2.245 20 0 BEADHM O=C([O-])CCN1CC[C@@H]1c1cccc(F)c1 ZINC000381529011 539003066 /nfs/dbraw/zinc/00/30/66/539003066.db2.gz YCYHTKWULJSATC-LLVKDONJSA-N -1 3 223.247 2.047 20 0 BEADHM Cc1c(C(=O)Nc2ccccc2[O-])ccn1C ZINC000195135243 539009499 /nfs/dbraw/zinc/00/94/99/539009499.db2.gz YBROSXMUFLRCMW-UHFFFAOYSA-N -1 3 230.267 2.291 20 0 BEADHM O=C(N[C@H]1CCC(F)(F)C1)c1ccccc1[O-] ZINC000384066915 539012384 /nfs/dbraw/zinc/01/23/84/539012384.db2.gz UNRZOBULHZKMGJ-QMMMGPOBSA-N -1 3 241.237 2.310 20 0 BEADHM O=C([O-])CN(Cc1ccccc1F)CC1CC1 ZINC000036885990 398296227 /nfs/dbraw/zinc/29/62/27/398296227.db2.gz HJIJLAORFCDOSR-UHFFFAOYSA-N -1 3 237.274 2.122 20 0 BEADHM Cc1conc1[N-]C(=O)c1coc(C2CCC2)n1 ZINC000192800699 538997768 /nfs/dbraw/zinc/99/77/68/538997768.db2.gz FKPIMPFQBRDMRN-UHFFFAOYSA-N -1 3 247.254 2.491 20 0 BEADHM CCCCC[N-]S(=O)(=O)c1ccccc1F ZINC000035085253 342882200 /nfs/dbraw/zinc/88/22/00/342882200.db2.gz USPBYINYORBOTQ-UHFFFAOYSA-N -1 3 245.319 2.294 20 0 BEADHM CC/C=C(/C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000102889529 398321004 /nfs/dbraw/zinc/32/10/04/398321004.db2.gz LAWZGEUMNJZMAV-PLNGDYQASA-N -1 3 248.208 2.118 20 0 BEADHM CCC=C(C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000102889529 398321005 /nfs/dbraw/zinc/32/10/05/398321005.db2.gz LAWZGEUMNJZMAV-PLNGDYQASA-N -1 3 248.208 2.118 20 0 BEADHM CN(Cc1occc1C(=O)[O-])C1CCCC1 ZINC000035433029 342889491 /nfs/dbraw/zinc/88/94/91/342889491.db2.gz JSCATUBBIGEMMW-UHFFFAOYSA-N -1 3 223.272 2.352 20 0 BEADHM Cc1ccc(F)c(CN(C)CCC(=O)[O-])c1 ZINC000234291115 342918410 /nfs/dbraw/zinc/91/84/10/342918410.db2.gz UJJRWKGUEFEHSD-UHFFFAOYSA-N -1 3 225.263 2.041 20 0 BEADHM C[C@@H](CC(=O)[O-])N(C)Cc1ccc(F)cc1F ZINC000260142372 349648474 /nfs/dbraw/zinc/64/84/74/349648474.db2.gz QLTUZPBUMAUVII-QMMMGPOBSA-N -1 3 243.253 2.260 20 0 BEADHM O=c1c2ccc([O-])cc2cnn1C1CCCC1 ZINC000634588375 342933977 /nfs/dbraw/zinc/93/39/77/342933977.db2.gz QNAOBOCFAKZVRY-UHFFFAOYSA-N -1 3 230.267 2.217 20 0 BEADHM Cc1[n-]n(CC(C)(C)C)c(=O)c1C1CC1 ZINC000634588257 342934060 /nfs/dbraw/zinc/93/40/60/342934060.db2.gz NHLKFJCBBHLWBC-JTQLQIEISA-N -1 3 208.305 2.277 20 0 BEADHM C[C@@H]1CCc2[n-]n(CC(C)(C)C)c(=O)c21 ZINC000634588501 342934470 /nfs/dbraw/zinc/93/44/70/342934470.db2.gz VFYCSVKIXLELKO-PSASIEDQSA-N -1 3 208.305 2.277 20 0 BEADHM Cc1[n-]n([C@@H](C)C2CC2)c(=O)c1C1CC1 ZINC000634597424 342973650 /nfs/dbraw/zinc/97/36/50/342973650.db2.gz JVPJGXFMACEIKV-KWQFWETISA-N -1 3 206.289 2.029 20 0 BEADHM Cc1[n-]n([C@H](C)C2CC2)c(=O)c1C1CC1 ZINC000634597425 342973974 /nfs/dbraw/zinc/97/39/74/342973974.db2.gz JVPJGXFMACEIKV-LDYMZIIASA-N -1 3 206.289 2.029 20 0 BEADHM CCc1cc(C(=O)Nc2ccncc2)ccc1[O-] ZINC000335902593 136259539 /nfs/dbraw/zinc/25/95/39/136259539.db2.gz JRKMCAZQUCYHOK-UHFFFAOYSA-N -1 3 242.278 2.024 20 0 BEADHM CCc1ccc(/C=C/C(=O)[N-]OCC(F)F)o1 ZINC000492635372 529583469 /nfs/dbraw/zinc/58/34/69/529583469.db2.gz SGESJCZLDFFZGS-AATRIKPKSA-N -1 3 245.225 2.168 20 0 BEADHM C[C@H](c1ccncc1)n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634626321 343028296 /nfs/dbraw/zinc/02/82/96/343028296.db2.gz BNCSTSBAASLSLN-GIPNMCIBSA-N -1 3 243.310 2.387 20 0 BEADHM CCc1cc(C(=O)N(C)CC(F)F)ccc1[O-] ZINC000362756147 187219291 /nfs/dbraw/zinc/21/92/91/187219291.db2.gz MREODPUBRXNXTN-UHFFFAOYSA-N -1 3 243.253 2.292 20 0 BEADHM CC[C@H](C)n1ncc2ccc(OC)c(=O)c-2c1[O-] ZINC000634624019 343024595 /nfs/dbraw/zinc/02/45/95/343024595.db2.gz VVSZQXGHRCBKGK-QMMMGPOBSA-N -1 3 248.282 2.082 20 0 BEADHM CC[C@H](C)n1ncc2ccc(OC)c([O-])c2c1=O ZINC000634624019 343024597 /nfs/dbraw/zinc/02/45/97/343024597.db2.gz VVSZQXGHRCBKGK-QMMMGPOBSA-N -1 3 248.282 2.082 20 0 BEADHM CC[C@@H](C)n1ncc2cc([O-])ccc2c1=O ZINC000634623328 343026962 /nfs/dbraw/zinc/02/69/62/343026962.db2.gz CPSJUARMYDEHKH-MRVPVSSYSA-N -1 3 218.256 2.073 20 0 BEADHM C[C@@H](c1ccncc1)n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634626320 343028068 /nfs/dbraw/zinc/02/80/68/343028068.db2.gz BNCSTSBAASLSLN-GBIKHYSHSA-N -1 3 243.310 2.387 20 0 BEADHM CC(=O)CCCC(=O)Nc1ccc([O-])cc1F ZINC000119479624 187222793 /nfs/dbraw/zinc/22/27/93/187222793.db2.gz JCBUZNOWBFSSKE-UHFFFAOYSA-N -1 3 239.246 2.229 20 0 BEADHM Cc1[n-]n([C@H](C)c2ccncc2)c(=O)c1C1CC1 ZINC000634626829 343036521 /nfs/dbraw/zinc/03/65/21/343036521.db2.gz NDWOIRWFMXMIGQ-MFKMUULPSA-N -1 3 243.310 2.387 20 0 BEADHM CCCCCC(=O)Nc1ncccc1[O-] ZINC000022991059 343057413 /nfs/dbraw/zinc/05/74/13/343057413.db2.gz DSYAYRFYXNSTQL-UHFFFAOYSA-N -1 3 208.261 2.306 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)/C=C/c1ccn(C)c1 ZINC000492842515 529668968 /nfs/dbraw/zinc/66/89/68/529668968.db2.gz RZCFMNVUMYSEJL-QRGHLMKCSA-N -1 3 236.315 2.132 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)/C=C/c1cccnc1C ZINC000493415890 529669137 /nfs/dbraw/zinc/66/91/37/529669137.db2.gz GWPISIOSZAJKNG-AEZGRPFRSA-N -1 3 248.326 2.497 20 0 BEADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])cn2)C[C@@H]1C ZINC000130279273 343180684 /nfs/dbraw/zinc/18/06/84/343180684.db2.gz SHCJGORTJVWIHS-MNOVXSKESA-N -1 3 248.326 2.258 20 0 BEADHM CCCCN(CC)Cc1ccc(C(=O)[O-])cn1 ZINC000094762092 343157159 /nfs/dbraw/zinc/15/71/59/343157159.db2.gz YMJULYPHSKBAHF-UHFFFAOYSA-N -1 3 236.315 2.402 20 0 BEADHM CN(Cc1ccc(C(=O)[O-])cn1)C1CCCC1 ZINC000094762150 343157215 /nfs/dbraw/zinc/15/72/15/343157215.db2.gz RLIILPIBCHMUEX-UHFFFAOYSA-N -1 3 234.299 2.154 20 0 BEADHM CC[C@H]1CCCN(c2ccncc2C(=O)[O-])C1 ZINC000125968065 343168537 /nfs/dbraw/zinc/16/85/37/343168537.db2.gz WNCCVCOTKSMXTB-JTQLQIEISA-N -1 3 234.299 2.406 20 0 BEADHM CC[C@H]1CCN(c2ccncc2C(=O)[O-])C1 ZINC000166277304 343212816 /nfs/dbraw/zinc/21/28/16/343212816.db2.gz RRVXVMHCYISGEU-VIFPVBQESA-N -1 3 220.272 2.016 20 0 BEADHM CC[C@@H]1CCN(Cc2ccoc2C(=O)[O-])C1 ZINC000166409458 343213147 /nfs/dbraw/zinc/21/31/47/343213147.db2.gz KVSUJUCJOXPIIS-SECBINFHSA-N -1 3 223.272 2.210 20 0 BEADHM C[C@@H]1C[C@H](NCc2cccc(C(=O)[O-])c2)[C@@H](C)O1 ZINC000395018341 362154266 /nfs/dbraw/zinc/15/42/66/362154266.db2.gz XNFGTCBPQZTFBK-BREBYQMCSA-N -1 3 249.310 2.040 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@H](C)C2CC2)c1 ZINC000035141237 343286658 /nfs/dbraw/zinc/28/66/58/343286658.db2.gz LPSGFOARHSJZFY-SECBINFHSA-N -1 3 219.284 2.229 20 0 BEADHM CC(C)[C@H](C)N(C)Cc1cc(C(=O)[O-])co1 ZINC000051330407 343256313 /nfs/dbraw/zinc/25/63/13/343256313.db2.gz XAPSSVHCTZSQOK-VIFPVBQESA-N -1 3 225.288 2.454 20 0 BEADHM CCC[C@H](NCc1cccc(F)c1F)C(=O)[O-] ZINC000036889041 343326209 /nfs/dbraw/zinc/32/62/09/343326209.db2.gz YDUIITVCCIHICB-JTQLQIEISA-N -1 3 243.253 2.308 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)C2=CC[C@@H](C)CC2)c1C ZINC000335634684 136300523 /nfs/dbraw/zinc/30/05/23/136300523.db2.gz HDVLHAMKQNVESI-SECBINFHSA-N -1 3 247.342 2.387 20 0 BEADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1csc(=O)[n-]1 ZINC000335667120 136311501 /nfs/dbraw/zinc/31/15/01/136311501.db2.gz PCSUNFJQHIAEHK-HTQZYQBOSA-N -1 3 240.328 2.252 20 0 BEADHM COC[C@H](C)NCc1cc([O-])ccc1Cl ZINC000625401452 343413597 /nfs/dbraw/zinc/41/35/97/343413597.db2.gz SRSXDDUNTJVFNZ-QMMMGPOBSA-N -1 3 229.707 2.170 20 0 BEADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CC23CC3)c1 ZINC000616413045 343426869 /nfs/dbraw/zinc/42/68/69/343426869.db2.gz PASRVYGPLYJVBK-LLVKDONJSA-N -1 3 249.335 2.396 20 0 BEADHM Cc1ccccc1C(=O)NCc1ncccc1[O-] ZINC000335682910 136329174 /nfs/dbraw/zinc/32/91/74/136329174.db2.gz CPTIOCYTCSBGBG-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM CN(C(=O)c1ccc2[nH][n-]c(=O)c2c1)C(C)(C)C ZINC000616490182 343474146 /nfs/dbraw/zinc/47/41/46/343474146.db2.gz NYTCCWBAWPPZTH-UHFFFAOYSA-N -1 3 247.298 2.139 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC[C@H]2C[C@H]2C)c1 ZINC000043115456 343463596 /nfs/dbraw/zinc/46/35/96/343463596.db2.gz ZBWSMDYELUYMRK-NXEZZACHSA-N -1 3 219.284 2.086 20 0 BEADHM CO[N-]C(=O)CCCc1ccc(Cl)cc1 ZINC000045013891 343521142 /nfs/dbraw/zinc/52/11/42/343521142.db2.gz IJKBRCIJNSYHIK-UHFFFAOYSA-N -1 3 227.691 2.340 20 0 BEADHM C[C@H](CC1CCC1)NC(=O)c1c([O-])cccc1O ZINC000641161470 362246547 /nfs/dbraw/zinc/24/65/47/362246547.db2.gz BULKRBXBTGUFAU-SECBINFHSA-N -1 3 249.310 2.406 20 0 BEADHM O=C(NCC1=CCCC1)c1cccc([O-])c1 ZINC000620000459 343544749 /nfs/dbraw/zinc/54/47/49/343544749.db2.gz PYOPVZYGUHXYGT-UHFFFAOYSA-N -1 3 217.268 2.232 20 0 BEADHM CC(C)[C@H](NC(=O)c1csc(=O)[n-]1)C1CC1 ZINC000620041172 343591709 /nfs/dbraw/zinc/59/17/09/343591709.db2.gz IEFREZNSVYGRJE-VIFPVBQESA-N -1 3 240.328 2.013 20 0 BEADHM C[C@H](NC(=O)c1ccccc1[O-])c1cscn1 ZINC000622748355 343608362 /nfs/dbraw/zinc/60/83/62/343608362.db2.gz AGOSKMNRBOLIQE-QMMMGPOBSA-N -1 3 248.307 2.340 20 0 BEADHM COc1ccc(C[N-]C(=O)C(C)(F)F)cc1F ZINC000288713047 187346879 /nfs/dbraw/zinc/34/68/79/187346879.db2.gz ZLNJQISZCAGMQO-UHFFFAOYSA-N -1 3 247.216 2.106 20 0 BEADHM CN(Cc1cc([O-])ccc1Cl)C1(CO)CC1 ZINC000625426610 343727732 /nfs/dbraw/zinc/72/77/32/343727732.db2.gz VBQAZGXRARJMRJ-UHFFFAOYSA-N -1 3 241.718 2.002 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC000619357103 343931505 /nfs/dbraw/zinc/93/15/05/343931505.db2.gz FNFFLLKIZLLAPK-GHMZBOCLSA-N -1 3 231.295 2.183 20 0 BEADHM C[C@@H]1CCN1C(=O)c1cc([O-])ccc1Cl ZINC000641239598 362294507 /nfs/dbraw/zinc/29/45/07/362294507.db2.gz CTUBIQRPTKCCBV-SSDOTTSWSA-N -1 3 225.675 2.280 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2CC[C@H]2C)c1 ZINC000641243892 362318613 /nfs/dbraw/zinc/31/86/13/362318613.db2.gz RBSMMMIBGDPTNA-SECBINFHSA-N -1 3 219.284 2.189 20 0 BEADHM CC(C)SCC(=O)Nc1ccccc1[O-] ZINC000023129736 344118638 /nfs/dbraw/zinc/11/86/38/344118638.db2.gz MQLVPNOVQVJVMI-UHFFFAOYSA-N -1 3 225.313 2.472 20 0 BEADHM CC1(C)CC(NC(=O)c2cccc([O-])c2)C1 ZINC000395454195 344328339 /nfs/dbraw/zinc/32/83/39/344328339.db2.gz ZCRQGYSRMKUYJN-UHFFFAOYSA-N -1 3 219.284 2.311 20 0 BEADHM CC[C@@H](C(=O)[O-])N(C)Cc1ccccc1F ZINC000042436823 344452962 /nfs/dbraw/zinc/45/29/62/344452962.db2.gz DDUCVUBEJHBJLE-NSHDSACASA-N -1 3 225.263 2.121 20 0 BEADHM COc1cccc(C(=O)NC(C)(C)C2CC2)c1[O-] ZINC000227507662 344469414 /nfs/dbraw/zinc/46/94/14/344469414.db2.gz LCZXZDIZFRWZKZ-UHFFFAOYSA-N -1 3 249.310 2.319 20 0 BEADHM COCCC(=O)Nc1ccc([O-])cc1Cl ZINC000084844560 344478795 /nfs/dbraw/zinc/47/87/95/344478795.db2.gz ALHBEZBYCHUPPM-UHFFFAOYSA-N -1 3 229.663 2.021 20 0 BEADHM [O-]c1ccccc1Sc1cnccn1 ZINC000050047158 344620966 /nfs/dbraw/zinc/62/09/66/344620966.db2.gz LGEKMBTXKXODHV-UHFFFAOYSA-N -1 3 204.254 2.333 20 0 BEADHM O=C(NCC[C@H]1CC1(F)F)c1cccc([O-])c1 ZINC000623033241 347068716 /nfs/dbraw/zinc/06/87/16/347068716.db2.gz JPAIZRWOTKBVDP-VIFPVBQESA-N -1 3 241.237 2.167 20 0 BEADHM CSCCNC(=O)c1cc([O-])ccc1Cl ZINC000235038559 344748878 /nfs/dbraw/zinc/74/88/78/344748878.db2.gz KJFQDELAMTXIHO-UHFFFAOYSA-N -1 3 245.731 2.138 20 0 BEADHM CC(C)(C)C=Cc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351373279 344749964 /nfs/dbraw/zinc/74/99/64/344749964.db2.gz PVUOJGAFWUYZBM-SNAWJCMRSA-N -1 3 246.270 2.292 20 0 BEADHM Cc1ccc(CSCCc2nnn[n-]2)cc1C ZINC000603341182 349918777 /nfs/dbraw/zinc/91/87/77/349918777.db2.gz LPHYUMQLRMBHLH-UHFFFAOYSA-N -1 3 248.355 2.292 20 0 BEADHM Cc1ccc(CSCCc2nn[n-]n2)cc1C ZINC000603341182 349918781 /nfs/dbraw/zinc/91/87/81/349918781.db2.gz LPHYUMQLRMBHLH-UHFFFAOYSA-N -1 3 248.355 2.292 20 0 BEADHM [O-]c1coc2cc(OCC3CC3)ccc12 ZINC000062805272 347083283 /nfs/dbraw/zinc/08/32/83/347083283.db2.gz SCVANVCBDCRVJD-UHFFFAOYSA-N -1 3 204.225 2.051 20 0 BEADHM O=C([O-])CCCCNCc1c(F)cccc1F ZINC000635315716 345303013 /nfs/dbraw/zinc/30/30/13/345303013.db2.gz SHYDIADWGQBSPW-UHFFFAOYSA-N -1 3 243.253 2.309 20 0 BEADHM [O-]c1cc(F)cc(CNCc2ccco2)c1 ZINC000159582595 345442872 /nfs/dbraw/zinc/44/28/72/345442872.db2.gz XLSWZEFGYWAQTL-UHFFFAOYSA-N -1 3 221.231 2.414 20 0 BEADHM CCCCNC(=O)c1cccc(CC)c1[O-] ZINC000531354746 323088083 /nfs/dbraw/zinc/08/80/83/323088083.db2.gz PBTYGTSLTHKZKW-UHFFFAOYSA-N -1 3 221.300 2.485 20 0 BEADHM C[C@H](CSCCc1nnn[n-]1)c1ccccc1 ZINC000603339038 349929389 /nfs/dbraw/zinc/92/93/89/349929389.db2.gz MCXCSIUNYYIBMM-SNVBAGLBSA-N -1 3 248.355 2.279 20 0 BEADHM C[C@H](CSCCc1nn[n-]n1)c1ccccc1 ZINC000603339038 349929392 /nfs/dbraw/zinc/92/93/92/349929392.db2.gz MCXCSIUNYYIBMM-SNVBAGLBSA-N -1 3 248.355 2.279 20 0 BEADHM Cc1cccc(S(=O)(=O)[N-]C(C)(C)C)c1F ZINC000181171477 187309064 /nfs/dbraw/zinc/30/90/64/187309064.db2.gz SCIYEDVAFROFOL-UHFFFAOYSA-N -1 3 245.319 2.211 20 0 BEADHM CCc1cccc(C(=O)N[C@H](C)CC(C)=O)c1[O-] ZINC000093098096 345656866 /nfs/dbraw/zinc/65/68/66/345656866.db2.gz FUDFQWGEGXLWSE-SECBINFHSA-N -1 3 249.310 2.052 20 0 BEADHM COc1ccc(C(=O)N2CCC2(C)C)c([O-])c1 ZINC000094167489 345682294 /nfs/dbraw/zinc/68/22/94/345682294.db2.gz CXUAVESDDBALRU-UHFFFAOYSA-N -1 3 235.283 2.025 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2)n1 ZINC000034628090 345836422 /nfs/dbraw/zinc/83/64/22/345836422.db2.gz VZNUVALUIMQCKX-BQYQJAHWSA-N -1 3 212.252 2.249 20 0 BEADHM COc1cccc(C(=O)NCCCC2CC2)c1[O-] ZINC000128273577 345874905 /nfs/dbraw/zinc/87/49/05/345874905.db2.gz OOTWJTKFMGGSPX-UHFFFAOYSA-N -1 3 249.310 2.321 20 0 BEADHM CCc1cccc(C(=O)NC2CC=CC2)c1[O-] ZINC000151005405 537927042 /nfs/dbraw/zinc/92/70/42/537927042.db2.gz MLAUWUQUBABPFF-UHFFFAOYSA-N -1 3 231.295 2.403 20 0 BEADHM Cc1ccc([O-])c(C(=O)Nc2cncnc2C)c1 ZINC001639110699 1172071804 /nfs/dbraw/zinc/07/18/04/1172071804.db2.gz VBBXFLJRRZLAHD-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM CC(C)=C(C)CC(=O)Nc1ncccc1[O-] ZINC000635791536 346063422 /nfs/dbraw/zinc/06/34/22/346063422.db2.gz SNOGGJWVCAGSGY-UHFFFAOYSA-N -1 3 220.272 2.472 20 0 BEADHM CC1(C)C[C@H]1CNC(=O)c1cccc([O-])c1 ZINC000227614929 534918120 /nfs/dbraw/zinc/91/81/20/534918120.db2.gz MKMUOEWHYGBDJN-JTQLQIEISA-N -1 3 219.284 2.168 20 0 BEADHM Cc1cccc(C(=O)N(C)C2CCC2)c1[O-] ZINC000126339616 179004697 /nfs/dbraw/zinc/00/46/97/179004697.db2.gz JBNXBHSNLSAQCZ-UHFFFAOYSA-N -1 3 219.284 2.325 20 0 BEADHM C[C@@H](C1CC1)N(C)C(=O)c1ccccc1[O-] ZINC000035207549 346217100 /nfs/dbraw/zinc/21/71/00/346217100.db2.gz GFOHRVVUZWDJDM-VIFPVBQESA-N -1 3 219.284 2.263 20 0 BEADHM Cc1cccc(C(=O)N2CCC[C@@H]2C)c1[O-] ZINC000037912271 179008336 /nfs/dbraw/zinc/00/83/36/179008336.db2.gz IKBCVIXSRCMJSK-JTQLQIEISA-N -1 3 219.284 2.325 20 0 BEADHM Cc1cccc(C(=O)N2C[C@H](C)[C@H](C)C2)c1[O-] ZINC000091439031 179012677 /nfs/dbraw/zinc/01/26/77/179012677.db2.gz QTAZECCBAPRHNH-PHIMTYICSA-N -1 3 233.311 2.429 20 0 BEADHM Cc1n[nH]c(C)c1NC(=O)c1cccc(C)c1[O-] ZINC000036734058 179025168 /nfs/dbraw/zinc/02/51/68/179025168.db2.gz JMBYVTUBFOPQTP-UHFFFAOYSA-N -1 3 245.282 2.293 20 0 BEADHM CN(Cc1ncccc1[O-])[C@H]1CC1(C)C ZINC000580602753 365809589 /nfs/dbraw/zinc/80/95/89/365809589.db2.gz PMRRBJHPFDXMJK-NSHDSACASA-N -1 3 206.289 2.018 20 0 BEADHM CC[C@H](C)[C@@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000187473584 346578311 /nfs/dbraw/zinc/57/83/11/346578311.db2.gz BWELHIBMGJFADD-DTWKUNHWSA-N -1 3 246.314 2.122 20 0 BEADHM CC[C@H](C)[C@@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000187473584 346578315 /nfs/dbraw/zinc/57/83/15/346578315.db2.gz BWELHIBMGJFADD-DTWKUNHWSA-N -1 3 246.314 2.122 20 0 BEADHM CC[C@H](C)[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000187473584 346578318 /nfs/dbraw/zinc/57/83/18/346578318.db2.gz BWELHIBMGJFADD-DTWKUNHWSA-N -1 3 246.314 2.122 20 0 BEADHM Cc1cccc(NC([O-])=NOC(C)C)c1 ZINC000293575233 179134702 /nfs/dbraw/zinc/13/47/02/179134702.db2.gz AHBFBEOXHXLUEQ-UHFFFAOYSA-N -1 3 208.261 2.457 20 0 BEADHM Cc1cccc(NC(=O)[N-]OC(C)C)c1 ZINC000293575233 179134705 /nfs/dbraw/zinc/13/47/05/179134705.db2.gz AHBFBEOXHXLUEQ-UHFFFAOYSA-N -1 3 208.261 2.457 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@H]2CC[C@H](C)C2)c1C ZINC000336616840 187370533 /nfs/dbraw/zinc/37/05/33/187370533.db2.gz QIVKXGPAIIQMAC-WPRPVWTQSA-N -1 3 235.331 2.077 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCCOCC1 ZINC000336415694 179160259 /nfs/dbraw/zinc/16/02/59/179160259.db2.gz PQSVQKHKUKFQKB-NSHDSACASA-N -1 3 249.310 2.456 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCC[C@H](O)C1 ZINC000336432942 179160443 /nfs/dbraw/zinc/16/04/43/179160443.db2.gz YEZRYCDZETUFKA-QWRGUYRKSA-N -1 3 249.310 2.190 20 0 BEADHM Cc1cccc([O-])c1NC(=O)C(=O)C(C)(C)C ZINC000272369399 179160767 /nfs/dbraw/zinc/16/07/67/179160767.db2.gz APDBPIXWYYHELR-UHFFFAOYSA-N -1 3 235.283 2.254 20 0 BEADHM Cc1cccc([O-])c1NC(=O)CCOCC1CC1 ZINC000352638144 179161145 /nfs/dbraw/zinc/16/11/45/179161145.db2.gz RMTWUGZBJREUIA-UHFFFAOYSA-N -1 3 249.310 2.456 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCO[C@H](C)C1 ZINC000272471562 179161232 /nfs/dbraw/zinc/16/12/32/179161232.db2.gz LIGZPMSVAPNMRY-MNOVXSKESA-N -1 3 249.310 2.454 20 0 BEADHM Cc1cccc([O-])c1NC(=O)c1cncnc1C ZINC000352645293 179162598 /nfs/dbraw/zinc/16/25/98/179162598.db2.gz PSYPPLRRWDEJCX-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM CC[C@@H]1C[C@H]1CNC(=O)c1cccc(OC)c1[O-] ZINC000388033600 347159901 /nfs/dbraw/zinc/15/99/01/347159901.db2.gz JVYXUBNDZFCJRV-ZJUUUORDSA-N -1 3 249.310 2.177 20 0 BEADHM Cc1sc(C(=O)[O-])cc1CN(C)C1CC1 ZINC000087794338 362788289 /nfs/dbraw/zinc/78/82/89/362788289.db2.gz BIMHCRRMLXDLID-UHFFFAOYSA-N -1 3 225.313 2.349 20 0 BEADHM Cc1cccc(C(=O)Nc2cccnc2)c1[O-] ZINC000019837581 347294142 /nfs/dbraw/zinc/29/41/42/347294142.db2.gz TWCWNSFWXSRKQI-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM CCCCSc1ncc(C(=O)OC)[n-]1 ZINC000187596215 347260056 /nfs/dbraw/zinc/26/00/56/347260056.db2.gz FBBXCCQNEAWELO-UHFFFAOYSA-N -1 3 214.290 2.089 20 0 BEADHM Cc1ccccc1CC(=O)Nc1ncccc1[O-] ZINC000022263897 179260195 /nfs/dbraw/zinc/26/01/95/179260195.db2.gz REKCVKJPGPSNLI-UHFFFAOYSA-N -1 3 242.278 2.277 20 0 BEADHM C[C@@H](CC(=O)Nc1ncccc1[O-])n1cccc1 ZINC000591092652 347618101 /nfs/dbraw/zinc/61/81/01/347618101.db2.gz PSQMDGSYVRYSIK-JTQLQIEISA-N -1 3 245.282 2.179 20 0 BEADHM Cc1cccnc1/C=C/C(=O)[N-]OCC(C)C ZINC000273656517 179360068 /nfs/dbraw/zinc/36/00/68/179360068.db2.gz HJFLVACIBDARJZ-VOTSOKGWSA-N -1 3 234.299 2.107 20 0 BEADHM CCOC(=O)c1cc(-c2ncc(C)cc2C)n[n-]1 ZINC000596646749 348604620 /nfs/dbraw/zinc/60/46/20/348604620.db2.gz WODSRGVUDXKSND-UHFFFAOYSA-N -1 3 245.282 2.265 20 0 BEADHM CCOC(=O)c1cc(-c2ncc(C)cc2C)[n-]n1 ZINC000596646749 348604623 /nfs/dbraw/zinc/60/46/23/348604623.db2.gz WODSRGVUDXKSND-UHFFFAOYSA-N -1 3 245.282 2.265 20 0 BEADHM C[C@H](SCCc1nnn[n-]1)c1ccccc1 ZINC000095230354 349370517 /nfs/dbraw/zinc/37/05/17/349370517.db2.gz LVMQCRVWTUMLRS-VIFPVBQESA-N -1 3 234.328 2.237 20 0 BEADHM C[C@H](SCCc1nn[n-]n1)c1ccccc1 ZINC000095230354 349370519 /nfs/dbraw/zinc/37/05/19/349370519.db2.gz LVMQCRVWTUMLRS-VIFPVBQESA-N -1 3 234.328 2.237 20 0 BEADHM CCOC(C)(C)C(=O)[N-]c1onc(C)c1C ZINC000636925665 350073164 /nfs/dbraw/zinc/07/31/64/350073164.db2.gz XJISMWRXRMMFTK-UHFFFAOYSA-N -1 3 226.276 2.045 20 0 BEADHM C[C@@]1(C(=O)[O-])CCCN(CCC(F)(F)F)C1 ZINC000070914721 350073949 /nfs/dbraw/zinc/07/39/49/350073949.db2.gz BADAHXCPUJBWRX-SECBINFHSA-N -1 3 239.237 2.126 20 0 BEADHM CCCN(C)Cc1ccc(C(=O)[O-])s1 ZINC000071026332 350081309 /nfs/dbraw/zinc/08/13/09/350081309.db2.gz RKVIATGSGRDXMT-UHFFFAOYSA-N -1 3 213.302 2.288 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC1(C)CCC1 ZINC000626263781 350051198 /nfs/dbraw/zinc/05/11/98/350051198.db2.gz LUYXHVKVKWAKQF-UHFFFAOYSA-N -1 3 219.284 2.373 20 0 BEADHM Cc1ncc(NC(=O)c2cccc([O-])c2)s1 ZINC000336585351 180170659 /nfs/dbraw/zinc/17/06/59/180170659.db2.gz MJESGGDVZGMVDX-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM CCCc1nc(-c2ccc([O-])cc2)no1 ZINC000026513628 350278208 /nfs/dbraw/zinc/27/82/08/350278208.db2.gz CJNIVEFJTQMMSF-UHFFFAOYSA-N -1 3 204.229 2.395 20 0 BEADHM C[C@H]1CCC[C@H](CNC(=O)c2cccc([O-])c2)O1 ZINC000618565078 350337778 /nfs/dbraw/zinc/33/77/78/350337778.db2.gz NBCRWPKLXZFEAZ-GXFFZTMASA-N -1 3 249.310 2.080 20 0 BEADHM COc1cccc(C(=O)N[C@]23C[C@H]2CCC3)c1[O-] ZINC000617201886 350344962 /nfs/dbraw/zinc/34/49/62/350344962.db2.gz IYMSHLDTBBHGJC-YMTOWFKASA-N -1 3 247.294 2.073 20 0 BEADHM CO[N-]C(=O)CCCOc1ccccc1Cl ZINC000050559129 350356760 /nfs/dbraw/zinc/35/67/60/350356760.db2.gz PVVPMLCTEKEVPB-UHFFFAOYSA-N -1 3 243.690 2.177 20 0 BEADHM C[C@H](CC1CC1)NC(=O)c1cccc([O-])c1 ZINC000069670530 350378540 /nfs/dbraw/zinc/37/85/40/350378540.db2.gz GQNGLMWKKQKILO-SECBINFHSA-N -1 3 219.284 2.311 20 0 BEADHM O=C([C@H]1CC12CC2)N1CCCc2cccc([O-])c21 ZINC000335196281 538091156 /nfs/dbraw/zinc/09/11/56/538091156.db2.gz YEDCKMQBTLSWJY-LLVKDONJSA-N -1 3 243.306 2.472 20 0 BEADHM COc1ccc(C(=O)[N-]c2cnoc2)c(F)c1 ZINC000226229478 350409120 /nfs/dbraw/zinc/40/91/20/350409120.db2.gz SONIYWBLUUPWNH-UHFFFAOYSA-N -1 3 236.202 2.075 20 0 BEADHM CCC[C@@H]1C[C@H]1NC(=O)c1cccc([O-])c1 ZINC000227616675 350503722 /nfs/dbraw/zinc/50/37/22/350503722.db2.gz SAWUNOFQBBQQHS-BXKDBHETSA-N -1 3 219.284 2.311 20 0 BEADHM CC(C)=CCNCc1ccc(C(=O)[O-])cc1 ZINC000228853934 191107925 /nfs/dbraw/zinc/10/79/25/191107925.db2.gz LHLBZDLIHBSBOZ-UHFFFAOYSA-N -1 3 219.284 2.441 20 0 BEADHM CC(C)=CCC[C@@H](C)NC(=O)c1cc(=O)[n-]cn1 ZINC000627594382 350522827 /nfs/dbraw/zinc/52/28/27/350522827.db2.gz UHPZLPASXOBVQV-SNVBAGLBSA-N -1 3 249.314 2.047 20 0 BEADHM CSCCCOc1ccc2c([O-])coc2c1 ZINC000129185503 351004716 /nfs/dbraw/zinc/00/47/16/351004716.db2.gz FWCJMWWQUXJZTP-UHFFFAOYSA-N -1 3 238.308 2.394 20 0 BEADHM C[C@H]1C[C@H]1c1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000335963781 538101940 /nfs/dbraw/zinc/10/19/40/538101940.db2.gz BCGNQBIBOLYGRX-POYBYMJQSA-N -1 3 216.240 2.164 20 0 BEADHM CN(Cc1ccoc1)C(=O)c1cccc([O-])c1 ZINC000042448825 352622046 /nfs/dbraw/zinc/62/20/46/352622046.db2.gz CDRYMJRSGBZIQU-UHFFFAOYSA-N -1 3 231.251 2.257 20 0 BEADHM CC(C)(CC[N-]C(=O)C(F)(F)F)C1CC1 ZINC000307493495 352624742 /nfs/dbraw/zinc/62/47/42/352624742.db2.gz AYAUTTJGMNXNII-UHFFFAOYSA-N -1 3 223.238 2.491 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC(C)(C)C[C@H]2C)n1 ZINC000412047193 191243670 /nfs/dbraw/zinc/24/36/70/191243670.db2.gz SGWBDZVNEXNYJM-SNVBAGLBSA-N -1 3 249.358 2.365 20 0 BEADHM O=C([N-]c1nnc(C(F)F)s1)c1ccoc1 ZINC000334174806 352759512 /nfs/dbraw/zinc/75/95/12/352759512.db2.gz CKISMVPRRCNWLJ-UHFFFAOYSA-N -1 3 245.210 2.321 20 0 BEADHM Cn1cc(NCc2c(F)ccc([O-])c2F)cn1 ZINC000334203917 352797868 /nfs/dbraw/zinc/79/78/68/352797868.db2.gz RLZWDWFBIYVLMH-UHFFFAOYSA-N -1 3 239.225 2.016 20 0 BEADHM O=C(N[C@@H]1CC[C@@H](F)C1)c1ccccc1[O-] ZINC000334263220 352896290 /nfs/dbraw/zinc/89/62/90/352896290.db2.gz JJHBMBBMNFOLCR-RKDXNWHRSA-N -1 3 223.247 2.013 20 0 BEADHM Cc1co[n-]c1=NC(=O)c1ccn(C(C)C)c1C ZINC000334308738 352939921 /nfs/dbraw/zinc/93/99/21/352939921.db2.gz FCGWHZYCTNLSMQ-UHFFFAOYSA-N -1 3 247.298 2.348 20 0 BEADHM CC(C)CO[N-]C(=O)CCc1ccccc1 ZINC000135329790 187986279 /nfs/dbraw/zinc/98/62/79/187986279.db2.gz RZSITICLYFRHCZ-UHFFFAOYSA-N -1 3 221.300 2.323 20 0 BEADHM C/C(=C\C(=O)Nc1nc(C)ccc1[O-])C1CC1 ZINC000273342016 188027035 /nfs/dbraw/zinc/02/70/35/188027035.db2.gz AOMLNSHMHXTYEJ-BQYQJAHWSA-N -1 3 232.283 2.390 20 0 BEADHM CC(C)C[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000092125972 188049889 /nfs/dbraw/zinc/04/98/89/188049889.db2.gz JVYXAPJIGROMIM-VIFPVBQESA-N -1 3 237.299 2.262 20 0 BEADHM CCOCc1nc2cccc(F)c2c(=O)[n-]1 ZINC000608102964 353144672 /nfs/dbraw/zinc/14/46/72/353144672.db2.gz JABQTVNIOOXAJW-UHFFFAOYSA-N -1 3 222.219 2.011 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C2CC(C)(C)C2)n1 ZINC000355508174 188237352 /nfs/dbraw/zinc/23/73/52/188237352.db2.gz USIHIBFJLUHKEX-UHFFFAOYSA-N -1 3 234.299 2.470 20 0 BEADHM CC[C@H](F)CN1CCC(CCC(=O)[O-])CC1 ZINC000577857205 366087244 /nfs/dbraw/zinc/08/72/44/366087244.db2.gz UGJXKVRGRWYZQC-NSHDSACASA-N -1 3 231.311 2.311 20 0 BEADHM COc1ccc(CN2CCCCC2)cc1C(=O)[O-] ZINC000045206430 188297652 /nfs/dbraw/zinc/29/76/52/188297652.db2.gz PJDOUEDMJQUSQA-UHFFFAOYSA-N -1 3 249.310 2.379 20 0 BEADHM CC(=O)[N-]OCCCOc1cccc(Cl)c1 ZINC000084489760 188317366 /nfs/dbraw/zinc/31/73/66/188317366.db2.gz PEXDXVDYZUNUEH-UHFFFAOYSA-N -1 3 243.690 2.177 20 0 BEADHM CC(C)CO[N-]C(=O)Cc1ccccc1F ZINC000135334569 188332084 /nfs/dbraw/zinc/33/20/84/188332084.db2.gz MSOONSMVJLUNNT-UHFFFAOYSA-N -1 3 225.263 2.072 20 0 BEADHM Cc1ncsc1CN(C)Cc1ncccc1[O-] ZINC000563751194 353452208 /nfs/dbraw/zinc/45/22/08/353452208.db2.gz VMUPEXALVUGSDU-UHFFFAOYSA-N -1 3 249.339 2.184 20 0 BEADHM CC(C)(NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000231110657 363338114 /nfs/dbraw/zinc/33/81/14/363338114.db2.gz AIJKJHGSEWLMGS-UHFFFAOYSA-N -1 3 245.681 2.432 20 0 BEADHM Cc1ccc(CNCc2cnc(C)[n-]c2=O)cc1 ZINC000344303476 354214281 /nfs/dbraw/zinc/21/42/81/354214281.db2.gz MJEXUGRVVINYCQ-UHFFFAOYSA-N -1 3 243.310 2.089 20 0 BEADHM CC(C)([N-]S(=O)(=O)c1ccco1)C1CCC1 ZINC000334627896 354369084 /nfs/dbraw/zinc/36/90/84/354369084.db2.gz VNNWDOITOCWZSW-UHFFFAOYSA-N -1 3 243.328 2.137 20 0 BEADHM COc1cc(C(=O)N2CC[C@@H]2C2CC2)ccc1[O-] ZINC000334669948 354410603 /nfs/dbraw/zinc/41/06/03/354410603.db2.gz FOIQGQLEOFDECL-LLVKDONJSA-N -1 3 247.294 2.025 20 0 BEADHM COC1CCC(NC(=O)c2cccc([O-])c2)CC1 ZINC000334746288 354470813 /nfs/dbraw/zinc/47/08/13/354470813.db2.gz DRBWADRCFIGQDC-UHFFFAOYSA-N -1 3 249.310 2.080 20 0 BEADHM CC(=O)c1ccc(C(=O)N(C)C2CCC2)cc1[O-] ZINC000334804801 354561124 /nfs/dbraw/zinc/56/11/24/354561124.db2.gz NIDMNXVYIKXISN-UHFFFAOYSA-N -1 3 247.294 2.219 20 0 BEADHM Cc1cc(C(=O)Nc2ccc(C)cc2[O-])on1 ZINC000040419901 358491236 /nfs/dbraw/zinc/49/12/36/358491236.db2.gz MGVONEUBVZRYIL-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM Cc1ccc([O-])c(NC(=O)CCc2ccoc2)n1 ZINC000346001447 354837144 /nfs/dbraw/zinc/83/71/44/354837144.db2.gz WERPZWTYIIEJFZ-UHFFFAOYSA-N -1 3 246.266 2.260 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)C2=CCCCC2)c1C ZINC000335169592 354932003 /nfs/dbraw/zinc/93/20/03/354932003.db2.gz ZWFBJHSHMOQOAX-UHFFFAOYSA-N -1 3 233.315 2.141 20 0 BEADHM CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000335173325 354939084 /nfs/dbraw/zinc/93/90/84/354939084.db2.gz LWPQRJWVIOBWCQ-UHFFFAOYSA-N -1 3 235.161 2.249 20 0 BEADHM CC[C@@H](NC(=O)c1cc(OC)ccc1[O-])C1CC1 ZINC000323809981 355322484 /nfs/dbraw/zinc/32/24/84/355322484.db2.gz ANBYWYACMAGLNE-GFCCVEGCSA-N -1 3 249.310 2.319 20 0 BEADHM [O-]c1cccnc1CN1CCc2ccsc2C1 ZINC000583526725 355388734 /nfs/dbraw/zinc/38/87/34/355388734.db2.gz YJUGRAHLJYYJMT-UHFFFAOYSA-N -1 3 246.335 2.407 20 0 BEADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1ccon1 ZINC000349663966 355403714 /nfs/dbraw/zinc/40/37/14/355403714.db2.gz FWFNIXOUKGRLSG-MRVPVSSYSA-N -1 3 236.246 2.370 20 0 BEADHM COc1ccc([O-])c(C(=O)N(C)[C@@H]2CC2(C)C)c1 ZINC000335779901 355406799 /nfs/dbraw/zinc/40/67/99/355406799.db2.gz SNEJPWJLLCQCJM-GFCCVEGCSA-N -1 3 249.310 2.271 20 0 BEADHM C[C@@H]1CC[C@H](CNC(=O)c2csc(=O)[n-]2)C1 ZINC000335780095 355426829 /nfs/dbraw/zinc/42/68/29/355426829.db2.gz LKKCJNKDZBWNCT-SFYZADRCSA-N -1 3 240.328 2.015 20 0 BEADHM Cc1co[n-]c1=NC(=O)c1occc1C(C)C ZINC000335791477 355443727 /nfs/dbraw/zinc/44/37/27/355443727.db2.gz LWDWNDAWDHHDOA-UHFFFAOYSA-N -1 3 234.255 2.374 20 0 BEADHM C[C@@H]1[C@@H](C(=O)Nc2cc(F)ccc2[O-])C1(F)F ZINC000335802929 355472677 /nfs/dbraw/zinc/47/26/77/355472677.db2.gz DECOLOWGUVFEMU-ANLVUFKYSA-N -1 3 245.200 2.371 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCO[C@@H]1C ZINC000335809233 355483616 /nfs/dbraw/zinc/48/36/16/355483616.db2.gz PLDSTSZYMYMFRB-NXEZZACHSA-N -1 3 235.283 2.064 20 0 BEADHM COC1(C(=O)[N-]c2onc(C)c2C)CCCC1 ZINC000335821283 355540178 /nfs/dbraw/zinc/54/01/78/355540178.db2.gz GDDXOIOLXOWUCQ-UHFFFAOYSA-N -1 3 238.287 2.189 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2CCCOCC2)c([O-])c1 ZINC000335886956 355677441 /nfs/dbraw/zinc/67/74/41/355677441.db2.gz QGHOBSZZRXGXDS-LLVKDONJSA-N -1 3 249.310 2.456 20 0 BEADHM COCCCCC[S@@](=O)c1cccc([O-])c1 ZINC000350560832 355727552 /nfs/dbraw/zinc/72/75/52/355727552.db2.gz VYGGNOVFVVICLG-MRXNPFEDSA-N -1 3 242.340 2.317 20 0 BEADHM CCC[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000035085308 355797742 /nfs/dbraw/zinc/79/77/42/355797742.db2.gz SNZHOLPXOPZOIH-VIFPVBQESA-N -1 3 245.319 2.293 20 0 BEADHM CCC[C@@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000035085306 355797809 /nfs/dbraw/zinc/79/78/09/355797809.db2.gz SNZHOLPXOPZOIH-SECBINFHSA-N -1 3 245.319 2.293 20 0 BEADHM Cc1ccc(NC(=O)[C@](C)(O)C(C)C)c([O-])c1 ZINC000336060304 134068578 /nfs/dbraw/zinc/06/85/78/134068578.db2.gz UZJPAGWJAUDCIC-CYBMUJFWSA-N -1 3 237.299 2.046 20 0 BEADHM O=S(=O)([N-]CC1CCCC1)c1cccs1 ZINC000036112842 356007030 /nfs/dbraw/zinc/00/70/30/356007030.db2.gz IICKUHWKMDZZRB-UHFFFAOYSA-N -1 3 245.369 2.217 20 0 BEADHM CCC(C)(C)[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000617569165 356129829 /nfs/dbraw/zinc/12/98/29/356129829.db2.gz RIWOVEHVRKPQJW-ZETCQYMHSA-N -1 3 242.344 2.403 20 0 BEADHM CC[C@@H](C)CCNC(=O)c1ccc2n[n-]nc2c1 ZINC000617634246 356218292 /nfs/dbraw/zinc/21/82/92/356218292.db2.gz SBQQPHIRFVMYFL-SECBINFHSA-N -1 3 246.314 2.124 20 0 BEADHM CN(C(=O)c1cccc([O-])c1)C(C)(C)C ZINC000336134008 134095619 /nfs/dbraw/zinc/09/56/19/134095619.db2.gz HBQFMJOFCGRPEA-UHFFFAOYSA-N -1 3 207.273 2.263 20 0 BEADHM O=C(Nc1ncccc1[O-])c1occ2c1CCC2 ZINC000336134225 134095628 /nfs/dbraw/zinc/09/56/28/134095628.db2.gz PSHXZQDTUDZHSA-UHFFFAOYSA-N -1 3 244.250 2.121 20 0 BEADHM CCCC[C@@H](O)CCC(=O)[N-]OCC1CCC1 ZINC001640880097 1172198673 /nfs/dbraw/zinc/19/86/73/1172198673.db2.gz ZHNJBAMWNMMDMJ-GFCCVEGCSA-N -1 3 243.347 2.166 20 0 BEADHM Cc1ccc(C(=O)NC2(C(F)F)CC2)c([O-])c1 ZINC000336143840 134101439 /nfs/dbraw/zinc/10/14/39/134101439.db2.gz IGAWPOGZBKDZMR-UHFFFAOYSA-N -1 3 241.237 2.228 20 0 BEADHM Cc1ccn(C)c1C(=O)Nc1cc(F)ccc1[O-] ZINC000190322165 356438785 /nfs/dbraw/zinc/43/87/85/356438785.db2.gz HUHULHIDTFIDRV-UHFFFAOYSA-N -1 3 248.257 2.431 20 0 BEADHM O=C(NCc1ncccc1[O-])C1=CCCCCC1 ZINC000336184408 134120533 /nfs/dbraw/zinc/12/05/33/134120533.db2.gz UESDQWXDGBRSPR-UHFFFAOYSA-N -1 3 246.310 2.294 20 0 BEADHM Cc1cc(C(=O)Nc2c(C)cccc2[O-])no1 ZINC000179544505 366268028 /nfs/dbraw/zinc/26/80/28/366268028.db2.gz PZCIQQXJLVAVCY-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM Cc1cccc([O-])c1NC(=O)c1cccnc1 ZINC000179548792 366269569 /nfs/dbraw/zinc/26/95/69/366269569.db2.gz LXYCAZJJURPWTQ-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM COCCCCc1noc(-c2ccccc2[O-])n1 ZINC000350572947 366299973 /nfs/dbraw/zinc/29/99/73/366299973.db2.gz QYWVFGCKADIGCC-UHFFFAOYSA-N -1 3 248.282 2.411 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@H]1CC[C@H]1C ZINC000627213366 363509719 /nfs/dbraw/zinc/50/97/19/363509719.db2.gz GSFRHXNRKONGOA-SCZZXKLOSA-N -1 3 219.284 2.229 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CC[C@H]1C ZINC000627213363 363510291 /nfs/dbraw/zinc/51/02/91/363510291.db2.gz GSFRHXNRKONGOA-PSASIEDQSA-N -1 3 219.284 2.229 20 0 BEADHM C[C@H](c1cccnc1)N(C)Cc1ncccc1[O-] ZINC000582233757 356634218 /nfs/dbraw/zinc/63/42/18/356634218.db2.gz AUPPURHTTMBPOY-LLVKDONJSA-N -1 3 243.310 2.375 20 0 BEADHM CC(=O)c1[n-]c(=N[C@H](C)C2CC2)sc1C ZINC000450246556 202106551 /nfs/dbraw/zinc/10/65/51/202106551.db2.gz REQIFOOSOUONQF-ZCFIWIBFSA-N -1 3 224.329 2.286 20 0 BEADHM CSC[C@H](C)N=c1[n-]c(C(C)=O)c(C)s1 ZINC000450343394 202135438 /nfs/dbraw/zinc/13/54/38/202135438.db2.gz XAUAHZZFTDIKHB-LURJTMIESA-N -1 3 244.385 2.239 20 0 BEADHM [O-]c1ccccc1-c1nc(-c2cocn2)no1 ZINC000350875579 366357996 /nfs/dbraw/zinc/35/79/96/366357996.db2.gz XHCZBJSQMKBBQJ-UHFFFAOYSA-N -1 3 229.195 2.097 20 0 BEADHM Cc1ccc(C(=O)Nc2ncccc2[O-])s1 ZINC000022263273 357065892 /nfs/dbraw/zinc/06/58/92/357065892.db2.gz VRLHSPWLBLNAMM-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM Cc1ccc(CNC[C@H](C(=O)[O-])C(C)C)o1 ZINC000259019779 538806587 /nfs/dbraw/zinc/80/65/87/538806587.db2.gz PLGNASVZDHGQIP-NSHDSACASA-N -1 3 225.288 2.034 20 0 BEADHM Cc1ccc([O-])c(CN[C@@H]2C[C@H]2C(F)(F)F)n1 ZINC000631259939 357238324 /nfs/dbraw/zinc/23/83/24/357238324.db2.gz GPHZSRQWWXRXSP-HTQZYQBOSA-N -1 3 246.232 2.136 20 0 BEADHM CCOC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000040452191 357238654 /nfs/dbraw/zinc/23/86/54/357238654.db2.gz UXYBKFGIBYFJTK-UHFFFAOYSA-N -1 3 249.310 2.033 20 0 BEADHM C[C@@H]([N-]S(=O)(=O)c1ccco1)C1CCCC1 ZINC000188689327 357572048 /nfs/dbraw/zinc/57/20/48/357572048.db2.gz HGMKNNFRQDKBOS-SECBINFHSA-N -1 3 243.328 2.137 20 0 BEADHM CC[C@H](C(=O)[O-])N1CCC[C@@H]1c1ccco1 ZINC000583268234 357763136 /nfs/dbraw/zinc/76/31/36/357763136.db2.gz MLIOJUOEWYBEEU-NXEZZACHSA-N -1 3 223.272 2.280 20 0 BEADHM CC[C@H](C(=O)[O-])N1CCC[C@H]1c1ccco1 ZINC000583268240 357763371 /nfs/dbraw/zinc/76/33/71/357763371.db2.gz MLIOJUOEWYBEEU-ZJUUUORDSA-N -1 3 223.272 2.280 20 0 BEADHM CSc1ccc([O-])c(C(=O)NC2CCC2)c1 ZINC000668416328 491114519 /nfs/dbraw/zinc/11/45/19/491114519.db2.gz XPWSWSJJPKOFCM-UHFFFAOYSA-N -1 3 237.324 2.396 20 0 BEADHM O=C(c1cccc([O-])c1)N1C2CCC1CC2 ZINC000398941925 357891959 /nfs/dbraw/zinc/89/19/59/357891959.db2.gz KFDDAPUERIAPEF-UHFFFAOYSA-N -1 3 217.268 2.159 20 0 BEADHM O=C([N-]c1nnc(C2CC2)s1)c1ccoc1 ZINC000022738688 357972098 /nfs/dbraw/zinc/97/20/98/357972098.db2.gz XZEZNYONOFKALY-UHFFFAOYSA-N -1 3 235.268 2.261 20 0 BEADHM C[C@@H]1CCN(Cc2ncccc2[O-])CCS1 ZINC000564305729 325295149 /nfs/dbraw/zinc/29/51/49/325295149.db2.gz YSMYDUIZAFSSFU-SNVBAGLBSA-N -1 3 238.356 2.115 20 0 BEADHM CCCN(Cc1occc1C(=O)[O-])C1CC1 ZINC000035433034 357992018 /nfs/dbraw/zinc/99/20/18/357992018.db2.gz JOLMWUZMYHGAFS-UHFFFAOYSA-N -1 3 223.272 2.352 20 0 BEADHM CN(Cc1ccoc1C(=O)[O-])C1CCCC1 ZINC000037092944 358064673 /nfs/dbraw/zinc/06/46/73/358064673.db2.gz OJRHFXCIHHQXDZ-UHFFFAOYSA-N -1 3 223.272 2.352 20 0 BEADHM CC(C)[C@H](NCc1ccc(F)cc1F)C(=O)[O-] ZINC000043429471 358375622 /nfs/dbraw/zinc/37/56/22/358375622.db2.gz XGZVLQKBAKKEOE-NSHDSACASA-N -1 3 243.253 2.164 20 0 BEADHM CC(F)(F)C(=O)[N-]Cc1ccc(F)cc1 ZINC000284154695 167809284 /nfs/dbraw/zinc/80/92/84/167809284.db2.gz UDKXBBIDSJGDMX-UHFFFAOYSA-N -1 3 217.190 2.097 20 0 BEADHM CCc1ccc([O-])c(C(=O)NCC2CC2)c1 ZINC000132459501 358724118 /nfs/dbraw/zinc/72/41/18/358724118.db2.gz UAOFHWYAZBHPPN-UHFFFAOYSA-N -1 3 219.284 2.094 20 0 BEADHM CC(C)CCCc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351368645 366517841 /nfs/dbraw/zinc/51/78/41/366517841.db2.gz KGRILNDVDMEKSK-UHFFFAOYSA-N -1 3 248.286 2.211 20 0 BEADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000057102526 358902926 /nfs/dbraw/zinc/90/29/26/358902926.db2.gz QWCXZWCOGRWLMO-BDAKNGLRSA-N -1 3 247.385 2.461 20 0 BEADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000057102525 358903066 /nfs/dbraw/zinc/90/30/66/358903066.db2.gz QWCXZWCOGRWLMO-DTWKUNHWSA-N -1 3 247.385 2.461 20 0 BEADHM COc1cccc(C(=O)Nc2ncccc2[O-])c1 ZINC000069741602 359033035 /nfs/dbraw/zinc/03/30/35/359033035.db2.gz HRQFAXVTPPTFJE-UHFFFAOYSA-N -1 3 244.250 2.048 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2CCSC2)c([O-])c1 ZINC000069985324 359037131 /nfs/dbraw/zinc/03/71/31/359037131.db2.gz ZXQITNGGFDQXER-SECBINFHSA-N -1 3 237.324 2.392 20 0 BEADHM CC(C)=CCNC(=O)c1c(C)cccc1[O-] ZINC000626635324 358999460 /nfs/dbraw/zinc/99/94/60/358999460.db2.gz IHMCEEZOHNUEHW-UHFFFAOYSA-N -1 3 219.284 2.397 20 0 BEADHM CC1(C)CC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000286946628 359401018 /nfs/dbraw/zinc/40/10/18/359401018.db2.gz FKCAZNJYUUGIFY-NSHDSACASA-N -1 3 219.284 2.311 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C)C1 ZINC000626708038 359516315 /nfs/dbraw/zinc/51/63/15/359516315.db2.gz AKZZHNFJMXSUJW-UHFFFAOYSA-N -1 3 219.284 2.183 20 0 BEADHM C[C@@H](C(=O)[O-])N(C)Cc1ccccc1OC1CC1 ZINC000574995508 359530224 /nfs/dbraw/zinc/53/02/24/359530224.db2.gz DOWUUZBUEYSNOV-JTQLQIEISA-N -1 3 249.310 2.133 20 0 BEADHM O=C(Nc1ccccc1[O-])c1nccs1 ZINC000082269431 491141557 /nfs/dbraw/zinc/14/15/57/491141557.db2.gz FESHHSVOFAPCLB-UHFFFAOYSA-N -1 3 220.253 2.101 20 0 BEADHM CCCCCS(=O)(=O)[N-][C@H](C)C(C)(F)F ZINC000451073295 202347630 /nfs/dbraw/zinc/34/76/30/202347630.db2.gz QUYWQXRHWHHZRE-MRVPVSSYSA-N -1 3 243.319 2.140 20 0 BEADHM C[C@H]1CCCC[C@H]1NC(=O)Cc1cncc([O-])c1 ZINC000578564110 366600650 /nfs/dbraw/zinc/60/06/50/366600650.db2.gz HCGYANANNHMCRW-GXFFZTMASA-N -1 3 248.326 2.025 20 0 BEADHM C[C@@H]1CCCC[C@@H]1NC(=O)Cc1cncc([O-])c1 ZINC000578564111 366600715 /nfs/dbraw/zinc/60/07/15/366600715.db2.gz HCGYANANNHMCRW-MFKMUULPSA-N -1 3 248.326 2.025 20 0 BEADHM O=C(NC[C@H]1CCCS1)c1cccc([O-])c1 ZINC000087669294 359923347 /nfs/dbraw/zinc/92/33/47/359923347.db2.gz UYOXRTDRCOHWQC-LLVKDONJSA-N -1 3 237.324 2.018 20 0 BEADHM CC(=O)CCC(=O)Nc1c([O-])cccc1Cl ZINC000578940713 366677088 /nfs/dbraw/zinc/67/70/88/366677088.db2.gz XDMZHSWILSYIIW-UHFFFAOYSA-N -1 3 241.674 2.353 20 0 BEADHM C[C@]1(C(=O)Nc2ccc([O-])cc2F)CCCO1 ZINC000094789729 360316776 /nfs/dbraw/zinc/31/67/76/360316776.db2.gz OWYHGUTYFMISBM-GFCCVEGCSA-N -1 3 239.246 2.039 20 0 BEADHM CCC(F)(F)CNC(=O)c1c(C)cccc1[O-] ZINC000628837843 360691866 /nfs/dbraw/zinc/69/18/66/360691866.db2.gz NWDFLLUMIGQENT-UHFFFAOYSA-N -1 3 243.253 2.476 20 0 BEADHM COc1ccc(C(=O)N(C2CC2)C2CC2)c([O-])c1 ZINC000628819501 360674225 /nfs/dbraw/zinc/67/42/25/360674225.db2.gz ASHGNJJPHHUPFN-UHFFFAOYSA-N -1 3 247.294 2.168 20 0 BEADHM CCC(F)(F)CNC(=O)c1cccc(C)c1[O-] ZINC000628846032 360701585 /nfs/dbraw/zinc/70/15/85/360701585.db2.gz PHZRFPRYHRKOFS-UHFFFAOYSA-N -1 3 243.253 2.476 20 0 BEADHM CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000155525330 360886415 /nfs/dbraw/zinc/88/64/15/360886415.db2.gz QRPMLWODKYONIK-BXKDBHETSA-N -1 3 249.310 2.406 20 0 BEADHM C[C@@H]1C[C@@H]1CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000629361592 361011111 /nfs/dbraw/zinc/01/11/11/361011111.db2.gz JIACWZACUHQQKB-BXKDBHETSA-N -1 3 231.295 2.356 20 0 BEADHM O=C([O-])C1(NCc2ccc(Cl)cc2F)CC1 ZINC000163172598 361389333 /nfs/dbraw/zinc/38/93/33/361389333.db2.gz VJRKTMHLHAKHEZ-UHFFFAOYSA-N -1 3 243.665 2.186 20 0 BEADHM CCc1cc(=O)[n-]c(CN(C)[C@@H]2CC[C@H](C)C2)n1 ZINC000429578523 201119463 /nfs/dbraw/zinc/11/94/63/201119463.db2.gz TVDUTFRVPIOONZ-CMPLNLGQSA-N -1 3 249.358 2.365 20 0 BEADHM C[C@]1(C(=O)[O-])CCCN1Cc1cccs1 ZINC000070618228 361637501 /nfs/dbraw/zinc/63/75/01/361637501.db2.gz WMLNSLLSMQRUHU-LLVKDONJSA-N -1 3 225.313 2.187 20 0 BEADHM O=[S@](CCC(F)(F)F)c1cccc([O-])c1 ZINC000435428928 201271685 /nfs/dbraw/zinc/27/16/85/201271685.db2.gz VHFQBPQWOUEGRL-OAHLLOKOSA-N -1 3 238.230 2.452 20 0 BEADHM CCc1ccc(C(=O)N[C@H]2CC2(C)C)c([O-])c1 ZINC000436804902 201335991 /nfs/dbraw/zinc/33/59/91/201335991.db2.gz BUELBVIECDNNFS-LBPRGKRZSA-N -1 3 233.311 2.483 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)CC)c1 ZINC000436753611 201337398 /nfs/dbraw/zinc/33/73/98/201337398.db2.gz FAEOEWQLWQAMGK-VIFPVBQESA-N -1 3 221.300 2.483 20 0 BEADHM CCc1ccc(C(=O)N(C)CC(F)F)c([O-])c1 ZINC000436817683 201339162 /nfs/dbraw/zinc/33/91/62/201339162.db2.gz BVLUAGAUGAPOHH-UHFFFAOYSA-N -1 3 243.253 2.292 20 0 BEADHM CCc1ccc(C(=O)NC2CC(C)C2)c([O-])c1 ZINC000436829927 201339223 /nfs/dbraw/zinc/33/92/23/201339223.db2.gz BUAUAAYBWSMKEY-UHFFFAOYSA-N -1 3 233.311 2.483 20 0 BEADHM CNCc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000436872634 201339683 /nfs/dbraw/zinc/33/96/83/201339683.db2.gz NDHQDFPNMWUXKD-UHFFFAOYSA-N -1 3 247.298 2.285 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)c2ccoc2CC)c1C ZINC000437537332 201355933 /nfs/dbraw/zinc/35/59/33/201355933.db2.gz MQAVNUBAWMLCTO-UHFFFAOYSA-N -1 3 247.298 2.110 20 0 BEADHM CCc1cc(C(=O)N2COCC2(C)C)ccc1[O-] ZINC000614430736 363815132 /nfs/dbraw/zinc/81/51/32/363815132.db2.gz LLKFNXGZFNQWSX-UHFFFAOYSA-N -1 3 249.310 2.163 20 0 BEADHM C[C@@H](O)C(C)(C)NCc1cccc([O-])c1Cl ZINC000328251061 363865687 /nfs/dbraw/zinc/86/56/87/363865687.db2.gz SOCZZAIAPBVUCG-MRVPVSSYSA-N -1 3 243.734 2.295 20 0 BEADHM O=C([N-]c1cc(F)ccn1)c1cc(C2CC2)no1 ZINC000622152482 370738887 /nfs/dbraw/zinc/73/88/87/370738887.db2.gz KNUDKALFYQHGOP-UHFFFAOYSA-N -1 3 247.229 2.338 20 0 BEADHM CN(C[C@H]1CC1(C)C)C(=O)c1c([O-])cccc1O ZINC000622186932 370753249 /nfs/dbraw/zinc/75/32/49/370753249.db2.gz XOEBKRMYBUEEDG-SECBINFHSA-N -1 3 249.310 2.216 20 0 BEADHM CCc1nc(C[N-]c2nc(C)no2)cs1 ZINC000133984594 364382980 /nfs/dbraw/zinc/38/29/80/364382980.db2.gz SXLGUFICFNYTII-UHFFFAOYSA-N -1 3 224.289 2.009 20 0 BEADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC1 ZINC000336009450 541424108 /nfs/dbraw/zinc/42/41/08/541424108.db2.gz XQACOUIXCGORPI-UHFFFAOYSA-N -1 3 227.263 2.391 20 0 BEADHM O=C(Nc1ncccc1[O-])c1ccoc1Cl ZINC000192444708 365337174 /nfs/dbraw/zinc/33/71/74/365337174.db2.gz OCDFJKXEECALBR-UHFFFAOYSA-N -1 3 238.630 2.286 20 0 BEADHM CC(C)C(C)(C)NC(=O)c1csc(=O)[n-]1 ZINC000575800988 365366387 /nfs/dbraw/zinc/36/63/87/365366387.db2.gz GUQIZLNHZZVBSS-UHFFFAOYSA-N -1 3 228.317 2.013 20 0 BEADHM Cc1cc(C)c(C(=O)Nc2ncccc2[O-])o1 ZINC000175000239 365523546 /nfs/dbraw/zinc/52/35/46/365523546.db2.gz UPGVKWGNHSVHHG-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM CC(C)(C)OCC(=O)Nc1cccc([O-])c1F ZINC000182495749 366911261 /nfs/dbraw/zinc/91/12/61/366911261.db2.gz JLZGJEMXTKYLQO-UHFFFAOYSA-N -1 3 241.262 2.285 20 0 BEADHM CCC(CC)CNC(=O)c1cccc2nn[n-]c21 ZINC000183572694 367030658 /nfs/dbraw/zinc/03/06/58/367030658.db2.gz NLKSIUPVCLDLCU-UHFFFAOYSA-N -1 3 246.314 2.124 20 0 BEADHM CCC(CC)CNC(=O)c1cccc2[n-]nnc21 ZINC000183572694 367030665 /nfs/dbraw/zinc/03/06/65/367030665.db2.gz NLKSIUPVCLDLCU-UHFFFAOYSA-N -1 3 246.314 2.124 20 0 BEADHM CCC(CC)CNC(=O)c1cccc2n[n-]nc21 ZINC000183572694 367030670 /nfs/dbraw/zinc/03/06/70/367030670.db2.gz NLKSIUPVCLDLCU-UHFFFAOYSA-N -1 3 246.314 2.124 20 0 BEADHM CC(=O)CCCC(=O)Nc1cccc([O-])c1F ZINC000185783388 367143591 /nfs/dbraw/zinc/14/35/91/367143591.db2.gz ZYIKMXWYHYORRG-UHFFFAOYSA-N -1 3 239.246 2.229 20 0 BEADHM C[C@H]1CCN(c2ccncc2C(=O)[O-])[C@H]1C ZINC000380562509 367244729 /nfs/dbraw/zinc/24/47/29/367244729.db2.gz VZRTXAGFMKYZDV-IUCAKERBSA-N -1 3 220.272 2.015 20 0 BEADHM C[C@H](NCc1ncccc1[O-])c1nccs1 ZINC000381455286 367407454 /nfs/dbraw/zinc/40/74/54/367407454.db2.gz IEBOTHMPWCHFLM-QMMMGPOBSA-N -1 3 235.312 2.095 20 0 BEADHM CCO[N-]C(=O)CCCc1ccc(OC)cc1 ZINC000061374754 368562443 /nfs/dbraw/zinc/56/24/43/368562443.db2.gz FGUNHVODSXPIOF-UHFFFAOYSA-N -1 3 237.299 2.086 20 0 BEADHM CCc1noc(C)c1[N-]C(=O)c1ccsn1 ZINC000622463461 370936960 /nfs/dbraw/zinc/93/69/60/370936960.db2.gz DLGOOWVSIYRLKZ-UHFFFAOYSA-N -1 3 237.284 2.254 20 0 BEADHM CC1(C)CCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000087256564 368891128 /nfs/dbraw/zinc/89/11/28/368891128.db2.gz PUGMWVAPGAHXRQ-UHFFFAOYSA-N -1 3 223.272 2.210 20 0 BEADHM Cc1ccnc(C[S@@](=O)c2cccc([O-])c2)c1 ZINC000616194401 369025397 /nfs/dbraw/zinc/02/53/97/369025397.db2.gz WCPLCMGCEHLFGQ-QGZVFWFLSA-N -1 3 247.319 2.403 20 0 BEADHM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccccc1[O-] ZINC000458122509 203136999 /nfs/dbraw/zinc/13/69/99/203136999.db2.gz ANONBULAGTXMHE-WDEREUQCSA-N -1 3 219.284 2.167 20 0 BEADHM C[C@@H]1CCCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459304819 203252818 /nfs/dbraw/zinc/25/28/18/203252818.db2.gz MDTYKLLFAZIADW-SNVBAGLBSA-N -1 3 247.342 2.434 20 0 BEADHM COc1ccc(C(=O)NCC2=CCCC2)c([O-])c1 ZINC000620003672 369658414 /nfs/dbraw/zinc/65/84/14/369658414.db2.gz MBANYIQQXBYUSR-UHFFFAOYSA-N -1 3 247.294 2.241 20 0 BEADHM COc1ccc(C(=O)N[C@]2(C)CC2(C)C)c([O-])c1 ZINC000620082337 369721190 /nfs/dbraw/zinc/72/11/90/369721190.db2.gz VVCUPICTTIYDPE-CQSZACIVSA-N -1 3 249.310 2.319 20 0 BEADHM CCCN(CCC)C(=O)c1cc(F)c[n-]c1=O ZINC000621394453 370334544 /nfs/dbraw/zinc/33/45/44/370334544.db2.gz FRHYDQLFGRAWAR-UHFFFAOYSA-N -1 3 240.278 2.189 20 0 BEADHM CC[C@@H](C(=O)[O-])N(C)Cc1cncc(Cl)c1 ZINC000621773841 370518287 /nfs/dbraw/zinc/51/82/87/370518287.db2.gz DCVRBAYQOKMMPL-JTQLQIEISA-N -1 3 242.706 2.030 20 0 BEADHM C[C@H]1CCC[C@@H](SCCc2nnn[n-]2)C1 ZINC000095254343 371263815 /nfs/dbraw/zinc/26/38/15/371263815.db2.gz FINAWIJNULMEDY-DTWKUNHWSA-N -1 3 226.349 2.054 20 0 BEADHM C[C@H]1CCC[C@@H](SCCc2nn[n-]n2)C1 ZINC000095254343 371263822 /nfs/dbraw/zinc/26/38/22/371263822.db2.gz FINAWIJNULMEDY-DTWKUNHWSA-N -1 3 226.349 2.054 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1C[C@@H]1C ZINC000624108925 371311282 /nfs/dbraw/zinc/31/12/82/371311282.db2.gz IQCXXBNLJJGGPR-UWVGGRQHSA-N -1 3 219.284 2.086 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CC(C2CC2)C1 ZINC000627434875 371615440 /nfs/dbraw/zinc/61/54/40/371615440.db2.gz WQHLOHWIQGQTJH-UHFFFAOYSA-N -1 3 231.295 2.183 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)[C@@H]1C ZINC000627537838 371691774 /nfs/dbraw/zinc/69/17/74/371691774.db2.gz SWGHZVGMECBYRS-UWVGGRQHSA-N -1 3 219.284 2.181 20 0 BEADHM O=C(/C=C/C1CC1)NCc1ccc([O-])c(F)c1 ZINC000269078730 181833142 /nfs/dbraw/zinc/83/31/42/181833142.db2.gz CIGDZBOPLPRBOA-GQCTYLIASA-N -1 3 235.258 2.114 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1C[C@@H]2C[C@H]1CS2 ZINC000627726149 371899984 /nfs/dbraw/zinc/89/99/84/371899984.db2.gz RCEDCZSDHRYLJJ-UWVGGRQHSA-N -1 3 249.335 2.031 20 0 BEADHM Cc1cccc(C(=O)NC[C@@H](C)C2CC2)c1[O-] ZINC000132748182 371913026 /nfs/dbraw/zinc/91/30/26/371913026.db2.gz FUZFQXRFDITRDQ-SNVBAGLBSA-N -1 3 233.311 2.477 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC[C@@H](C)C2CC2)c1 ZINC000132754497 371916726 /nfs/dbraw/zinc/91/67/26/371916726.db2.gz YVBRZUYJEMEXDV-SNVBAGLBSA-N -1 3 233.311 2.477 20 0 BEADHM O=C(CCCCO)Nc1ccc(Cl)cc1[O-] ZINC000632138941 372777555 /nfs/dbraw/zinc/77/75/55/372777555.db2.gz JVOOADUCJARTOS-UHFFFAOYSA-N -1 3 243.690 2.147 20 0 BEADHM O=C(C[C@@H]1C=CCCC1)[N-]OCc1cccnc1 ZINC000189224794 182014776 /nfs/dbraw/zinc/01/47/76/182014776.db2.gz QCXOIINEXFNPJV-GFCCVEGCSA-N -1 3 246.310 2.376 20 0 BEADHM O=C(Cc1ccccc1F)[N-]OC1CCCC1 ZINC000074581440 182045450 /nfs/dbraw/zinc/04/54/50/182045450.db2.gz WMZWWQQFGNIEIT-UHFFFAOYSA-N -1 3 237.274 2.359 20 0 BEADHM C[C@@H](CC1CCC1)[N-]S(=O)(=O)c1ccco1 ZINC000632693533 373075012 /nfs/dbraw/zinc/07/50/12/373075012.db2.gz HHTHUXXSLDTYJN-VIFPVBQESA-N -1 3 243.328 2.137 20 0 BEADHM O=C(NC[C@H]1CC=CCC1)c1c([O-])cccc1O ZINC000125736324 182235531 /nfs/dbraw/zinc/23/55/31/182235531.db2.gz UHYKPBMLMZUPFK-JTQLQIEISA-N -1 3 247.294 2.184 20 0 BEADHM O=C(NCc1ccc(O)cc1)c1ccccc1[O-] ZINC000042652656 182251086 /nfs/dbraw/zinc/25/10/86/182251086.db2.gz NECGZUXOCOFTPV-UHFFFAOYSA-N -1 3 243.262 2.028 20 0 BEADHM O=C([N-]OCC1CC1)C1(Cc2ccccc2)CC1 ZINC000293805906 182281943 /nfs/dbraw/zinc/28/19/43/182281943.db2.gz QCWZOAFWIAJESX-UHFFFAOYSA-N -1 3 245.322 2.467 20 0 BEADHM [O-]C(=NOCC1CC1)Nc1cccc(C2CC2)n1 ZINC000296643478 182281961 /nfs/dbraw/zinc/28/19/61/182281961.db2.gz BZCDLBCUIAAQHK-UHFFFAOYSA-N -1 3 247.298 2.422 20 0 BEADHM O=C([N-]OCC1CC1)Nc1cccc(C2CC2)n1 ZINC000296643478 182281964 /nfs/dbraw/zinc/28/19/64/182281964.db2.gz BZCDLBCUIAAQHK-UHFFFAOYSA-N -1 3 247.298 2.422 20 0 BEADHM O=C([N-]OCC1CC1)c1c(F)cc(F)cc1F ZINC000293720300 182282486 /nfs/dbraw/zinc/28/24/86/182282486.db2.gz GPJDBHNAVMLEHW-UHFFFAOYSA-N -1 3 245.200 2.175 20 0 BEADHM O=C([N-]OCc1ccccc1)C1CC=CC1 ZINC000076943155 182283122 /nfs/dbraw/zinc/28/31/22/182283122.db2.gz CQKZQWBRXPOMBG-UHFFFAOYSA-N -1 3 217.268 2.201 20 0 BEADHM [O-]C(=NOCCC(F)(F)F)Nc1ccccn1 ZINC000122429474 182283703 /nfs/dbraw/zinc/28/37/03/182283703.db2.gz HKZJNSQKHNDCTJ-UHFFFAOYSA-N -1 3 249.192 2.087 20 0 BEADHM O=C([N-]OCCC(F)(F)F)Nc1ccccn1 ZINC000122429474 182283704 /nfs/dbraw/zinc/28/37/04/182283704.db2.gz HKZJNSQKHNDCTJ-UHFFFAOYSA-N -1 3 249.192 2.087 20 0 BEADHM O=C([N-]OCc1ccccc1)C1[C@@H]2CCC[C@H]12 ZINC000093668539 182283796 /nfs/dbraw/zinc/28/37/96/182283796.db2.gz KFBCLBDJWLQOAO-FUNVUKJBSA-N -1 3 231.295 2.281 20 0 BEADHM O=C([N-][C@H]1CCOc2c(F)cccc21)C(F)F ZINC000194891225 182339124 /nfs/dbraw/zinc/33/91/24/182339124.db2.gz CXZRLZNAQAFSRC-QMMMGPOBSA-N -1 3 245.200 2.031 20 0 BEADHM O=C([N-][C@H]1CCc2c1cccc2F)C(F)F ZINC000278451830 182340991 /nfs/dbraw/zinc/34/09/91/182340991.db2.gz NGYKGXGVDZOHQW-VIFPVBQESA-N -1 3 229.201 2.194 20 0 BEADHM O=C([N-][C@H]1COc2c1cccc2Cl)C(F)F ZINC000375753675 182342798 /nfs/dbraw/zinc/34/27/98/182342798.db2.gz HTKSHCISTKYOIY-ZETCQYMHSA-N -1 3 247.628 2.155 20 0 BEADHM O=C(Nc1ccc(Cl)cc1[O-])c1cncnc1 ZINC000355128171 182354099 /nfs/dbraw/zinc/35/40/99/182354099.db2.gz QROUZIWAIBOCPT-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCCS1 ZINC000267369146 182349723 /nfs/dbraw/zinc/34/97/23/182349723.db2.gz RJXUQBMQVISMQH-SNVBAGLBSA-N -1 3 241.287 2.365 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])C1=COCCC1 ZINC000174882515 182350082 /nfs/dbraw/zinc/35/00/82/182350082.db2.gz ARENBXWZONHICD-UHFFFAOYSA-N -1 3 237.230 2.164 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCCS1 ZINC000082879368 182361084 /nfs/dbraw/zinc/36/10/84/182361084.db2.gz OLVQUDITBLLDFR-SNVBAGLBSA-N -1 3 241.287 2.365 20 0 BEADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCS1 ZINC000266538821 182380368 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CC(C)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000267925127 386598889 /nfs/dbraw/zinc/59/88/89/386598889.db2.gz KIJBHEYVOYMCMV-UHFFFAOYSA-N -1 3 244.294 2.421 20 0 BEADHM CC(=O)c1[n-]c(=N[C@@H]2C[C@H]3C[C@H]3C2)sc1C ZINC000425307507 386534049 /nfs/dbraw/zinc/53/40/49/386534049.db2.gz UEVSNBCOBTVYJL-ILWJIGKKSA-N -1 3 236.340 2.286 20 0 BEADHM O=C(CC[C@@H]1CCCCO1)[N-]OC/C=C/Cl ZINC000291434908 386546875 /nfs/dbraw/zinc/54/68/75/386546875.db2.gz AQYVZUFGKVGLRL-HTZNOQTFSA-N -1 3 247.722 2.136 20 0 BEADHM CCCc1nc(C)c(C(=O)[N-]c2cc(C)on2)o1 ZINC000292309575 386650621 /nfs/dbraw/zinc/65/06/21/386650621.db2.gz AXNXLRRAOMSUKQ-UHFFFAOYSA-N -1 3 249.270 2.484 20 0 BEADHM O=C([N-]OC/C=C/Cl)C1=CCCCC1 ZINC000291979820 386604165 /nfs/dbraw/zinc/60/41/65/386604165.db2.gz ZBOQRMIFFRAHES-QPJJXVBHSA-N -1 3 215.680 2.287 20 0 BEADHM CCc1ccc(C(=O)NCC(C)C)c([O-])c1 ZINC000188461839 386657640 /nfs/dbraw/zinc/65/76/40/386657640.db2.gz FKRKECWNQGKXAU-UHFFFAOYSA-N -1 3 221.300 2.340 20 0 BEADHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)C2CCC2)n1 ZINC000357038189 386696780 /nfs/dbraw/zinc/69/67/80/386696780.db2.gz MUOIXCPYWSXRNS-SNVBAGLBSA-N -1 3 249.358 2.365 20 0 BEADHM CCc1cccc(C(=O)N2CCCCO2)c1[O-] ZINC000526943356 386700272 /nfs/dbraw/zinc/70/02/72/386700272.db2.gz IQQSZZKHUPWUNV-UHFFFAOYSA-N -1 3 235.283 2.122 20 0 BEADHM CCC(C)(C)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000526940866 386704820 /nfs/dbraw/zinc/70/48/20/386704820.db2.gz SBRUIQYNFSNMDI-UHFFFAOYSA-N -1 3 246.314 2.219 20 0 BEADHM CCC(C)(C)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000526940866 386704827 /nfs/dbraw/zinc/70/48/27/386704827.db2.gz SBRUIQYNFSNMDI-UHFFFAOYSA-N -1 3 246.314 2.219 20 0 BEADHM CCC(C)(C)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000526940866 386704835 /nfs/dbraw/zinc/70/48/35/386704835.db2.gz SBRUIQYNFSNMDI-UHFFFAOYSA-N -1 3 246.314 2.219 20 0 BEADHM CC(C)[C@@H](NCc1cc(F)ccc1F)C(=O)[O-] ZINC000043430536 386706870 /nfs/dbraw/zinc/70/68/70/386706870.db2.gz DHDXEIXSJMTJQC-LLVKDONJSA-N -1 3 243.253 2.164 20 0 BEADHM O=C([O-])CCNCc1ccccc1OCC1CC1 ZINC000340692048 386715610 /nfs/dbraw/zinc/71/56/10/386715610.db2.gz QSQBSDUMWWHKAJ-UHFFFAOYSA-N -1 3 249.310 2.040 20 0 BEADHM Cc1cc(C(=O)NC2(CF)CCC2)ccc1[O-] ZINC000335541513 386722779 /nfs/dbraw/zinc/72/27/79/386722779.db2.gz KJHFUPMLAQPQMN-UHFFFAOYSA-N -1 3 237.274 2.323 20 0 BEADHM CO[N-]C(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000279706865 386723770 /nfs/dbraw/zinc/72/37/70/386723770.db2.gz KDNLOPNYJDORSI-SECBINFHSA-N -1 3 232.283 2.339 20 0 BEADHM CSCCO[N-]C(=O)/C=C/c1ccsc1 ZINC000279852325 386746824 /nfs/dbraw/zinc/74/68/24/386746824.db2.gz CKYMXSCNYZFZDD-NSCUHMNNSA-N -1 3 243.353 2.172 20 0 BEADHM Cc1co[n-]c1=NC(=O)c1ccc(C(C)C)cn1 ZINC000334149843 386749982 /nfs/dbraw/zinc/74/99/82/386749982.db2.gz IDFJZONGDUNREZ-UHFFFAOYSA-N -1 3 245.282 2.176 20 0 BEADHM CC1=C[C@H](C)CN(c2ccncc2C(=O)[O-])C1 ZINC000521442423 386744253 /nfs/dbraw/zinc/74/42/53/386744253.db2.gz DVUZOFNHPGTEBK-VIFPVBQESA-N -1 3 232.283 2.182 20 0 BEADHM C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000192899712 386773035 /nfs/dbraw/zinc/77/30/35/386773035.db2.gz MBLRQEKHHLSHLH-CABZTGNLSA-N -1 3 249.310 2.406 20 0 BEADHM CNc1ccccc1C(=O)Nc1ncccc1[O-] ZINC000341102405 386837172 /nfs/dbraw/zinc/83/71/72/386837172.db2.gz QUZFQRZWAQAWIW-UHFFFAOYSA-N -1 3 243.266 2.081 20 0 BEADHM O=[S@@](CCC1CC1)c1ccc([O-])cc1 ZINC000357838980 386853904 /nfs/dbraw/zinc/85/39/04/386853904.db2.gz NDTRTVFQTUDRQX-AWEZNQCLSA-N -1 3 210.298 2.300 20 0 BEADHM CC[C@@H](CNCc1c(F)ccc([O-])c1F)OC ZINC000293855082 386891299 /nfs/dbraw/zinc/89/12/99/386891299.db2.gz HYUCEQBWJIDYKS-QMMMGPOBSA-N -1 3 245.269 2.185 20 0 BEADHM CC(C)C1([N-]S(=O)(=O)c2cccs2)CC1 ZINC000293803557 386882217 /nfs/dbraw/zinc/88/22/17/386882217.db2.gz NORYXKSYHWUSAS-UHFFFAOYSA-N -1 3 245.369 2.215 20 0 BEADHM CC(C)C[C@H](C)CC(=O)Nc1ccncc1[O-] ZINC000330778518 386884571 /nfs/dbraw/zinc/88/45/71/386884571.db2.gz BMCMCVAACIMNBX-JTQLQIEISA-N -1 3 236.315 2.220 20 0 BEADHM CCOc1ccc(CC(=O)[N-]OCC2CC2)cc1 ZINC000293851713 386888702 /nfs/dbraw/zinc/88/87/02/386888702.db2.gz UZZYSUQXNSKBDH-UHFFFAOYSA-N -1 3 249.310 2.086 20 0 BEADHM C[C@@H](C(=O)NCc1ncccc1[O-])C(C)(C)C ZINC000331028229 386935984 /nfs/dbraw/zinc/93/59/84/386935984.db2.gz WOUHEIDIGRHNMM-VIFPVBQESA-N -1 3 236.315 2.086 20 0 BEADHM O=C(CC1=CCCCC1)NCc1ncccc1[O-] ZINC000331006624 386945601 /nfs/dbraw/zinc/94/56/01/386945601.db2.gz HQCIMIAYWMYQPH-UHFFFAOYSA-N -1 3 246.310 2.294 20 0 BEADHM CC[C@H]1CCCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762228 386957025 /nfs/dbraw/zinc/95/70/25/386957025.db2.gz VRKMWEAWAGNWFC-NSHDSACASA-N -1 3 248.326 2.402 20 0 BEADHM C[C@@]1(NC(=O)c2csc(=O)[n-]2)CC=CCC1 ZINC000333701990 387049964 /nfs/dbraw/zinc/04/99/64/387049964.db2.gz FCPXUMJZMPHNKB-LLVKDONJSA-N -1 3 238.312 2.077 20 0 BEADHM CC[C@@H](C)[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000334052791 387053506 /nfs/dbraw/zinc/05/35/06/387053506.db2.gz VZDZCFFCCBWBCM-RQJHMYQMSA-N -1 3 228.317 2.013 20 0 BEADHM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1c([O-])cccc1O ZINC000519106774 387011550 /nfs/dbraw/zinc/01/15/50/387011550.db2.gz ULIIAJXMMKAHEP-KXUCPTDWSA-N -1 3 247.294 2.016 20 0 BEADHM Cc1csc(S(=O)(=O)[N-]CC2(C)CC2)c1 ZINC000336267744 387101025 /nfs/dbraw/zinc/10/10/25/387101025.db2.gz OPOSUNXABUZYSR-UHFFFAOYSA-N -1 3 245.369 2.135 20 0 BEADHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(C)cs1 ZINC000336273780 387107122 /nfs/dbraw/zinc/10/71/22/387107122.db2.gz QQOIBYBFZCZBLM-MRVPVSSYSA-N -1 3 233.358 2.133 20 0 BEADHM CNC(=O)c1sc(-c2ccccc2[O-])nc1C ZINC000068945894 387110936 /nfs/dbraw/zinc/11/09/36/387110936.db2.gz JLYPZLQPXHMTNE-UHFFFAOYSA-N -1 3 248.307 2.184 20 0 BEADHM O=C(c1cccc([O-])c1)N1CCC(CF)CC1 ZINC000336284924 387118614 /nfs/dbraw/zinc/11/86/14/387118614.db2.gz GTLRHLABWYXDEL-UHFFFAOYSA-N -1 3 237.274 2.214 20 0 BEADHM CC(C)NC(=O)[C@H](C)[N-]c1nc2ccccc2o1 ZINC000229198164 387142563 /nfs/dbraw/zinc/14/25/63/387142563.db2.gz ZJLPECFBTZETIZ-VIFPVBQESA-N -1 3 247.298 2.153 20 0 BEADHM CN(Cc1ccc(C(=O)[O-])o1)[C@@H]1CC1(C)C ZINC000571691956 387144672 /nfs/dbraw/zinc/14/46/72/387144672.db2.gz VNCSWJQPQQQHLY-SNVBAGLBSA-N -1 3 223.272 2.208 20 0 BEADHM CSc1ccc([O-])c(C(=O)N2C[C@@H]3C[C@@H]3C2)c1 ZINC000628519661 387169338 /nfs/dbraw/zinc/16/93/38/387169338.db2.gz AROQPCLGWGQCFL-DTORHVGOSA-N -1 3 249.335 2.206 20 0 BEADHM COC[C@H](C)[C@H](C)C(=O)Nc1ccccc1[O-] ZINC000359912110 387191385 /nfs/dbraw/zinc/19/13/85/387191385.db2.gz MRKUFHZDQFDYOA-UWVGGRQHSA-N -1 3 237.299 2.249 20 0 BEADHM Cc1csc(S(=O)(=O)[N-][C@@H](C)C2CC2)c1 ZINC000336307322 387135522 /nfs/dbraw/zinc/13/55/22/387135522.db2.gz RWVPKSDTZPSVQZ-QMMMGPOBSA-N -1 3 245.369 2.133 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-]CC2(C)CCC2)o1 ZINC000336316075 387141302 /nfs/dbraw/zinc/14/13/02/387141302.db2.gz HCZADMYEIQICQK-UHFFFAOYSA-N -1 3 243.328 2.057 20 0 BEADHM COC(=O)c1cnc(SCc2ccccc2)[n-]1 ZINC000187596261 387204650 /nfs/dbraw/zinc/20/46/50/387204650.db2.gz CVSUIZPPPQWNFH-UHFFFAOYSA-N -1 3 248.307 2.489 20 0 BEADHM CCC[C@H]1C[C@H]1C(=O)N=c1[nH][n-]c(CC)c1C ZINC000360197335 387240041 /nfs/dbraw/zinc/24/00/41/387240041.db2.gz FKWPYMBKFICROQ-VHSXEESVSA-N -1 3 235.331 2.077 20 0 BEADHM CC(C)C[C@@H](C)C(=O)NCc1ncccc1[O-] ZINC000352509510 387269005 /nfs/dbraw/zinc/26/90/05/387269005.db2.gz PIUCMFKBALAVAD-SNVBAGLBSA-N -1 3 236.315 2.086 20 0 BEADHM Cc1ccc([O-])c(NC(=O)c2ccccc2)n1 ZINC000336447341 387275208 /nfs/dbraw/zinc/27/52/08/387275208.db2.gz MGVZXCZYVYPHTF-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM Cc1cc(C(=O)NCc2ccc([O-])c(F)c2)co1 ZINC000188780203 387291046 /nfs/dbraw/zinc/29/10/46/387291046.db2.gz VWMOPDZIMXTRDR-UHFFFAOYSA-N -1 3 249.241 2.363 20 0 BEADHM C[C@@H](CNC(=O)c1ccccc1[O-])CC(F)F ZINC000648470489 387358307 /nfs/dbraw/zinc/35/83/07/387358307.db2.gz QZDBLNHRGLUMLT-MRVPVSSYSA-N -1 3 243.253 2.413 20 0 BEADHM Nc1ccccc1CC(=O)Nc1ccccc1[O-] ZINC000336557017 387379621 /nfs/dbraw/zinc/37/96/21/387379621.db2.gz FSVBQTHFRDBCSW-UHFFFAOYSA-N -1 3 242.278 2.156 20 0 BEADHM COc1cc(C(=O)N[C@@H]2C=CCCC2)ccc1[O-] ZINC000336520523 387346838 /nfs/dbraw/zinc/34/68/38/387346838.db2.gz LHDVQLOGVUFGLC-LLVKDONJSA-N -1 3 247.294 2.239 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@]2(C)CCC[C@H]2C)c1C ZINC000515867368 387437153 /nfs/dbraw/zinc/43/71/53/387437153.db2.gz LAUNLKZBCQOVMF-OTYXRUKQSA-N -1 3 249.358 2.467 20 0 BEADHM Cc1cnccc1C(=O)Nc1cccc([O-])c1F ZINC000336588540 387414166 /nfs/dbraw/zinc/41/41/66/387414166.db2.gz GHMCYVXIAGOBIQ-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Cc1ccc([O-])c(CN(C)Cc2ccoc2)n1 ZINC000352652259 387415056 /nfs/dbraw/zinc/41/50/56/387415056.db2.gz MPFZTGSXZLZJGH-UHFFFAOYSA-N -1 3 232.283 2.321 20 0 BEADHM Cc1ccc(C(=O)NC(C)(C)CF)c([O-])c1 ZINC000336588310 387415233 /nfs/dbraw/zinc/41/52/33/387415233.db2.gz JYPGAQJWPQFNNT-UHFFFAOYSA-N -1 3 225.263 2.179 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC[C@H]3CCC[C@H]32)n1 ZINC000355156096 387488968 /nfs/dbraw/zinc/48/89/68/387488968.db2.gz ABNFHDROKHLMTF-ZYHUDNBSSA-N -1 3 247.342 2.119 20 0 BEADHM CCC1(NC(=O)c2ccccc2[O-])CC1 ZINC000295984314 387594136 /nfs/dbraw/zinc/59/41/36/387594136.db2.gz UDIWYQFUPAEFJV-UHFFFAOYSA-N -1 3 205.257 2.065 20 0 BEADHM CC1(CC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000430301728 387607953 /nfs/dbraw/zinc/60/79/53/387607953.db2.gz QTXGHKYGIKUEKJ-UHFFFAOYSA-N -1 3 237.274 2.338 20 0 BEADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C1CC1 ZINC000362007640 387561459 /nfs/dbraw/zinc/56/14/59/387561459.db2.gz BBSGSLKNYXSFTC-LBPRGKRZSA-N -1 3 231.295 2.407 20 0 BEADHM CC1(C)C(NC(=O)c2csc(=O)[n-]2)C1(C)C ZINC000527458229 387565143 /nfs/dbraw/zinc/56/51/43/387565143.db2.gz XVCKUECYEYJYEX-UHFFFAOYSA-N -1 3 240.328 2.013 20 0 BEADHM CC[C@@H](C)CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000422113632 387576123 /nfs/dbraw/zinc/57/61/23/387576123.db2.gz HXQXKBNUGMPUQB-SECBINFHSA-N -1 3 249.310 2.371 20 0 BEADHM CC[C@H]1CC[C@H](N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000431178328 387684459 /nfs/dbraw/zinc/68/44/59/387684459.db2.gz CXBBLAHOBVAEAR-MGCOHNPYSA-N -1 3 245.330 2.107 20 0 BEADHM CCC1(NC(=O)c2ccc([O-])c(OC)c2)CCC1 ZINC000442668205 387819224 /nfs/dbraw/zinc/81/92/24/387819224.db2.gz CRLPUOKHZZAVKO-UHFFFAOYSA-N -1 3 249.310 2.463 20 0 BEADHM CCc1ccc([O-])c(C(=O)NCc2ccoc2)c1 ZINC000195448611 387915913 /nfs/dbraw/zinc/91/59/13/387915913.db2.gz GLCPULAOKPUCKD-UHFFFAOYSA-N -1 3 245.278 2.478 20 0 BEADHM COc1cccc(C(=O)N[C@H]2C=CCCC2)c1[O-] ZINC000158509460 387954803 /nfs/dbraw/zinc/95/48/03/387954803.db2.gz GUSJOMWZPCIGFS-JTQLQIEISA-N -1 3 247.294 2.239 20 0 BEADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1cn[nH]c1 ZINC000225376340 387943162 /nfs/dbraw/zinc/94/31/62/387943162.db2.gz ATVRVFGNIXIFOZ-MRVPVSSYSA-N -1 3 235.262 2.105 20 0 BEADHM CC[C@H]([N-]S(=O)(=O)c1ccco1)C(C)(C)C ZINC000445750987 387963436 /nfs/dbraw/zinc/96/34/36/387963436.db2.gz LLTWWIAKMPFUOQ-VIFPVBQESA-N -1 3 245.344 2.383 20 0 BEADHM CC[C@@H]([N-]S(=O)(=O)c1ccco1)C(C)(C)C ZINC000445750986 387964359 /nfs/dbraw/zinc/96/43/59/387964359.db2.gz LLTWWIAKMPFUOQ-SECBINFHSA-N -1 3 245.344 2.383 20 0 BEADHM CC(C)OC(=O)c1nn[n-]c1-c1ccccc1 ZINC000438995478 387974026 /nfs/dbraw/zinc/97/40/26/387974026.db2.gz CCYRRLQIABQQBQ-UHFFFAOYSA-N -1 3 231.255 2.037 20 0 BEADHM CC(C)OC(=O)c1[n-]nnc1-c1ccccc1 ZINC000438995478 387974027 /nfs/dbraw/zinc/97/40/27/387974027.db2.gz CCYRRLQIABQQBQ-UHFFFAOYSA-N -1 3 231.255 2.037 20 0 BEADHM CC(C)OC(=O)c1n[n-]nc1-c1ccccc1 ZINC000438995478 387974038 /nfs/dbraw/zinc/97/40/38/387974038.db2.gz CCYRRLQIABQQBQ-UHFFFAOYSA-N -1 3 231.255 2.037 20 0 BEADHM CCC(CC)C(=O)Nc1ncccc1[O-] ZINC000082261161 388019256 /nfs/dbraw/zinc/01/92/56/388019256.db2.gz NWFLNTWHKKODTH-UHFFFAOYSA-N -1 3 208.261 2.162 20 0 BEADHM Cc1ccc([O-])c(NC(=O)c2ccnc(C)c2)n1 ZINC000447635458 388084876 /nfs/dbraw/zinc/08/48/76/388084876.db2.gz ARLRGQADMHFDMH-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)c1cccnc1 ZINC000085203674 388085217 /nfs/dbraw/zinc/08/52/17/388085217.db2.gz WPBFTPZUQLBDHK-UHFFFAOYSA-N -1 3 232.214 2.179 20 0 BEADHM Cc1cccnc1C(=O)Nc1ccc([O-])cc1F ZINC000085203821 388085512 /nfs/dbraw/zinc/08/55/12/388085512.db2.gz VNNLTESTOVPDAA-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM CC1(CNC(=O)c2ccc(O)cc2[O-])CCCC1 ZINC000108752479 388047278 /nfs/dbraw/zinc/04/72/78/388047278.db2.gz ISHUWVCOGNVCAJ-UHFFFAOYSA-N -1 3 249.310 2.408 20 0 BEADHM O=C(c1ccccc1[O-])N1CC[C@H]1C(F)(F)F ZINC000646283043 388175629 /nfs/dbraw/zinc/17/56/29/388175629.db2.gz BAQROYFRWYUWIW-VIFPVBQESA-N -1 3 245.200 2.169 20 0 BEADHM C[C@@H]1CCCCN1C(=O)/C=C/c1cncc([O-])c1 ZINC000179386499 256513270 /nfs/dbraw/zinc/51/32/70/256513270.db2.gz DKJSUXTYHONXEZ-MVIFTORASA-N -1 3 246.310 2.201 20 0 BEADHM Cc1cc(C(=O)NC[C@@H]2C[C@H]2C2CC2)ccc1[O-] ZINC000456892365 388231783 /nfs/dbraw/zinc/23/17/83/388231783.db2.gz ZHXZXKZGXYZNPC-STQMWFEESA-N -1 3 245.322 2.477 20 0 BEADHM O=C(/C=C\c1ccncc1)[N-]OC1CCCC1 ZINC000492324917 388341689 /nfs/dbraw/zinc/34/16/89/388341689.db2.gz SENOPLPIICJALY-WAYWQWQTSA-N -1 3 232.283 2.085 20 0 BEADHM O=C(/C=C/c1ccncc1)[N-]OC1CCCC1 ZINC000492324916 388341697 /nfs/dbraw/zinc/34/16/97/388341697.db2.gz SENOPLPIICJALY-AATRIKPKSA-N -1 3 232.283 2.085 20 0 BEADHM C[C@@H]1CCC[C@@H]1NC(=O)/C=C/c1cncc([O-])c1 ZINC000492381100 388343090 /nfs/dbraw/zinc/34/30/90/388343090.db2.gz BDWINLUCGLFOHE-ZWXQHPBJSA-N -1 3 246.310 2.105 20 0 BEADHM CC(C)[C@H](C)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000492391683 388343226 /nfs/dbraw/zinc/34/32/26/388343226.db2.gz BKJVDOLVLFRKKY-QRGHLMKCSA-N -1 3 248.326 2.303 20 0 BEADHM C[C@@H](CO)[C@@H](C)NCc1cccc([O-])c1Cl ZINC000293652807 388356318 /nfs/dbraw/zinc/35/63/18/388356318.db2.gz SPUSQFJEUSFGGL-DTWKUNHWSA-N -1 3 243.734 2.152 20 0 BEADHM C[C@@]1(NCc2cccc([O-])c2Cl)CCOC1 ZINC000293370613 388387642 /nfs/dbraw/zinc/38/76/42/388387642.db2.gz VHQQWFQLSQWBHK-GFCCVEGCSA-N -1 3 241.718 2.314 20 0 BEADHM O=C(NC1CC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646583060 388389915 /nfs/dbraw/zinc/38/99/15/388389915.db2.gz QTHLXMFLUGJAHK-UHFFFAOYSA-N -1 3 245.200 2.303 20 0 BEADHM CCOc1ccc(CC(=O)[N-]OC(C)C)cc1 ZINC000294062154 388394011 /nfs/dbraw/zinc/39/40/11/388394011.db2.gz KDGOUUUPDSTODE-UHFFFAOYSA-N -1 3 237.299 2.084 20 0 BEADHM CC[C@@](C)(CNc1ccncc1C(=O)[O-])OC ZINC000322609630 388441124 /nfs/dbraw/zinc/44/11/24/388441124.db2.gz KMFAQPFBIBCPPU-LBPRGKRZSA-N -1 3 238.287 2.007 20 0 BEADHM C[C@]1(C(=O)Nc2ccc([O-])cc2F)C[C@H]1F ZINC000335652446 388452939 /nfs/dbraw/zinc/45/29/39/388452939.db2.gz DGRWSNKTDZCTBB-KOLCDFICSA-N -1 3 227.210 2.218 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@]2(C)CCC[C@H]2C)c1C ZINC000515867372 256757940 /nfs/dbraw/zinc/75/79/40/256757940.db2.gz LAUNLKZBCQOVMF-YMTOWFKASA-N -1 3 249.358 2.467 20 0 BEADHM CC(=O)CN(C(=O)c1cc(C)ccc1[O-])C(C)C ZINC000633225338 388419528 /nfs/dbraw/zinc/41/95/28/388419528.db2.gz WNTYBLXSAPZODJ-UHFFFAOYSA-N -1 3 249.310 2.140 20 0 BEADHM COCC1(NCc2cccc([O-])c2Cl)CC1 ZINC000378701220 388483347 /nfs/dbraw/zinc/48/33/47/388483347.db2.gz JUEDBFNLQACNQM-UHFFFAOYSA-N -1 3 241.718 2.314 20 0 BEADHM CC(C)=CCCNC(=O)c1ccccc1[O-] ZINC000397737181 388495753 /nfs/dbraw/zinc/49/57/53/388495753.db2.gz GOKXFGVCIAMHPY-UHFFFAOYSA-N -1 3 219.284 2.478 20 0 BEADHM CN(Cc1cccc([O-])c1Cl)[C@H]1CCOC1 ZINC000328195095 388586104 /nfs/dbraw/zinc/58/61/04/388586104.db2.gz DUCXSOLOBXHAAQ-JTQLQIEISA-N -1 3 241.718 2.266 20 0 BEADHM O=C(N[C@H]1CC=CCC1)c1ccccc1[O-] ZINC000080110357 388553034 /nfs/dbraw/zinc/55/30/34/388553034.db2.gz SHACGYURMKANLH-JTQLQIEISA-N -1 3 217.268 2.231 20 0 BEADHM C[C@@H](c1cnccn1)[S@@](=O)c1ccc([O-])cc1 ZINC000184831186 388583288 /nfs/dbraw/zinc/58/32/88/388583288.db2.gz NZQBNXPMFWZSQC-HUTHGQBESA-N -1 3 248.307 2.051 20 0 BEADHM O=C([O-])[C@@H](C1CC1)N1CCc2ccc(F)cc2C1 ZINC000522007333 388673669 /nfs/dbraw/zinc/67/36/69/388673669.db2.gz FBWRTZDDOZOZEZ-CYBMUJFWSA-N -1 3 249.285 2.047 20 0 BEADHM CN(CC1CCCC1)C(=O)c1c([O-])cccc1O ZINC000125745563 388675969 /nfs/dbraw/zinc/67/59/69/388675969.db2.gz QUUHBDAHHMLLRC-UHFFFAOYSA-N -1 3 249.310 2.360 20 0 BEADHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C/C=C/Cl ZINC000530177030 388621611 /nfs/dbraw/zinc/62/16/11/388621611.db2.gz WDJHCGOFXATWTO-HUGTUPKYSA-N -1 3 231.723 2.313 20 0 BEADHM CO[C@@H]1CCN(Cc2cccc([O-])c2Cl)C1 ZINC000328435457 388643401 /nfs/dbraw/zinc/64/34/01/388643401.db2.gz BXLKMBCAIDUFJV-SNVBAGLBSA-N -1 3 241.718 2.266 20 0 BEADHM O=C(Nc1ncccc1[O-])[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000613425936 388685778 /nfs/dbraw/zinc/68/57/78/388685778.db2.gz FEYVDZCECVASNT-BBBLOLIVSA-N -1 3 232.283 2.162 20 0 BEADHM CC[C@H](C)CC(=O)N=c1cc2ccccn2[n-]1 ZINC000553001606 388743990 /nfs/dbraw/zinc/74/39/90/388743990.db2.gz GNKWOGSNQPAGGH-JTQLQIEISA-N -1 3 231.299 2.131 20 0 BEADHM CCC[C@H](CC)NC(=O)c1ccc2n[n-]nc2c1 ZINC000195148926 388698380 /nfs/dbraw/zinc/69/83/80/388698380.db2.gz LCQXLVKZHOGAGA-JTQLQIEISA-N -1 3 246.314 2.266 20 0 BEADHM Cc1cccc(C(=O)NC[C@@H]2CC2(C)C)c1[O-] ZINC000226259947 388712948 /nfs/dbraw/zinc/71/29/48/388712948.db2.gz WGIVTUFBYGUILX-JTQLQIEISA-N -1 3 233.311 2.477 20 0 BEADHM COc1ccc(C(=O)NC[C@H]2CC2(C)C)c([O-])c1 ZINC000226260018 388713526 /nfs/dbraw/zinc/71/35/26/388713526.db2.gz CKMPFYSLOLPXLL-SECBINFHSA-N -1 3 249.310 2.177 20 0 BEADHM Cc1ccc(CC(=O)Nc2ncccc2[O-])s1 ZINC000067286792 388731697 /nfs/dbraw/zinc/73/16/97/388731697.db2.gz CTDPURADZDHZQF-UHFFFAOYSA-N -1 3 248.307 2.338 20 0 BEADHM CCC1(C(=O)N=c2cc3ccccn3[n-]2)CCC1 ZINC000553325531 388763562 /nfs/dbraw/zinc/76/35/62/388763562.db2.gz BTQOSINOCBFBKQ-UHFFFAOYSA-N -1 3 243.310 2.275 20 0 BEADHM CCC[C@@](C)(O)C(=O)Nc1cccc([O-])c1F ZINC000128696258 388787516 /nfs/dbraw/zinc/78/75/16/388787516.db2.gz AILIVFGEPYIMFG-GFCCVEGCSA-N -1 3 241.262 2.021 20 0 BEADHM CC(C)OCCC(=O)Nc1cccc([O-])c1F ZINC000129288363 388830282 /nfs/dbraw/zinc/83/02/82/388830282.db2.gz SVNQWWKWUVJOJY-UHFFFAOYSA-N -1 3 241.262 2.285 20 0 BEADHM C[C@H](CC(F)(F)F)NC(=O)c1ccccc1[O-] ZINC000231752696 388840868 /nfs/dbraw/zinc/84/08/68/388840868.db2.gz LRSOYPHKKQECCD-SSDOTTSWSA-N -1 3 247.216 2.463 20 0 BEADHM CC[C@H](C)CNC(=O)c1ccc([O-])c(C)c1 ZINC000232385615 388849549 /nfs/dbraw/zinc/84/95/49/388849549.db2.gz PUHNWSMMJJBHEE-VIFPVBQESA-N -1 3 221.300 2.477 20 0 BEADHM COC1(C)CCN(C(=O)c2ccccc2[O-])CC1 ZINC000271734919 389022802 /nfs/dbraw/zinc/02/28/02/389022802.db2.gz NQIWGKVTHVLKKD-UHFFFAOYSA-N -1 3 249.310 2.033 20 0 BEADHM CSCCO[N-]C(=O)/C=C\c1ccsc1 ZINC000493715671 533582845 /nfs/dbraw/zinc/58/28/45/533582845.db2.gz CKYMXSCNYZFZDD-IHWYPQMZSA-N -1 3 243.353 2.172 20 0 BEADHM Cc1ccc(C(=O)NCC(C)(C)C)c([O-])c1 ZINC000040494919 322832834 /nfs/dbraw/zinc/83/28/34/322832834.db2.gz BMAXUGSWEVDBOQ-UHFFFAOYSA-N -1 3 221.300 2.477 20 0 BEADHM CCO[C@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000272590514 132200700 /nfs/dbraw/zinc/20/07/00/132200700.db2.gz XDURMLYGUQHXOS-SNVBAGLBSA-N -1 3 249.310 2.096 20 0 BEADHM Cc1ccc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)o1 ZINC000335443300 133847223 /nfs/dbraw/zinc/84/72/23/133847223.db2.gz NDEXVQFESADMFH-CABZTGNLSA-N -1 3 237.299 2.131 20 0 BEADHM CCC1([N-]S(=O)(=O)c2ccc(C)o2)CCC1 ZINC000335951091 134021719 /nfs/dbraw/zinc/02/17/19/134021719.db2.gz KLUZRXIQPXMVHC-UHFFFAOYSA-N -1 3 243.328 2.199 20 0 BEADHM CN(Cc1cccn1C)C(=O)c1cccc([O-])c1 ZINC000335972197 134030211 /nfs/dbraw/zinc/03/02/11/134030211.db2.gz YJQWVQYBAQLDAO-UHFFFAOYSA-N -1 3 244.294 2.003 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CC[C@](C)(F)C2)c1 ZINC000336156114 134106370 /nfs/dbraw/zinc/10/63/70/134106370.db2.gz JULFQQXPMOLIEV-ZDUSSCGKSA-N -1 3 237.274 2.275 20 0 BEADHM COc1ccc(C(=O)N2[C@H](C)C[C@H]2C)c([O-])c1 ZINC000336157569 134106733 /nfs/dbraw/zinc/10/67/33/134106733.db2.gz KOZPCQZXZZZMMW-RKDXNWHRSA-N -1 3 235.283 2.024 20 0 BEADHM CC[C@@H]1CCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000336157818 134106868 /nfs/dbraw/zinc/10/68/68/134106868.db2.gz QVZXYDIESMLWJT-SNVBAGLBSA-N -1 3 235.283 2.025 20 0 BEADHM O=C(c1ccc(O)cc1[O-])N1CCCC12CCC2 ZINC000336184100 134120687 /nfs/dbraw/zinc/12/06/87/134120687.db2.gz FFNQBMBGHLCIJC-UHFFFAOYSA-N -1 3 247.294 2.257 20 0 BEADHM CC(=O)c1[n-]c(=NC2CCC2)sc1C ZINC000336190499 134123413 /nfs/dbraw/zinc/12/34/13/134123413.db2.gz NDXZSYHLLUFWGD-UHFFFAOYSA-N -1 3 210.302 2.040 20 0 BEADHM C[C@@H]1CN(Cc2cc([O-])cc(F)c2)C[C@@H](C)O1 ZINC000184147794 134358871 /nfs/dbraw/zinc/35/88/71/134358871.db2.gz AQGHBPSSQFBACY-NXEZZACHSA-N -1 3 239.290 2.141 20 0 BEADHM Cc1cc(C(=O)Nc2ccccn2)ccc1[O-] ZINC000226714619 134371108 /nfs/dbraw/zinc/37/11/08/134371108.db2.gz QKHADTBXJXSQPN-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM Cc1cc(C(=O)NCc2cscn2)ccc1[O-] ZINC000227023986 134373876 /nfs/dbraw/zinc/37/38/76/134373876.db2.gz ABAZPYIHCZUWJL-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM Cc1cc(-c2nc(-c3ccc([O-])cc3)no2)on1 ZINC000044586571 322842477 /nfs/dbraw/zinc/84/24/77/322842477.db2.gz TUBOETHWEBNIIB-UHFFFAOYSA-N -1 3 243.222 2.406 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC[C@H](C)[C@H]2CC)n1 ZINC000249440097 135039314 /nfs/dbraw/zinc/03/93/14/135039314.db2.gz LVPYMOQKYKJYMJ-CMPLNLGQSA-N -1 3 249.358 2.365 20 0 BEADHM C[C@@H]1C[C@H](C)CN1C(=O)c1cccc([O-])c1 ZINC000163676512 135044450 /nfs/dbraw/zinc/04/44/50/135044450.db2.gz VEOAJHZESWFBNE-VHSXEESVSA-N -1 3 219.284 2.263 20 0 BEADHM Cc1cccc2c1ncc(C)c2N(C)CC(=O)[O-] ZINC000263399528 135351168 /nfs/dbraw/zinc/35/11/68/135351168.db2.gz ILHBKUCKEIFTLU-UHFFFAOYSA-N -1 3 244.294 2.372 20 0 BEADHM Cc1nc2ccccc2c(N(C)CC(=O)[O-])c1C ZINC000263444330 135355137 /nfs/dbraw/zinc/35/51/37/135355137.db2.gz YCPKXSJVMLYKBC-UHFFFAOYSA-N -1 3 244.294 2.372 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC2(C)C)o1 ZINC000334376744 135378310 /nfs/dbraw/zinc/37/83/10/135378310.db2.gz VYLWPZMQWIANKB-VIFPVBQESA-N -1 3 243.328 2.055 20 0 BEADHM C[C@]1(C(=O)Nc2ccccc2[O-])CCCCO1 ZINC000334551030 135691452 /nfs/dbraw/zinc/69/14/52/135691452.db2.gz WCUDSRGNRQULCO-CYBMUJFWSA-N -1 3 235.283 2.290 20 0 BEADHM CC[C@@H](NC(=O)c1cccc([O-])c1)C(F)(F)F ZINC000348066994 136025958 /nfs/dbraw/zinc/02/59/58/136025958.db2.gz HUSLJNCQGIKLJK-SECBINFHSA-N -1 3 247.216 2.463 20 0 BEADHM Cc1ccc(C(=O)N2CCC23CCC3)c([O-])c1 ZINC000335384294 136088492 /nfs/dbraw/zinc/08/84/92/136088492.db2.gz PMAMJPHNFYBCAT-UHFFFAOYSA-N -1 3 231.295 2.469 20 0 BEADHM O=C(NC1(CF)CCC1)c1cccc([O-])c1 ZINC000335560325 136105788 /nfs/dbraw/zinc/10/57/88/136105788.db2.gz SWXZUPQRFRZMRK-UHFFFAOYSA-N -1 3 223.247 2.014 20 0 BEADHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000188594144 397827935 /nfs/dbraw/zinc/82/79/35/397827935.db2.gz BJLXUGLRVFXZKT-VHSXEESVSA-N -1 3 243.328 2.137 20 0 BEADHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000188594098 397828313 /nfs/dbraw/zinc/82/83/13/397828313.db2.gz BJLXUGLRVFXZKT-UWVGGRQHSA-N -1 3 243.328 2.137 20 0 BEADHM CCOC([O-])=NOC[C@@H](C)CC(C)C ZINC000497312779 397880082 /nfs/dbraw/zinc/88/00/82/397880082.db2.gz JDHWHDWVUGUXQP-VIFPVBQESA-N -1 3 203.282 2.346 20 0 BEADHM CCOC(=O)[N-]OC[C@@H](C)CC(C)C ZINC000497312779 397880086 /nfs/dbraw/zinc/88/00/86/397880086.db2.gz JDHWHDWVUGUXQP-VIFPVBQESA-N -1 3 203.282 2.346 20 0 BEADHM CCO[N-]C(=O)C[C@H]1CCc2ccccc2C1 ZINC000264921063 397929704 /nfs/dbraw/zinc/92/97/04/397929704.db2.gz MHMSTAWKEGMJNY-NSHDSACASA-N -1 3 233.311 2.249 20 0 BEADHM CC[C@@H](CO)N(C)Cc1cc([O-])ccc1Cl ZINC000625449493 398083252 /nfs/dbraw/zinc/08/32/52/398083252.db2.gz CMYPUMONWHBHFA-JTQLQIEISA-N -1 3 243.734 2.248 20 0 BEADHM CC(C)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000037182878 167137207 /nfs/dbraw/zinc/13/72/07/167137207.db2.gz VJKUREUYIQXXRU-JTQLQIEISA-N -1 3 229.226 2.089 20 0 BEADHM Cc1cc(C(=O)Nc2nc(C)ccc2[O-])c(C)[nH]1 ZINC000680320677 487560488 /nfs/dbraw/zinc/56/04/88/487560488.db2.gz CSAYRMGRYURKNY-UHFFFAOYSA-N -1 3 245.282 2.293 20 0 BEADHM CC(C)OCCNCc1c(F)ccc([O-])c1F ZINC000293684881 167242722 /nfs/dbraw/zinc/24/27/22/167242722.db2.gz RTEGTJVQBAHIEM-UHFFFAOYSA-N -1 3 245.269 2.185 20 0 BEADHM CC(C)ON=C([O-])Nc1ccc(F)cc1 ZINC000294222425 167277218 /nfs/dbraw/zinc/27/72/18/167277218.db2.gz UXNXLXPVKVCXHF-UHFFFAOYSA-N -1 3 212.224 2.287 20 0 BEADHM CC(C)O[N-]C(=O)Nc1ccc(F)cc1 ZINC000294222425 167277221 /nfs/dbraw/zinc/27/72/21/167277221.db2.gz UXNXLXPVKVCXHF-UHFFFAOYSA-N -1 3 212.224 2.287 20 0 BEADHM CN(Cc1n[n-]c(=O)o1)CC1CCCCCC1 ZINC000660845739 409849750 /nfs/dbraw/zinc/84/97/50/409849750.db2.gz TTYPJKXXVKWNME-UHFFFAOYSA-N -1 3 239.319 2.177 20 0 BEADHM C[C@H](CN(C)Cc1n[n-]c(=O)o1)c1ccccc1 ZINC000660850791 409867086 /nfs/dbraw/zinc/86/70/86/409867086.db2.gz YFFLPWHZDUTSDX-SNVBAGLBSA-N -1 3 247.298 2.011 20 0 BEADHM CC12CC(C1)CN2Cc1csc(C(=O)[O-])c1 ZINC000663315954 410109722 /nfs/dbraw/zinc/10/97/22/410109722.db2.gz QMOLBGURQPPSGG-UHFFFAOYSA-N -1 3 237.324 2.431 20 0 BEADHM Cc1cc(COc2ccc3c([O-])coc3c2)on1 ZINC000057524057 410178957 /nfs/dbraw/zinc/17/89/57/410178957.db2.gz PBONEDYSTCYTGP-UHFFFAOYSA-N -1 3 245.234 2.137 20 0 BEADHM CC(C)(C)/C=C/C(=O)[N-]O[C@@H]1CCCCO1 ZINC000264609479 166517392 /nfs/dbraw/zinc/51/73/92/166517392.db2.gz HOGXAQFZWXEXPS-WSKFYRRCSA-N -1 3 227.304 2.163 20 0 BEADHM CC(C)ON=C([O-])Nc1ccccc1F ZINC000294083639 167275547 /nfs/dbraw/zinc/27/55/47/167275547.db2.gz LOKBUYIMPLDUPG-UHFFFAOYSA-N -1 3 212.224 2.287 20 0 BEADHM CC(C)O[N-]C(=O)Nc1ccccc1F ZINC000294083639 167275548 /nfs/dbraw/zinc/27/55/48/167275548.db2.gz LOKBUYIMPLDUPG-UHFFFAOYSA-N -1 3 212.224 2.287 20 0 BEADHM CC(C)O[N-]C(=O)Cc1cnc2ccccc2c1 ZINC000297173447 167276330 /nfs/dbraw/zinc/27/63/30/167276330.db2.gz KMRAPBAFNBAFMB-UHFFFAOYSA-N -1 3 244.294 2.234 20 0 BEADHM CC(C)O[N-]C(=O)CCc1ccsc1 ZINC000295753851 167276582 /nfs/dbraw/zinc/27/65/82/167276582.db2.gz UZUUFXJVGBPEJX-UHFFFAOYSA-N -1 3 213.302 2.137 20 0 BEADHM CC(C)c1cnc(CNC[C@@H](C)C(=O)[O-])s1 ZINC000656095002 411176210 /nfs/dbraw/zinc/17/62/10/411176210.db2.gz FNYLNZRRTZMSHJ-MRVPVSSYSA-N -1 3 242.344 2.077 20 0 BEADHM Cc1nc(C(C)C)ccc1CN(C)CC(=O)[O-] ZINC000652456374 411246947 /nfs/dbraw/zinc/24/69/47/411246947.db2.gz XGFWDTGEACSKFY-UHFFFAOYSA-N -1 3 236.315 2.030 20 0 BEADHM CCCN(C)[C@H](C(=O)[O-])c1ccccc1F ZINC000652386709 411224351 /nfs/dbraw/zinc/22/43/51/411224351.db2.gz FPKOQGNDYFEUPJ-NSHDSACASA-N -1 3 225.263 2.293 20 0 BEADHM O=C(c1ccc(O)cc1[O-])N1CCC12CCCC2 ZINC000652572021 411277815 /nfs/dbraw/zinc/27/78/15/411277815.db2.gz 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487638914 /nfs/dbraw/zinc/63/89/14/487638914.db2.gz CROBXVYDAHUMKZ-UHFFFAOYSA-N -1 3 248.282 2.124 20 0 BEADHM O=C(/C=C\c1cncc([O-])c1)N[C@@H]1CC=CCC1 ZINC000492474783 226005102 /nfs/dbraw/zinc/00/51/02/226005102.db2.gz PDONJOJEFWBCBY-ZHRWSRJISA-N -1 3 244.294 2.025 20 0 BEADHM O=C(/C=C/c1ccccc1)[N-]OCC(F)F ZINC000492601680 226025032 /nfs/dbraw/zinc/02/50/32/226025032.db2.gz FGZWKSSMWPUKLJ-VOTSOKGWSA-N -1 3 227.210 2.013 20 0 BEADHM O=C(/C=C/C1CCCC1)[N-]O[C@@H]1CCCCO1 ZINC000493152471 226140826 /nfs/dbraw/zinc/14/08/26/226140826.db2.gz AXNTWUGZIJSRPO-MMQHEFTJSA-N -1 3 239.315 2.307 20 0 BEADHM Cc1ccc(NC([O-])=NOCC(C)C)nc1 ZINC000273097900 487653574 /nfs/dbraw/zinc/65/35/74/487653574.db2.gz JWDLQBDCRFFYPW-UHFFFAOYSA-N -1 3 223.276 2.099 20 0 BEADHM Cc1ccc(NC(=O)[N-]OCC(C)C)nc1 ZINC000273097900 487653579 /nfs/dbraw/zinc/65/35/79/487653579.db2.gz JWDLQBDCRFFYPW-UHFFFAOYSA-N -1 3 223.276 2.099 20 0 BEADHM COC[C@@H](C)Cc1noc(-c2ccccc2[O-])n1 ZINC000351453789 487665421 /nfs/dbraw/zinc/66/54/21/487665421.db2.gz SIFNNUVLAPAHGX-VIFPVBQESA-N -1 3 248.282 2.267 20 0 BEADHM CC1(C(=O)N=c2cc3ccccn3[n-]2)CCCC1 ZINC000557533817 322938934 /nfs/dbraw/zinc/93/89/34/322938934.db2.gz OVCOHDWCRRTZGI-UHFFFAOYSA-N -1 3 243.310 2.275 20 0 BEADHM CC(C)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000087612203 487670380 /nfs/dbraw/zinc/67/03/80/487670380.db2.gz MFGUWIKDZHCWEE-ZDUSSCGKSA-N -1 3 233.311 2.326 20 0 BEADHM O=C([O-])[C@@H]1CN(CC2CCC2)Cc2ccccc21 ZINC000088133832 487706466 /nfs/dbraw/zinc/70/64/66/487706466.db2.gz RUYWACAHKJFVOC-CQSZACIVSA-N -1 3 245.322 2.471 20 0 BEADHM CC(C)CCN(C)Cc1occc1C(=O)[O-] ZINC000042308482 487713463 /nfs/dbraw/zinc/71/34/63/487713463.db2.gz DVSKJYRANITYIU-UHFFFAOYSA-N -1 3 225.288 2.456 20 0 BEADHM CC(C)c1ccc2c(c1)CN(CC(=O)[O-])CC2 ZINC000082791332 487734384 /nfs/dbraw/zinc/73/43/84/487734384.db2.gz OEPUCXZZZKWZAE-UHFFFAOYSA-N -1 3 233.311 2.253 20 0 BEADHM Cc1nsc([N-]C(=O)c2occ3c2CCC3)n1 ZINC000671747656 487739968 /nfs/dbraw/zinc/73/99/68/487739968.db2.gz IIBOGBAMCFGHPA-UHFFFAOYSA-N -1 3 249.295 2.181 20 0 BEADHM Cc1ccc(C(=O)N2CC(C)(C)C2)c([O-])c1C ZINC000684084293 487759982 /nfs/dbraw/zinc/75/99/82/487759982.db2.gz RWNDGPKYCDVSRN-UHFFFAOYSA-N -1 3 233.311 2.491 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CC(C(F)F)C2)c1 ZINC000676203125 487820714 /nfs/dbraw/zinc/82/07/14/487820714.db2.gz PSMQFAGOMCHHAI-UHFFFAOYSA-N -1 3 241.237 2.038 20 0 BEADHM O=C([N-]OCC(F)F)[C@H]1CCCC(F)(F)C1 ZINC000800535972 586225077 /nfs/dbraw/zinc/22/50/77/586225077.db2.gz KRVFISIGIIAZEI-LURJTMIESA-N -1 3 243.200 2.125 20 0 BEADHM [O-]C(=NOC1CCC1)Nc1ccsc1 ZINC000836449579 587833426 /nfs/dbraw/zinc/83/34/26/587833426.db2.gz BFXTZTZZZAAMMX-UHFFFAOYSA-N -1 3 212.274 2.354 20 0 BEADHM O=C([N-]OC1CCC1)Nc1ccsc1 ZINC000836449579 587833427 /nfs/dbraw/zinc/83/34/27/587833427.db2.gz BFXTZTZZZAAMMX-UHFFFAOYSA-N -1 3 212.274 2.354 20 0 BEADHM C[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1F ZINC000679263828 487844544 /nfs/dbraw/zinc/84/45/44/487844544.db2.gz USPBTPLHLOHGKC-KOLCDFICSA-N -1 3 237.274 2.212 20 0 BEADHM Cc1ccc(CN2CCC[C@](C)(C(=O)[O-])C2)nc1 ZINC000156663332 487844074 /nfs/dbraw/zinc/84/40/74/487844074.db2.gz NYTDVCBFZMQSFD-AWEZNQCLSA-N -1 3 248.326 2.077 20 0 BEADHM CCC(CC)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000558463492 322950584 /nfs/dbraw/zinc/95/05/84/322950584.db2.gz IHCMBGCPJMIEKQ-UHFFFAOYSA-N -1 3 246.314 2.066 20 0 BEADHM CC1(C)C[C@H]1c1nc2cccnc2c(=O)[n-]1 ZINC000416413164 487900129 /nfs/dbraw/zinc/90/01/29/487900129.db2.gz OTFXUVMLINWBPR-ZETCQYMHSA-N -1 3 215.256 2.244 20 0 BEADHM C[C@@H]1C[C@@H](C)CN(c2ccncc2C(=O)[O-])C1 ZINC000125909850 487933913 /nfs/dbraw/zinc/93/39/13/487933913.db2.gz CODITQJCMXIYLL-NXEZZACHSA-N -1 3 234.299 2.262 20 0 BEADHM COc1cc(C(=O)N2CC(C(C)C)C2)ccc1[O-] ZINC000682361592 487938978 /nfs/dbraw/zinc/93/89/78/487938978.db2.gz CRPIRUCHTPSYEM-UHFFFAOYSA-N -1 3 249.310 2.129 20 0 BEADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000235325897 487942985 /nfs/dbraw/zinc/94/29/85/487942985.db2.gz ZMOVRMRBUMDRQJ-SECBINFHSA-N -1 3 237.274 2.366 20 0 BEADHM CC(C)N(Cc1occc1C(=O)[O-])C1CC1 ZINC000652403592 487944904 /nfs/dbraw/zinc/94/49/04/487944904.db2.gz YMTITNQWXZEIBM-UHFFFAOYSA-N -1 3 223.272 2.351 20 0 BEADHM CCc1cc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)ccn1 ZINC000307775696 487945048 /nfs/dbraw/zinc/94/50/48/487945048.db2.gz HDBDQVYGBZKCIV-MFKMUULPSA-N -1 3 248.326 2.191 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)C23CCC(CC2)C3)c1C ZINC000561868850 323008297 /nfs/dbraw/zinc/00/82/97/323008297.db2.gz SBZZFISHLZHUFJ-UHFFFAOYSA-N -1 3 247.342 2.221 20 0 BEADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000135629860 323029994 /nfs/dbraw/zinc/02/99/94/323029994.db2.gz GFYJBIXPFSGQIT-PRHODGIISA-N -1 3 220.272 2.162 20 0 BEADHM [O-]c1cccnc1CN1CCc2ccccc2C1 ZINC000569650272 323035589 /nfs/dbraw/zinc/03/55/89/323035589.db2.gz XJFDPNVXBQXCHZ-UHFFFAOYSA-N -1 3 240.306 2.346 20 0 BEADHM C[C@@H]1CC[C@H](C)N1C(=O)/C=C/c1cncc([O-])c1 ZINC000182101665 323081914 /nfs/dbraw/zinc/08/19/14/323081914.db2.gz FFPNFEUKKJMEFU-SKUMGHAQSA-N -1 3 246.310 2.200 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@H]2CC23CCCC3)c1C ZINC000531801777 323114170 /nfs/dbraw/zinc/11/41/70/323114170.db2.gz FBUYGGZOGBRDST-SNVBAGLBSA-N -1 3 247.342 2.221 20 0 BEADHM O=C(Nc1ncccc1[O-])[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000567462109 323133584 /nfs/dbraw/zinc/13/35/84/323133584.db2.gz CBXKYLOHHLOTDI-AEJSXWLSSA-N -1 3 232.283 2.162 20 0 BEADHM C[C@H](NCc1ncccc1[O-])c1cccnc1 ZINC000563654770 323133873 /nfs/dbraw/zinc/13/38/73/323133873.db2.gz GQOJIACOGRLTAM-JTQLQIEISA-N -1 3 229.283 2.033 20 0 BEADHM Cc1ccc(C(=O)Nc2nncs2)c([O-])c1C ZINC000048546560 323154039 /nfs/dbraw/zinc/15/40/39/323154039.db2.gz OFHHJDJEZUIADK-UHFFFAOYSA-N -1 3 249.295 2.113 20 0 BEADHM Cc1ccc(C(=O)NC[C@@H]2C[C@H]2C)c([O-])c1C ZINC000049249899 323159392 /nfs/dbraw/zinc/15/93/92/323159392.db2.gz JJQKFTJBRFDSNQ-KOLCDFICSA-N -1 3 233.311 2.395 20 0 BEADHM CC[C@@H](OC)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000049449109 323161010 /nfs/dbraw/zinc/16/10/10/323161010.db2.gz BDPBERVTKKDSAS-SNVBAGLBSA-N -1 3 243.690 2.409 20 0 BEADHM CN(CC(C)(C)C)C(=O)c1cccc2[n-]nnc21 ZINC000525863777 323179599 /nfs/dbraw/zinc/17/95/99/323179599.db2.gz KTWUTCMKCMXXAV-UHFFFAOYSA-N -1 3 246.314 2.076 20 0 BEADHM CN(CC(C)(C)C)C(=O)c1cccc2nn[n-]c21 ZINC000525863777 323179600 /nfs/dbraw/zinc/17/96/00/323179600.db2.gz KTWUTCMKCMXXAV-UHFFFAOYSA-N -1 3 246.314 2.076 20 0 BEADHM CN(CC(C)(C)C)C(=O)c1cccc2n[n-]nc21 ZINC000525863777 323179601 /nfs/dbraw/zinc/17/96/01/323179601.db2.gz KTWUTCMKCMXXAV-UHFFFAOYSA-N -1 3 246.314 2.076 20 0 BEADHM CCCn1c(=O)[n-]nc1SCCC1CC1 ZINC000358861531 323353052 /nfs/dbraw/zinc/35/30/52/323353052.db2.gz SBWBUXVWEMNLQO-UHFFFAOYSA-N -1 3 227.333 2.286 20 0 BEADHM CCc1cccc(C(=O)NCC2(C)CC2)c1[O-] ZINC000537673364 324094799 /nfs/dbraw/zinc/09/47/99/324094799.db2.gz YEAOYRYICZECGX-UHFFFAOYSA-N -1 3 233.311 2.485 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC2(C3CC3)CC2)c1 ZINC000537680963 324095486 /nfs/dbraw/zinc/09/54/86/324095486.db2.gz WCTRWQPCRYTFJE-UHFFFAOYSA-N -1 3 231.295 2.373 20 0 BEADHM CSCCN(C)C(=O)c1ccc(C)cc1[O-] ZINC000152556944 324181506 /nfs/dbraw/zinc/18/15/06/324181506.db2.gz UEENBRABQPDMFH-UHFFFAOYSA-N -1 3 239.340 2.136 20 0 BEADHM C[C@@H]1[C@H](C(=O)[N-]OC2CCCC2)[C@H]1C1CC1 ZINC000528965768 324225592 /nfs/dbraw/zinc/22/55/92/324225592.db2.gz OGBYUHPDVNXUEP-AXTRIDKLSA-N -1 3 223.316 2.269 20 0 BEADHM CC(C)ON=C([O-])Nc1cccc2c1OCC2 ZINC000529198863 324258765 /nfs/dbraw/zinc/25/87/65/324258765.db2.gz GJKZYJKISTZQSV-UHFFFAOYSA-N -1 3 236.271 2.083 20 0 BEADHM CC(C)O[N-]C(=O)Nc1cccc2c1OCC2 ZINC000529198863 324258768 /nfs/dbraw/zinc/25/87/68/324258768.db2.gz GJKZYJKISTZQSV-UHFFFAOYSA-N -1 3 236.271 2.083 20 0 BEADHM O=C([N-]OCC1CC1)[C@@H]1C[C@H]1c1ccsc1 ZINC000529424550 324292795 /nfs/dbraw/zinc/29/27/95/324292795.db2.gz IMTHJQSPAAKTOE-WDEREUQCSA-N -1 3 237.324 2.309 20 0 BEADHM Cc1cc(C(=O)NCC2CC=CC2)ccc1[O-] ZINC000529710898 324385224 /nfs/dbraw/zinc/38/52/24/324385224.db2.gz PQONHKNBGWOONF-UHFFFAOYSA-N -1 3 231.295 2.397 20 0 BEADHM O=C(/C=C/c1cccnc1)Nc1ccccc1[O-] ZINC000127498482 324770952 /nfs/dbraw/zinc/77/09/52/324770952.db2.gz UHYGJCTWRPTENT-BQYQJAHWSA-N -1 3 240.262 2.439 20 0 BEADHM CCO[C@H](CC)C(=O)Nc1cccc([O-])c1F ZINC000128590902 324857828 /nfs/dbraw/zinc/85/78/28/324857828.db2.gz KHFGOHUKQJVLKY-SNVBAGLBSA-N -1 3 241.262 2.285 20 0 BEADHM CSC[C@H](C)C(=O)Nc1cccc([O-])c1F ZINC000128840600 324891413 /nfs/dbraw/zinc/89/14/13/324891413.db2.gz RTLOBZPSYMMIOZ-ZETCQYMHSA-N -1 3 243.303 2.469 20 0 BEADHM CCO[N-]C(=O)/C=C/c1cc(C)ccc1OC ZINC000070273583 325002747 /nfs/dbraw/zinc/00/27/47/325002747.db2.gz VXWYJKDDNCVSCJ-SOFGYWHQSA-N -1 3 235.283 2.085 20 0 BEADHM C[C@@H]1C[C@@H](c2nc(-c3ccc([O-])cc3)no2)CO1 ZINC000132811524 325246918 /nfs/dbraw/zinc/24/69/18/325246918.db2.gz QTEPXJJUHQGRKE-PSASIEDQSA-N -1 3 246.266 2.335 20 0 BEADHM Cc1ccncc1N(C)C(=O)c1cccc([O-])c1 ZINC000545950405 325250683 /nfs/dbraw/zinc/25/06/83/325250683.db2.gz JXHCFEAKNXGZCZ-UHFFFAOYSA-N -1 3 242.278 2.372 20 0 BEADHM CSCCN(C)C(=O)c1cc(C)ccc1[O-] ZINC000152638143 325271116 /nfs/dbraw/zinc/27/11/16/325271116.db2.gz UCDPRZMMIANEPD-UHFFFAOYSA-N -1 3 239.340 2.136 20 0 BEADHM Cc1[nH]nc(NC(=O)c2cc(C)ccc2[O-])c1C ZINC000135646564 325421178 /nfs/dbraw/zinc/42/11/78/325421178.db2.gz RZZGKVZISYELFL-UHFFFAOYSA-N -1 3 245.282 2.293 20 0 BEADHM O=C(Cc1cncc([O-])c1)Nc1ccc(F)cc1 ZINC000552883163 325668603 /nfs/dbraw/zinc/66/86/03/325668603.db2.gz RIBOZIAFNUYYGT-UHFFFAOYSA-N -1 3 246.241 2.108 20 0 BEADHM CC1(C)CC(C(=O)N=c2cc3ccccn3[n-]2)C1 ZINC000553000448 325673628 /nfs/dbraw/zinc/67/36/28/325673628.db2.gz HGVOMRLEBXYOBE-UHFFFAOYSA-N -1 3 243.310 2.131 20 0 BEADHM O=c1cc(C=Cc2cocn2)nc(C2CC2)[n-]1 ZINC000554518899 325724216 /nfs/dbraw/zinc/72/42/16/325724216.db2.gz XPPCFDFBJIBUEJ-ONEGZZNKSA-N -1 3 229.239 2.218 20 0 BEADHM CCO[C@H](CC)C(=O)[N-]c1onc(C)c1C ZINC000572580350 326119980 /nfs/dbraw/zinc/11/99/80/326119980.db2.gz RLCGTJJPAHJXDI-SECBINFHSA-N -1 3 226.276 2.045 20 0 BEADHM C[C@H](CC(=O)[O-])N(C)Cc1nc2ccccc2o1 ZINC000568534803 326364530 /nfs/dbraw/zinc/36/45/30/326364530.db2.gz CSZYTFSBGVJKDP-SECBINFHSA-N -1 3 248.282 2.123 20 0 BEADHM CCC(C)(CC)[N-]S(=O)(=O)c1cscn1 ZINC000568979792 326384420 /nfs/dbraw/zinc/38/44/20/326384420.db2.gz DHXNPACGTNSGNB-UHFFFAOYSA-N -1 3 248.373 2.000 20 0 BEADHM C[C@H]1CCCCN(c2ccncc2C(=O)[O-])C1 ZINC000569224190 326396019 /nfs/dbraw/zinc/39/60/19/326396019.db2.gz CKDYRQZSPXGAJH-JTQLQIEISA-N -1 3 234.299 2.406 20 0 BEADHM CC[C@@H](C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000073974565 487985973 /nfs/dbraw/zinc/98/59/73/487985973.db2.gz BJTHGWVIBJIPAM-SSDOTTSWSA-N -1 3 234.259 2.049 20 0 BEADHM CC[C@@H](C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000073974565 487985978 /nfs/dbraw/zinc/98/59/78/487985978.db2.gz BJTHGWVIBJIPAM-SSDOTTSWSA-N -1 3 234.259 2.049 20 0 BEADHM CC[C@@H](C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000073974565 487985986 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C[C@@]1(C(=O)[O-])CCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000901732566 584490940 /nfs/dbraw/zinc/49/09/40/584490940.db2.gz JJHRVIKHKMIXDR-GXTWGEPZSA-N -1 3 249.310 2.125 20 0 BEADHM C[C@](CCF)(NCc1ccc(Cl)o1)C(=O)[O-] ZINC000901916841 584504254 /nfs/dbraw/zinc/50/42/54/584504254.db2.gz YTNCHUUBJSVTIR-SNVBAGLBSA-N -1 3 249.669 2.226 20 0 BEADHM CC[C@H]1CC[C@@H]1NCc1cc(C(=O)[O-])co1 ZINC000901953979 584508243 /nfs/dbraw/zinc/50/82/43/584508243.db2.gz IZRCQSXSPUFZGK-KWQFWETISA-N -1 3 223.272 2.256 20 0 BEADHM Cc1cnccc1CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000901995120 584511292 /nfs/dbraw/zinc/51/12/92/584511292.db2.gz XMTUTSKZZRWCRP-NSHDSACASA-N -1 3 248.326 2.075 20 0 BEADHM Cn1c(=O)[n-]nc1SCCCC(C)(F)F ZINC000902203428 584537696 /nfs/dbraw/zinc/53/76/96/584537696.db2.gz ZNCSOZANCYAAPJ-UHFFFAOYSA-N -1 3 237.275 2.048 20 0 BEADHM CCc1oc(CNC[C@H]2C[C@H]2C)cc1C(=O)[O-] ZINC000902144579 584530057 /nfs/dbraw/zinc/53/00/57/584530057.db2.gz IHGFLIPJYXHEMK-RKDXNWHRSA-N -1 3 237.299 2.286 20 0 BEADHM CCN(Cc1ccc(/C=C\C(=O)[O-])o1)C1CC1 ZINC000902513279 584623038 /nfs/dbraw/zinc/62/30/38/584623038.db2.gz VDWWCQPEZUWTIA-FPLPWBNLSA-N -1 3 235.283 2.362 20 0 BEADHM C[C@@H](NCc1cn(C)cn1)c1cc([O-])cc(F)c1 ZINC000903352091 584755324 /nfs/dbraw/zinc/75/53/24/584755324.db2.gz QQPIUAOUPFHAKF-SECBINFHSA-N -1 3 249.289 2.116 20 0 BEADHM C[C@H](NCc1cn(C)cn1)c1cccc([O-])c1F ZINC000903351356 584755559 /nfs/dbraw/zinc/75/55/59/584755559.db2.gz JZLSAYAATWNFOI-VIFPVBQESA-N -1 3 249.289 2.116 20 0 BEADHM C=C/C=C/CCN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000903605621 584784344 /nfs/dbraw/zinc/78/43/44/584784344.db2.gz BNCRVHWJJNSYEA-ITDFMYJTSA-N -1 3 247.294 2.396 20 0 BEADHM C=C/C=C\CCN1CCc2occc2[C@H]1C(=O)[O-] ZINC000903605623 584784627 /nfs/dbraw/zinc/78/46/27/584784627.db2.gz BNCRVHWJJNSYEA-SCOBNMCVSA-N -1 3 247.294 2.396 20 0 BEADHM CC[C@@H](CNCc1cc(C)ccc1F)C(=O)[O-] ZINC000903704373 584790580 /nfs/dbraw/zinc/79/05/80/584790580.db2.gz GWDYOOOIWACFPA-JTQLQIEISA-N -1 3 239.290 2.335 20 0 BEADHM CC[C@H](CNCc1cccc(F)c1F)C(=O)[O-] ZINC000903705540 584790965 /nfs/dbraw/zinc/79/09/65/584790965.db2.gz OEVGPIKNQSSFCZ-MRVPVSSYSA-N -1 3 243.253 2.165 20 0 BEADHM C[C@@H]1CC[C@@H](C)N1Cc1cncc(C(=O)[O-])c1 ZINC000903896007 584819417 /nfs/dbraw/zinc/81/94/17/584819417.db2.gz AGQPJGICYKTUNU-NXEZZACHSA-N -1 3 234.299 2.153 20 0 BEADHM CCCCN([O-])C(=O)Nc1cnn(C(C)C)c1 ZINC000904197624 584850530 /nfs/dbraw/zinc/85/05/30/584850530.db2.gz JGDQHENUZJQHFZ-UHFFFAOYSA-N -1 3 240.307 2.487 20 0 BEADHM C/C(=C\CN(C)CCOc1ccccc1)C(=O)[O-] ZINC000825730464 584891603 /nfs/dbraw/zinc/89/16/03/584891603.db2.gz WVHJVLBVEZLJQX-XYOKQWHBSA-N -1 3 249.310 2.028 20 0 BEADHM C[C@H]1CCC[C@H](CN2CCN(C(=O)[O-])CC2)C1 ZINC000833610703 584912904 /nfs/dbraw/zinc/91/29/04/584912904.db2.gz KNVGLMMXZXBXHO-RYUDHWBXSA-N -1 3 240.347 2.108 20 0 BEADHM O=C(OCC(F)F)c1ccc(Cl)cc1[O-] ZINC000733384112 584947662 /nfs/dbraw/zinc/94/76/62/584947662.db2.gz TZTCMWZDADMVHW-UHFFFAOYSA-N -1 3 236.601 2.468 20 0 BEADHM 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585190185 /nfs/dbraw/zinc/19/01/85/585190185.db2.gz HIGYWAWFRZWKSH-UHFFFAOYSA-N -1 3 237.230 2.182 20 0 BEADHM COCCO[N-]C(=O)CC/C=C/c1ccccc1 ZINC000748772721 585195666 /nfs/dbraw/zinc/19/56/66/585195666.db2.gz NITIWLZWRGDDKT-WEVVVXLNSA-N -1 3 249.310 2.174 20 0 BEADHM CC(=O)CCCOC(=O)c1ccc(F)cc1[O-] ZINC000750145318 585211121 /nfs/dbraw/zinc/21/11/21/585211121.db2.gz HWTJNZVFBKAYFR-UHFFFAOYSA-N -1 3 240.230 2.057 20 0 BEADHM CC(C)CO[N-]C(=O)CCC(C)(F)F ZINC000750219423 585212454 /nfs/dbraw/zinc/21/24/54/585212454.db2.gz MBOGVOKVZLOETO-UHFFFAOYSA-N -1 3 209.236 2.126 20 0 BEADHM Cc1ccc(NC(=O)[N-]OCC(C)C)cn1 ZINC000750344134 585213251 /nfs/dbraw/zinc/21/32/51/585213251.db2.gz ATDDTQRXSMZMHJ-UHFFFAOYSA-N -1 3 223.276 2.099 20 0 BEADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000751068420 585223797 /nfs/dbraw/zinc/22/37/97/585223797.db2.gz PVXQLQUXNLKQEX-SKDRFNHKSA-N -1 3 248.326 2.283 20 0 BEADHM CC(C)c1cc(C(=O)[N-]c2ccon2)no1 ZINC000755767258 585306403 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ZINC000770683166 585579700 /nfs/dbraw/zinc/57/97/00/585579700.db2.gz SOAVWJFIKXWXAM-UHFFFAOYSA-N -1 3 223.257 2.000 20 0 BEADHM COc1cccc([N-]C(=O)c2cnco2)c1F ZINC000771522542 585595439 /nfs/dbraw/zinc/59/54/39/585595439.db2.gz GNOMSDJGRLLQFU-UHFFFAOYSA-N -1 3 236.202 2.075 20 0 BEADHM CCOCCO[N-]C(=O)C[C@H]1CCCC[C@H]1C ZINC000772702041 585621088 /nfs/dbraw/zinc/62/10/88/585621088.db2.gz ZSPPFVHVCWMLDH-VXGBXAGGSA-N -1 3 243.347 2.287 20 0 BEADHM C[C@H]1CCC[C@H]1CC(=O)[N-]OC1CCOCC1 ZINC000772709766 585621478 /nfs/dbraw/zinc/62/14/78/585621478.db2.gz HFWHDKZSMBSCKG-QWRGUYRKSA-N -1 3 241.331 2.040 20 0 BEADHM CC[C@@H](CC(=O)[N-]OC1CCOCC1)C(C)C ZINC000772708890 585621527 /nfs/dbraw/zinc/62/15/27/585621527.db2.gz YUAVBSBBZCGUQK-NSHDSACASA-N -1 3 243.347 2.286 20 0 BEADHM CCN(C(=O)c1nnc[n-]1)c1cc(C)cc(C)c1 ZINC000772778632 585623411 /nfs/dbraw/zinc/62/34/11/585623411.db2.gz IFNTWXFITJXYIN-UHFFFAOYSA-N -1 3 244.298 2.088 20 0 BEADHM CCN(C(=O)c1nc[n-]n1)c1cc(C)cc(C)c1 ZINC000772778632 585623412 /nfs/dbraw/zinc/62/34/12/585623412.db2.gz IFNTWXFITJXYIN-UHFFFAOYSA-N -1 3 244.298 2.088 20 0 BEADHM O=C(CC[C@@H]1CCCCO1)[N-]Oc1ccccc1 ZINC000773468803 585637501 /nfs/dbraw/zinc/63/75/01/585637501.db2.gz UYMQEAMJWFTZKU-LBPRGKRZSA-N -1 3 249.310 2.446 20 0 BEADHM Cc1ccc(C(=O)NOc2ccccc2)c([O-])c1 ZINC000774276886 585655573 /nfs/dbraw/zinc/65/55/73/585655573.db2.gz VLSBTSOCCGDDDZ-UHFFFAOYSA-N -1 3 243.262 2.424 20 0 BEADHM CCc1cc(C[N-]c2nc(C(C)C)no2)n[nH]1 ZINC000774528968 585660807 /nfs/dbraw/zinc/66/08/07/585660807.db2.gz HTAIQDMVEZLIFO-UHFFFAOYSA-N -1 3 235.291 2.091 20 0 BEADHM C[C@@H](CC(=O)[N-]OC1CCCC1)C1CC1 ZINC000774875308 585668153 /nfs/dbraw/zinc/66/81/53/585668153.db2.gz NMBFWVZREIINPI-VIFPVBQESA-N -1 3 211.305 2.413 20 0 BEADHM C[C@H](CC(=O)[N-]OC1CCCC1)n1cccc1 ZINC000775272202 585674482 /nfs/dbraw/zinc/67/44/82/585674482.db2.gz FKEWYVPRKXBXRX-LLVKDONJSA-N -1 3 236.315 2.430 20 0 BEADHM CC(C)[C@]1(C)C[C@@H]1C(=O)[N-]OCC(F)(F)F ZINC000775459780 585678130 /nfs/dbraw/zinc/67/81/30/585678130.db2.gz VVGWLCMZIPVYGU-APPZFPTMSA-N -1 3 239.237 2.279 20 0 BEADHM CC[C@H](OC(=O)c1n[n-]nc1C)c1ccccc1 ZINC000805546365 585679206 /nfs/dbraw/zinc/67/92/06/585679206.db2.gz HJGOYAPHKNBSGO-NSHDSACASA-N -1 3 245.282 2.421 20 0 BEADHM CC[C@@H]1[C@@H](C)CCN1Cc1nc(C)cc(=O)[n-]1 ZINC000775782182 585684415 /nfs/dbraw/zinc/68/44/15/585684415.db2.gz CZNNOIROYYOAGV-GXSJLCMTSA-N -1 3 235.331 2.111 20 0 BEADHM Cc1cc(=O)[n-]c(CSCc2ccccn2)n1 ZINC000776897691 585706648 /nfs/dbraw/zinc/70/66/48/585706648.db2.gz JXBYBJFOXORAIN-UHFFFAOYSA-N -1 3 247.323 2.319 20 0 BEADHM O=C(C[C@@H]1CCCCO1)[N-]OC1CCCCC1 ZINC000777963776 585724334 /nfs/dbraw/zinc/72/43/34/585724334.db2.gz ZTPYHOUWLMAHNK-LBPRGKRZSA-N -1 3 241.331 2.326 20 0 BEADHM Cc1cc(C(=O)OCC(=O)C2CCC2)ccc1[O-] ZINC000778857466 585741580 /nfs/dbraw/zinc/74/15/80/585741580.db2.gz XGUZHQNXDKNBFE-UHFFFAOYSA-N -1 3 248.278 2.227 20 0 BEADHM Cc1cc(C(=O)OCC(=O)C(C)C)ccc1[O-] ZINC000778856532 585741756 /nfs/dbraw/zinc/74/17/56/585741756.db2.gz RNPINYFJVPBIIM-UHFFFAOYSA-N -1 3 236.267 2.083 20 0 BEADHM Cc1cccc([O-])c1NC(=O)c1ccc[nH]c1=O ZINC000778962022 585743223 /nfs/dbraw/zinc/74/32/23/585743223.db2.gz YAMJSBLVWZNEEU-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM O=C(Cc1ccccc1O)[N-]OC1CCCCC1 ZINC000779322678 585750953 /nfs/dbraw/zinc/75/09/53/585750953.db2.gz VUZFSQLYHPVJKM-UHFFFAOYSA-N -1 3 249.310 2.315 20 0 BEADHM O=C(NOC1CCCCC1)c1ccccc1[O-] ZINC000779322339 585751113 /nfs/dbraw/zinc/75/11/13/585751113.db2.gz UXYPECCHEVBAOO-UHFFFAOYSA-N -1 3 235.283 2.386 20 0 BEADHM O=C([N-]OC1CCCCC1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000779324616 585751266 /nfs/dbraw/zinc/75/12/66/585751266.db2.gz GFVBZKCSRYVAIG-GDNZZTSVSA-N -1 3 223.316 2.413 20 0 BEADHM CCC(C)=C(C)C(=O)Nc1nnc(SC)[n-]1 ZINC000780920931 585786268 /nfs/dbraw/zinc/78/62/68/585786268.db2.gz MNWSICCDQAVVEQ-VOTSOKGWSA-N -1 3 240.332 2.212 20 0 BEADHM CC/C(C)=C(\C)C(=O)Nc1nc(SC)n[n-]1 ZINC000780920931 585786269 /nfs/dbraw/zinc/78/62/69/585786269.db2.gz MNWSICCDQAVVEQ-VOTSOKGWSA-N -1 3 240.332 2.212 20 0 BEADHM CCC(C)=C(C)C(=O)Nc1n[n-]c(SC)n1 ZINC000780920931 585786270 /nfs/dbraw/zinc/78/62/70/585786270.db2.gz MNWSICCDQAVVEQ-VOTSOKGWSA-N -1 3 240.332 2.212 20 0 BEADHM COc1ccc(NC(=O)[C@@H](F)C(C)C)c([O-])c1 ZINC000785425713 585873379 /nfs/dbraw/zinc/87/33/79/585873379.db2.gz UNPQWAYPRUREJA-NSHDSACASA-N -1 3 241.262 2.333 20 0 BEADHM COc1ccc(NC(=O)/C=C/SC)c([O-])c1 ZINC000785426849 585873477 /nfs/dbraw/zinc/87/34/77/585873477.db2.gz OCZLQBNWXFRBPC-AATRIKPKSA-N -1 3 239.296 2.216 20 0 BEADHM COC[C@@H](C)OC(=O)c1cc([O-])ccc1Cl ZINC000785872120 585882163 /nfs/dbraw/zinc/88/21/63/585882163.db2.gz GQODLSZLGMKCPU-SSDOTTSWSA-N -1 3 244.674 2.237 20 0 BEADHM CCOCCOC(=O)c1cc([O-])ccc1Cl ZINC000785867049 585882183 /nfs/dbraw/zinc/88/21/83/585882183.db2.gz NCLMYGVUQGWBQV-UHFFFAOYSA-N -1 3 244.674 2.239 20 0 BEADHM CCC(=O)COC(=O)c1cc([O-])ccc1Cl ZINC000785878918 585882194 /nfs/dbraw/zinc/88/21/94/585882194.db2.gz YCOLOKWMSKKZHS-UHFFFAOYSA-N -1 3 242.658 2.182 20 0 BEADHM CC(C)C(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786027393 585885582 /nfs/dbraw/zinc/88/55/82/585885582.db2.gz DBMSZANNMPMJFY-UHFFFAOYSA-N -1 3 235.239 2.143 20 0 BEADHM CCCC(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786029442 585885812 /nfs/dbraw/zinc/88/58/12/585885812.db2.gz NJSVVXROONOAAC-UHFFFAOYSA-N -1 3 235.239 2.287 20 0 BEADHM CSCCOC(=O)c1c(C)[n-]nc1C(C)C ZINC000786341671 585889891 /nfs/dbraw/zinc/88/98/91/585889891.db2.gz OFXAPCHFFDCYSB-UHFFFAOYSA-N -1 3 242.344 2.361 20 0 BEADHM CSCCOC(=O)c1c(C)n[n-]c1C(C)C ZINC000786341671 585889892 /nfs/dbraw/zinc/88/98/92/585889892.db2.gz OFXAPCHFFDCYSB-UHFFFAOYSA-N -1 3 242.344 2.361 20 0 BEADHM O=C([N-]C1(c2ccc(F)cc2)CC1)C(F)F ZINC000787328064 585907320 /nfs/dbraw/zinc/90/73/20/585907320.db2.gz WYAGVKHLFAETIO-UHFFFAOYSA-N -1 3 229.201 2.196 20 0 BEADHM O=C([N-][C@H]1C[C@H]1c1c(F)cccc1F)C(F)F ZINC000787374040 585908056 /nfs/dbraw/zinc/90/80/56/585908056.db2.gz OGZJTIDSPZMMCX-XRGYYRRGSA-N -1 3 247.191 2.202 20 0 BEADHM CC(C)([N-]C(=O)C(F)F)c1cccs1 ZINC000787372738 585908221 /nfs/dbraw/zinc/90/82/21/585908221.db2.gz BXLLGUMAAPDVKJ-UHFFFAOYSA-N -1 3 219.256 2.365 20 0 BEADHM Cc1cnc([C@@H]([N-]C(=O)C(F)F)C2CC2)s1 ZINC000787390620 585908421 /nfs/dbraw/zinc/90/84/21/585908421.db2.gz LWFFBEFMWFMOCX-ZETCQYMHSA-N -1 3 246.282 2.284 20 0 BEADHM C=C/C(C)=C/CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000788655713 585928523 /nfs/dbraw/zinc/92/85/23/585928523.db2.gz AICAIWNDHYVRRT-OFFHKIPUSA-N -1 3 225.288 2.083 20 0 BEADHM CC(=O)[N-]OCC[C@H](C)OCc1ccccc1 ZINC000788787795 585930479 /nfs/dbraw/zinc/93/04/79/585930479.db2.gz SBYSVNNCEGUUNR-NSHDSACASA-N -1 3 237.299 2.050 20 0 BEADHM Cc1n[n-]nc1C(=O)N(C)c1ccc(C)c(C)c1 ZINC000789899648 585952663 /nfs/dbraw/zinc/95/26/63/585952663.db2.gz GNIUSPWZNNNHKT-UHFFFAOYSA-N -1 3 244.298 2.007 20 0 BEADHM O=C(c1cc2sccc2c([O-])c1)N1CCCO1 ZINC000791219565 585975177 /nfs/dbraw/zinc/97/51/77/585975177.db2.gz CSADBHOJBNLYLH-UHFFFAOYSA-N -1 3 249.291 2.384 20 0 BEADHM Cc1ccc(OC(=O)c2csc(=O)[n-]2)cc1 ZINC000792029688 585994173 /nfs/dbraw/zinc/99/41/73/585994173.db2.gz IDZFTTFRYKCBLP-UHFFFAOYSA-N -1 3 235.264 2.376 20 0 BEADHM CCO[N-]C(=O)CCc1cnc2ccccc2c1 ZINC000792041331 585994512 /nfs/dbraw/zinc/99/45/12/585994512.db2.gz SZZVRRDJJBSCJS-UHFFFAOYSA-N -1 3 244.294 2.235 20 0 BEADHM CCONC(=O)c1cc([O-])c2ccccc2c1 ZINC000792039957 585994531 /nfs/dbraw/zinc/99/45/31/585994531.db2.gz LJNODKVARBMPDA-UHFFFAOYSA-N -1 3 231.251 2.227 20 0 BEADHM CCC[C@](C)(CC)C(=O)[N-]C1=NCCS1 ZINC000792857370 586005822 /nfs/dbraw/zinc/00/58/22/586005822.db2.gz YWKHWQAVLMBTEU-NSHDSACASA-N -1 3 228.361 2.422 20 0 BEADHM O=C(/C=C/c1ccco1)[N-]OC/C=C\Cl ZINC000794289937 586037186 /nfs/dbraw/zinc/03/71/86/586037186.db2.gz WDEPYYQLNIBAKL-UYFOHIMGSA-N -1 3 227.647 2.093 20 0 BEADHM CSCCO[N-]C(=O)CC1CC(C)(C)C1 ZINC000794462083 586040203 /nfs/dbraw/zinc/04/02/03/586040203.db2.gz PFCHGDPYCOSRJT-UHFFFAOYSA-N -1 3 231.361 2.224 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)CCC(F)(F)F ZINC000794851658 586051073 /nfs/dbraw/zinc/05/10/73/586051073.db2.gz GYDBBXBOELITAP-SSDOTTSWSA-N -1 3 227.226 2.423 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)CCCSC ZINC000794855450 586051255 /nfs/dbraw/zinc/05/12/55/586051255.db2.gz VPHJXXLOPOXAKX-SECBINFHSA-N -1 3 219.350 2.224 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)C1CC(F)(F)C1 ZINC000794868289 586052701 /nfs/dbraw/zinc/05/27/01/586052701.db2.gz AIESIKPEGOHMOP-ZETCQYMHSA-N -1 3 221.247 2.126 20 0 BEADHM Cc1cc([O-])ccc1C(=O)OCCC[C@H](C)O ZINC000795569043 586086061 /nfs/dbraw/zinc/08/60/61/586086061.db2.gz SCENEDJXJOHYTR-JTQLQIEISA-N -1 3 238.283 2.018 20 0 BEADHM CCCCOC(=O)c1nn[n-]c1-c1ccccc1 ZINC000798191286 586138937 /nfs/dbraw/zinc/13/89/37/586138937.db2.gz CVGWMOWNTGWNSG-UHFFFAOYSA-N -1 3 245.282 2.429 20 0 BEADHM CCCCOC(=O)c1[n-]nnc1-c1ccccc1 ZINC000798191286 586138938 /nfs/dbraw/zinc/13/89/38/586138938.db2.gz CVGWMOWNTGWNSG-UHFFFAOYSA-N -1 3 245.282 2.429 20 0 BEADHM CCCCOC(=O)c1n[n-]nc1-c1ccccc1 ZINC000798191286 586138939 /nfs/dbraw/zinc/13/89/39/586138939.db2.gz CVGWMOWNTGWNSG-UHFFFAOYSA-N -1 3 245.282 2.429 20 0 BEADHM Cc1nn(C(C)C)cc1C=Cc1nccc(=O)[n-]1 ZINC000798370077 586142958 /nfs/dbraw/zinc/14/29/58/586142958.db2.gz BLANXDHUOLWSMH-PLNGDYQASA-N -1 3 244.298 2.438 20 0 BEADHM Cc1cc([O-])ccc1C(=O)O[C@@H](C)C(=O)C1CC1 ZINC000798642356 586147220 /nfs/dbraw/zinc/14/72/20/586147220.db2.gz LVJHDUMMNDCJOF-VIFPVBQESA-N -1 3 248.278 2.225 20 0 BEADHM CCCC[C@@H](C)C(=O)[N-]C1=NCCS1 ZINC000799872230 586198767 /nfs/dbraw/zinc/19/87/67/586198767.db2.gz OIFSMKJUUUZMRP-MRVPVSSYSA-N -1 3 214.334 2.032 20 0 BEADHM O=C(OCC1CCC1)c1cc(F)cc2[n-]nnc21 ZINC000800257593 586207465 /nfs/dbraw/zinc/20/74/65/586207465.db2.gz JOZOQZHAYMFNKS-UHFFFAOYSA-N -1 3 249.245 2.054 20 0 BEADHM O=C(OCC1CCC1)c1cc(F)cc2nn[n-]c21 ZINC000800257593 586207466 /nfs/dbraw/zinc/20/74/66/586207466.db2.gz JOZOQZHAYMFNKS-UHFFFAOYSA-N -1 3 249.245 2.054 20 0 BEADHM O=C(OCC1CCC1)c1cc(F)cc2n[n-]nc21 ZINC000800257593 586207468 /nfs/dbraw/zinc/20/74/68/586207468.db2.gz JOZOQZHAYMFNKS-UHFFFAOYSA-N -1 3 249.245 2.054 20 0 BEADHM Cc1cc(C(=O)OCc2ccncc2)ccc1[O-] ZINC000803424220 586354323 /nfs/dbraw/zinc/35/43/23/586354323.db2.gz UZBGVXBAKLYGFT-UHFFFAOYSA-N -1 3 243.262 2.453 20 0 BEADHM COCCCCOC(=O)c1cc2occc2[n-]1 ZINC000803500329 586361556 /nfs/dbraw/zinc/36/15/56/586361556.db2.gz PGDDOJYAEBBDRM-UHFFFAOYSA-N -1 3 237.255 2.344 20 0 BEADHM Cc1ccnc(C)c1NC([O-])=NOCC(F)F ZINC000806537916 586413826 /nfs/dbraw/zinc/41/38/26/586413826.db2.gz XZLUGOWBXOJPOW-UHFFFAOYSA-N -1 3 245.229 2.017 20 0 BEADHM Cc1ccnc(C)c1NC(=O)[N-]OCC(F)F ZINC000806537916 586413827 /nfs/dbraw/zinc/41/38/27/586413827.db2.gz XZLUGOWBXOJPOW-UHFFFAOYSA-N -1 3 245.229 2.017 20 0 BEADHM C[C@@H]1C[C@H]1COC(=O)c1c([O-])cccc1F ZINC000859642301 589051778 /nfs/dbraw/zinc/05/17/78/589051778.db2.gz QHHSSVWTUNJZCL-SFYZADRCSA-N -1 3 224.231 2.344 20 0 BEADHM CC(F)(F)C(=O)[N-]Cc1cc(Cl)ccn1 ZINC000808464311 586473984 /nfs/dbraw/zinc/47/39/84/586473984.db2.gz HHOSLBVYSJCZRH-UHFFFAOYSA-N -1 3 234.633 2.006 20 0 BEADHM Cc1ccnc(NC([O-])=NOC/C=C/Cl)c1 ZINC000810204193 586536481 /nfs/dbraw/zinc/53/64/81/586536481.db2.gz LHXADBXKZJCHGY-DUXPYHPUSA-N -1 3 241.678 2.196 20 0 BEADHM Cc1ccnc(NC(=O)[N-]OC/C=C/Cl)c1 ZINC000810204193 586536483 /nfs/dbraw/zinc/53/64/83/586536483.db2.gz LHXADBXKZJCHGY-DUXPYHPUSA-N -1 3 241.678 2.196 20 0 BEADHM CCc1cc(NC([O-])=NOC/C=C\Cl)no1 ZINC000810187633 586536661 /nfs/dbraw/zinc/53/66/61/586536661.db2.gz AOTGGFTXTUWGEC-ARJAWSKDSA-N -1 3 245.666 2.043 20 0 BEADHM CCc1cc(NC(=O)[N-]OC/C=C\Cl)no1 ZINC000810187633 586536662 /nfs/dbraw/zinc/53/66/62/586536662.db2.gz AOTGGFTXTUWGEC-ARJAWSKDSA-N -1 3 245.666 2.043 20 0 BEADHM CCCCOC(=O)c1c[n-]nc1-c1ccccn1 ZINC000810538054 586540298 /nfs/dbraw/zinc/54/02/98/586540298.db2.gz SXICVWFJWIIYRV-UHFFFAOYSA-N -1 3 245.282 2.429 20 0 BEADHM CC[C@H](C)OC(=O)c1c[n-]nc1-c1ccccn1 ZINC000810548388 586540952 /nfs/dbraw/zinc/54/09/52/586540952.db2.gz YWIPMTIKBLVAQQ-VIFPVBQESA-N -1 3 245.282 2.427 20 0 BEADHM CC[C@@H](C)OC(=O)c1c[n-]nc1-c1ccccn1 ZINC000810548387 586540980 /nfs/dbraw/zinc/54/09/80/586540980.db2.gz YWIPMTIKBLVAQQ-SECBINFHSA-N -1 3 245.282 2.427 20 0 BEADHM O=C(CC1CCSCC1)[N-]OC/C=C/Cl ZINC000812399926 586575564 /nfs/dbraw/zinc/57/55/64/586575564.db2.gz CBJKDWYPPAGRRL-DAFODLJHSA-N -1 3 249.763 2.320 20 0 BEADHM O=C(Cc1ccccc1F)[N-]OC/C=C/Cl ZINC000812399943 586575627 /nfs/dbraw/zinc/57/56/27/586575627.db2.gz CERHIYVSZVIGLL-ZZXKWVIFSA-N -1 3 243.665 2.169 20 0 BEADHM Cc1ccc(CCC(=O)[N-]OC/C=C/Cl)o1 ZINC000812406688 586576128 /nfs/dbraw/zinc/57/61/28/586576128.db2.gz SGXKEUSFZBTFDE-FARCUNLSSA-N -1 3 243.690 2.321 20 0 BEADHM Cc1cccc(CC(=O)[N-]OC/C=C/Cl)c1 ZINC000812405423 586576131 /nfs/dbraw/zinc/57/61/31/586576131.db2.gz YOCAJUTZMGPZDD-ZZXKWVIFSA-N -1 3 239.702 2.338 20 0 BEADHM O=C([N-]OC/C=C\Cl)[C@@H]1CCC(F)(F)C1 ZINC000812404884 586576332 /nfs/dbraw/zinc/57/63/32/586576332.db2.gz LPZGHDHLVFTOOF-MQDQFQHWSA-N -1 3 239.649 2.222 20 0 BEADHM Cc1ccc(C(=O)NOC/C=C/Cl)c([O-])c1 ZINC000812407144 586576388 /nfs/dbraw/zinc/57/63/88/586576388.db2.gz KDMQBZSYSKIIQS-GORDUTHDSA-N -1 3 241.674 2.115 20 0 BEADHM Cc1cccc(C(=O)NOC/C=C/Cl)c1[O-] ZINC000812404691 586576390 /nfs/dbraw/zinc/57/63/90/586576390.db2.gz IXWDOYRAFIQYED-ZZXKWVIFSA-N -1 3 241.674 2.115 20 0 BEADHM CCO[C@H](CC(=O)[N-]OC/C=C/Cl)C(C)C ZINC000812408681 586576566 /nfs/dbraw/zinc/57/65/66/586576566.db2.gz VGRBBGSIYSYNDC-BRAIEQGRSA-N -1 3 249.738 2.238 20 0 BEADHM C[C@H](CC(=O)[N-]OC/C=C/Cl)C1CC1 ZINC000812408042 586576568 /nfs/dbraw/zinc/57/65/68/586576568.db2.gz MMGRGLRQLVOFLZ-IBDUZEINSA-N -1 3 217.696 2.223 20 0 BEADHM Cc1ccc([O-])c(C(=O)NOC/C=C/Cl)c1 ZINC000812407725 586576636 /nfs/dbraw/zinc/57/66/36/586576636.db2.gz YQPYVENNMCUQNX-GORDUTHDSA-N -1 3 241.674 2.115 20 0 BEADHM CCCC(O)(CCC)CC(=O)[N-]OC1CCC1 ZINC000812794017 586585907 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2.235 20 0 BEADHM CCC[C@@H](CC)NC(=O)c1ccc(N)cc1[O-] ZINC000817930069 586842469 /nfs/dbraw/zinc/84/24/69/586842469.db2.gz MNNCAHDUSADTRD-SNVBAGLBSA-N -1 3 236.315 2.283 20 0 BEADHM C[C@H]1CN(C(=O)c2ccc(N)cc2[O-])CC[C@@H]1C ZINC000817997750 586863100 /nfs/dbraw/zinc/86/31/00/586863100.db2.gz WQMBJKAOLBDWAD-UWVGGRQHSA-N -1 3 248.326 2.093 20 0 BEADHM C[C@@H]1CCN(C(=O)c2ccc(N)cc2[O-])C[C@H]1C ZINC000817997749 586863224 /nfs/dbraw/zinc/86/32/24/586863224.db2.gz WQMBJKAOLBDWAD-NXEZZACHSA-N -1 3 248.326 2.093 20 0 BEADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(N)cc1[O-] ZINC000817999117 586863358 /nfs/dbraw/zinc/86/33/58/586863358.db2.gz NAVWMFQLOOILEZ-GXSJLCMTSA-N -1 3 248.326 2.378 20 0 BEADHM C[C@H](NCCCC(=O)[O-])c1cccnc1Cl ZINC000818054067 586867367 /nfs/dbraw/zinc/86/73/67/586867367.db2.gz WWVDUEHPPNRPDE-QMMMGPOBSA-N -1 3 242.706 2.250 20 0 BEADHM CC[C@@H](N[C@@H](C)c1cccnc1Cl)C(=O)[O-] ZINC000818316915 586885868 /nfs/dbraw/zinc/88/58/68/586885868.db2.gz IAIDBDWGYCVPRD-IONNQARKSA-N -1 3 242.706 2.249 20 0 BEADHM CC[C@@H](N[C@H](C)c1cccnc1Cl)C(=O)[O-] ZINC000818316916 586886239 /nfs/dbraw/zinc/88/62/39/586886239.db2.gz IAIDBDWGYCVPRD-VXNVDRBHSA-N -1 3 242.706 2.249 20 0 BEADHM O=C([N-]C[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F ZINC000818478301 586894084 /nfs/dbraw/zinc/89/40/84/586894084.db2.gz ATWWPTVEZGREEE-UWVGGRQHSA-N -1 3 243.228 2.469 20 0 BEADHM O=C([N-]c1ccon1)c1cc(F)ccc1F ZINC000818517261 586896789 /nfs/dbraw/zinc/89/67/89/586896789.db2.gz UHYYZHSYMXWMJX-UHFFFAOYSA-N -1 3 224.166 2.205 20 0 BEADHM Cc1cccc([O-])c1NC(=O)/C=C/[C@@H]1CCCO1 ZINC000819457998 586966290 /nfs/dbraw/zinc/96/62/90/586966290.db2.gz NCZGLSJKNQGIRO-AEZGRPFRSA-N -1 3 247.294 2.374 20 0 BEADHM CCCCC[C@H](C)CC(=O)[N-]OCC(C)(C)O ZINC000819542404 586975592 /nfs/dbraw/zinc/97/55/92/586975592.db2.gz UQPDTRLRWUZDAW-NSHDSACASA-N -1 3 245.363 2.412 20 0 BEADHM O=C([N-][C@@H]1C[C@@]1(F)c1ccccc1)C(F)F ZINC000819627688 586981690 /nfs/dbraw/zinc/98/16/90/586981690.db2.gz BBEGNMUXCZETHH-LDYMZIIASA-N -1 3 229.201 2.005 20 0 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BEADHM CC(C)[C@H](C)Sc1ncccc1-c1nn[n-]n1 ZINC000820020314 587013865 /nfs/dbraw/zinc/01/38/65/587013865.db2.gz DOTLZAIVWWYCNE-QMMMGPOBSA-N -1 3 249.343 2.398 20 0 BEADHM C[C@@H](CC(=O)[O-])N[C@@H]1CSc2ccccc21 ZINC000820079681 587019000 /nfs/dbraw/zinc/01/90/00/587019000.db2.gz TXCGZQPQKJHDRA-WCBMZHEXSA-N -1 3 237.324 2.286 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)[C@]12C[C@H]1CCC2 ZINC000820278607 587040549 /nfs/dbraw/zinc/04/05/49/587040549.db2.gz DBCUSHBYOXWGEV-HOSYDEDBSA-N -1 3 211.305 2.271 20 0 BEADHM CC[C@@H](NCC(=O)[O-])c1ccc(F)cc1F ZINC000820284852 587040971 /nfs/dbraw/zinc/04/09/71/587040971.db2.gz FSDYDUFKHGZEOC-SNVBAGLBSA-N -1 3 229.226 2.090 20 0 BEADHM CCC[C@H](O)C(=O)Nc1c([O-])cccc1Cl ZINC000820558183 587054169 /nfs/dbraw/zinc/05/41/69/587054169.db2.gz NHBPGDOYLRQFII-VIFPVBQESA-N -1 3 243.690 2.145 20 0 BEADHM CCC1(C(=O)[N-]OC)CCC(F)(F)CC1 ZINC000820845329 587076828 /nfs/dbraw/zinc/07/68/28/587076828.db2.gz VRBMLMABFYGFMD-UHFFFAOYSA-N -1 3 221.247 2.270 20 0 BEADHM CC[C@@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000820862638 587077791 /nfs/dbraw/zinc/07/77/91/587077791.db2.gz QVXZRRKTHUMGCO-BDAKNGLRSA-N -1 3 246.318 2.108 20 0 BEADHM CC[C@@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000820862638 587077793 /nfs/dbraw/zinc/07/77/93/587077793.db2.gz QVXZRRKTHUMGCO-BDAKNGLRSA-N -1 3 246.318 2.108 20 0 BEADHM CC[C@H](C)CSc1cc(-c2nnn[n-]2)ccn1 ZINC000820869336 587078595 /nfs/dbraw/zinc/07/85/95/587078595.db2.gz GQFUCJJOMCBFRT-QMMMGPOBSA-N -1 3 249.343 2.400 20 0 BEADHM CC[C@H](C)CSc1cc(-c2nn[n-]n2)ccn1 ZINC000820869336 587078596 /nfs/dbraw/zinc/07/85/96/587078596.db2.gz GQFUCJJOMCBFRT-QMMMGPOBSA-N -1 3 249.343 2.400 20 0 BEADHM COc1ccccc1/C=C/CN(C)CCC(=O)[O-] ZINC000820876606 587078958 /nfs/dbraw/zinc/07/89/58/587078958.db2.gz RZVPPQBUZJNSAJ-FNORWQNLSA-N -1 3 249.310 2.115 20 0 BEADHM O=C(C[C@H]1CCCC1(F)F)[N-]OC1CCC1 ZINC000821222654 587102607 /nfs/dbraw/zinc/10/26/07/587102607.db2.gz VBGVUBQJPJAAMG-MRVPVSSYSA-N -1 3 233.258 2.412 20 0 BEADHM 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/nfs/dbraw/zinc/32/16/08/587321608.db2.gz RYNHFVNYAKZORQ-VHSXEESVSA-N -1 3 238.287 2.073 20 0 BEADHM CC(C(=O)[N-]O[C@H]1CCCCO1)=C1CCC1 ZINC000825554126 587324826 /nfs/dbraw/zinc/32/48/26/587324826.db2.gz JGVWCINMFKODJB-NSHDSACASA-N -1 3 225.288 2.061 20 0 BEADHM Cc1cccc(CO[N-]C(=O)[C@]23C[C@H]2CCC3)n1 ZINC000825571695 587325683 /nfs/dbraw/zinc/32/56/83/587325683.db2.gz AENAZYSBYMOSBH-BXUZGUMPSA-N -1 3 246.310 2.128 20 0 BEADHM C/C(=C/CN(Cc1ccccn1)C(C)C)C(=O)[O-] ZINC000825729955 587334527 /nfs/dbraw/zinc/33/45/27/587334527.db2.gz OJKSYQQTZGXKLP-GHXNOFRVSA-N -1 3 248.326 2.323 20 0 BEADHM C/C(=C/CN1CC[C@H]1Cc1ccccc1)C(=O)[O-] ZINC000825736217 587335780 /nfs/dbraw/zinc/33/57/80/587335780.db2.gz WJBLDFYAXXBFPE-VDBIKXPHSA-N -1 3 245.322 2.334 20 0 BEADHM C[C@@H]1C[C@H](NC(=O)[O-])CCN1Cc1ccccc1 ZINC000825843490 587341026 /nfs/dbraw/zinc/34/10/26/587341026.db2.gz AHFVFEQPSWLWSQ-DGCLKSJQSA-N -1 3 248.326 2.307 20 0 BEADHM C[C@@H]1C[C@@H]1NCc1cccc2c1N(C(=O)[O-])CC2 ZINC000825861206 587342360 /nfs/dbraw/zinc/34/23/60/587342360.db2.gz QFYZIBIJJFZDBJ-SKDRFNHKSA-N -1 3 246.310 2.225 20 0 BEADHM c1cn(CC2CCCCC2)cc1-c1nnn[n-]1 ZINC000826524627 587353804 /nfs/dbraw/zinc/35/38/04/587353804.db2.gz CFZZOOAWNGPPLS-UHFFFAOYSA-N -1 3 231.303 2.249 20 0 BEADHM c1cn(CC2CCCCC2)cc1-c1nn[n-]n1 ZINC000826524627 587353805 /nfs/dbraw/zinc/35/38/05/587353805.db2.gz CFZZOOAWNGPPLS-UHFFFAOYSA-N -1 3 231.303 2.249 20 0 BEADHM CC[C@H](c1ccccc1)N(C)CCNC(=O)[O-] ZINC000826639219 587357446 /nfs/dbraw/zinc/35/74/46/587357446.db2.gz LSWKXBUEYMOPFP-GFCCVEGCSA-N -1 3 236.315 2.337 20 0 BEADHM CCCC[C@H](CNC(=O)[O-])NCc1ccoc1 ZINC000826814344 587363252 /nfs/dbraw/zinc/36/32/52/587363252.db2.gz LSTMLPCEXYRAJC-LLVKDONJSA-N -1 3 240.303 2.196 20 0 BEADHM CC(C)(C(=O)[N-]OCc1cccnc1)C1CCC1 ZINC000827169713 587371797 /nfs/dbraw/zinc/37/17/97/587371797.db2.gz MUPDCQOFGKSQKG-UHFFFAOYSA-N -1 3 248.326 2.456 20 0 BEADHM C[C@H]1CCC[C@@]1(C)C(=O)[N-]OCC(F)(F)F ZINC000827243592 587373744 /nfs/dbraw/zinc/37/37/44/587373744.db2.gz NYQHVZKDEHMVHM-IONNQARKSA-N -1 3 239.237 2.423 20 0 BEADHM CCCO[N-]C(=O)Nc1ccc(C)cc1OC ZINC000828246970 587427816 /nfs/dbraw/zinc/42/78/16/587427816.db2.gz ILNYVMQFNBSBTQ-UHFFFAOYSA-N -1 3 238.287 2.467 20 0 BEADHM CN(C/C=C/Cl)C1CCC(NC(=O)[O-])CC1 ZINC000828267682 587429541 /nfs/dbraw/zinc/42/95/41/587429541.db2.gz XXSSHDJQISKAMZ-FARCUNLSSA-N -1 3 246.738 2.250 20 0 BEADHM O=C(Nc1ccc(C2CC2)cc1F)c1nc[n-]n1 ZINC000828621679 587454699 /nfs/dbraw/zinc/45/46/99/587454699.db2.gz LZINPCJIDJMBLK-UHFFFAOYSA-N -1 3 246.245 2.074 20 0 BEADHM CCC(CC)(CC(=O)[O-])NCc1ncc(C)o1 ZINC000828804263 587462766 /nfs/dbraw/zinc/46/27/66/587462766.db2.gz KBSQGUDNLYYECE-UHFFFAOYSA-N -1 3 240.303 2.106 20 0 BEADHM Cc1ccc(CN2CC[C@H](N(C)C(=O)[O-])C2)cc1 ZINC000830308482 587545144 /nfs/dbraw/zinc/54/51/44/587545144.db2.gz KDPSBANSUUGELK-ZDUSSCGKSA-N -1 3 248.326 2.179 20 0 BEADHM Cc1cccc([C@@H](C)N[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000830471729 587552951 /nfs/dbraw/zinc/55/29/51/587552951.db2.gz JODSOXTUVXKGRK-DGCLKSJQSA-N -1 3 248.326 2.398 20 0 BEADHM Cc1cccc2c1CC[C@@H]2NCCN(C)C(=O)[O-] ZINC000830538604 587557038 /nfs/dbraw/zinc/55/70/38/587557038.db2.gz HWTBBCJQXYLUDF-ZDUSSCGKSA-N -1 3 248.326 2.182 20 0 BEADHM Cc1ccccc1[C@@H](C)NCCN(C)C(=O)[O-] ZINC000830554717 587558169 /nfs/dbraw/zinc/55/81/69/587558169.db2.gz OXAIIDLDAYFOQS-LLVKDONJSA-N -1 3 236.315 2.255 20 0 BEADHM Cc1ccccc1CN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000830573110 587559216 /nfs/dbraw/zinc/55/92/16/587559216.db2.gz BEJVTGSLJVTOIO-CYBMUJFWSA-N -1 3 248.326 2.179 20 0 BEADHM Cc1ccccc1CN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000830573111 587559253 /nfs/dbraw/zinc/55/92/53/587559253.db2.gz BEJVTGSLJVTOIO-ZDUSSCGKSA-N -1 3 248.326 2.179 20 0 BEADHM Cc1ccsc1[C@H](C)NC1CN(C(=O)[O-])C1 ZINC000830616544 587560526 /nfs/dbraw/zinc/56/05/26/587560526.db2.gz PBADVKMQDWTZBY-QMMMGPOBSA-N -1 3 240.328 2.069 20 0 BEADHM CN(Cc1cccc(Cl)n1)C(C)(C)C(=O)[O-] ZINC000830844863 587573923 /nfs/dbraw/zinc/57/39/23/587573923.db2.gz KYDABGHOGUPYMA-UHFFFAOYSA-N -1 3 242.706 2.030 20 0 BEADHM CSCCO[N-]C(=O)C(C)(C)C1CCC1 ZINC000830991405 587580609 /nfs/dbraw/zinc/58/06/09/587580609.db2.gz VLDZSBCPHAFKBM-UHFFFAOYSA-N -1 3 231.361 2.224 20 0 BEADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)[N-]OC1CCC1 ZINC000832333299 587654710 /nfs/dbraw/zinc/65/47/10/587654710.db2.gz WBVSRSRUWRBKTK-ATZCPNFKSA-N -1 3 209.289 2.023 20 0 BEADHM CC[C@@H]([N-]C(=O)C(C)(Cl)Cl)C(F)F ZINC000833204220 587702199 /nfs/dbraw/zinc/70/21/99/587702199.db2.gz HTMDRDJEYOUCKW-SCSAIBSYSA-N -1 3 234.073 2.340 20 0 BEADHM C/C(=C\CN(C)[C@H](C)c1cccnc1)C(=O)[O-] ZINC000833381850 587712081 /nfs/dbraw/zinc/71/20/81/587712081.db2.gz FLSOJIOSSOUUHO-CDCCAWJDSA-N -1 3 234.299 2.105 20 0 BEADHM CC1(C)CCCN(Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833559834 587720152 /nfs/dbraw/zinc/72/01/52/587720152.db2.gz APIFIPIYFHIPAL-UHFFFAOYSA-N -1 3 236.315 2.335 20 0 BEADHM C[C@@H]1CC[C@H](C)N1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833601403 587723531 /nfs/dbraw/zinc/72/35/31/587723531.db2.gz BKEZBYQBICOUSC-DTORHVGOSA-N -1 3 222.288 2.086 20 0 BEADHM C[C@H]1CCCCN1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833615142 587724137 /nfs/dbraw/zinc/72/41/37/587724137.db2.gz IVLRCVPNKDFABP-VIFPVBQESA-N -1 3 222.288 2.087 20 0 BEADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@H]2C[C@H]21 ZINC000833678846 587727332 /nfs/dbraw/zinc/72/73/32/587727332.db2.gz PXXZRGZSGFAYRP-WCBMZHEXSA-N -1 3 235.283 2.134 20 0 BEADHM O=C([O-])Nc1ccc(CN2C3CCC2CC3)cn1 ZINC000834258651 587750373 /nfs/dbraw/zinc/75/03/73/587750373.db2.gz JBGBXHLJJFNBQS-UHFFFAOYSA-N -1 3 247.298 2.298 20 0 BEADHM O=C([N-]OC1CCCC1)[C@@H]1C[C@H]1c1cccnc1 ZINC000836780675 587836740 /nfs/dbraw/zinc/83/67/40/587836740.db2.gz FFIOGRQZNMKDSX-QWHCGFSZSA-N -1 3 246.310 2.176 20 0 BEADHM CC[C@H](C)CC[C@@H](O)CC(=O)[N-]OC(C)C ZINC000836797854 587837205 /nfs/dbraw/zinc/83/72/05/587837205.db2.gz CMBXPLWGLLNBPO-WDEREUQCSA-N -1 3 231.336 2.020 20 0 BEADHM C[C@H]1CCC[C@]1(C)C(=O)[N-]OC1CCC1 ZINC000836800525 587837324 /nfs/dbraw/zinc/83/73/24/587837324.db2.gz XTUFFQSMTBLPOX-CABZTGNLSA-N -1 3 211.305 2.413 20 0 BEADHM C[C@@H]1CCC[C@@H](CC(=O)[N-]OC(C)(C)CO)C1 ZINC000836802956 587837710 /nfs/dbraw/zinc/83/77/10/587837710.db2.gz AVCJGNUHZNFRML-GHMZBOCLSA-N -1 3 243.347 2.022 20 0 BEADHM C[C@H]1CCCC[C@H]1CC(=O)[N-]OC(C)(C)CO ZINC000836803036 587837735 /nfs/dbraw/zinc/83/77/35/587837735.db2.gz CDLMNSXFINPSRP-QWRGUYRKSA-N -1 3 243.347 2.022 20 0 BEADHM C[C@H](CC(=O)[N-]OC(C)(C)CO)CC(C)(C)C ZINC000836804578 587837996 /nfs/dbraw/zinc/83/79/96/587837996.db2.gz XUAWDFVHSVXGGT-SNVBAGLBSA-N -1 3 245.363 2.268 20 0 BEADHM CCCC(C)(C)CC(=O)[N-]OC(C)(C)CO ZINC000836806553 587838159 /nfs/dbraw/zinc/83/81/59/587838159.db2.gz YMLMRHSKWYCYKS-UHFFFAOYSA-N -1 3 231.336 2.022 20 0 BEADHM CC(C)C[C@@H](C)CC(=O)[N-]O[C@H](CO)C(C)C ZINC000836897983 587842261 /nfs/dbraw/zinc/84/22/61/587842261.db2.gz UBBQJLVKCWQKMR-VXGBXAGGSA-N -1 3 245.363 2.123 20 0 BEADHM CCCC(C)(C)CC(=O)[N-]O[C@H](CO)C(C)C ZINC000836901189 587842440 /nfs/dbraw/zinc/84/24/40/587842440.db2.gz WENQCXSFRJOWPA-LLVKDONJSA-N -1 3 245.363 2.268 20 0 BEADHM CC[C@@H](CC(F)F)C(=O)[N-]OCC(F)(F)F ZINC000837478264 587876083 /nfs/dbraw/zinc/87/60/83/587876083.db2.gz AKCABVFJLCKHAK-YFKPBYRVSA-N -1 3 249.179 2.278 20 0 BEADHM C[C@@H](CC(F)(F)F)C(=O)[N-]OC/C=C\Cl ZINC000837660532 587888276 /nfs/dbraw/zinc/88/82/76/587888276.db2.gz BOJZSIZVEFSFMP-GFNSNHMOSA-N -1 3 245.628 2.375 20 0 BEADHM CC[C@@H](CC(F)F)C(=O)[N-]OC/C=C\Cl ZINC000837662956 587889033 /nfs/dbraw/zinc/88/90/33/587889033.db2.gz UARBNQIMCCKOLZ-AVALRIAPSA-N -1 3 241.665 2.468 20 0 BEADHM Cc1n[n-]nc1C(=O)OCCC1=CCCCC1 ZINC000837693452 587891164 /nfs/dbraw/zinc/89/11/64/587891164.db2.gz XYLVHIVRTILTJY-UHFFFAOYSA-N -1 3 235.287 2.160 20 0 BEADHM O=C(OCC1CC1)c1cc([O-])ccc1F ZINC000837867984 587901067 /nfs/dbraw/zinc/90/10/67/587901067.db2.gz DJIPGKHLOPWGRD-UHFFFAOYSA-N -1 3 210.204 2.098 20 0 BEADHM CC(C)COC(=O)c1cc([O-])ccc1F ZINC000837869239 587901315 /nfs/dbraw/zinc/90/13/15/587901315.db2.gz NCXVIABTKPNWGB-UHFFFAOYSA-N -1 3 212.220 2.344 20 0 BEADHM O=C(OCCCCF)c1cc([O-])ccc1F ZINC000837865376 587901345 /nfs/dbraw/zinc/90/13/45/587901345.db2.gz LHXIBMPQSUQUOB-UHFFFAOYSA-N -1 3 230.210 2.438 20 0 BEADHM C[C@H](NCc1ccc([O-])c(F)c1)c1ccn(C)n1 ZINC000840723182 587917959 /nfs/dbraw/zinc/91/79/59/587917959.db2.gz NWEQLSFOVRMUIJ-VIFPVBQESA-N -1 3 249.289 2.116 20 0 BEADHM Cc1noc(C)c1CO[N-]C(=O)CC(C)(C)C ZINC000842060068 587994255 /nfs/dbraw/zinc/99/42/55/587994255.db2.gz FLSMANSFPJYVTF-UHFFFAOYSA-N -1 3 240.303 2.275 20 0 BEADHM Cc1ccc(-c2nc([C@H](N)C(C)C)no2)c([O-])c1 ZINC000843146779 588087015 /nfs/dbraw/zinc/08/70/15/588087015.db2.gz QRWBEFAKWMQEJY-LLVKDONJSA-N -1 3 247.298 2.406 20 0 BEADHM O=C(Nc1ncccc1[O-])[C@@]12C[C@@H]1CCCC2 ZINC000867340398 588155609 /nfs/dbraw/zinc/15/56/09/588155609.db2.gz BXKZSNDTCBKYCM-ZANVPECISA-N -1 3 232.283 2.306 20 0 BEADHM CCCO[N-]C(=O)Cc1ccc(C)c(OC)c1 ZINC000844080977 588161682 /nfs/dbraw/zinc/16/16/82/588161682.db2.gz QNHLDICBLUHZGZ-UHFFFAOYSA-N -1 3 237.299 2.004 20 0 BEADHM CCCO[N-]C(=O)CCc1cccc(F)c1F ZINC000844084560 588163348 /nfs/dbraw/zinc/16/33/48/588163348.db2.gz WMWKOZYAHUYSHY-UHFFFAOYSA-N -1 3 243.253 2.355 20 0 BEADHM CCCO[N-]C(=O)c1cc(F)c(F)cc1F ZINC000844086595 588164394 /nfs/dbraw/zinc/16/43/94/588164394.db2.gz UJRZYUGJXPIACB-UHFFFAOYSA-N -1 3 233.189 2.175 20 0 BEADHM CCCO[N-]C(=O)C[C@@H](C)c1cccnc1 ZINC000844087160 588164898 /nfs/dbraw/zinc/16/48/98/588164898.db2.gz XHJCPGIPWQIXOX-SNVBAGLBSA-N -1 3 222.288 2.033 20 0 BEADHM CCCO[N-]C(=O)Cc1ccc(Cl)c(F)c1 ZINC000844087204 588164907 /nfs/dbraw/zinc/16/49/07/588164907.db2.gz IEOZKOCIZPTFLX-UHFFFAOYSA-N -1 3 245.681 2.479 20 0 BEADHM CCCO[N-]C(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC000844088261 588165664 /nfs/dbraw/zinc/16/56/64/588165664.db2.gz NDOBIRFEICLCMN-WCFLWFBJSA-N -1 3 233.311 2.494 20 0 BEADHM CCCO[N-]C(=O)CCCc1nc(C)cs1 ZINC000844088349 588165774 /nfs/dbraw/zinc/16/57/74/588165774.db2.gz PKXZMRSPGPINGU-UHFFFAOYSA-N -1 3 242.344 2.232 20 0 BEADHM CCCO[N-]C(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1 ZINC000844088212 588165840 /nfs/dbraw/zinc/16/58/40/588165840.db2.gz NDOBIRFEICLCMN-KGYLQXTDSA-N -1 3 233.311 2.494 20 0 BEADHM CCCO[N-]C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000844090196 588166290 /nfs/dbraw/zinc/16/62/90/588166290.db2.gz HJARWTAKQQVBBD-QWHCGFSZSA-N -1 3 249.310 2.257 20 0 BEADHM O=C([N-]OCC(F)(F)F)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845830611 588246796 /nfs/dbraw/zinc/24/67/96/588246796.db2.gz FHAZYHGRKDPFDQ-HRDYMLBCSA-N -1 3 249.232 2.199 20 0 BEADHM CSCC1(CC(=O)[N-]OC/C=C\Cl)CC1 ZINC000846192433 588259692 /nfs/dbraw/zinc/25/96/92/588259692.db2.gz IDWGEQVEMKYIDR-DJWKRKHSSA-N -1 3 249.763 2.320 20 0 BEADHM CC(C)C[C@@H](C(=O)[O-])N(C)C/C=C/Cl ZINC000846274234 588263742 /nfs/dbraw/zinc/26/37/42/588263742.db2.gz JZVVKYLMVVJITG-MOVJSRMASA-N -1 3 219.712 2.170 20 0 BEADHM CCCO[N-]C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000846277062 588263877 /nfs/dbraw/zinc/26/38/77/588263877.db2.gz DSUGFBFKZMGHLH-OUAUKWLOSA-N -1 3 209.289 2.047 20 0 BEADHM CC(F)(F)C(=O)[N-]N1CCCc2ccccc21 ZINC000847048719 588304958 /nfs/dbraw/zinc/30/49/58/588304958.db2.gz ZRDNJHLYSFACBG-UHFFFAOYSA-N -1 3 240.253 2.126 20 0 BEADHM C/C(=C\c1ccncc1)C(=O)[N-]OC1CCC1 ZINC000848163016 588362482 /nfs/dbraw/zinc/36/24/82/588362482.db2.gz VHCXUWQQRNDEDD-MDZDMXLPSA-N -1 3 232.283 2.085 20 0 BEADHM CCCO[N-]C(=O)/C(C)=C/c1ccco1 ZINC000848238363 588366579 /nfs/dbraw/zinc/36/65/79/588366579.db2.gz NZVKQESKWZEQJF-CMDGGOBGSA-N -1 3 209.245 2.141 20 0 BEADHM C/C(=C\CN1CCc2ccc(C)cc2C1)C(=O)[O-] ZINC000849344251 588473838 /nfs/dbraw/zinc/47/38/38/588473838.db2.gz GCEPEOYCYQJKPC-LFYBBSHMSA-N -1 3 245.322 2.384 20 0 BEADHM Cc1cc(NC(=O)[N-]OCC2CC2)ccc1N ZINC000850771801 588566192 /nfs/dbraw/zinc/56/61/92/588566192.db2.gz ZXJMIFYOGZMNSW-UHFFFAOYSA-N -1 3 235.287 2.040 20 0 BEADHM O=C([O-])C1(NCC=C(Cl)Cl)CCCC1 ZINC000852725473 588697883 /nfs/dbraw/zinc/69/78/83/588697883.db2.gz GXDNJOVUUFSRDY-UHFFFAOYSA-N -1 3 238.114 2.292 20 0 BEADHM C[C@@H]1CC[C@H](C(=O)[O-])N1CC=C(Cl)Cl ZINC000852729619 588698434 /nfs/dbraw/zinc/69/84/34/588698434.db2.gz HPXSGCAMECUWAU-RNFRBKRXSA-N -1 3 238.114 2.243 20 0 BEADHM CCN(Cc1ccnc(Cl)c1)[C@@H](C)C(=O)[O-] ZINC000852729219 588698654 /nfs/dbraw/zinc/69/86/54/588698654.db2.gz AMJWMBUUJYEZGY-QMMMGPOBSA-N -1 3 242.706 2.030 20 0 BEADHM CCc1n[n-]c(Cl)c1C(=O)OC1CCC1 ZINC000860575466 589106812 /nfs/dbraw/zinc/10/68/12/589106812.db2.gz NSXZDSCBUJFGBH-UHFFFAOYSA-N -1 3 228.679 2.335 20 0 BEADHM CCc1[n-]nc(Cl)c1C(=O)OC1CCC1 ZINC000860575466 589106813 /nfs/dbraw/zinc/10/68/13/589106813.db2.gz NSXZDSCBUJFGBH-UHFFFAOYSA-N -1 3 228.679 2.335 20 0 BEADHM CCON=C([O-])Nc1ncc(Cl)cc1CC ZINC000861609260 589170293 /nfs/dbraw/zinc/17/02/93/589170293.db2.gz GQCBAFNATQIREF-UHFFFAOYSA-N -1 3 243.694 2.370 20 0 BEADHM CCO[N-]C(=O)Nc1ncc(Cl)cc1CC ZINC000861609260 589170294 /nfs/dbraw/zinc/17/02/94/589170294.db2.gz GQCBAFNATQIREF-UHFFFAOYSA-N -1 3 243.694 2.370 20 0 BEADHM CCc1cc(Cl)cnc1[N-]S(=O)(=O)CC ZINC000863450363 589288423 /nfs/dbraw/zinc/28/84/23/589288423.db2.gz ICYAKNWLVLYWED-UHFFFAOYSA-N -1 3 248.735 2.059 20 0 BEADHM CCCON=C([O-])Nc1ccc2c(n1)CCCC2 ZINC000864266441 589352968 /nfs/dbraw/zinc/35/29/68/589352968.db2.gz MVDMOJREYCLVTA-UHFFFAOYSA-N -1 3 249.314 2.424 20 0 BEADHM CCCO[N-]C(=O)Nc1ccc2c(n1)CCCC2 ZINC000864266441 589352970 /nfs/dbraw/zinc/35/29/70/589352970.db2.gz MVDMOJREYCLVTA-UHFFFAOYSA-N -1 3 249.314 2.424 20 0 BEADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000865080344 589407942 /nfs/dbraw/zinc/40/79/42/589407942.db2.gz PAZFNINIADGRIZ-GMTAPVOTSA-N -1 3 241.331 2.243 20 0 BEADHM CCCC(CCC)C(=O)[N-]C1=NCCS1 ZINC000120400174 589409403 /nfs/dbraw/zinc/40/94/03/589409403.db2.gz PWAIOHAIJBUFPZ-UHFFFAOYSA-N -1 3 228.361 2.422 20 0 BEADHM COC(=O)c1cnc(SC2CC(C)(C)C2)[n-]1 ZINC000865363067 589426054 /nfs/dbraw/zinc/42/60/54/589426054.db2.gz IGORLCXFIKYNIC-UHFFFAOYSA-N -1 3 240.328 2.477 20 0 BEADHM 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/nfs/dbraw/zinc/70/10/61/606701061.db2.gz GYVRGWLELDCYKI-SECBINFHSA-N -1 3 232.287 2.292 20 0 BEADHM CC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000095274716 606983505 /nfs/dbraw/zinc/98/35/05/606983505.db2.gz FSGIZGRGQCGZFW-SECBINFHSA-N -1 3 231.303 2.325 20 0 BEADHM C[C@H]1CCC[C@H](Cn2ccc(-c3nnn[n-]3)c2)C1 ZINC000824925588 609380384 /nfs/dbraw/zinc/38/03/84/609380384.db2.gz FKIABULRYKROAQ-QWRGUYRKSA-N -1 3 245.330 2.495 20 0 BEADHM C[C@H]1CCC[C@H](Cn2ccc(-c3nn[n-]n3)c2)C1 ZINC000824925588 609380385 /nfs/dbraw/zinc/38/03/85/609380385.db2.gz FKIABULRYKROAQ-QWRGUYRKSA-N -1 3 245.330 2.495 20 0 BEADHM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)C(F)F ZINC001259963398 992066477 /nfs/dbraw/zinc/06/64/77/992066477.db2.gz XBBAXIVDPMTHPS-UHFFFAOYSA-N -1 3 243.319 2.343 20 0 BEADHM CC[C@H](C)CN(CC)Cc1cc(C(=O)[O-])no1 ZINC000093251537 634490383 /nfs/dbraw/zinc/49/03/83/634490383.db2.gz ZIJNCGDOAMDIAU-VIFPVBQESA-N -1 3 240.303 2.241 20 0 BEADHM CS[C@@H]1CC[C@@H](Nc2cc(=O)[n-]c(C)n2)C1 ZINC000235104107 635566953 /nfs/dbraw/zinc/56/69/53/635566953.db2.gz MWSKVGSVVATHFU-RKDXNWHRSA-N -1 3 239.344 2.187 20 0 BEADHM CS[C@H]1CC[C@@H](Nc2cc(=O)[n-]c(C)n2)C1 ZINC000235061073 631910993 /nfs/dbraw/zinc/91/09/93/631910993.db2.gz MWSKVGSVVATHFU-BDAKNGLRSA-N -1 3 239.344 2.187 20 0 BEADHM CCCCSCC(=O)Nc1ncccc1[O-] ZINC000023114454 632040092 /nfs/dbraw/zinc/04/00/92/632040092.db2.gz CGJIMBIOKOQXHC-UHFFFAOYSA-N -1 3 240.328 2.259 20 0 BEADHM CS[C@@H]1CC[C@H](Nc2cc(=O)[n-]c(C)n2)C1 ZINC000235170870 632427161 /nfs/dbraw/zinc/42/71/61/632427161.db2.gz MWSKVGSVVATHFU-DTWKUNHWSA-N -1 3 239.344 2.187 20 0 BEADHM Cc1oc(CNCCc2ccco2)cc1C(=O)[O-] ZINC000235973331 632857021 /nfs/dbraw/zinc/85/70/21/632857021.db2.gz IQCGQJRQPDYAHN-UHFFFAOYSA-N -1 3 249.266 2.212 20 0 BEADHM CC(C)(C)CC(=O)[N-]OCCC(F)(F)F ZINC000162606850 633033031 /nfs/dbraw/zinc/03/30/31/633033031.db2.gz GRLILITZILHONC-UHFFFAOYSA-N -1 3 227.226 2.423 20 0 BEADHM Cc1nc(NC[C@@H]2CCCCS2)cc(=O)[n-]1 ZINC000165872129 633101659 /nfs/dbraw/zinc/10/16/59/633101659.db2.gz WCULHNYLWJYOFL-VIFPVBQESA-N -1 3 239.344 2.188 20 0 BEADHM O=C([N-]OCc1ccccn1)[C@@]12C[C@@H]1CCCC2 ZINC000909517110 636137359 /nfs/dbraw/zinc/13/73/59/636137359.db2.gz APIAPWVWYLJONK-FZMZJTMJSA-N -1 3 246.310 2.210 20 0 BEADHM CO[N-]C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000180634510 633898547 /nfs/dbraw/zinc/89/85/47/633898547.db2.gz OETCXUDNTRIOCW-UHFFFAOYSA-N -1 3 239.237 2.423 20 0 BEADHM CC(C)[C@]1(C)C[C@@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000185803538 634060687 /nfs/dbraw/zinc/06/06/87/634060687.db2.gz RLMDXTFYBKHOBA-WZRBSPASSA-N -1 3 241.331 2.243 20 0 BEADHM CC(C)C[C@@H](C)CC(=O)[N-]OC[C@H]1CCOC1 ZINC000191815473 634222147 /nfs/dbraw/zinc/22/21/47/634222147.db2.gz VIHHZELIZYPIBB-NEPJUHHUSA-N -1 3 243.347 2.143 20 0 BEADHM CCC[C@@H]1C[C@H]1NCc1ccc(C(=O)[O-])cn1 ZINC000233307230 635530383 /nfs/dbraw/zinc/53/03/83/635530383.db2.gz HRJROXAJJRIHJJ-BXKDBHETSA-N -1 3 234.299 2.058 20 0 BEADHM C[C@H](NCc1cocn1)c1cc([O-])cc(F)c1 ZINC000925870136 635584786 /nfs/dbraw/zinc/58/47/86/635584786.db2.gz UOKJLEZBUQQKHJ-QMMMGPOBSA-N -1 3 236.246 2.370 20 0 BEADHM C[C@H]1CCC[C@@H]1CC(=O)[N-]OCc1ccccn1 ZINC000909540046 636233291 /nfs/dbraw/zinc/23/32/91/636233291.db2.gz KUWNVKMBABWPPZ-NWDGAFQWSA-N -1 3 248.326 2.456 20 0 BEADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)[N-]OCc1ccccn1 ZINC000909544513 636238768 /nfs/dbraw/zinc/23/87/68/636238768.db2.gz PPLRQDHFTMRPRF-GMXVVIOVSA-N -1 3 246.310 2.066 20 0 BEADHM CC(C)CCCC(=O)[N-]OCc1ccccn1 ZINC000909545181 636241081 /nfs/dbraw/zinc/24/10/81/636241081.db2.gz YVHQFGDBCNVDRZ-UHFFFAOYSA-N -1 3 236.315 2.456 20 0 BEADHM CC[C@H]1CCCCN1Cc1cc(C(=O)[O-])no1 ZINC000042416976 637240134 /nfs/dbraw/zinc/24/01/34/637240134.db2.gz LDKZYRMWAYXRDP-VIFPVBQESA-N -1 3 238.287 2.137 20 0 BEADHM CCc1noc([N-]Cc2cc(C)co2)n1 ZINC000905413277 637801699 /nfs/dbraw/zinc/80/16/99/637801699.db2.gz OVCCYBDPWLNLTK-UHFFFAOYSA-N -1 3 207.233 2.146 20 0 BEADHM CC[C@@H](C)CONC(=O)c1c(C)[n-]nc1Cl ZINC000908350746 638662452 /nfs/dbraw/zinc/66/24/52/638662452.db2.gz AKPRFFULXQEFCA-ZCFIWIBFSA-N -1 3 245.710 2.079 20 0 BEADHM CC(C)O[N-]C(=O)CCCC(=O)c1ccccc1 ZINC000908570111 639020978 /nfs/dbraw/zinc/02/09/78/639020978.db2.gz LSZIBZSVRYYHCD-UHFFFAOYSA-N -1 3 249.310 2.496 20 0 BEADHM Cc1noc(C)c1COC(=O)c1ccc([O-])cc1 ZINC000035568003 639687187 /nfs/dbraw/zinc/68/71/87/639687187.db2.gz JYSATQVHMUKWLK-UHFFFAOYSA-N -1 3 247.250 2.354 20 0 BEADHM Cc1nc(N2CCC[C@H](C)CC2)cc(=O)[n-]1 ZINC000165416444 640575019 /nfs/dbraw/zinc/57/50/19/640575019.db2.gz QXXBIBHJPNKHDB-VIFPVBQESA-N -1 3 221.304 2.117 20 0 BEADHM CC1(C)C([N-]C(=O)C(F)(F)C(F)F)C1(C)C ZINC000226699528 640790410 /nfs/dbraw/zinc/79/04/10/640790410.db2.gz KTAFGWHNWCPYDG-UHFFFAOYSA-N -1 3 241.228 2.438 20 0 BEADHM COc1cccc([O-])c1C(=O)NCCC(C)C ZINC000170248582 640894250 /nfs/dbraw/zinc/89/42/50/640894250.db2.gz VTHHFHGBUIQBQD-UHFFFAOYSA-N -1 3 237.299 2.177 20 0 BEADHM Cc1nc(NC[C@@H]2CC[C@@H](C)C2)cc(=O)[n-]1 ZINC000230430918 641055461 /nfs/dbraw/zinc/05/54/61/641055461.db2.gz IXIRTHORSDAKGB-PSASIEDQSA-N -1 3 221.304 2.339 20 0 BEADHM CC[C@@H]1CN(Cc2ccc([O-])c(F)c2)CCO1 ZINC000232449607 641274031 /nfs/dbraw/zinc/27/40/31/641274031.db2.gz ZFSVHMOGYBFIKD-LLVKDONJSA-N -1 3 239.290 2.142 20 0 BEADHM CC1(C(=O)[N-]OC2CCCC2)CC=CC1 ZINC000935238851 641372161 /nfs/dbraw/zinc/37/21/61/641372161.db2.gz GSEALWWDAUDXJR-UHFFFAOYSA-N -1 3 209.289 2.333 20 0 BEADHM O=C([N-]OCc1ccccc1)Nc1nccs1 ZINC000042754804 641558613 /nfs/dbraw/zinc/55/86/13/641558613.db2.gz CMHVWPHVYJMFGB-UHFFFAOYSA-N -1 3 249.295 2.396 20 0 BEADHM CC(C)CO[N-]C(=O)CCc1ccc(C#N)cc1 ZINC000153393002 641776623 /nfs/dbraw/zinc/77/66/23/641776623.db2.gz RSGMCJXBHABRJS-UHFFFAOYSA-N -1 3 246.310 2.195 20 0 BEADHM [O-]C(=CC(F)(F)F)Nn1cnc2ccccc21 ZINC000915056533 641795801 /nfs/dbraw/zinc/79/58/01/641795801.db2.gz OTZFESZEHXZPNT-UHFFFAOYSA-N -1 3 243.188 2.059 20 0 BEADHM O=C(OCc1cccc(F)c1)c1cncc([O-])c1 ZINC000731915905 641820811 /nfs/dbraw/zinc/82/08/11/641820811.db2.gz NAGSPKOYUJCRED-UHFFFAOYSA-N -1 3 247.225 2.283 20 0 BEADHM Cc1ccccc1COC(=O)c1cncc([O-])c1 ZINC000731916401 641821897 /nfs/dbraw/zinc/82/18/97/641821897.db2.gz TVPVVKZSHXENKC-UHFFFAOYSA-N -1 3 243.262 2.453 20 0 BEADHM Cc1[n-]n(Cc2ccc(F)c(F)c2)c(=O)c1F ZINC000917345972 642045815 /nfs/dbraw/zinc/04/58/15/642045815.db2.gz SYEWQOZLWUXOAT-SNVBAGLBSA-N -1 3 242.200 2.021 20 0 BEADHM O=C1[N-]C(=O)/C(=C/c2ccccc2)c2ccccc21 ZINC000033369137 642104543 /nfs/dbraw/zinc/10/45/43/642104543.db2.gz ZPLIHFGNPOPRRQ-GXDHUFHOSA-N -1 3 249.269 2.497 20 0 BEADHM O=C1[N-]C(=O)C(=Cc2c(F)cccc2F)S1 ZINC000033751553 642340191 /nfs/dbraw/zinc/34/01/91/642340191.db2.gz KSUQQPMAKGYQEG-XBXARRHUSA-N -1 3 241.218 2.289 20 0 BEADHM CSC[C@@H](C)NCc1cc(C(=O)[O-])c(C)o1 ZINC000235031641 643252563 /nfs/dbraw/zinc/25/25/63/643252563.db2.gz WGCOBSZCKSOTDI-SSDOTTSWSA-N -1 3 243.328 2.127 20 0 BEADHM CC(F)(F)CCC(=O)[N-]OC1CCC1 ZINC000812789855 643378567 /nfs/dbraw/zinc/37/85/67/643378567.db2.gz NJICUXWKZAZIDI-UHFFFAOYSA-N -1 3 207.220 2.022 20 0 BEADHM CC(=O)[C@H](C)CCCCC(=O)[N-]OC1CCC1 ZINC000812790649 643379582 /nfs/dbraw/zinc/37/95/82/643379582.db2.gz CCMCPIUMVUZBHL-SNVBAGLBSA-N -1 3 241.331 2.372 20 0 BEADHM CSCC(C)(C)NC(=O)c1ccccc1[O-] ZINC000890876990 643394440 /nfs/dbraw/zinc/39/44/40/643394440.db2.gz UKZNVAQQGMGIOY-UHFFFAOYSA-N -1 3 239.340 2.264 20 0 BEADHM Cc1ccoc1C(=O)[N-]c1nc(C2CC2)no1 ZINC000734874867 643508381 /nfs/dbraw/zinc/50/83/81/643508381.db2.gz NESCWTQVDSTGLT-UHFFFAOYSA-N -1 3 233.227 2.101 20 0 BEADHM CCO[N-]C(=O)CCCc1sccc1C ZINC000160423421 643579590 /nfs/dbraw/zinc/57/95/90/643579590.db2.gz VBRTXBUGDYFVQP-UHFFFAOYSA-N -1 3 227.329 2.447 20 0 BEADHM O=C(/C=C/c1ccco1)Nc1ncccc1[O-] ZINC000192734032 644179132 /nfs/dbraw/zinc/17/91/32/644179132.db2.gz ZBJCMAPURXSXIW-AATRIKPKSA-N -1 3 230.223 2.032 20 0 BEADHM CO[C@H](C)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000194627113 644334773 /nfs/dbraw/zinc/33/47/73/644334773.db2.gz GBKQVEJLDBIBIO-SSDOTTSWSA-N -1 3 243.690 2.409 20 0 BEADHM CO[C@@H](C)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000194627101 644335548 /nfs/dbraw/zinc/33/55/48/644335548.db2.gz GBKQVEJLDBIBIO-ZETCQYMHSA-N -1 3 243.690 2.409 20 0 BEADHM O=C([O-])/C=C/c1ccc(CN2CCCCC2)o1 ZINC000084044455 644415798 /nfs/dbraw/zinc/41/57/98/644415798.db2.gz BCNIFKSBAJITEI-VOTSOKGWSA-N -1 3 235.283 2.363 20 0 BEADHM CCC(CC)OC(=O)c1cncc([O-])c1 ZINC000754816394 644614259 /nfs/dbraw/zinc/61/42/59/644614259.db2.gz ODCKOMVWNKFOND-UHFFFAOYSA-N -1 3 209.245 2.133 20 0 BEADHM CCC/C(C)=C/C(=O)NCc1ncccc1[O-] ZINC000792611144 644798934 /nfs/dbraw/zinc/79/89/34/644798934.db2.gz YKXMTIBMEVORFJ-CSKARUKUSA-N -1 3 234.299 2.150 20 0 BEADHM CCCCCCC(=O)NCc1ncccc1[O-] ZINC000792610135 644799465 /nfs/dbraw/zinc/79/94/65/644799465.db2.gz MQAXJCYECFXBOI-UHFFFAOYSA-N -1 3 236.315 2.374 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CCCC[C@H]1C ZINC000096785590 644836664 /nfs/dbraw/zinc/83/66/64/644836664.db2.gz BRJIAISOZWZFSM-SNVBAGLBSA-N -1 3 249.310 2.415 20 0 BEADHM CC[C@H]([N-]C(=O)C(C)(F)F)c1nccs1 ZINC000808463304 644882310 /nfs/dbraw/zinc/88/23/10/644882310.db2.gz ZWZDWUZEVSOHMA-LURJTMIESA-N -1 3 234.271 2.366 20 0 BEADHM COC(=O)c1cc(C(=O)OCC2=CCCC2)c[n-]1 ZINC000816057817 644956344 /nfs/dbraw/zinc/95/63/44/644956344.db2.gz QFYGKERHJPFJFL-UHFFFAOYSA-N -1 3 249.266 2.068 20 0 BEADHM C[C@H]1CCC[C@H]1CC(=O)[N-]OCC1CC1 ZINC000817354352 644974198 /nfs/dbraw/zinc/97/41/98/644974198.db2.gz JXOVQYRBVMHKFD-ONGXEEELSA-N -1 3 211.305 2.271 20 0 BEADHM Cc1cccc(CC(=O)[N-]OCCC2CC2)c1 ZINC000817399549 644977197 /nfs/dbraw/zinc/97/71/97/644977197.db2.gz QRMCZYFNOSPAGA-UHFFFAOYSA-N -1 3 233.311 2.385 20 0 BEADHM CC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011808706 645623846 /nfs/dbraw/zinc/62/38/46/645623846.db2.gz XBQWCQWNWMKBNI-UHFFFAOYSA-N -1 3 236.054 2.067 20 0 BEADHM O=C([O-])CCN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880538050 645836604 /nfs/dbraw/zinc/83/66/04/645836604.db2.gz ISFOMUDCOSDPAC-GWCFXTLKSA-N -1 3 231.295 2.395 20 0 BEADHM CCO[N-]C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC000929712448 646267128 /nfs/dbraw/zinc/26/71/28/646267128.db2.gz MBBIGZYSURKJFD-OLZOCXBDSA-N -1 3 233.311 2.323 20 0 BEADHM CC[S@](C)(=O)=NC(=O)c1cc2occc2[n-]1 ZINC000925834950 646503578 /nfs/dbraw/zinc/50/35/78/646503578.db2.gz JZUUHYXMUMBLNG-INIZCTEOSA-N -1 3 240.284 2.019 20 0 BEADHM C[C@H]1CCN(Cc2cccs2)[C@H](C(=O)[O-])C1 ZINC000167604818 711830191 /nfs/dbraw/zinc/83/01/91/711830191.db2.gz WMMJAPCYSNLRDG-ONGXEEELSA-N -1 3 239.340 2.433 20 0 BEADHM C[C@@H](CC1CCC1)Nc1cc(=O)[n-]cn1 ZINC000710294172 712250755 /nfs/dbraw/zinc/25/07/55/712250755.db2.gz ZCKUESNIKLMXTQ-QMMMGPOBSA-N -1 3 207.277 2.173 20 0 BEADHM CC1(C)CCN(Cc2cncc(C(=O)[O-])c2)C1 ZINC000721537614 710680758 /nfs/dbraw/zinc/68/07/58/710680758.db2.gz APUMKPCDPHQADX-UHFFFAOYSA-N -1 3 234.299 2.012 20 0 BEADHM Cc1oc(C(=O)[O-])cc1CN1CCC=C(C)C1 ZINC000382522534 710946033 /nfs/dbraw/zinc/94/60/33/710946033.db2.gz BWEWTKWPZKBHPY-UHFFFAOYSA-N -1 3 235.283 2.438 20 0 BEADHM C[C@@H](NCc1ccc([O-])c(F)c1)C(F)F ZINC000389972455 711101940 /nfs/dbraw/zinc/10/19/40/711101940.db2.gz XEEFZOZZDBMDKH-ZCFIWIBFSA-N -1 3 219.206 2.275 20 0 BEADHM CCC[C@@H](C)C(=O)[N-]OCCC(F)(F)F ZINC000162897402 711680781 /nfs/dbraw/zinc/68/07/81/711680781.db2.gz BOKYTUAKMJJZTI-SSDOTTSWSA-N -1 3 227.226 2.423 20 0 BEADHM Cc1nc(N2CCC[C@H](CCF)C2)cc(=O)[n-]1 ZINC000701711761 712027643 /nfs/dbraw/zinc/02/76/43/712027643.db2.gz DXZRCGZEVAASGW-SNVBAGLBSA-N -1 3 239.294 2.067 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CCC(F)CC1 ZINC000706619567 712151054 /nfs/dbraw/zinc/15/10/54/712151054.db2.gz YVZDZXASVGOUHY-UHFFFAOYSA-N -1 3 237.274 2.275 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C=CCC1 ZINC000706636845 712152191 /nfs/dbraw/zinc/15/21/91/712152191.db2.gz DYJFDRMLTOVVRJ-SNVBAGLBSA-N -1 3 217.268 2.149 20 0 BEADHM O=C([O-])c1occc1CN1CCC[C@H](CF)C1 ZINC000711452958 712304242 /nfs/dbraw/zinc/30/42/42/712304242.db2.gz HYDLMKBYVWQMDW-SECBINFHSA-N -1 3 241.262 2.159 20 0 BEADHM O=C([O-])c1cc(CN2CC[C@@H](CF)C2)cs1 ZINC000711501971 712307654 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ZINC001602975319 979353407 /nfs/dbraw/zinc/35/34/07/979353407.db2.gz LPDDADXCXQYQRR-RXLGXGPVSA-N -1 3 240.328 2.133 20 0 BEADHM Cc1nc(Nc2cccc(O)c2F)cc(=O)[n-]1 ZINC001212546465 1168394582 /nfs/dbraw/zinc/39/45/82/1168394582.db2.gz LVMVGKAPYFIOGP-UHFFFAOYSA-N -1 3 235.218 2.079 20 0 BEADHM O=C([O-])CC1(NCc2cc(F)ccc2F)CC1 ZINC001608687818 980263321 /nfs/dbraw/zinc/26/33/21/980263321.db2.gz JHYQZDZLKCPBAG-UHFFFAOYSA-N -1 3 241.237 2.062 20 0 BEADHM Nc1cnccc1-c1c([O-])cccc1F ZINC001245652494 1168604392 /nfs/dbraw/zinc/60/43/92/1168604392.db2.gz DHAOCGUQSBMNRL-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM C[C@@H](CC(=O)[O-])[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC001589004256 982567802 /nfs/dbraw/zinc/56/78/02/982567802.db2.gz BLFGNDMIAFKTST-YUMQZZPRSA-N -1 3 241.262 2.045 20 0 BEADHM Cc1ccsc1CNc1nc(C)cc(=O)[n-]1 ZINC001354089010 983146789 /nfs/dbraw/zinc/14/67/89/983146789.db2.gz GPFOSTMBGZCDAV-UHFFFAOYSA-N -1 3 235.312 2.473 20 0 BEADHM COC[C@H](C)Oc1cc(C(C)=O)ccc1[O-] ZINC001225997271 974756308 /nfs/dbraw/zinc/75/63/08/974756308.db2.gz CNVVFNFYVSOTOL-QMMMGPOBSA-N -1 3 224.256 2.009 20 0 BEADHM Cc1cc(O)cc(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001215507243 970774109 /nfs/dbraw/zinc/77/41/09/970774109.db2.gz CRDXMSRUXUWFHS-UHFFFAOYSA-N -1 3 249.295 2.229 20 0 BEADHM CSCCCC(=O)[N-]OC1CCCC1 ZINC000402381393 970789860 /nfs/dbraw/zinc/78/98/60/970789860.db2.gz MVYCZZKCXOQFCB-UHFFFAOYSA-N -1 3 217.334 2.120 20 0 BEADHM [O-]c1cccc(-c2ccc3c(n2)NCCO3)c1F ZINC001243545332 970792814 /nfs/dbraw/zinc/79/28/14/970792814.db2.gz FBSZWROSAPXWMG-UHFFFAOYSA-N -1 3 246.241 2.398 20 0 BEADHM C[C@@H]1C[C@H]1c1nnc(-c2cc(Cl)n[n-]2)o1 ZINC001256717556 970933784 /nfs/dbraw/zinc/93/37/84/970933784.db2.gz HRNUYSAEFRQZLG-RFZPGFLSSA-N -1 3 224.651 2.237 20 0 BEADHM Cc1cc(C)c(N)c(Nc2cc(=O)[n-]c(C)n2)c1 ZINC001216095606 970937386 /nfs/dbraw/zinc/93/73/86/970937386.db2.gz BVBPVNIHSDPMHE-UHFFFAOYSA-N -1 3 244.298 2.433 20 0 BEADHM Cc1nnc([N-]c2cc(C)cc(C)c2N)o1 ZINC001216096576 970938693 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/nfs/dbraw/zinc/78/88/42/971788842.db2.gz JXKDQYYOZZXNBZ-ONEGZZNKSA-N -1 3 233.250 2.341 20 0 BEADHM CCC=CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001170772919 971788846 /nfs/dbraw/zinc/78/88/46/971788846.db2.gz JXKDQYYOZZXNBZ-ONEGZZNKSA-N -1 3 233.250 2.341 20 0 BEADHM CC(F)(F)CCNCc1ccc(C(=O)[O-])o1 ZINC000382144790 971800817 /nfs/dbraw/zinc/80/08/17/971800817.db2.gz BTSHJQZCRGSVPO-UHFFFAOYSA-N -1 3 233.214 2.113 20 0 BEADHM [O-]c1ccc(Cl)c(OC[C@H]2C[C@H](O)C2)c1F ZINC001218431201 971809159 /nfs/dbraw/zinc/80/91/59/971809159.db2.gz ZMHZDBXQRBVQPV-LJGSYFOKSA-N -1 3 246.665 2.334 20 0 BEADHM [O-]c1cc(Cl)cc(F)c1OC[C@H]1C[C@@H](O)C1 ZINC001218434503 971813903 /nfs/dbraw/zinc/81/39/03/971813903.db2.gz KSUKLNLGHXSLMQ-WRXNHJIOSA-N -1 3 246.665 2.334 20 0 BEADHM CC(C)C[C@@H]1C[C@H]1NCc1ccc(C(=O)[O-])cn1 ZINC000385409474 971999726 /nfs/dbraw/zinc/99/97/26/971999726.db2.gz YSPZANXSKTUDCM-DGCLKSJQSA-N -1 3 248.326 2.304 20 0 BEADHM COc1ncnc(C)c1-c1cc([O-])cc(F)c1 ZINC001241271673 1169716944 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CC1(C(=O)[O-])CN(Cc2cc3ccccc3o2)C1 ZINC000399280977 973208030 /nfs/dbraw/zinc/20/80/30/973208030.db2.gz YIAIEYJCSKTIOC-UHFFFAOYSA-N -1 3 245.278 2.339 20 0 BEADHM CC(C)(C)c1nnc([N-]C(=O)c2ccco2)o1 ZINC001147082521 973420646 /nfs/dbraw/zinc/42/06/46/973420646.db2.gz IFBYNZQGBHKJII-UHFFFAOYSA-N -1 3 235.243 2.212 20 0 BEADHM Cc1ccsc1C(=O)Nc1cncc([O-])c1 ZINC001147107482 973437749 /nfs/dbraw/zinc/43/77/49/973437749.db2.gz WTELARNQCWKOHB-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM O=C(Nc1cc([O-])cc(Cl)c1)c1c[nH]cn1 ZINC001147253272 973480567 /nfs/dbraw/zinc/48/05/67/973480567.db2.gz YTTYOHNYCQXIEE-UHFFFAOYSA-N -1 3 237.646 2.021 20 0 BEADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ncccn1 ZINC001147420263 973620617 /nfs/dbraw/zinc/62/06/17/973620617.db2.gz MBGCKJLQJOGOAC-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM Cc1ccc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)o1 ZINC000405498012 973891725 /nfs/dbraw/zinc/89/17/25/973891725.db2.gz RGHAONBBCXLIKY-LBPRGKRZSA-N -1 3 249.310 2.275 20 0 BEADHM CC(C)O[N-]C(=O)C[C@H]1CCC(F)(F)C1 ZINC001330789116 974472269 /nfs/dbraw/zinc/47/22/69/974472269.db2.gz HBWRVWDSHMGWJZ-MRVPVSSYSA-N -1 3 221.247 2.268 20 0 BEADHM CCCO[N-]C(=O)/C=C(\C)c1ccco1 ZINC001330872774 974516251 /nfs/dbraw/zinc/51/62/51/974516251.db2.gz MSVVYGAVFRRHTN-CMDGGOBGSA-N -1 3 209.245 2.141 20 0 BEADHM CC[C@H](C)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225578239 974564530 /nfs/dbraw/zinc/56/45/30/974564530.db2.gz CJDFNSPMSLNFNK-YFKPBYRVSA-N -1 3 236.193 2.378 20 0 BEADHM CC(=O)c1ccc([O-])cc1O[C@@H]1CCCN(C)C1 ZINC001225617189 974599724 /nfs/dbraw/zinc/59/97/24/974599724.db2.gz VMPYMCQOLLGJRW-GFCCVEGCSA-N -1 3 249.310 2.068 20 0 BEADHM CC(=O)c1ccc([O-])c(O[C@H]2CCCOC2)c1 ZINC001225998254 974758615 /nfs/dbraw/zinc/75/86/15/974758615.db2.gz JXTQOFXYHVGDFV-NSHDSACASA-N -1 3 236.267 2.153 20 0 BEADHM CC(=O)c1ccc([O-])c(O[C@H]2CCCCC2=O)c1 ZINC001225994231 974758655 /nfs/dbraw/zinc/75/86/55/974758655.db2.gz LZAWMAXYDAEQEB-ZDUSSCGKSA-N -1 3 248.278 2.485 20 0 BEADHM Cc1c(O[C@H](C)c2cccnc2)nc[n-]c1=O ZINC001226070578 974774289 /nfs/dbraw/zinc/77/42/89/974774289.db2.gz BBKMNNAMHMMYBV-SECBINFHSA-N -1 3 231.255 2.026 20 0 BEADHM CCCC[C@H](C)Oc1nc[n-]c(=O)c1C ZINC001226070760 974775483 /nfs/dbraw/zinc/77/54/83/974775483.db2.gz DVWQWPKDWQLBGD-QMMMGPOBSA-N -1 3 210.277 2.448 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@@H](C)CC(C)C ZINC001226070610 974775506 /nfs/dbraw/zinc/77/55/06/974775506.db2.gz BVCNBDHISQBCPH-QMMMGPOBSA-N -1 3 210.277 2.304 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@H](C)c1ccncc1F ZINC001226077820 974779106 /nfs/dbraw/zinc/77/91/06/974779106.db2.gz XRJJYWUIAKKWRO-MRVPVSSYSA-N -1 3 249.245 2.165 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@H](C)c1ncccc1F ZINC001226077710 974779386 /nfs/dbraw/zinc/77/93/86/974779386.db2.gz VFJWPUNLQKBIBR-MRVPVSSYSA-N -1 3 249.245 2.165 20 0 BEADHM CC[C@@H](Oc1[n-]c(=O)nnc1C)C(C)(C)C ZINC001226461211 974905303 /nfs/dbraw/zinc/90/53/03/974905303.db2.gz LJEHVSZOSNCZBL-MRVPVSSYSA-N -1 3 225.292 2.089 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001226461354 974911872 /nfs/dbraw/zinc/91/18/72/974911872.db2.gz OLTZBRMDTSGHRF-KHQFGBGNSA-N -1 3 237.303 2.089 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@@H](C)c1ccc(F)cc1 ZINC001226460971 974912948 /nfs/dbraw/zinc/91/29/48/974912948.db2.gz ILHAERYMNQKOMU-QMMMGPOBSA-N -1 3 249.245 2.165 20 0 BEADHM Cc1nnc(=O)[n-]c1OC1[C@H](C)CCC[C@H]1C ZINC001226464215 974913952 /nfs/dbraw/zinc/91/39/52/974913952.db2.gz NKWKJWFYQXRTNM-HTQZYQBOSA-N -1 3 237.303 2.089 20 0 BEADHM Cc1nnc(=O)[n-]c1OC1C[C@@H](C)C[C@H](C)C1 ZINC001226461677 974914012 /nfs/dbraw/zinc/91/40/12/974914012.db2.gz TZGNXMHDUGSISO-YUMQZZPRSA-N -1 3 237.303 2.089 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@@H](C)CCCC(C)C ZINC001226464339 974914094 /nfs/dbraw/zinc/91/40/94/974914094.db2.gz OJLCKUQKHDRDII-VIFPVBQESA-N -1 3 239.319 2.479 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@H]1[C@H](C)CCC[C@@H]1C ZINC001226464216 974914361 /nfs/dbraw/zinc/91/43/61/974914361.db2.gz NKWKJWFYQXRTNM-MBTKJCJQSA-N -1 3 237.303 2.089 20 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CC1(C)CC[C@@H](COc2ccnc(=S)[n-]2)O1 ZINC001226937083 975163936 /nfs/dbraw/zinc/16/39/36/975163936.db2.gz MYUZKLIKWGJROR-QMMMGPOBSA-N -1 3 240.328 2.102 20 0 BEADHM O=c1cc(O[C@H](c2cccnc2)C2CC2)nc[n-]1 ZINC001226943932 975170331 /nfs/dbraw/zinc/17/03/31/975170331.db2.gz ATZNNUOZBJJOMP-ZDUSSCGKSA-N -1 3 243.266 2.107 20 0 BEADHM COc1cccc([C@H](C)Oc2cc(=O)[n-]cn2)c1 ZINC001226944739 975170460 /nfs/dbraw/zinc/17/04/60/975170460.db2.gz JFOYAKIPKQRASO-VIFPVBQESA-N -1 3 246.266 2.331 20 0 BEADHM C[C@H](Oc1cc(=O)[n-]cn1)C1CCCC1 ZINC001226944469 975171196 /nfs/dbraw/zinc/17/11/96/975171196.db2.gz GKYGCRIJZHKLSD-QMMMGPOBSA-N -1 3 208.261 2.140 20 0 BEADHM O=c1cc(O[C@@H]2CCc3ccccc32)nc[n-]1 ZINC001226944499 975171745 /nfs/dbraw/zinc/17/17/45/975171745.db2.gz GRDCNSJCOHYWRV-LLVKDONJSA-N -1 3 228.251 2.249 20 0 BEADHM O=c1[n-]cncc1OC1CCC(F)(F)CC1 ZINC001227048822 975237642 /nfs/dbraw/zinc/23/76/42/975237642.db2.gz KXLIDUIZAKDRCX-UHFFFAOYSA-N -1 3 230.214 2.139 20 0 BEADHM O=c1ccc(O[C@H]2CC3CCC2CC3)n[n-]1 ZINC001227092540 975265873 /nfs/dbraw/zinc/26/58/73/975265873.db2.gz BOEWPVGTDAQASV-RTBKNWGFSA-N -1 3 220.272 2.140 20 0 BEADHM Cc1cnc(F)c([C@@H](C)Oc2ccc(=O)[n-]n2)c1 ZINC001227093765 975265946 /nfs/dbraw/zinc/26/59/46/975265946.db2.gz RKDUXEHYSMIJTQ-MRVPVSSYSA-N -1 3 249.245 2.165 20 0 BEADHM C[C@H](COc1ccccc1)Oc1ccc(=O)[n-]n1 ZINC001227094214 975267025 /nfs/dbraw/zinc/26/70/25/975267025.db2.gz CLYJNXTYVICQKV-SNVBAGLBSA-N -1 3 246.266 2.029 20 0 BEADHM CCC[C@H](Oc1ccc(=O)[n-]n1)C(C)C ZINC001227095090 975267197 /nfs/dbraw/zinc/26/71/97/975267197.db2.gz MLDGDMNNLIYYDS-VIFPVBQESA-N -1 3 210.277 2.386 20 0 BEADHM O=c1ccc(O[C@H]2CCCc3cccnc32)n[n-]1 ZINC001227094249 975270124 /nfs/dbraw/zinc/27/01/24/975270124.db2.gz CVBYVAZJPPWPMD-JTQLQIEISA-N -1 3 243.266 2.034 20 0 BEADHM C[C@H](Oc1ccc(=O)[n-]n1)c1cccc(F)c1 ZINC001227094767 975270547 /nfs/dbraw/zinc/27/05/47/975270547.db2.gz KIQUCRDXFWBCEL-QMMMGPOBSA-N -1 3 234.230 2.461 20 0 BEADHM 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C=Cc1c[n-]c(=O)nc1O[C@@H](C)COCCC ZINC001227714454 975642881 /nfs/dbraw/zinc/64/28/81/975642881.db2.gz XGHXQZJPSAPQND-VIFPVBQESA-N -1 3 238.287 2.019 20 0 BEADHM CCC(CC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227819818 975715647 /nfs/dbraw/zinc/71/56/47/975715647.db2.gz IJCXIHJLFOTODG-UHFFFAOYSA-N -1 3 239.271 2.141 20 0 BEADHM CN(C)c1nc(Nc2ccccc2F)cc(=O)[n-]1 ZINC001173845646 975734197 /nfs/dbraw/zinc/73/41/97/975734197.db2.gz HJBLJYMFZWAOGT-UHFFFAOYSA-N -1 3 248.261 2.131 20 0 BEADHM CCOC[C@H](C)Oc1ncc(Cl)cc1[O-] ZINC001227979271 975821292 /nfs/dbraw/zinc/82/12/92/975821292.db2.gz BERZXJDZXAZRMR-ZETCQYMHSA-N -1 3 231.679 2.244 20 0 BEADHM C[C@@H]1C[C@@H](Oc2ncc(Cl)cc2[O-])CCO1 ZINC001227983107 975827483 /nfs/dbraw/zinc/82/74/83/975827483.db2.gz MLNLVXBGJDZEMX-APPZFPTMSA-N -1 3 243.690 2.387 20 0 BEADHM O=c1cc(Nc2cccc(F)c2)[nH]c(=S)[n-]1 ZINC001173832997 975858655 /nfs/dbraw/zinc/85/86/55/975858655.db2.gz JIAVQNCQPDPAIW-UHFFFAOYSA-N -1 3 237.259 2.354 20 0 BEADHM O=c1[n-]cncc1Nc1cccc(F)c1 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/nfs/dbraw/zinc/03/98/31/977039831.db2.gz YNNUZGIWOZFKCL-MRVPVSSYSA-N -1 3 218.260 2.044 20 0 BEADHM COCc1ccc(Nc2cc(=O)[n-]c(C)n2)cc1 ZINC001174918351 977162881 /nfs/dbraw/zinc/16/28/81/977162881.db2.gz ZJHXAFJIGPQMBE-UHFFFAOYSA-N -1 3 245.282 2.381 20 0 BEADHM COc1cc(F)cc(Nc2cc(=O)[n-]c(C)n2)c1 ZINC001175007269 977205761 /nfs/dbraw/zinc/20/57/61/977205761.db2.gz KFFDUQQMGITKOC-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM COc1cc(F)cc(Nc2cnc(C)[n-]c2=O)c1 ZINC001175009177 977206856 /nfs/dbraw/zinc/20/68/56/977206856.db2.gz HUVPTEQSIOMVOG-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM Fc1cnccc1N=c1[n-]nc(-c2ccco2)o1 ZINC001175197038 977294046 /nfs/dbraw/zinc/29/40/46/977294046.db2.gz KBPVGXDLYFDOFV-UHFFFAOYSA-N -1 3 246.201 2.029 20 0 BEADHM [O-]c1cc(Nc2ccncc2F)c(F)cc1F ZINC001175198807 977301550 /nfs/dbraw/zinc/30/15/50/977301550.db2.gz NLEBLGFPLCFMPM-UHFFFAOYSA-N -1 3 240.184 2.370 20 0 BEADHM Cc1nonc1[N-]c1cccc2c1cnn2C ZINC001175433796 977429094 /nfs/dbraw/zinc/42/90/94/977429094.db2.gz MCPMMZOLCZRRGC-UHFFFAOYSA-N -1 3 229.243 2.008 20 0 BEADHM O=c1nc2cccc(F)c2c(OC2CC2)[n-]1 ZINC001231074774 977458986 /nfs/dbraw/zinc/45/89/86/977458986.db2.gz SOKAPYGKJLHUSU-UHFFFAOYSA-N -1 3 220.203 2.016 20 0 BEADHM CCC(CC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231072723 977465232 /nfs/dbraw/zinc/46/52/32/977465232.db2.gz GNAIMVZQEIJGII-UHFFFAOYSA-N -1 3 232.287 2.434 20 0 BEADHM CCC(CC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117352 977484874 /nfs/dbraw/zinc/48/48/74/977484874.db2.gz AAGGISPMUDRILO-UHFFFAOYSA-N -1 3 232.287 2.434 20 0 BEADHM CCC(CC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231117352 977484878 /nfs/dbraw/zinc/48/48/78/977484878.db2.gz AAGGISPMUDRILO-UHFFFAOYSA-N -1 3 232.287 2.434 20 0 BEADHM c1cc(O[C@@H]2C[C@H]3C[C@H]3C2)cc(-c2nnn[n-]2)c1 ZINC001231118771 977488324 /nfs/dbraw/zinc/48/83/24/977488324.db2.gz VLAZGSKEPQRFEC-PEGIJTEDSA-N -1 3 242.282 2.044 20 0 BEADHM c1cc(O[C@@H]2C[C@H]3C[C@H]3C2)cc(-c2nn[n-]n2)c1 ZINC001231118771 977488348 /nfs/dbraw/zinc/48/83/48/977488348.db2.gz VLAZGSKEPQRFEC-PEGIJTEDSA-N -1 3 242.282 2.044 20 0 BEADHM C[C@H]1CC[C@@H](Oc2cccc(-c3nnn[n-]3)c2)C1 ZINC001231118814 977491255 /nfs/dbraw/zinc/49/12/55/977491255.db2.gz WZDGGEFJQWEDAZ-JOYOIKCWSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H]1CC[C@@H](Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001231118814 977491262 /nfs/dbraw/zinc/49/12/62/977491262.db2.gz WZDGGEFJQWEDAZ-JOYOIKCWSA-N -1 3 244.298 2.434 20 0 BEADHM Cc1cc(Nc2cnc[n-]c2=O)cc2c[nH]nc21 ZINC001175518364 977496523 /nfs/dbraw/zinc/49/65/23/977496523.db2.gz PIJVPLJWGFRPLI-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM COc1nonc1[N-]c1cc2c[nH]nc2c(C)c1 ZINC001175517250 977496791 /nfs/dbraw/zinc/49/67/91/977496791.db2.gz UACDELAFJKMPFK-UHFFFAOYSA-N -1 3 245.242 2.007 20 0 BEADHM Cc1nnc([N-]c2cc3c[nH]nc3c(C)c2)o1 ZINC001175515835 977499629 /nfs/dbraw/zinc/49/96/29/977499629.db2.gz FGHIVBWFUPHZRB-UHFFFAOYSA-N -1 3 229.243 2.306 20 0 BEADHM COCCn1cc(-c2ccc(F)c([O-])c2)cn1 ZINC001336117809 977516801 /nfs/dbraw/zinc/51/68/01/977516801.db2.gz DCEGSYDRRFUOMA-UHFFFAOYSA-N -1 3 236.246 2.041 20 0 BEADHM CC(C)(C)O[N-]C(=O)Cc1ccc2c(c1)CCO2 ZINC001336244471 977593510 /nfs/dbraw/zinc/59/35/10/977593510.db2.gz OKYPWZXOEBGREB-UHFFFAOYSA-N -1 3 249.310 2.010 20 0 BEADHM Cc1nnc([N-]c2ccc3nn(C)cc3c2)o1 ZINC001175618429 977622312 /nfs/dbraw/zinc/62/23/12/977622312.db2.gz WMCDUAJIQUVQMM-UHFFFAOYSA-N -1 3 229.243 2.008 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2CCC(F)(F)C2)n1 ZINC001336560641 977782194 /nfs/dbraw/zinc/78/21/94/977782194.db2.gz HVIAXLVUKHMNFW-SSDOTTSWSA-N -1 3 229.230 2.090 20 0 BEADHM Cc1nc(N[C@@H](C)c2ncccc2C)cc(=O)[n-]1 ZINC001336758479 977925281 /nfs/dbraw/zinc/92/52/81/977925281.db2.gz DZBHGAIRKZIGNF-VIFPVBQESA-N -1 3 244.298 2.367 20 0 BEADHM CC[C@]1(C)CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001337074595 978153692 /nfs/dbraw/zinc/15/36/92/978153692.db2.gz WMFMJOZRKYRYJK-GFCCVEGCSA-N -1 3 221.304 2.117 20 0 BEADHM [O-]c1cc(CN2C[C@@H]3C[C@@H]3C2)cc(F)c1F ZINC001232970104 978376302 /nfs/dbraw/zinc/37/63/02/978376302.db2.gz HIZGEGPTQZZMBH-DTORHVGOSA-N -1 3 225.238 2.122 20 0 BEADHM C[C@@H]1C[C@H](F)CN1Cc1cccc([O-])c1F ZINC001233050210 978441093 /nfs/dbraw/zinc/44/10/93/978441093.db2.gz MOQXPXRJAWYMFH-SCZZXKLOSA-N -1 3 227.254 2.464 20 0 BEADHM [O-]c1cccc(CN2Cc3ccncc3C2)c1F ZINC001233053861 978447851 /nfs/dbraw/zinc/44/78/51/978447851.db2.gz UTDUDHZAHRDNTQ-UHFFFAOYSA-N -1 3 244.269 2.442 20 0 BEADHM CN(Cc1cnn(C)c1)Cc1ccc([S-])cc1 ZINC001233258466 978516968 /nfs/dbraw/zinc/51/69/68/978516968.db2.gz GDIXCZYCOAYJPH-UHFFFAOYSA-N -1 3 247.367 2.341 20 0 BEADHM COC(CN(C)Cc1ccc([S-])cc1)OC ZINC001233261851 978519474 /nfs/dbraw/zinc/51/94/74/978519474.db2.gz GXEZTDGLANYTLZ-UHFFFAOYSA-N -1 3 241.356 2.026 20 0 BEADHM [O-]c1ccc(F)c(CN2CC=CC2)c1F ZINC001233393225 978599869 /nfs/dbraw/zinc/59/98/69/978599869.db2.gz JKKHHBVVPUATRB-UHFFFAOYSA-N -1 3 211.211 2.042 20 0 BEADHM Cc1c(C(=O)[O-])cc(CN2C3CCC2CC3)n1C ZINC001599987586 978659654 /nfs/dbraw/zinc/65/96/54/978659654.db2.gz ZADKQQMQCBGZMM-UHFFFAOYSA-N -1 3 248.326 2.159 20 0 BEADHM C[C@H]1OCC[C@H]1COc1ccc2occ([O-])c2c1 ZINC001233676262 978669034 /nfs/dbraw/zinc/66/90/34/978669034.db2.gz DGOQBXLWDPPFGT-ZJUUUORDSA-N -1 3 248.278 2.066 20 0 BEADHM O=C1CCC(Oc2ccc3occ([O-])c3c2)CC1 ZINC001233677094 978670602 /nfs/dbraw/zinc/67/06/02/978670602.db2.gz FIXUDDBNPFOYPC-UHFFFAOYSA-N -1 3 246.262 2.152 20 0 BEADHM C[C@H]1C[C@@H](Oc2ccc3occ([O-])c3c2)CCO1 ZINC001233681280 978673157 /nfs/dbraw/zinc/67/31/57/978673157.db2.gz SRQIJWNEIVGDSW-ONGXEEELSA-N -1 3 248.278 2.208 20 0 BEADHM O=C1CCCC[C@H]1Oc1ccc2occ([O-])c2c1 ZINC001233681363 978673171 /nfs/dbraw/zinc/67/31/71/978673171.db2.gz VYJJWCUJUDMBPJ-CQSZACIVSA-N -1 3 246.262 2.152 20 0 BEADHM [O-]c1coc2ccc(O[C@@H]3C=CCC3)cc12 ZINC001233680561 978673427 /nfs/dbraw/zinc/67/34/27/978673427.db2.gz LGLUJVZKIZSRGK-SECBINFHSA-N -1 3 216.236 2.359 20 0 BEADHM Cc1cc(CN2CCCC[C@H]2C)[nH]c1C(=O)[O-] ZINC001600196153 978678126 /nfs/dbraw/zinc/67/81/26/978678126.db2.gz TUNZCDDLQJRSKR-SNVBAGLBSA-N -1 3 236.315 2.396 20 0 BEADHM Cc1cc(F)c(CN[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC001600226140 978680909 /nfs/dbraw/zinc/68/09/09/978680909.db2.gz IQZXDQWNFMHAFG-ZETCQYMHSA-N -1 3 245.681 2.350 20 0 BEADHM CC1=C(Oc2cc([O-])cc(F)c2)C(=O)O[C@@H]1C ZINC001233816518 978704448 /nfs/dbraw/zinc/70/44/48/978704448.db2.gz FSLSRDCTLGJCKZ-SSDOTTSWSA-N -1 3 238.214 2.129 20 0 BEADHM CC(C)OCCOc1cccc([O-])c1F ZINC001233867399 978717958 /nfs/dbraw/zinc/71/79/58/978717958.db2.gz DRIQAQBVLKSEKM-UHFFFAOYSA-N -1 3 214.236 2.335 20 0 BEADHM [O-]c1cccc(OC[C@@H]2CCCO2)c1F ZINC001233873245 978719407 /nfs/dbraw/zinc/71/94/07/978719407.db2.gz XBNVXGVDJXYQSD-QMMMGPOBSA-N -1 3 212.220 2.089 20 0 BEADHM C[C@@H]1C[C@@H](Oc2cccc([O-])c2F)CCO1 ZINC001233872576 978719570 /nfs/dbraw/zinc/71/95/70/978719570.db2.gz VUOUSMVTARNQFB-BDAKNGLRSA-N -1 3 226.247 2.478 20 0 BEADHM CC[C@@H](COC)Oc1cccc([O-])c1F ZINC001233870576 978719643 /nfs/dbraw/zinc/71/96/43/978719643.db2.gz GDBDZIBQSQNHDR-QMMMGPOBSA-N -1 3 214.236 2.335 20 0 BEADHM O=C([O-])[C@@H](CF)NCc1ccc(C2CC2)cc1 ZINC001601651788 978826598 /nfs/dbraw/zinc/82/65/98/978826598.db2.gz WEOIYNKZUIYLIH-GFCCVEGCSA-N -1 3 237.274 2.076 20 0 BEADHM CC[C@H](C)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234445801 978837706 /nfs/dbraw/zinc/83/77/06/978837706.db2.gz CEPFWVICSAQZMA-ZETCQYMHSA-N -1 3 206.245 2.446 20 0 BEADHM [O-]c1cccc2[nH]c(OC3CC=CC3)nc21 ZINC001234447199 978839945 /nfs/dbraw/zinc/83/99/45/978839945.db2.gz KTHAVPOQTCPDQO-UHFFFAOYSA-N -1 3 216.240 2.366 20 0 BEADHM Cc1cc(=O)[n-]c(NCCC2(F)CCC2)n1 ZINC001339723008 978900685 /nfs/dbraw/zinc/90/06/85/978900685.db2.gz UAGZEZOTKLRRJP-UHFFFAOYSA-N -1 3 225.267 2.185 20 0 BEADHM Cc1cc(=O)[n-]c(NCCCc2ccco2)n1 ZINC001339775207 978910387 /nfs/dbraw/zinc/91/03/87/978910387.db2.gz YDIXVQMJMDAWKR-UHFFFAOYSA-N -1 3 233.271 2.128 20 0 BEADHM O=C([O-])c1cc(CNCc2ccc(F)cc2)c[nH]1 ZINC001602260959 979101684 /nfs/dbraw/zinc/10/16/84/979101684.db2.gz FQQOJNVRRMXOPP-UHFFFAOYSA-N -1 3 248.257 2.142 20 0 BEADHM O=C([O-])c1ccc(CN2CCC3(CCC3)CC2)[nH]1 ZINC001602338205 979108742 /nfs/dbraw/zinc/10/87/42/979108742.db2.gz ILOOCOGMCPWNAZ-UHFFFAOYSA-N -1 3 248.326 2.479 20 0 BEADHM CCSCCc1ccc(-c2nnn[n-]2)cc1 ZINC001250020678 979311117 /nfs/dbraw/zinc/31/11/17/979311117.db2.gz DTHJYJFIJWLWLW-UHFFFAOYSA-N -1 3 234.328 2.162 20 0 BEADHM CCSCCc1ccc(-c2nn[n-]n2)cc1 ZINC001250020678 979311125 /nfs/dbraw/zinc/31/11/25/979311125.db2.gz DTHJYJFIJWLWLW-UHFFFAOYSA-N -1 3 234.328 2.162 20 0 BEADHM C[C@@H](NCC1(C(=O)[O-])CCC1)c1nccs1 ZINC001603246752 979412050 /nfs/dbraw/zinc/41/20/50/979412050.db2.gz BAVWFHQINXOFCH-MRVPVSSYSA-N -1 3 240.328 2.049 20 0 BEADHM C[C@@H](F)CCNc1ccc(-c2nn[n-]n2)cc1 ZINC001603598537 979488183 /nfs/dbraw/zinc/48/81/83/979488183.db2.gz IKJOEOZKAXNLGZ-MRVPVSSYSA-N -1 3 235.266 2.027 20 0 BEADHM CC[C@@H](C)Nc1cc(F)ccc1-c1nnn[n-]1 ZINC001604007578 979557351 /nfs/dbraw/zinc/55/73/51/979557351.db2.gz PIGNDAXVEOKKSA-SSDOTTSWSA-N -1 3 235.266 2.216 20 0 BEADHM CC[C@@H](C)Nc1cc(F)ccc1-c1nn[n-]n1 ZINC001604007578 979557360 /nfs/dbraw/zinc/55/73/60/979557360.db2.gz PIGNDAXVEOKKSA-SSDOTTSWSA-N -1 3 235.266 2.216 20 0 BEADHM CCCCNc1ccc(-c2nn[n-]n2)cc1C ZINC001604185565 979594633 /nfs/dbraw/zinc/59/46/33/979594633.db2.gz KKJHTAFVYNJKQJ-UHFFFAOYSA-N -1 3 231.303 2.387 20 0 BEADHM CCCCCNc1nc(-c2nnn[n-]2)ccc1C ZINC001604180661 979595688 /nfs/dbraw/zinc/59/56/88/979595688.db2.gz XOBJUHFVQBLWHI-UHFFFAOYSA-N -1 3 246.318 2.172 20 0 BEADHM CC1(C(=O)[O-])CN(C/C=C/c2cccc(F)c2)C1 ZINC001604503567 979668776 /nfs/dbraw/zinc/66/87/76/979668776.db2.gz YNFCBBXBUJWWNG-HWKANZROSA-N -1 3 249.285 2.245 20 0 BEADHM CC1(C)C[C@@H]1NCc1ccc(/C=C\C(=O)[O-])o1 ZINC001604552759 979675848 /nfs/dbraw/zinc/67/58/48/979675848.db2.gz BOKJHGISZPFNIJ-GZTOBOFZSA-N -1 3 235.283 2.266 20 0 BEADHM CC1(NCc2ccc(C(=O)[O-])cc2F)CC1 ZINC001604598534 979683846 /nfs/dbraw/zinc/68/38/46/979683846.db2.gz VOBIDELMPWUQRP-UHFFFAOYSA-N -1 3 223.247 2.166 20 0 BEADHM Cc1cc([C@@H](C)NCCC(C)(C)C(=O)[O-])no1 ZINC001605145397 979822604 /nfs/dbraw/zinc/82/26/04/979822604.db2.gz DDAIXWQWZGYAPT-SECBINFHSA-N -1 3 240.303 2.135 20 0 BEADHM O=c1[n-]c(Cl)c(CN2CCC[C@@H]3C[C@@H]32)s1 ZINC001237170694 979828206 /nfs/dbraw/zinc/82/82/06/979828206.db2.gz YRBKOFZZAGECDZ-RQJHMYQMSA-N -1 3 244.747 2.486 20 0 BEADHM CC[C@H]1CCN1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001605171139 979829534 /nfs/dbraw/zinc/82/95/34/979829534.db2.gz JPOPVRWXGHJCFC-OMMCCPJFSA-N -1 3 235.283 2.362 20 0 BEADHM O=C1CCN(Cc2occc2[S-])CC[C@@H]1F ZINC001237182082 979831799 /nfs/dbraw/zinc/83/17/99/979831799.db2.gz QLHLQSQHFLUASD-QMMMGPOBSA-N -1 3 243.303 2.071 20 0 BEADHM FCCCCNc1cccc(-c2nnn[n-]2)c1 ZINC001606302846 979991350 /nfs/dbraw/zinc/99/13/50/979991350.db2.gz MTIQLPBSOAOSGJ-UHFFFAOYSA-N -1 3 235.266 2.028 20 0 BEADHM FCCCCNc1cccc(-c2nn[n-]n2)c1 ZINC001606302846 979991356 /nfs/dbraw/zinc/99/13/56/979991356.db2.gz MTIQLPBSOAOSGJ-UHFFFAOYSA-N -1 3 235.266 2.028 20 0 BEADHM FCCCCCNc1ccc(-c2nn[n-]n2)cc1 ZINC001606302888 979992597 /nfs/dbraw/zinc/99/25/97/979992597.db2.gz OXCUQZHCMRLTEK-UHFFFAOYSA-N -1 3 249.293 2.418 20 0 BEADHM Cc1[nH]c(CN[C@@H](C)c2ccc[nH]2)cc1C(=O)[O-] ZINC001607496928 980113915 /nfs/dbraw/zinc/11/39/15/980113915.db2.gz MIDCPKHVXKHANQ-VIFPVBQESA-N -1 3 247.298 2.200 20 0 BEADHM O=C([O-])[C@@]1(F)CCN([C@H]2CCc3ccccc32)C1 ZINC001608575111 980235518 /nfs/dbraw/zinc/23/55/18/980235518.db2.gz DCHRETNFIGXTGX-GXTWGEPZSA-N -1 3 249.285 2.173 20 0 BEADHM CC[C@@H](N[C@@H](CF)c1ccc(F)cc1)C(=O)[O-] ZINC001595282095 980340957 /nfs/dbraw/zinc/34/09/57/980340957.db2.gz UXHOLHWSLQZTSZ-MNOVXSKESA-N -1 3 243.253 2.289 20 0 BEADHM [O-]c1ccccc1Sc1nccnc1F ZINC001187271524 980494284 /nfs/dbraw/zinc/49/42/84/980494284.db2.gz OEXXHDWRRHXCHT-UHFFFAOYSA-N -1 3 222.244 2.473 20 0 BEADHM CCCCCCN(C)CC(=O)[N-]OC(C)(C)C ZINC000156062645 980626432 /nfs/dbraw/zinc/62/64/32/980626432.db2.gz FURGESJLNFOTCO-UHFFFAOYSA-N -1 3 244.379 2.345 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1ccno1 ZINC001188658537 980679878 /nfs/dbraw/zinc/67/98/78/980679878.db2.gz HNAFOUWAQBLYLO-SECBINFHSA-N -1 3 246.266 2.180 20 0 BEADHM COCCCc1c(F)ccc([O-])c1F ZINC001250300931 980713288 /nfs/dbraw/zinc/71/32/88/980713288.db2.gz YOQUCMXCLUZHEW-UHFFFAOYSA-N -1 3 202.200 2.249 20 0 BEADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccncc1 ZINC001239612075 980810883 /nfs/dbraw/zinc/81/08/83/980810883.db2.gz CTOOVMGCJMIZMU-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccncc1 ZINC001239612075 980810885 /nfs/dbraw/zinc/81/08/85/980810885.db2.gz CTOOVMGCJMIZMU-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM COC(=O)c1cccc(-c2ccc(=S)[n-]n2)c1 ZINC001239731007 980881846 /nfs/dbraw/zinc/88/18/46/980881846.db2.gz PWUVNRJPOJKMAH-UHFFFAOYSA-N -1 3 246.291 2.219 20 0 BEADHM CC(=O)Nc1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC001239755141 980899453 /nfs/dbraw/zinc/89/94/53/980899453.db2.gz RSPCZSBICXTZAC-UHFFFAOYSA-N -1 3 245.307 2.391 20 0 BEADHM O=C(Nc1cc([O-])cc(Cl)c1)NC1CC1 ZINC001191482447 981042754 /nfs/dbraw/zinc/04/27/54/981042754.db2.gz 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221.260 2.154 20 0 BEADHM COC(=O)Nc1c([O-])cccc1Br ZINC001193903201 981506741 /nfs/dbraw/zinc/50/67/41/981506741.db2.gz LVEJZMZAMCSOEG-UHFFFAOYSA-N -1 3 246.060 2.333 20 0 BEADHM COc1ccc(-c2nnn[n-]2)cc1C=C(C)C ZINC001240635655 981529712 /nfs/dbraw/zinc/52/97/12/981529712.db2.gz BRYSQIULFJOVCO-UHFFFAOYSA-N -1 3 230.271 2.299 20 0 BEADHM COc1ccc(-c2nn[n-]n2)cc1C=C(C)C ZINC001240635655 981529721 /nfs/dbraw/zinc/52/97/21/981529721.db2.gz BRYSQIULFJOVCO-UHFFFAOYSA-N -1 3 230.271 2.299 20 0 BEADHM [O-]c1ccc(F)cc1-c1cc2nc[nH]c2cn1 ZINC001240693703 981600371 /nfs/dbraw/zinc/60/03/71/981600371.db2.gz VVYKTYOCGIZKHJ-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM Cn1cnc2ccc(-c3ccc([O-])c(F)c3)nc21 ZINC001240782120 981820208 /nfs/dbraw/zinc/82/02/08/981820208.db2.gz QCTVCYAUSKOMHL-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM [O-]c1ccc(-c2cnc3[nH]ccc3n2)cc1F ZINC001240783881 981823311 /nfs/dbraw/zinc/82/33/11/981823311.db2.gz ZHUOCWRMWOOPOY-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM O=C([N-]c1ccnc(Cl)c1F)c1cocn1 ZINC001583592759 981824385 /nfs/dbraw/zinc/82/43/85/981824385.db2.gz YTFNIYVFDCKVMX-UHFFFAOYSA-N -1 3 241.609 2.114 20 0 BEADHM [O-]c1ccc(-c2cnc3c(c2)OCCO3)cc1F ZINC001240785896 981827978 /nfs/dbraw/zinc/82/79/78/981827978.db2.gz SEPVGKYTYHAUPK-UHFFFAOYSA-N -1 3 247.225 2.365 20 0 BEADHM NC(=O)c1cccc(-c2ccc([O-])c(F)c2)c1F ZINC001240787059 981831662 /nfs/dbraw/zinc/83/16/62/981831662.db2.gz JKBQUSIQBZRAMZ-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM [O-]c1ccc(-c2c[nH]cc3ncnc2-3)cc1F ZINC001240787036 981833378 /nfs/dbraw/zinc/83/33/78/981833378.db2.gz ICBHMQKKPXEIAJ-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM [O-]c1ccc(-c2cn3ncnc3cc2F)cc1F ZINC001240788172 981836074 /nfs/dbraw/zinc/83/60/74/981836074.db2.gz CUUNBYIZWXMZIK-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM Cc1cc(O)ccc1C(=O)Nc1ncccc1[O-] ZINC000159157955 981839625 /nfs/dbraw/zinc/83/96/25/981839625.db2.gz CJGZKVUYWULTAN-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM CC(C)CCOC(=O)Nc1cncc([O-])c1 ZINC001194845704 981960801 /nfs/dbraw/zinc/96/08/01/981960801.db2.gz WTPRBWPIBOWEKH-UHFFFAOYSA-N -1 3 224.260 2.382 20 0 BEADHM [O-]c1ccccc1-c1ncnc2cccnc21 ZINC001241002010 982085319 /nfs/dbraw/zinc/08/53/19/982085319.db2.gz PKLZFRFIFMMKNH-UHFFFAOYSA-N -1 3 223.235 2.397 20 0 BEADHM Cc1ccc(C(=O)[O-])cc1-c1ccnc(CN)c1 ZINC001241002764 982087970 /nfs/dbraw/zinc/08/79/70/982087970.db2.gz NMVKAYCKCUKLTF-UHFFFAOYSA-N -1 3 242.278 2.214 20 0 BEADHM [O-]c1ccccc1-c1cc2nccnc2cn1 ZINC001241003469 982089904 /nfs/dbraw/zinc/08/99/04/982089904.db2.gz OTIFKAPPCKGEMF-UHFFFAOYSA-N -1 3 223.235 2.397 20 0 BEADHM COC(=O)c1ccc(-c2ccccc2[O-])nc1F ZINC001241003169 982093668 /nfs/dbraw/zinc/09/36/68/982093668.db2.gz JIDUNTYOAQJMJL-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM COc1c(C)ncnc1-c1ccccc1[O-] ZINC001241008661 982099657 /nfs/dbraw/zinc/09/96/57/982099657.db2.gz MVUZNPHSHAXVBL-UHFFFAOYSA-N -1 3 216.240 2.166 20 0 BEADHM [O-]c1ccccc1-c1cnc(N2CCCC2)cn1 ZINC001241014916 982108605 /nfs/dbraw/zinc/10/86/05/982108605.db2.gz RTQBSGDYNJGPDX-UHFFFAOYSA-N -1 3 241.294 2.449 20 0 BEADHM CCOc1cnc(-c2ccccc2[O-])cn1 ZINC001241020057 982113741 /nfs/dbraw/zinc/11/37/41/982113741.db2.gz PZPRTGZONJOEQZ-UHFFFAOYSA-N -1 3 216.240 2.248 20 0 BEADHM COc1cncc(-c2ccc(C)cc2[O-])n1 ZINC001241028228 982123744 /nfs/dbraw/zinc/12/37/44/982123744.db2.gz KDLOLBVXEADELN-UHFFFAOYSA-N -1 3 216.240 2.166 20 0 BEADHM COc1c(C)ncnc1-c1ccc(C)cc1[O-] ZINC001241036534 982138067 /nfs/dbraw/zinc/13/80/67/982138067.db2.gz ZGNYWWFRUWWMMA-UHFFFAOYSA-N -1 3 230.267 2.475 20 0 BEADHM C1=C(CNc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001588384309 982152874 /nfs/dbraw/zinc/15/28/74/982152874.db2.gz FATYGHCZQWRZHJ-UHFFFAOYSA-N -1 3 241.298 2.389 20 0 BEADHM C1=C(CNc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001588384309 982152875 /nfs/dbraw/zinc/15/28/75/982152875.db2.gz FATYGHCZQWRZHJ-UHFFFAOYSA-N -1 3 241.298 2.389 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC2(CC3CC3)CC2)n1 ZINC001195335443 982239661 /nfs/dbraw/zinc/23/96/61/982239661.db2.gz KIIJMJWAZVHKRD-UHFFFAOYSA-N -1 3 246.310 2.158 20 0 BEADHM COc1ncc(F)c(-c2cc([O-])cc(F)c2)n1 ZINC001241255943 982392785 /nfs/dbraw/zinc/39/27/85/982392785.db2.gz HVQSNWKBWKDSOK-UHFFFAOYSA-N -1 3 238.193 2.136 20 0 BEADHM [O-]c1cc(F)cc(-c2ncnc3c2CCC3)c1 ZINC001241256754 982393980 /nfs/dbraw/zinc/39/39/80/982393980.db2.gz ABLJEWSXUIJMKA-UHFFFAOYSA-N -1 3 230.242 2.477 20 0 BEADHM CN(C)c1cc(-c2cc([O-])cc(F)c2)ncn1 ZINC001241256987 982394392 /nfs/dbraw/zinc/39/43/92/982394392.db2.gz DJTRMUCBHTZBSI-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM CN(C)c1cncc(-c2cc([O-])cc(F)c2)n1 ZINC001241256904 982394725 /nfs/dbraw/zinc/39/47/25/982394725.db2.gz CICHKYVWZZIWNX-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM [O-]c1cc(F)cc(-c2ccc(F)nn2)c1 ZINC001241256149 982396342 /nfs/dbraw/zinc/39/63/42/982396342.db2.gz ORKZGHWAPNPUPO-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM Cc1ncc(-c2cc([O-])cc(F)c2)cn1 ZINC001241267385 982403484 /nfs/dbraw/zinc/40/34/84/982403484.db2.gz UOHHSCXIIQPZEA-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Nc1cncc(F)c1-c1cc([O-])cc(F)c1 ZINC001241266609 982404047 /nfs/dbraw/zinc/40/40/47/982404047.db2.gz NENKUHQOQWJOHP-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM NC(=O)c1ccc(-c2cc([O-])cc(F)c2)cc1F ZINC001241272176 982405167 /nfs/dbraw/zinc/40/51/67/982405167.db2.gz ZQXFORMDZGQNMC-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM NC(=O)c1ccc(F)c(-c2cc([O-])cc(F)c2)c1 ZINC001241276703 982407808 /nfs/dbraw/zinc/40/78/08/982407808.db2.gz BWJKOAGOUJDGDY-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM COC(=O)c1cnccc1-c1cc([O-])cc(F)c1 ZINC001241277715 982409035 /nfs/dbraw/zinc/40/90/35/982409035.db2.gz PUQZZSLRQIQZES-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM [O-]c1cc(F)cc(-c2cn3ncnc3cc2F)c1 ZINC001241282958 982429706 /nfs/dbraw/zinc/42/97/06/982429706.db2.gz PXAKQYZFMJVPMY-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM CC[C@H](C)[C@@H](N[C@H](C)c1cscn1)C(=O)[O-] ZINC001594918335 982451163 /nfs/dbraw/zinc/45/11/63/982451163.db2.gz VQUVTHXGHRFNCN-QXFUBDJGSA-N -1 3 242.344 2.293 20 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C[C@H]1C[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1F ZINC001590219357 982912584 /nfs/dbraw/zinc/91/25/84/982912584.db2.gz JBFRCINFCZVOBH-IONNQARKSA-N -1 3 247.277 2.074 20 0 BEADHM CC/C=C/CCn1cc(C)c(-c2nnn[n-]2)c1 ZINC001590534554 982949970 /nfs/dbraw/zinc/94/99/70/982949970.db2.gz SDYYHTJZUKBLGP-SNAWJCMRSA-N -1 3 231.303 2.333 20 0 BEADHM CC/C=C/CCn1cc(C)c(-c2nn[n-]n2)c1 ZINC001590534554 982949987 /nfs/dbraw/zinc/94/99/87/982949987.db2.gz SDYYHTJZUKBLGP-SNAWJCMRSA-N -1 3 231.303 2.333 20 0 BEADHM CC/C=C\CNc1ccc(F)cc1-c1nnn[n-]1 ZINC001590532441 982956957 /nfs/dbraw/zinc/95/69/57/982956957.db2.gz VILCFLFWALPKOT-ARJAWSKDSA-N -1 3 247.277 2.384 20 0 BEADHM CC/C=C\CNc1ccc(F)cc1-c1nn[n-]n1 ZINC001590532441 982956969 /nfs/dbraw/zinc/95/69/69/982956969.db2.gz VILCFLFWALPKOT-ARJAWSKDSA-N -1 3 247.277 2.384 20 0 BEADHM CC/C=C\CNc1ccc(-c2nn[n-]n2)cc1 ZINC001590531888 982958500 /nfs/dbraw/zinc/95/85/00/982958500.db2.gz PWKJPAZQWYKEPM-ARJAWSKDSA-N -1 3 229.287 2.245 20 0 BEADHM CCCCCOc1ccccc1-c1nnn[n-]1 ZINC001590597170 982965487 /nfs/dbraw/zinc/96/54/87/982965487.db2.gz KWOUFSOTLWYBIB-UHFFFAOYSA-N -1 3 232.287 2.436 20 0 BEADHM CCCCCOc1ccccc1-c1nn[n-]n1 ZINC001590597170 982965493 /nfs/dbraw/zinc/96/54/93/982965493.db2.gz KWOUFSOTLWYBIB-UHFFFAOYSA-N -1 3 232.287 2.436 20 0 BEADHM Cc1cscc1-c1cncc(-c2nnn[n-]2)c1 ZINC001241730455 983019693 /nfs/dbraw/zinc/01/96/93/983019693.db2.gz JUZUQQCAUQAGTD-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM Cc1cscc1-c1cncc(-c2nn[n-]n2)c1 ZINC001241730455 983019701 /nfs/dbraw/zinc/01/97/01/983019701.db2.gz JUZUQQCAUQAGTD-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM CCCn1nc(C)cc1-c1ccc(=S)[n-]n1 ZINC001241762605 983033845 /nfs/dbraw/zinc/03/38/45/983033845.db2.gz UWSDQVIETQAXFU-UHFFFAOYSA-N -1 3 234.328 2.347 20 0 BEADHM NCc1ccc(-c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC001241828911 983079831 /nfs/dbraw/zinc/07/98/31/983079831.db2.gz MROHUJZIDCAAJS-UHFFFAOYSA-N -1 3 246.241 2.045 20 0 BEADHM Cc1cc(OCC2CCC2)ccc1-c1nn[n-]n1 ZINC001592058738 983111362 /nfs/dbraw/zinc/11/13/62/983111362.db2.gz FGTFFVVXBSFLRO-UHFFFAOYSA-N -1 3 244.298 2.354 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)cc1NC[C@H]1C[C@@H]1C ZINC001592108392 983114923 /nfs/dbraw/zinc/11/49/23/983114923.db2.gz YGEWKQCHSCASSY-GXSJLCMTSA-N -1 3 243.314 2.243 20 0 BEADHM Cc1ccc(-c2nn[n-]n2)cc1NC[C@H]1C[C@@H]1C ZINC001592108392 983114929 /nfs/dbraw/zinc/11/49/29/983114929.db2.gz YGEWKQCHSCASSY-GXSJLCMTSA-N -1 3 243.314 2.243 20 0 BEADHM CC(=O)c1ccc(Nc2cncc([O-])c2)cc1O ZINC001201641489 983395873 /nfs/dbraw/zinc/39/58/73/983395873.db2.gz OXTXGBLCTVTLFA-UHFFFAOYSA-N -1 3 244.250 2.439 20 0 BEADHM [O-]c1cc(F)ccc1-c1ccc2ncnn2c1 ZINC001242217502 983415958 /nfs/dbraw/zinc/41/59/58/983415958.db2.gz PYFXLSXKGWPWGK-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM CCc1nnc([N-]c2cnn(C(F)F)c2)s1 ZINC001201723207 983426966 /nfs/dbraw/zinc/42/69/66/983426966.db2.gz OFZZLOIVSCHCMJ-UHFFFAOYSA-N -1 3 245.258 2.436 20 0 BEADHM Cn1ccc(-c2ccc3c(c2)[N-]C(=S)C3)n1 ZINC001242461194 983784279 /nfs/dbraw/zinc/78/42/79/983784279.db2.gz WUXSPWITLORZHG-UHFFFAOYSA-N -1 3 229.308 2.383 20 0 BEADHM Cc1ccc(C(=O)N[C@H]2C[C@H]2C2CC2)c([O-])c1 ZINC000717106783 983812675 /nfs/dbraw/zinc/81/26/75/983812675.db2.gz GDOTYUJZELABTN-RYUDHWBXSA-N -1 3 231.295 2.229 20 0 BEADHM S=c1ccc(-c2cccc3c2OCO3)n[n-]1 ZINC001242586493 983902557 /nfs/dbraw/zinc/90/25/57/983902557.db2.gz SWBUCKHYHJOGAZ-UHFFFAOYSA-N -1 3 232.264 2.161 20 0 BEADHM CCNC(=O)Nc1cc([O-])cc(Cl)c1 ZINC001202549032 984010020 /nfs/dbraw/zinc/01/00/20/984010020.db2.gz JYJQTNYSEYHHJO-UHFFFAOYSA-N -1 3 214.652 2.187 20 0 BEADHM CCCNC(=O)Nc1cc(F)ccc1[O-] ZINC001202591981 984100753 /nfs/dbraw/zinc/10/07/53/984100753.db2.gz JTNVXTYKXJMYRJ-UHFFFAOYSA-N -1 3 212.224 2.063 20 0 BEADHM Oc1ccc(F)c(-c2ccc(=S)[n-]n2)c1 ZINC001242762122 984130463 /nfs/dbraw/zinc/13/04/63/984130463.db2.gz PLZZEOWZQHLVFJ-UHFFFAOYSA-N -1 3 222.244 2.277 20 0 BEADHM Clc1cccc(-c2noc(-c3cnn[n-]3)n2)c1 ZINC001212798981 984162182 /nfs/dbraw/zinc/16/21/82/984162182.db2.gz CNSBHKGXYFGNEY-UHFFFAOYSA-N -1 3 247.645 2.175 20 0 BEADHM Clc1cccc(-c2noc(-c3c[n-]nn3)n2)c1 ZINC001212798981 984162190 /nfs/dbraw/zinc/16/21/90/984162190.db2.gz CNSBHKGXYFGNEY-UHFFFAOYSA-N -1 3 247.645 2.175 20 0 BEADHM Cc1sccc1-c1cncc(-c2nnn[n-]2)c1 ZINC001240501372 984307623 /nfs/dbraw/zinc/30/76/23/984307623.db2.gz FTIHRZAWCJEALQ-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM Cc1sccc1-c1cncc(-c2nn[n-]n2)c1 ZINC001240501372 984307633 /nfs/dbraw/zinc/30/76/33/984307633.db2.gz FTIHRZAWCJEALQ-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM Nc1ccc(-c2ccc(F)c([O-])c2)nc1 ZINC001243048793 984395173 /nfs/dbraw/zinc/39/51/73/984395173.db2.gz OKRSPVBAAJXSQS-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM [O-]c1cc(-c2nccc3nc[nH]c32)ccc1F ZINC001243048471 984396586 /nfs/dbraw/zinc/39/65/86/984396586.db2.gz LJAJZNRKFBSWDA-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM [O-]c1cc(-c2cnc(F)cn2)ccc1F ZINC001243051051 984398738 /nfs/dbraw/zinc/39/87/38/984398738.db2.gz KTORIBBNNSVWHX-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM [O-]c1cc(-c2cccn3cnnc23)ccc1F ZINC001243049734 984402571 /nfs/dbraw/zinc/40/25/71/984402571.db2.gz TXWXCEGFRYGIFX-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Nc1ncccc1-c1ccc(F)c([O-])c1 ZINC001243050211 984403067 /nfs/dbraw/zinc/40/30/67/984403067.db2.gz SPLPWGQYBGNZND-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM [O-]c1cc(-c2cnc(F)nc2F)ccc1F ZINC001243052056 984410667 /nfs/dbraw/zinc/41/06/67/984410667.db2.gz UNUBDQFQUIQRTF-UHFFFAOYSA-N -1 3 226.157 2.267 20 0 BEADHM Cc1ccnc(-c2ccc(F)c([O-])c2)c1C(N)=O ZINC001243054774 984416612 /nfs/dbraw/zinc/41/66/12/984416612.db2.gz SBKIASVCBOAMDS-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM Cn1cnc2cnc(-c3ccc(F)c([O-])c3)cc21 ZINC001243054984 984423179 /nfs/dbraw/zinc/42/31/79/984423179.db2.gz WYJKLHJPQPWBNB-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM Cc1nc(C(N)=O)ccc1-c1ccc(F)c([O-])c1 ZINC001243061548 984438923 /nfs/dbraw/zinc/43/89/23/984438923.db2.gz HSXCKOHLWZEYCK-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM C/C(=C\C(=O)[O-])CN1CCCc2occc2C1 ZINC001588949105 984671675 /nfs/dbraw/zinc/67/16/75/984671675.db2.gz OUNMUVJVLBLEHD-JXMROGBWSA-N -1 3 235.283 2.059 20 0 BEADHM Cc1cc(-c2cccc(CN)n2)ccc1C(=O)[O-] ZINC001243212047 984711654 /nfs/dbraw/zinc/71/16/54/984711654.db2.gz YBZYQBTVADHHMF-UHFFFAOYSA-N -1 3 242.278 2.214 20 0 BEADHM NC(=S)c1cccnc1-c1cccc([O-])c1F ZINC001243541056 985070784 /nfs/dbraw/zinc/07/07/84/985070784.db2.gz CSBCMZPGNXHIIR-UHFFFAOYSA-N -1 3 248.282 2.228 20 0 BEADHM Cc1nccc(-c2cccc([O-])c2F)n1 ZINC001243541488 985070824 /nfs/dbraw/zinc/07/08/24/985070824.db2.gz CAZWGEDCAVZIEV-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM [O-]c1cccc(-c2ncnc3[nH]ccc32)c1F ZINC001243542899 985078668 /nfs/dbraw/zinc/07/86/68/985078668.db2.gz PGLKDPGZAKPBDZ-UHFFFAOYSA-N -1 3 229.214 2.421 20 0 BEADHM O=C1Cc2cc(-c3cccc([O-])c3F)cnc2N1 ZINC001243544205 985081510 /nfs/dbraw/zinc/08/15/10/985081510.db2.gz DIHKHCMQUHRTNR-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM [O-]c1cccc(-c2ccnc(F)n2)c1F ZINC001243544301 985083144 /nfs/dbraw/zinc/08/31/44/985083144.db2.gz PMPWBBWBFPDODX-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM Nc1cn2ccc(-c3cccc([O-])c3F)cc2n1 ZINC001243545116 985083337 /nfs/dbraw/zinc/08/33/37/985083337.db2.gz SCRUDECUPMSGQO-UHFFFAOYSA-N -1 3 243.241 2.428 20 0 BEADHM [O-]c1cccc(-c2ncnc3c2COC3)c1F ZINC001243546497 985090427 /nfs/dbraw/zinc/09/04/27/985090427.db2.gz OEWPEVCOISPCHD-UHFFFAOYSA-N -1 3 232.214 2.019 20 0 BEADHM Cc1nc(C(N)=O)ccc1-c1cccc([O-])c1F ZINC001243547579 985098457 /nfs/dbraw/zinc/09/84/57/985098457.db2.gz SGIWPOGCMVFLNL-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM Cc1cc(-c2cccc([O-])c2F)cnc1N ZINC001243547206 985100260 /nfs/dbraw/zinc/10/02/60/985100260.db2.gz MYLXLEXUGNHTRB-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM [O-]c1cccc(-c2cnc(F)nc2)c1F ZINC001243547622 985100719 /nfs/dbraw/zinc/10/07/19/985100719.db2.gz YVZFDXPJFRIMIR-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM O=c1occ2[nH]cc(-c3cccc([O-])c3F)cc1-2 ZINC001243548952 985102797 /nfs/dbraw/zinc/10/27/97/985102797.db2.gz LYFQHBCQKRYLFU-UHFFFAOYSA-N -1 3 245.209 2.264 20 0 BEADHM Cc1nocc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001243676921 985180214 /nfs/dbraw/zinc/18/02/14/985180214.db2.gz OSANDODHRWRYAL-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM Cc1nocc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001243676921 985180227 /nfs/dbraw/zinc/18/02/27/985180227.db2.gz OSANDODHRWRYAL-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM c1[n-][nH]c2ncnc(=NCC3CCCCCC3)c1-2 ZINC001458384809 985304941 /nfs/dbraw/zinc/30/49/41/985304941.db2.gz RCQPENSWDHIYAR-UHFFFAOYSA-N -1 3 245.330 2.109 20 0 BEADHM CO[C@H]1CC=C(c2ccc(=S)[n-]n2)CC1 ZINC001243804706 985382671 /nfs/dbraw/zinc/38/26/71/985382671.db2.gz KFALQOUGWYQDQH-VIFPVBQESA-N -1 3 222.313 2.348 20 0 BEADHM [O-]c1cccc(Cl)c1-c1ncnc2c1CNC2 ZINC001244031571 985759456 /nfs/dbraw/zinc/75/94/56/985759456.db2.gz WMOWYIWOKSYDSE-UHFFFAOYSA-N -1 3 247.685 2.106 20 0 BEADHM [O-]c1cccc(Cl)c1-c1cnc2ncnn2c1 ZINC001244050019 985782654 /nfs/dbraw/zinc/78/26/54/985782654.db2.gz IATKRQBIOBAZIT-UHFFFAOYSA-N -1 3 246.657 2.150 20 0 BEADHM CCCCC[C@@H](CC)Nc1cnc(C)[n-]c1=O ZINC001258433599 985875037 /nfs/dbraw/zinc/87/50/37/985875037.db2.gz HBDPRYAVOMTMQK-NEPJUHHUSA-N -1 3 237.347 2.333 20 0 BEADHM NC(=O)c1ccncc1-c1ccc(Cl)cc1[O-] ZINC001244469455 986137816 /nfs/dbraw/zinc/13/78/16/986137816.db2.gz JDGAXQZOTJJCRS-UHFFFAOYSA-N -1 3 248.669 2.207 20 0 BEADHM NC(=O)c1ccc(-c2ccc(Cl)cc2[O-])cn1 ZINC001244470300 986141855 /nfs/dbraw/zinc/14/18/55/986141855.db2.gz YOMWKTBNNDUWML-UHFFFAOYSA-N -1 3 248.669 2.207 20 0 BEADHM COc1ccc(-c2cc(C)c(F)c([O-])c2)nn1 ZINC001244496555 986209519 /nfs/dbraw/zinc/20/95/19/986209519.db2.gz SOLNADJMXLNDDD-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM COCc1ccc(-c2cc(C)c(F)c([O-])c2)nn1 ZINC001244505824 986211434 /nfs/dbraw/zinc/21/14/34/986211434.db2.gz CEVRRLYAIKUWHY-UHFFFAOYSA-N -1 3 248.257 2.443 20 0 BEADHM COc1ncc(-c2cc(C)c(F)c([O-])c2)cn1 ZINC001244517185 986219864 /nfs/dbraw/zinc/21/98/64/986219864.db2.gz LBNJPRVYYSFRKT-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM Cc1cc(-c2ccncc2N)cc([O-])c1F ZINC001244516731 986220077 /nfs/dbraw/zinc/22/00/77/986220077.db2.gz CUFHRJDBOKVOPN-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM CC(C)(C)[C@H](O)CNc1cc([O-])c(F)cc1F ZINC001253733896 986349096 /nfs/dbraw/zinc/34/90/96/986349096.db2.gz SBAONCRIVRHTQJ-LLVKDONJSA-N -1 3 245.269 2.489 20 0 BEADHM Cc1c(F)cncc1-c1ccc(=S)[n-]n1 ZINC001244832795 986374871 /nfs/dbraw/zinc/37/48/71/986374871.db2.gz OONOMCNODOAVSU-UHFFFAOYSA-N -1 3 221.260 2.275 20 0 BEADHM C[C@]1(CNCc2cc(C(=O)[O-])co2)CC1(F)F ZINC000689362248 986534892 /nfs/dbraw/zinc/53/48/92/986534892.db2.gz YYKAVWLZSHFCLV-SNVBAGLBSA-N -1 3 245.225 2.113 20 0 BEADHM COc1c(O)cccc1-c1ccc(=S)[n-]n1 ZINC001244990479 986588018 /nfs/dbraw/zinc/58/80/18/986588018.db2.gz TZSOVQKQLMQBNJ-UHFFFAOYSA-N -1 3 234.280 2.147 20 0 BEADHM Cc1c(C(=O)[O-])cccc1-c1ccnc(CN)c1 ZINC001245299273 986787326 /nfs/dbraw/zinc/78/73/26/986787326.db2.gz GLZKQZZMRKKXBL-UHFFFAOYSA-N -1 3 242.278 2.214 20 0 BEADHM CC=C(C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001468311126 986904888 /nfs/dbraw/zinc/90/48/88/986904888.db2.gz OVTYAXXCXGOVQZ-CLTKARDFSA-N -1 3 231.255 2.173 20 0 BEADHM Cc1cc(-c2c([O-])cccc2F)cnc1C(N)=O ZINC001245656038 987038250 /nfs/dbraw/zinc/03/82/50/987038250.db2.gz UNHICDPSRMGAJS-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM O=C1Cc2c(cncc2-c2c([O-])cccc2F)N1 ZINC001245656790 987040022 /nfs/dbraw/zinc/04/00/22/987040022.db2.gz NXVHCSOFZNPSJI-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM Cc1ccccc1-c1cc(=O)n(CCN(C)C)[n-]1 ZINC001245935605 987200256 /nfs/dbraw/zinc/20/02/56/987200256.db2.gz HLVZUXLXGKJETC-UHFFFAOYSA-N -1 3 245.326 2.126 20 0 BEADHM Cc1nc(NC[C@@H](C)c2ccccn2)cc(=O)[n-]1 ZINC000692665653 987293643 /nfs/dbraw/zinc/29/36/43/987293643.db2.gz VYWCFPNUQVJYTE-SECBINFHSA-N -1 3 244.298 2.101 20 0 BEADHM C/C(=C/CN1CCC(F)(F)C[C@H]1C)C(=O)[O-] ZINC000696414781 987344902 /nfs/dbraw/zinc/34/49/02/987344902.db2.gz GCSCTLSNQWDEMC-PTDYZRSTSA-N -1 3 233.258 2.137 20 0 BEADHM O=C([N-][C@@H]1C=CCCC1)C(F)(F)C(F)F ZINC001116256592 987497532 /nfs/dbraw/zinc/49/75/32/987497532.db2.gz LVXATXLDIMYNCJ-ZCFIWIBFSA-N -1 3 225.185 2.112 20 0 BEADHM CC(C)O[N-]C(=O)CCc1ccccc1F ZINC001117770235 987901050 /nfs/dbraw/zinc/90/10/50/987901050.db2.gz PGWBKSQZFJCZCD-UHFFFAOYSA-N -1 3 225.263 2.215 20 0 BEADHM O=C([O-])CNCc1ccc(Oc2ccccc2)o1 ZINC001321639256 987956656 /nfs/dbraw/zinc/95/66/56/987956656.db2.gz XJVNSHCWQMBIJE-UHFFFAOYSA-N -1 3 247.250 2.246 20 0 BEADHM C[C@@H](C(=O)[O-])C1(NCc2ccc(Cl)o2)CC1 ZINC001118224544 988130726 /nfs/dbraw/zinc/13/07/26/988130726.db2.gz JGYJFINLGAWOCC-ZETCQYMHSA-N -1 3 243.690 2.276 20 0 BEADHM CC(=O)c1ccc(CN(C)C[C@H](C)C(=O)[O-])cc1 ZINC001118251767 988157816 /nfs/dbraw/zinc/15/78/16/988157816.db2.gz UTAJCEQERQTMAT-JTQLQIEISA-N -1 3 249.310 2.042 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccccc1 ZINC001324348225 988808609 /nfs/dbraw/zinc/80/86/09/988808609.db2.gz IXCHTXXPPUHAMB-LLVKDONJSA-N -1 3 221.300 2.323 20 0 BEADHM CCC[C@@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC001514749846 988932635 /nfs/dbraw/zinc/93/26/35/988932635.db2.gz YTYILQLKJASJBX-LLVKDONJSA-N -1 3 248.326 2.379 20 0 BEADHM CC[C@H](CSC)N(C)c1nc(C)cc(=O)[n-]1 ZINC001515607906 989074323 /nfs/dbraw/zinc/07/43/23/989074323.db2.gz XDRHUMRMSXHLDG-SECBINFHSA-N -1 3 241.360 2.068 20 0 BEADHM Cc1nc(Nc2cc3cccnc3[nH]2)cc(=O)[n-]1 ZINC001248699674 989129767 /nfs/dbraw/zinc/12/97/67/989129767.db2.gz ZWXQIHXDBGRFGO-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM CCCC(O)(CCC)CC(=O)[N-]OC(C)C ZINC001325260802 989134026 /nfs/dbraw/zinc/13/40/26/989134026.db2.gz FSEQGUPCQCRHFT-UHFFFAOYSA-N -1 3 231.336 2.164 20 0 BEADHM Cc1ncc(Nc2cc3cccnc3[nH]2)c(=O)[n-]1 ZINC001248707480 989134271 /nfs/dbraw/zinc/13/42/71/989134271.db2.gz ZYPHGGQMNMSULQ-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM CCC(C)=CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001518424441 989304452 /nfs/dbraw/zinc/30/44/52/989304452.db2.gz FKOGBWWOHRUMPN-BQYQJAHWSA-N -1 3 246.270 2.360 20 0 BEADHM Cc1nc(Nc2ccc(F)c(N)c2C)cc(=O)[n-]1 ZINC001249632302 989330210 /nfs/dbraw/zinc/33/02/10/989330210.db2.gz PCNUXXLVZPUKKQ-UHFFFAOYSA-N -1 3 248.261 2.264 20 0 BEADHM CCc1oc(CNC2(C)CC2)cc1C(=O)[O-] ZINC001597798760 989372876 /nfs/dbraw/zinc/37/28/76/989372876.db2.gz JLULUNGGYCAVHT-UHFFFAOYSA-N -1 3 223.272 2.182 20 0 BEADHM O=c1cc(N[C@H]2CCOC3(CCCC3)C2)nc[n-]1 ZINC001119947815 989498364 /nfs/dbraw/zinc/49/83/64/989498364.db2.gz XSQGOQJSYMPXOH-JTQLQIEISA-N -1 3 249.314 2.086 20 0 BEADHM CC(C)CCn1[n-]cc2c(=O)cccc-2c1=O ZINC001120079600 989593979 /nfs/dbraw/zinc/59/39/79/989593979.db2.gz QSNJDHSLKGFWOA-UHFFFAOYSA-N -1 3 232.283 2.148 20 0 BEADHM CC(C)CCn1ncc2c([O-])cccc2c1=O ZINC001120079600 989593985 /nfs/dbraw/zinc/59/39/85/989593985.db2.gz QSNJDHSLKGFWOA-UHFFFAOYSA-N -1 3 232.283 2.148 20 0 BEADHM CO[C@H]1CCC[C@H](CC(=O)[N-]OC(C)(C)C)C1 ZINC001326884796 989755599 /nfs/dbraw/zinc/75/55/99/989755599.db2.gz GTMRZQSVNYZSDI-QWRGUYRKSA-N -1 3 243.347 2.428 20 0 BEADHM CCCO[N-]C(=O)C12CCC(CC1)CC2 ZINC001120664573 989820651 /nfs/dbraw/zinc/82/06/51/989820651.db2.gz UMICYZVIIREMOW-UHFFFAOYSA-N -1 3 211.305 2.415 20 0 BEADHM CC(C)(/C=C\Cl)NCc1ccc(C(=O)[O-])[nH]1 ZINC001590615538 990290834 /nfs/dbraw/zinc/29/08/34/990290834.db2.gz WUNHSGUMOIDXDV-WAYWQWQTSA-N -1 3 242.706 2.334 20 0 BEADHM O=C([N-]c1cnoc1)c1nccc2occc21 ZINC001536805267 990491838 /nfs/dbraw/zinc/49/18/38/990491838.db2.gz WWEVEFBVSMNWRI-UHFFFAOYSA-N -1 3 229.195 2.068 20 0 BEADHM Cc1nc(C(=O)[N-]c2cc(C(C)C)on2)co1 ZINC001540231005 990595273 /nfs/dbraw/zinc/59/52/73/990595273.db2.gz LWVZCXDHDNNDRV-UHFFFAOYSA-N -1 3 235.243 2.347 20 0 BEADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@@H]1F ZINC001123677960 990646740 /nfs/dbraw/zinc/64/67/40/990646740.db2.gz OSUDPGVBWVZGID-RQJHMYQMSA-N -1 3 229.638 2.342 20 0 BEADHM O=C(CCc1cccc(O)c1)[N-]OC1CCCC1 ZINC001123783947 990668026 /nfs/dbraw/zinc/66/80/26/990668026.db2.gz YVSQXGAAOHRBQH-UHFFFAOYSA-N -1 3 249.310 2.315 20 0 BEADHM CN(Cc1cccs1)Cc1ccncc1[O-] ZINC001140278320 991597095 /nfs/dbraw/zinc/59/70/95/991597095.db2.gz PRSSJCGYPKYJKU-UHFFFAOYSA-N -1 3 234.324 2.481 20 0 BEADHM Cc1ncc(NC2CCC(C(C)C)CC2)c(=O)[n-]1 ZINC001258802066 991800138 /nfs/dbraw/zinc/80/01/38/991800138.db2.gz SFLUIKWHUYBTFC-WXRRBKDZSA-N -1 3 249.358 2.189 20 0 BEADHM Cc1cccnc1[N-]S(=O)(=O)C1CCCC1 ZINC001259792708 991974242 /nfs/dbraw/zinc/97/42/42/991974242.db2.gz MVTGTUCVAQHEMM-UHFFFAOYSA-N -1 3 240.328 2.074 20 0 BEADHM O=S(=O)([N-]CC1CCCCCC1)C(F)F ZINC001259961517 992064921 /nfs/dbraw/zinc/06/49/21/992064921.db2.gz LTZQGKCNBDOCRJ-UHFFFAOYSA-N -1 3 241.303 2.099 20 0 BEADHM CC(C)O[N-]C(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC001261288761 992248420 /nfs/dbraw/zinc/24/84/20/992248420.db2.gz ONXYLIPACDEECQ-NWDGAFQWSA-N -1 3 243.347 2.284 20 0 BEADHM CC(C)=CCCOC(=O)c1cncc([O-])c1 ZINC001261584447 992402750 /nfs/dbraw/zinc/40/27/50/992402750.db2.gz ZQTYVQRTMPIQIR-UHFFFAOYSA-N -1 3 221.256 2.300 20 0 BEADHM Cc1[nH]c(CN2C[C@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC001574110919 992808387 /nfs/dbraw/zinc/80/83/87/992808387.db2.gz NQSDZIUSSINZOK-ZWNOBZJWSA-N -1 3 248.326 2.396 20 0 BEADHM Cc1ccc(F)c(CNC(C)(C)C(=O)[O-])c1F ZINC001574369098 992851711 /nfs/dbraw/zinc/85/17/11/992851711.db2.gz NCPZUIIZLCNPNK-UHFFFAOYSA-N -1 3 243.253 2.226 20 0 BEADHM O=C([O-])c1cc(CNCc2ccccc2)c[nH]1 ZINC001574945260 992946059 /nfs/dbraw/zinc/94/60/59/992946059.db2.gz REXRIIAGSMJPKV-UHFFFAOYSA-N -1 3 230.267 2.003 20 0 BEADHM [O-]c1cccnc1CNc1ccc(Cl)cn1 ZINC000381499036 993399466 /nfs/dbraw/zinc/39/94/66/993399466.db2.gz CTFZYYFOGFHIOO-UHFFFAOYSA-N -1 3 235.674 2.448 20 0 BEADHM C[C@H](N[C@@H]1CC12CC2)c1cc(C(=O)[O-])co1 ZINC001593220150 994308772 /nfs/dbraw/zinc/30/87/72/994308772.db2.gz QPNSLPNRHBNNFP-OIBJUYFYSA-N -1 3 221.256 2.181 20 0 BEADHM COc1cccc(C(=O)[O-])c1CN1C[C@@H](C)[C@@H]1C ZINC001599645168 994415390 /nfs/dbraw/zinc/41/53/90/994415390.db2.gz PDVGANJRWMEDMC-ZJUUUORDSA-N -1 3 249.310 2.234 20 0 BEADHM O=C([N-]c1ccsn1)c1ncc(F)cc1F ZINC001288212458 994458921 /nfs/dbraw/zinc/45/89/21/994458921.db2.gz MDNPAFSNKQMEEW-UHFFFAOYSA-N -1 3 241.222 2.069 20 0 BEADHM C[C@@](NC/C=C/Cl)(C(=O)[O-])c1ccccc1 ZINC001593255843 994516623 /nfs/dbraw/zinc/51/66/23/994516623.db2.gz DOJKHCXRZVAHLV-ZCRIDZFUSA-N -1 3 239.702 2.329 20 0 BEADHM C[C@](NC/C=C/Cl)(C(=O)[O-])c1ccccc1 ZINC001593255840 994517360 /nfs/dbraw/zinc/51/73/60/994517360.db2.gz DOJKHCXRZVAHLV-FZKGZDJFSA-N -1 3 239.702 2.329 20 0 BEADHM C[C@H](NC/C=C\C1CC1)c1cncc(C(=O)[O-])c1 ZINC001593256259 994519812 /nfs/dbraw/zinc/51/98/12/994519812.db2.gz GMRVYIVZKHZSIY-ZMWSMAPVSA-N -1 3 246.310 2.397 20 0 BEADHM CCO[N-]C(=O)c1c(F)ccc(F)c1Cl ZINC001290502617 994538218 /nfs/dbraw/zinc/53/82/18/994538218.db2.gz NLRUCSBPZNPSQY-UHFFFAOYSA-N -1 3 235.617 2.300 20 0 BEADHM CC1(C(=O)[O-])CN(C/C=C/c2ccc(F)cc2)C1 ZINC001593808518 996541704 /nfs/dbraw/zinc/54/17/04/996541704.db2.gz RFNYVGJUOWQYIC-NSCUHMNNSA-N -1 3 249.285 2.245 20 0 BEADHM O=C([O-])c1ccc(CN[C@@H]2CCCC[C@H]2F)[nH]1 ZINC001608887809 1170207597 /nfs/dbraw/zinc/20/75/97/1170207597.db2.gz FGNODYGRHQVOGB-NXEZZACHSA-N -1 3 240.278 2.083 20 0 BEADHM O=C([O-])c1cccc(CNC/C=C/Cl)c1 ZINC001608931151 1170209296 /nfs/dbraw/zinc/20/92/96/1170209296.db2.gz ARHLRZYRJMHLLR-GORDUTHDSA-N -1 3 225.675 2.227 20 0 BEADHM Cc1c(NC[C@@H]2C[C@@H]2C)cccc1-c1nnn[n-]1 ZINC001609385410 1170254122 /nfs/dbraw/zinc/25/41/22/1170254122.db2.gz BSVFOIVKJHRNPL-WPRPVWTQSA-N -1 3 243.314 2.243 20 0 BEADHM Cc1c(NC[C@@H]2C[C@@H]2C)cccc1-c1nn[n-]n1 ZINC001609385410 1170254124 /nfs/dbraw/zinc/25/41/24/1170254124.db2.gz BSVFOIVKJHRNPL-WPRPVWTQSA-N -1 3 243.314 2.243 20 0 BEADHM Cc1cc(NC[C@@H]2C[C@@H]2C)cc(-c2nnn[n-]2)c1 ZINC001609409846 1170254267 /nfs/dbraw/zinc/25/42/67/1170254267.db2.gz YYNJKMYOOYNLCN-ONGXEEELSA-N -1 3 243.314 2.243 20 0 BEADHM Cc1cc(NC[C@@H]2C[C@@H]2C)cc(-c2nn[n-]n2)c1 ZINC001609409846 1170254272 /nfs/dbraw/zinc/25/42/72/1170254272.db2.gz YYNJKMYOOYNLCN-ONGXEEELSA-N -1 3 243.314 2.243 20 0 BEADHM Fc1cc(-c2nn[n-]n2)ccc1NC1CCCC1 ZINC001609487742 1170261835 /nfs/dbraw/zinc/26/18/35/1170261835.db2.gz FNEASGMOJFQJJD-UHFFFAOYSA-N -1 3 247.277 2.360 20 0 BEADHM CC1(C)CN(Cc2c[nH]c(C(=O)[O-])c2)[C@H]1C1CC1 ZINC001609819436 1170294240 /nfs/dbraw/zinc/29/42/40/1170294240.db2.gz YCJLUXOPDOSMDQ-LBPRGKRZSA-N -1 3 248.326 2.333 20 0 BEADHM CCN(CCSC)Cc1ccoc1C(=O)[O-] ZINC001610002063 1170338473 /nfs/dbraw/zinc/33/84/73/1170338473.db2.gz PJHVZKPLTBETHN-UHFFFAOYSA-N -1 3 243.328 2.163 20 0 BEADHM CCC[C@H](N=c1ncnc2[nH][n-]cc1-2)C(C)(C)C ZINC001612396606 1170456780 /nfs/dbraw/zinc/45/67/80/1170456780.db2.gz MCNVBXLDZJGZRH-JTQLQIEISA-N -1 3 247.346 2.353 20 0 BEADHM CC(C)[C@@H](C)Nc1cccc(-c2nnn[n-]2)c1 ZINC000037102147 1170929434 /nfs/dbraw/zinc/92/94/34/1170929434.db2.gz LKSKGUZHJZTEKI-SECBINFHSA-N -1 3 231.303 2.323 20 0 BEADHM CC(C)[C@@H](C)Nc1cccc(-c2nn[n-]n2)c1 ZINC000037102147 1170929440 /nfs/dbraw/zinc/92/94/40/1170929440.db2.gz LKSKGUZHJZTEKI-SECBINFHSA-N -1 3 231.303 2.323 20 0 BEADHM C=C/C=C/CC(=O)NCc1ccc([O-])c(F)c1 ZINC001631430079 1171455906 /nfs/dbraw/zinc/45/59/06/1171455906.db2.gz NVXQSAZGXMOASX-ONEGZZNKSA-N -1 3 235.258 2.280 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@@H]3C[C@@H]3C2)c([O-])c1C ZINC000619362649 398142571 /nfs/dbraw/zinc/14/25/71/398142571.db2.gz ZNFFIZOHLGGLRN-VXGBXAGGSA-N -1 3 245.322 2.491 20 0 BEADHM C[C@H]1C[C@@H](c2nc3cccnc3c(=O)[n-]2)CCO1 ZINC000491593892 538921138 /nfs/dbraw/zinc/92/11/38/538921138.db2.gz KNLJRPMCRRVHCP-IUCAKERBSA-N -1 3 245.282 2.013 20 0 BEADHM Cc1cc(Cl)nc(C[N-]C(=O)C(C)(F)F)c1 ZINC000289288207 178071860 /nfs/dbraw/zinc/07/18/60/178071860.db2.gz UCEKVCYWWGHBPX-UHFFFAOYSA-N -1 3 248.660 2.315 20 0 BEADHM Cc1cc(F)c(CC(=O)[N-]OC(C)C)cc1F ZINC000295563296 178074892 /nfs/dbraw/zinc/07/48/92/178074892.db2.gz NDXUPRBUPMYWIX-UHFFFAOYSA-N -1 3 243.253 2.272 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2C[C@H](C)[C@H](C)C2)n1 ZINC000279602225 178202641 /nfs/dbraw/zinc/20/26/41/178202641.db2.gz XDCOPYOYKYROLE-WCABBAIRSA-N -1 3 235.331 2.139 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2ccco2)n1 ZINC000192526118 178202708 /nfs/dbraw/zinc/20/27/08/178202708.db2.gz PGXZPSKUXQDILI-JTQLQIEISA-N -1 3 247.298 2.277 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)S[C@H](C)[C@H](C)O)n1 ZINC000246992908 178203607 /nfs/dbraw/zinc/20/36/07/178203607.db2.gz PHAILKIRPUAGTB-YIZRAAEISA-N -1 3 242.344 2.054 20 0 BEADHM Cc1ccc(C(=O)N(C)CC(C)C)c([O-])c1 ZINC000037023418 178376463 /nfs/dbraw/zinc/37/64/63/178376463.db2.gz CJNBHOKNRVXDQS-UHFFFAOYSA-N -1 3 221.300 2.429 20 0 BEADHM Cc1ccc(C(=O)N(C)CCF)c([O-])c1C ZINC000293817557 178377207 /nfs/dbraw/zinc/37/72/07/178377207.db2.gz AVZHFQPFSFAITM-UHFFFAOYSA-N -1 3 225.263 2.051 20 0 BEADHM Cc1ccc(C(=O)N2CCCCC2)c([O-])c1 ZINC000019837690 178385769 /nfs/dbraw/zinc/38/57/69/178385769.db2.gz ZAGAVKUAYORPTG-UHFFFAOYSA-N -1 3 219.284 2.327 20 0 BEADHM CC(C)c1n[nH]cc1C(=O)Nc1ccccc1[O-] ZINC000188917817 346850241 /nfs/dbraw/zinc/85/02/41/346850241.db2.gz NPJQSCRMTNGRIH-UHFFFAOYSA-N -1 3 245.282 2.491 20 0 BEADHM CC1(C)CCC[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000306644242 361831404 /nfs/dbraw/zinc/83/14/04/361831404.db2.gz ZADDRPFUFCBPRL-SSDOTTSWSA-N -1 3 223.238 2.491 20 0 BEADHM CC(C)CCN(C)C(=O)c1cccc2[n-]nnc21 ZINC000189815454 538985334 /nfs/dbraw/zinc/98/53/34/538985334.db2.gz NEBQYEWFKCLCPF-UHFFFAOYSA-N -1 3 246.314 2.076 20 0 BEADHM CC(C)CCN(C)C(=O)c1cccc2nn[n-]c21 ZINC000189815454 538985335 /nfs/dbraw/zinc/98/53/35/538985335.db2.gz NEBQYEWFKCLCPF-UHFFFAOYSA-N -1 3 246.314 2.076 20 0 BEADHM CC(C)CCN(C)C(=O)c1cccc2n[n-]nc21 ZINC000189815454 538985336 /nfs/dbraw/zinc/98/53/36/538985336.db2.gz NEBQYEWFKCLCPF-UHFFFAOYSA-N -1 3 246.314 2.076 20 0 BEADHM [O-]c1cccnc1CNCc1ccccc1 ZINC000150149126 398314876 /nfs/dbraw/zinc/31/48/76/398314876.db2.gz TZVXJZSYFKKCCG-UHFFFAOYSA-N -1 3 214.268 2.077 20 0 BEADHM Cc1ncccc1C(=O)Nc1ccccc1[O-] ZINC000170994719 342893520 /nfs/dbraw/zinc/89/35/20/342893520.db2.gz CKCVWPHGNOOLFJ-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM CC[C@@H](C(=O)[O-])N(C)Cc1cc(C)ccc1F ZINC000234057186 342916963 /nfs/dbraw/zinc/91/69/63/342916963.db2.gz VZKYMKZJYGQBIF-LBPRGKRZSA-N -1 3 239.290 2.429 20 0 BEADHM CN(Cc1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000234282242 342919828 /nfs/dbraw/zinc/91/98/28/342919828.db2.gz UWIPQBOKNMECAF-UHFFFAOYSA-N -1 3 223.247 2.118 20 0 BEADHM Cc1[n-]n(CC2CCCC2)c(=O)c1C1CC1 ZINC000634590979 342939853 /nfs/dbraw/zinc/93/98/53/342939853.db2.gz PPBIGSONLACVKS-GFCCVEGCSA-N -1 3 220.316 2.421 20 0 BEADHM C[C@H]1CCc2[n-]n(CCc3ccccc3)c(=O)c21 ZINC000634592413 342946459 /nfs/dbraw/zinc/94/64/59/342946459.db2.gz INNWTULMRSONCM-SMDDNHRTSA-N -1 3 242.322 2.473 20 0 BEADHM CCc1[n-]n(-c2ccncc2)c(=O)c1C(C)C ZINC000634591819 342943888 /nfs/dbraw/zinc/94/38/88/342943888.db2.gz OYGCXPMOPBATEC-GFCCVEGCSA-N -1 3 231.299 2.466 20 0 BEADHM Cc1ccc(NC(=O)c2nccs2)c([O-])c1 ZINC000683532482 488188964 /nfs/dbraw/zinc/18/89/64/488188964.db2.gz DXVQNNQHOHMPMQ-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM CCc1cc(C(=O)N[C@@H]2C[C@H]2C2CC2)ccc1[O-] ZINC000487662853 529519362 /nfs/dbraw/zinc/51/93/62/529519362.db2.gz DDOWQXAEURXCGI-QWHCGFSZSA-N -1 3 245.322 2.483 20 0 BEADHM Cc1cnc(NC(=O)c2cccc([O-])c2)s1 ZINC000019839525 342959455 /nfs/dbraw/zinc/95/94/55/342959455.db2.gz AMFIUESGIPWMDD-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM C[C@@H](C1CC1)n1[n-]c(=O)c2ccccc2c1=O ZINC000634597662 342974931 /nfs/dbraw/zinc/97/49/31/342974931.db2.gz QFLNCAYSZFVNMR-QMMMGPOBSA-N -1 3 230.267 2.073 20 0 BEADHM CCc1cc(N2CCC[C@H](CC(=O)[O-])C2)ccn1 ZINC000307796976 259338703 /nfs/dbraw/zinc/33/87/03/259338703.db2.gz XVQUCJVBSCOZBO-LLVKDONJSA-N -1 3 248.326 2.335 20 0 BEADHM CCCCCn1ncc2cc([O-])ccc2c1=O ZINC000634618682 343017632 /nfs/dbraw/zinc/01/76/32/343017632.db2.gz ABUQSEHBXNVNFA-UHFFFAOYSA-N -1 3 232.283 2.292 20 0 BEADHM CC[C@H](C)n1[n-]c(=O)c2ccccc2c1=O ZINC000634624902 343026174 /nfs/dbraw/zinc/02/61/74/343026174.db2.gz UKFIGSQXGNNLKJ-QMMMGPOBSA-N -1 3 218.256 2.073 20 0 BEADHM CCc1[n-]n(C23CC(C2)C3)c(=O)c1C(C)C ZINC000634624933 343026211 /nfs/dbraw/zinc/02/62/11/343026211.db2.gz VEHCZZLQWHCTGU-QDYJBQRPSA-N -1 3 220.316 2.419 20 0 BEADHM C[C@@H](n1[n-]c2c(c1=O)[C@H](C)CC2)C(F)(F)F ZINC000634630846 343041496 /nfs/dbraw/zinc/04/14/96/343041496.db2.gz FVWBFQQOUFVQCO-JKMUOGBPSA-N -1 3 234.221 2.182 20 0 BEADHM Cc1[n-]n([C@H](C)c2ccncc2)c(=O)c1C1CC1 ZINC000634626830 343036495 /nfs/dbraw/zinc/03/64/95/343036495.db2.gz NDWOIRWFMXMIGQ-ZWNOBZJWSA-N -1 3 243.310 2.387 20 0 BEADHM C[C@H](CCC1CC1)NC(=O)c1c([O-])cccc1O ZINC000398143893 343071741 /nfs/dbraw/zinc/07/17/41/343071741.db2.gz AYQXBYFMLIBEJV-SECBINFHSA-N -1 3 249.310 2.406 20 0 BEADHM Cc1noc([N-]C(=O)c2cc3ccccc3o2)n1 ZINC000042703298 362018646 /nfs/dbraw/zinc/01/86/46/362018646.db2.gz BSQKOVGNBNNODQ-UHFFFAOYSA-N -1 3 243.222 2.377 20 0 BEADHM COc1ccc(C(=O)NCCCC2CC2)c([O-])c1 ZINC000128347675 346925786 /nfs/dbraw/zinc/92/57/86/346925786.db2.gz HIOSDUYHNACUOQ-UHFFFAOYSA-N -1 3 249.310 2.321 20 0 BEADHM C[C@@H](NCc1ccc(F)cc1F)[C@H](C)C(=O)[O-] ZINC000093028813 343150630 /nfs/dbraw/zinc/15/06/30/343150630.db2.gz XGYYGROUKLBNEH-JGVFFNPUSA-N -1 3 243.253 2.164 20 0 BEADHM C[C@H]1CCCCN1Cc1ccc(C(=O)[O-])cn1 ZINC000094762054 343157014 /nfs/dbraw/zinc/15/70/14/343157014.db2.gz ADYOPTGYCZFDGU-JTQLQIEISA-N -1 3 234.299 2.154 20 0 BEADHM CCC1CCN(c2ccncc2C(=O)[O-])CC1 ZINC000126001993 343168503 /nfs/dbraw/zinc/16/85/03/343168503.db2.gz QCJOFBAHOZKQJZ-UHFFFAOYSA-N -1 3 234.299 2.406 20 0 BEADHM O=C([O-])c1cnccc1NC(C1CC1)C1CC1 ZINC000126046664 343168566 /nfs/dbraw/zinc/16/85/66/343168566.db2.gz ZDLIQIUVNUYWBM-UHFFFAOYSA-N -1 3 232.283 2.380 20 0 BEADHM CCCCOCCNc1ccncc1C(=O)[O-] ZINC000126123740 343169007 /nfs/dbraw/zinc/16/90/07/343169007.db2.gz PVUVXVIFDRSBGL-UHFFFAOYSA-N -1 3 238.287 2.008 20 0 BEADHM O=C([O-])c1cnccc1N1C[C@H]2CCC[C@@H]2C1 ZINC000159902972 343202965 /nfs/dbraw/zinc/20/29/65/343202965.db2.gz GJDABPGDBXVVFQ-NXEZZACHSA-N -1 3 232.283 2.016 20 0 BEADHM CSCCN(C)Cc1ccsc1C(=O)[O-] ZINC000167577331 343209262 /nfs/dbraw/zinc/20/92/62/343209262.db2.gz KFRCUVOQLOTING-UHFFFAOYSA-N -1 3 245.369 2.241 20 0 BEADHM C[C@H]1CCC[C@H](C)N1C(=O)c1csc(=O)[n-]1 ZINC000335667122 136311239 /nfs/dbraw/zinc/31/12/39/136311239.db2.gz PCSUNFJQHIAEHK-YUMQZZPRSA-N -1 3 240.328 2.252 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCOC3)c([O-])c1 ZINC000335705239 136335782 /nfs/dbraw/zinc/33/57/82/136335782.db2.gz MLBFJYPQUPIVBO-IINYFYTJSA-N -1 3 247.294 2.066 20 0 BEADHM Cc1cncc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000335842769 136354585 /nfs/dbraw/zinc/35/45/85/136354585.db2.gz QTPOUWPCTOWGKA-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC[C@@H]2C[C@@H]2C)c1 ZINC000043115444 343463673 /nfs/dbraw/zinc/46/36/73/343463673.db2.gz ZBWSMDYELUYMRK-UWVGGRQHSA-N -1 3 219.284 2.086 20 0 BEADHM O=C(c1ccccc1[O-])N1C[C@@H]2CCCC[C@@H]21 ZINC000616729757 343555988 /nfs/dbraw/zinc/55/59/88/343555988.db2.gz WEWCPHNMQYQVKQ-JQWIXIFHSA-N -1 3 231.295 2.407 20 0 BEADHM Cc1ccc(NC(=O)C[C@H]2CCCO2)c([O-])c1 ZINC000047062997 343557258 /nfs/dbraw/zinc/55/72/58/343557258.db2.gz WEYNGXVVKDKJLV-SNVBAGLBSA-N -1 3 235.283 2.208 20 0 BEADHM C[C@H](NC(=O)c1cccc([O-])c1)c1cscn1 ZINC000622749089 343610241 /nfs/dbraw/zinc/61/02/41/343610241.db2.gz SPVZFSQTKGNEEL-QMMMGPOBSA-N -1 3 248.307 2.340 20 0 BEADHM CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000494919381 529930871 /nfs/dbraw/zinc/93/08/71/529930871.db2.gz BZSHIUKBCRZMPQ-UHFFFAOYSA-N -1 3 241.703 2.151 20 0 BEADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H]2C)c1 ZINC000641247688 362328022 /nfs/dbraw/zinc/32/80/22/362328022.db2.gz WQDGMCWJITYINF-QMMMGPOBSA-N -1 3 237.324 2.349 20 0 BEADHM C[C@@H](Nc1ccnc2ccccc21)C(=O)[O-] ZINC000042374114 344451842 /nfs/dbraw/zinc/45/18/42/344451842.db2.gz IWHWFCZMQLMOBM-MRVPVSSYSA-N -1 3 216.240 2.120 20 0 BEADHM Cc1cccc([O-])c1C(=O)NCCC(F)(F)F ZINC000625905660 344556867 /nfs/dbraw/zinc/55/68/67/344556867.db2.gz BLMPPTBQFULZTE-UHFFFAOYSA-N -1 3 247.216 2.383 20 0 BEADHM CCCCOCCNCc1nc(C)ccc1[O-] ZINC000112716888 344650669 /nfs/dbraw/zinc/65/06/69/344650669.db2.gz HQCLNHAHOGCUBY-UHFFFAOYSA-N -1 3 238.331 2.002 20 0 BEADHM COc1ccc([O-])c(C(=O)NCCCC2CC2)c1 ZINC000127802359 344655244 /nfs/dbraw/zinc/65/52/44/344655244.db2.gz LPKNPSGBQUDOIL-UHFFFAOYSA-N -1 3 249.310 2.321 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@]2(C)CC=CCC2)c1C ZINC000574292831 344734413 /nfs/dbraw/zinc/73/44/13/344734413.db2.gz TYFKCYMTSKMZPY-CQSZACIVSA-N -1 3 247.342 2.387 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@]2(C)CC=CCC2)c1C ZINC000574292830 344734608 /nfs/dbraw/zinc/73/46/08/344734608.db2.gz TYFKCYMTSKMZPY-AWEZNQCLSA-N -1 3 247.342 2.387 20 0 BEADHM Cc1csc2[n-]c(COC(C)C)nc(=O)c12 ZINC000075078724 344764963 /nfs/dbraw/zinc/76/49/63/344764963.db2.gz ZQGHFJYRJJVXAJ-UHFFFAOYSA-N -1 3 238.312 2.218 20 0 BEADHM CCC1(NC(=O)c2cccc([O-])c2)CCOCC1 ZINC000334420390 168493758 /nfs/dbraw/zinc/49/37/58/168493758.db2.gz ZXGRYHHFSHCOFO-UHFFFAOYSA-N -1 3 249.310 2.081 20 0 BEADHM c1ccc2c(c1)CC[C@@H]2SCCc1nnn[n-]1 ZINC000603342005 349920103 /nfs/dbraw/zinc/92/01/03/349920103.db2.gz UZQWPRZXKHGRQB-NSHDSACASA-N -1 3 246.339 2.163 20 0 BEADHM c1ccc2c(c1)CC[C@@H]2SCCc1nn[n-]n1 ZINC000603342005 349920105 /nfs/dbraw/zinc/92/01/05/349920105.db2.gz UZQWPRZXKHGRQB-NSHDSACASA-N -1 3 246.339 2.163 20 0 BEADHM COc1cc(NC(=O)c2cccc([O-])c2)ccn1 ZINC000311037533 344909790 /nfs/dbraw/zinc/90/97/90/344909790.db2.gz YNHJQPGJLOXKRG-UHFFFAOYSA-N -1 3 244.250 2.048 20 0 BEADHM Cc1ccc([O-])c(CN(C)CCC(F)(F)F)n1 ZINC000156052342 345120550 /nfs/dbraw/zinc/12/05/50/345120550.db2.gz PIUHGHQTFAKYDY-UHFFFAOYSA-N -1 3 248.248 2.480 20 0 BEADHM COc1ccccc1/C=C\C(=O)[N-]OCC(C)C ZINC000331362787 345249655 /nfs/dbraw/zinc/24/96/55/345249655.db2.gz CWVWFMFVAKANFW-HJWRWDBZSA-N -1 3 249.310 2.412 20 0 BEADHM CCN(Cc1nc(C)ccc1[O-])CC(F)(F)F ZINC000132516129 345333936 /nfs/dbraw/zinc/33/39/36/345333936.db2.gz BPJIOLQWFRNMSM-UHFFFAOYSA-N -1 3 248.248 2.480 20 0 BEADHM CCc1cccc(C(=O)Nc2cc(C)[nH]n2)c1[O-] ZINC000081750922 345490347 /nfs/dbraw/zinc/49/03/47/345490347.db2.gz AEQQFLWMJMJEIA-UHFFFAOYSA-N -1 3 245.282 2.238 20 0 BEADHM C1=C[C@@H](SCCc2nnn[n-]2)CCCCC1 ZINC000603339231 349929526 /nfs/dbraw/zinc/92/95/26/349929526.db2.gz CNBMDVPADCUHAJ-SNVBAGLBSA-N -1 3 238.360 2.364 20 0 BEADHM C1=C[C@@H](SCCc2nn[n-]n2)CCCCC1 ZINC000603339231 349929527 /nfs/dbraw/zinc/92/95/27/349929527.db2.gz CNBMDVPADCUHAJ-SNVBAGLBSA-N -1 3 238.360 2.364 20 0 BEADHM CC(C)(CCSCCc1nnn[n-]1)C1CC1 ZINC000603339333 349928845 /nfs/dbraw/zinc/92/88/45/349928845.db2.gz CVVOWBGOPZJDGO-UHFFFAOYSA-N -1 3 240.376 2.302 20 0 BEADHM CC(C)(CCSCCc1nn[n-]n1)C1CC1 ZINC000603339333 349928851 /nfs/dbraw/zinc/92/88/51/349928851.db2.gz CVVOWBGOPZJDGO-UHFFFAOYSA-N -1 3 240.376 2.302 20 0 BEADHM O=C([N-]OC1CCCC1)Nc1ccncc1 ZINC000089265211 345552792 /nfs/dbraw/zinc/55/27/92/345552792.db2.gz RMQZKXIADRANDY-UHFFFAOYSA-N -1 3 221.260 2.077 20 0 BEADHM CCc1ccc([O-])c(C(=O)NC2CC=CC2)c1 ZINC000151003692 537926333 /nfs/dbraw/zinc/92/63/33/537926333.db2.gz WJFQHMFPTPERMJ-UHFFFAOYSA-N -1 3 231.295 2.403 20 0 BEADHM Cc1ccc(C[S@@](=O)c2ccc([O-])cc2)nc1 ZINC000585743871 345987049 /nfs/dbraw/zinc/98/70/49/345987049.db2.gz JFJUZAHBHHGNEY-QGZVFWFLSA-N -1 3 247.319 2.403 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCCCN1C ZINC000635760355 346053283 /nfs/dbraw/zinc/05/32/83/346053283.db2.gz QTOUZABPAFYGPR-NSHDSACASA-N -1 3 248.326 2.123 20 0 BEADHM Cc1cccc(C(=O)Nc2ccc[nH]c2=O)c1[O-] ZINC000586757390 346058199 /nfs/dbraw/zinc/05/81/99/346058199.db2.gz LRNWRJCKOWGNAQ-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM CC[C@@H](NCc1ccccc1Cl)C(=O)[O-] ZINC000075423868 346040865 /nfs/dbraw/zinc/04/08/65/346040865.db2.gz RJBHGEWATIZCBX-SNVBAGLBSA-N -1 3 227.691 2.293 20 0 BEADHM CC(=CC(=O)N=c1cc2ccccn2[n-]1)C(C)C ZINC000635918662 346109576 /nfs/dbraw/zinc/10/95/76/346109576.db2.gz KVFOQPPQPVKKBW-UHFFFAOYSA-N -1 3 243.310 2.441 20 0 BEADHM C[C@H]1CSCCN1Cc1cc([O-])cc(F)c1 ZINC000186227573 346497862 /nfs/dbraw/zinc/49/78/62/346497862.db2.gz NLRBJVLRIATAFB-VIFPVBQESA-N -1 3 241.331 2.469 20 0 BEADHM Cc1ccc(NC(=O)c2ccccn2)c([O-])c1 ZINC000008378787 346560117 /nfs/dbraw/zinc/56/01/17/346560117.db2.gz AMEHKFNFTYVJSM-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM CN(C[C@@H]1CC1(C)C)C(=O)c1ccc(O)cc1[O-] ZINC000621048749 346594809 /nfs/dbraw/zinc/59/48/09/346594809.db2.gz ACBJXJVCZBSMCH-VIFPVBQESA-N -1 3 249.310 2.216 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCCCO1 ZINC000183021719 179160209 /nfs/dbraw/zinc/16/02/09/179160209.db2.gz UOMPXMCTUCOJJT-NSHDSACASA-N -1 3 235.283 2.208 20 0 BEADHM Cc1cccc([O-])c1NC(=O)c1cc[nH]c1 ZINC000336534894 179160227 /nfs/dbraw/zinc/16/02/27/179160227.db2.gz FJGIVEIWADAJDR-UHFFFAOYSA-N -1 3 216.240 2.281 20 0 BEADHM Cc1cccc([O-])c1NC(=O)COCC1CC1 ZINC000183048087 179160257 /nfs/dbraw/zinc/16/02/57/179160257.db2.gz GZIZBAKBGSMJPS-UHFFFAOYSA-N -1 3 235.283 2.066 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC000337519073 179161070 /nfs/dbraw/zinc/16/10/70/179161070.db2.gz WUELHZOQQWTAIM-GIPNMCIBSA-N -1 3 249.310 2.453 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCCOCC1 ZINC000336415693 179161101 /nfs/dbraw/zinc/16/11/01/179161101.db2.gz PQSVQKHKUKFQKB-LLVKDONJSA-N -1 3 249.310 2.456 20 0 BEADHM CCN(CC)C(=O)c1ccc(C)cc1[O-] ZINC000019837016 347359713 /nfs/dbraw/zinc/35/97/13/347359713.db2.gz AAMWAXFLKBCFHV-UHFFFAOYSA-N -1 3 207.273 2.183 20 0 BEADHM O=C(NCc1cccc(F)c1)c1ccccc1[O-] ZINC000020369843 259395580 /nfs/dbraw/zinc/39/55/80/259395580.db2.gz KEDIAUQJWNSNQZ-UHFFFAOYSA-N -1 3 245.253 2.461 20 0 BEADHM CC(C)(CNC(=O)c1c[n-]nn1)C1=CCCCC1 ZINC000355770683 187376178 /nfs/dbraw/zinc/37/61/78/187376178.db2.gz LUUHFKVBVUCHTI-UHFFFAOYSA-N -1 3 248.330 2.061 20 0 BEADHM CC(C)(CNC(=O)c1cnn[n-]1)C1=CCCCC1 ZINC000355770683 187376180 /nfs/dbraw/zinc/37/61/80/187376180.db2.gz LUUHFKVBVUCHTI-UHFFFAOYSA-N -1 3 248.330 2.061 20 0 BEADHM CC(C)(CNC(=O)c1cn[n-]n1)C1=CCCCC1 ZINC000355770683 187376181 /nfs/dbraw/zinc/37/61/81/187376181.db2.gz LUUHFKVBVUCHTI-UHFFFAOYSA-N -1 3 248.330 2.061 20 0 BEADHM CC[C@@H](C)N(CC)C(=O)c1cccc2[n-]nnc21 ZINC000616979305 347553526 /nfs/dbraw/zinc/55/35/26/347553526.db2.gz PBTTXVZVMYGGIH-SECBINFHSA-N -1 3 246.314 2.219 20 0 BEADHM CC[C@@H](C)N(CC)C(=O)c1cccc2nn[n-]c21 ZINC000616979305 347553530 /nfs/dbraw/zinc/55/35/30/347553530.db2.gz PBTTXVZVMYGGIH-SECBINFHSA-N -1 3 246.314 2.219 20 0 BEADHM CC[C@@H](C)N(CC)C(=O)c1cccc2n[n-]nc21 ZINC000616979305 347553531 /nfs/dbraw/zinc/55/35/31/347553531.db2.gz PBTTXVZVMYGGIH-SECBINFHSA-N -1 3 246.314 2.219 20 0 BEADHM Cc1ccccc1CC(=O)Nc1ccncc1[O-] ZINC000109889973 179260520 /nfs/dbraw/zinc/26/05/20/179260520.db2.gz QHDJFYVMJYKERR-UHFFFAOYSA-N -1 3 242.278 2.277 20 0 BEADHM O=C([N-]c1cc(F)c(F)cc1F)c1cocn1 ZINC000591249276 347633461 /nfs/dbraw/zinc/63/34/61/347633461.db2.gz KAHALQPEVPAOQZ-UHFFFAOYSA-N -1 3 242.156 2.344 20 0 BEADHM Cc1ncc(/C=C/C(=O)[N-]OC2CCC2)s1 ZINC000493515496 347866234 /nfs/dbraw/zinc/86/62/34/347866234.db2.gz CPPUSFZSGIEWNO-AATRIKPKSA-N -1 3 238.312 2.065 20 0 BEADHM Cc1cnc([N-]C(=O)c2cc(C(C)C)no2)o1 ZINC000531253648 347879528 /nfs/dbraw/zinc/87/95/28/347879528.db2.gz IFQSFFCBWMETCB-UHFFFAOYSA-N -1 3 235.243 2.347 20 0 BEADHM COc1cc(C(=O)N2CC3CC2(C)C3)ccc1[O-] ZINC000621215938 348444233 /nfs/dbraw/zinc/44/42/33/348444233.db2.gz YLZJJCKYXPSGDL-UHFFFAOYSA-N -1 3 247.294 2.025 20 0 BEADHM CC[C@H]1CCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000248759057 349149412 /nfs/dbraw/zinc/14/94/12/349149412.db2.gz QHOMXFSGHQVYCT-MNOVXSKESA-N -1 3 235.331 2.284 20 0 BEADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000333785592 538029153 /nfs/dbraw/zinc/02/91/53/538029153.db2.gz WIBSWIPWSZILCG-KCJUWKMLSA-N -1 3 240.328 2.013 20 0 BEADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])cn2)C[C@H]1C ZINC000253077652 349226472 /nfs/dbraw/zinc/22/64/72/349226472.db2.gz SHCJGORTJVWIHS-GHMZBOCLSA-N -1 3 248.326 2.258 20 0 BEADHM CN(Cc1ccc(C(=O)[O-])o1)CC1CCC1 ZINC000061479372 349369810 /nfs/dbraw/zinc/36/98/10/349369810.db2.gz IJEZPLUDSCFRSA-UHFFFAOYSA-N -1 3 223.272 2.210 20 0 BEADHM CN(CCCCCC(=O)[O-])Cc1ccoc1 ZINC000070595987 350027053 /nfs/dbraw/zinc/02/70/53/350027053.db2.gz DBEPEZSLFSHIIP-UHFFFAOYSA-N -1 3 225.288 2.356 20 0 BEADHM CCO[C@H](C(=O)[N-]c1onc(C)c1C)C(C)C ZINC000636924470 350069545 /nfs/dbraw/zinc/06/95/45/350069545.db2.gz HRCJNLRKBHZNTE-JTQLQIEISA-N -1 3 240.303 2.291 20 0 BEADHM CCO[C@@H](C(=O)[N-]c1onc(C)c1C)C(C)C ZINC000636924471 350069846 /nfs/dbraw/zinc/06/98/46/350069846.db2.gz HRCJNLRKBHZNTE-SNVBAGLBSA-N -1 3 240.303 2.291 20 0 BEADHM CCC(C)(C)OCC(=O)[N-]c1onc(C)c1C ZINC000410526384 191045413 /nfs/dbraw/zinc/04/54/13/191045413.db2.gz OCGBLRARMNWZLP-UHFFFAOYSA-N -1 3 240.303 2.435 20 0 BEADHM Cc1ncc(CNC(=O)c2cccc([O-])c2)s1 ZINC000049534792 180149777 /nfs/dbraw/zinc/14/97/77/180149777.db2.gz IPBCJPSDPBSPKL-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM COc1ccc(C(=O)N[C@@]23C[C@@H]2CCC3)c([O-])c1 ZINC000617201637 350335579 /nfs/dbraw/zinc/33/55/79/350335579.db2.gz FQDCFFSAFVXIHF-XPTSAGLGSA-N -1 3 247.294 2.073 20 0 BEADHM Cc1cc(C(=O)N2CCC[C@@H](F)C2)ccc1[O-] ZINC000575190887 350673296 /nfs/dbraw/zinc/67/32/96/350673296.db2.gz RDYVDJWSTHFMMI-LLVKDONJSA-N -1 3 237.274 2.275 20 0 BEADHM CC1(C)CCC[C@H](C(=O)Nc2ccncc2[O-])C1 ZINC000339600464 350767265 /nfs/dbraw/zinc/76/72/65/350767265.db2.gz VSHQXUYORVCLDE-JTQLQIEISA-N -1 3 248.326 2.364 20 0 BEADHM O=C(Nc1cccc([O-])c1F)C12CC(C1)C2 ZINC000626297643 350905756 /nfs/dbraw/zinc/90/57/56/350905756.db2.gz LKSAWJIODHIFRR-UHFFFAOYSA-N -1 3 221.231 2.270 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CCC(F)(F)C1 ZINC000626372961 351008826 /nfs/dbraw/zinc/00/88/26/351008826.db2.gz BIRAKCFHIYDBDZ-UHFFFAOYSA-N -1 3 241.237 2.182 20 0 BEADHM CCO[C@@H](C(=O)Nc1c(C)cccc1[O-])C1CC1 ZINC000626338484 350987621 /nfs/dbraw/zinc/98/76/21/350987621.db2.gz BVOLSHCNBPJWGT-CYBMUJFWSA-N -1 3 249.310 2.454 20 0 BEADHM COc1cc2nc(Cl)[n-]c(=O)c2c(OC)c1 ZINC000129373088 351650500 /nfs/dbraw/zinc/65/05/00/351650500.db2.gz IBFOBLQSEHVSIQ-UHFFFAOYSA-N -1 3 240.646 2.006 20 0 BEADHM C[C@@H]1OCC[C@H]1SCc1ncccc1[O-] ZINC000577817487 366068975 /nfs/dbraw/zinc/06/89/75/366068975.db2.gz JYJMTDRPHLGYSG-GZMMTYOYSA-N -1 3 225.313 2.198 20 0 BEADHM C[C@@H]1OCC[C@@H]1SCc1ncccc1[O-] ZINC000577817489 366069234 /nfs/dbraw/zinc/06/92/34/366069234.db2.gz JYJMTDRPHLGYSG-KWQFWETISA-N -1 3 225.313 2.198 20 0 BEADHM CCCC[C@@H](C)N(C)c1nc2nncc-2c(O)[n-]1 ZINC000290933463 352250178 /nfs/dbraw/zinc/25/01/78/352250178.db2.gz ZESOMRSLDOPCAE-MRVPVSSYSA-N -1 3 249.318 2.073 20 0 BEADHM Cc1cc(C(=O)[N-]c2ncc(Cl)s2)on1 ZINC000607951151 352455624 /nfs/dbraw/zinc/45/56/24/352455624.db2.gz IWRJXJQVSFYKSV-UHFFFAOYSA-N -1 3 243.675 2.345 20 0 BEADHM CC(C)N(CC(=O)[O-])Cc1cc(F)ccc1F ZINC000043459107 352637437 /nfs/dbraw/zinc/63/74/37/352637437.db2.gz SPISGKBTJIZECY-UHFFFAOYSA-N -1 3 243.253 2.260 20 0 BEADHM Cc1cc(C(=O)N[C@H]2CCC[C@H]2F)ccc1[O-] ZINC000334200074 352793288 /nfs/dbraw/zinc/79/32/88/352793288.db2.gz NANRHFYKCCYGLV-MNOVXSKESA-N -1 3 237.274 2.321 20 0 BEADHM CC(C)([N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000334204435 352798515 /nfs/dbraw/zinc/79/85/15/352798515.db2.gz SIKPDHUBRNGLIS-UHFFFAOYSA-N -1 3 245.369 2.215 20 0 BEADHM O=C(Nc1ncccc1[O-])c1sccc1F ZINC000334209428 352806055 /nfs/dbraw/zinc/80/60/55/352806055.db2.gz DEVOIWDUQPHGFT-UHFFFAOYSA-N -1 3 238.243 2.240 20 0 BEADHM C[C@@H]1CC[C@H](N(C)C(=O)c2ccc(O)cc2[O-])C1 ZINC000334249883 352842549 /nfs/dbraw/zinc/84/25/49/352842549.db2.gz ZLULDAJWQXKVAE-ZJUUUORDSA-N -1 3 249.310 2.358 20 0 BEADHM C[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(O)cc2[O-])C1 ZINC000334249877 352842580 /nfs/dbraw/zinc/84/25/80/352842580.db2.gz ZLULDAJWQXKVAE-NXEZZACHSA-N -1 3 249.310 2.358 20 0 BEADHM C[C@@H]1CC[C@H](C(=O)Nc2ncccc2[O-])C1 ZINC000334283194 352923997 /nfs/dbraw/zinc/92/39/97/352923997.db2.gz UYDQSWQXBJNVGE-BDAKNGLRSA-N -1 3 220.272 2.162 20 0 BEADHM C[C@@H]1CC[C@@H](C(=O)Nc2ncccc2[O-])C1 ZINC000334283201 352924159 /nfs/dbraw/zinc/92/41/59/352924159.db2.gz UYDQSWQXBJNVGE-RKDXNWHRSA-N -1 3 220.272 2.162 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-]CC2CCCC2)o1 ZINC000334341112 352977583 /nfs/dbraw/zinc/97/75/83/352977583.db2.gz NVUDLKXKBAQEDD-UHFFFAOYSA-N -1 3 243.328 2.057 20 0 BEADHM Cc1cccc(C(=O)N[C@H]2CC[C@H](F)C2)c1[O-] ZINC000334365296 353019199 /nfs/dbraw/zinc/01/91/99/353019199.db2.gz HOPNZRNOQVCHPJ-UWVGGRQHSA-N -1 3 237.274 2.321 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)C(C)(C)C2CC2)c1C ZINC000353365114 188061116 /nfs/dbraw/zinc/06/11/16/188061116.db2.gz IAVQAALPODJMBG-UHFFFAOYSA-N -1 3 235.331 2.077 20 0 BEADHM CC(C)CO[N-]C(=O)Nc1ccccc1 ZINC000039793143 188110321 /nfs/dbraw/zinc/11/03/21/188110321.db2.gz KVUFLKIRVYXOHS-UHFFFAOYSA-N -1 3 208.261 2.396 20 0 BEADHM CC(C)CO[N-]C(=O)CCOc1ccccc1 ZINC000085262940 188142918 /nfs/dbraw/zinc/14/29/18/188142918.db2.gz SYVHIMOSGONBHY-UHFFFAOYSA-N -1 3 237.299 2.159 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)CC(F)F)n1 ZINC000412246668 191271139 /nfs/dbraw/zinc/27/11/39/191271139.db2.gz PDBYXANLXLVYIP-LURJTMIESA-N -1 3 244.241 2.325 20 0 BEADHM COc1ccc([O-])c(C(=O)N(C)C(C)(C)C)c1 ZINC000336133984 188162398 /nfs/dbraw/zinc/16/23/98/188162398.db2.gz BGRGURQSAUFIEM-UHFFFAOYSA-N -1 3 237.299 2.271 20 0 BEADHM CC(=O)CCCC(=O)Nc1ccc(C)cc1[O-] ZINC000178476979 188166410 /nfs/dbraw/zinc/16/64/10/188166410.db2.gz ONGVWQLDHHWGLD-UHFFFAOYSA-N -1 3 235.283 2.398 20 0 BEADHM CC(C)=CCNC(=O)c1ccc([O-])c(C)c1 ZINC000232594382 188187311 /nfs/dbraw/zinc/18/73/11/188187311.db2.gz IHMVUEGRJBKNKB-UHFFFAOYSA-N -1 3 219.284 2.397 20 0 BEADHM CC(=O)CCC(=O)Nc1c(C)cccc1[O-] ZINC000282865958 188207281 /nfs/dbraw/zinc/20/72/81/188207281.db2.gz XPQDIFZSUIYTMJ-UHFFFAOYSA-N -1 3 221.256 2.008 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2cnn(C(C)C)c2)n1 ZINC000287372747 188208838 /nfs/dbraw/zinc/20/88/38/188208838.db2.gz ZILYMTNVSJLFIL-SNAWJCMRSA-N -1 3 244.298 2.438 20 0 BEADHM CC(C)(C)c1nc(C[N-]c2nnco2)cs1 ZINC000285181801 188223175 /nfs/dbraw/zinc/22/31/75/188223175.db2.gz RDHIEAROKJIZPS-UHFFFAOYSA-N -1 3 238.316 2.436 20 0 BEADHM COc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)c([O-])c1 ZINC000135428793 538115315 /nfs/dbraw/zinc/11/53/15/538115315.db2.gz IJKZWIGTRZRGSK-GHMZBOCLSA-N -1 3 247.294 2.385 20 0 BEADHM COc1ccc(NC(=O)[C@H]2C[C@H]2C2CC2)c([O-])c1 ZINC000135428844 538115322 /nfs/dbraw/zinc/11/53/22/538115322.db2.gz IJKZWIGTRZRGSK-QWRGUYRKSA-N -1 3 247.294 2.385 20 0 BEADHM CC[C@H](C)[C@@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000194172684 353626789 /nfs/dbraw/zinc/62/67/89/353626789.db2.gz KTUJITYCKBRKLA-DTWKUNHWSA-N -1 3 246.314 2.122 20 0 BEADHM CC[C@@H](C)[C@@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000194172671 353626840 /nfs/dbraw/zinc/62/68/40/353626840.db2.gz KTUJITYCKBRKLA-RKDXNWHRSA-N -1 3 246.314 2.122 20 0 BEADHM CC1(C)COCCN1Cc1cc([O-])cc(F)c1 ZINC000228750024 363264965 /nfs/dbraw/zinc/26/49/65/363264965.db2.gz XHHUOIGVSPCKKI-UHFFFAOYSA-N -1 3 239.290 2.142 20 0 BEADHM CCC1CN(Cc2cc([O-])cc(F)c2)C1 ZINC000334521907 353887685 /nfs/dbraw/zinc/88/76/85/353887685.db2.gz HJVKNEHRDHYJSM-UHFFFAOYSA-N -1 3 209.264 2.373 20 0 BEADHM O=C([O-])C1(NCc2ccc(F)c(Cl)c2)CC1 ZINC000231059010 363336592 /nfs/dbraw/zinc/33/65/92/363336592.db2.gz GOBNHUSJUILENC-UHFFFAOYSA-N -1 3 243.665 2.186 20 0 BEADHM CC1CCN(Cc2ncccc2[O-])CC1 ZINC000577985645 366160168 /nfs/dbraw/zinc/16/01/68/366160168.db2.gz DTNVTHZAGABTLW-UHFFFAOYSA-N -1 3 206.289 2.019 20 0 BEADHM Cc1ccc([O-])c(NC(=O)c2cccnc2C)n1 ZINC000345981211 354832960 /nfs/dbraw/zinc/83/29/60/354832960.db2.gz KEOXRDIBZSYQIY-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM CSCCCC(=O)Nc1nc(C)ccc1[O-] ZINC000345923461 354808575 /nfs/dbraw/zinc/80/85/75/354808575.db2.gz HUJFTKAYQABKIN-UHFFFAOYSA-N -1 3 240.328 2.177 20 0 BEADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2C2CC2)ccc1[O-] ZINC000335202518 355036613 /nfs/dbraw/zinc/03/66/13/355036613.db2.gz FTFORVCCQMNKJB-NWDGAFQWSA-N -1 3 231.295 2.229 20 0 BEADHM C[C@H](C(=O)Nc1ncccc1[O-])C1CCC1 ZINC000335215838 355054392 /nfs/dbraw/zinc/05/43/92/355054392.db2.gz UEOFNDOBJWUSIJ-QMMMGPOBSA-N -1 3 220.272 2.162 20 0 BEADHM CC(=O)c1ccc(C(=O)N2C[C@@H](C)[C@H]2C)cc1[O-] ZINC000335187330 355085964 /nfs/dbraw/zinc/08/59/64/355085964.db2.gz ATSZOKCJLCHCNR-RKDXNWHRSA-N -1 3 247.294 2.075 20 0 BEADHM Cc1ncsc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000352040879 134036585 /nfs/dbraw/zinc/03/65/85/134036585.db2.gz SNMSYMAGSRCZGO-ARJAWSKDSA-N -1 3 233.296 2.426 20 0 BEADHM C[C@H]1CC[C@@H](CNC(=O)c2csc(=O)[n-]2)C1 ZINC000335780094 355426943 /nfs/dbraw/zinc/42/69/43/355426943.db2.gz LKKCJNKDZBWNCT-JGVFFNPUSA-N -1 3 240.328 2.015 20 0 BEADHM C[C@H]1[C@@H](C(=O)Nc2cc(F)ccc2[O-])C1(F)F ZINC000335802930 355472725 /nfs/dbraw/zinc/47/27/25/355472725.db2.gz DECOLOWGUVFEMU-CDUCUWFYSA-N -1 3 245.200 2.371 20 0 BEADHM CC[C@H](C)CN(CC)C(=O)c1csc(=O)[n-]1 ZINC000350123369 355608722 /nfs/dbraw/zinc/60/87/22/355608722.db2.gz JNUUNAKXLQCPGJ-QMMMGPOBSA-N -1 3 242.344 2.357 20 0 BEADHM C[C@H]1CCSCCN1Cc1ncccc1[O-] ZINC000583591368 355703866 /nfs/dbraw/zinc/70/38/66/355703866.db2.gz MQEBPCJISGEOFO-JTQLQIEISA-N -1 3 238.356 2.115 20 0 BEADHM Cc1ccc(NC(=O)[C@H]2CCCOCC2)c([O-])c1 ZINC000335886957 355678188 /nfs/dbraw/zinc/67/81/88/355678188.db2.gz QGHOBSZZRXGXDS-NSHDSACASA-N -1 3 249.310 2.456 20 0 BEADHM O=C(Nc1cccc([O-])c1F)c1cncs1 ZINC000336021746 134055553 /nfs/dbraw/zinc/05/55/53/134055553.db2.gz XWJJBYVUCYCQLF-UHFFFAOYSA-N -1 3 238.243 2.240 20 0 BEADHM CCN(CCC1CC1)C(=O)c1csc(=O)[n-]1 ZINC000350893785 355866874 /nfs/dbraw/zinc/86/68/74/355866874.db2.gz DEJBNXGLXKMKMQ-UHFFFAOYSA-N -1 3 240.328 2.111 20 0 BEADHM CCc1ccc(CN2CCC[C@@H]2CC(=O)[O-])nc1 ZINC000379283003 356439803 /nfs/dbraw/zinc/43/98/03/356439803.db2.gz RLFLDKRHEVXDST-CYBMUJFWSA-N -1 3 248.326 2.083 20 0 BEADHM CCc1ccc([O-])c(C(=O)N(C)C(C)C)c1 ZINC000179389275 366249784 /nfs/dbraw/zinc/24/97/84/366249784.db2.gz LIWFDKFNYCZUGW-UHFFFAOYSA-N -1 3 221.300 2.435 20 0 BEADHM CC(C)(C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000350489789 366284212 /nfs/dbraw/zinc/28/42/12/366284212.db2.gz UCFCJMKITZUGIL-UHFFFAOYSA-N -1 3 243.270 2.305 20 0 BEADHM CC(=O)c1[n-]c(=N[C@@H]2CC[C@H](F)C2)sc1C ZINC000336194304 134125051 /nfs/dbraw/zinc/12/50/51/134125051.db2.gz FLCJSONEXOEFDA-DTWKUNHWSA-N -1 3 242.319 2.379 20 0 BEADHM CCCCO[C@@H](C)C(=O)[N-]c1onc(C)c1C ZINC000358338353 356866522 /nfs/dbraw/zinc/86/65/22/356866522.db2.gz SNODSYCMIQOKKW-JTQLQIEISA-N -1 3 240.303 2.435 20 0 BEADHM CCC[C@H](OC)C(=O)Nc1ccc([O-])cc1F ZINC000450514648 202189624 /nfs/dbraw/zinc/18/96/24/202189624.db2.gz DOZXWRFQAQQEGJ-NSHDSACASA-N -1 3 241.262 2.285 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@H](C)C(C)(F)F)c1 ZINC000389529189 356961896 /nfs/dbraw/zinc/96/18/96/356961896.db2.gz QUAZSPOESGMINQ-MRVPVSSYSA-N -1 3 243.253 2.474 20 0 BEADHM COc1ccc(NC(=O)C[C@@H]2C[C@H]2C)c([O-])c1 ZINC000356008268 538806326 /nfs/dbraw/zinc/80/63/26/538806326.db2.gz LHODVEMPJJSXPJ-BDAKNGLRSA-N -1 3 235.283 2.385 20 0 BEADHM Cc1ccc(C(=O)N2CCC[C@@H](F)C2)c([O-])c1 ZINC000582911361 357433816 /nfs/dbraw/zinc/43/38/16/357433816.db2.gz CYAJMCWHDLVYQP-SNVBAGLBSA-N -1 3 237.274 2.275 20 0 BEADHM CC(C)(CO)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000582973573 357449456 /nfs/dbraw/zinc/44/94/56/357449456.db2.gz CMYYBHAXTBRPAL-UHFFFAOYSA-N -1 3 243.690 2.003 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCCC(F)(F)F)c1 ZINC000063101310 357527262 /nfs/dbraw/zinc/52/72/62/357527262.db2.gz KCBLBBXIQSAWOO-UHFFFAOYSA-N -1 3 247.216 2.383 20 0 BEADHM C[C@H](CC(F)(F)F)NC(=O)c1cccc([O-])c1 ZINC000231901913 357639751 /nfs/dbraw/zinc/63/97/51/357639751.db2.gz BHMVYVBSQUAJIB-SSDOTTSWSA-N -1 3 247.216 2.463 20 0 BEADHM Cc1cnccc1CNC(=O)c1ccccc1[O-] ZINC000189338426 357633329 /nfs/dbraw/zinc/63/33/29/357633329.db2.gz XGAPUDOJPWJHGO-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM CCN(C)C(=O)c1cc([O-])ccc1Cl ZINC000233451580 357724431 /nfs/dbraw/zinc/72/44/31/357724431.db2.gz ZMYZZVISRANTHS-UHFFFAOYSA-N -1 3 213.664 2.138 20 0 BEADHM CC(C)OCCC[S@](=O)c1cccc([O-])c1 ZINC000191200420 357756740 /nfs/dbraw/zinc/75/67/40/357756740.db2.gz VTFJCCADFFYCAN-INIZCTEOSA-N -1 3 242.340 2.315 20 0 BEADHM CC(C)CN(C)Cc1occc1C(=O)[O-] ZINC000035433038 357992063 /nfs/dbraw/zinc/99/20/63/357992063.db2.gz KFKGWYMOGFINBK-UHFFFAOYSA-N -1 3 211.261 2.066 20 0 BEADHM CC[C@@H](C)CN(C)Cc1occc1C(=O)[O-] ZINC000035433049 357992188 /nfs/dbraw/zinc/99/21/88/357992188.db2.gz OPROUFLIEPVBAD-SECBINFHSA-N -1 3 225.288 2.456 20 0 BEADHM Cc1oc(CN(C)CC(C)C)cc1C(=O)[O-] ZINC000035432261 357992346 /nfs/dbraw/zinc/99/23/46/357992346.db2.gz CZENGSLNWSNPLH-UHFFFAOYSA-N -1 3 225.288 2.374 20 0 BEADHM C=CC=CCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001641250342 1172238725 /nfs/dbraw/zinc/23/87/25/1172238725.db2.gz HKKHAVQFTQSELQ-ONEGZZNKSA-N -1 3 243.266 2.339 20 0 BEADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1cccs1 ZINC000584735888 358164908 /nfs/dbraw/zinc/16/49/08/358164908.db2.gz USXQGWPHRGKIKL-UHFFFAOYSA-N -1 3 247.385 2.461 20 0 BEADHM C[C@@H]1CCC[C@H]1CNC(=O)c1csc(=O)[n-]1 ZINC000547422761 325352710 /nfs/dbraw/zinc/35/27/10/325352710.db2.gz UIGSFYDTWCDKAX-SFYZADRCSA-N -1 3 240.328 2.015 20 0 BEADHM CC/C=C\CN=c1[n-]c(C(=O)OC)c(C)s1 ZINC000450696054 202237858 /nfs/dbraw/zinc/23/78/58/202237858.db2.gz RRTUVHALGLZFHB-WAYWQWQTSA-N -1 3 240.328 2.038 20 0 BEADHM Cc1ccc(/C=C/C(=O)[N-]OCC(F)(F)F)o1 ZINC000135217303 325400522 /nfs/dbraw/zinc/40/05/22/325400522.db2.gz ABRANXBCZQRVAI-SNAWJCMRSA-N -1 3 249.188 2.211 20 0 BEADHM CCCN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000049480600 358691024 /nfs/dbraw/zinc/69/10/24/358691024.db2.gz BKEARHVDFCJFIV-UHFFFAOYSA-N -1 3 237.328 2.239 20 0 BEADHM O=C([O-])CC[C@H]1CCCCN1Cc1cccnc1 ZINC000050924747 358739411 /nfs/dbraw/zinc/73/94/11/358739411.db2.gz WULRCKHBADMVMA-CYBMUJFWSA-N -1 3 248.326 2.301 20 0 BEADHM CCC(C)=Cc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351362880 366516722 /nfs/dbraw/zinc/51/67/22/366516722.db2.gz BXDNKQSWTQOKEK-QPJJXVBHSA-N -1 3 232.243 2.046 20 0 BEADHM CCC=C(C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351374957 366519639 /nfs/dbraw/zinc/51/96/39/366519639.db2.gz RJKYXNDIOJGHQY-DAXSKMNVSA-N -1 3 232.243 2.046 20 0 BEADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccncc1[O-] ZINC000136791159 358885358 /nfs/dbraw/zinc/88/53/58/358885358.db2.gz KJLNRUJCHPGYQT-PELKAZGASA-N -1 3 220.272 2.162 20 0 BEADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1ccncc1[O-] ZINC000136791255 358886054 /nfs/dbraw/zinc/88/60/54/358886054.db2.gz KJLNRUJCHPGYQT-UFBFGSQYSA-N -1 3 220.272 2.162 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnccn1 ZINC000069692953 359032375 /nfs/dbraw/zinc/03/23/75/359032375.db2.gz QOYQNCMFQAZVFI-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c([O-])c1 ZINC000073067109 359095541 /nfs/dbraw/zinc/09/55/41/359095541.db2.gz ZKZWRACTIBVCPW-BREBYQMCSA-N -1 3 247.294 2.207 20 0 BEADHM Cc1cc(C(=O)Nc2ncccc2[O-])c(C)o1 ZINC000247858689 359246924 /nfs/dbraw/zinc/24/69/24/359246924.db2.gz YUVDFGNOPORWPA-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM [O-]c1ccc(Br)c(CN2CCC2)c1 ZINC000306202538 359292650 /nfs/dbraw/zinc/29/26/50/359292650.db2.gz WMBHUJVGLOJLFW-UHFFFAOYSA-N -1 3 242.116 2.360 20 0 BEADHM CC1(C)CC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000286946627 359400976 /nfs/dbraw/zinc/40/09/76/359400976.db2.gz FKCAZNJYUUGIFY-LLVKDONJSA-N -1 3 219.284 2.311 20 0 BEADHM O=[S@@](Cc1ccccn1)c1ccc([O-])cc1 ZINC000191181896 359537128 /nfs/dbraw/zinc/53/71/28/359537128.db2.gz ZZIUHVVCVNEDGT-INIZCTEOSA-N -1 3 233.292 2.095 20 0 BEADHM CN(CCC(=O)[O-])Cc1cnc2ccccc2c1 ZINC000380600541 359557073 /nfs/dbraw/zinc/55/70/73/359557073.db2.gz VOVKOPAHJNQFAF-UHFFFAOYSA-N -1 3 244.294 2.141 20 0 BEADHM CCc1cccc(C(=O)N[C@H]2CC[C@H]2C)c1[O-] ZINC000578782005 366647325 /nfs/dbraw/zinc/64/73/25/366647325.db2.gz ZPQXTGIZSJEQKS-SKDRFNHKSA-N -1 3 233.311 2.483 20 0 BEADHM CCc1cccc(C(=O)N[C@@H]2CC[C@H]2C)c1[O-] ZINC000578782002 366647586 /nfs/dbraw/zinc/64/75/86/366647586.db2.gz ZPQXTGIZSJEQKS-BXKDBHETSA-N -1 3 233.311 2.483 20 0 BEADHM CCCC[C@@H](O)CCC(=O)[N-]OC[C@@H](C)CC ZINC001641613016 1172272748 /nfs/dbraw/zinc/27/27/48/1172272748.db2.gz QSAZHJVBKGFQHE-NWDGAFQWSA-N -1 3 245.363 2.412 20 0 BEADHM Cc1ncoc1C(=O)Nc1ccc(C)cc1[O-] ZINC000094357405 360305322 /nfs/dbraw/zinc/30/53/22/360305322.db2.gz MWXBOTYAIBXHIS-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM CC1(C)CC[C@@H](CNC(=O)c2cccc([O-])c2)O1 ZINC000187344317 259516804 /nfs/dbraw/zinc/51/68/04/259516804.db2.gz LAJAPPAUQSPGAC-LBPRGKRZSA-N -1 3 249.310 2.080 20 0 BEADHM O=C(CCCF)N1CCCc2cccc([O-])c21 ZINC000613159026 360456938 /nfs/dbraw/zinc/45/69/38/360456938.db2.gz KXAIOKBQZMRRAG-UHFFFAOYSA-N -1 3 237.274 2.421 20 0 BEADHM C/C=C/CNC(=O)c1c(C)cccc1[O-] ZINC000629032195 360811573 /nfs/dbraw/zinc/81/15/73/360811573.db2.gz XRNWXWXCXATMMT-ONEGZZNKSA-N -1 3 205.257 2.007 20 0 BEADHM C/C=C\CNC(=O)c1cc(SC)ccc1[O-] ZINC000629032259 360811600 /nfs/dbraw/zinc/81/16/00/360811600.db2.gz YWDYKFVFSDYNOU-ARJAWSKDSA-N -1 3 237.324 2.420 20 0 BEADHM CCCn1c(=O)[n-]nc1SC[C@@H]1C[C@@H]1C ZINC000629096741 360876677 /nfs/dbraw/zinc/87/66/77/360876677.db2.gz TVPAVEYFTVFKGD-YUMQZZPRSA-N -1 3 227.333 2.142 20 0 BEADHM C[C@@H]1C[C@H]1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000629360970 361009558 /nfs/dbraw/zinc/00/95/58/361009558.db2.gz ZJLTYYKTNKPVQA-SCDSUCTJSA-N -1 3 245.322 2.326 20 0 BEADHM C[C@@H]1C[C@@H]1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000629360969 361009716 /nfs/dbraw/zinc/00/97/16/361009716.db2.gz ZJLTYYKTNKPVQA-QKCSRTOESA-N -1 3 245.322 2.326 20 0 BEADHM O=C(CC1CCC1)Nc1cccc2n[n-]nc21 ZINC000640379376 361192279 /nfs/dbraw/zinc/19/22/79/361192279.db2.gz GHCSCHBAGMECLB-UHFFFAOYSA-N -1 3 230.271 2.087 20 0 BEADHM O=C(Nc1cccc2n[n-]nc21)[C@@H]1CC=CCC1 ZINC000640381064 361192501 /nfs/dbraw/zinc/19/25/01/361192501.db2.gz GHDYUNBYOLGOLX-SECBINFHSA-N -1 3 242.282 2.253 20 0 BEADHM CO[C@H]1CC[C@@H](C(=O)Nc2c(C)cccc2[O-])C1 ZINC000613205597 361199932 /nfs/dbraw/zinc/19/99/32/361199932.db2.gz FIHXDOIZGPPDQJ-MNOVXSKESA-N -1 3 249.310 2.454 20 0 BEADHM CO[C@H]1CC[C@H](C(=O)Nc2c(C)cccc2[O-])C1 ZINC000613205598 361200868 /nfs/dbraw/zinc/20/08/68/361200868.db2.gz FIHXDOIZGPPDQJ-QWRGUYRKSA-N -1 3 249.310 2.454 20 0 BEADHM CCc1nc(C(=O)[N-]c2conc2C)c(C)o1 ZINC000640488420 361281780 /nfs/dbraw/zinc/28/17/80/361281780.db2.gz UKOFZNABGTUDDP-UHFFFAOYSA-N -1 3 235.243 2.094 20 0 BEADHM Cc1nocc1[N-]C(=O)c1c(C)nsc1C ZINC000640485813 361269692 /nfs/dbraw/zinc/26/96/92/361269692.db2.gz JPEBUKGKXQTXEB-UHFFFAOYSA-N -1 3 237.284 2.309 20 0 BEADHM CCS(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000070224369 361481401 /nfs/dbraw/zinc/48/14/01/361481401.db2.gz OVQTZPMZDIFGAP-UHFFFAOYSA-N -1 3 237.683 2.241 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCC[C@@H](C)F)c1 ZINC000436549004 201331640 /nfs/dbraw/zinc/33/16/40/201331640.db2.gz VXPYSFGEYPFCSJ-SECBINFHSA-N -1 3 225.263 2.179 20 0 BEADHM Cc1cc(=O)[nH]cc1NC(=O)c1ccccc1[O-] ZINC000436578702 201330584 /nfs/dbraw/zinc/33/05/84/201330584.db2.gz XMTUPHSAHFSHHA-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM CCN(C(=O)c1ccc(OC)cc1[O-])C1CCC1 ZINC000436530370 201330754 /nfs/dbraw/zinc/33/07/54/201330754.db2.gz QLAQGZCFVXKRMU-UHFFFAOYSA-N -1 3 249.310 2.415 20 0 BEADHM Cc1cccc(C(=O)NCC[C@H](C)F)c1[O-] ZINC000436543117 201330864 /nfs/dbraw/zinc/33/08/64/201330864.db2.gz JYQIBTMGNURJCC-VIFPVBQESA-N -1 3 225.263 2.179 20 0 BEADHM CCc1ccc(C(=O)NCC[C@H](C)F)c([O-])c1 ZINC000436545704 201331154 /nfs/dbraw/zinc/33/11/54/201331154.db2.gz OEFARLSZOFSARM-VIFPVBQESA-N -1 3 239.290 2.433 20 0 BEADHM CC(=O)C[C@H](C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436599515 201331480 /nfs/dbraw/zinc/33/14/80/201331480.db2.gz CYKSMLIEURNGOW-VIFPVBQESA-N -1 3 249.310 2.106 20 0 BEADHM CCCN(C)C(=O)c1cc(CC)ccc1[O-] ZINC000436533732 201331493 /nfs/dbraw/zinc/33/14/93/201331493.db2.gz VHAIMTMTJULNFX-UHFFFAOYSA-N -1 3 221.300 2.437 20 0 BEADHM CCCCNC(=O)c1cc(CC)ccc1[O-] ZINC000436754719 201335709 /nfs/dbraw/zinc/33/57/09/201335709.db2.gz JPEXDTDQBIAQIZ-UHFFFAOYSA-N -1 3 221.300 2.485 20 0 BEADHM Cc1cccc(C(=O)N[C@H]2CCC[C@H]2F)c1[O-] ZINC000436774078 201336787 /nfs/dbraw/zinc/33/67/87/201336787.db2.gz RLPXQRQTVBLRDP-MNOVXSKESA-N -1 3 237.274 2.321 20 0 BEADHM Cc1cccc(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC000436820102 201337682 /nfs/dbraw/zinc/33/76/82/201337682.db2.gz GBPNOOZLTGWPOX-IAZYJMLFSA-N -1 3 231.295 2.229 20 0 BEADHM CCc1ccc(C(=O)NC[C@H]2C[C@@H]2C)c([O-])c1 ZINC000436816277 201337792 /nfs/dbraw/zinc/33/77/92/201337792.db2.gz DAYGFLUHDKOHSN-GXSJLCMTSA-N -1 3 233.311 2.340 20 0 BEADHM CCc1ccc(C(=O)NC[C@@H]2C[C@H]2C)c([O-])c1 ZINC000436816279 201338556 /nfs/dbraw/zinc/33/85/56/201338556.db2.gz DAYGFLUHDKOHSN-KOLCDFICSA-N -1 3 233.311 2.340 20 0 BEADHM CCc1ccc(C(=O)NCC2(C)CC2)c([O-])c1 ZINC000436828269 201338577 /nfs/dbraw/zinc/33/85/77/201338577.db2.gz HKYDCQPDYWHURR-UHFFFAOYSA-N -1 3 233.311 2.485 20 0 BEADHM CCc1ccc(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000436824121 201338866 /nfs/dbraw/zinc/33/88/66/201338866.db2.gz YYROIKNDFJBSSK-GNXNZQSNSA-N -1 3 245.322 2.483 20 0 BEADHM CC(=O)c1ccc(C(=O)NCCC(C)C)cc1[O-] ZINC000436856498 201339267 /nfs/dbraw/zinc/33/92/67/201339267.db2.gz SSPAPBZATMLKBD-UHFFFAOYSA-N -1 3 249.310 2.371 20 0 BEADHM CCCCNC(=O)c1ccc(CC)cc1[O-] ZINC000436806152 201339515 /nfs/dbraw/zinc/33/95/15/201339515.db2.gz ZZTGTNAFAARAIL-UHFFFAOYSA-N -1 3 221.300 2.485 20 0 BEADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])[C@@H](C)[C@@H](C)O1 ZINC000436887016 201340270 /nfs/dbraw/zinc/34/02/70/201340270.db2.gz IKIFRTPYMFTHRI-OUAUKWLOSA-N -1 3 249.310 2.030 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2ccon2)c1 ZINC000436972653 201342561 /nfs/dbraw/zinc/34/25/61/201342561.db2.gz PRUWPUBTTROAOW-VIFPVBQESA-N -1 3 246.266 2.180 20 0 BEADHM CCc1cccc(C(=O)N2COCC2(C)C)c1[O-] ZINC000614430862 363815081 /nfs/dbraw/zinc/81/50/81/363815081.db2.gz HNTJJWZGMJLRDL-UHFFFAOYSA-N -1 3 249.310 2.163 20 0 BEADHM C[C@@H]1CC[C@H](c2nc3ccc([O-])cc3c(=O)[nH]2)O1 ZINC000630386066 364100150 /nfs/dbraw/zinc/10/01/50/364100150.db2.gz SVAFIPIYDOGTTP-RDDDGLTNSA-N -1 3 246.266 2.281 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2C)c1 ZINC000170807279 364285143 /nfs/dbraw/zinc/28/51/43/364285143.db2.gz RRFPHNIKQWWRCP-LDYMZIIASA-N -1 3 219.284 2.093 20 0 BEADHM CSCCN(C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000167577457 364796983 /nfs/dbraw/zinc/79/69/83/364796983.db2.gz PJDAOHZAXUGNHA-QMMMGPOBSA-N -1 3 243.328 2.334 20 0 BEADHM CCn1c(=O)[n-]nc1SCc1ccsc1 ZINC000573386853 364821149 /nfs/dbraw/zinc/82/11/49/364821149.db2.gz RJBLBYMRFLTVTO-UHFFFAOYSA-N -1 3 241.341 2.357 20 0 BEADHM CC[C@@H](C(=O)[O-])N1CCOc2ccc(C)cc2C1 ZINC000573626232 364879564 /nfs/dbraw/zinc/87/95/64/364879564.db2.gz TYIZOHNIHTYPNE-LBPRGKRZSA-N -1 3 249.310 2.053 20 0 BEADHM CCC(C)(C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000573825045 364925211 /nfs/dbraw/zinc/92/52/11/364925211.db2.gz GAMHHNYKARAYKM-UHFFFAOYSA-N -1 3 231.299 2.131 20 0 BEADHM Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])cn1 ZINC000174896606 365517869 /nfs/dbraw/zinc/51/78/69/365517869.db2.gz AEGAWELLTOXYOY-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM CCCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000576140724 365498589 /nfs/dbraw/zinc/49/85/89/365498589.db2.gz BPANDQGPYZQDQB-UHFFFAOYSA-N -1 3 221.256 2.333 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(O)c1 ZINC000182912995 366956086 /nfs/dbraw/zinc/95/60/86/366956086.db2.gz DVTNIVUWUGQRJG-UHFFFAOYSA-N -1 3 247.225 2.489 20 0 BEADHM C[C@@H]1[C@H](C)SCCN1Cc1ncccc1[O-] ZINC000579764344 367003923 /nfs/dbraw/zinc/00/39/23/367003923.db2.gz UWBISNDXGDUXBW-ZJUUUORDSA-N -1 3 238.356 2.113 20 0 BEADHM Cc1c(NCc2cc([O-])cc(F)c2)cnn1C ZINC000185618139 367138768 /nfs/dbraw/zinc/13/87/68/367138768.db2.gz CJUVGVBXYWTDPR-UHFFFAOYSA-N -1 3 235.262 2.185 20 0 BEADHM CC1=C(C)CN(c2ccncc2C(=O)[O-])CC1 ZINC000382964053 367575709 /nfs/dbraw/zinc/57/57/09/367575709.db2.gz XKBJWWSKKZAJLW-UHFFFAOYSA-N -1 3 232.283 2.326 20 0 BEADHM Cc1ncc(NC(=O)c2cccc(C)c2[O-])cn1 ZINC000384157538 367673989 /nfs/dbraw/zinc/67/39/89/367673989.db2.gz ITSZRASZABZVMI-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM CCN(CCC1CC1)C(=O)c1ccc(O)cc1[O-] ZINC000385919100 367882666 /nfs/dbraw/zinc/88/26/66/367882666.db2.gz JWUDRHVXDJAIAB-UHFFFAOYSA-N -1 3 249.310 2.360 20 0 BEADHM CCCCCCNC(=O)c1ccc2n[n-]nc2c1 ZINC000024462781 368003771 /nfs/dbraw/zinc/00/37/71/368003771.db2.gz OAPUOXVGTUXYQT-UHFFFAOYSA-N -1 3 246.314 2.268 20 0 BEADHM O=C(Cc1ccsc1)Nc1ncccc1[O-] ZINC000022263457 367983605 /nfs/dbraw/zinc/98/36/05/367983605.db2.gz JPYZMUNPQGZOGA-UHFFFAOYSA-N -1 3 234.280 2.030 20 0 BEADHM Cc1ccc(CNC[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000566301224 326030834 /nfs/dbraw/zinc/03/08/34/326030834.db2.gz UANAPZBYYLNPNZ-VIFPVBQESA-N -1 3 241.718 2.459 20 0 BEADHM CN(Cc1ccco1)Cc1ncccc1[O-] ZINC000581970553 368029970 /nfs/dbraw/zinc/02/99/70/368029970.db2.gz HJFXTMLCTIHUQM-UHFFFAOYSA-N -1 3 218.256 2.012 20 0 BEADHM CC(C)c1ccc(C(=O)N2CCC2)c([O-])c1 ZINC000068012743 368709684 /nfs/dbraw/zinc/70/96/84/368709684.db2.gz ROEDGGXKPUKYRN-UHFFFAOYSA-N -1 3 219.284 2.362 20 0 BEADHM O=C([O-])CCCNCc1sccc1Cl ZINC000308577709 326135478 /nfs/dbraw/zinc/13/54/78/326135478.db2.gz IJRHQIGQOYQRGL-UHFFFAOYSA-N -1 3 233.720 2.356 20 0 BEADHM C[C@H]1CCC[C@H](CNC(=O)c2ccccc2[O-])O1 ZINC000618565765 369174264 /nfs/dbraw/zinc/17/42/64/369174264.db2.gz 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-1 3 231.295 2.478 20 0 BEADHM [O-]C(=NOCC1CC1)Nc1ccc(F)cc1F ZINC000292227027 182281179 /nfs/dbraw/zinc/28/11/79/182281179.db2.gz ALJQRUVXHGKDFN-UHFFFAOYSA-N -1 3 242.225 2.428 20 0 BEADHM O=C([N-]OCC1CC1)Nc1ccc(F)cc1F ZINC000292227027 182281181 /nfs/dbraw/zinc/28/11/81/182281181.db2.gz ALJQRUVXHGKDFN-UHFFFAOYSA-N -1 3 242.225 2.428 20 0 BEADHM [O-]C(=NOCC1CC1)Nc1cc(F)ccc1F ZINC000292768609 182281821 /nfs/dbraw/zinc/28/18/21/182281821.db2.gz SOAFHPMNGAGHGF-UHFFFAOYSA-N -1 3 242.225 2.428 20 0 BEADHM O=C([N-]OCC1CC1)Nc1cc(F)ccc1F ZINC000292768609 182281822 /nfs/dbraw/zinc/28/18/22/182281822.db2.gz SOAFHPMNGAGHGF-UHFFFAOYSA-N -1 3 242.225 2.428 20 0 BEADHM O=C([N-]OCC1CC1)Nc1ccnc(Cl)c1 ZINC000297913423 182282018 /nfs/dbraw/zinc/28/20/18/182282018.db2.gz YQSVWGUELXCRKY-UHFFFAOYSA-N -1 3 241.678 2.198 20 0 BEADHM O=C([N-][C@@H]1CCCc2occc21)C(F)F ZINC000190172632 182299869 /nfs/dbraw/zinc/29/98/69/182299869.db2.gz GMWWSUIZAMPDEE-SSDOTTSWSA-N -1 3 215.199 2.038 20 0 BEADHM CC1=CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459372453 206125239 /nfs/dbraw/zinc/12/52/39/206125239.db2.gz JAJVBFBNROKZFC-UHFFFAOYSA-N -1 3 245.326 2.212 20 0 BEADHM O=C(Nc1cc[nH]n1)c1cc([O-])ccc1Cl ZINC000236557554 182350729 /nfs/dbraw/zinc/35/07/29/182350729.db2.gz HKGHQJGXDQKCPB-UHFFFAOYSA-N -1 3 237.646 2.021 20 0 BEADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCOC1 ZINC000270010702 182354053 /nfs/dbraw/zinc/35/40/53/182354053.db2.gz COGJGYONSIEPFN-ZETCQYMHSA-N -1 3 241.674 2.021 20 0 BEADHM O=C([N-]c1cc(C(F)(F)F)no1)C(F)(F)F ZINC000267203594 182348182 /nfs/dbraw/zinc/34/81/82/182348182.db2.gz QXIAESPQPQSDSF-UHFFFAOYSA-N -1 3 248.082 2.194 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])c1cncs1 ZINC000336361342 182349910 /nfs/dbraw/zinc/34/99/10/182349910.db2.gz RQTBONXLGLSMQT-UHFFFAOYSA-N -1 3 238.243 2.240 20 0 BEADHM O=C(Nc1cccc(C2CCC2)c1)c1nc[n-]n1 ZINC000291316024 182368168 /nfs/dbraw/zinc/36/81/68/182368168.db2.gz SDZCSIXMUDWGDI-UHFFFAOYSA-N -1 3 242.282 2.325 20 0 BEADHM O=C(Nc1ncccc1[O-])[C@H]1Cc2ccccc21 ZINC000336346216 182399428 /nfs/dbraw/zinc/39/94/28/182399428.db2.gz AUIVGPVUPYSEOH-NSHDSACASA-N -1 3 240.262 2.066 20 0 BEADHM CCCN(C(=O)c1cc(OC)ccc1[O-])C1CC1 ZINC000043327954 169046581 /nfs/dbraw/zinc/04/65/81/169046581.db2.gz GXFNXAZKSAPWAM-UHFFFAOYSA-N -1 3 249.310 2.415 20 0 BEADHM CCCN(C(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000221460765 169048362 /nfs/dbraw/zinc/04/83/62/169048362.db2.gz CQXNNJXLDCPWGI-UHFFFAOYSA-N -1 3 235.283 2.112 20 0 BEADHM CCCN(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163676441 169054955 /nfs/dbraw/zinc/05/49/55/169054955.db2.gz ZREUTPJTBYABEA-UHFFFAOYSA-N -1 3 240.278 2.083 20 0 BEADHM [O-]c1ccc(F)c(CNC2CCC2)c1F ZINC000293729848 183273103 /nfs/dbraw/zinc/27/31/03/183273103.db2.gz WHONFJYLOPJFFF-UHFFFAOYSA-N -1 3 213.227 2.313 20 0 BEADHM CCCN[C@H](C(=O)[O-])c1ccccc1Cl ZINC000037182758 169284335 /nfs/dbraw/zinc/28/43/35/169284335.db2.gz ALKJADSPLMSMAZ-JTQLQIEISA-N -1 3 227.691 2.465 20 0 BEADHM CCCN[C@@H](C(=O)[O-])c1ccccc1Cl ZINC000037182760 169273429 /nfs/dbraw/zinc/27/34/29/169273429.db2.gz ALKJADSPLMSMAZ-SNVBAGLBSA-N -1 3 227.691 2.465 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC[C@H]2CC2(C)C)c1 ZINC000226260099 134362354 /nfs/dbraw/zinc/36/23/54/134362354.db2.gz MGJCSTPCJMNONX-SNVBAGLBSA-N -1 3 233.311 2.477 20 0 BEADHM CC(C)(NCc1ccsc1Cl)C(=O)[O-] ZINC000308638420 383830944 /nfs/dbraw/zinc/83/09/44/383830944.db2.gz DBMNWLKLTWQXPV-UHFFFAOYSA-N -1 3 233.720 2.354 20 0 BEADHM CCO[N-]C(=O)CC(C)(C)c1ccccc1 ZINC000067143563 383908465 /nfs/dbraw/zinc/90/84/65/383908465.db2.gz KXZWAAMDAHCMGV-UHFFFAOYSA-N -1 3 221.300 2.422 20 0 BEADHM CCC[C@@H](NCc1ccccc1F)C(=O)[O-] ZINC000036839355 383912534 /nfs/dbraw/zinc/91/25/34/383912534.db2.gz WXSPDAKXFMHULA-LLVKDONJSA-N -1 3 225.263 2.169 20 0 BEADHM CCC[C@H]1CN(C(=O)c2ccccc2[O-])CCO1 ZINC000089944597 384013714 /nfs/dbraw/zinc/01/37/14/384013714.db2.gz ULNNHHUOYCSZGF-NSHDSACASA-N -1 3 249.310 2.033 20 0 BEADHM C[C@H](CC1CC1)NC(=O)c1c([O-])cccc1O ZINC000092121838 384140566 /nfs/dbraw/zinc/14/05/66/384140566.db2.gz DGCVMNAXMFXMPQ-MRVPVSSYSA-N -1 3 235.283 2.016 20 0 BEADHM CCC1(CNC(=O)c2c([O-])cccc2O)CCC1 ZINC000092124290 384164452 /nfs/dbraw/zinc/16/44/52/384164452.db2.gz IANSYIUGFMFRIA-UHFFFAOYSA-N -1 3 249.310 2.408 20 0 BEADHM CC(C)C1(CNC(=O)c2c([O-])cccc2O)CC1 ZINC000092124300 384165173 /nfs/dbraw/zinc/16/51/73/384165173.db2.gz NSRPQDRLBRPDIT-UHFFFAOYSA-N -1 3 249.310 2.264 20 0 BEADHM C[C@]1(c2nc(-c3ccc([O-])cc3)no2)CCCO1 ZINC000094789803 384314385 /nfs/dbraw/zinc/31/43/85/384314385.db2.gz FLKUIDXTDHKVIU-CYBMUJFWSA-N -1 3 246.266 2.468 20 0 BEADHM CCCCCC(C)(C)CNC(=O)c1c[n-]nn1 ZINC000094817848 384315013 /nfs/dbraw/zinc/31/50/13/384315013.db2.gz KWRIEMLKFIVVOI-UHFFFAOYSA-N -1 3 238.335 2.141 20 0 BEADHM CCCCCC(C)(C)CNC(=O)c1cnn[n-]1 ZINC000094817848 384315021 /nfs/dbraw/zinc/31/50/21/384315021.db2.gz KWRIEMLKFIVVOI-UHFFFAOYSA-N -1 3 238.335 2.141 20 0 BEADHM CCCCCC(C)(C)CNC(=O)c1cn[n-]n1 ZINC000094817848 384315025 /nfs/dbraw/zinc/31/50/25/384315025.db2.gz KWRIEMLKFIVVOI-UHFFFAOYSA-N -1 3 238.335 2.141 20 0 BEADHM CCOCc1nnc([N-]Cc2cccs2)o1 ZINC000133943094 384318258 /nfs/dbraw/zinc/31/82/58/384318258.db2.gz OPRPIEQIAHGPMD-UHFFFAOYSA-N -1 3 239.300 2.280 20 0 BEADHM CC1CCN(C(=O)/C=C/c2cncc([O-])c2)CC1 ZINC000179385620 384287212 /nfs/dbraw/zinc/28/72/12/384287212.db2.gz DTLSLQDHWNFHNP-NSCUHMNNSA-N -1 3 246.310 2.059 20 0 BEADHM Cc1cccc([O-])c1C(=O)N(C)CC(F)(F)F ZINC000624553539 384296392 /nfs/dbraw/zinc/29/63/92/384296392.db2.gz LMSAYEVZSARMCL-UHFFFAOYSA-N -1 3 247.216 2.335 20 0 BEADHM CC[C@H](C)CN(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000179490845 384297679 /nfs/dbraw/zinc/29/76/79/384297679.db2.gz NJMYKEBPHWKCRB-QRGHLMKCSA-N -1 3 248.326 2.305 20 0 BEADHM CC[C@]1(C)CCN(C(=O)c2c([O-])cccc2O)C1 ZINC000336470205 384352332 /nfs/dbraw/zinc/35/23/32/384352332.db2.gz OUYRAWQOOAXACB-CQSZACIVSA-N -1 3 249.310 2.360 20 0 BEADHM O=C(CCc1ccco1)[N-]OC1CCCC1 ZINC000135129688 384416803 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/nfs/dbraw/zinc/49/59/79/384495979.db2.gz WCITZJLJDSQPND-UHFFFAOYSA-N -1 3 248.348 2.105 20 0 BEADHM CCCCCSCCCOC(=O)[N-]C(N)=O ZINC000180725880 384495984 /nfs/dbraw/zinc/49/59/84/384495984.db2.gz WCITZJLJDSQPND-UHFFFAOYSA-N -1 3 248.348 2.105 20 0 BEADHM CO[N-]C(=O)[C@H](C)CCc1ccccc1F ZINC000079453573 384496196 /nfs/dbraw/zinc/49/61/96/384496196.db2.gz JLPITSHMHMUIFM-SECBINFHSA-N -1 3 225.263 2.072 20 0 BEADHM Cc1cnc(NC([O-])=NOCC(C)C)s1 ZINC000123386515 384555400 /nfs/dbraw/zinc/55/54/00/384555400.db2.gz ORQSLWDZOZYTBH-UHFFFAOYSA-N -1 3 229.305 2.161 20 0 BEADHM Cc1cnc(NC(=O)[N-]OCC(C)C)s1 ZINC000123386515 384555404 /nfs/dbraw/zinc/55/54/04/384555404.db2.gz ORQSLWDZOZYTBH-UHFFFAOYSA-N -1 3 229.305 2.161 20 0 BEADHM Cc1ccc([O-])c(CN(C)Cc2ccco2)n1 ZINC000162143984 384579977 /nfs/dbraw/zinc/57/99/77/384579977.db2.gz HDSDDDWOVRLBQQ-UHFFFAOYSA-N -1 3 232.283 2.321 20 0 BEADHM Cc1ncc(CNC(=O)c2ccccc2[O-])s1 ZINC000042372138 384638530 /nfs/dbraw/zinc/63/85/30/384638530.db2.gz JDCMMQRJMRGMLK-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM COc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1[O-] ZINC000082265691 384657370 /nfs/dbraw/zinc/65/73/70/384657370.db2.gz LDWDASTWSMDNFF-SNVBAGLBSA-N -1 3 249.310 2.273 20 0 BEADHM Cc1ccc([O-])c(CNCc2cccs2)n1 ZINC000082420342 384682646 /nfs/dbraw/zinc/68/26/46/384682646.db2.gz NHKZFVXRLRCUMG-UHFFFAOYSA-N -1 3 234.324 2.447 20 0 BEADHM CCN(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000101681688 384687098 /nfs/dbraw/zinc/68/70/98/384687098.db2.gz IEPWCRKZZGICHW-UHFFFAOYSA-N -1 3 207.273 2.101 20 0 BEADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H]1C ZINC000051361436 384703407 /nfs/dbraw/zinc/70/34/07/384703407.db2.gz NTYIZFWMJIHRIY-MRVPVSSYSA-N -1 3 223.272 2.271 20 0 BEADHM CCCCCNC(=O)c1c([O-])cccc1O ZINC000125546518 384727279 /nfs/dbraw/zinc/72/72/79/384727279.db2.gz KHCHBKWDTWCBSA-UHFFFAOYSA-N -1 3 223.272 2.018 20 0 BEADHM O=C([O-])C1(NCc2ccc(F)cc2Cl)CC1 ZINC000126278511 384757181 /nfs/dbraw/zinc/75/71/81/384757181.db2.gz BVHOEKWJXWDTHB-UHFFFAOYSA-N -1 3 243.665 2.186 20 0 BEADHM CC[C@@H](CC(=O)[N-]OC)c1ccccc1 ZINC000103429612 384771878 /nfs/dbraw/zinc/77/18/78/384771878.db2.gz AMBAVQMIFKHJLV-JTQLQIEISA-N -1 3 207.273 2.248 20 0 BEADHM CCON=C([O-])N1CC2(CC2)c2ccccc21 ZINC000186039356 384816040 /nfs/dbraw/zinc/81/60/40/384816040.db2.gz JLIXLXRGZHCPFH-UHFFFAOYSA-N -1 3 232.283 2.199 20 0 BEADHM CCO[N-]C(=O)N1CC2(CC2)c2ccccc21 ZINC000186039356 384816046 /nfs/dbraw/zinc/81/60/46/384816046.db2.gz JLIXLXRGZHCPFH-UHFFFAOYSA-N -1 3 232.283 2.199 20 0 BEADHM CO[C@@H]1CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC000186188199 384827878 /nfs/dbraw/zinc/82/78/78/384827878.db2.gz LBGSHAVWJYOEEL-CYBMUJFWSA-N -1 3 239.290 2.142 20 0 BEADHM Cc1ccc(C(=O)N2C[C@H](C)[C@@H]2C)c([O-])c1C ZINC000294432058 384827909 /nfs/dbraw/zinc/82/79/09/384827909.db2.gz ZVJIFAOFGZBQRY-ONGXEEELSA-N -1 3 233.311 2.489 20 0 BEADHM CO[N-]C(=O)Cc1coc2cc(C)c(C)cc12 ZINC000053720621 384804379 /nfs/dbraw/zinc/80/43/79/384804379.db2.gz BTAQKFJTTKSIKV-UHFFFAOYSA-N -1 3 233.267 2.270 20 0 BEADHM C[C@H](C(=O)[O-])N(C)Cc1ccc(Cl)s1 ZINC000042489042 384807711 /nfs/dbraw/zinc/80/77/11/384807711.db2.gz GLPRARNGJCMDDL-ZCFIWIBFSA-N -1 3 233.720 2.306 20 0 BEADHM Cc1cc(C(=O)N2CCCCC2)ccc1[O-] ZINC000150005917 384959448 /nfs/dbraw/zinc/95/94/48/384959448.db2.gz YFXWLDSCVAPNLF-UHFFFAOYSA-N -1 3 219.284 2.327 20 0 BEADHM O=C(CC[C@H]1CCOC1)Nc1ccccc1[O-] ZINC000175860681 384972593 /nfs/dbraw/zinc/97/25/93/384972593.db2.gz OTQJTEWEZZQKIC-JTQLQIEISA-N -1 3 235.283 2.147 20 0 BEADHM CCO[N-]C(=O)Nc1cccc(Cl)c1 ZINC000156876799 385000714 /nfs/dbraw/zinc/00/07/14/385000714.db2.gz HIGRNPAOMBJACO-UHFFFAOYSA-N -1 3 214.652 2.413 20 0 BEADHM O=C(CC[C@@H]1CCOC1)[N-]OCc1ccccc1 ZINC000177653129 385073765 /nfs/dbraw/zinc/07/37/65/385073765.db2.gz TYUIWMYIRSRBCJ-CYBMUJFWSA-N -1 3 249.310 2.051 20 0 BEADHM C[C@H](c1ccccn1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086757521 385045983 /nfs/dbraw/zinc/04/59/83/385045983.db2.gz ZDNSELALHORWSZ-VXGBXAGGSA-N -1 3 248.326 2.329 20 0 BEADHM CC1(C2(NC(=O)c3ccccc3[O-])CC2)CC1 ZINC000398319703 385134415 /nfs/dbraw/zinc/13/44/15/385134415.db2.gz XWEUWVKWNYDVKL-UHFFFAOYSA-N -1 3 231.295 2.455 20 0 BEADHM C[C@]1(C(=O)Nc2ccccc2[O-])C[C@H]2CC[C@@H]1O2 ZINC000189220053 385137756 /nfs/dbraw/zinc/13/77/56/385137756.db2.gz MQQXLAPGAMPVOZ-LQJRIPTKSA-N -1 3 247.294 2.288 20 0 BEADHM C/C=C(\CC)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000190177413 385217858 /nfs/dbraw/zinc/21/78/58/385217858.db2.gz BVLYPNVNXUSMLI-HWKANZROSA-N -1 3 248.208 2.118 20 0 BEADHM CC=C(CC)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000190177413 385217868 /nfs/dbraw/zinc/21/78/68/385217868.db2.gz BVLYPNVNXUSMLI-HWKANZROSA-N -1 3 248.208 2.118 20 0 BEADHM C[C@H](Nc1nc2nncc-2c(O)[n-]1)C1CCCC1 ZINC000290535039 385248883 /nfs/dbraw/zinc/24/88/83/385248883.db2.gz HUUSYXIJXZPKMA-ZETCQYMHSA-N -1 3 247.302 2.049 20 0 BEADHM CCCCN(C)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000177912504 385305964 /nfs/dbraw/zinc/30/59/64/385305964.db2.gz POUOPIBGBVKKNH-SNVBAGLBSA-N -1 3 223.320 2.284 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@H]2CC23CC3)c1 ZINC000424972452 385267180 /nfs/dbraw/zinc/26/71/80/385267180.db2.gz PYSAQZHSSYHKLV-LBPRGKRZSA-N -1 3 231.295 2.237 20 0 BEADHM CC(C)CO[N-]C(=O)/C=C/c1cccs1 ZINC000153671107 385273336 /nfs/dbraw/zinc/27/33/36/385273336.db2.gz CCHXGNBXLZXKGI-AATRIKPKSA-N -1 3 225.313 2.465 20 0 BEADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC1 ZINC000273395559 385358351 /nfs/dbraw/zinc/35/83/51/385358351.db2.gz PVKNPBDRBGQIST-UHFFFAOYSA-N -1 3 231.295 2.117 20 0 BEADHM CO[N-]C(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000155412644 385390440 /nfs/dbraw/zinc/39/04/40/385390440.db2.gz JDCHPPFGDBEJTL-SSDOTTSWSA-N -1 3 229.226 2.136 20 0 BEADHM Cc1ccc(C(=O)N[C@H](C)C(C)C)c([O-])c1 ZINC000020304744 385388408 /nfs/dbraw/zinc/38/84/08/385388408.db2.gz HNCOOUCAHCBIIG-SNVBAGLBSA-N -1 3 221.300 2.475 20 0 BEADHM C[C@H]([N-]C(=O)C1(C(F)(F)F)CC1)C(F)(F)F ZINC000644791949 385328633 /nfs/dbraw/zinc/32/86/33/385328633.db2.gz XPCMBHBNHYLTEQ-BYPYZUCNSA-N -1 3 249.154 2.396 20 0 BEADHM O=C(/C=C/C1CC1)Nc1ccc([O-])cc1F ZINC000492705907 385421495 /nfs/dbraw/zinc/42/14/95/385421495.db2.gz MSWIWRIXAYBQTG-ZZXKWVIFSA-N -1 3 221.231 2.436 20 0 BEADHM CCC[C@@H](CC)NC(=O)/C=C/c1cncc([O-])c1 ZINC000181937010 385446689 /nfs/dbraw/zinc/44/66/89/385446689.db2.gz UPRRSLVJCDULQO-NNNHXZLVSA-N -1 3 248.326 2.495 20 0 BEADHM Cc1ccc(C(=O)N[C@H]2C[C@@H]2C(F)F)c([O-])c1 ZINC000336157847 385468875 /nfs/dbraw/zinc/46/88/75/385468875.db2.gz XBCWXSKHWHPETC-IUCAKERBSA-N -1 3 241.237 2.084 20 0 BEADHM CCO[N-]C(=O)/C=C(\C)c1ccccc1OC ZINC000171362431 385478638 /nfs/dbraw/zinc/47/86/38/385478638.db2.gz VBVUFESPAHDFID-MDZDMXLPSA-N -1 3 235.283 2.166 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)/C=C\c1ccc(C)nc1 ZINC000492897306 385460970 /nfs/dbraw/zinc/46/09/70/385460970.db2.gz QJJVIYYTNXNZFZ-TVRMLOFPSA-N -1 3 248.326 2.497 20 0 BEADHM CC(C)C[C@H](C)NC(=O)/C=C/c1cncc([O-])c1 ZINC000182150215 385464086 /nfs/dbraw/zinc/46/40/86/385464086.db2.gz ZESDEUXPIZVIPL-ZWNMCFTASA-N -1 3 248.326 2.351 20 0 BEADHM CC(C)C[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000157471061 385503791 /nfs/dbraw/zinc/50/37/91/385503791.db2.gz RZAVEJXHAIAOTA-VIFPVBQESA-N -1 3 237.299 2.262 20 0 BEADHM Cc1c([C@@H](C)[N-]c2nc(C(C)C)no2)cnn1C ZINC000180396670 385521456 /nfs/dbraw/zinc/52/14/56/385521456.db2.gz UDTNSLTVLGIXLE-MRVPVSSYSA-N -1 3 249.318 2.408 20 0 BEADHM CC(C)OCC(=O)N1CCCc2cccc([O-])c21 ZINC000158140119 385551836 /nfs/dbraw/zinc/55/18/36/385551836.db2.gz VWMDNYCYZKWHNQ-UHFFFAOYSA-N -1 3 249.310 2.096 20 0 BEADHM O=C([O-])C1(NCc2cccc(Cl)c2F)CC1 ZINC000228246968 385567005 /nfs/dbraw/zinc/56/70/05/385567005.db2.gz JFRKRLQZHCAYLB-UHFFFAOYSA-N -1 3 243.665 2.186 20 0 BEADHM Cc1ccc(NC(=O)c2cncnc2C)c([O-])c1 ZINC000340033475 385690200 /nfs/dbraw/zinc/69/02/00/385690200.db2.gz QGAWHVREPIVADE-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM CC[C@H]1CN(C(=O)c2ccccc2[O-])CCCO1 ZINC000281388689 385667150 /nfs/dbraw/zinc/66/71/50/385667150.db2.gz VHRAUDXOPTVLBM-NSHDSACASA-N -1 3 249.310 2.033 20 0 BEADHM CCc1cc(=O)[n-]c(CN[C@@H]2CCC[C@H]2C)n1 ZINC000337465352 385671125 /nfs/dbraw/zinc/67/11/25/385671125.db2.gz MILPJDWJNIYVTP-MWLCHTKSSA-N -1 3 235.331 2.023 20 0 BEADHM CCO[C@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000183058733 385732668 /nfs/dbraw/zinc/73/26/68/385732668.db2.gz OSPFYEVLKPZJOO-SECBINFHSA-N -1 3 223.272 2.064 20 0 BEADHM CCO[C@@H]1C[C@H]1C(=O)Nc1c(C)cccc1[O-] ZINC000183047551 385732731 /nfs/dbraw/zinc/73/27/31/385732731.db2.gz LTRXJMQLBBFPRH-MWLCHTKSSA-N -1 3 235.283 2.064 20 0 BEADHM Cc1noc([N-]C(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c1C ZINC000282192759 385740789 /nfs/dbraw/zinc/74/07/89/385740789.db2.gz MLUWHMUCZIUYKQ-MATHAZKKSA-N -1 3 238.287 2.043 20 0 BEADHM CO[C@H](C)CCC(=O)Nc1ccccc1[O-] ZINC000183197504 385741578 /nfs/dbraw/zinc/74/15/78/385741578.db2.gz NBPICAZBBGOQCK-SECBINFHSA-N -1 3 223.272 2.146 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CCC=C(C)C2)c1 ZINC000230812782 385760052 /nfs/dbraw/zinc/76/00/52/385760052.db2.gz QWYLSKWFZVDFRI-UHFFFAOYSA-N -1 3 247.294 2.193 20 0 BEADHM O=C([O-])[C@@H]1CCN(Cc2ccc(Cl)s2)C1 ZINC000062134411 385762319 /nfs/dbraw/zinc/76/23/19/385762319.db2.gz CZNOPDGCSGIBSR-SSDOTTSWSA-N -1 3 245.731 2.308 20 0 BEADHM CC[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000182911108 385720981 /nfs/dbraw/zinc/72/09/81/385720981.db2.gz HIRKGNIDVRDGTC-BDAKNGLRSA-N -1 3 222.288 2.408 20 0 BEADHM CO[C@]1(C)CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000230268624 385725508 /nfs/dbraw/zinc/72/55/08/385725508.db2.gz WXYGKOSIFMGLST-CQSZACIVSA-N -1 3 249.310 2.033 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(C)c(OC)c1C ZINC000183912700 385803528 /nfs/dbraw/zinc/80/35/28/385803528.db2.gz SDPNWBOYFVCYIZ-UHFFFAOYSA-N -1 3 238.287 2.385 20 0 BEADHM Cc1cc(C(=O)N2C[C@@H](C)[C@H]2C)ccc1[O-] ZINC000294090945 385803925 /nfs/dbraw/zinc/80/39/25/385803925.db2.gz MHQHHWFBZNFADE-NXEZZACHSA-N -1 3 219.284 2.181 20 0 BEADHM O=S(=O)(CCCCF)[N-]c1ccccc1F ZINC000294316240 385836573 /nfs/dbraw/zinc/83/65/73/385836573.db2.gz WGZJPTLDGRLESP-UHFFFAOYSA-N -1 3 249.282 2.317 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@H]2CC[C@H](F)C2)c1 ZINC000335740097 385848715 /nfs/dbraw/zinc/84/87/15/385848715.db2.gz KJLDVESKVPRHFY-UWVGGRQHSA-N -1 3 237.274 2.321 20 0 BEADHM Cc1ccoc1C[N-]c1nnc([C@H]2CCCO2)o1 ZINC000272208688 385884475 /nfs/dbraw/zinc/88/44/75/385884475.db2.gz IRIOBHJDYIQCKU-SECBINFHSA-N -1 3 249.270 2.435 20 0 BEADHM O=c1[n-]nc(Cl)cc1NCc1ccccc1 ZINC000307080338 385892295 /nfs/dbraw/zinc/89/22/95/385892295.db2.gz ILVAXIUZTLILLN-UHFFFAOYSA-N -1 3 235.674 2.035 20 0 BEADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1nnc(SC)[n-]1 ZINC000272467181 385905088 /nfs/dbraw/zinc/90/50/88/385905088.db2.gz DEUAEDZSDHLGHQ-RNFRBKRXSA-N -1 3 242.348 2.147 20 0 BEADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1nc(SC)n[n-]1 ZINC000272467181 385905092 /nfs/dbraw/zinc/90/50/92/385905092.db2.gz DEUAEDZSDHLGHQ-RNFRBKRXSA-N -1 3 242.348 2.147 20 0 BEADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1n[n-]c(SC)n1 ZINC000272467181 385905099 /nfs/dbraw/zinc/90/50/99/385905099.db2.gz DEUAEDZSDHLGHQ-RNFRBKRXSA-N -1 3 242.348 2.147 20 0 BEADHM COc1cc(C(=O)N[C@@H]2CC=CCC2)ccc1[O-] ZINC000272574506 385914721 /nfs/dbraw/zinc/91/47/21/385914721.db2.gz DAPVKZQUFQBPSM-LLVKDONJSA-N -1 3 247.294 2.239 20 0 BEADHM CCOc1cc(C(=O)[N-]c2cc(C)ccn2)on1 ZINC000294671942 385879587 /nfs/dbraw/zinc/87/95/87/385879587.db2.gz ZXLIYSYTSVULLB-UHFFFAOYSA-N -1 3 247.254 2.029 20 0 BEADHM Cc1ccncc1/C=C/C(=O)[N-]OCC(C)C ZINC000273220495 385978401 /nfs/dbraw/zinc/97/84/01/385978401.db2.gz NQBCESHYZBEYJQ-SNAWJCMRSA-N -1 3 234.299 2.107 20 0 BEADHM Cc1ccnc(NC([O-])=NOCC(C)C)c1 ZINC000273221743 385979742 /nfs/dbraw/zinc/97/97/42/385979742.db2.gz LFUSBHUHXQJODS-UHFFFAOYSA-N -1 3 223.276 2.099 20 0 BEADHM Cc1ccnc(NC(=O)[N-]OCC(C)C)c1 ZINC000273221743 385979746 /nfs/dbraw/zinc/97/97/46/385979746.db2.gz LFUSBHUHXQJODS-UHFFFAOYSA-N -1 3 223.276 2.099 20 0 BEADHM C[C@H]1CN(Cc2ccsc2)CC[C@@H]1C(=O)[O-] ZINC000309131384 385983919 /nfs/dbraw/zinc/98/39/19/385983919.db2.gz GWBVIQPGUJPQTM-ONGXEEELSA-N -1 3 239.340 2.291 20 0 BEADHM C[C@@H]1CN(Cc2ccsc2)CC[C@@H]1C(=O)[O-] ZINC000309131382 385984374 /nfs/dbraw/zinc/98/43/74/385984374.db2.gz GWBVIQPGUJPQTM-KOLCDFICSA-N -1 3 239.340 2.291 20 0 BEADHM C[C@H]1CN(Cc2ccsc2)CC[C@H]1C(=O)[O-] ZINC000309131380 385984533 /nfs/dbraw/zinc/98/45/33/385984533.db2.gz GWBVIQPGUJPQTM-GXSJLCMTSA-N -1 3 239.340 2.291 20 0 BEADHM C[C@@H]1CN(Cc2ccsc2)CC[C@H]1C(=O)[O-] ZINC000309131383 385985777 /nfs/dbraw/zinc/98/57/77/385985777.db2.gz GWBVIQPGUJPQTM-MWLCHTKSSA-N -1 3 239.340 2.291 20 0 BEADHM Cc1ccc(NC(=O)[C@@]2(C)CCCOC2)c([O-])c1 ZINC000272949251 385955162 /nfs/dbraw/zinc/95/51/62/385955162.db2.gz URTMYQGQYSNWIE-AWEZNQCLSA-N -1 3 249.310 2.456 20 0 BEADHM Cc1cnc(C(C)(C)[N-]C(=O)C(C)(F)F)s1 ZINC000295093477 385962489 /nfs/dbraw/zinc/96/24/89/385962489.db2.gz WOHIWIOBTMBKFB-UHFFFAOYSA-N -1 3 248.298 2.458 20 0 BEADHM CC[C@@H]1C[C@@H](NC(=O)c2cccc([O-])c2)CCO1 ZINC000335066411 386007475 /nfs/dbraw/zinc/00/74/75/386007475.db2.gz FOAYCDIFNLRSNO-WCQYABFASA-N -1 3 249.310 2.080 20 0 BEADHM Cc1nnc([N-][C@@H](C)c2nc3ccccc3[nH]2)o1 ZINC000286211350 386009863 /nfs/dbraw/zinc/00/98/63/386009863.db2.gz SEFMRRKPXVZPLW-ZETCQYMHSA-N -1 3 243.270 2.427 20 0 BEADHM CCC[C@H](C)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000221655804 386013583 /nfs/dbraw/zinc/01/35/83/386013583.db2.gz XCXMSTCJWJHQBF-VIFPVBQESA-N -1 3 237.299 2.358 20 0 BEADHM CCN(C(=O)c1ccc(O)cc1[O-])C1CCC1 ZINC000334422017 386028932 /nfs/dbraw/zinc/02/89/32/386028932.db2.gz REBILJQEJRGBLH-UHFFFAOYSA-N -1 3 235.283 2.112 20 0 BEADHM COc1c(F)ccc(F)c1C(=O)[N-]OC(C)C ZINC000295545124 386049701 /nfs/dbraw/zinc/04/97/01/386049701.db2.gz LEQWKZGFXSLYFY-UHFFFAOYSA-N -1 3 245.225 2.043 20 0 BEADHM COc1cc(C(=O)N[C@H]2CCC2(C)C)ccc1[O-] ZINC000287266615 386109514 /nfs/dbraw/zinc/10/95/14/386109514.db2.gz SDJXXIARKRXCMT-LBPRGKRZSA-N -1 3 249.310 2.319 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2CCCC2)c1 ZINC000334444240 386064878 /nfs/dbraw/zinc/06/48/78/386064878.db2.gz GEQHFPZUEATETF-UHFFFAOYSA-N -1 3 219.284 2.191 20 0 BEADHM CC(C)[C@H]1CCCN1C(=O)c1csc(=O)[n-]1 ZINC000336050753 386164857 /nfs/dbraw/zinc/16/48/57/386164857.db2.gz AHRKYRHDJNOHOY-SECBINFHSA-N -1 3 240.328 2.109 20 0 BEADHM Cc1ccc(NC(=O)c2ccncc2F)c([O-])c1 ZINC000077490195 386171893 /nfs/dbraw/zinc/17/18/93/386171893.db2.gz UPZJZLDXIQWWJX-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Cc1ccc(NC([O-])=NOC(C)C)c(C)n1 ZINC000296509373 386178867 /nfs/dbraw/zinc/17/88/67/386178867.db2.gz DMUGBCDAEMINCQ-UHFFFAOYSA-N -1 3 223.276 2.160 20 0 BEADHM Cc1ccc(NC(=O)[N-]OC(C)C)c(C)n1 ZINC000296509373 386178871 /nfs/dbraw/zinc/17/88/71/386178871.db2.gz DMUGBCDAEMINCQ-UHFFFAOYSA-N -1 3 223.276 2.160 20 0 BEADHM CSc1nnc(NC(=O)CC2CCCC2)[n-]1 ZINC000263860890 386185368 /nfs/dbraw/zinc/18/53/68/386185368.db2.gz IAFLUHCJGYFHEI-UHFFFAOYSA-N -1 3 240.332 2.045 20 0 BEADHM CSc1n[n-]c(NC(=O)CC2CCCC2)n1 ZINC000263860890 386185370 /nfs/dbraw/zinc/18/53/70/386185370.db2.gz IAFLUHCJGYFHEI-UHFFFAOYSA-N -1 3 240.332 2.045 20 0 BEADHM CSc1nc(NC(=O)CC2CCCC2)n[n-]1 ZINC000263860890 386185376 /nfs/dbraw/zinc/18/53/76/386185376.db2.gz IAFLUHCJGYFHEI-UHFFFAOYSA-N -1 3 240.332 2.045 20 0 BEADHM CCCCOc1ccc(C(=O)NC2CC2)c([O-])c1 ZINC000189998838 386140409 /nfs/dbraw/zinc/14/04/09/386140409.db2.gz XGFXAVGFZQNGHI-UHFFFAOYSA-N -1 3 249.310 2.463 20 0 BEADHM CC(F)(F)C(=O)[N-]Cc1ccc(Cl)nc1 ZINC000288629102 386222944 /nfs/dbraw/zinc/22/29/44/386222944.db2.gz SJJBIVQYMHVRSS-UHFFFAOYSA-N -1 3 234.633 2.006 20 0 BEADHM CC(C)C(C)(C)C(=O)Nc1ncccc1[O-] ZINC000275867935 386247670 /nfs/dbraw/zinc/24/76/70/386247670.db2.gz AKKZCIKODNTXPD-UHFFFAOYSA-N -1 3 222.288 2.408 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2cccnc2)n1 ZINC000339117073 386258276 /nfs/dbraw/zinc/25/82/76/386258276.db2.gz ZSBXGHLDVRNSSK-SNAWJCMRSA-N -1 3 213.240 2.056 20 0 BEADHM CC(C)Cn1cc(NC([O-])=NOC(C)C)cn1 ZINC000296728203 386196377 /nfs/dbraw/zinc/19/63/77/386196377.db2.gz FJJGIVVADSZYAM-UHFFFAOYSA-N -1 3 240.307 2.001 20 0 BEADHM CC(C)Cn1cc(NC(=O)[N-]OC(C)C)cn1 ZINC000296728203 386196378 /nfs/dbraw/zinc/19/63/78/386196378.db2.gz FJJGIVVADSZYAM-UHFFFAOYSA-N -1 3 240.307 2.001 20 0 BEADHM CC(=O)CCCc1nc(-c2ccc([O-])cc2)no1 ZINC000276199705 386283855 /nfs/dbraw/zinc/28/38/55/386283855.db2.gz BEMGXZWKVCQRMR-UHFFFAOYSA-N -1 3 246.266 2.354 20 0 BEADHM C[C@H]1CC(C)(C)CN1C(=O)c1csc(=O)[n-]1 ZINC000335264520 386298262 /nfs/dbraw/zinc/29/82/62/386298262.db2.gz LEXCIPIWCSYDRZ-ZETCQYMHSA-N -1 3 240.328 2.109 20 0 BEADHM Cc1csc(NC([O-])=NOC/C=C/Cl)n1 ZINC000289410221 386299034 /nfs/dbraw/zinc/29/90/34/386299034.db2.gz BKYMBGVDPFZQIB-NSCUHMNNSA-N -1 3 247.707 2.257 20 0 BEADHM Cc1csc(NC(=O)[N-]OC/C=C/Cl)n1 ZINC000289410221 386299042 /nfs/dbraw/zinc/29/90/42/386299042.db2.gz BKYMBGVDPFZQIB-NSCUHMNNSA-N -1 3 247.707 2.257 20 0 BEADHM COc1cc(C(=O)N2C[C@H](C)[C@@H](C)C2)ccc1[O-] ZINC000276038245 386265170 /nfs/dbraw/zinc/26/51/70/386265170.db2.gz VLWVUJQKIOYPDZ-UWVGGRQHSA-N -1 3 249.310 2.129 20 0 BEADHM CC[C@H]1CCN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000276058899 386268221 /nfs/dbraw/zinc/26/82/21/386268221.db2.gz ZIQSOZSTIJNBKU-JTQLQIEISA-N -1 3 249.310 2.273 20 0 BEADHM CC(F)(F)C(=O)[N-]Cc1ccc(Cl)cn1 ZINC000289213803 386271873 /nfs/dbraw/zinc/27/18/73/386271873.db2.gz MLSFTVMYOXDIKX-UHFFFAOYSA-N -1 3 234.633 2.006 20 0 BEADHM CC(C)(C)c1cnc(C[N-]C(=O)C(C)(F)F)o1 ZINC000289259832 386278254 /nfs/dbraw/zinc/27/82/54/386278254.db2.gz QINYOHFNEZIWHQ-UHFFFAOYSA-N -1 3 246.257 2.244 20 0 BEADHM COc1cc(C)ccc1CNC1(C(=O)[O-])CCC1 ZINC000417560309 386382939 /nfs/dbraw/zinc/38/29/39/386382939.db2.gz BLEIXAJFPVQGCE-UHFFFAOYSA-N -1 3 249.310 2.101 20 0 BEADHM CSC[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000227031680 386450447 /nfs/dbraw/zinc/45/04/47/386450447.db2.gz YALXBJHSGZMDQR-SECBINFHSA-N -1 3 239.340 2.182 20 0 BEADHM CO[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000266114700 386399790 /nfs/dbraw/zinc/39/97/90/386399790.db2.gz SOOCMRFMHIAGII-DGCLKSJQSA-N -1 3 249.310 2.080 20 0 BEADHM CC(C)=CCNC(=O)c1ccccc1[O-] ZINC000191836164 386470505 /nfs/dbraw/zinc/47/05/05/386470505.db2.gz YTRBYJMLJSVMMH-UHFFFAOYSA-N -1 3 205.257 2.088 20 0 BEADHM Cc1ccc2c(c1C)OC[C@@H]2[N-]C(=O)C(F)F ZINC000278752385 386578791 /nfs/dbraw/zinc/57/87/91/386578791.db2.gz SMBVVPPQVZMEDK-VIFPVBQESA-N -1 3 241.237 2.118 20 0 BEADHM CC1(C(=O)NCc2ccc([O-])c(F)c2)CCC1 ZINC000267361703 386532140 /nfs/dbraw/zinc/53/21/40/386532140.db2.gz ABDROUDVFRWQAC-UHFFFAOYSA-N -1 3 237.274 2.338 20 0 BEADHM O=C(CC[C@H]1CCCCO1)[N-]OC/C=C/Cl ZINC000291434910 386544733 /nfs/dbraw/zinc/54/47/33/386544733.db2.gz AQYVZUFGKVGLRL-KFEJWOFMSA-N -1 3 247.722 2.136 20 0 BEADHM CCc1cc(C(=O)N2CC[C@H](C)C2)ccc1[O-] ZINC000291452388 386548863 /nfs/dbraw/zinc/54/88/63/386548863.db2.gz HFMADLLGDPDUJK-JTQLQIEISA-N -1 3 233.311 2.437 20 0 BEADHM CC(=O)[N-]OC[C@@H](OC(C)C)c1ccccc1 ZINC000292123808 386622280 /nfs/dbraw/zinc/62/22/80/386622280.db2.gz RRNZXLNZRKBKGA-CYBMUJFWSA-N -1 3 237.299 2.220 20 0 BEADHM CC[C@H]1CC[C@@H](C(=O)[N-]c2onc(C)c2C)O1 ZINC000268301919 386639426 /nfs/dbraw/zinc/63/94/26/386639426.db2.gz XDSNUEXOBWBKGT-UWVGGRQHSA-N -1 3 238.287 2.188 20 0 BEADHM Cc1csc([C@H]([N-]C(=O)C(F)F)C2CC2)n1 ZINC000279190595 386647609 /nfs/dbraw/zinc/64/76/09/386647609.db2.gz MXWAIEZWPIJLQY-SSDOTTSWSA-N -1 3 246.282 2.284 20 0 BEADHM CC(C)C(C)(C)C(=O)[N-]OC/C=C/Cl ZINC000291987646 386607427 /nfs/dbraw/zinc/60/74/27/386607427.db2.gz ZTUMIUVZJLVJCR-AATRIKPKSA-N -1 3 219.712 2.469 20 0 BEADHM O=C(c1cccc([O-])c1)N1CC(CC(F)F)C1 ZINC000335490665 386609016 /nfs/dbraw/zinc/60/90/16/386609016.db2.gz YPHQMYZGVIYMGR-UHFFFAOYSA-N -1 3 241.237 2.119 20 0 BEADHM COc1cc(C(=O)NCC2CCCC2)ccc1[O-] ZINC000268057702 386613280 /nfs/dbraw/zinc/61/32/80/386613280.db2.gz BPGJRPOOGOCYJY-UHFFFAOYSA-N -1 3 249.310 2.321 20 0 BEADHM CC[C@](C)([N-]C(=O)C(F)F)c1nccs1 ZINC000279276103 386657534 /nfs/dbraw/zinc/65/75/34/386657534.db2.gz XCPJCUIZKDXBDU-VIFPVBQESA-N -1 3 234.271 2.150 20 0 BEADHM CC(=O)c1cccc(NC(=O)[N-]OCC2CC2)c1 ZINC000292370744 386658198 /nfs/dbraw/zinc/65/81/98/386658198.db2.gz SEMGYYYKIOSFTK-UHFFFAOYSA-N -1 3 248.282 2.352 20 0 BEADHM C/C=C(\C=C\C(=O)[N-]O[C@@H]1CCCCO1)CC ZINC000268791987 386694972 /nfs/dbraw/zinc/69/49/72/386694972.db2.gz GKBSZTNPBLTCSK-JMTFSFDXSA-N -1 3 239.315 2.473 20 0 BEADHM CN(C)c1ccc(NC(=O)[N-]OCC2CC2)cc1 ZINC000292859609 386739706 /nfs/dbraw/zinc/73/97/06/386739706.db2.gz RVTJAFXXNHTWAR-UHFFFAOYSA-N -1 3 249.314 2.216 20 0 BEADHM CCCNC(=O)c1ccc(CC)cc1[O-] ZINC000188485128 386746149 /nfs/dbraw/zinc/74/61/49/386746149.db2.gz HIGCCCQKIXKLCJ-UHFFFAOYSA-N -1 3 207.273 2.094 20 0 BEADHM Cc1ccc2oc([N-][C@H](C(N)=O)C(C)C)nc2c1 ZINC000269202180 386761525 /nfs/dbraw/zinc/76/15/25/386761525.db2.gz YWYBLVLDCDVPIW-NSHDSACASA-N -1 3 247.298 2.058 20 0 BEADHM C[C@@H](C[C@H]1CCCO1)NC(=O)c1cccc([O-])c1 ZINC000357440886 386784657 /nfs/dbraw/zinc/78/46/57/386784657.db2.gz HYEZTVGLRYHOKS-GXFFZTMASA-N -1 3 249.310 2.080 20 0 BEADHM CCCCC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000340938406 386801664 /nfs/dbraw/zinc/80/16/64/386801664.db2.gz ZLLNBSYTYPDLCX-JTQLQIEISA-N -1 3 238.335 2.055 20 0 BEADHM CSCCON=C([O-])Nc1cccc(F)c1 ZINC000280630714 386832841 /nfs/dbraw/zinc/83/28/41/386832841.db2.gz XJXZCHKBXOEBFW-UHFFFAOYSA-N -1 3 244.291 2.242 20 0 BEADHM CSCCO[N-]C(=O)Nc1cccc(F)c1 ZINC000280630714 386832845 /nfs/dbraw/zinc/83/28/45/386832845.db2.gz XJXZCHKBXOEBFW-UHFFFAOYSA-N -1 3 244.291 2.242 20 0 BEADHM C[C@@H]1CCCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000334782331 386838369 /nfs/dbraw/zinc/83/83/69/386838369.db2.gz XCZMLQIKAZQOBA-MRVPVSSYSA-N -1 3 240.328 2.111 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Cc1cccc(O)c1 ZINC000293860820 386891209 /nfs/dbraw/zinc/89/12/09/386891209.db2.gz XUDRWIACTCGMRS-SNVBAGLBSA-N -1 3 237.299 2.029 20 0 BEADHM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1ccco1 ZINC000331429953 386854042 /nfs/dbraw/zinc/85/40/42/386854042.db2.gz FQEVOZYEUQUWHC-SECBINFHSA-N -1 3 243.328 2.137 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)/C=C/c1ncccc1C ZINC000293688988 386862058 /nfs/dbraw/zinc/86/20/58/386862058.db2.gz JZCYXEPNQACDSD-WSKFYRRCSA-N -1 3 248.326 2.497 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-]CCC2(C)CC2)o1 ZINC000331653770 386878376 /nfs/dbraw/zinc/87/83/76/386878376.db2.gz LQXJROYFCTXWKL-UHFFFAOYSA-N -1 3 243.328 2.057 20 0 BEADHM Cc1cc(Cl)cc(NC(=O)CC(N)=O)c1[O-] ZINC000335768910 386913495 /nfs/dbraw/zinc/91/34/95/386913495.db2.gz MKGVZCGWURQFBH-UHFFFAOYSA-N -1 3 242.662 2.218 20 0 BEADHM Cn1ccc(CNCc2cc([O-])cc(F)c2)c1 ZINC000349646400 386896772 /nfs/dbraw/zinc/89/67/72/386896772.db2.gz PRXGMLPRSXRZSL-UHFFFAOYSA-N -1 3 234.274 2.160 20 0 BEADHM CCC1(C[N-]S(=O)(=O)c2ccc(C)o2)CC1 ZINC000331861016 386919479 /nfs/dbraw/zinc/91/94/79/386919479.db2.gz ISLUJKKQRRLVKL-UHFFFAOYSA-N -1 3 243.328 2.057 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@H]1C1CC1 ZINC000334888234 386960550 /nfs/dbraw/zinc/96/05/50/386960550.db2.gz CKUJITZIBHBJSP-GFCCVEGCSA-N -1 3 249.285 2.085 20 0 BEADHM Cc1ccc(C(=O)NCc2cccnc2)c([O-])c1 ZINC000020548701 387107602 /nfs/dbraw/zinc/10/76/02/387107602.db2.gz ROKVLUIVYGEPHC-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM O=C(NCc1ccc([O-])c(F)c1)[C@]12C[C@H]1CCC2 ZINC000335025754 387117355 /nfs/dbraw/zinc/11/73/55/387117355.db2.gz LEIBIFKBPABCMJ-QMTHXVAHSA-N -1 3 249.285 2.338 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@H]2CCC[C@H]2C)c1C ZINC000336389797 387218304 /nfs/dbraw/zinc/21/83/04/387218304.db2.gz NWPJJOQPVNQXOI-SCZZXKLOSA-N -1 3 235.331 2.077 20 0 BEADHM Cc1ccnc(NCc2ccc([O-])c(F)c2)n1 ZINC000078020326 387226976 /nfs/dbraw/zinc/22/69/76/387226976.db2.gz CXDMKMXUHJUGQR-UHFFFAOYSA-N -1 3 233.246 2.242 20 0 BEADHM COc1cccc(C(=O)N2CCCC2(C)C)c1[O-] ZINC000063072965 387247990 /nfs/dbraw/zinc/24/79/90/387247990.db2.gz LIXPZBONOPVUCP-UHFFFAOYSA-N -1 3 249.310 2.415 20 0 BEADHM C[C@H](CF)NC(=O)Cc1ccc([O-])cc1Cl ZINC000360590694 387315180 /nfs/dbraw/zinc/31/51/80/387315180.db2.gz GWCMNCAZLXNUPM-SSDOTTSWSA-N -1 3 245.681 2.062 20 0 BEADHM CCc1ccc([O-])c(C(=O)Nc2cnns2)c1 ZINC000188187617 387255882 /nfs/dbraw/zinc/25/58/82/387255882.db2.gz ZMMWSXLJPUZXQQ-UHFFFAOYSA-N -1 3 249.295 2.058 20 0 BEADHM CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000352508047 387267003 /nfs/dbraw/zinc/26/70/03/387267003.db2.gz LNAMISBICQLGOA-YGRLFVJLSA-N -1 3 248.326 2.086 20 0 BEADHM CC(C)C(C)(C)C(=O)NCc1ncccc1[O-] ZINC000352511805 387267773 /nfs/dbraw/zinc/26/77/73/387267773.db2.gz ZPQWVCYNFSGHFU-UHFFFAOYSA-N -1 3 236.315 2.086 20 0 BEADHM CCc1ccc([O-])c(C(=O)N(C)CC2CC2)c1 ZINC000354458314 387378960 /nfs/dbraw/zinc/37/89/60/387378960.db2.gz IWXLFZNOTHMPOZ-UHFFFAOYSA-N -1 3 233.311 2.437 20 0 BEADHM CC[C@@H](C)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000421926305 387506945 /nfs/dbraw/zinc/50/69/45/387506945.db2.gz YRTAIUQJKXQABM-SECBINFHSA-N -1 3 239.290 2.236 20 0 BEADHM CCc1ccc(CNCc2ncccc2[O-])o1 ZINC000355293039 387513232 /nfs/dbraw/zinc/51/32/32/387513232.db2.gz PYXAMECOZYGUAI-UHFFFAOYSA-N -1 3 232.283 2.232 20 0 BEADHM CC1=C(C)C[N@@H+](Cc2ncccc2[O-])CC1 ZINC000516215101 387482308 /nfs/dbraw/zinc/48/23/08/387482308.db2.gz GGYRTNKNUAKAON-UHFFFAOYSA-N -1 3 218.300 2.329 20 0 BEADHM CC1=C(C)CN(Cc2ncccc2[O-])CC1 ZINC000516215101 387482311 /nfs/dbraw/zinc/48/23/11/387482311.db2.gz GGYRTNKNUAKAON-UHFFFAOYSA-N -1 3 218.300 2.329 20 0 BEADHM CC(C)n1cccc1C(=O)Nc1ncccc1[O-] ZINC000122146170 387487511 /nfs/dbraw/zinc/48/75/11/387487511.db2.gz HUUJMCINCHYWCA-UHFFFAOYSA-N -1 3 245.282 2.422 20 0 BEADHM COc1ccc(C(=O)N[C@H]2C=CCCC2)c([O-])c1 ZINC000158373004 387603770 /nfs/dbraw/zinc/60/37/70/387603770.db2.gz KIIUWKLOTFTJSI-JTQLQIEISA-N -1 3 247.294 2.239 20 0 BEADHM CN(Cc1cccnc1)C(=O)c1cccc([O-])c1 ZINC000035128292 387555620 /nfs/dbraw/zinc/55/56/20/387555620.db2.gz VPFVATWFVWNHHL-UHFFFAOYSA-N -1 3 242.278 2.059 20 0 BEADHM CC1(C)CC(CNC(=O)c2csc(=O)[n-]2)C1 ZINC000527469800 387571738 /nfs/dbraw/zinc/57/17/38/387571738.db2.gz WDCHDCNFHULAKP-UHFFFAOYSA-N -1 3 240.328 2.015 20 0 BEADHM C[C@H](NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000162960508 387654601 /nfs/dbraw/zinc/65/46/01/387654601.db2.gz OAXFSRCSGIVRLE-LURJTMIESA-N -1 3 231.654 2.042 20 0 BEADHM CCc1cc(C(=O)NCc2ccc[nH]2)ccc1[O-] ZINC000362861831 387665077 /nfs/dbraw/zinc/66/50/77/387665077.db2.gz GLWZUQKYYVXJLE-UHFFFAOYSA-N -1 3 244.294 2.213 20 0 BEADHM CC[C@@H](NC(=O)c1cccc(C)c1[O-])C(F)F ZINC000452243405 387778303 /nfs/dbraw/zinc/77/83/03/387778303.db2.gz HEWKKQDDJGIMIW-SECBINFHSA-N -1 3 243.253 2.474 20 0 BEADHM CC[C@H](NC(=O)c1ccccc1[O-])C(F)F ZINC000452244850 387778647 /nfs/dbraw/zinc/77/86/47/387778647.db2.gz JLLWDELQLWCULO-QMMMGPOBSA-N -1 3 229.226 2.166 20 0 BEADHM CCN(C(=O)c1ccc([O-])c(OC)c1)C1CCC1 ZINC000442673750 387821257 /nfs/dbraw/zinc/82/12/57/387821257.db2.gz VVDZAFFSLZFAOA-UHFFFAOYSA-N -1 3 249.310 2.415 20 0 BEADHM O=C([N-]c1cnoc1)c1cc(F)ccc1F ZINC000623941814 387855850 /nfs/dbraw/zinc/85/58/50/387855850.db2.gz HWTIELHZXXWJDI-UHFFFAOYSA-N -1 3 224.166 2.205 20 0 BEADHM CC/C=C\CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000452601867 387870886 /nfs/dbraw/zinc/87/08/86/387870886.db2.gz LUDGPQRODNMEIQ-ARJAWSKDSA-N -1 3 237.274 2.156 20 0 BEADHM O=C(Cc1ccncc1)Nc1ccc([O-])cc1F ZINC000085203743 388085518 /nfs/dbraw/zinc/08/55/18/388085518.db2.gz MWFXFMSSNLGPIJ-UHFFFAOYSA-N -1 3 246.241 2.108 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCCCCF)c1 ZINC000336661317 388099615 /nfs/dbraw/zinc/09/96/15/388099615.db2.gz NZIXABKTYXJEST-UHFFFAOYSA-N -1 3 225.263 2.180 20 0 BEADHM O=C([O-])CCNC1(c2ccccc2Cl)CC1 ZINC000645977010 388113247 /nfs/dbraw/zinc/11/32/47/388113247.db2.gz KFMFYYCMGODSQL-UHFFFAOYSA-N -1 3 239.702 2.393 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@H]2CC[C@H]2C)c1 ZINC000309372655 256524868 /nfs/dbraw/zinc/52/48/68/256524868.db2.gz BLKZBDOXLXAYPK-KOLCDFICSA-N -1 3 219.284 2.229 20 0 BEADHM Cc1cccc(C(=O)N[C@H]2CC[C@H]2C)c1[O-] ZINC000309433710 256525179 /nfs/dbraw/zinc/52/51/79/256525179.db2.gz MJMDYXJHLNCBAR-KCJUWKMLSA-N -1 3 219.284 2.229 20 0 BEADHM CC(C)[C@@H]1C[C@H]1CNC(=O)c1cccc([O-])c1 ZINC000456327179 388195868 /nfs/dbraw/zinc/19/58/68/388195868.db2.gz JCDIHIPHEOYENK-AAEUAGOBSA-N -1 3 233.311 2.414 20 0 BEADHM CC(C)(C(=O)NCc1ncccc1[O-])C1CCC1 ZINC000451342325 388263237 /nfs/dbraw/zinc/26/32/37/388263237.db2.gz NRFLBNZSIKVKAA-UHFFFAOYSA-N -1 3 248.326 2.230 20 0 BEADHM CC[C@H]1CCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000451345310 388264053 /nfs/dbraw/zinc/26/40/53/388264053.db2.gz ROMSBVFFJWRMMW-WDEREUQCSA-N -1 3 248.326 2.230 20 0 BEADHM CC(C)[C@@H](C)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000492398973 388343479 /nfs/dbraw/zinc/34/34/79/388343479.db2.gz MVBWYNNDHLIEOP-WYGGZMRJSA-N -1 3 248.326 2.209 20 0 BEADHM CCN(CC1CCC1)C(=O)c1ccc(O)cc1[O-] ZINC000233453760 388346828 /nfs/dbraw/zinc/34/68/28/388346828.db2.gz QUWFDNLRIOYZNR-UHFFFAOYSA-N -1 3 249.310 2.360 20 0 BEADHM C[C@@H]1C[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000235275185 388366013 /nfs/dbraw/zinc/36/60/13/388366013.db2.gz PNNKIFOLXMKSNA-LHLIQPBNSA-N -1 3 225.675 2.184 20 0 BEADHM C[C@@H]1CCC[C@H]1CNC(=O)c1ccc(O)cc1[O-] ZINC000235287369 388367054 /nfs/dbraw/zinc/36/70/54/388367054.db2.gz PXPKQNWVLWVGCC-ZJUUUORDSA-N -1 3 249.310 2.264 20 0 BEADHM C[C@]1(NCc2cccc([O-])c2Cl)CCOC1 ZINC000293370615 388388423 /nfs/dbraw/zinc/38/84/23/388388423.db2.gz VHQQWFQLSQWBHK-LBPRGKRZSA-N -1 3 241.718 2.314 20 0 BEADHM Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)ccc1[O-] ZINC000335492749 388450589 /nfs/dbraw/zinc/45/05/89/388450589.db2.gz BPIBIRWBBAIFJZ-ZSBIGDGJSA-N -1 3 231.295 2.229 20 0 BEADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(O)cc1[O-] ZINC000335470582 388450791 /nfs/dbraw/zinc/45/07/91/388450791.db2.gz SGCCTGRIBWXFGV-NXEZZACHSA-N -1 3 249.310 2.358 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CC12CC2 ZINC000649229025 388463606 /nfs/dbraw/zinc/46/36/06/388463606.db2.gz JPOARSQPITWMPW-SECBINFHSA-N -1 3 233.315 2.002 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CC1(C)C ZINC000649230663 388463841 /nfs/dbraw/zinc/46/38/41/388463841.db2.gz RTYCEJQEOZQZPP-SECBINFHSA-N -1 3 235.331 2.248 20 0 BEADHM CC/C=C/C[N-]S(=O)(=O)c1ccccc1F ZINC000295527897 388412064 /nfs/dbraw/zinc/41/20/64/388412064.db2.gz QAOKBDCDJPRORI-ZZXKWVIFSA-N -1 3 243.303 2.070 20 0 BEADHM CC/C=C/CNC(=O)c1cc(OC)ccc1[O-] ZINC000295521096 388412429 /nfs/dbraw/zinc/41/24/29/388412429.db2.gz DXRHTZSORAVQIS-SNAWJCMRSA-N -1 3 235.283 2.097 20 0 BEADHM CC[C@@H]1CCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000166409958 388426391 /nfs/dbraw/zinc/42/63/91/388426391.db2.gz CTYQTAJBCNFXIQ-SECBINFHSA-N -1 3 223.272 2.210 20 0 BEADHM O=C(CC1CC1)[N-]OCc1ccccc1 ZINC000070284186 388436039 /nfs/dbraw/zinc/43/60/39/388436039.db2.gz XMJUGAVJQOZUMI-UHFFFAOYSA-N -1 3 205.257 2.035 20 0 BEADHM CC[C@@H](O)CC(=O)Nc1c([O-])cccc1Cl ZINC000517245335 388545549 /nfs/dbraw/zinc/54/55/49/388545549.db2.gz RAUMEBXBQJZAEI-SSDOTTSWSA-N -1 3 243.690 2.145 20 0 BEADHM CC(C)(CO)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000548585625 388547295 /nfs/dbraw/zinc/54/72/95/388547295.db2.gz LBRDIRKRMGZHEO-UHFFFAOYSA-N -1 3 243.690 2.003 20 0 BEADHM Cc1cccc(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC000397811751 388501942 /nfs/dbraw/zinc/50/19/42/388501942.db2.gz CXLMWXKXPHGKHB-JGPRNRPPSA-N -1 3 231.295 2.229 20 0 BEADHM C[C@H]1CC[C@H](C(=O)NCc2ncccc2[O-])CC1 ZINC000516931595 388526607 /nfs/dbraw/zinc/52/66/07/388526607.db2.gz GVNARMMRPDFALP-XYPYZODXSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@@H](CNC(=O)c1cccc([O-])c1)CC(F)F ZINC000648963990 388605123 /nfs/dbraw/zinc/60/51/23/388605123.db2.gz IADQFJNXKNDGLV-MRVPVSSYSA-N -1 3 243.253 2.413 20 0 BEADHM O=C(/C=C/c1ccc[nH]1)Nc1ccccc1[O-] ZINC000187397646 388608685 /nfs/dbraw/zinc/60/86/85/388608685.db2.gz OMRGYVASOORUEN-BQYQJAHWSA-N -1 3 228.251 2.372 20 0 BEADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](C)C1 ZINC000217985255 388574648 /nfs/dbraw/zinc/57/46/48/388574648.db2.gz GQKNYKFMVWIRTO-RKDXNWHRSA-N -1 3 223.272 2.381 20 0 BEADHM CC1(CN2CCc3occc3[C@@H]2C(=O)[O-])CCC1 ZINC000530164956 388618413 /nfs/dbraw/zinc/61/84/13/388618413.db2.gz CJVXFHJQAPFBLX-GFCCVEGCSA-N -1 3 249.310 2.454 20 0 BEADHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C/C=C\Cl ZINC000530177031 388622095 /nfs/dbraw/zinc/62/20/95/388622095.db2.gz WDJHCGOFXATWTO-UREXNXCXSA-N -1 3 231.723 2.313 20 0 BEADHM CC(C)[C@H](CO)NCc1cccc([O-])c1Cl ZINC000328444449 388643978 /nfs/dbraw/zinc/64/39/78/388643978.db2.gz IBHIQTQGPDRINB-JTQLQIEISA-N -1 3 243.734 2.152 20 0 BEADHM CC[C@@H]1C[C@H]1NC(=O)c1cc(C)ccc1[O-] ZINC000227034576 388737971 /nfs/dbraw/zinc/73/79/71/388737971.db2.gz UHGFMQPIQXHFFO-MWLCHTKSSA-N -1 3 219.284 2.229 20 0 BEADHM CN(C(=O)Cc1cncc([O-])c1)C1CCCCC1 ZINC000552811875 388738079 /nfs/dbraw/zinc/73/80/79/388738079.db2.gz XISJSQRWNZWYPW-UHFFFAOYSA-N -1 3 248.326 2.121 20 0 BEADHM CSCC(=O)Nc1c([O-])cccc1Cl ZINC000552434131 388708595 /nfs/dbraw/zinc/70/85/95/388708595.db2.gz CNDQNHYYODTTLX-UHFFFAOYSA-N -1 3 231.704 2.347 20 0 BEADHM C[C@H]1COCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000195442484 388709276 /nfs/dbraw/zinc/70/92/76/388709276.db2.gz XKPXWELCFFGQLE-VHSXEESVSA-N -1 3 235.283 2.003 20 0 BEADHM COc1ccc(C(=O)NC(C)(C)C2CC2)c([O-])c1 ZINC000227507745 388767743 /nfs/dbraw/zinc/76/77/43/388767743.db2.gz IEQHMWBLKPEVOA-UHFFFAOYSA-N -1 3 249.310 2.319 20 0 BEADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCS1 ZINC000129172281 388822975 /nfs/dbraw/zinc/82/29/75/388822975.db2.gz ITQXGOUKMMENKA-SECBINFHSA-N -1 3 241.287 2.365 20 0 BEADHM c1csc([N-]c2ncnc3ncccc23)n1 ZINC000163076579 388852416 /nfs/dbraw/zinc/85/24/16/388852416.db2.gz VKQAZJKQUVIQSU-UHFFFAOYSA-N -1 3 229.268 2.225 20 0 BEADHM Cc1ccc(C(=O)N[C@@H](C)C(F)(F)F)c([O-])c1 ZINC000290209752 388877791 /nfs/dbraw/zinc/87/77/91/388877791.db2.gz VNCAUWMNISWMGC-ZETCQYMHSA-N -1 3 247.216 2.381 20 0 BEADHM CCCc1csc(CNCCCC(=O)[O-])n1 ZINC000564970057 388904479 /nfs/dbraw/zinc/90/44/79/388904479.db2.gz DPAZINGWYPEQDD-UHFFFAOYSA-N -1 3 242.344 2.050 20 0 BEADHM O=C(c1ccccc1[O-])N1CCC=C(F)C1 ZINC000272163295 389029389 /nfs/dbraw/zinc/02/93/89/389029389.db2.gz XPONECWEBISJDN-UHFFFAOYSA-N -1 3 221.231 2.092 20 0 BEADHM COc1cccc(/C=C/C(=O)[N-]OC2CCC2)c1 ZINC000493145425 533385850 /nfs/dbraw/zinc/38/58/50/533385850.db2.gz BAVATDKZJQLPEZ-CMDGGOBGSA-N -1 3 247.294 2.309 20 0 BEADHM Cc1co[nH]c1=NCc1c(F)ccc([O-])c1F ZINC000336025301 134056804 /nfs/dbraw/zinc/05/68/04/134056804.db2.gz DTOCLABOECTFOE-UHFFFAOYSA-N -1 3 240.209 2.001 20 0 BEADHM C[C@]1(F)CCN(Cc2cc([O-])cc(F)c2)C1 ZINC000336068191 134071082 /nfs/dbraw/zinc/07/10/82/134071082.db2.gz FATTWUFHNUPOIB-LBPRGKRZSA-N -1 3 227.254 2.465 20 0 BEADHM Cc1cccc(C(=O)N(C)Cc2ccc[nH]2)c1[O-] ZINC000336144027 134101368 /nfs/dbraw/zinc/10/13/68/134101368.db2.gz BTCNNBZJEJZJLA-UHFFFAOYSA-N -1 3 244.294 2.301 20 0 BEADHM C[C@@H]1C[C@@H](C)N1C(=O)c1ccccc1[O-] ZINC000336157516 134106506 /nfs/dbraw/zinc/10/65/06/134106506.db2.gz AZTVDKWYBOTTBO-RKDXNWHRSA-N -1 3 205.257 2.015 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CC=CCC1 ZINC000336209108 134133767 /nfs/dbraw/zinc/13/37/67/134133767.db2.gz MNWLJYWAWWFRSD-LLVKDONJSA-N -1 3 249.285 2.299 20 0 BEADHM CC1(C(=O)Nc2ccccc2[O-])CCC(=O)CC1 ZINC000336216992 134137334 /nfs/dbraw/zinc/13/73/34/134137334.db2.gz UELUORATEUSWHZ-UHFFFAOYSA-N -1 3 247.294 2.480 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCC2(C)CC2)c1 ZINC000223638773 134341113 /nfs/dbraw/zinc/34/11/13/134341113.db2.gz CDFKGSLSNRIRKA-UHFFFAOYSA-N -1 3 219.284 2.231 20 0 BEADHM Cc1n[nH]c(C)c1NC(=O)c1ccc([O-])c(C)c1 ZINC000226955051 134371127 /nfs/dbraw/zinc/37/11/27/134371127.db2.gz AYCRIBBFGGZIFI-UHFFFAOYSA-N -1 3 245.282 2.293 20 0 BEADHM CC[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000227613740 134388457 /nfs/dbraw/zinc/38/84/57/134388457.db2.gz WLTQLLBBEUQJKV-SECBINFHSA-N -1 3 235.283 2.112 20 0 BEADHM CC1(C)C[C@@H]1CNC(=O)c1cccc([O-])c1 ZINC000227614924 134388907 /nfs/dbraw/zinc/38/89/07/134388907.db2.gz MKMUOEWHYGBDJN-SNVBAGLBSA-N -1 3 219.284 2.168 20 0 BEADHM CCc1c(C)sc2[n-]c(COC)nc(=O)c12 ZINC000053843418 134752725 /nfs/dbraw/zinc/75/27/25/134752725.db2.gz LVFZONJRQVVYPX-UHFFFAOYSA-N -1 3 238.312 2.002 20 0 BEADHM C[C@H](CC(=O)[O-])NCc1cc(Cl)ccc1F ZINC000260046492 135147187 /nfs/dbraw/zinc/14/71/87/135147187.db2.gz MIDHGCVYRNWVAL-SSDOTTSWSA-N -1 3 245.681 2.432 20 0 BEADHM Cc1nc(C)c(CN(C)CCCC(=O)[O-])s1 ZINC000084149087 135187551 /nfs/dbraw/zinc/18/75/51/135187551.db2.gz JKMWZIGTNYRTHU-UHFFFAOYSA-N -1 3 242.344 2.057 20 0 BEADHM Cc1cccc(CN(CC(=O)[O-])C(C)C)c1F ZINC000263326117 135347770 /nfs/dbraw/zinc/34/77/70/135347770.db2.gz KLDDVPNCYDBMRM-UHFFFAOYSA-N -1 3 239.290 2.429 20 0 BEADHM Cc1coc(C)c1C(=O)Nc1ncccc1[O-] ZINC000334346286 135366304 /nfs/dbraw/zinc/36/63/04/135366304.db2.gz VSTMCYGUGRNQED-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM O=C(Nc1ccccc1[O-])[C@@H]1CCSC1 ZINC000334357963 135370439 /nfs/dbraw/zinc/37/04/39/135370439.db2.gz RJICZEZVHMTNGW-MRVPVSSYSA-N -1 3 223.297 2.084 20 0 BEADHM Cc1cccc(C(=O)NC(C)(C)CF)c1[O-] ZINC000334406355 135394182 /nfs/dbraw/zinc/39/41/82/135394182.db2.gz HTSJEEFUDGCXFC-UHFFFAOYSA-N -1 3 225.263 2.179 20 0 BEADHM C[C@@H](NCc1ncccc1[O-])c1ccccn1 ZINC000347968121 136017521 /nfs/dbraw/zinc/01/75/21/136017521.db2.gz UCJLUZQHIRGQDA-SNVBAGLBSA-N -1 3 229.283 2.033 20 0 BEADHM COc1cccc(CNCc2ncccc2[O-])c1 ZINC000347945767 136019309 /nfs/dbraw/zinc/01/93/09/136019309.db2.gz DEPMMERMPPMDNQ-UHFFFAOYSA-N -1 3 244.294 2.086 20 0 BEADHM CC[C@@H]([N-]C(=O)CC(F)(F)F)C(F)(F)F ZINC000348070960 136033638 /nfs/dbraw/zinc/03/36/38/136033638.db2.gz KUWKKLUXHOBQOB-SCSAIBSYSA-N -1 3 237.143 2.396 20 0 BEADHM [O-]c1cc(F)cc(CN[C@H]2C[C@H]2C(F)F)c1 ZINC000348214457 136046343 /nfs/dbraw/zinc/04/63/43/136046343.db2.gz COKIJEITILRZPK-ZJUUUORDSA-N -1 3 231.217 2.275 20 0 BEADHM O=C(c1ccccc1[O-])N1CC(CC(F)F)C1 ZINC000335384840 136088477 /nfs/dbraw/zinc/08/84/77/136088477.db2.gz OYVZRWTUQUCSJB-UHFFFAOYSA-N -1 3 241.237 2.119 20 0 BEADHM CC[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC000054475094 322856437 /nfs/dbraw/zinc/85/64/37/322856437.db2.gz OAFKXWHDZMAJDS-SECBINFHSA-N -1 3 207.273 2.168 20 0 BEADHM CCC1(CNC(=O)/C=C/c2cncc([O-])c2)CC1 ZINC000182083633 397852141 /nfs/dbraw/zinc/85/21/41/397852141.db2.gz IFEIPPXPAJGNMY-ONEGZZNKSA-N -1 3 246.310 2.107 20 0 BEADHM CCO[N-]C(=O)/C=C\Sc1ccccc1 ZINC000491302740 398037911 /nfs/dbraw/zinc/03/79/11/398037911.db2.gz CTOJORTVMYFVOH-HJWRWDBZSA-N -1 3 223.297 2.360 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2C2CC2)n1 ZINC000361331136 397976711 /nfs/dbraw/zinc/97/67/11/397976711.db2.gz MKJMOIMRWMQXNW-LBPRGKRZSA-N -1 3 247.342 2.119 20 0 BEADHM CO[C@H]1CCN(C(=O)c2cccc([O-])c2)[C@H](C)C1 ZINC000281760795 398064104 /nfs/dbraw/zinc/06/41/04/398064104.db2.gz LKFMIVJGEBPQSG-MFKMUULPSA-N -1 3 249.310 2.032 20 0 BEADHM CO[C@H]1CCN(C(=O)c2cccc([O-])c2)[C@@H](C)C1 ZINC000281760790 398064144 /nfs/dbraw/zinc/06/41/44/398064144.db2.gz LKFMIVJGEBPQSG-GWCFXTLKSA-N -1 3 249.310 2.032 20 0 BEADHM CC(C)=CCSc1nc2nncc-2c(O)[n-]1 ZINC000288677333 398083922 /nfs/dbraw/zinc/08/39/22/398083922.db2.gz SKFWGBFTPTXXSJ-UHFFFAOYSA-N -1 3 236.300 2.117 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)C1Cc2ccccc2C1 ZINC000292094587 398101120 /nfs/dbraw/zinc/10/11/20/398101120.db2.gz FTZIONZRSROVRH-LLVKDONJSA-N -1 3 247.338 2.495 20 0 BEADHM CCCN(C)Cc1cc(C(=O)[O-])ccc1F ZINC000062751064 1172777736 /nfs/dbraw/zinc/77/77/36/1172777736.db2.gz CVEQLMZPTFQDCJ-UHFFFAOYSA-N -1 3 225.263 2.366 20 0 BEADHM CCc1cccc(C(=O)NCC2CC2)c1[O-] ZINC000530639958 322888265 /nfs/dbraw/zinc/88/82/65/322888265.db2.gz XUCASFHUSSAVAW-UHFFFAOYSA-N -1 3 219.284 2.094 20 0 BEADHM O=C(c1cc([O-])ccc1Cl)N1CC(F)(F)C1 ZINC000685819554 487581148 /nfs/dbraw/zinc/58/11/48/487581148.db2.gz NEPNTDLUEXADPV-UHFFFAOYSA-N -1 3 247.628 2.137 20 0 BEADHM CC(C)(C)CC(=O)Nc1cccc2n[n-]nc21 ZINC000074852861 487585004 /nfs/dbraw/zinc/58/50/04/487585004.db2.gz ZWCFQSUZRSPMHO-UHFFFAOYSA-N -1 3 232.287 2.333 20 0 BEADHM CC(C)ON=C([O-])Nc1cc(C(C)C)on1 ZINC000296853379 167277553 /nfs/dbraw/zinc/27/75/53/167277553.db2.gz LDCBWRDSVVAZFJ-UHFFFAOYSA-N -1 3 227.264 2.260 20 0 BEADHM CC(C)O[N-]C(=O)Nc1cc(C(C)C)on1 ZINC000296853379 167277555 /nfs/dbraw/zinc/27/75/55/167277555.db2.gz LDCBWRDSVVAZFJ-UHFFFAOYSA-N -1 3 227.264 2.260 20 0 BEADHM CC1(NC(=O)Cc2ccc([O-])c(F)c2)CC=CC1 ZINC000655227392 409640876 /nfs/dbraw/zinc/64/08/76/409640876.db2.gz PHBRQSKLSUFVRP-UHFFFAOYSA-N -1 3 249.285 2.299 20 0 BEADHM CCC(C)(C)CCN(C)Cc1n[n-]c(=O)o1 ZINC000660843917 409838270 /nfs/dbraw/zinc/83/82/70/409838270.db2.gz JDJBJQVOHJKEEQ-UHFFFAOYSA-N -1 3 227.308 2.033 20 0 BEADHM CCc1coc([N-]C(=O)c2conc2C2CC2)n1 ZINC000556806329 322925594 /nfs/dbraw/zinc/92/55/94/322925594.db2.gz TUZPBFGVSXJBSL-UHFFFAOYSA-N -1 3 247.254 2.355 20 0 BEADHM CN(Cc1occc1C(=O)[O-])C[C@H]1CC1(C)C ZINC000663316772 410109002 /nfs/dbraw/zinc/10/90/02/410109002.db2.gz HDGPCTRSYUDBRO-SECBINFHSA-N -1 3 237.299 2.456 20 0 BEADHM CC(C)ON=C([O-])Nc1cn(C)nc1C(C)C ZINC000296971008 167275904 /nfs/dbraw/zinc/27/59/04/167275904.db2.gz DIMPHJHWXNGSCG-UHFFFAOYSA-N -1 3 240.307 2.005 20 0 BEADHM CC(C)O[N-]C(=O)Nc1cn(C)nc1C(C)C ZINC000296971008 167275908 /nfs/dbraw/zinc/27/59/08/167275908.db2.gz DIMPHJHWXNGSCG-UHFFFAOYSA-N -1 3 240.307 2.005 20 0 BEADHM CC(C)O[N-]C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000295555400 167278851 /nfs/dbraw/zinc/27/88/51/167278851.db2.gz METHFDOGCDQGBG-RYUDHWBXSA-N -1 3 237.274 2.385 20 0 BEADHM CC(C)O[N-]C(=O)c1c(Cl)cncc1Cl ZINC000297180304 167279002 /nfs/dbraw/zinc/27/90/02/167279002.db2.gz KYLPDOLUGWOSTF-UHFFFAOYSA-N -1 3 249.097 2.458 20 0 BEADHM CC(C)O[N-]C(=O)c1ccc(F)c(F)c1F ZINC000293840022 167279361 /nfs/dbraw/zinc/27/93/61/167279361.db2.gz BVQBZDKOCGCIPY-UHFFFAOYSA-N -1 3 233.189 2.174 20 0 BEADHM Cc1ccc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)nc1 ZINC000397493797 410924790 /nfs/dbraw/zinc/92/47/90/410924790.db2.gz NTBPBNGOJDKFAP-NEPJUHHUSA-N -1 3 248.326 2.075 20 0 BEADHM CC[C@H](C)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000087223935 487619784 /nfs/dbraw/zinc/61/97/84/487619784.db2.gz KHRNIOAOSQYBGJ-VIFPVBQESA-N -1 3 222.288 2.010 20 0 BEADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000651705046 411137458 /nfs/dbraw/zinc/13/74/58/411137458.db2.gz FVAUQYRNKVKMGN-OUAUKWLOSA-N -1 3 244.294 2.328 20 0 BEADHM C/C=C\CNCc1ccc(C(=O)[O-])cc1 ZINC000045009614 411143082 /nfs/dbraw/zinc/14/30/82/411143082.db2.gz HBLZFUWUPTWPIF-IHWYPQMZSA-N -1 3 205.257 2.051 20 0 BEADHM CC(C)[C@@H](CN[C@H](C)c1ccccn1)C(=O)[O-] ZINC000656098782 411178343 /nfs/dbraw/zinc/17/83/43/411178343.db2.gz KUXDHVOCQRIBRR-GHMZBOCLSA-N -1 3 236.315 2.089 20 0 BEADHM CC(C)CO[C@H](C)C(=O)Nc1ccccc1[O-] ZINC000049137018 411226585 /nfs/dbraw/zinc/22/65/85/411226585.db2.gz QSLCYCGHMAVDDP-SNVBAGLBSA-N -1 3 237.299 2.392 20 0 BEADHM O=C(NC1(C2CCC2)CC1)c1cccc([O-])c1 ZINC000652869433 411233747 /nfs/dbraw/zinc/23/37/47/411233747.db2.gz NEGDCBUVHDLJLA-UHFFFAOYSA-N -1 3 231.295 2.455 20 0 BEADHM CC(F)(F)CCNC(=O)c1cccc([O-])c1 ZINC000357773915 167816837 /nfs/dbraw/zinc/81/68/37/167816837.db2.gz RYOQIINCKFWLMZ-UHFFFAOYSA-N -1 3 229.226 2.167 20 0 BEADHM O=C([O-])CCC1CCN(Cc2cccnc2)CC1 ZINC000050926139 411268163 /nfs/dbraw/zinc/26/81/63/411268163.db2.gz JQUDBABIKYYPAG-UHFFFAOYSA-N -1 3 248.326 2.158 20 0 BEADHM O=C([O-])c1cc(F)ccc1CN1CC[C@H]2C[C@H]2C1 ZINC000659800329 411290562 /nfs/dbraw/zinc/29/05/62/411290562.db2.gz RHBUUBZITMQOIT-ONGXEEELSA-N -1 3 249.285 2.366 20 0 BEADHM O=C([O-])C[C@@H]1CCCCN1CCC(F)(F)F ZINC000070914590 411299012 /nfs/dbraw/zinc/29/90/12/411299012.db2.gz NFNLBGQNWMEJGR-QMMMGPOBSA-N -1 3 239.237 2.268 20 0 BEADHM COc1cccc(C(=O)NC2(C)CC=CC2)c1[O-] ZINC000654006161 411310989 /nfs/dbraw/zinc/31/09/89/411310989.db2.gz JWFYXFQXMSDPGE-UHFFFAOYSA-N -1 3 247.294 2.239 20 0 BEADHM Cc1ccnc(CN2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC000652483007 411255043 /nfs/dbraw/zinc/25/50/43/411255043.db2.gz YFTRJQVJWRVECN-CQSZACIVSA-N -1 3 248.326 2.077 20 0 BEADHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(O)cc1[O-] ZINC000403669282 411352368 /nfs/dbraw/zinc/35/23/68/411352368.db2.gz USYWFJKUEBSBSZ-LPEHRKFASA-N -1 3 247.294 2.016 20 0 BEADHM Cc1ccc(F)c(CN2CC3CC2(C(=O)[O-])C3)c1 ZINC000656761233 411345195 /nfs/dbraw/zinc/34/51/95/411345195.db2.gz PQJYEBBHPPAIDU-UHFFFAOYSA-N -1 3 249.285 2.183 20 0 BEADHM CC1(NC(=O)c2cccc([O-])c2)CCCC1 ZINC000084235189 168061034 /nfs/dbraw/zinc/06/10/34/168061034.db2.gz WOVPSLSAIMSITJ-UHFFFAOYSA-N -1 3 219.284 2.455 20 0 BEADHM CC1([N-]S(=O)(=O)c2cccs2)CCCC1 ZINC000049239969 168064026 /nfs/dbraw/zinc/06/40/26/168064026.db2.gz DQOFFTRNLHDABV-UHFFFAOYSA-N -1 3 245.369 2.359 20 0 BEADHM CC1=C(C)CN(C(=O)c2c([O-])cccc2O)CC1 ZINC000280176852 168082589 /nfs/dbraw/zinc/08/25/89/168082589.db2.gz GOWQEBXYZGSRRV-UHFFFAOYSA-N -1 3 247.294 2.280 20 0 BEADHM Cc1[n-]n([C@@H](C)C2CC2)c(=O)c1C(C)C ZINC000104094636 168134054 /nfs/dbraw/zinc/13/40/54/168134054.db2.gz ADTRQLNHDWDWCR-GXSJLCMTSA-N -1 3 208.305 2.275 20 0 BEADHM CC1CCC(CC(=O)Nc2ccncc2[O-])CC1 ZINC000358364753 168151714 /nfs/dbraw/zinc/15/17/14/168151714.db2.gz ZGZZVJJOPFRMGN-UHFFFAOYSA-N -1 3 248.326 2.364 20 0 BEADHM CCC(C)(C)C(=O)[N-]OC/C=C/Cl ZINC000291937233 168266950 /nfs/dbraw/zinc/26/69/50/168266950.db2.gz VPNBWFDKINLNRS-AATRIKPKSA-N -1 3 205.685 2.223 20 0 BEADHM CCC(C)(C)NC(=O)c1cccc([O-])c1 ZINC000019836951 168297231 /nfs/dbraw/zinc/29/72/31/168297231.db2.gz MLTRLZFWCMYHBL-UHFFFAOYSA-N -1 3 207.273 2.311 20 0 BEADHM CC[C@@H](C)CC[N-]S(=O)(=O)c1cccs1 ZINC000657081766 411401838 /nfs/dbraw/zinc/40/18/38/411401838.db2.gz IIYFPNUZIZSSES-SECBINFHSA-N -1 3 247.385 2.463 20 0 BEADHM CC[C@@](C)([N-]S(=O)(=O)c1ccco1)C1CC1 ZINC000657178507 411415932 /nfs/dbraw/zinc/41/59/32/411415932.db2.gz MVSGSCGMZNLKEI-LLVKDONJSA-N -1 3 243.328 2.137 20 0 BEADHM CCOC1CC(C(=O)Nc2c(C)cccc2[O-])C1 ZINC000291487493 170322282 /nfs/dbraw/zinc/32/22/82/170322282.db2.gz AWRNSZDTPVUMDX-UHFFFAOYSA-N -1 3 249.310 2.454 20 0 BEADHM [O-]c1cccc(CNCCOCCF)c1Cl ZINC000663339497 411629879 /nfs/dbraw/zinc/62/98/79/411629879.db2.gz WPWMUNLBEGICTJ-UHFFFAOYSA-N -1 3 247.697 2.121 20 0 BEADHM CCO[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000042425317 170505359 /nfs/dbraw/zinc/50/53/59/170505359.db2.gz JBWCGKVHAKWHDJ-ZDUSSCGKSA-N -1 3 249.310 2.033 20 0 BEADHM CN(CCCC(C)(C)C)Cc1n[n-]c(=O)o1 ZINC000660843068 411654213 /nfs/dbraw/zinc/65/42/13/411654213.db2.gz TWYNSYWGJXMSSS-UHFFFAOYSA-N -1 3 227.308 2.033 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc(C)nc1 ZINC000293681547 170711485 /nfs/dbraw/zinc/71/14/85/170711485.db2.gz JJHSGFOKUQEMOX-SNVBAGLBSA-N -1 3 236.315 2.026 20 0 BEADHM CC[C@@H](C)[C@@H](C)C(=O)NCc1ncccc1[O-] ZINC000331024233 170769992 /nfs/dbraw/zinc/76/99/92/170769992.db2.gz SGNSOPYVQCBCMV-NXEZZACHSA-N -1 3 236.315 2.086 20 0 BEADHM CC[C@@](C)(OC)C(=O)[N-]c1onc(C)c1C ZINC000281375545 171192034 /nfs/dbraw/zinc/19/20/34/171192034.db2.gz FBMZYWGYJDCZCG-LLVKDONJSA-N -1 3 226.276 2.045 20 0 BEADHM CC[C@H](C)CN(C)C(=O)c1ccc(O)cc1[O-] ZINC000225731422 171271763 /nfs/dbraw/zinc/27/17/63/171271763.db2.gz MBQLNXKQTHWKPD-VIFPVBQESA-N -1 3 237.299 2.216 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)Nc1ccncc1C ZINC000297901677 171290448 /nfs/dbraw/zinc/29/04/48/171290448.db2.gz XOIGXRCVYQTYBX-VIFPVBQESA-N -1 3 237.303 2.489 20 0 BEADHM CC[C@H](C)[C@@H](C)C(=O)Nc1nnc(SC)[n-]1 ZINC000272467178 171360688 /nfs/dbraw/zinc/36/06/88/171360688.db2.gz DEUAEDZSDHLGHQ-NKWVEPMBSA-N -1 3 242.348 2.147 20 0 BEADHM CC[C@H](C)[C@@H](C)C(=O)Nc1nc(SC)n[n-]1 ZINC000272467178 171360690 /nfs/dbraw/zinc/36/06/90/171360690.db2.gz DEUAEDZSDHLGHQ-NKWVEPMBSA-N -1 3 242.348 2.147 20 0 BEADHM CC[C@H](C)[C@@H](C)C(=O)Nc1n[n-]c(SC)n1 ZINC000272467178 171360692 /nfs/dbraw/zinc/36/06/92/171360692.db2.gz DEUAEDZSDHLGHQ-NKWVEPMBSA-N -1 3 242.348 2.147 20 0 BEADHM CC[C@H]1CCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000125662654 171614715 /nfs/dbraw/zinc/61/47/15/171614715.db2.gz QCHKCRPGBLOSNL-JTQLQIEISA-N -1 3 249.310 2.360 20 0 BEADHM [O-]c1cc(Cl)cc(CNC(CF)CF)c1 ZINC000894668425 583503403 /nfs/dbraw/zinc/50/34/03/583503403.db2.gz VERDCLZPLHFBSD-UHFFFAOYSA-N -1 3 235.661 2.443 20 0 BEADHM CCCn1nccc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000663229029 412395404 /nfs/dbraw/zinc/39/54/04/412395404.db2.gz SHJBWGMAWMYTLF-PLNGDYQASA-N -1 3 244.298 2.268 20 0 BEADHM COC1([C@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC000332437503 174010198 /nfs/dbraw/zinc/01/01/98/174010198.db2.gz CUKIFPUWJAICLP-JTQLQIEISA-N -1 3 249.310 2.080 20 0 BEADHM COCC(C)(C)C(=O)Nc1cc(F)ccc1[O-] ZINC000132576400 174066372 /nfs/dbraw/zinc/06/63/72/174066372.db2.gz LVCNNWPSFDRBCM-UHFFFAOYSA-N -1 3 241.262 2.142 20 0 BEADHM COCC(C)(C)C(=O)Nc1ccccc1[O-] ZINC000129266917 174068301 /nfs/dbraw/zinc/06/83/01/174068301.db2.gz GACGTAJNFSLTMB-UHFFFAOYSA-N -1 3 223.272 2.003 20 0 BEADHM COc1ccc(-c2cncc([O-])c2)c(OC)c1 ZINC000065339343 175036967 /nfs/dbraw/zinc/03/69/67/175036967.db2.gz RQXKPKBBUAFKPK-UHFFFAOYSA-N -1 3 231.251 2.471 20 0 BEADHM COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C)c([O-])c1 ZINC000071209704 175062560 /nfs/dbraw/zinc/06/25/60/175062560.db2.gz TWRBREIWODVAMR-JOYOIKCWSA-N -1 3 249.310 2.319 20 0 BEADHM COc1ccc(C(=O)N[C@H]2CCC[C@H]2C)c([O-])c1 ZINC000071209701 175063917 /nfs/dbraw/zinc/06/39/17/175063917.db2.gz TWRBREIWODVAMR-SKDRFNHKSA-N -1 3 249.310 2.319 20 0 BEADHM COc1ccc(F)cc1[C@H](C)[N-]C(=O)C(F)F ZINC000234853115 175133798 /nfs/dbraw/zinc/13/37/98/175133798.db2.gz KQBLPEQDZOWQRK-LURJTMIESA-N -1 3 247.216 2.277 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@H]2CC=CCC2)c1 ZINC000080110238 175157517 /nfs/dbraw/zinc/15/75/17/175157517.db2.gz FVXQDHKQTDQYNY-JTQLQIEISA-N -1 3 247.294 2.239 20 0 BEADHM COc1ccc([O-])c(C(=O)Nc2ccncc2)c1 ZINC000051770599 175158215 /nfs/dbraw/zinc/15/82/15/175158215.db2.gz GJJXATTZBHIKIH-UHFFFAOYSA-N -1 3 244.250 2.048 20 0 BEADHM COc1cccc(C(=O)N2C[C@H](C)[C@H](C)C2)c1[O-] ZINC000091439007 175243356 /nfs/dbraw/zinc/24/33/56/175243356.db2.gz AWDPBMLRJZALOU-AOOOYVTPSA-N -1 3 249.310 2.129 20 0 BEADHM COc1ccccc1CC(=O)[N-]OC1CCCC1 ZINC000074581451 175321675 /nfs/dbraw/zinc/32/16/75/175321675.db2.gz BTRCSUYHUGOSQH-UHFFFAOYSA-N -1 3 249.310 2.228 20 0 BEADHM C[C@@H]1CCCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000186435221 176064763 /nfs/dbraw/zinc/06/47/63/176064763.db2.gz BOQSHIQRDWMMAZ-SNVBAGLBSA-N -1 3 249.310 2.360 20 0 BEADHM C[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000019837041 176068858 /nfs/dbraw/zinc/06/88/58/176068858.db2.gz HQNWERLOTKVHFM-SNVBAGLBSA-N -1 3 219.284 2.407 20 0 BEADHM C[C@@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000019837045 176068978 /nfs/dbraw/zinc/06/89/78/176068978.db2.gz CBBKAAOMFPEMHY-SNVBAGLBSA-N -1 3 219.284 2.407 20 0 BEADHM C[C@@H]1CCC[C@@H]1CC(=O)[N-]OCc1cccnc1 ZINC000184775327 176126775 /nfs/dbraw/zinc/12/67/75/176126775.db2.gz HDWZYYMBUYPMOO-DGCLKSJQSA-N -1 3 248.326 2.456 20 0 BEADHM C[C@@H]1CCC[C@@H]1NC(=O)c1c([O-])cccc1O ZINC000220467933 176130421 /nfs/dbraw/zinc/13/04/21/176130421.db2.gz PVIKXQCMGTXAFM-BDAKNGLRSA-N -1 3 235.283 2.016 20 0 BEADHM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000105384439 176131265 /nfs/dbraw/zinc/13/12/65/176131265.db2.gz INSLANYOABKOSJ-KCJUWKMLSA-N -1 3 235.283 2.016 20 0 BEADHM C[C@@H]1CCC[C@]1(C)C(=O)NCc1ncccc1[O-] ZINC000336272835 176152106 /nfs/dbraw/zinc/15/21/06/176152106.db2.gz DDTAFXDBHQRUCH-YGRLFVJLSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@@H]1COc2ccccc2CN1CCCC(=O)[O-] ZINC000262299052 176348136 /nfs/dbraw/zinc/34/81/36/176348136.db2.gz ZFZVHOVNDMYMRL-LLVKDONJSA-N -1 3 249.310 2.134 20 0 BEADHM C[C@@H]1C[C@H](C(=O)Nc2ccccc2[O-])CCC1=O ZINC000336473141 176411850 /nfs/dbraw/zinc/41/18/50/176411850.db2.gz BSWOVMXFVKYIMD-NXEZZACHSA-N -1 3 247.294 2.336 20 0 BEADHM C[C@H](c1ccccc1Cl)N(C)CC(=O)[O-] ZINC000062015176 177041510 /nfs/dbraw/zinc/04/15/10/177041510.db2.gz CZIMHWTUXGOSQR-MRVPVSSYSA-N -1 3 227.691 2.417 20 0 BEADHM C[C@H]1CCN(C(=O)c2c([O-])cccc2O)C[C@H]1C ZINC000092127056 177152965 /nfs/dbraw/zinc/15/29/65/177152965.db2.gz HLIKMYXSGYVYSW-VHSXEESVSA-N -1 3 249.310 2.216 20 0 BEADHM C[C@H]1CN(C(=O)c2c([O-])cccc2O)CC[C@@H]1C ZINC000092127054 177153187 /nfs/dbraw/zinc/15/31/87/177153187.db2.gz HLIKMYXSGYVYSW-UWVGGRQHSA-N -1 3 249.310 2.216 20 0 BEADHM C[C@@H]1C[C@@H](C)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000120371970 177153934 /nfs/dbraw/zinc/15/39/34/177153934.db2.gz YOIHGNKGDLPCJE-VHSXEESVSA-N -1 3 249.310 2.358 20 0 BEADHM C[C@H]1CN(Cc2cc([O-])cc(F)c2)[C@@H](C)CO1 ZINC000223753492 177261027 /nfs/dbraw/zinc/26/10/27/177261027.db2.gz NHJXGDTVTDTMBL-UWVGGRQHSA-N -1 3 239.290 2.141 20 0 BEADHM C[C@H]1C[C@H](C(=O)Nc2ccncc2[O-])C[C@@H](C)C1 ZINC000356556750 177317003 /nfs/dbraw/zinc/31/70/03/177317003.db2.gz YNJGKMKBLKQWOK-URLYPYJESA-N -1 3 248.326 2.220 20 0 BEADHM C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@@H](C)C1 ZINC000120372129 177354978 /nfs/dbraw/zinc/35/49/78/177354978.db2.gz YOIHGNKGDLPCJE-ZJUUUORDSA-N -1 3 249.310 2.358 20 0 BEADHM C[C@H]1C[C@H](C)CN(C(=O)c2c([O-])cccc2O)C1 ZINC000125569363 177358052 /nfs/dbraw/zinc/35/80/52/177358052.db2.gz GXTJCQZZQCTEHZ-UWVGGRQHSA-N -1 3 249.310 2.216 20 0 BEADHM C[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000098018459 177377099 /nfs/dbraw/zinc/37/70/99/177377099.db2.gz YBNQGHZSPUKBSW-POYBYMJQSA-N -1 3 209.220 2.126 20 0 BEADHM Cc1cccnc1/C=C/C(=O)[N-]OC1CCCC1 ZINC000492606483 226025805 /nfs/dbraw/zinc/02/58/05/226025805.db2.gz WEDCFFDUJBXUEK-CMDGGOBGSA-N -1 3 246.310 2.394 20 0 BEADHM O=C(/C=C\c1cccc(F)c1)[N-]OCC(F)F ZINC000492619811 226027640 /nfs/dbraw/zinc/02/76/40/226027640.db2.gz DKTNYIHIZCFRQN-PLNGDYQASA-N -1 3 245.200 2.152 20 0 BEADHM Cc1ccc(/C=C/C(=O)[N-]OC/C=C/Cl)o1 ZINC000492950755 226090046 /nfs/dbraw/zinc/09/00/46/226090046.db2.gz LHDPHDFVIWITBU-XSWNDEFRSA-N -1 3 241.674 2.402 20 0 BEADHM O=C(/C=C/C1CCCC1)NCc1ncccc1[O-] ZINC000493450598 226219138 /nfs/dbraw/zinc/21/91/38/226219138.db2.gz JSCOEVMJVAYQMR-BQYQJAHWSA-N -1 3 246.310 2.150 20 0 BEADHM Cc1ccncc1/C=C/C(=O)[N-]OC1CCC1 ZINC000493486262 226229008 /nfs/dbraw/zinc/22/90/08/226229008.db2.gz MVOJXCTWFOWVPF-AATRIKPKSA-N -1 3 232.283 2.004 20 0 BEADHM O=C(/C=C\C1CCCC1)Nc1ncccc1[O-] ZINC000493597420 226245243 /nfs/dbraw/zinc/24/52/43/226245243.db2.gz MOPMPQSAJCXRLL-FPLPWBNLSA-N -1 3 232.283 2.472 20 0 BEADHM C[C@@H]1[C@H](C)CN(C(=O)c2ccc(O)cc2[O-])[C@H]1C ZINC000399522568 262837755 /nfs/dbraw/zinc/83/77/55/262837755.db2.gz CZPMLIHKOJKPSV-BBBLOLIVSA-N -1 3 249.310 2.214 20 0 BEADHM CCN(CC(=O)[O-])Cc1cc(C)ccc1F ZINC000233424384 487716684 /nfs/dbraw/zinc/71/66/84/487716684.db2.gz DMHRWZIYQOMISI-UHFFFAOYSA-N -1 3 225.263 2.041 20 0 BEADHM CC[C@@H](C(=O)[O-])N(C)Cc1cccc(C)c1F ZINC000384593705 487728486 /nfs/dbraw/zinc/72/84/86/487728486.db2.gz DUMCAHRRCLVZNQ-NSHDSACASA-N -1 3 239.290 2.429 20 0 BEADHM CC(C)Oc1cncc(C(=O)[N-]c2cnoc2)c1 ZINC000675774723 487777661 /nfs/dbraw/zinc/77/76/61/487777661.db2.gz OFAMMPCKPFMUBA-UHFFFAOYSA-N -1 3 247.254 2.109 20 0 BEADHM CS[C@H](C)CCC(=O)[N-]OC1CCC1 ZINC000812789357 586584522 /nfs/dbraw/zinc/58/45/22/586584522.db2.gz WKHDQINVBDJSLT-MRVPVSSYSA-N -1 3 217.334 2.118 20 0 BEADHM CCC(CC)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819763934 586990683 /nfs/dbraw/zinc/99/06/83/586990683.db2.gz IUFBPTGLQZGEEU-ZETCQYMHSA-N -1 3 214.334 2.030 20 0 BEADHM CCOC([O-])=NOCCCC(C)(C)C ZINC000496415498 529082897 /nfs/dbraw/zinc/08/28/97/529082897.db2.gz GEJNEZXFQNMNJV-UHFFFAOYSA-N -1 3 203.282 2.490 20 0 BEADHM CCOC(=O)[N-]OCCCC(C)(C)C ZINC000496415498 529082903 /nfs/dbraw/zinc/08/29/03/529082903.db2.gz GEJNEZXFQNMNJV-UHFFFAOYSA-N -1 3 203.282 2.490 20 0 BEADHM CCOC([O-])=NOCCCc1cccc(F)c1 ZINC000496219468 529083225 /nfs/dbraw/zinc/08/32/25/529083225.db2.gz RLSJPBKJIQCSPW-UHFFFAOYSA-N -1 3 241.262 2.436 20 0 BEADHM CCOC(=O)[N-]OCCCc1cccc(F)c1 ZINC000496219468 529083228 /nfs/dbraw/zinc/08/32/28/529083228.db2.gz RLSJPBKJIQCSPW-UHFFFAOYSA-N -1 3 241.262 2.436 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)/C=C/c1cscn1 ZINC000493461961 529328103 /nfs/dbraw/zinc/32/81/03/529328103.db2.gz VYWMUNIHTIQHKW-XNPJLODASA-N -1 3 240.328 2.250 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2CC=CCC2)c1 ZINC000679325382 487907126 /nfs/dbraw/zinc/90/71/26/487907126.db2.gz WDHYNAZIAWSFGG-UHFFFAOYSA-N -1 3 231.295 2.357 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@@H](C)c1cccs1 ZINC001226461688 974915428 /nfs/dbraw/zinc/91/54/28/974915428.db2.gz UEQKMCNJZMWGGF-ZETCQYMHSA-N -1 3 237.284 2.087 20 0 BEADHM CCC[C@H](C)NC(=O)c1ccc([O-])c(OC)c1 ZINC000682358756 487936874 /nfs/dbraw/zinc/93/68/74/487936874.db2.gz XKUMIXHKVMZGMA-VIFPVBQESA-N -1 3 237.299 2.319 20 0 BEADHM COc1cc(C(=O)NC[C@H](C)C2CC2)ccc1[O-] ZINC000682358982 487938111 /nfs/dbraw/zinc/93/81/11/487938111.db2.gz SNBFDQLLASEOQK-VIFPVBQESA-N -1 3 249.310 2.177 20 0 BEADHM CCc1cc(C)nc(NCc2ncccc2[O-])n1 ZINC000684595649 487944112 /nfs/dbraw/zinc/94/41/12/487944112.db2.gz NPFZBVFCZWLBGK-UHFFFAOYSA-N -1 3 244.298 2.060 20 0 BEADHM CC(C)N(Cc1ccoc1C(=O)[O-])C1CC1 ZINC000652403425 487944929 /nfs/dbraw/zinc/94/49/29/487944929.db2.gz BZRRIZCFLOUXJD-UHFFFAOYSA-N -1 3 223.272 2.351 20 0 BEADHM CCC(CC)C(=O)N=c1cc2ccccn2[n-]1 ZINC000557528222 322938795 /nfs/dbraw/zinc/93/87/95/322938795.db2.gz LBIMJVDRINAISK-UHFFFAOYSA-N -1 3 231.299 2.131 20 0 BEADHM CCc1cccc(C(=O)NC[C@H]2C[C@@H]2C)c1[O-] ZINC000531118734 322998581 /nfs/dbraw/zinc/99/85/81/322998581.db2.gz MJROVQHOBXDLFG-GXSJLCMTSA-N -1 3 233.311 2.340 20 0 BEADHM Cc1ncc(CN(C)Cc2ncccc2[O-])s1 ZINC000561947592 323009057 /nfs/dbraw/zinc/00/90/57/323009057.db2.gz XWRKMNHMUMDGLB-UHFFFAOYSA-N -1 3 249.339 2.184 20 0 BEADHM CCc1nocc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000562563367 323024286 /nfs/dbraw/zinc/02/42/86/323024286.db2.gz ULZQLRJZICXSKF-SNAWJCMRSA-N -1 3 231.255 2.211 20 0 BEADHM O=C(c1ccccc1[O-])N1C[C@@H]2CCC[C@H]2C1 ZINC000148885228 323037650 /nfs/dbraw/zinc/03/76/50/323037650.db2.gz RNPGHWJBMURLGF-QWRGUYRKSA-N -1 3 231.295 2.264 20 0 BEADHM C[C@@H]1c2ccccc2CCN1CC1(C(=O)[O-])CC1 ZINC000569981580 323046422 /nfs/dbraw/zinc/04/64/22/323046422.db2.gz KBBPBOHPUUGZAE-LLVKDONJSA-N -1 3 245.322 2.471 20 0 BEADHM CC[C@@H](NCc1cc(C)ccc1F)C(=O)[O-] ZINC000570211874 323053037 /nfs/dbraw/zinc/05/30/37/323053037.db2.gz IZMUQEPMRRLIOF-LLVKDONJSA-N -1 3 225.263 2.087 20 0 BEADHM C[C@@H]1CCCCCN1C(=O)Cc1cncc([O-])c1 ZINC000570292423 323055489 /nfs/dbraw/zinc/05/54/89/323055489.db2.gz OQZYWWWFNOWOEU-LLVKDONJSA-N -1 3 248.326 2.121 20 0 BEADHM CC[C@@H]1CCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000160604083 323073518 /nfs/dbraw/zinc/07/35/18/323073518.db2.gz KARLGAZTSMXPHB-SNVBAGLBSA-N -1 3 234.299 2.012 20 0 BEADHM CCN(CC1CC1)C(=O)c1cc(OC)ccc1[O-] ZINC000069238644 323099150 /nfs/dbraw/zinc/09/91/50/323099150.db2.gz JSQWRJMIWHFBHC-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM CCCCOCC(=O)Nc1cccc([O-])c1F ZINC000534209410 323114768 /nfs/dbraw/zinc/11/47/68/323114768.db2.gz UFIPPAAKHZIMDG-UHFFFAOYSA-N -1 3 241.262 2.287 20 0 BEADHM CC[C@H](OC)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000049449107 323161061 /nfs/dbraw/zinc/16/10/61/323161061.db2.gz BDPBERVTKKDSAS-JTQLQIEISA-N -1 3 243.690 2.409 20 0 BEADHM CCc1ccc(C(=O)N[C@@H](C)CC)c([O-])c1 ZINC000188385369 323169920 /nfs/dbraw/zinc/16/99/20/323169920.db2.gz ZPKDNEDZMWHVMS-VIFPVBQESA-N -1 3 221.300 2.483 20 0 BEADHM COC[C@@H](C)CC(=O)Nc1cccc([O-])c1F ZINC000535657405 323187728 /nfs/dbraw/zinc/18/77/28/323187728.db2.gz BTNCSJNDWREESF-QMMMGPOBSA-N -1 3 241.262 2.142 20 0 BEADHM CC(C)=CCN1CCc2occc2[C@H]1C(=O)[O-] ZINC000530169242 323205114 /nfs/dbraw/zinc/20/51/14/323205114.db2.gz ORAVPYZQXQZBDI-LBPRGKRZSA-N -1 3 235.283 2.230 20 0 BEADHM CCn1cncc1CNCc1ccc([O-])c(F)c1 ZINC000417940723 323213228 /nfs/dbraw/zinc/21/32/28/323213228.db2.gz LSCSLKORRODTMJ-UHFFFAOYSA-N -1 3 249.289 2.038 20 0 BEADHM O=C(NCC1CCCC1)c1ccccc1[O-] ZINC000029923660 323241539 /nfs/dbraw/zinc/24/15/39/323241539.db2.gz WWTUNOJHUZHDMK-UHFFFAOYSA-N -1 3 219.284 2.312 20 0 BEADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1ccccc1[O-] ZINC000528113656 323766711 /nfs/dbraw/zinc/76/67/11/323766711.db2.gz ITNDIRJSIDALCI-BSTOTGJRSA-N -1 3 249.310 2.390 20 0 BEADHM CCO[C@@H](CC)C(=O)Nc1ccc(C)cc1[O-] ZINC000122587079 324050356 /nfs/dbraw/zinc/05/03/56/324050356.db2.gz KTSCJPWNAHURNE-LBPRGKRZSA-N -1 3 237.299 2.454 20 0 BEADHM C[C@@H]1[C@@H](C(=O)Nc2ncccc2[O-])[C@H]1C1CC1 ZINC000529007329 324230619 /nfs/dbraw/zinc/23/06/19/324230619.db2.gz CWKJNADPERBWNB-WHGOUJPWSA-N -1 3 232.283 2.018 20 0 BEADHM O=C(Nc1ncccc1[O-])[C@H]1CCCC12CC2 ZINC000529010536 324231202 /nfs/dbraw/zinc/23/12/02/324231202.db2.gz STCWHBMWGZKMLX-SECBINFHSA-N -1 3 232.283 2.306 20 0 BEADHM O=C([N-]OC1CCC1)[C@@H]1C[C@H]1c1ccsc1 ZINC000529444225 324300021 /nfs/dbraw/zinc/30/00/21/324300021.db2.gz LEGHJJSMJIRBGA-WDEREUQCSA-N -1 3 237.324 2.452 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)NCC1CC=CC1 ZINC000529705534 324379587 /nfs/dbraw/zinc/37/95/87/324379587.db2.gz ASFKBTOGQZWGOK-UHFFFAOYSA-N -1 3 249.285 2.156 20 0 BEADHM O=C(NCC1CC=CC1)c1cccc([O-])c1 ZINC000529714799 324389381 /nfs/dbraw/zinc/38/93/81/324389381.db2.gz PDYKOAMOBRPCGO-UHFFFAOYSA-N -1 3 217.268 2.088 20 0 BEADHM CC[C@H](C)OCC(=O)Nc1cccc([O-])c1F ZINC000129199400 324927793 /nfs/dbraw/zinc/92/77/93/324927793.db2.gz IHWRIOOONHGNHX-QMMMGPOBSA-N -1 3 241.262 2.285 20 0 BEADHM CCO[N-]C(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000069645139 324962472 /nfs/dbraw/zinc/96/24/72/324962472.db2.gz QIMQDBVPTQONES-ACFJMREFSA-N -1 3 235.283 2.484 20 0 BEADHM CC[C@@H]1CO[C@H](C)CN1CCCCCC(=O)[O-] ZINC000071286359 325066699 /nfs/dbraw/zinc/06/66/99/325066699.db2.gz PRIKVAYLWAEIGR-VXGBXAGGSA-N -1 3 243.347 2.131 20 0 BEADHM Cc1cc(C(=O)Nc2c(C)cccc2[O-])ncn1 ZINC000543702933 325101926 /nfs/dbraw/zinc/10/19/26/325101926.db2.gz NAVWJYGDWBNEQL-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM Cc1nc(C(=O)Nc2ccc([O-])cc2F)co1 ZINC000669959745 487966976 /nfs/dbraw/zinc/96/69/76/487966976.db2.gz MWKHRMJPNIQNMU-UHFFFAOYSA-N -1 3 236.202 2.080 20 0 BEADHM C[C@H]1C[C@@H](c2nc(-c3ccc([O-])cc3)no2)CO1 ZINC000132811719 325247024 /nfs/dbraw/zinc/24/70/24/325247024.db2.gz QTEPXJJUHQGRKE-WCBMZHEXSA-N -1 3 246.266 2.335 20 0 BEADHM O=C(NCc1ccc([O-])c(F)c1)c1ccco1 ZINC000133166976 325274492 /nfs/dbraw/zinc/27/44/92/325274492.db2.gz KHSCGWHXJNXYCF-UHFFFAOYSA-N -1 3 235.214 2.054 20 0 BEADHM Cc1cc(NC(=O)c2cnn[n-]2)ccc1C1CC1 ZINC000547537654 325370509 /nfs/dbraw/zinc/37/05/09/325370509.db2.gz VUROLGOMDZIOSV-UHFFFAOYSA-N -1 3 242.282 2.243 20 0 BEADHM Cc1cc(NC(=O)c2c[n-]nn2)ccc1C1CC1 ZINC000547537654 325370511 /nfs/dbraw/zinc/37/05/11/325370511.db2.gz VUROLGOMDZIOSV-UHFFFAOYSA-N -1 3 242.282 2.243 20 0 BEADHM Cc1cc(NC(=O)c2cn[n-]n2)ccc1C1CC1 ZINC000547537654 325370514 /nfs/dbraw/zinc/37/05/14/325370514.db2.gz VUROLGOMDZIOSV-UHFFFAOYSA-N -1 3 242.282 2.243 20 0 BEADHM CC[C@H](SC)C(=O)Nc1ccccc1[O-] ZINC000153314475 325942590 /nfs/dbraw/zinc/94/25/90/325942590.db2.gz MNDMDWLEINDENO-JTQLQIEISA-N -1 3 225.313 2.472 20 0 BEADHM CC(C)C(C)(C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000567898324 326279496 /nfs/dbraw/zinc/27/94/96/326279496.db2.gz LZFZFHFUZUKIRP-UHFFFAOYSA-N -1 3 248.286 2.166 20 0 BEADHM C[C@@H](CC(=O)[O-])N(C)Cc1nc2ccccc2o1 ZINC000568534804 326364196 /nfs/dbraw/zinc/36/41/96/326364196.db2.gz CSZYTFSBGVJKDP-VIFPVBQESA-N -1 3 248.282 2.123 20 0 BEADHM C[C@@H]1CCCCN(c2ccncc2C(=O)[O-])C1 ZINC000569224191 326396008 /nfs/dbraw/zinc/39/60/08/326396008.db2.gz CKDYRQZSPXGAJH-SNVBAGLBSA-N -1 3 234.299 2.406 20 0 BEADHM C[C@H]1CC[C@H](C)N1Cc1ccc(C(=O)[O-])cn1 ZINC000569251679 326397749 /nfs/dbraw/zinc/39/77/49/326397749.db2.gz WFCQFCBFUXRZTM-UWVGGRQHSA-N -1 3 234.299 2.153 20 0 BEADHM Cc1cccc(C(=O)N2CC(C(C)C)C2)c1[O-] ZINC000677127627 487977192 /nfs/dbraw/zinc/97/71/92/487977192.db2.gz NSOSCQDGHBADKP-UHFFFAOYSA-N -1 3 233.311 2.429 20 0 BEADHM Cc1cccc(C(=O)N2CC3(CC(F)C3)C2)c1[O-] ZINC000677125321 487977494 /nfs/dbraw/zinc/97/74/94/487977494.db2.gz TWINMHDVDYCPQF-UHFFFAOYSA-N -1 3 249.285 2.275 20 0 BEADHM CC[C@@H](C)N(C)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000667763660 488111031 /nfs/dbraw/zinc/11/10/31/488111031.db2.gz FOSRXCGKVXPBJU-MRVPVSSYSA-N -1 3 247.298 2.139 20 0 BEADHM CC(C)(C)c1nc(C=Cc2cn[nH]c2)cc(=O)[n-]1 ZINC000666086649 488117767 /nfs/dbraw/zinc/11/77/67/488117767.db2.gz PZAYOTOYTVPQRG-PLNGDYQASA-N -1 3 244.298 2.373 20 0 BEADHM Cc1ccc(C(=O)N2CC(F)(F)C2)c([O-])c1C ZINC000679918766 487487538 /nfs/dbraw/zinc/48/75/38/487487538.db2.gz XUAQFKWTMWHRIQ-UHFFFAOYSA-N -1 3 241.237 2.100 20 0 BEADHM CSc1ccc([O-])c(C(=O)N(C)C2CC2)c1 ZINC000666266590 487506586 /nfs/dbraw/zinc/50/65/86/487506586.db2.gz GOOTWJYCMDLTLE-UHFFFAOYSA-N -1 3 237.324 2.349 20 0 BEADHM CCc1cc(C(=O)N2CC3(CC3)C2)ccc1[O-] ZINC000334530976 487520632 /nfs/dbraw/zinc/52/06/32/487520632.db2.gz DHUVDGLZWXBWLS-UHFFFAOYSA-N -1 3 231.295 2.191 20 0 BEADHM Cc1cc(C(=O)Nc2ncccc2[O-])cs1 ZINC000671794038 487737605 /nfs/dbraw/zinc/73/76/05/487737605.db2.gz NQRCSQZOGGMSRV-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM CCC[C@H](O)CC(=O)Nc1ccc(C)cc1[O-] ZINC000677502789 488053714 /nfs/dbraw/zinc/05/37/14/488053714.db2.gz SEFIZTQXBWWMHW-JTQLQIEISA-N -1 3 237.299 2.190 20 0 BEADHM C[C@H](O)C1(NCc2cccc([O-])c2Cl)CC1 ZINC000668702122 488137588 /nfs/dbraw/zinc/13/75/88/488137588.db2.gz WIZFNNLCPZPPCC-QMMMGPOBSA-N -1 3 241.718 2.049 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2ccoc2)n1 ZINC000684089316 488265225 /nfs/dbraw/zinc/26/52/25/488265225.db2.gz SWDWFFUVOBTJRG-JTQLQIEISA-N -1 3 247.298 2.277 20 0 BEADHM C[C@@H](C(=O)NCc1ncccc1[O-])C1CCCC1 ZINC000684351137 488298493 /nfs/dbraw/zinc/29/84/93/488298493.db2.gz SZCCBHWEBYCLLC-SNVBAGLBSA-N -1 3 248.326 2.230 20 0 BEADHM CCc1cc([N-]C(=O)c2oc(C)nc2C)no1 ZINC000673678346 488303051 /nfs/dbraw/zinc/30/30/51/488303051.db2.gz ZVBAYHLYRZTEAN-UHFFFAOYSA-N -1 3 235.243 2.094 20 0 BEADHM COc1ccc(C(=O)N[C@H](C)C2CCC2)c([O-])c1 ZINC000125875825 490468762 /nfs/dbraw/zinc/46/87/62/490468762.db2.gz WGXJSMUGBMAIBM-SECBINFHSA-N -1 3 249.310 2.319 20 0 BEADHM C[C@H](c1cccnc1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086757468 491064381 /nfs/dbraw/zinc/06/43/81/491064381.db2.gz NDQRDKDUUVTXHI-VXGBXAGGSA-N -1 3 248.326 2.329 20 0 BEADHM C/C=C/CNCc1cccc(C(=O)[O-])c1 ZINC000384734542 491125193 /nfs/dbraw/zinc/12/51/93/491125193.db2.gz KMMMSSAELVYOAO-NSCUHMNNSA-N -1 3 205.257 2.051 20 0 BEADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccnnc1 ZINC000134037406 491161671 /nfs/dbraw/zinc/16/16/71/491161671.db2.gz BRINZIYRTGPMQM-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM C[C@@H]1CSCCN1Cc1ccc([O-])c(F)c1 ZINC000892046763 582772051 /nfs/dbraw/zinc/77/20/51/582772051.db2.gz YNFQDYGKTMDWNN-SECBINFHSA-N -1 3 241.331 2.469 20 0 BEADHM CC(C)(C)CCNC(=O)/C=C/c1cncc([O-])c1 ZINC000492475837 527664883 /nfs/dbraw/zinc/66/48/83/527664883.db2.gz ROWXYAYRIHKTJT-SNAWJCMRSA-N -1 3 248.326 2.353 20 0 BEADHM CCC[C@H](CC)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492446457 528091731 /nfs/dbraw/zinc/09/17/31/528091731.db2.gz UPRRSLVJCDULQO-DGMVEKRQSA-N -1 3 248.326 2.495 20 0 BEADHM CCC(C)(C)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000492978382 528507130 /nfs/dbraw/zinc/50/71/30/528507130.db2.gz CUTZOCGBULIDCM-WAYWQWQTSA-N -1 3 248.326 2.353 20 0 BEADHM CCOCCO[N-]C(=O)/C=C/c1ccc(C)cc1 ZINC000492641284 528816166 /nfs/dbraw/zinc/81/61/66/528816166.db2.gz CSIJQPUINFLUOM-CMDGGOBGSA-N -1 3 249.310 2.093 20 0 BEADHM CCC[C@@H](CC)NC(=O)c1csc(=O)[n-]1 ZINC000471914476 528923405 /nfs/dbraw/zinc/92/34/05/528923405.db2.gz IHLSMRQYQQAHOB-SSDOTTSWSA-N -1 3 228.317 2.157 20 0 BEADHM CCOC([O-])=NOC[C@@H]1C[C@H]1c1ccccc1 ZINC000496859399 529084168 /nfs/dbraw/zinc/08/41/68/529084168.db2.gz ZPNGKYRTPFGUOY-RYUDHWBXSA-N -1 3 235.283 2.468 20 0 BEADHM CCOC(=O)[N-]OC[C@@H]1C[C@H]1c1ccccc1 ZINC000496859399 529084172 /nfs/dbraw/zinc/08/41/72/529084172.db2.gz ZPNGKYRTPFGUOY-RYUDHWBXSA-N -1 3 235.283 2.468 20 0 BEADHM CC[C@@H]1CCCN1C(=O)/C=C\c1cncc([O-])c1 ZINC000492476183 529299872 /nfs/dbraw/zinc/29/98/72/529299872.db2.gz SKJNQCWPYCKZIG-FOQNGQEVSA-N -1 3 246.310 2.201 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)/C=C\c1cncs1 ZINC000492922446 529328246 /nfs/dbraw/zinc/32/82/46/529328246.db2.gz LHLQQOXSIFQJBR-XRVBUDJMSA-N -1 3 240.328 2.250 20 0 BEADHM COC1(C(=O)Nc2cccc([O-])c2F)CCC1 ZINC000335313524 536546199 /nfs/dbraw/zinc/54/61/99/536546199.db2.gz MYWZTEUQBXOADD-UHFFFAOYSA-N -1 3 239.246 2.039 20 0 BEADHM CCCCOCC(=O)Nc1ccc([O-])cc1F ZINC000183239819 535301396 /nfs/dbraw/zinc/30/13/96/535301396.db2.gz OZACKRJWPRGMAU-UHFFFAOYSA-N -1 3 241.262 2.287 20 0 BEADHM CCCCS(=O)(=O)[N-]c1ccccc1F ZINC000014254569 535336615 /nfs/dbraw/zinc/33/66/15/535336615.db2.gz SWPDYVIPTRKBIY-UHFFFAOYSA-N -1 3 231.292 2.368 20 0 BEADHM CCOCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274392943 535411823 /nfs/dbraw/zinc/41/18/23/535411823.db2.gz QBOKMQUINZWKDV-SNVBAGLBSA-N -1 3 249.310 2.269 20 0 BEADHM CCO[N-]C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185933937 535725341 /nfs/dbraw/zinc/72/53/41/535725341.db2.gz GQIQURPJCNBGOU-UHFFFAOYSA-N -1 3 246.270 2.150 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C)C2)c1 ZINC000334170612 536190723 /nfs/dbraw/zinc/19/07/23/536190723.db2.gz BHCFVMLXGBNKBD-JTQLQIEISA-N -1 3 233.311 2.437 20 0 BEADHM C[C@H]1CCN(c2cc(=O)[n-]cn2)CC1(C)C ZINC000893181174 583065274 /nfs/dbraw/zinc/06/52/74/583065274.db2.gz HRQRXOHXQCYJJZ-VIFPVBQESA-N -1 3 221.304 2.055 20 0 BEADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C1CCC1 ZINC000157544008 566478526 /nfs/dbraw/zinc/47/85/26/566478526.db2.gz XLXKLDKESOXCNE-QMMMGPOBSA-N -1 3 245.369 2.215 20 0 BEADHM CC(C)(C)C(=O)[N-]OCc1cc(C2CC2)no1 ZINC000853663732 588753877 /nfs/dbraw/zinc/75/38/77/588753877.db2.gz AHWLVRAXUCHIJZ-UHFFFAOYSA-N -1 3 238.287 2.146 20 0 BEADHM CC(C)(C)CC(=O)[N-]OCC1CC=CC1 ZINC000853707164 588758266 /nfs/dbraw/zinc/75/82/66/588758266.db2.gz XELFVUHFWQSJAX-UHFFFAOYSA-N -1 3 211.305 2.437 20 0 BEADHM Cc1nc(C)c(CO[N-]C(=O)CC(C)(C)C)o1 ZINC000853707288 588758425 /nfs/dbraw/zinc/75/84/25/588758425.db2.gz ZMOCJXQKYVVLKC-UHFFFAOYSA-N -1 3 240.303 2.275 20 0 BEADHM CCOC([O-])=NOC[C@H]1CCCC[C@H]1C ZINC000853725903 588759548 /nfs/dbraw/zinc/75/95/48/588759548.db2.gz HBQOARIHESIPBK-NXEZZACHSA-N -1 3 215.293 2.490 20 0 BEADHM CCOC(=O)[N-]OC[C@H]1CCCC[C@H]1C ZINC000853725903 588759549 /nfs/dbraw/zinc/75/95/49/588759549.db2.gz HBQOARIHESIPBK-NXEZZACHSA-N -1 3 215.293 2.490 20 0 BEADHM Cc1cccnc1NC([O-])=NOCC1CCC1 ZINC000853870961 588766754 /nfs/dbraw/zinc/76/67/54/588766754.db2.gz SIIKPLNDCSFIMR-UHFFFAOYSA-N -1 3 235.287 2.243 20 0 BEADHM Cc1cccnc1NC(=O)[N-]OCC1CCC1 ZINC000853870961 588766755 /nfs/dbraw/zinc/76/67/55/588766755.db2.gz SIIKPLNDCSFIMR-UHFFFAOYSA-N -1 3 235.287 2.243 20 0 BEADHM [O-]C(=NOCC1CCC1)N1CCc2ccccc21 ZINC000854175840 588778094 /nfs/dbraw/zinc/77/80/94/588778094.db2.gz YCAFLRRNFOWQIA-UHFFFAOYSA-N -1 3 246.310 2.490 20 0 BEADHM O=C([N-]OCC1CCC1)N1CCc2ccccc21 ZINC000854175840 588778095 /nfs/dbraw/zinc/77/80/95/588778095.db2.gz YCAFLRRNFOWQIA-UHFFFAOYSA-N -1 3 246.310 2.490 20 0 BEADHM O=C([N-]C1=NCCS1)[C@H]1CCCC2(CC2)C1 ZINC000854293329 588782877 /nfs/dbraw/zinc/78/28/77/588782877.db2.gz QXDBNANROQUITG-VIFPVBQESA-N -1 3 238.356 2.176 20 0 BEADHM COCC(C)(C)CC(=O)[N-]Oc1ccccc1 ZINC000854536912 588791599 /nfs/dbraw/zinc/79/15/99/588791599.db2.gz YSUCZOLSIHFEOB-UHFFFAOYSA-N -1 3 237.299 2.159 20 0 BEADHM O=C(C[C@H]1CCCC[C@@H]1O)[N-]Oc1ccccc1 ZINC000854537573 588791732 /nfs/dbraw/zinc/79/17/32/588791732.db2.gz WBHOIHNMKQDJKR-YPMHNXCESA-N -1 3 249.310 2.038 20 0 BEADHM Cc1cc(C)cc(CC(=O)[N-]OC(C)C)c1 ZINC000854755088 588805788 /nfs/dbraw/zinc/80/57/88/588805788.db2.gz ZNGNNLXIYLUMQL-UHFFFAOYSA-N -1 3 221.300 2.302 20 0 BEADHM Cc1ccc(C(=O)N[C@H]2C=CCC2)c([O-])c1C ZINC000855429477 588834754 /nfs/dbraw/zinc/83/47/54/588834754.db2.gz INMJOAJELVSZES-NSHDSACASA-N -1 3 231.295 2.457 20 0 BEADHM CCc1ccc(C(=O)N[C@@H]2C=CCC2)c([O-])c1 ZINC000855431222 588835014 /nfs/dbraw/zinc/83/50/14/588835014.db2.gz UHFMQMFCMZIQNN-LLVKDONJSA-N -1 3 231.295 2.403 20 0 BEADHM CN(c1cc(=O)[n-]cn1)[C@@H]1CCc2ccccc21 ZINC000891677915 582709121 /nfs/dbraw/zinc/70/91/21/582709121.db2.gz OJESTLWXTMYWDC-GFCCVEGCSA-N -1 3 241.294 2.306 20 0 BEADHM CN(c1cc(=O)[n-]cn1)[C@H]1CCc2ccccc21 ZINC000891677918 582709270 /nfs/dbraw/zinc/70/92/70/582709270.db2.gz OJESTLWXTMYWDC-LBPRGKRZSA-N -1 3 241.294 2.306 20 0 BEADHM C[C@H]1CSCCN1Cc1ccc([O-])c(F)c1 ZINC000892046764 582772229 /nfs/dbraw/zinc/77/22/29/582772229.db2.gz YNFQDYGKTMDWNN-VIFPVBQESA-N -1 3 241.331 2.469 20 0 BEADHM O=c1cc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)nc[n-]1 ZINC000892096534 582789627 /nfs/dbraw/zinc/78/96/27/582789627.db2.gz VNIUKWNIKPHHSH-ZYANWLCNSA-N -1 3 245.326 2.197 20 0 BEADHM Cc1cc(C(=O)N[C@H]2C=CCC2)ccc1[O-] ZINC000829344058 582856571 /nfs/dbraw/zinc/85/65/71/582856571.db2.gz SQCZMCJWOIXZLG-NSHDSACASA-N -1 3 217.268 2.149 20 0 BEADHM C[C@@H](CC(=O)[N-]OCC1CCC1)[C@@H]1CCCO1 ZINC000856341395 588867469 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/nfs/dbraw/zinc/00/91/66/585009166.db2.gz UGMYNXIOLZECCX-UHFFFAOYSA-N -1 3 238.291 2.259 20 0 BEADHM CSC[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737175651 585026865 /nfs/dbraw/zinc/02/68/65/585026865.db2.gz FQQUOPFZJJLSBU-MRVPVSSYSA-N -1 3 249.343 2.030 20 0 BEADHM CSC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737175651 585026866 /nfs/dbraw/zinc/02/68/66/585026866.db2.gz FQQUOPFZJJLSBU-MRVPVSSYSA-N -1 3 249.343 2.030 20 0 BEADHM O=c1ccnc(C=Cc2cccs2)[n-]1 ZINC000742221478 585030111 /nfs/dbraw/zinc/03/01/11/585030111.db2.gz KWAVTEASDHBHMT-ONEGZZNKSA-N -1 3 204.254 2.414 20 0 BEADHM C/C=C\COC(=O)Cc1ccc([O-])c(F)c1 ZINC000838146670 585047308 /nfs/dbraw/zinc/04/73/08/585047308.db2.gz UZGZWBKXNXCGOR-IHWYPQMZSA-N -1 3 224.231 2.193 20 0 BEADHM COc1ccc(C=Cc2nccc(=O)[n-]2)cc1O ZINC000742221829 585123223 /nfs/dbraw/zinc/12/32/23/585123223.db2.gz VLIWCFLTVSWQLI-HWKANZROSA-N -1 3 244.250 2.067 20 0 BEADHM COc1ccc(C=Cc2nccc(=O)[n-]2)cc1O ZINC000742221830 585123318 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Cc1cc(COC(=O)c2ccc([O-])cc2C)no1 ZINC000758514717 585356779 /nfs/dbraw/zinc/35/67/79/585356779.db2.gz HHHYXTOPWYUTTC-UHFFFAOYSA-N -1 3 247.250 2.354 20 0 BEADHM Cc1cc([O-])ccc1C(=O)OCC1CC1 ZINC000758513837 585356813 /nfs/dbraw/zinc/35/68/13/585356813.db2.gz FVLSMZZYFMCKHR-UHFFFAOYSA-N -1 3 206.241 2.267 20 0 BEADHM Cc1cc([O-])ccc1C(=O)OCCOC(C)C ZINC000758538112 585356884 /nfs/dbraw/zinc/35/68/84/585356884.db2.gz VVOJVDSCDGVQDM-UHFFFAOYSA-N -1 3 238.283 2.282 20 0 BEADHM C/C=C/COC(=O)c1ccc([O-])cc1C ZINC000758532649 585357044 /nfs/dbraw/zinc/35/70/44/585357044.db2.gz XHMVONMYHLJZBD-ONEGZZNKSA-N -1 3 206.241 2.434 20 0 BEADHM O=C([N-]c1cccc(F)c1F)c1cnco1 ZINC000758786810 585359989 /nfs/dbraw/zinc/35/99/89/585359989.db2.gz IGRAEHUKHHWXIJ-UHFFFAOYSA-N -1 3 224.166 2.205 20 0 BEADHM CCON=C([O-])Nc1scnc1C1CC1 ZINC000759996271 585383937 /nfs/dbraw/zinc/38/39/37/585383937.db2.gz XRYCWXFWBGVFBZ-UHFFFAOYSA-N -1 3 227.289 2.094 20 0 BEADHM CCO[N-]C(=O)Nc1scnc1C1CC1 ZINC000759996271 585383938 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ZINC000817446083 586806088 /nfs/dbraw/zinc/80/60/88/586806088.db2.gz GOFFWFKUXIIIIH-UHFFFAOYSA-N -1 3 241.331 2.041 20 0 BEADHM CC(C)C[C@H](NCCC(=O)[O-])c1ccccn1 ZINC000817869057 586831292 /nfs/dbraw/zinc/83/12/92/586831292.db2.gz VCNQZLLFWUXQHQ-LBPRGKRZSA-N -1 3 236.315 2.233 20 0 BEADHM CC[C@H](C)[C@@H](C)NC(=O)c1ccc(N)cc1[O-] ZINC000817923188 586841192 /nfs/dbraw/zinc/84/11/92/586841192.db2.gz HDAYPQIOIMNHKS-DTWKUNHWSA-N -1 3 236.315 2.139 20 0 BEADHM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(N)cc2[O-])C1 ZINC000817945078 586845840 /nfs/dbraw/zinc/84/58/40/586845840.db2.gz SRUGVBSIIJWYDQ-ZJUUUORDSA-N -1 3 248.326 2.235 20 0 BEADHM CCC1(NC(=O)c2ccc(N)cc2[O-])CCC1 ZINC000817944840 586846283 /nfs/dbraw/zinc/84/62/83/586846283.db2.gz NJPQFVHPQSSCTK-UHFFFAOYSA-N -1 3 234.299 2.037 20 0 BEADHM C[C@H](CCC1CC1)NC(=O)c1ccc(N)cc1[O-] ZINC000817998456 586863280 /nfs/dbraw/zinc/86/32/80/586863280.db2.gz GQCPVVGZZHGOAV-SECBINFHSA-N -1 3 248.326 2.283 20 0 BEADHM CC(F)(F)C(=O)[N-][C@@H]1C[C@]1(F)c1ccccc1 ZINC000818095300 586873983 /nfs/dbraw/zinc/87/39/83/586873983.db2.gz HUEYXSGKKSQCIZ-SKDRFNHKSA-N -1 3 243.228 2.395 20 0 BEADHM CCOC([O-])=NOC[C@@H]1CCC(F)(F)C1 ZINC000818107252 586875411 /nfs/dbraw/zinc/87/54/11/586875411.db2.gz NBVPCFPFBJNZLY-SSDOTTSWSA-N -1 3 223.219 2.100 20 0 BEADHM CCOC(=O)[N-]OC[C@@H]1CCC(F)(F)C1 ZINC000818107252 586875413 /nfs/dbraw/zinc/87/54/13/586875413.db2.gz NBVPCFPFBJNZLY-SSDOTTSWSA-N -1 3 223.219 2.100 20 0 BEADHM CC[C@@H](NCCC(=O)[O-])c1cc(F)ccc1F ZINC000818143815 586877575 /nfs/dbraw/zinc/87/75/75/586877575.db2.gz XSUWFCBTDPNDIJ-LLVKDONJSA-N -1 3 243.253 2.480 20 0 BEADHM CC[C@@H](NCc1cscc1Cl)C(=O)[O-] ZINC000818323883 586886546 /nfs/dbraw/zinc/88/65/46/586886546.db2.gz UMCZNTXAGQYQTD-MRVPVSSYSA-N -1 3 233.720 2.354 20 0 BEADHM C[C@@H]1CCCC[C@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000819205901 586938719 /nfs/dbraw/zinc/93/87/19/586938719.db2.gz RZXWGKQMADTZFY-UTUOFQBUSA-N -1 3 241.331 2.387 20 0 BEADHM O=C([N-][C@@H]1C[C@]1(F)c1ccccc1)C(F)F ZINC000819627685 586981650 /nfs/dbraw/zinc/98/16/50/586981650.db2.gz BBEGNMUXCZETHH-KCJUWKMLSA-N -1 3 229.201 2.005 20 0 BEADHM Cc1cc(=O)[n-]c(CN2CCCC3(CC3)CC2)n1 ZINC000860072741 589079520 /nfs/dbraw/zinc/07/95/20/589079520.db2.gz GIFGUWZVZIFVBG-UHFFFAOYSA-N -1 3 247.342 2.257 20 0 BEADHM CCC(C)(CC)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819775570 586992638 /nfs/dbraw/zinc/99/26/38/586992638.db2.gz HMFZJEOIIRLFJP-MRVPVSSYSA-N -1 3 228.361 2.420 20 0 BEADHM CC[C@H](C)[C@H](C)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819775891 586992802 /nfs/dbraw/zinc/99/28/02/586992802.db2.gz KMSCGQPUQLLYBV-CIUDSAMLSA-N -1 3 228.361 2.276 20 0 BEADHM CC[C@@H]1CCC[C@H]1C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819781174 586993856 /nfs/dbraw/zinc/99/38/56/586993856.db2.gz MELZNAXVJFAHEZ-OPRDCNLKSA-N -1 3 240.372 2.420 20 0 BEADHM CC[C@H](C)CC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819779925 586993901 /nfs/dbraw/zinc/99/39/01/586993901.db2.gz BJTPZAVSZLKBFO-JGVFFNPUSA-N -1 3 214.334 2.030 20 0 BEADHM CC(C)(C)CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000819914128 587001861 /nfs/dbraw/zinc/00/18/61/587001861.db2.gz MLOQGVFFBLZMHF-UHFFFAOYSA-N -1 3 249.293 2.464 20 0 BEADHM CC(C)(C)CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000819914128 587001863 /nfs/dbraw/zinc/00/18/63/587001863.db2.gz MLOQGVFFBLZMHF-UHFFFAOYSA-N -1 3 249.293 2.464 20 0 BEADHM CC(C)[C@H](C)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820015969 587013310 /nfs/dbraw/zinc/01/33/10/587013310.db2.gz IJODUKCXYHQKGJ-QMMMGPOBSA-N -1 3 249.293 2.462 20 0 BEADHM CC(C)[C@H](C)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820015969 587013311 /nfs/dbraw/zinc/01/33/11/587013311.db2.gz IJODUKCXYHQKGJ-QMMMGPOBSA-N -1 3 249.293 2.462 20 0 BEADHM C[C@@H](CC(=O)[O-])NC1(c2cccc(F)c2)CC1 ZINC000820072370 587017935 /nfs/dbraw/zinc/01/79/35/587017935.db2.gz QGEHKVLODKBUSP-VIFPVBQESA-N -1 3 237.274 2.268 20 0 BEADHM CC(C)CCCNc1ccc(-c2nnn[n-]2)nc1 ZINC000820074022 587018521 /nfs/dbraw/zinc/01/85/21/587018521.db2.gz YIXBNPFZQWBFBQ-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CC(C)CCCNc1ccc(-c2nn[n-]n2)nc1 ZINC000820074022 587018523 /nfs/dbraw/zinc/01/85/23/587018523.db2.gz YIXBNPFZQWBFBQ-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM O=C(C=CC1CC1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820218241 587035782 /nfs/dbraw/zinc/03/57/82/587035782.db2.gz INZXPVDIQKWDFW-ZZXKWVIFSA-N -1 3 243.266 2.173 20 0 BEADHM CCC[C@H](N[C@H](C)CC(=O)[O-])c1ccccn1 ZINC000820303484 587042498 /nfs/dbraw/zinc/04/24/98/587042498.db2.gz FMMZFHBEAXZANP-PWSUYJOCSA-N -1 3 236.315 2.376 20 0 BEADHM CCC[C@H](N[C@@H](C)CC(=O)[O-])c1ccccn1 ZINC000820303483 587042519 /nfs/dbraw/zinc/04/25/19/587042519.db2.gz FMMZFHBEAXZANP-JQWIXIFHSA-N -1 3 236.315 2.376 20 0 BEADHM CCc1nc([C@@H](C)N[C@H](C)CC(=O)[O-])cs1 ZINC000820492778 587051444 /nfs/dbraw/zinc/05/14/44/587051444.db2.gz QRUPIQRPYQLERM-HTQZYQBOSA-N -1 3 242.344 2.219 20 0 BEADHM CO[C@@H]1C[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000820558794 587054118 /nfs/dbraw/zinc/05/41/18/587054118.db2.gz RUEITFNCIFFBGG-HZGVNTEJSA-N -1 3 241.674 2.019 20 0 BEADHM CC[C@@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000820862647 587077966 /nfs/dbraw/zinc/07/79/66/587077966.db2.gz QVXZRRKTHUMGCO-RKDXNWHRSA-N -1 3 246.318 2.108 20 0 BEADHM CC[C@@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000820862647 587077968 /nfs/dbraw/zinc/07/79/68/587077968.db2.gz QVXZRRKTHUMGCO-RKDXNWHRSA-N -1 3 246.318 2.108 20 0 BEADHM COc1ccccc1/C=C\CN(C)CCC(=O)[O-] ZINC000820876605 587079094 /nfs/dbraw/zinc/07/90/94/587079094.db2.gz RZVPPQBUZJNSAJ-ALCCZGGFSA-N -1 3 249.310 2.115 20 0 BEADHM CCC[C@H]1C[C@H]1Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821040744 587090305 /nfs/dbraw/zinc/09/03/05/587090305.db2.gz QTNOFVDSHYOYNE-CMPLNLGQSA-N -1 3 243.314 2.467 20 0 BEADHM CCC[C@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821040744 587090307 /nfs/dbraw/zinc/09/03/07/587090307.db2.gz QTNOFVDSHYOYNE-CMPLNLGQSA-N -1 3 243.314 2.467 20 0 BEADHM Cc1cccc(F)c1CN[C@@H](C)CC(=O)[O-] ZINC000821112412 587096436 /nfs/dbraw/zinc/09/64/36/587096436.db2.gz ZHDPUTGPJJWVDX-VIFPVBQESA-N -1 3 225.263 2.087 20 0 BEADHM CCCOc1c(C)cc(-c2nnn[n-]2)cc1C ZINC000821127219 587097468 /nfs/dbraw/zinc/09/74/68/587097468.db2.gz DAJRQRYAYTWNEF-UHFFFAOYSA-N -1 3 232.287 2.272 20 0 BEADHM CCCOc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000821127219 587097470 /nfs/dbraw/zinc/09/74/70/587097470.db2.gz DAJRQRYAYTWNEF-UHFFFAOYSA-N -1 3 232.287 2.272 20 0 BEADHM O=C(C[C@H]1CC=CCC1)[N-]OC1CCC1 ZINC000821223032 587102875 /nfs/dbraw/zinc/10/28/75/587102875.db2.gz ZNYIWRXXZLXIIR-JTQLQIEISA-N -1 3 209.289 2.333 20 0 BEADHM CCNc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000821294570 587105702 /nfs/dbraw/zinc/10/57/02/587105702.db2.gz VJJPIBUHGIZBPZ-UHFFFAOYSA-N -1 3 247.302 2.086 20 0 BEADHM CCNc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000821294570 587105703 /nfs/dbraw/zinc/10/57/03/587105703.db2.gz VJJPIBUHGIZBPZ-UHFFFAOYSA-N -1 3 247.302 2.086 20 0 BEADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(C)C ZINC000821412505 587118580 /nfs/dbraw/zinc/11/85/80/587118580.db2.gz MUUAZMXIWYLHQQ-UHFFFAOYSA-N -1 3 247.302 2.086 20 0 BEADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(C)C ZINC000821412505 587118581 /nfs/dbraw/zinc/11/85/81/587118581.db2.gz MUUAZMXIWYLHQQ-UHFFFAOYSA-N -1 3 247.302 2.086 20 0 BEADHM Cc1c(NC/C=C\Cl)cccc1-c1nnn[n-]1 ZINC000822121283 587154760 /nfs/dbraw/zinc/15/47/60/587154760.db2.gz CPJDZRPTHMFBPW-UTCJRWHESA-N -1 3 249.705 2.340 20 0 BEADHM Cc1c(NC/C=C\Cl)cccc1-c1nn[n-]n1 ZINC000822121283 587154762 /nfs/dbraw/zinc/15/47/62/587154762.db2.gz CPJDZRPTHMFBPW-UTCJRWHESA-N -1 3 249.705 2.340 20 0 BEADHM O=C([N-]C1=NCCS1)[C@H]1CCCCC1(F)F ZINC000822234425 587159135 /nfs/dbraw/zinc/15/91/35/587159135.db2.gz SKNHZUBLUGRAEU-SSDOTTSWSA-N -1 3 248.298 2.031 20 0 BEADHM CCC(F)(F)C(=O)[N-]Cc1csc(C)n1 ZINC000822606733 587177377 /nfs/dbraw/zinc/17/73/77/587177377.db2.gz ABUJFSYHCFFCSJ-UHFFFAOYSA-N -1 3 234.271 2.113 20 0 BEADHM Fc1ccc(NCCC2CC2)c(-c2nnn[n-]2)c1 ZINC000822778744 587185647 /nfs/dbraw/zinc/18/56/47/587185647.db2.gz NOGGWMRSYRJNKF-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM Fc1ccc(NCCC2CC2)c(-c2nn[n-]n2)c1 ZINC000822778744 587185648 /nfs/dbraw/zinc/18/56/48/587185648.db2.gz NOGGWMRSYRJNKF-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM CC(C)C[C@@H]1C[C@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000822917900 587193147 /nfs/dbraw/zinc/19/31/47/587193147.db2.gz IWZKWEQKSRGGNM-UTUOFQBUSA-N -1 3 241.331 2.243 20 0 BEADHM CC(C)=C(C)CC(=O)[N-]OCCOC(C)C ZINC000823076764 587201042 /nfs/dbraw/zinc/20/10/42/587201042.db2.gz KJVGRDRPDFSMEK-UHFFFAOYSA-N -1 3 229.320 2.206 20 0 BEADHM CCc1n[n-]c(Cl)c1C(=O)OC(C)C ZINC000860223294 589090047 /nfs/dbraw/zinc/09/00/47/589090047.db2.gz MMHZLBMQPSRKSU-UHFFFAOYSA-N -1 3 216.668 2.191 20 0 BEADHM CCc1[n-]nc(Cl)c1C(=O)OC(C)C ZINC000860223294 589090048 /nfs/dbraw/zinc/09/00/48/589090048.db2.gz MMHZLBMQPSRKSU-UHFFFAOYSA-N -1 3 216.668 2.191 20 0 BEADHM CC(F)(F)C(=O)[N-]Cc1ccnc(Cl)c1 ZINC000823621646 587233300 /nfs/dbraw/zinc/23/33/00/587233300.db2.gz FRRQGAFTOJQTRA-UHFFFAOYSA-N -1 3 234.633 2.006 20 0 BEADHM CCC(F)(F)C(=O)[N-][C@@H](C)c1nccc(C)n1 ZINC000823705930 587237406 /nfs/dbraw/zinc/23/74/06/587237406.db2.gz UQVMDUKSWKSIEY-QMMMGPOBSA-N -1 3 243.257 2.008 20 0 BEADHM [O-]C(=NOCC1CCC1)Nc1cccnc1F ZINC000823862441 587244226 /nfs/dbraw/zinc/24/42/26/587244226.db2.gz BCDMWVFWCYENKT-UHFFFAOYSA-N -1 3 239.250 2.074 20 0 BEADHM O=C([N-]OCC1CCC1)Nc1cccnc1F ZINC000823862441 587244227 /nfs/dbraw/zinc/24/42/27/587244227.db2.gz BCDMWVFWCYENKT-UHFFFAOYSA-N -1 3 239.250 2.074 20 0 BEADHM CC(C)=CCN1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000824038676 587250802 /nfs/dbraw/zinc/25/08/02/587250802.db2.gz IVBRIRNKIAAUBO-LLVKDONJSA-N -1 3 226.320 2.027 20 0 BEADHM C[C@@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824915547 587293753 /nfs/dbraw/zinc/29/37/53/587293753.db2.gz GGCYEYNCTAEUAD-BXKDBHETSA-N -1 3 243.314 2.467 20 0 BEADHM C[C@@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824915547 587293755 /nfs/dbraw/zinc/29/37/55/587293755.db2.gz GGCYEYNCTAEUAD-BXKDBHETSA-N -1 3 243.314 2.467 20 0 BEADHM CC[C@@H](C)[C@@H](C)Nc1cnccc1-c1nnn[n-]1 ZINC000825059728 587301939 /nfs/dbraw/zinc/30/19/39/587301939.db2.gz JKXUMKHIYCMMBD-RKDXNWHRSA-N -1 3 246.318 2.108 20 0 BEADHM CC[C@@H](C)[C@@H](C)Nc1cnccc1-c1nn[n-]n1 ZINC000825059728 587301941 /nfs/dbraw/zinc/30/19/41/587301941.db2.gz JKXUMKHIYCMMBD-RKDXNWHRSA-N -1 3 246.318 2.108 20 0 BEADHM CC[C@H](C)[C@@H](C)Nc1cnccc1-c1nnn[n-]1 ZINC000825059726 587301945 /nfs/dbraw/zinc/30/19/45/587301945.db2.gz JKXUMKHIYCMMBD-DTWKUNHWSA-N -1 3 246.318 2.108 20 0 BEADHM CC[C@H](C)[C@@H](C)Nc1cnccc1-c1nn[n-]n1 ZINC000825059726 587301947 /nfs/dbraw/zinc/30/19/47/587301947.db2.gz JKXUMKHIYCMMBD-DTWKUNHWSA-N -1 3 246.318 2.108 20 0 BEADHM CCCON=C([O-])Nc1cnc2c(C)cccn12 ZINC000825468521 587320326 /nfs/dbraw/zinc/32/03/26/587320326.db2.gz MTTZIDIRUMEYKG-UHFFFAOYSA-N -1 3 248.286 2.106 20 0 BEADHM CCCO[N-]C(=O)Nc1cnc2c(C)cccn12 ZINC000825468521 587320328 /nfs/dbraw/zinc/32/03/28/587320328.db2.gz MTTZIDIRUMEYKG-UHFFFAOYSA-N -1 3 248.286 2.106 20 0 BEADHM C[C@@H](N[C@H]1CCN(C(=O)[O-])C1)c1ccsc1 ZINC000825478197 587320390 /nfs/dbraw/zinc/32/03/90/587320390.db2.gz FOZGEHBOICRUSA-SCZZXKLOSA-N -1 3 240.328 2.151 20 0 BEADHM CC(C)[C@@H](CN[C@@H](C)c1ccco1)NC(=O)[O-] ZINC000825484513 587321068 /nfs/dbraw/zinc/32/10/68/587321068.db2.gz IOSBRSYFRPCHIL-VHSXEESVSA-N -1 3 240.303 2.222 20 0 BEADHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccco1 ZINC000825480422 587321101 /nfs/dbraw/zinc/32/11/01/587321101.db2.gz XUFZDSAQCMMDJN-NXEZZACHSA-N -1 3 238.287 2.073 20 0 BEADHM C[C@H](NCCN(C)C(=O)[O-])c1ccccc1F ZINC000825495272 587321274 /nfs/dbraw/zinc/32/12/74/587321274.db2.gz CSFFJTHBPKBXBV-VIFPVBQESA-N -1 3 240.278 2.086 20 0 BEADHM C[C@@H](c1ccccc1)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825637728 587328733 /nfs/dbraw/zinc/32/87/33/587328733.db2.gz GJBMPBITBGTIFG-AAEUAGOBSA-N -1 3 248.326 2.432 20 0 BEADHM C/C(=C/CN1CCC[C@H]1c1ccco1)C(=O)[O-] ZINC000825742110 587335445 /nfs/dbraw/zinc/33/54/45/587335445.db2.gz VZSXLAISLSBVPL-YAEJEKNGSA-N -1 3 235.283 2.447 20 0 BEADHM C/C(=C/CN1CCC[C@@H]1c1ccco1)C(=O)[O-] ZINC000825742109 587335701 /nfs/dbraw/zinc/33/57/01/587335701.db2.gz VZSXLAISLSBVPL-SDKXAQGSSA-N -1 3 235.283 2.447 20 0 BEADHM C/C(=C\CN1CCC[C@H]1c1ccc[nH]1)C(=O)[O-] ZINC000825742012 587335784 /nfs/dbraw/zinc/33/57/84/587335784.db2.gz VCMXFJAOBFCJTG-JXPAYYINSA-N -1 3 234.299 2.183 20 0 BEADHM C/C(=C\CN1CC[C@@H]1Cc1ccccc1)C(=O)[O-] ZINC000825736219 587335828 /nfs/dbraw/zinc/33/58/28/587335828.db2.gz WJBLDFYAXXBFPE-WEKMIXOTSA-N -1 3 245.322 2.334 20 0 BEADHM C/C(=C\CN1CCc2c(C)cccc2C1)C(=O)[O-] ZINC000825747213 587336210 /nfs/dbraw/zinc/33/62/10/587336210.db2.gz QTEHJXBBOKGVGU-WUXMJOGZSA-N -1 3 245.322 2.384 20 0 BEADHM C/C(=C\c1ccccc1)CNC1CN(C(=O)[O-])C1 ZINC000825798804 587339851 /nfs/dbraw/zinc/33/98/51/587339851.db2.gz YZRFGPAMRRMDGT-YRNVUSSQSA-N -1 3 246.310 2.042 20 0 BEADHM Cc1ccnc(N[C@H](C)C(C)C)c1-c1nnn[n-]1 ZINC000826311635 587352490 /nfs/dbraw/zinc/35/24/90/587352490.db2.gz KAJQHSWNHJTPPO-SECBINFHSA-N -1 3 246.318 2.027 20 0 BEADHM Cc1ccnc(N[C@H](C)C(C)C)c1-c1nn[n-]n1 ZINC000826311635 587352491 /nfs/dbraw/zinc/35/24/91/587352491.db2.gz KAJQHSWNHJTPPO-SECBINFHSA-N -1 3 246.318 2.027 20 0 BEADHM c1cc(-c2nnn[n-]2)c(NC2CCCCC2)cn1 ZINC000826512609 587353611 /nfs/dbraw/zinc/35/36/11/587353611.db2.gz HFCIRRSBNYODRR-UHFFFAOYSA-N -1 3 244.302 2.006 20 0 BEADHM c1cc(-c2nn[n-]n2)c(NC2CCCCC2)cn1 ZINC000826512609 587353612 /nfs/dbraw/zinc/35/36/12/587353612.db2.gz HFCIRRSBNYODRR-UHFFFAOYSA-N -1 3 244.302 2.006 20 0 BEADHM CC[C@H](NC1CN(C(=O)[O-])C1)c1ccccc1 ZINC000826620913 587356700 /nfs/dbraw/zinc/35/67/00/587356700.db2.gz WINCEXZSWVAPHY-LBPRGKRZSA-N -1 3 234.299 2.090 20 0 BEADHM CCC[C@H]1C[C@H]1NCc1ccc(NC(=O)[O-])nc1 ZINC000826774254 587361889 /nfs/dbraw/zinc/36/18/89/587361889.db2.gz DXMWTQPXIOZBSD-WDEREUQCSA-N -1 3 249.314 2.450 20 0 BEADHM CC(C)(C)c1ccc(C[N-]C(=O)C(F)F)o1 ZINC000826914336 587365420 /nfs/dbraw/zinc/36/54/20/587365420.db2.gz KZRJZJXCNPEZSZ-UHFFFAOYSA-N -1 3 231.242 2.458 20 0 BEADHM [O-]c1ccc(F)c(CN[C@@H]2C=CCC2)c1F ZINC000826941895 587366307 /nfs/dbraw/zinc/36/63/07/587366307.db2.gz MEMWBQGJMVUOSS-MRVPVSSYSA-N -1 3 225.238 2.479 20 0 BEADHM 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246.357 2.473 20 0 BEADHM CCc1ccc([O-])c(C(=O)NN2CCCCC2)c1 ZINC000128562225 591124710 /nfs/dbraw/zinc/12/47/10/591124710.db2.gz NHUMSUHQWDXFND-UHFFFAOYSA-N -1 3 248.326 2.085 20 0 BEADHM CC(C)[C@@H](NC/C(Cl)=C\Cl)C(=O)[O-] ZINC000211388112 591164162 /nfs/dbraw/zinc/16/41/62/591164162.db2.gz IIYUWYIZWIEIPA-XUTFHDRNSA-N -1 3 226.103 2.004 20 0 BEADHM C[C@@H](CSCCc1nnn[n-]1)C(C)(C)C ZINC000882190704 591314213 /nfs/dbraw/zinc/31/42/13/591314213.db2.gz LZKIDUXSQKSUQV-QMMMGPOBSA-N -1 3 228.365 2.158 20 0 BEADHM C[C@@H](CSCCc1nn[n-]n1)C(C)(C)C ZINC000882190704 591314216 /nfs/dbraw/zinc/31/42/16/591314216.db2.gz LZKIDUXSQKSUQV-QMMMGPOBSA-N -1 3 228.365 2.158 20 0 BEADHM CCC[C@H](C)CCCn1c([O-])coc1=O ZINC000882276184 591324888 /nfs/dbraw/zinc/32/48/88/591324888.db2.gz DBNHRYZTJSPQGP-VIFPVBQESA-N -1 3 213.277 2.182 20 0 BEADHM CCC[C@H](C)CC[N-]S(=O)(=O)c1ccco1 ZINC000882575733 591392958 /nfs/dbraw/zinc/39/29/58/591392958.db2.gz MWZZQURFUCGKHK-JTQLQIEISA-N -1 3 245.344 2.384 20 0 BEADHM O=C([N-][C@H]1c2ccccc2CC[C@H]1F)C(F)F ZINC000882699922 591413995 /nfs/dbraw/zinc/41/39/95/591413995.db2.gz UKLUOBQBHZAKOE-ZJUUUORDSA-N -1 3 243.228 2.393 20 0 BEADHM O=C(NCc1cc([O-])ccc1Cl)NC1CC1 ZINC000883039879 591524905 /nfs/dbraw/zinc/52/49/05/591524905.db2.gz FOWCGMMHIHCLKE-UHFFFAOYSA-N -1 3 240.690 2.007 20 0 BEADHM CCC[C@H](C)OC(=O)c1cccc2nn[n-]c21 ZINC000800209389 591839931 /nfs/dbraw/zinc/83/99/31/591839931.db2.gz TWHNWQXGVOKBNA-QMMMGPOBSA-N -1 3 233.271 2.303 20 0 BEADHM CCC[C@H](C)OC(=O)c1cccc2[n-]nnc21 ZINC000800209389 591839933 /nfs/dbraw/zinc/83/99/33/591839933.db2.gz TWHNWQXGVOKBNA-QMMMGPOBSA-N -1 3 233.271 2.303 20 0 BEADHM CCC[C@H](C)OC(=O)c1cccc2n[n-]nc21 ZINC000800209389 591839935 /nfs/dbraw/zinc/83/99/35/591839935.db2.gz TWHNWQXGVOKBNA-QMMMGPOBSA-N -1 3 233.271 2.303 20 0 BEADHM CC1(C)C(C(=O)[N-]OCC(F)(F)F)C1(C)C ZINC000135213222 591997344 /nfs/dbraw/zinc/99/73/44/591997344.db2.gz JMLZBSRYWWYHSP-UHFFFAOYSA-N -1 3 239.237 2.279 20 0 BEADHM Cc1cccc(CC(=O)[N-]OCC(C)C)c1 ZINC000135336587 592008362 /nfs/dbraw/zinc/00/83/62/592008362.db2.gz JFFQISNHIYGGQL-UHFFFAOYSA-N -1 3 221.300 2.241 20 0 BEADHM CC(C)CO[N-]C(=O)CC[C@@H]1CCCCO1 ZINC000135336517 592008408 /nfs/dbraw/zinc/00/84/08/592008408.db2.gz MSDDKHKUBVYUKT-NSHDSACASA-N -1 3 229.320 2.040 20 0 BEADHM C/C(=C\C(=O)NCc1cncc([O-])c1)C(C)(C)C ZINC000886272989 592193974 /nfs/dbraw/zinc/19/39/74/592193974.db2.gz JDEVNHBKIPHWIM-BJMVGYQFSA-N -1 3 248.326 2.396 20 0 BEADHM CC[C@@H](C)CCC(=O)NCc1cncc([O-])c1 ZINC000886274895 592194632 /nfs/dbraw/zinc/19/46/32/592194632.db2.gz GXPYKTYACCBXBS-SNVBAGLBSA-N -1 3 236.315 2.230 20 0 BEADHM C[C@H]1CCC[C@H]1CC(=O)NCc1cncc([O-])c1 ZINC000886276557 592196465 /nfs/dbraw/zinc/19/64/65/592196465.db2.gz MCXPQEDEACPLRX-JQWIXIFHSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@H](C(=O)NCc1cncc([O-])c1)C1CCCC1 ZINC000886278282 592197086 /nfs/dbraw/zinc/19/70/86/592197086.db2.gz UMLIDQKCBSZWKQ-JTQLQIEISA-N -1 3 248.326 2.230 20 0 BEADHM CCC/C(C)=C\C(=O)NCc1cncc([O-])c1 ZINC000886279861 592198258 /nfs/dbraw/zinc/19/82/58/592198258.db2.gz MRWIDIVUVAPTJW-YHYXMXQVSA-N -1 3 234.299 2.150 20 0 BEADHM CCC[C@H](C)CC(=O)NCc1cncc([O-])c1 ZINC000886279776 592198600 /nfs/dbraw/zinc/19/86/00/592198600.db2.gz KHKBTYSJGIMUEY-JTQLQIEISA-N -1 3 236.315 2.230 20 0 BEADHM O=C([O-])CCC1CCN(C/C=C\Cl)CC1 ZINC000220267993 592296081 /nfs/dbraw/zinc/29/60/81/592296081.db2.gz DEEPSJUXFSJARC-BHQIHCQQSA-N -1 3 231.723 2.316 20 0 BEADHM Cc1[n-]n([C@H]2CCCSC2)c(=O)c1C1CC1 ZINC000887299052 592478757 /nfs/dbraw/zinc/47/87/57/592478757.db2.gz NWZPUTGDYXYQHM-WDEREUQCSA-N -1 3 238.356 2.126 20 0 BEADHM O=C([N-][C@@H]1C[C@@H]2CCC[C@H]12)C(F)(F)C(F)F ZINC000889598648 592625742 /nfs/dbraw/zinc/62/57/42/592625742.db2.gz YWBUOAQUHYSVOZ-LYFYHCNISA-N -1 3 239.212 2.192 20 0 BEADHM CCc1coc([N-]C(=O)c2cc(CC)on2)n1 ZINC000890403824 592696054 /nfs/dbraw/zinc/69/60/54/592696054.db2.gz LQXQQVAMHRIZPH-UHFFFAOYSA-N -1 3 235.243 2.040 20 0 BEADHM Cc1ncsc1CN(C)CCCCC(=O)[O-] ZINC000082633593 597777202 /nfs/dbraw/zinc/77/72/02/597777202.db2.gz JWHZNENQPZPZJV-UHFFFAOYSA-N -1 3 242.344 2.138 20 0 BEADHM C[C@H](NCCCCCC(=O)[O-])c1cscn1 ZINC000820141398 598094566 /nfs/dbraw/zinc/09/45/66/598094566.db2.gz BOZFYDWPDWMWFP-VIFPVBQESA-N -1 3 242.344 2.439 20 0 BEADHM C[C@@H](NCCCCC(=O)[O-])c1cscn1 ZINC000820141373 598171386 /nfs/dbraw/zinc/17/13/86/598171386.db2.gz AYBVYICCAHRFGJ-MRVPVSSYSA-N -1 3 228.317 2.049 20 0 BEADHM O=C([O-])c1cccc(CNCc2cc[nH]c2)c1 ZINC000258825674 598194121 /nfs/dbraw/zinc/19/41/21/598194121.db2.gz GQZISSFOOUORKD-UHFFFAOYSA-N -1 3 230.267 2.003 20 0 BEADHM O=C([O-])[C@@H](NC/C=C/Cl)c1ccccc1 ZINC000050510798 598200154 /nfs/dbraw/zinc/20/01/54/598200154.db2.gz FWIJFZPNZMMRRI-QBBOHKLWSA-N -1 3 225.675 2.154 20 0 BEADHM CC(C)[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000735706875 598590472 /nfs/dbraw/zinc/59/04/72/598590472.db2.gz FETXZNSIXLVKJW-QMMMGPOBSA-N -1 3 249.293 2.462 20 0 BEADHM Fc1ccc(NC2CCCC2)c(-c2nnn[n-]2)c1 ZINC000737660840 598629601 /nfs/dbraw/zinc/62/96/01/598629601.db2.gz SHJWJCNUMOYLRE-UHFFFAOYSA-N -1 3 247.277 2.360 20 0 BEADHM Fc1ccc(NC2CCCC2)c(-c2nn[n-]n2)c1 ZINC000737660840 598629603 /nfs/dbraw/zinc/62/96/03/598629603.db2.gz SHJWJCNUMOYLRE-UHFFFAOYSA-N -1 3 247.277 2.360 20 0 BEADHM CC[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000095274706 598675281 /nfs/dbraw/zinc/67/52/81/598675281.db2.gz SGSWMEITTPYXAX-SNVBAGLBSA-N -1 3 245.330 2.349 20 0 BEADHM c1cc(NCC2CCCC2)cc(-c2nnn[n-]2)c1 ZINC000050271802 607368987 /nfs/dbraw/zinc/36/89/87/607368987.db2.gz OWTZEXIXWBTOCB-UHFFFAOYSA-N -1 3 243.314 2.469 20 0 BEADHM c1cc(NCC2CCCC2)cc(-c2nn[n-]n2)c1 ZINC000050271802 607368991 /nfs/dbraw/zinc/36/89/91/607368991.db2.gz OWTZEXIXWBTOCB-UHFFFAOYSA-N -1 3 243.314 2.469 20 0 BEADHM O=C([O-])c1ccc(CN2C[C@@H]3CCC[C@H]32)s1 ZINC000706964318 602208416 /nfs/dbraw/zinc/20/84/16/602208416.db2.gz JSIINYHMYQIZPA-WCBMZHEXSA-N -1 3 237.324 2.431 20 0 BEADHM CC(C)C[C@@H](CNC(=O)[O-])NCc1ccco1 ZINC000738811873 602571127 /nfs/dbraw/zinc/57/11/27/602571127.db2.gz OSPTVZGXTZWRTL-JTQLQIEISA-N -1 3 240.303 2.052 20 0 BEADHM C[C@@H](CNC(=O)[O-])N(C)C/C=C/c1ccccc1 ZINC000738937734 603237231 /nfs/dbraw/zinc/23/72/31/603237231.db2.gz FOJPQVSRYAEDKH-LZGFCCKTSA-N -1 3 248.326 2.288 20 0 BEADHM CCCN(CC(=O)[O-])Cc1sccc1C ZINC000083411529 604474787 /nfs/dbraw/zinc/47/47/87/604474787.db2.gz UJGXDHSDWQBNBC-UHFFFAOYSA-N -1 3 227.329 2.353 20 0 BEADHM CC(C)CCNc1cccc(-c2nnn[n-]2)c1 ZINC000037102096 606438244 /nfs/dbraw/zinc/43/82/44/606438244.db2.gz MWKQVCBSHYMNHB-UHFFFAOYSA-N -1 3 231.303 2.325 20 0 BEADHM CC(C)CCNc1cccc(-c2nn[n-]n2)c1 ZINC000037102096 606438246 /nfs/dbraw/zinc/43/82/46/606438246.db2.gz MWKQVCBSHYMNHB-UHFFFAOYSA-N -1 3 231.303 2.325 20 0 BEADHM C=CCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000095129042 606784233 /nfs/dbraw/zinc/78/42/33/606784233.db2.gz ANVFWGBAYFRCLY-UHFFFAOYSA-N -1 3 236.662 2.085 20 0 BEADHM C=CCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000095129042 606784235 /nfs/dbraw/zinc/78/42/35/606784235.db2.gz ANVFWGBAYFRCLY-UHFFFAOYSA-N -1 3 236.662 2.085 20 0 BEADHM CC[C@@H](C)CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000095259544 606984574 /nfs/dbraw/zinc/98/45/74/606984574.db2.gz QEAVZPDWQBFUET-MRVPVSSYSA-N -1 3 249.293 2.464 20 0 BEADHM CC[C@@H](C)CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000095259544 606984575 /nfs/dbraw/zinc/98/45/75/606984575.db2.gz QEAVZPDWQBFUET-MRVPVSSYSA-N -1 3 249.293 2.464 20 0 BEADHM Cl/C=C\CNc1ccc(-c2nn[n-]n2)cc1 ZINC000822563422 607124166 /nfs/dbraw/zinc/12/41/66/607124166.db2.gz IMNOJHCOEMFVMG-BHQIHCQQSA-N -1 3 235.678 2.031 20 0 BEADHM C[C@@H]1CC[C@@H](Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000083829004 608867322 /nfs/dbraw/zinc/86/73/22/608867322.db2.gz YYSQUFASZXJJSH-BXKDBHETSA-N -1 3 243.314 2.467 20 0 BEADHM C[C@@H]1CC[C@@H](Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000083829004 608867326 /nfs/dbraw/zinc/86/73/26/608867326.db2.gz YYSQUFASZXJJSH-BXKDBHETSA-N -1 3 243.314 2.467 20 0 BEADHM C[C@@H](NCc1cocn1)c1cc([O-])cc(F)c1 ZINC000925870132 635580192 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2.243 20 0 BEADHM O=C(OCCO)c1cc2cc(Cl)sc2[n-]1 ZINC000811393776 644916038 /nfs/dbraw/zinc/91/60/38/644916038.db2.gz DOZAFQFPAHUJHM-UHFFFAOYSA-N -1 3 245.687 2.032 20 0 BEADHM C[C@H]1CCC[C@@H]1CC(=O)[N-]OCC1CC1 ZINC000817354349 644972907 /nfs/dbraw/zinc/97/29/07/644972907.db2.gz JXOVQYRBVMHKFD-GXSJLCMTSA-N -1 3 211.305 2.271 20 0 BEADHM CCO[N-]C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000101853851 645151311 /nfs/dbraw/zinc/15/13/11/645151311.db2.gz MCFMEQGSVFRAAJ-UHFFFAOYSA-N -1 3 232.283 2.087 20 0 BEADHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1ncccc1[O-] ZINC000867342369 645312106 /nfs/dbraw/zinc/31/21/06/645312106.db2.gz RRHYXGCTIAOOHR-UTINFBMNSA-N -1 3 232.283 2.018 20 0 BEADHM C[C@@H]1C[C@@H]1c1ccc(CN(C)CCC(=O)[O-])o1 ZINC000105980649 645373781 /nfs/dbraw/zinc/37/37/81/645373781.db2.gz WXLMZTSIVTYDDH-KOLCDFICSA-N -1 3 237.299 2.310 20 0 BEADHM Cc1noc(C(C)C)c1[N-]C(=O)c1cccnn1 ZINC000928782770 645857445 /nfs/dbraw/zinc/85/74/45/645857445.db2.gz MNBSOWWSYTXZIW-UHFFFAOYSA-N -1 3 246.270 2.149 20 0 BEADHM O=C([N-]CC[C@@H]1C[C@H]1C1CC1)C(F)(F)F ZINC000712676257 712440510 /nfs/dbraw/zinc/44/05/10/712440510.db2.gz TXOUQMKKICIYEK-SFYZADRCSA-N -1 3 221.222 2.101 20 0 BEADHM CCc1nnc([N-]C(=O)c2cc(C)co2)s1 ZINC000718530960 712771156 /nfs/dbraw/zinc/77/11/56/712771156.db2.gz XRBKZWLAFCESBG-UHFFFAOYSA-N -1 3 237.284 2.254 20 0 BEADHM Fc1cc(-c2cncs2)ccc1-c1nnn[n-]1 ZINC001241501269 1169724236 /nfs/dbraw/zinc/72/42/36/1169724236.db2.gz WSKKKZIRIYUNEH-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM Fc1cc(-c2cncs2)ccc1-c1nn[n-]n1 ZINC001241501269 1169724243 /nfs/dbraw/zinc/72/42/43/1169724243.db2.gz WSKKKZIRIYUNEH-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM C[C@@H](CCC1CC1)NCc1cc(C(=O)[O-])no1 ZINC000398468660 711410435 /nfs/dbraw/zinc/41/04/35/711410435.db2.gz MMWPOPXVIBMXIB-QMMMGPOBSA-N -1 3 238.287 2.041 20 0 BEADHM CC/C=C\CNCc1ccc(C(=O)[O-])o1 ZINC000384713141 710949927 /nfs/dbraw/zinc/94/99/27/710949927.db2.gz FBCAAQCXYBIXPJ-ARJAWSKDSA-N -1 3 209.245 2.034 20 0 BEADHM C[C@@H]1CCCN(Cc2cncc(C(=O)[O-])c2)C1 ZINC000721542038 711620156 /nfs/dbraw/zinc/62/01/56/711620156.db2.gz RLVASVYKIWUMBI-SNVBAGLBSA-N -1 3 234.299 2.012 20 0 BEADHM Cc1cc(CNCc2ccc([O-])c(F)c2)no1 ZINC000232422551 711760673 /nfs/dbraw/zinc/76/06/73/711760673.db2.gz QQAZYBMOZGZMOL-UHFFFAOYSA-N -1 3 236.246 2.118 20 0 BEADHM CSCCCCC[N-]C(=O)C(F)(F)F ZINC000229596493 711838450 /nfs/dbraw/zinc/83/84/50/711838450.db2.gz IBDMPPQAILWBIY-UHFFFAOYSA-N -1 3 229.267 2.198 20 0 BEADHM Cc1nc(N2CCC[C@@H](CCF)C2)cc(=O)[n-]1 ZINC000701711760 712027804 /nfs/dbraw/zinc/02/78/04/712027804.db2.gz DXZRCGZEVAASGW-JTQLQIEISA-N -1 3 239.294 2.067 20 0 BEADHM CC1(C)C[C@@]1(C)NCc1cc(C(=O)[O-])co1 ZINC000701951749 712033345 /nfs/dbraw/zinc/03/33/45/712033345.db2.gz TVPNGQXMZBLZPP-GFCCVEGCSA-N -1 3 223.272 2.256 20 0 BEADHM CCC(F)(F)CN1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000704749042 712114833 /nfs/dbraw/zinc/11/48/33/712114833.db2.gz UJTNMBNOKLVIIQ-AEJSXWLSSA-N -1 3 247.285 2.217 20 0 BEADHM CC(C)(C)OC1CN(C(=O)c2ccccc2[O-])C1 ZINC000707138880 712165179 /nfs/dbraw/zinc/16/51/79/712165179.db2.gz LSMNEGWCTWYQPL-UHFFFAOYSA-N -1 3 249.310 2.032 20 0 BEADHM CCC[C@H]1CCCN(c2cc(=O)[n-]cn2)C1 ZINC000708486972 712211329 /nfs/dbraw/zinc/21/13/29/712211329.db2.gz UIWLLEYNHAJXEA-JTQLQIEISA-N -1 3 221.304 2.199 20 0 BEADHM O=C([N-]OCC(F)(F)F)C12CCC(CC1)C2 ZINC000711120812 712285619 /nfs/dbraw/zinc/28/56/19/712285619.db2.gz LYUGKLCEIXIVQY-UHFFFAOYSA-N -1 3 237.221 2.177 20 0 BEADHM Cc1oc(CN2CC[C@H](CF)C2)cc1C(=O)[O-] ZINC000711489254 712306157 /nfs/dbraw/zinc/30/61/57/712306157.db2.gz JZHWEESKIVEFFJ-SECBINFHSA-N -1 3 241.262 2.078 20 0 BEADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@@H](CF)C1 ZINC000711488614 712306217 /nfs/dbraw/zinc/30/62/17/712306217.db2.gz FBCQOXXKSMMXNK-VIFPVBQESA-N -1 3 241.262 2.078 20 0 BEADHM O=C(NC[C@H]1C=CCC1)c1ccccc1[O-] ZINC000711776840 712327885 /nfs/dbraw/zinc/32/78/85/712327885.db2.gz ILWJSRYCQOBNCF-JTQLQIEISA-N -1 3 217.268 2.088 20 0 BEADHM C[C@H]1CC[C@@H](OC(=O)c2cncc([O-])c2)C1 ZINC000815209508 712588566 /nfs/dbraw/zinc/58/85/66/712588566.db2.gz YEJGNOUADMFEOC-GZMMTYOYSA-N -1 3 221.256 2.133 20 0 BEADHM Cc1ccc(C(=O)NC[C@H]2CCC=CO2)c([O-])c1 ZINC000380026336 712683220 /nfs/dbraw/zinc/68/32/20/712683220.db2.gz VHVMFHQEBQTWDF-LLVKDONJSA-N -1 3 247.294 2.123 20 0 BEADHM Cc1nonc1Nc1cc(F)c([O-])cc1F ZINC001215570968 958201912 /nfs/dbraw/zinc/20/19/12/958201912.db2.gz SFGQXNDIFUTDIT-UHFFFAOYSA-N -1 3 227.170 2.105 20 0 BEADHM CS(C)(=O)=NC(=O)c1cc2ccsc2[n-]1 ZINC001151416354 962275023 /nfs/dbraw/zinc/27/50/23/962275023.db2.gz RTUYMJFPWWJRSP-UHFFFAOYSA-N -1 3 242.325 2.097 20 0 BEADHM Cn1cncc1-c1cc(Cl)ccc1[O-] ZINC000606279214 962568513 /nfs/dbraw/zinc/56/85/13/962568513.db2.gz JZCDKJVYBQVULZ-UHFFFAOYSA-N -1 3 208.648 2.446 20 0 BEADHM [O-]c1ccc(Nc2cnccn2)c(F)c1F ZINC001211997651 964144825 /nfs/dbraw/zinc/14/48/25/964144825.db2.gz DLBFXUOPNIHMQJ-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM Cc1cc(CC(=O)NC2CC2)cc(Cl)c1[O-] ZINC001250379935 967801383 /nfs/dbraw/zinc/80/13/83/967801383.db2.gz GJBDCFFFNRUWEP-UHFFFAOYSA-N -1 3 239.702 2.175 20 0 BEADHM CC1(C)CN(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000086682747 968524491 /nfs/dbraw/zinc/52/44/91/968524491.db2.gz XXJNZPBUTNJKIM-UHFFFAOYSA-N -1 3 219.284 2.227 20 0 BEADHM CCCCC[C@H](O)CNc1ncc(F)cc1[O-] ZINC001253532724 969204340 /nfs/dbraw/zinc/20/43/40/969204340.db2.gz WZPVCFNLSMJWQM-JTQLQIEISA-N -1 3 242.294 2.279 20 0 BEADHM CC(C)(C)c1nnc([N-]c2ccnnc2)s1 ZINC001209952720 969713169 /nfs/dbraw/zinc/71/31/69/969713169.db2.gz ANZKYOXDTJSSFT-UHFFFAOYSA-N -1 3 235.316 2.369 20 0 BEADHM COc1cccc([O-])c1C(=O)NC/C=C\C1CC1 ZINC000405379544 1166886979 /nfs/dbraw/zinc/88/69/79/1166886979.db2.gz CPSOHDFUNJSKSX-ARJAWSKDSA-N -1 3 247.294 2.097 20 0 BEADHM CO[C@H](C)COc1cccc([O-])c1Cl ZINC001226708486 975038493 /nfs/dbraw/zinc/03/84/93/975038493.db2.gz GEZGRYUXASMGLV-SSDOTTSWSA-N -1 3 216.664 2.459 20 0 BEADHM Cc1cccc(C)c1NC(=O)c1cc(=O)[n-]cn1 ZINC000585357029 1167031844 /nfs/dbraw/zinc/03/18/44/1167031844.db2.gz NYVVZIONBSZUJO-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM CC(C)(C)O[N-]C(=O)Cc1ccsc1 ZINC000134232680 1167143851 /nfs/dbraw/zinc/14/38/51/1167143851.db2.gz WLEOEAVVWRKEOK-UHFFFAOYSA-N -1 3 213.302 2.137 20 0 BEADHM C[C@@H]1CCC[C@@H](C)C1Oc1cc(=O)[n-]cn1 ZINC001226945382 1167200290 /nfs/dbraw/zinc/20/02/90/1167200290.db2.gz TVIHQOWEEDHLAP-RKDXNWHRSA-N -1 3 222.288 2.386 20 0 BEADHM C=Cc1c[n-]c(=O)nc1O[C@@H](C)C(C)C ZINC001227714240 975636712 /nfs/dbraw/zinc/63/67/12/975636712.db2.gz UUGYCSSVVXAKGA-QMMMGPOBSA-N -1 3 208.261 2.249 20 0 BEADHM [O-]c1cc(CN2CCC[C@@H]2CO)ccc1Cl ZINC001231732385 977718834 /nfs/dbraw/zinc/71/88/34/977718834.db2.gz ZDDJHLYUKVKOEQ-SNVBAGLBSA-N -1 3 241.718 2.002 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@H]2CC=CCC2)n1 ZINC001336526988 977749448 /nfs/dbraw/zinc/74/94/48/977749448.db2.gz BWOOLAKNODLBBP-VIFPVBQESA-N -1 3 205.261 2.011 20 0 BEADHM [O-]c1cnc(Cl)cc1CN1CC2(CCC2)C1 ZINC001233033038 978419431 /nfs/dbraw/zinc/41/94/31/978419431.db2.gz YCAFHYJFJXVBQO-UHFFFAOYSA-N -1 3 238.718 2.427 20 0 BEADHM [O-]c1cccc(CN2CCC[C@@H](F)C2)c1F ZINC001233052689 978445607 /nfs/dbraw/zinc/44/56/07/978445607.db2.gz SPJUJTYMDRZAKJ-SNVBAGLBSA-N -1 3 227.254 2.465 20 0 BEADHM CC[C@@H](CSC)Nc1nc(C)cc(=O)[n-]1 ZINC001337818659 978512180 /nfs/dbraw/zinc/51/21/80/978512180.db2.gz CYZAIPJQUDNEDD-QMMMGPOBSA-N -1 3 227.333 2.044 20 0 BEADHM CC(C)N1CC(Oc2nc3ccsc3[n-]2)C1 ZINC001234852448 978917550 /nfs/dbraw/zinc/91/75/50/978917550.db2.gz WGFALMYBMHQXIS-UHFFFAOYSA-N -1 3 237.328 2.096 20 0 BEADHM CC(C)N1CC(Oc2nc3sccc3[n-]2)C1 ZINC001234852448 978917566 /nfs/dbraw/zinc/91/75/66/978917566.db2.gz WGFALMYBMHQXIS-UHFFFAOYSA-N -1 3 237.328 2.096 20 0 BEADHM O=C([O-])c1ccc(CN(C2CC2)C2CC2)o1 ZINC001602335007 979103101 /nfs/dbraw/zinc/10/31/01/979103101.db2.gz QJCACCRITDNUJA-UHFFFAOYSA-N -1 3 221.256 2.105 20 0 BEADHM C[C@H](N[C@@H]1CC[C@H](C(=O)[O-])C1)c1nccs1 ZINC001603255506 979417661 /nfs/dbraw/zinc/41/76/61/979417661.db2.gz NNMUIPRTZWCXLT-XHNCKOQMSA-N -1 3 240.328 2.047 20 0 BEADHM CN(CCCC(=O)[O-])Cc1cccc(Cl)n1 ZINC001604167364 979588425 /nfs/dbraw/zinc/58/84/25/979588425.db2.gz KZCPSLWKWSWFGC-UHFFFAOYSA-N -1 3 242.706 2.032 20 0 BEADHM C[C@@H](N[C@@H]1C=CCC1)c1cc(C(=O)[O-])co1 ZINC001604324379 979616064 /nfs/dbraw/zinc/61/60/64/979616064.db2.gz INWVFXWDBMPKIE-PSASIEDQSA-N -1 3 221.256 2.347 20 0 BEADHM C[C@H]1C[C@H](C)N1Cc1ccc(C(=O)[O-])s1 ZINC001604666015 979695998 /nfs/dbraw/zinc/69/59/98/979695998.db2.gz WUPNWFKHTPALOS-YUMQZZPRSA-N -1 3 225.313 2.429 20 0 BEADHM [S-]c1ccoc1CN1CC2(C1)CCCCO2 ZINC001237183294 979832776 /nfs/dbraw/zinc/83/27/76/979832776.db2.gz ZBJOZFPKDUBTLS-UHFFFAOYSA-N -1 3 239.340 2.323 20 0 BEADHM Cc1cc(-c2ccc(N)nc2)cc([O-])c1F ZINC001244516266 1168558959 /nfs/dbraw/zinc/55/89/59/1168558959.db2.gz QSPFUTATZMCNIQ-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM CCCCOC(=O)Nc1nc(C)ccc1[O-] ZINC001193669003 981404685 /nfs/dbraw/zinc/40/46/85/981404685.db2.gz GLQREAAAABEFDJ-UHFFFAOYSA-N -1 3 224.260 2.444 20 0 BEADHM CC(C)(C)c1nsc([N-]c2ncc[nH]2)n1 ZINC001176080318 1168702251 /nfs/dbraw/zinc/70/22/51/1168702251.db2.gz SXHZMOJUDUNARO-UHFFFAOYSA-N -1 3 223.305 2.302 20 0 BEADHM COc1cncnc1-c1ccc(C)cc1[O-] ZINC001241027567 982119604 /nfs/dbraw/zinc/11/96/04/982119604.db2.gz BOWPHHDEVGFBIW-UHFFFAOYSA-N -1 3 216.240 2.166 20 0 BEADHM CC(C)CO[N-]C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001352918142 982635412 /nfs/dbraw/zinc/63/54/12/982635412.db2.gz XCNBYFCDCBXBEX-NSHDSACASA-N -1 3 243.347 2.286 20 0 BEADHM CC(C)(C)O[N-]C(=O)C[C@@H]1CC(C)(C)CO1 ZINC000717002546 983149301 /nfs/dbraw/zinc/14/93/01/983149301.db2.gz LSIOIMKIDMRANC-SECBINFHSA-N -1 3 229.320 2.038 20 0 BEADHM CCOc1cc(C)c(-c2nn[n-]n2)c(C)c1C ZINC000095281942 1169022257 /nfs/dbraw/zinc/02/22/57/1169022257.db2.gz RIXCBYMWEOWPJE-UHFFFAOYSA-N -1 3 232.287 2.191 20 0 BEADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000095342228 1169025162 /nfs/dbraw/zinc/02/51/62/1169025162.db2.gz HQQSNAAKEUIPEB-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000095342228 1169025170 /nfs/dbraw/zinc/02/51/70/1169025170.db2.gz HQQSNAAKEUIPEB-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM CC[C@@H]([NH2+][C@@H](C)c1cccc([O-])c1F)C(=O)[O-] ZINC001593606853 983314999 /nfs/dbraw/zinc/31/49/99/983314999.db2.gz ASJHPWKCXDNINF-IONNQARKSA-N -1 3 241.262 2.045 20 0 BEADHM CCCO[N-]C(=O)Cc1c(F)cccc1Cl ZINC000686765097 1169112214 /nfs/dbraw/zinc/11/22/14/1169112214.db2.gz DSKJNBYGAFZWTN-UHFFFAOYSA-N -1 3 245.681 2.479 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@@H]1CCC[C@@H]1C ZINC001226070948 974774614 /nfs/dbraw/zinc/77/46/14/974774614.db2.gz JJHWHHZXYLRACV-IONNQARKSA-N -1 3 208.261 2.058 20 0 BEADHM CCOc1ccc(Nc2cnc[n-]c2=O)c(C)n1 ZINC001215578239 970792931 /nfs/dbraw/zinc/79/29/31/970792931.db2.gz BSAWGIQONHIVNS-UHFFFAOYSA-N -1 3 246.270 2.028 20 0 BEADHM CCOc1ccc(-c2cccc([O-])c2F)nn1 ZINC001243544755 970795811 /nfs/dbraw/zinc/79/58/11/970795811.db2.gz WQZQZSVUGLMZNM-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM [O-]c1cc(-c2ncc3c(n2)CNC3)ccc1Cl ZINC001243576625 970816291 /nfs/dbraw/zinc/81/62/91/970816291.db2.gz QMHLGCINYKTGJG-UHFFFAOYSA-N -1 3 247.685 2.106 20 0 BEADHM COc1cccc([N-]c2nnc(C)o2)c1C ZINC001215797185 970848461 /nfs/dbraw/zinc/84/84/61/970848461.db2.gz RZWIXMARWVHQQU-UHFFFAOYSA-N -1 3 219.244 2.439 20 0 BEADHM [O-]c1ccc(-c2ccc3nccn3n2)c(F)c1 ZINC001206057720 970867539 /nfs/dbraw/zinc/86/75/39/970867539.db2.gz LAWOPUUTOMCWMZ-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM CCc1cc(Nc2cnc[n-]c2=O)ccc1N ZINC001216037386 970909559 /nfs/dbraw/zinc/90/95/59/970909559.db2.gz HTKOQAFICWMALX-UHFFFAOYSA-N -1 3 230.271 2.070 20 0 BEADHM C[C@H]1C[C@H]1c1nnc(-c2cc(Cl)n[n-]2)o1 ZINC001256717555 970934614 /nfs/dbraw/zinc/93/46/14/970934614.db2.gz HRNUYSAEFRQZLG-CRCLSJGQSA-N -1 3 224.651 2.237 20 0 BEADHM Cc1ccc([O-])c(-c2nnc([C@@H]3C[C@@H]3C)o2)n1 ZINC001256725561 970946887 /nfs/dbraw/zinc/94/68/87/970946887.db2.gz GHASHZNWNWWEFY-POYBYMJQSA-N -1 3 231.255 2.269 20 0 BEADHM CNc1cc(F)cc([N-]c2nnc(C)o2)c1 ZINC001216184507 970967551 /nfs/dbraw/zinc/96/75/51/970967551.db2.gz TUZJNCISLRPFLY-UHFFFAOYSA-N -1 3 222.223 2.302 20 0 BEADHM Cc1ncc(Nc2cncc(F)c2C)c(=O)[n-]1 ZINC001216191870 970972075 /nfs/dbraw/zinc/97/20/75/970972075.db2.gz IJPMJDNQDUMDDD-UHFFFAOYSA-N -1 3 234.234 2.077 20 0 BEADHM CC(C)(C)c1csc(CNCCC(=O)[O-])n1 ZINC000087392997 1169493923 /nfs/dbraw/zinc/49/39/23/1169493923.db2.gz HJLSBXOJUJBGTH-UHFFFAOYSA-N -1 3 242.344 2.005 20 0 BEADHM Cc1nnc([N-]c2cccc(O)c2C)o1 ZINC001216317160 971033007 /nfs/dbraw/zinc/03/30/07/971033007.db2.gz KSPAIJBZURZKPN-UHFFFAOYSA-N -1 3 205.217 2.136 20 0 BEADHM NC(=O)c1cncc(-c2c([O-])cccc2Cl)c1 ZINC001244051303 971086776 /nfs/dbraw/zinc/08/67/76/971086776.db2.gz UOEMEQFLPIZCHK-UHFFFAOYSA-N -1 3 248.669 2.207 20 0 BEADHM CC(C)Oc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000095200783 944614777 /nfs/dbraw/zinc/61/47/77/944614777.db2.gz GYVSQOFCTQAXQQ-UHFFFAOYSA-N -1 3 238.678 2.307 20 0 BEADHM CC(C)Oc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000095200783 944614783 /nfs/dbraw/zinc/61/47/83/944614783.db2.gz GYVSQOFCTQAXQQ-UHFFFAOYSA-N -1 3 238.678 2.307 20 0 BEADHM COc1cccc([O-])c1C(=O)N[C@H]1CCC[C@@H]1C ZINC000405293784 971231634 /nfs/dbraw/zinc/23/16/34/971231634.db2.gz MPSCEXDANXHRGA-UWVGGRQHSA-N -1 3 249.310 2.319 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CCC[C@@H]1C ZINC000405331962 971238454 /nfs/dbraw/zinc/23/84/54/971238454.db2.gz XCZMOSJOLUEMBW-VIFPVBQESA-N -1 3 235.283 2.025 20 0 BEADHM CCCN(CC)C(=O)c1c([O-])cccc1OC ZINC000405462885 971257986 /nfs/dbraw/zinc/25/79/86/971257986.db2.gz IZUZGUOUGXXAQX-UHFFFAOYSA-N -1 3 237.299 2.273 20 0 BEADHM COc1cccc([O-])c1C(=O)N[C@H]1CC=CCC1 ZINC000405489653 971263729 /nfs/dbraw/zinc/26/37/29/971263729.db2.gz OXPRRBPDCQDQQN-JTQLQIEISA-N -1 3 247.294 2.239 20 0 BEADHM Cc1cc(-c2ncccc2C(N)=O)cc([O-])c1F ZINC001244495750 971302646 /nfs/dbraw/zinc/30/26/46/971302646.db2.gz IXYHJSLLNIEHDL-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM CCOc1ccc(NCc2ncccc2[O-])nc1 ZINC001158773698 971452900 /nfs/dbraw/zinc/45/29/00/971452900.db2.gz ABNBCEQJVWQEKE-UHFFFAOYSA-N -1 3 245.282 2.193 20 0 BEADHM CC(=O)c1cc(-c2nnc(CC(C)(C)C)o2)[n-]n1 ZINC001257835459 971501984 /nfs/dbraw/zinc/50/19/84/971501984.db2.gz XZFPNUYGHXECLU-UHFFFAOYSA-N -1 3 248.286 2.251 20 0 BEADHM CC(C)C1(NCc2nc(C(=O)[O-])cs2)CC1 ZINC000379729186 971657373 /nfs/dbraw/zinc/65/73/73/971657373.db2.gz GTOFIJIQEOSGAH-UHFFFAOYSA-N -1 3 240.328 2.120 20 0 BEADHM CC(C)n1cc(-c2ccc([O-])cc2F)cnc1=O ZINC001206081305 971730889 /nfs/dbraw/zinc/73/08/89/971730889.db2.gz WWWSLQASEFNIRD-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM CCC=CNc1ccc2[n-]c(C(=O)OC)nc2n1 ZINC001170767095 971764964 /nfs/dbraw/zinc/76/49/64/971764964.db2.gz LBILKRUDTRTYEE-QPJJXVBHSA-N -1 3 246.270 2.080 20 0 BEADHM CCC=CNc1ccc2nc(C(=O)OC)nc-2[n-]1 ZINC001170767095 971764974 /nfs/dbraw/zinc/76/49/74/971764974.db2.gz LBILKRUDTRTYEE-QPJJXVBHSA-N -1 3 246.270 2.080 20 0 BEADHM CCC=CNc1ccc2nc(C(=O)OC)[n-]c2n1 ZINC001170767095 971764981 /nfs/dbraw/zinc/76/49/81/971764981.db2.gz LBILKRUDTRTYEE-QPJJXVBHSA-N -1 3 246.270 2.080 20 0 BEADHM CC[C@@H](CSC)NCc1cc(C(=O)[O-])co1 ZINC000217328190 971788793 /nfs/dbraw/zinc/78/87/93/971788793.db2.gz FLDHLYPAKMONHU-VIFPVBQESA-N -1 3 243.328 2.209 20 0 BEADHM C[C@@H](Oc1nc(=O)[n-]cc1C(F)(F)F)C1CC1 ZINC001225579420 974562976 /nfs/dbraw/zinc/56/29/76/974562976.db2.gz LTILFKZJTQYWKQ-RXMQYKEDSA-N -1 3 248.204 2.378 20 0 BEADHM COC(=O)c1ncccc1-c1c([O-])cccc1F ZINC001245653431 971941950 /nfs/dbraw/zinc/94/19/50/971941950.db2.gz MRGMUBSCUDHJKK-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM Cc1cc([N-]C(=O)c2onc3ccccc32)no1 ZINC001135989964 972017634 /nfs/dbraw/zinc/01/76/34/972017634.db2.gz DWFGSXTZHBLVRB-UHFFFAOYSA-N -1 3 243.222 2.377 20 0 BEADHM C[C@@H]1CCC[C@H](C)N1Cc1cc(C(=O)[O-])no1 ZINC000042416958 957413869 /nfs/dbraw/zinc/41/38/69/957413869.db2.gz DUUMYVNOSAHXQF-DTORHVGOSA-N -1 3 238.287 2.136 20 0 BEADHM Nc1cccc2c1cnn2-c1ccc(F)cc1[O-] ZINC001210018744 957606299 /nfs/dbraw/zinc/60/62/99/957606299.db2.gz RWTQPXZFEOUYTG-UHFFFAOYSA-N -1 3 243.241 2.452 20 0 BEADHM Nc1cnncc1Nc1cccc(Cl)c1[O-] ZINC001210218000 957680551 /nfs/dbraw/zinc/68/05/51/957680551.db2.gz AAYQQRIMKQVJEQ-UHFFFAOYSA-N -1 3 236.662 2.161 20 0 BEADHM Cc1cc([N-]c2onc(C)c2C(N)=O)c(C)o1 ZINC001210278914 957707229 /nfs/dbraw/zinc/70/72/29/957707229.db2.gz AFPFESXAYXNWCE-UHFFFAOYSA-N -1 3 235.243 2.035 20 0 BEADHM Nc1cncc(Nc2cc([O-])c(F)cc2F)c1 ZINC001210438531 957749659 /nfs/dbraw/zinc/74/96/59/957749659.db2.gz DCLHVWPNXIVLCP-UHFFFAOYSA-N -1 3 237.209 2.391 20 0 BEADHM Cc1nc(Nc2ccc([C@H](C)O)cc2)cc(=O)[n-]1 ZINC001210640827 957838081 /nfs/dbraw/zinc/83/80/81/957838081.db2.gz LKRQWGOLTCWVMK-QMMMGPOBSA-N -1 3 245.282 2.288 20 0 BEADHM Cc1ccc(CO)cc1Nc1cc(=O)[n-]c(C)n1 ZINC001210681550 957851709 /nfs/dbraw/zinc/85/17/09/957851709.db2.gz GGMDZCSYTJCZRD-UHFFFAOYSA-N -1 3 245.282 2.035 20 0 BEADHM Clc1ccncc1[N-]c1cnns1 ZINC001211210320 958063094 /nfs/dbraw/zinc/06/30/94/958063094.db2.gz WXYXEQRVNFUUFB-UHFFFAOYSA-N -1 3 212.665 2.330 20 0 BEADHM CC(=O)c1nn(C)cc1Nc1ccc(F)c([O-])c1 ZINC001211214827 958069091 /nfs/dbraw/zinc/06/90/91/958069091.db2.gz GNTLHXBHGAPYKA-UHFFFAOYSA-N -1 3 249.245 2.211 20 0 BEADHM Cc1cnc(=S)[n-]c1O[C@H]1CCO[C@@H](C)C1 ZINC001225741551 974665598 /nfs/dbraw/zinc/66/55/98/974665598.db2.gz XKMYQZAVOPPGJT-IUCAKERBSA-N -1 3 240.328 2.020 20 0 BEADHM CC(C)(C)C1CN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000094556486 958294923 /nfs/dbraw/zinc/29/49/23/958294923.db2.gz GQXIXPMAOJIWOC-UHFFFAOYSA-N -1 3 237.299 2.456 20 0 BEADHM CC[C@H]1CCCCN1c1cc(=O)[n-]c(C)n1 ZINC000891395236 958323531 /nfs/dbraw/zinc/32/35/31/958323531.db2.gz WSRQAOGSWPCROZ-JTQLQIEISA-N -1 3 221.304 2.260 20 0 BEADHM CCN(C)C(=O)c1c([O-])c(C)nc2ccccc21 ZINC001149190296 972345031 /nfs/dbraw/zinc/34/50/31/972345031.db2.gz HYCHLMQMBXPNQR-UHFFFAOYSA-N -1 3 244.294 2.341 20 0 BEADHM COc1nonc1[N-]c1cc(C)cc(C)c1N ZINC001216095590 958540841 /nfs/dbraw/zinc/54/08/41/958540841.db2.gz BDPFQNHXZRTBSP-UHFFFAOYSA-N -1 3 234.259 2.021 20 0 BEADHM Cc1ncc(Nc2cccc(O)c2C)c(=O)[n-]1 ZINC001216319913 958840659 /nfs/dbraw/zinc/84/06/59/958840659.db2.gz FRENHKITCJFWCW-UHFFFAOYSA-N -1 3 231.255 2.248 20 0 BEADHM COc1cccc([O-])c1C(=O)N[C@H](C)C1CCC1 ZINC000405307111 959430161 /nfs/dbraw/zinc/43/01/61/959430161.db2.gz YGGRNOFKPSJMTK-SECBINFHSA-N -1 3 249.310 2.319 20 0 BEADHM CCCOC(=O)Nc1ccc([O-])c(F)c1 ZINC000308798219 959501696 /nfs/dbraw/zinc/50/16/96/959501696.db2.gz CZCGVXZOTDYZCX-UHFFFAOYSA-N -1 3 213.208 2.490 20 0 BEADHM CCC(=O)C(=O)Nc1cc2ccccc2cc1[O-] ZINC001143960292 972436186 /nfs/dbraw/zinc/43/61/86/972436186.db2.gz FTFVPLVXBGVDRJ-UHFFFAOYSA-N -1 3 243.262 2.463 20 0 BEADHM COc1cnc(-c2cc(C)c(F)c([O-])c2)nc1 ZINC001244495178 1169768922 /nfs/dbraw/zinc/76/89/22/1169768922.db2.gz DQKLJBXWDUMTEM-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM Cc1cc(-c2ncnc3[nH]cnc32)cc([O-])c1F ZINC001244495672 1169772671 /nfs/dbraw/zinc/77/26/71/1169772671.db2.gz HLNVFXIDMRZFBZ-UHFFFAOYSA-N -1 3 244.229 2.173 20 0 BEADHM O=C(CC1CCC1)[N-]OCCC(F)(F)F ZINC000162789531 959944765 /nfs/dbraw/zinc/94/47/65/959944765.db2.gz RMUIDWYKWPYVCQ-UHFFFAOYSA-N -1 3 225.210 2.177 20 0 BEADHM CSC[C@@H](C)NCc1cc(C)c(C(=O)[O-])o1 ZINC000235031831 960382731 /nfs/dbraw/zinc/38/27/31/960382731.db2.gz QVCROYBKPOLGOJ-MRVPVSSYSA-N -1 3 243.328 2.127 20 0 BEADHM C[C@@H](NCc1cc(C(=O)[O-])co1)[C@H]1CC1(F)F ZINC001353915650 960582228 /nfs/dbraw/zinc/58/22/28/960582228.db2.gz MGGYDOQRASYHPA-HZGVNTEJSA-N -1 3 245.225 2.111 20 0 BEADHM CCCC[C@@H](CC)Oc1[n-]c(=O)nnc1C ZINC001226461722 963207557 /nfs/dbraw/zinc/20/75/57/963207557.db2.gz UQSQLWYDRHADDY-SECBINFHSA-N -1 3 225.292 2.233 20 0 BEADHM O=C1CC(Oc2cccc([O-])c2Cl)C1 ZINC001226709760 963309715 /nfs/dbraw/zinc/30/97/15/963309715.db2.gz RJPIPNDIQZKCGM-UHFFFAOYSA-N -1 3 212.632 2.156 20 0 BEADHM CC1(C)CO[C@H](CC(=O)[N-]OC2CCCC2)C1 ZINC000897307405 963595713 /nfs/dbraw/zinc/59/57/13/963595713.db2.gz NVVLHHLXZNMUCP-LLVKDONJSA-N -1 3 241.331 2.182 20 0 BEADHM CCOc1cccc(NCc2ncccc2[O-])n1 ZINC001158774554 963925395 /nfs/dbraw/zinc/92/53/95/963925395.db2.gz NLFPSTQBPLQIHZ-UHFFFAOYSA-N -1 3 245.282 2.193 20 0 BEADHM Cc1cccc(Nc2cc(=O)[n-]c(C)n2)c1 ZINC000168506204 964143686 /nfs/dbraw/zinc/14/36/86/964143686.db2.gz ZIASPMWQTYFPOT-UHFFFAOYSA-N -1 3 215.256 2.130 20 0 BEADHM Cn1c(Nc2cnc[n-]c2=O)cc2ccccc21 ZINC001212044620 964171938 /nfs/dbraw/zinc/17/19/38/964171938.db2.gz LXOKPJACBDMHMM-UHFFFAOYSA-N -1 3 240.266 2.418 20 0 BEADHM CCc1cccc(CC)c1NC(=O)c1cnn[n-]1 ZINC000093676660 964178887 /nfs/dbraw/zinc/17/88/87/964178887.db2.gz PLUSYBZQKJCHTE-UHFFFAOYSA-N -1 3 244.298 2.182 20 0 BEADHM CCc1cccc(CC)c1NC(=O)c1c[n-]nn1 ZINC000093676660 964178892 /nfs/dbraw/zinc/17/88/92/964178892.db2.gz PLUSYBZQKJCHTE-UHFFFAOYSA-N -1 3 244.298 2.182 20 0 BEADHM CCc1cccc(CC)c1NC(=O)c1cn[n-]n1 ZINC000093676660 964178901 /nfs/dbraw/zinc/17/89/01/964178901.db2.gz PLUSYBZQKJCHTE-UHFFFAOYSA-N -1 3 244.298 2.182 20 0 BEADHM CC(C)(C)O[N-]C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC001161021144 964484009 /nfs/dbraw/zinc/48/40/09/964484009.db2.gz LFHIQKWJWANYCY-PHDIDXHHSA-N -1 3 225.210 2.031 20 0 BEADHM CN(C)C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001163572242 965451058 /nfs/dbraw/zinc/45/10/58/965451058.db2.gz HLDHUGCOHYLRBN-UHFFFAOYSA-N -1 3 239.678 2.030 20 0 BEADHM Cc1ccc(C)c(NCCCc2c[n-][nH]c2=O)c1 ZINC001164375208 965864500 /nfs/dbraw/zinc/86/45/00/965864500.db2.gz RPWMGOQSDRHTKY-GFCCVEGCSA-N -1 3 245.326 2.227 20 0 BEADHM C=Cc1cccc(NCCCc2c[n-][nH]c2=O)c1 ZINC001164374469 965865629 /nfs/dbraw/zinc/86/56/29/965865629.db2.gz LYBTVNALQUGEMX-GFCCVEGCSA-N -1 3 243.310 2.254 20 0 BEADHM O=c1[nH][n-]cc1CCCNc1ccc(CF)cc1 ZINC001164375883 965867569 /nfs/dbraw/zinc/86/75/69/965867569.db2.gz WRSYQYUYCNAKLJ-NSHDSACASA-N -1 3 249.289 2.080 20 0 BEADHM Cc1ccc(O)cc1Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001214341115 966485970 /nfs/dbraw/zinc/48/59/70/966485970.db2.gz NNPCQUZZUIZZNI-UHFFFAOYSA-N -1 3 249.295 2.229 20 0 BEADHM O=C([N-][C@@H](c1ncccc1F)C1CC1)C(F)F ZINC001142792299 966533845 /nfs/dbraw/zinc/53/38/45/966533845.db2.gz QJXOVVAFOAKEJY-MRVPVSSYSA-N -1 3 244.216 2.053 20 0 BEADHM Nc1ccc(Nc2cnc[n-]c2=O)c(Cl)c1 ZINC001249730061 967035830 /nfs/dbraw/zinc/03/58/30/967035830.db2.gz CLDHWQBZBJFYHN-UHFFFAOYSA-N -1 3 236.662 2.161 20 0 BEADHM Nc1ncccc1Nc1ccc(F)c(F)c1[O-] ZINC001212406331 967070611 /nfs/dbraw/zinc/07/06/11/967070611.db2.gz ZVBHLNXRYREZDU-UHFFFAOYSA-N -1 3 237.209 2.391 20 0 BEADHM COC(=O)CCCc1cc([O-])cc(F)c1 ZINC001250145163 967431230 /nfs/dbraw/zinc/43/12/30/967431230.db2.gz IJVZCHMQVKGYDJ-UHFFFAOYSA-N -1 3 212.220 2.027 20 0 BEADHM Cc1ccc2nccc(NCCC(=O)[O-])c2c1 ZINC000073738610 967558861 /nfs/dbraw/zinc/55/88/61/967558861.db2.gz SCHULMNSRKYGGJ-UHFFFAOYSA-N -1 3 230.267 2.430 20 0 BEADHM [O-]c1ccc(F)c(CCn2ccnc2)c1F ZINC001250316351 967678453 /nfs/dbraw/zinc/67/84/53/967678453.db2.gz KLDSJZMABSWKMQ-UHFFFAOYSA-N -1 3 224.210 2.110 20 0 BEADHM Cc1cc(Cc2ccc(F)c([O-])c2)n(C)n1 ZINC001250419813 967830600 /nfs/dbraw/zinc/83/06/00/967830600.db2.gz LQFKCXPGJOYISF-UHFFFAOYSA-N -1 3 220.247 2.164 20 0 BEADHM C[C@H]1[C@@H](O)CCN1Cc1cccc([O-])c1Cl ZINC001205821852 967838455 /nfs/dbraw/zinc/83/84/55/967838455.db2.gz JJBDHMMCRZMXNN-WPRPVWTQSA-N -1 3 241.718 2.001 20 0 BEADHM Nc1ccc2c(cnn2-c2cccc([O-])c2F)c1 ZINC001212549415 967867468 /nfs/dbraw/zinc/86/74/68/967867468.db2.gz MDXXEUBSZLJZOY-UHFFFAOYSA-N -1 3 243.241 2.452 20 0 BEADHM CN(C)c1cc(-c2ccc([O-])cc2F)ncn1 ZINC001206021031 967972706 /nfs/dbraw/zinc/97/27/06/967972706.db2.gz CLLNXXDCUVEKKH-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM O=C1Cc2ccnc(-c3ccc([O-])cc3F)c2N1 ZINC001206030440 967990365 /nfs/dbraw/zinc/99/03/65/967990365.db2.gz WXALOQKOEIYRGC-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM CCOc1nccc(-c2ccc([O-])cc2F)n1 ZINC001206029476 967992969 /nfs/dbraw/zinc/99/29/69/967992969.db2.gz BBTCJEPNKGTSKX-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM Cc1ccc(C(N)=O)c(-c2ccc([O-])cc2F)n1 ZINC001206037682 967999590 /nfs/dbraw/zinc/99/95/90/967999590.db2.gz KZEMZAXUUWLZMK-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM [O-]c1ccc(-c2cc3c(nn2)CCC3)c(F)c1 ZINC001206045061 968005923 /nfs/dbraw/zinc/00/59/23/968005923.db2.gz YMJQNJDYESUCHG-UHFFFAOYSA-N -1 3 230.242 2.477 20 0 BEADHM NC(=S)c1ccnc(-c2ccc([O-])cc2F)c1 ZINC001206044051 968009694 /nfs/dbraw/zinc/00/96/94/968009694.db2.gz CHGALILZUXKORS-UHFFFAOYSA-N -1 3 248.282 2.228 20 0 BEADHM O=C1NCc2cccc(-c3ccc([O-])cc3F)c21 ZINC001206051054 968019872 /nfs/dbraw/zinc/01/98/72/968019872.db2.gz GDGURTLRLQALCF-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM Cn1ccc2nc(-c3ccc([O-])cc3F)cnc21 ZINC001206057887 968026143 /nfs/dbraw/zinc/02/61/43/968026143.db2.gz TWJUQLDNMJWPDS-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM NC(=O)c1ccc(F)c(-c2ccc([O-])cc2F)c1 ZINC001206072805 968039389 /nfs/dbraw/zinc/03/93/89/968039389.db2.gz HFUPDMDJBNBPDZ-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM CC(C)n1cc(-c2ccc([O-])cc2F)ncc1=O ZINC001206080676 968049176 /nfs/dbraw/zinc/04/91/76/968049176.db2.gz OUZJIDYIRUQHMZ-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM Cc1cc(-c2ccc([O-])cc2F)c(=O)n(C)c1 ZINC001206087480 968055758 /nfs/dbraw/zinc/05/57/58/968055758.db2.gz CHUNRKKKRNDYMV-UHFFFAOYSA-N -1 3 233.242 2.205 20 0 BEADHM CCOC(=O)c1nc2cc3c(cc2[n-]1)CCC3 ZINC001250550166 968056000 /nfs/dbraw/zinc/05/60/00/968056000.db2.gz QUCIFVIHQBAQGU-UHFFFAOYSA-N -1 3 230.267 2.228 20 0 BEADHM O=C([O-])[C@H]1C[C@H](NCc2cscc2Cl)C1 ZINC001119611588 968435204 /nfs/dbraw/zinc/43/52/04/968435204.db2.gz IXTXCRHUXPUMTI-FKQCQYRASA-N -1 3 245.731 2.354 20 0 BEADHM Cn1cc(-c2ccc([O-])c(F)c2)cc(F)c1=O ZINC001240790596 968690019 /nfs/dbraw/zinc/69/00/19/968690019.db2.gz PXKZKFGDYARWJT-UHFFFAOYSA-N -1 3 237.205 2.036 20 0 BEADHM CCC[C@@H](O)CNc1ccc([O-])c(F)c1F ZINC001252788473 968965832 /nfs/dbraw/zinc/96/58/32/968965832.db2.gz YRNCQUAETUALQN-SSDOTTSWSA-N -1 3 231.242 2.243 20 0 BEADHM CCC[C@H](O)CNc1cc(F)c([O-])c(F)c1 ZINC001252792854 968973911 /nfs/dbraw/zinc/97/39/11/968973911.db2.gz KPDIYUFQAAVHQS-QMMMGPOBSA-N -1 3 231.242 2.243 20 0 BEADHM Fc1cc(-c2cscn2)cc(-c2nnn[n-]2)c1 ZINC001241892361 969133299 /nfs/dbraw/zinc/13/32/99/969133299.db2.gz RYXONINEHBYSAQ-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM Fc1cc(-c2cscn2)cc(-c2nn[n-]n2)c1 ZINC001241892361 969133306 /nfs/dbraw/zinc/13/33/06/969133306.db2.gz RYXONINEHBYSAQ-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM O=C1Cc2c(cncc2-c2ccc(F)cc2[O-])N1 ZINC001242219368 969351494 /nfs/dbraw/zinc/35/14/94/969351494.db2.gz QGNQSDMWKXDCPN-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM [O-]c1cc(F)ccc1-c1cnc(N2CCC2)nc1 ZINC001242220538 969379382 /nfs/dbraw/zinc/37/93/82/969379382.db2.gz COMYFRVLEAXFKX-UHFFFAOYSA-N -1 3 245.257 2.198 20 0 BEADHM CC(C)[C@H](O)CNc1cc(F)c([O-])cc1F ZINC001253772563 969393650 /nfs/dbraw/zinc/39/36/50/969393650.db2.gz JGCDGQCSZNGSDC-LLVKDONJSA-N -1 3 231.242 2.099 20 0 BEADHM CCCc1nnc(-c2cc(Cl)n[n-]2)o1 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LNQZOPKYZOKBIA-UHFFFAOYSA-N -1 3 211.305 2.269 20 0 BEADHM Cc1cnccc1Nc1ccsc1C(=O)[O-] ZINC001215383886 970731491 /nfs/dbraw/zinc/73/14/91/970731491.db2.gz SSIGGNBZTVFHAQ-UHFFFAOYSA-N -1 3 234.280 2.315 20 0 BEADHM CN(c1ccsc1C(=O)[O-])c1cc(N)ccn1 ZINC001215391589 970740005 /nfs/dbraw/zinc/74/00/05/970740005.db2.gz CBUOVHPOHQAQHQ-UHFFFAOYSA-N -1 3 249.295 2.191 20 0 BEADHM Cc1ncsc1CCC(=O)[N-]OC(C)(C)C ZINC001327336339 972550375 /nfs/dbraw/zinc/55/03/75/972550375.db2.gz RPYFVIPXNGZZDN-UHFFFAOYSA-N -1 3 242.344 2.230 20 0 BEADHM Cc1cc(CNCCC(F)F)oc1C(=O)[O-] ZINC000393752912 972635159 /nfs/dbraw/zinc/63/51/59/972635159.db2.gz QFKAYWDXKCGNLD-UHFFFAOYSA-N -1 3 233.214 2.031 20 0 BEADHM C[C@]1(C(=O)[N-]OCC2CC2)CC=CCC1 ZINC001328027862 972854685 /nfs/dbraw/zinc/85/46/85/972854685.db2.gz WAYZOXXCMZVNOP-LBPRGKRZSA-N -1 3 209.289 2.191 20 0 BEADHM [O-]c1cc(F)c(CN2CCCC2)cc1F ZINC001144646813 972905480 /nfs/dbraw/zinc/90/54/80/972905480.db2.gz LSFHYIHRDMYQFV-UHFFFAOYSA-N -1 3 213.227 2.266 20 0 BEADHM CC(C)(CF)NCc1ccc(C(=O)[O-])cc1 ZINC001329236602 973591032 /nfs/dbraw/zinc/59/10/32/973591032.db2.gz OBHWMGHLFWCNFW-UHFFFAOYSA-N -1 3 225.263 2.223 20 0 BEADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cncnc1 ZINC001147432850 973594502 /nfs/dbraw/zinc/59/45/02/973594502.db2.gz GWWMSPBWKTXFBW-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM Cc1cncc(C(=O)Nc2ccc(F)c([O-])c2)c1 ZINC001147401623 973597020 /nfs/dbraw/zinc/59/70/20/973597020.db2.gz OVKKPWYIQMWSPL-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM CC(C)CO[N-]C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001331144151 974618944 /nfs/dbraw/zinc/61/89/44/974618944.db2.gz QSEXICRVJUFSMW-NSHDSACASA-N -1 3 243.347 2.286 20 0 BEADHM Cc1cnc(=S)[n-]c1O[C@H](C)c1ncccn1 ZINC001225742734 974663644 /nfs/dbraw/zinc/66/36/44/974663644.db2.gz OYABTHBBTYNJRZ-MRVPVSSYSA-N -1 3 248.311 2.004 20 0 BEADHM Cc1cnc(=S)[n-]c1O[C@@H]1CCO[C@H](C)C1 ZINC001225741552 974665060 /nfs/dbraw/zinc/66/50/60/974665060.db2.gz XKMYQZAVOPPGJT-RKDXNWHRSA-N -1 3 240.328 2.020 20 0 BEADHM Cc1cnc(=S)[n-]c1OC[C@H]1CCC=CO1 ZINC001225743633 974667239 /nfs/dbraw/zinc/66/72/39/974667239.db2.gz YUDDNHIGUTWDTI-SECBINFHSA-N -1 3 238.312 2.145 20 0 BEADHM CCO[C@H](C)COc1cc(C(C)=O)ccc1[O-] ZINC001225995843 974756620 /nfs/dbraw/zinc/75/66/20/974756620.db2.gz UELABLCEOVDGJN-SECBINFHSA-N -1 3 238.283 2.399 20 0 BEADHM CCOC[C@@H](C)Oc1cc(C(C)=O)ccc1[O-] ZINC001225998759 974760209 /nfs/dbraw/zinc/76/02/09/974760209.db2.gz OEYFKEQLCZYABY-SECBINFHSA-N -1 3 238.283 2.399 20 0 BEADHM CC(C)(C)O[N-]C(=O)C[C@@H]1CCC2(CCC2)O1 ZINC001331592331 974771094 /nfs/dbraw/zinc/77/10/94/974771094.db2.gz AYJRBPZLNRUQGK-JTQLQIEISA-N -1 3 241.331 2.325 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@H]1CCC[C@@H](C)C1 ZINC001226071756 974776574 /nfs/dbraw/zinc/77/65/74/974776574.db2.gz UFLPQURXCFEOMG-SCZZXKLOSA-N -1 3 222.288 2.448 20 0 BEADHM CCC[C@H](CC)Oc1nc[n-]c(=O)c1C ZINC001226072002 974776830 /nfs/dbraw/zinc/77/68/30/974776830.db2.gz WRIRQHJUUFSWJA-VIFPVBQESA-N -1 3 210.277 2.448 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@H]1CC2CCC1CC2 ZINC001226077257 974778998 /nfs/dbraw/zinc/77/89/98/974778998.db2.gz PPJNYMOELLACML-ILDUYXDCSA-N -1 3 234.299 2.448 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@@H]1CCCC[C@@H]1F ZINC001226077768 974780777 /nfs/dbraw/zinc/78/07/77/974780777.db2.gz WFCPULXFGMSHOR-DTWKUNHWSA-N -1 3 226.251 2.150 20 0 BEADHM Cc1c(O[C@H]2CC[C@@H](C)CC2)nc[n-]c1=O ZINC001226077289 974780887 /nfs/dbraw/zinc/78/08/87/974780887.db2.gz PZIKBJZSWDKLGU-WAAGHKOSSA-N -1 3 222.288 2.448 20 0 BEADHM CCC[C@@H](Oc1[n-]c(=O)nnc1C)[C@@H](C)CC ZINC001226460393 974911353 /nfs/dbraw/zinc/91/13/53/974911353.db2.gz CREMKPMLVIPECU-WCBMZHEXSA-N -1 3 239.319 2.479 20 0 BEADHM CC[C@H]1CCCC[C@H]1Oc1[n-]c(=O)nnc1C ZINC001226461002 974912547 /nfs/dbraw/zinc/91/25/47/974912547.db2.gz JENYTEGRCQBTFE-VHSXEESVSA-N -1 3 237.303 2.233 20 0 BEADHM CCc1nc(O[C@H]2CCCC[C@@H]2F)cc(=O)[n-]1 ZINC001226474279 974919686 /nfs/dbraw/zinc/91/96/86/974919686.db2.gz DXQYSDNTUAGXAN-IUCAKERBSA-N -1 3 240.278 2.404 20 0 BEADHM CCc1nc(O[C@H](C)c2cccnc2)cc(=O)[n-]1 ZINC001226472330 974921177 /nfs/dbraw/zinc/92/11/77/974921177.db2.gz DNXHKKLFAJDWRG-SECBINFHSA-N -1 3 245.282 2.280 20 0 BEADHM CCc1nc(O[C@@H]2C[C@H]3CC[C@@H]2C3)cc(=O)[n-]1 ZINC001226475861 974923438 /nfs/dbraw/zinc/92/34/38/974923438.db2.gz NAZRYDWGIDBKFZ-IVZWLZJFSA-N -1 3 234.299 2.312 20 0 BEADHM CCc1nc(O[C@H]2CCC(F)(F)C2)cc(=O)[n-]1 ZINC001226476924 974923611 /nfs/dbraw/zinc/92/36/11/974923611.db2.gz USPJYWQFARQLSQ-ZETCQYMHSA-N -1 3 244.241 2.311 20 0 BEADHM Cc1nc(O[C@H](C)c2ccncc2)cc(=O)[n-]1 ZINC001226511404 974935655 /nfs/dbraw/zinc/93/56/55/974935655.db2.gz YVJKZJBANXEWHP-MRVPVSSYSA-N -1 3 231.255 2.026 20 0 BEADHM Cc1nc([C@H](C)[N-]c2nnc(C(C)C)o2)no1 ZINC001332319187 975054051 /nfs/dbraw/zinc/05/40/51/975054051.db2.gz PCFLOMIOAKXLIQ-LURJTMIESA-N -1 3 237.263 2.058 20 0 BEADHM CC[C@@H]1CC[C@H]([NH2+]CCCCP(=O)([O-])[O-])C1 ZINC001173264393 975126609 /nfs/dbraw/zinc/12/66/09/975126609.db2.gz SFIPXUUQEZPDQI-MNOVXSKESA-N -1 3 249.291 2.113 20 0 BEADHM C[C@H](Oc1ccnc(=S)[n-]1)c1cccnc1 ZINC001226937228 975164206 /nfs/dbraw/zinc/16/42/06/975164206.db2.gz OWXPLDAPLWXZTQ-QMMMGPOBSA-N -1 3 233.296 2.300 20 0 BEADHM CC[C@H](Oc1cc(=O)[n-]cn1)C(C)(C)C ZINC001226944903 975170092 /nfs/dbraw/zinc/17/00/92/975170092.db2.gz LCFYIHIDNOZMGP-QMMMGPOBSA-N -1 3 210.277 2.386 20 0 BEADHM COc1ccc([C@@H](C)Oc2cc(=O)[n-]cn2)cc1 ZINC001226944700 975172681 /nfs/dbraw/zinc/17/26/81/975172681.db2.gz IDUOALBYPZYURS-SECBINFHSA-N -1 3 246.266 2.331 20 0 BEADHM C[C@@H](Oc1cnc[n-]c1=O)c1ccccc1F ZINC001227049791 975237253 /nfs/dbraw/zinc/23/72/53/975237253.db2.gz XFKQSHUEAGDQHI-MRVPVSSYSA-N -1 3 234.230 2.461 20 0 BEADHM O=c1ccc(O[C@@H]2CCOc3ccccc32)n[n-]1 ZINC001227093482 975265826 /nfs/dbraw/zinc/26/58/26/975265826.db2.gz MUFFLWPNDNDIMR-LLVKDONJSA-N -1 3 244.250 2.085 20 0 BEADHM O=c1ccc(OC2CCC(F)(F)CC2)n[n-]1 ZINC001227094243 975270248 /nfs/dbraw/zinc/27/02/48/975270248.db2.gz CURGFBBCWFQQFV-UHFFFAOYSA-N -1 3 230.214 2.139 20 0 BEADHM C[C@@H](Oc1ccc(=O)[n-]n1)c1cccs1 ZINC001227094541 975271334 /nfs/dbraw/zinc/27/13/34/975271334.db2.gz HIVDBTJUCYNFOG-SSDOTTSWSA-N -1 3 222.269 2.384 20 0 BEADHM Cc1ccoc1CN[C@H]1C=CC[C@H](C(=O)[O-])C1 ZINC001333188518 975545545 /nfs/dbraw/zinc/54/55/45/975545545.db2.gz UVMIDCQYAUWAND-QWRGUYRKSA-N -1 3 235.283 2.097 20 0 BEADHM O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccccc1 ZINC001173793047 975618231 /nfs/dbraw/zinc/61/82/31/975618231.db2.gz YZHDPDVBDKETIA-UHFFFAOYSA-N -1 3 232.199 2.029 20 0 BEADHM C=Cc1c[n-]c(=O)nc1O[C@@H](C)C1CC1 ZINC001227710782 975629855 /nfs/dbraw/zinc/62/98/55/975629855.db2.gz BLOUTNCLPXPIHC-ZETCQYMHSA-N -1 3 206.245 2.003 20 0 BEADHM C=Cc1c[n-]c(=O)nc1OC1CC(F)(F)C1 ZINC001227713720 975640440 /nfs/dbraw/zinc/64/04/40/975640440.db2.gz NTWVZQGPSHTNBR-UHFFFAOYSA-N -1 3 228.198 2.002 20 0 BEADHM Cc1nc(Nc2ccc(F)cc2)cc(=O)[n-]1 ZINC001173798109 975641137 /nfs/dbraw/zinc/64/11/37/975641137.db2.gz DZKOGNPNRYKTAK-UHFFFAOYSA-N -1 3 219.219 2.373 20 0 BEADHM C=Cc1c[n-]c(=O)nc1O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001227717267 975648364 /nfs/dbraw/zinc/64/83/64/975648364.db2.gz HLHZMPUFBKXLPU-DVVUODLYSA-N -1 3 232.283 2.393 20 0 BEADHM CC[C@@H](COC)Oc1ncc(Cl)cc1[O-] ZINC001227979661 975822334 /nfs/dbraw/zinc/82/23/34/975822334.db2.gz GLXMFWHTSAEBKN-QMMMGPOBSA-N -1 3 231.679 2.244 20 0 BEADHM C[C@H]1CC[C@@H](COc2ncc(Cl)cc2[O-])O1 ZINC001227984302 975829932 /nfs/dbraw/zinc/82/99/32/975829932.db2.gz RNNWZSQYYGCGSX-CBAPKCEASA-N -1 3 243.690 2.387 20 0 BEADHM Cc1ncc(Nc2cccc(F)c2)c(=O)[n-]1 ZINC001173835428 975861649 /nfs/dbraw/zinc/86/16/49/975861649.db2.gz LBSQSKVNSOQDNE-UHFFFAOYSA-N -1 3 219.219 2.373 20 0 BEADHM CC(=O)c1ccc(Nc2cnc[n-]c2=O)cc1 ZINC001173894849 975880911 /nfs/dbraw/zinc/88/09/11/975880911.db2.gz HOCAKFYYZIEYPV-UHFFFAOYSA-N -1 3 229.239 2.128 20 0 BEADHM CSCC1(CC(=O)[N-]OC(C)(C)C)CC1 ZINC001346304513 1169994395 /nfs/dbraw/zinc/99/43/95/1169994395.db2.gz BFSGVRYVAGEOSA-UHFFFAOYSA-N -1 3 231.361 2.366 20 0 BEADHM COc1nonc1[N-]c1cc(C)ccc1OC ZINC001173985236 976128728 /nfs/dbraw/zinc/12/87/28/976128728.db2.gz UPKQAXGPGSWYKU-UHFFFAOYSA-N -1 3 235.243 2.139 20 0 BEADHM Cc1ncc(Nc2ccc3c(c2)CCO3)c(=O)[n-]1 ZINC001174009554 976175157 /nfs/dbraw/zinc/17/51/57/976175157.db2.gz IEYBVSIBEQUCOL-UHFFFAOYSA-N -1 3 243.266 2.169 20 0 BEADHM CC(C)CO[N-]C(=O)C[C@H]1CC=CCC1 ZINC001334247520 976402897 /nfs/dbraw/zinc/40/28/97/976402897.db2.gz KBTOTXQQOQRWQV-NSHDSACASA-N -1 3 211.305 2.437 20 0 BEADHM CCCn1cc(Nc2ncc(F)cc2[O-])cn1 ZINC001174218600 976412859 /nfs/dbraw/zinc/41/28/59/976412859.db2.gz FCVPLNMLMWWPNH-UHFFFAOYSA-N -1 3 236.250 2.276 20 0 BEADHM CC[C@@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697675 976437731 /nfs/dbraw/zinc/43/77/31/976437731.db2.gz NSPGQOBZZUEUKV-MRVPVSSYSA-N -1 3 218.260 2.044 20 0 BEADHM C[C@H](Oc1n[n-]c(-c2ccncc2)n1)C1CC1 ZINC001228698398 976438470 /nfs/dbraw/zinc/43/84/70/976438470.db2.gz XPYXMODGHTWTDU-QMMMGPOBSA-N -1 3 230.271 2.044 20 0 BEADHM CC(C)[C@@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228696750 976439652 /nfs/dbraw/zinc/43/96/52/976439652.db2.gz CKYOIGWUQYWZJV-SECBINFHSA-N -1 3 232.287 2.290 20 0 BEADHM [O-]c1cc(F)c(Nc2cn[nH]c2)cc1F ZINC001174297823 976487380 /nfs/dbraw/zinc/48/73/80/976487380.db2.gz QVVWYBNTNQARHS-UHFFFAOYSA-N -1 3 211.171 2.137 20 0 BEADHM COc1cc(Nc2ncc(F)cc2[O-])ccn1 ZINC001174304461 976512988 /nfs/dbraw/zinc/51/29/88/976512988.db2.gz XPZGZZJVKQHKLB-UHFFFAOYSA-N -1 3 235.218 2.074 20 0 BEADHM Cc1nn(C)cc1Nc1ncc(Cl)cc1[O-] ZINC001174333289 976546467 /nfs/dbraw/zinc/54/64/67/976546467.db2.gz JVPNLFXNNRXFEW-UHFFFAOYSA-N -1 3 238.678 2.226 20 0 BEADHM Cc1nn(C)cc1Nc1cc(F)c([O-])cc1F ZINC001174335752 976557391 /nfs/dbraw/zinc/55/73/91/976557391.db2.gz DRWTVZMAOUOBPL-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM Cc1nc(Nc2ccnc3[nH]ccc32)cc(=O)[n-]1 ZINC001174408597 976689046 /nfs/dbraw/zinc/68/90/46/976689046.db2.gz OTPOARTXMVHGML-UHFFFAOYSA-N -1 3 241.254 2.062 20 0 BEADHM Cc1nc(N[C@H](C)c2cncs2)cc(=O)[n-]1 ZINC001335114395 976852328 /nfs/dbraw/zinc/85/23/28/976852328.db2.gz AFZVJJHWWUXLMR-ZCFIWIBFSA-N -1 3 236.300 2.120 20 0 BEADHM Cc1nc(O[C@H](C)C(C)C)c(C)c(=O)[n-]1 ZINC001229684684 976943273 /nfs/dbraw/zinc/94/32/73/976943273.db2.gz FVWYFLUVZHMRIA-MRVPVSSYSA-N -1 3 210.277 2.222 20 0 BEADHM Cc1nc(O[C@@H](C)C(C)C)c(C)c(=O)[n-]1 ZINC001229684690 976942246 /nfs/dbraw/zinc/94/22/46/976942246.db2.gz FVWYFLUVZHMRIA-QMMMGPOBSA-N -1 3 210.277 2.222 20 0 BEADHM O=c1[n-]cncc1Nc1ccc2c(c1)CCCO2 ZINC001174720427 976968582 /nfs/dbraw/zinc/96/85/82/976968582.db2.gz SXZYJXUJBKHXGY-UHFFFAOYSA-N -1 3 243.266 2.251 20 0 BEADHM CC(C)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229954139 977036214 /nfs/dbraw/zinc/03/62/14/977036214.db2.gz IGFCXYHUKZKTBB-VIFPVBQESA-N -1 3 232.287 2.290 20 0 BEADHM CC(C)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229954139 977036225 /nfs/dbraw/zinc/03/62/25/977036225.db2.gz IGFCXYHUKZKTBB-VIFPVBQESA-N -1 3 232.287 2.290 20 0 BEADHM O=c1cc[nH]cc1Nc1c(F)cc([O-])cc1F ZINC001175100540 977252696 /nfs/dbraw/zinc/25/26/96/977252696.db2.gz PTSGQWRQDOPNDS-UHFFFAOYSA-N -1 3 238.193 2.102 20 0 BEADHM Cc1ncc(Nc2ccc(C(=O)[O-])c(F)c2)n1C ZINC001175157844 977271171 /nfs/dbraw/zinc/27/11/71/977271171.db2.gz HYACAXFHCCIGNL-UHFFFAOYSA-N -1 3 249.245 2.309 20 0 BEADHM Cn1ccnc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175216002 977333631 /nfs/dbraw/zinc/33/36/31/977333631.db2.gz WZNWBBVCIIWRCE-UHFFFAOYSA-N -1 3 235.218 2.001 20 0 BEADHM CC(=O)c1ccc([N-]c2nonc2C)cc1F ZINC001175227748 977337625 /nfs/dbraw/zinc/33/76/25/977337625.db2.gz PXJSEJQONODFLI-UHFFFAOYSA-N -1 3 235.218 2.463 20 0 BEADHM Cc1cc(Nc2c(F)ccc([O-])c2F)nn1C ZINC001175261268 977357223 /nfs/dbraw/zinc/35/72/23/977357223.db2.gz JKGKDQAUEAWDRW-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM [O-]c1ccc(F)c(Nc2ccncn2)c1F ZINC001175260812 977357818 /nfs/dbraw/zinc/35/78/18/977357818.db2.gz BNPLQDJOCGJEDZ-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM Nc1cncc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175263616 977362509 /nfs/dbraw/zinc/36/25/09/977362509.db2.gz MVSOMUOYMWWSMZ-UHFFFAOYSA-N -1 3 237.209 2.391 20 0 BEADHM COc1cnc(Cl)c([N-]c2cncs2)n1 ZINC001175496888 977456856 /nfs/dbraw/zinc/45/68/56/977456856.db2.gz KYXAKDFBEFAPHX-UHFFFAOYSA-N -1 3 242.691 2.339 20 0 BEADHM CC(C)[C@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118983 977488859 /nfs/dbraw/zinc/48/88/59/977488859.db2.gz XPOCCQRTHMGJBE-VIFPVBQESA-N -1 3 232.287 2.290 20 0 BEADHM CC(C)[C@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118983 977488873 /nfs/dbraw/zinc/48/88/73/977488873.db2.gz XPOCCQRTHMGJBE-VIFPVBQESA-N -1 3 232.287 2.290 20 0 BEADHM Cc1nonc1[N-]c1c2cn[nH]c2ccc1C ZINC001175525902 977508929 /nfs/dbraw/zinc/50/89/29/977508929.db2.gz ORZUIPDYABEPQK-UHFFFAOYSA-N -1 3 229.243 2.306 20 0 BEADHM CSc1ccc(Nc2cc(=O)[n-]c(C)n2)cn1 ZINC001175650985 977614631 /nfs/dbraw/zinc/61/46/31/977614631.db2.gz ICYZHQVJPXSNQW-UHFFFAOYSA-N -1 3 248.311 2.351 20 0 BEADHM Cc1nnc([N-]c2ccc3cn(C)nc3c2)o1 ZINC001175609231 977620374 /nfs/dbraw/zinc/62/03/74/977620374.db2.gz LAEUCPOGTRWODO-UHFFFAOYSA-N -1 3 229.243 2.008 20 0 BEADHM O=c1[n-]cncc1Nc1ccc2ccncc2c1 ZINC001175701033 977629881 /nfs/dbraw/zinc/62/98/81/977629881.db2.gz FISHFKVIBAGQEN-UHFFFAOYSA-N -1 3 238.250 2.474 20 0 BEADHM Cc1n[nH]c2cc(Nc3cnc[n-]c3=O)ccc12 ZINC001175659416 977637137 /nfs/dbraw/zinc/63/71/37/977637137.db2.gz ATDORLUIMOHFNZ-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM CCOc1ccc(Nc2cnc(C)[n-]c2=O)cn1 ZINC001175740419 977674316 /nfs/dbraw/zinc/67/43/16/977674316.db2.gz VWJUBZAJJUUNGI-UHFFFAOYSA-N -1 3 246.270 2.028 20 0 BEADHM Cc1ccc([O-])c(CN2CCc3occc3C2)n1 ZINC001231674230 977687324 /nfs/dbraw/zinc/68/73/24/977687324.db2.gz HVZNUFUFHXWWFT-UHFFFAOYSA-N -1 3 244.294 2.247 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@H](C)Cc2ccco2)n1 ZINC001336458206 977699117 /nfs/dbraw/zinc/69/91/17/977699117.db2.gz RGWXRWFFAOKFFV-MRVPVSSYSA-N -1 3 233.271 2.127 20 0 BEADHM CO[C@H]1CCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231733505 977714349 /nfs/dbraw/zinc/71/43/49/977714349.db2.gz WLIPCOURLDDMKL-JTQLQIEISA-N -1 3 241.718 2.266 20 0 BEADHM Cc1cc(=O)[n-]c(NCCC2CC(F)(F)C2)n1 ZINC001336651966 977829985 /nfs/dbraw/zinc/82/99/85/977829985.db2.gz YSPRSEDSPDLSJN-UHFFFAOYSA-N -1 3 243.257 2.338 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@H]2CCC[C@@H](F)C2)n1 ZINC001336681221 977849740 /nfs/dbraw/zinc/84/97/40/977849740.db2.gz YMUKUHOCIWQNDR-BDAKNGLRSA-N -1 3 225.267 2.183 20 0 BEADHM [O-]c1cccc(F)c1N=C1CCOCC1 ZINC001176142565 977927003 /nfs/dbraw/zinc/92/70/03/977927003.db2.gz ITENNJPVUZKUKK-UHFFFAOYSA-N -1 3 209.220 2.247 20 0 BEADHM O=C([O-])CCCN1CC[C@H]1c1ccc(F)cc1 ZINC001595048444 977928787 /nfs/dbraw/zinc/92/87/87/977928787.db2.gz SFLRPIIHMCGCBL-LBPRGKRZSA-N -1 3 237.274 2.437 20 0 BEADHM Cc1noc(C)c1[N-]c1nccnc1Cl ZINC001176177609 977977887 /nfs/dbraw/zinc/97/78/87/977977887.db2.gz SIXZXQVWLRQQEK-UHFFFAOYSA-N -1 3 224.651 2.478 20 0 BEADHM O=C(c1ccccc1[O-])N1CC2(CCC2)C1 ZINC001595527661 978082508 /nfs/dbraw/zinc/08/25/08/978082508.db2.gz YDTAJQDFVYWHDA-UHFFFAOYSA-N -1 3 217.268 2.018 20 0 BEADHM Cc1ncc(Nc2ccc(O)cc2F)c(=O)[n-]1 ZINC001176415023 978084206 /nfs/dbraw/zinc/08/42/06/978084206.db2.gz JHRNRBZIBUXJQT-UHFFFAOYSA-N -1 3 235.218 2.079 20 0 BEADHM COc1ccc(O)cc1[N-]c1nonc1C1CC1 ZINC001176577181 978133978 /nfs/dbraw/zinc/13/39/78/978133978.db2.gz OQFMWIJDMYBNRD-UHFFFAOYSA-N -1 3 247.254 2.405 20 0 BEADHM Cn1cncc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664093 978149049 /nfs/dbraw/zinc/14/90/49/978149049.db2.gz KQUIIBJNHRXLIH-UHFFFAOYSA-N -1 3 243.188 2.287 20 0 BEADHM Cc1ncc(Nc2ccc(C(=O)[O-])cc2)n1C ZINC001176710815 978173804 /nfs/dbraw/zinc/17/38/04/978173804.db2.gz OEMFGQZSWRYVGJ-UHFFFAOYSA-N -1 3 231.255 2.170 20 0 BEADHM [O-]c1cnc(Cl)cc1CN1CCCC1 ZINC001233033154 978421553 /nfs/dbraw/zinc/42/15/53/978421553.db2.gz ISJRNUCONFYSJC-UHFFFAOYSA-N -1 3 212.680 2.036 20 0 BEADHM [O-]c1cccc(CN2CC[C@H](F)C2)c1F ZINC001233050614 978443691 /nfs/dbraw/zinc/44/36/91/978443691.db2.gz RTBLEIMAKVNNOA-VIFPVBQESA-N -1 3 213.227 2.075 20 0 BEADHM [O-]c1cccc(CN2CC(C(F)F)C2)c1F ZINC001233055021 978448811 /nfs/dbraw/zinc/44/88/11/978448811.db2.gz JQJAKISNEAXPCW-UHFFFAOYSA-N -1 3 231.217 2.228 20 0 BEADHM O=C(Cc1ccc[nH]1)Nc1ccc(F)c([O-])c1 ZINC001177869781 978450729 /nfs/dbraw/zinc/45/07/29/978450729.db2.gz IRLHLXZFYZEJBI-UHFFFAOYSA-N -1 3 234.230 2.041 20 0 BEADHM COC[C@@H]1CCN1Cc1ccc([S-])cc1 ZINC001233263178 978521053 /nfs/dbraw/zinc/52/10/53/978521053.db2.gz JRNHZDWJUYKHKQ-NSHDSACASA-N -1 3 223.341 2.196 20 0 BEADHM C[C@H]1CCN1Cc1c(F)ccc([O-])c1F ZINC001233393748 978586524 /nfs/dbraw/zinc/58/65/24/978586524.db2.gz KDIDCXPLGBEFBY-ZETCQYMHSA-N -1 3 213.227 2.265 20 0 BEADHM Cc1csc(CNc2nc(C)cc(=O)[n-]2)c1 ZINC001338009641 978586645 /nfs/dbraw/zinc/58/66/45/978586645.db2.gz HYYVZGYNVSFLRW-UHFFFAOYSA-N -1 3 235.312 2.473 20 0 BEADHM COc1ccc(CN(C)CCF)c(Cl)c1[O-] ZINC001233402549 978597836 /nfs/dbraw/zinc/59/78/36/978597836.db2.gz UEJKQMNSEFROCT-UHFFFAOYSA-N -1 3 247.697 2.456 20 0 BEADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CCOC1=O ZINC001233592725 978638119 /nfs/dbraw/zinc/63/81/19/978638119.db2.gz OEBRUFJSERNKPZ-VIFPVBQESA-N -1 3 242.658 2.048 20 0 BEADHM COC(=O)[C@@H](C)Oc1cc(Cl)c([O-])cc1C ZINC001233593419 978642908 /nfs/dbraw/zinc/64/29/08/978642908.db2.gz XLOADGQDKDRCPG-SSDOTTSWSA-N -1 3 244.674 2.294 20 0 BEADHM Cc1c(C(=O)[O-])cc(CN2[C@H](C)C[C@H]2C)n1C ZINC001599987039 978662307 /nfs/dbraw/zinc/66/23/07/978662307.db2.gz NRHFVWYWSITMIH-RKDXNWHRSA-N -1 3 236.315 2.014 20 0 BEADHM [O-]c1coc2ccc(OC3CC=CC3)cc12 ZINC001233676976 978668979 /nfs/dbraw/zinc/66/89/79/978668979.db2.gz BVYSETFDRSOJDW-UHFFFAOYSA-N -1 3 216.236 2.359 20 0 BEADHM [O-]c1coc2ccc(OC[C@H]3CCC=CO3)cc12 ZINC001233677197 978670094 /nfs/dbraw/zinc/67/00/94/978670094.db2.gz HAWWYSRHYZSBPN-LLVKDONJSA-N -1 3 246.262 2.333 20 0 BEADHM CCOC[C@H](C)Oc1ccc2occ([O-])c2c1 ZINC001233677380 978670180 /nfs/dbraw/zinc/67/01/80/978670180.db2.gz JZZVLHLNSHLIQW-VIFPVBQESA-N -1 3 236.267 2.066 20 0 BEADHM CC[C@@H](COc1ccc2occ([O-])c2c1)OC ZINC001233681343 978671418 /nfs/dbraw/zinc/67/14/18/978671418.db2.gz VGNVIMPCRLYUAV-VIFPVBQESA-N -1 3 236.267 2.066 20 0 BEADHM C[C@H]1C[C@H](Oc2ccc3occ([O-])c3c2)CCO1 ZINC001233681273 978673438 /nfs/dbraw/zinc/67/34/38/978673438.db2.gz SRQIJWNEIVGDSW-GXSJLCMTSA-N -1 3 248.278 2.208 20 0 BEADHM Cc1cc(OCC2(C(=O)[O-])CC2)c(C)c(C)n1 ZINC001600290162 978685653 /nfs/dbraw/zinc/68/56/53/978685653.db2.gz INQCWASLNSFJCZ-UHFFFAOYSA-N -1 3 235.283 2.250 20 0 BEADHM [O-]c1cccc(O[C@H]2COc3cnccc32)c1F ZINC001233869986 978719786 /nfs/dbraw/zinc/71/97/86/978719786.db2.gz QPESTYNCPDVBJN-LBPRGKRZSA-N -1 3 247.225 2.439 20 0 BEADHM COC(C[C@@H](C)Oc1cccc([O-])c1F)OC ZINC001233871442 978720796 /nfs/dbraw/zinc/72/07/96/978720796.db2.gz NYXDNBSPGFLZGW-MRVPVSSYSA-N -1 3 244.262 2.308 20 0 BEADHM C[C@H](CC(F)(F)F)C(=O)Nc1cncc([O-])c1 ZINC001179859992 978782956 /nfs/dbraw/zinc/78/29/56/978782956.db2.gz RTTVAOOGRPRPJM-ZCFIWIBFSA-N -1 3 248.204 2.314 20 0 BEADHM [O-]c1ccc(Cl)c(O[C@@H]2CCOC2)c1F ZINC001234263480 978805264 /nfs/dbraw/zinc/80/52/64/978805264.db2.gz 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YADIZQGKGZBIFI-SSDOTTSWSA-N -1 3 224.285 2.182 20 0 BEADHM c1cc2[n-]c(OC[C@H]3CCCO3)nc2s1 ZINC001234849092 978916076 /nfs/dbraw/zinc/91/60/76/978916076.db2.gz YADIZQGKGZBIFI-SSDOTTSWSA-N -1 3 224.285 2.182 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2CCS[C@H](C)C2)n1 ZINC001339827584 978920977 /nfs/dbraw/zinc/92/09/77/978920977.db2.gz BEKDZYDYILYTPW-RKDXNWHRSA-N -1 3 239.344 2.187 20 0 BEADHM CC(C)[C@H](C)C(=O)Nc1cncc([O-])c1 ZINC001181463256 979114309 /nfs/dbraw/zinc/11/43/09/979114309.db2.gz UNGUCVLMQSOXRS-QMMMGPOBSA-N -1 3 208.261 2.018 20 0 BEADHM NC(=O)c1ccc(-c2cc([O-])cc(Cl)c2)nc1 ZINC001235901450 979193558 /nfs/dbraw/zinc/19/35/58/979193558.db2.gz VDENNSQMBQJVID-UHFFFAOYSA-N -1 3 248.669 2.207 20 0 BEADHM CC(C)(/C=C\Cl)NCc1c[nH]c(C(=O)[O-])c1 ZINC001603575932 979478391 /nfs/dbraw/zinc/47/83/91/979478391.db2.gz RFKBIZNXTNAZCK-ARJAWSKDSA-N -1 3 242.706 2.334 20 0 BEADHM CC(C)c1[nH]c(CN2CCCC2)cc1C(=O)[O-] ZINC001603986124 979557480 /nfs/dbraw/zinc/55/74/80/979557480.db2.gz RKWBNAWGHKLVLQ-UHFFFAOYSA-N -1 3 236.315 2.432 20 0 BEADHM CCCCN1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001604182539 979595410 /nfs/dbraw/zinc/59/54/10/979595410.db2.gz GNWXFEANXSQUNI-UHFFFAOYSA-N -1 3 243.314 2.029 20 0 BEADHM CCCCN1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001604182539 979595413 /nfs/dbraw/zinc/59/54/13/979595413.db2.gz GNWXFEANXSQUNI-UHFFFAOYSA-N -1 3 243.314 2.029 20 0 BEADHM CC(C)OC(=O)Cc1c(F)ccc([O-])c1F ZINC001250085493 979616835 /nfs/dbraw/zinc/61/68/35/979616835.db2.gz LTVWSXZFXYAHKH-UHFFFAOYSA-N -1 3 230.210 2.165 20 0 BEADHM CC1=C[C@H](C)CN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001604615451 979684710 /nfs/dbraw/zinc/68/47/10/979684710.db2.gz NEFXAUHHDRKVEH-VIFPVBQESA-N -1 3 234.299 2.111 20 0 BEADHM C[C@H]1C[C@H](C)N1Cc1cc(C(=O)[O-])cs1 ZINC001604664270 979695720 /nfs/dbraw/zinc/69/57/20/979695720.db2.gz FALJYZUNDQAYID-YUMQZZPRSA-N -1 3 225.313 2.429 20 0 BEADHM [O-]c1cc(CN2CCC(F)CC2)ccc1F ZINC001236702763 979698267 /nfs/dbraw/zinc/69/82/67/979698267.db2.gz LSKKFNGMTARPOB-UHFFFAOYSA-N -1 3 227.254 2.465 20 0 BEADHM CC[C@@H](C)[N-]C(=O)C(F)(F)OCC(F)(F)F ZINC001183194533 979760933 /nfs/dbraw/zinc/76/09/33/979760933.db2.gz JYBGPJFODODJHB-RXMQYKEDSA-N -1 3 249.179 2.073 20 0 BEADHM Cc1ncc2n1CCN(Cc1occc1[S-])C2 ZINC001237178585 979827287 /nfs/dbraw/zinc/82/72/87/979827287.db2.gz XYPNHENOZPSZTJ-UHFFFAOYSA-N -1 3 249.339 2.089 20 0 BEADHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@H]1C[C@H]1C ZINC001605543450 979889310 /nfs/dbraw/zinc/88/93/10/979889310.db2.gz QNBCINWLRBVSLS-LDYMZIIASA-N -1 3 244.298 2.210 20 0 BEADHM c1cc(-c2nn[n-]n2)ccc1OCC1CCCC1 ZINC001607115961 980079995 /nfs/dbraw/zinc/07/99/95/980079995.db2.gz ZUBLKLXHVVDRHM-UHFFFAOYSA-N -1 3 244.298 2.436 20 0 BEADHM c1cc(-c2nnn[n-]2)cc(CSC2CCC2)n1 ZINC001607116026 980082867 /nfs/dbraw/zinc/08/28/67/980082867.db2.gz IXMAVKMUOBTMFV-UHFFFAOYSA-N -1 3 247.327 2.047 20 0 BEADHM c1cc(-c2nn[n-]n2)cc(CSC2CCC2)n1 ZINC001607116026 980082877 /nfs/dbraw/zinc/08/28/77/980082877.db2.gz IXMAVKMUOBTMFV-UHFFFAOYSA-N -1 3 247.327 2.047 20 0 BEADHM Cc1cc(CN2CC[C@@H]2C(C)C)[nH]c1C(=O)[O-] ZINC001607640184 980119523 /nfs/dbraw/zinc/11/95/23/980119523.db2.gz VUTYPTZWXMDRBU-LLVKDONJSA-N -1 3 236.315 2.252 20 0 BEADHM Cc1cc(C)nc(NC2CC(CC(=O)[O-])C2)c1 ZINC001607632748 980120347 /nfs/dbraw/zinc/12/03/47/980120347.db2.gz WJKJKZBZFBWQCN-UHFFFAOYSA-N -1 3 234.299 2.364 20 0 BEADHM COCCN(C)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237991105 980123761 /nfs/dbraw/zinc/12/37/61/980123761.db2.gz VSYKJTCZZKMAAJ-UHFFFAOYSA-N -1 3 247.697 2.263 20 0 BEADHM CC1(C)OC[C@H](Cc2c(F)ccc([O-])c2F)O1 ZINC001250182200 980181552 /nfs/dbraw/zinc/18/15/52/980181552.db2.gz CGAMWKVHMPEAFN-ZETCQYMHSA-N -1 3 244.237 2.364 20 0 BEADHM O=C([N-]c1c(F)ccnc1F)c1ccco1 ZINC001343704263 980206306 /nfs/dbraw/zinc/20/63/06/980206306.db2.gz JHRHCLJVAODWCU-UHFFFAOYSA-N -1 3 224.166 2.205 20 0 BEADHM O=C([O-])[C@]1(F)CCN([C@H]2CCc3ccccc32)C1 ZINC001608575113 980232966 /nfs/dbraw/zinc/23/29/66/980232966.db2.gz DCHRETNFIGXTGX-JSGCOSHPSA-N -1 3 249.285 2.173 20 0 BEADHM Cc1cccc(O)c1C(=O)Nc1ncccc1[O-] ZINC001188638541 980684604 /nfs/dbraw/zinc/68/46/04/980684604.db2.gz NBNQQTGTPZQHPF-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM Cc1cccc([O-])c1C(=O)Nc1ncccc1O ZINC001188638541 980684607 /nfs/dbraw/zinc/68/46/07/980684607.db2.gz NBNQQTGTPZQHPF-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM Cc1cccc([O-])c1C(=O)Nc1ncncc1C ZINC001188640248 980686758 /nfs/dbraw/zinc/68/67/58/980686758.db2.gz KQTJTMFNKHDMHT-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM Fc1ccc(-c2ccoc2)cc1-c1nnn[n-]1 ZINC001239691086 980849539 /nfs/dbraw/zinc/84/95/39/980849539.db2.gz ZLEMMKIBNHTXRA-UHFFFAOYSA-N -1 3 230.202 2.266 20 0 BEADHM Fc1ccc(-c2ccoc2)cc1-c1nn[n-]n1 ZINC001239691086 980849541 /nfs/dbraw/zinc/84/95/41/980849541.db2.gz ZLEMMKIBNHTXRA-UHFFFAOYSA-N -1 3 230.202 2.266 20 0 BEADHM CCC=CNC(=O)c1ccc(=O)[n-]c1Cl ZINC001190917822 980952703 /nfs/dbraw/zinc/95/27/03/980952703.db2.gz GZFCNIGEXAFWSS-ZZXKWVIFSA-N -1 3 226.663 2.094 20 0 BEADHM CN(CC(=O)C(C)(C)C)C(=O)c1ccccc1[O-] ZINC001347711324 981151231 /nfs/dbraw/zinc/15/12/31/981151231.db2.gz BWMMTMQEFDSKAK-UHFFFAOYSA-N -1 3 249.310 2.079 20 0 BEADHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001240223828 981181694 /nfs/dbraw/zinc/18/16/94/981181694.db2.gz LJJIVLFUDYIVEG-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001240223828 981181698 /nfs/dbraw/zinc/18/16/98/981181698.db2.gz LJJIVLFUDYIVEG-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM O=C(OCC[C@@H]1CCOC1)c1cc2occc2[n-]1 ZINC001348045908 981261276 /nfs/dbraw/zinc/26/12/76/981261276.db2.gz IWBADBKKDQAAKA-VIFPVBQESA-N -1 3 249.266 2.344 20 0 BEADHM CC1=CC(=O)CN=C1[N-]C(=O)OC(C)C ZINC001193449500 981320853 /nfs/dbraw/zinc/32/08/53/981320853.db2.gz QXJSHLKCULVKEF-UHFFFAOYSA-N -1 3 210.233 2.053 20 0 BEADHM Cc1sccc1C(=O)Nc1cncc([O-])c1 ZINC001193368376 981303729 /nfs/dbraw/zinc/30/37/29/981303729.db2.gz JGKIYHSPKPDXMF-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM Cc1cc(O)cc([O-])c1C(=O)N1C2CCC1CC2 ZINC001193936067 981497677 /nfs/dbraw/zinc/49/76/77/981497677.db2.gz JKMKMPUTYJMUSZ-UHFFFAOYSA-N -1 3 247.294 2.173 20 0 BEADHM Cc1cc(O)cc([O-])c1C(=O)NC(C)(C)C1CC1 ZINC001193937841 981498060 /nfs/dbraw/zinc/49/80/60/981498060.db2.gz JXCVMGRCAMQODZ-UHFFFAOYSA-N -1 3 249.310 2.325 20 0 BEADHM Cc1cc(O)cc([O-])c1C(=O)N[C@H](C)C(C)C ZINC001193912124 981510936 /nfs/dbraw/zinc/51/09/36/981510936.db2.gz PZHGMCPSFCXQDU-SECBINFHSA-N -1 3 237.299 2.181 20 0 BEADHM Cc1cc(O)cc([O-])c1C(=O)N(C)C(C)(C)C ZINC001193920600 981522280 /nfs/dbraw/zinc/52/22/80/981522280.db2.gz ILKYWKGSXSZBHG-UHFFFAOYSA-N -1 3 237.299 2.277 20 0 BEADHM CCCOC(=O)Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001194094603 981569678 /nfs/dbraw/zinc/56/96/78/981569678.db2.gz BPHOJDSZOJRZAN-UHFFFAOYSA-N -1 3 237.259 2.018 20 0 BEADHM Cc1nc(NC(=O)Oc2ccccc2)cc(=O)[n-]1 ZINC001194214530 981603232 /nfs/dbraw/zinc/60/32/32/981603232.db2.gz MYEJBVXEEPNZJN-UHFFFAOYSA-N -1 3 245.238 2.102 20 0 BEADHM Fc1ccc(-c2nnn[n-]2)c(NCCC2CC2)c1 ZINC001581853595 981748967 /nfs/dbraw/zinc/74/89/67/981748967.db2.gz NMQCSWIQIURMPF-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM Fc1ccc(-c2nn[n-]n2)c(NCCC2CC2)c1 ZINC001581853595 981748977 /nfs/dbraw/zinc/74/89/77/981748977.db2.gz NMQCSWIQIURMPF-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM CN(C)c1cnc(-c2ccc([O-])c(F)c2)cn1 ZINC001240781798 981818287 /nfs/dbraw/zinc/81/82/87/981818287.db2.gz JEFSSTYESOCUMV-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM Cc1cc(-c2ccc([O-])c(F)c2)cc(=O)o1 ZINC001240786384 981819647 /nfs/dbraw/zinc/81/96/47/981819647.db2.gz JXOKUNASPBZURH-UHFFFAOYSA-N -1 3 220.199 2.460 20 0 BEADHM CC[C@H](C)COC(=O)Nc1cnc(C)[n-]c1=O ZINC001194773313 981897647 /nfs/dbraw/zinc/89/76/47/981897647.db2.gz VPKFVPYRTIHJAW-ZETCQYMHSA-N -1 3 239.275 2.085 20 0 BEADHM CC[C@H](C)OC(=O)[N-]C1=NCC(=O)C=C1C ZINC001195078010 982062282 /nfs/dbraw/zinc/06/22/82/982062282.db2.gz ZBQARIDFSVEKOO-QMMMGPOBSA-N -1 3 224.260 2.443 20 0 BEADHM CN(C)c1cccc(-c2ccc(=S)[n-]n2)c1 ZINC001240983668 982063914 /nfs/dbraw/zinc/06/39/14/982063914.db2.gz KPCPAQBLRCOIGP-UHFFFAOYSA-N -1 3 231.324 2.498 20 0 BEADHM Cc1ccc(C(=O)[O-])cc1-c1cc(N)ccn1 ZINC001240998298 982083905 /nfs/dbraw/zinc/08/39/05/982083905.db2.gz ANXPTPDLQXRSIK-UHFFFAOYSA-N -1 3 228.251 2.337 20 0 BEADHM [O-]c1ccccc1-c1cc2cncnc2cn1 ZINC001241002967 982086154 /nfs/dbraw/zinc/08/61/54/982086154.db2.gz DFFNFHJQEDUWLN-UHFFFAOYSA-N -1 3 223.235 2.397 20 0 BEADHM CCOc1cncc(-c2ccccc2[O-])n1 ZINC001241002306 982087390 /nfs/dbraw/zinc/08/73/90/982087390.db2.gz ZEEDGEWJGDLOQN-UHFFFAOYSA-N -1 3 216.240 2.248 20 0 BEADHM [O-]c1ccccc1-c1ncnc2[nH]cc(F)c21 ZINC001241001794 982088068 /nfs/dbraw/zinc/08/80/68/982088068.db2.gz HKUWKNJRPQVTSQ-UHFFFAOYSA-N -1 3 229.214 2.421 20 0 BEADHM Cn1cnc2ccnc(-c3ccccc3[O-])c21 ZINC001241003952 982093006 /nfs/dbraw/zinc/09/30/06/982093006.db2.gz YZPYZVVOVVLMOU-UHFFFAOYSA-N -1 3 225.251 2.341 20 0 BEADHM Oc1ccccc1-c1ccc(=S)[n-]n1 ZINC001241008004 982095624 /nfs/dbraw/zinc/09/56/24/982095624.db2.gz DSDFZUIGYRIVGC-UHFFFAOYSA-N -1 3 204.254 2.138 20 0 BEADHM [O-]c1ccccc1-c1cncc(OC(F)F)n1 ZINC001241007962 982095857 /nfs/dbraw/zinc/09/58/57/982095857.db2.gz CPOFKKAVLZWGKQ-UHFFFAOYSA-N -1 3 238.193 2.451 20 0 BEADHM CCc1cc(-c2ccccc2[O-])ncn1 ZINC001241009486 982099240 /nfs/dbraw/zinc/09/92/40/982099240.db2.gz RTYFEQNWZMVHQY-UHFFFAOYSA-N -1 3 200.241 2.412 20 0 BEADHM COc1cnnc(-c2ccc(C)cc2[O-])c1 ZINC001241028118 982124297 /nfs/dbraw/zinc/12/42/97/982124297.db2.gz KCCHZELHYXGDDA-UHFFFAOYSA-N -1 3 216.240 2.166 20 0 BEADHM Cc1ccc(-c2cncc(C)n2)c([O-])c1 ZINC001241028937 982124414 /nfs/dbraw/zinc/12/44/14/982124414.db2.gz ZLSUUGRYMIQABQ-UHFFFAOYSA-N -1 3 200.241 2.466 20 0 BEADHM COc1ncc(F)c(-c2ccc(C)cc2[O-])n1 ZINC001241030592 982127745 /nfs/dbraw/zinc/12/77/45/982127745.db2.gz NSCAQKIXFPXLID-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM C1=CCC(COc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588386875 982157896 /nfs/dbraw/zinc/15/78/96/982157896.db2.gz CHCSAJBHUCYSOE-UHFFFAOYSA-N -1 3 242.282 2.212 20 0 BEADHM C1=CCC(COc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588386875 982157905 /nfs/dbraw/zinc/15/79/05/982157905.db2.gz CHCSAJBHUCYSOE-UHFFFAOYSA-N -1 3 242.282 2.212 20 0 BEADHM C=C/C=C/CCOc1cccc(-c2nnn[n-]2)c1 ZINC001588530459 982298348 /nfs/dbraw/zinc/29/83/48/982298348.db2.gz MMALRZWLKCUKDG-ONEGZZNKSA-N -1 3 242.282 2.378 20 0 BEADHM C=C/C=C/CCOc1cccc(-c2nn[n-]n2)c1 ZINC001588530459 982298361 /nfs/dbraw/zinc/29/83/61/982298361.db2.gz MMALRZWLKCUKDG-ONEGZZNKSA-N -1 3 242.282 2.378 20 0 BEADHM [O-]c1c(F)cc(Nc2cnoc2)cc1F ZINC001203240659 982375154 /nfs/dbraw/zinc/37/51/54/982375154.db2.gz WYDSFNJNZDCEOR-UHFFFAOYSA-N -1 3 212.155 2.402 20 0 BEADHM NCc1cc(-c2ccc(F)c(C(=O)[O-])c2)ccn1 ZINC001241245903 982389427 /nfs/dbraw/zinc/38/94/27/982389427.db2.gz JHGXJAFKRFNNBJ-UHFFFAOYSA-N -1 3 246.241 2.045 20 0 BEADHM CN(C)c1ccc(-c2cc([O-])cc(F)c2)nn1 ZINC001241258353 982394949 /nfs/dbraw/zinc/39/49/49/982394949.db2.gz ZUDVEBVUBTZGSI-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM CCOc1ccc(-c2cc([O-])cc(F)c2)nn1 ZINC001241258015 982394981 /nfs/dbraw/zinc/39/49/81/982394981.db2.gz RPUTULVPJDXUJU-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM COc1cc(C)c(-c2cc([O-])cc(F)c2)nn1 ZINC001241261532 982397115 /nfs/dbraw/zinc/39/71/15/982397115.db2.gz AAZJPPPYNPBVOS-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM COc1nccc(-c2cc([O-])cc(F)c2)c1N ZINC001241266437 982402082 /nfs/dbraw/zinc/40/20/82/982402082.db2.gz LKTMIOOPIBBPMI-UHFFFAOYSA-N -1 3 234.230 2.184 20 0 BEADHM O=C1NCc2cc(-c3cc([O-])cc(F)c3)ccc21 ZINC001241266458 982403300 /nfs/dbraw/zinc/40/33/00/982403300.db2.gz LSWWZWYFSQRXSD-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM COC(=O)c1cncc(-c2cc([O-])cc(F)c2)c1 ZINC001241267617 982403634 /nfs/dbraw/zinc/40/36/34/982403634.db2.gz ZSFKNDXJVCEZFF-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM Cc1nc(N)ccc1-c1cc([O-])cc(F)c1 ZINC001241277673 982407990 /nfs/dbraw/zinc/40/79/90/982407990.db2.gz OGIRXBHVLROTKI-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM CC(C)n1nccc(-c2cc([O-])cc(F)c2)c1=O ZINC001241280065 982414639 /nfs/dbraw/zinc/41/46/39/982414639.db2.gz AZPSXEINONISKL-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM [O-]c1cc(F)cc(-c2cc(F)cn3ncnc23)c1 ZINC001241282680 982425838 /nfs/dbraw/zinc/42/58/38/982425838.db2.gz NUPRAULPFXAYGH-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM [O-]c1ccc(F)c(-c2cncc3nccn32)c1F ZINC001241292280 982432137 /nfs/dbraw/zinc/43/21/37/982432137.db2.gz AHQJIRDMKTYQGU-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM Cn1cc(-c2c(F)ccc([O-])c2F)ccc1=O ZINC001241292922 982432586 /nfs/dbraw/zinc/43/25/86/982432586.db2.gz NRQPOMNLSPCWON-UHFFFAOYSA-N -1 3 237.205 2.036 20 0 BEADHM CC[C@H](C)[C@@H](N[C@@H](C)c1cscn1)C(=O)[O-] ZINC001594918334 982451588 /nfs/dbraw/zinc/45/15/88/982451588.db2.gz VQUVTHXGHRFNCN-OYNCUSHFSA-N -1 3 242.344 2.293 20 0 BEADHM C[C@@H]([NH2+][C@@H](C)CC(=O)[O-])c1cc([O-])cc(F)c1 ZINC001589004254 982566970 /nfs/dbraw/zinc/56/69/70/982566970.db2.gz BLFGNDMIAFKTST-JGVFFNPUSA-N -1 3 241.262 2.045 20 0 BEADHM C[C@H](CC(=O)[O-])[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC001589004255 982568738 /nfs/dbraw/zinc/56/87/38/982568738.db2.gz BLFGNDMIAFKTST-SFYZADRCSA-N -1 3 241.262 2.045 20 0 BEADHM C[C@H](CC(=O)[O-])N[C@H](C)c1cccnc1Cl ZINC001589004891 982570061 /nfs/dbraw/zinc/57/00/61/982570061.db2.gz UNFASXKTQJNHQE-HTQZYQBOSA-N -1 3 242.706 2.249 20 0 BEADHM C=CS(=O)(=O)[N-]c1ccc(Cl)cc1OC ZINC001198608957 982798783 /nfs/dbraw/zinc/79/87/83/982798783.db2.gz LGIWAJYCTGZWLY-UHFFFAOYSA-N -1 3 247.703 2.234 20 0 BEADHM CC1(CNc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001590135250 982893019 /nfs/dbraw/zinc/89/30/19/982893019.db2.gz JMHLNITZYBKJBE-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM CC1(CNc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001590135250 982893023 /nfs/dbraw/zinc/89/30/23/982893023.db2.gz JMHLNITZYBKJBE-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM CC1(C)C[C@@H]1Nc1cc(F)ccc1-c1nnn[n-]1 ZINC001590112787 982894550 /nfs/dbraw/zinc/89/45/50/982894550.db2.gz GRFPDCRERMRYFO-JTQLQIEISA-N -1 3 247.277 2.216 20 0 BEADHM CC1(C)C[C@@H]1Nc1cc(F)ccc1-c1nn[n-]n1 ZINC001590112787 982894551 /nfs/dbraw/zinc/89/45/51/982894551.db2.gz GRFPDCRERMRYFO-JTQLQIEISA-N -1 3 247.277 2.216 20 0 BEADHM S=c1ccc(-c2ccc3[nH]cnc3c2)n[n-]1 ZINC001241692592 982946541 /nfs/dbraw/zinc/94/65/41/982946541.db2.gz OMHKCGFYVPBQEY-UHFFFAOYSA-N -1 3 228.280 2.309 20 0 BEADHM CCC[C@H](CC)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001590553626 982955300 /nfs/dbraw/zinc/95/53/00/982955300.db2.gz HXNPAFBDZVPXPY-JTQLQIEISA-N -1 3 246.318 2.252 20 0 BEADHM CCC[C@H](CC)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001590553626 982955309 /nfs/dbraw/zinc/95/53/09/982955309.db2.gz HXNPAFBDZVPXPY-JTQLQIEISA-N -1 3 246.318 2.252 20 0 BEADHM CCCCNc1ccc(-c2nn[n-]n2)cc1OC ZINC001590605454 982962270 /nfs/dbraw/zinc/96/22/70/982962270.db2.gz CGPCOBAFANOQOW-UHFFFAOYSA-N -1 3 247.302 2.087 20 0 BEADHM Cc1cc(F)c(-c2nnn[n-]2)c(NC2CCC2)c1 ZINC001591979400 983106761 /nfs/dbraw/zinc/10/67/61/983106761.db2.gz JOUSNBBOBCOFPF-UHFFFAOYSA-N -1 3 247.277 2.279 20 0 BEADHM Cc1cc(F)c(-c2nn[n-]n2)c(NC2CCC2)c1 ZINC001591979400 983106768 /nfs/dbraw/zinc/10/67/68/983106768.db2.gz JOUSNBBOBCOFPF-UHFFFAOYSA-N -1 3 247.277 2.279 20 0 BEADHM Cc1cc(N[C@H]2CC[C@H]2C)cc(-c2nnn[n-]2)c1 ZINC001592037459 983110593 /nfs/dbraw/zinc/11/05/93/983110593.db2.gz OIJHSAIJCXNQNM-SKDRFNHKSA-N -1 3 243.314 2.386 20 0 BEADHM Cc1cc(N[C@H]2CC[C@H]2C)cc(-c2nn[n-]n2)c1 ZINC001592037459 983110601 /nfs/dbraw/zinc/11/06/01/983110601.db2.gz OIJHSAIJCXNQNM-SKDRFNHKSA-N -1 3 243.314 2.386 20 0 BEADHM CCCc1nc(C)c(C[N-]c2nc(C)no2)o1 ZINC001354198280 983190153 /nfs/dbraw/zinc/19/01/53/983190153.db2.gz GTOBNORWUSHFMU-UHFFFAOYSA-N -1 3 236.275 2.239 20 0 BEADHM [O-]c1cccc(Cl)c1NC(=S)NC1CC1 ZINC001200630152 983278526 /nfs/dbraw/zinc/27/85/26/983278526.db2.gz GVYJZSZSCCQDJF-UHFFFAOYSA-N -1 3 242.731 2.494 20 0 BEADHM O=C1Cc2cc(-c3ccc(F)cc3[O-])cnc2N1 ZINC001242217469 983415468 /nfs/dbraw/zinc/41/54/68/983415468.db2.gz CDQPNXYNBMZKMQ-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM CCCC=Cc1cncc(-c2nnn[n-]2)c1 ZINC001242254464 983475295 /nfs/dbraw/zinc/47/52/95/983475295.db2.gz WZDYJAXOVXJPNN-SNAWJCMRSA-N -1 3 215.260 2.075 20 0 BEADHM CCCC=Cc1cncc(-c2nn[n-]n2)c1 ZINC001242254464 983475310 /nfs/dbraw/zinc/47/53/10/983475310.db2.gz WZDYJAXOVXJPNN-SNAWJCMRSA-N -1 3 215.260 2.075 20 0 BEADHM Cc1cccc(NC(=O)Nc2cnc[n-]c2=O)c1 ZINC001202307052 983614848 /nfs/dbraw/zinc/61/48/48/983614848.db2.gz NZVANKDEJNYHND-UHFFFAOYSA-N -1 3 244.254 2.135 20 0 BEADHM Cc1c(C(N)=O)cncc1-c1cccc(F)c1[O-] ZINC001242350160 983619974 /nfs/dbraw/zinc/61/99/74/983619974.db2.gz ARHIPCPWODXYCZ-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM [O-]c1c(F)cccc1-c1cccc2nncn21 ZINC001242351864 983626173 /nfs/dbraw/zinc/62/61/73/983626173.db2.gz YHUSETMHXJJDOO-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM CC(=O)c1cc(-c2ccc(=S)[n-]n2)ccn1 ZINC001242609694 983974560 /nfs/dbraw/zinc/97/45/60/983974560.db2.gz YAVOUFYEHCUVPW-UHFFFAOYSA-N -1 3 231.280 2.030 20 0 BEADHM COc1cc(-c2ccc(=S)[n-]n2)cc(C)n1 ZINC001242746456 984101161 /nfs/dbraw/zinc/10/11/61/984101161.db2.gz BBCKVSBVGBMIJD-UHFFFAOYSA-N -1 3 233.296 2.144 20 0 BEADHM CC=C(C)c1ccc2[n-]c(C(=O)OC)nc2n1 ZINC001242760500 984124600 /nfs/dbraw/zinc/12/46/00/984124600.db2.gz QLPNUZBRSTXHEB-QPJJXVBHSA-N -1 3 231.255 2.168 20 0 BEADHM CC=C(C)c1ccc2nc(C(=O)OC)[n-]c2n1 ZINC001242760500 984124601 /nfs/dbraw/zinc/12/46/01/984124601.db2.gz QLPNUZBRSTXHEB-QPJJXVBHSA-N -1 3 231.255 2.168 20 0 BEADHM CC=C(C)c1ccc2nc(C(=O)OC)nc-2[n-]1 ZINC001242760500 984124606 /nfs/dbraw/zinc/12/46/06/984124606.db2.gz QLPNUZBRSTXHEB-QPJJXVBHSA-N -1 3 231.255 2.168 20 0 BEADHM Cc1cnc(F)cc1Nc1cc(=O)[n-]c(C)n1 ZINC001212846959 984282123 /nfs/dbraw/zinc/28/21/23/984282123.db2.gz TYSVGUWEAMDSHK-UHFFFAOYSA-N -1 3 234.234 2.077 20 0 BEADHM O=C1Cc2ccc(-c3ccc(F)c([O-])c3)nc2N1 ZINC001243047243 984391799 /nfs/dbraw/zinc/39/17/99/984391799.db2.gz DDWCICGFDALHBK-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM O=C1Cc2cc(-c3ccc(F)c([O-])c3)ncc2N1 ZINC001243048473 984394827 /nfs/dbraw/zinc/39/48/27/984394827.db2.gz LLHPPTWRPLLOPU-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM CCOc1ccc(-c2ccc(F)c([O-])c2)nn1 ZINC001243048052 984396899 /nfs/dbraw/zinc/39/68/99/984396899.db2.gz KAWPOFOJHIISSZ-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM [O-]c1cc(-c2cnc3cc[nH]c3n2)ccc1F ZINC001243049396 984398784 /nfs/dbraw/zinc/39/87/84/984398784.db2.gz SMUZUHAZYSCFGJ-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM O=C1NCc2cc(-c3ccc(F)c([O-])c3)ccc21 ZINC001243050167 984400391 /nfs/dbraw/zinc/40/03/91/984400391.db2.gz RIIJQIITSFVFOV-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM [O-]c1cc(-c2ccnc3[nH]cnc32)ccc1F ZINC001243050417 984402436 /nfs/dbraw/zinc/40/24/36/984402436.db2.gz VNNPZBXSAFZXCZ-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM CN(C)c1cnc(-c2ccc(F)c([O-])c2)cn1 ZINC001243053465 984408384 /nfs/dbraw/zinc/40/83/84/984408384.db2.gz DSDKASYFDPYURJ-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM CN(C)c1nccc(-c2ccc(F)c([O-])c2)n1 ZINC001243054951 984421179 /nfs/dbraw/zinc/42/11/79/984421179.db2.gz VSMSVBBDAUQDOU-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM Cc1nc(NC2CCC(F)(F)CC2)cc(=O)[n-]1 ZINC000390050243 984552408 /nfs/dbraw/zinc/55/24/08/984552408.db2.gz MHAFCDXUNFXYCC-UHFFFAOYSA-N -1 3 243.257 2.480 20 0 BEADHM Cc1ccc(-c2ccnc(CN)c2)cc1C(=O)[O-] ZINC001243198092 984682881 /nfs/dbraw/zinc/68/28/81/984682881.db2.gz XENBZNKZTIKNNE-UHFFFAOYSA-N -1 3 242.278 2.214 20 0 BEADHM C[C@H]1C[C@@H]1c1nnc(-c2ccc(F)c(=O)[n-]2)o1 ZINC001256726132 984801306 /nfs/dbraw/zinc/80/13/06/984801306.db2.gz IKYPZKJSAIXNMU-WDSKDSINSA-N -1 3 235.218 2.100 20 0 BEADHM [O-]c1cccc(-c2cnc3nccn3c2)c1F ZINC001243544270 985071098 /nfs/dbraw/zinc/07/10/98/985071098.db2.gz GFPADRQJXSQIBO-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cc1cc(-c2cccc([O-])c2F)ncn1 ZINC001243540762 985071600 /nfs/dbraw/zinc/07/16/00/985071600.db2.gz APKOPRLOSQZIKO-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM CN(C)c1cncc(-c2cccc([O-])c2F)n1 ZINC001243541437 985071655 /nfs/dbraw/zinc/07/16/55/985071655.db2.gz BGLHQXGBSLEIKS-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM COc1nnc(-c2cccc([O-])c2F)cc1C ZINC001243543120 985074576 /nfs/dbraw/zinc/07/45/76/985074576.db2.gz QKCLJBMYZMBCAX-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM CCOc1nccc(-c2cccc([O-])c2F)n1 ZINC001243543594 985075217 /nfs/dbraw/zinc/07/52/17/985075217.db2.gz UJVRFHUCEDVPAW-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM COc1cc(C)c(-c2cccc([O-])c2F)nn1 ZINC001243542155 985078538 /nfs/dbraw/zinc/07/85/38/985078538.db2.gz LXBMVSJNWSNDFO-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM [O-]c1cccc(-c2cccc3ncnn32)c1F ZINC001243544198 985081194 /nfs/dbraw/zinc/08/11/94/985081194.db2.gz DGNCPZNXYOZPRW-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cc1cc(-c2cccc([O-])c2F)cn(C)c1=O ZINC001243545448 985082407 /nfs/dbraw/zinc/08/24/07/985082407.db2.gz LPMJJVBQVXSGAO-UHFFFAOYSA-N -1 3 233.242 2.205 20 0 BEADHM Nc1cc(-c2cccc([O-])c2F)ccn1 ZINC001243544981 985083256 /nfs/dbraw/zinc/08/32/56/985083256.db2.gz MFCPFVPHADWBOM-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM Cc1ncnc(-c2cccc([O-])c2F)c1F ZINC001243544800 985087001 /nfs/dbraw/zinc/08/70/01/985087001.db2.gz ZFAYKNUJLNYMPV-UHFFFAOYSA-N -1 3 222.194 2.436 20 0 BEADHM [O-]c1cccc(-c2ccc3ncnn3c2)c1F ZINC001243546419 985087372 /nfs/dbraw/zinc/08/73/72/985087372.db2.gz MOQGBRJKBKUIMJ-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM NC(=O)c1ccc(F)cc1-c1cccc([O-])c1F ZINC001243546647 985091755 /nfs/dbraw/zinc/09/17/55/985091755.db2.gz RKIJXGFLMCFEHD-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM [O-]c1cc(C(F)(F)F)ccc1-c1cnnnc1 ZINC001243612229 985150940 /nfs/dbraw/zinc/15/09/40/985150940.db2.gz VAVIWPFFLLTBTB-UHFFFAOYSA-N -1 3 241.172 2.263 20 0 BEADHM Cc1cccc(C(=O)Nc2cc(F)ccn2)c1[O-] ZINC001457932524 985249179 /nfs/dbraw/zinc/24/91/79/985249179.db2.gz LHLAHAFIFZRZGU-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Nc1ncc(-c2c([O-])cccc2Cl)cn1 ZINC001244049378 985732646 /nfs/dbraw/zinc/73/26/46/985732646.db2.gz ZGJIHUGOEAGGEZ-UHFFFAOYSA-N -1 3 221.647 2.085 20 0 BEADHM O=C(NC1CC2(CSC2)C1)c1ccccc1[O-] ZINC000717919666 985761448 /nfs/dbraw/zinc/76/14/48/985761448.db2.gz JFDBVHHEBZXFBJ-UHFFFAOYSA-N -1 3 249.335 2.018 20 0 BEADHM Cn1cnc(-c2c([O-])cccc2Cl)c1 ZINC001244034327 985770419 /nfs/dbraw/zinc/77/04/19/985770419.db2.gz XOVZMLXELKUPNT-UHFFFAOYSA-N -1 3 208.648 2.446 20 0 BEADHM Cc1[nH]c(CN2CCCCC2)cc1C(=O)[O-] ZINC001599964088 985860150 /nfs/dbraw/zinc/86/01/50/985860150.db2.gz WLWVMPSSAWCMHS-UHFFFAOYSA-N -1 3 222.288 2.007 20 0 BEADHM OCc1c(F)cccc1-c1ccc(=S)[n-]n1 ZINC001244558042 986226419 /nfs/dbraw/zinc/22/64/19/986226419.db2.gz DUKMVJGWYZNDOM-UHFFFAOYSA-N -1 3 236.271 2.064 20 0 BEADHM Cc1cc(-c2cnc(CN)nc2)cc(Cl)c1[O-] ZINC001244548236 986239614 /nfs/dbraw/zinc/23/96/14/986239614.db2.gz YSQWYFNEMPIHDU-UHFFFAOYSA-N -1 3 249.701 2.270 20 0 BEADHM CCCCCC[C@H](C)[N-]S(=O)(=O)C(F)F ZINC001259963107 986384170 /nfs/dbraw/zinc/38/41/70/986384170.db2.gz QRTKSXWYPGRLCQ-QMMMGPOBSA-N -1 3 243.319 2.487 20 0 BEADHM C[C@@]1(CNCc2cc(C(=O)[O-])co2)CC1(F)F ZINC000689362247 986540617 /nfs/dbraw/zinc/54/06/17/986540617.db2.gz YYKAVWLZSHFCLV-JTQLQIEISA-N -1 3 245.225 2.113 20 0 BEADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(F)CC1 ZINC000689452163 986619338 /nfs/dbraw/zinc/61/93/38/986619338.db2.gz KPDFXEHVABJCPZ-QMMMGPOBSA-N -1 3 241.262 2.473 20 0 BEADHM NC(=O)c1ccc(-c2ccc([O-])cc2Cl)nc1 ZINC001245081678 986644252 /nfs/dbraw/zinc/64/42/52/986644252.db2.gz KDUNHAJRSAYSBJ-UHFFFAOYSA-N -1 3 248.669 2.207 20 0 BEADHM Cn1cnc(-c2ccc([O-])cc2Cl)c1 ZINC001245080815 986647392 /nfs/dbraw/zinc/64/73/92/986647392.db2.gz ZVNJWBMSVYUZCK-UHFFFAOYSA-N -1 3 208.648 2.446 20 0 BEADHM CC1CC(CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590190538 986650696 /nfs/dbraw/zinc/65/06/96/986650696.db2.gz ABTZJAUNLOMCHG-UHFFFAOYSA-N -1 3 243.314 2.325 20 0 BEADHM Cc1ccc(NCc2ncccc2[O-])nc1 ZINC000390640619 986851591 /nfs/dbraw/zinc/85/15/91/986851591.db2.gz MUKYWSSGVLTNTI-UHFFFAOYSA-N -1 3 215.256 2.103 20 0 BEADHM NCc1cccc(-c2c([O-])cccc2F)n1 ZINC001245653294 987024808 /nfs/dbraw/zinc/02/48/08/987024808.db2.gz GWIDTLXNGXEBHV-UHFFFAOYSA-N -1 3 218.231 2.052 20 0 BEADHM [O-]c1cccc(F)c1-c1cnc(F)nc1 ZINC001245653117 987025103 /nfs/dbraw/zinc/02/51/03/987025103.db2.gz KYYNBTYNNUGGGO-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM [O-]c1cccc(F)c1-c1cccc2nncn21 ZINC001245653881 987028420 /nfs/dbraw/zinc/02/84/20/987028420.db2.gz APBMAJZDHKMWLM-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cc1cc(-c2c([O-])cccc2F)cn(C)c1=O ZINC001245655530 987030225 /nfs/dbraw/zinc/03/02/25/987030225.db2.gz DTXDTBQNKMQLFW-UHFFFAOYSA-N -1 3 233.242 2.205 20 0 BEADHM NC(=O)c1cccc(-c2c([O-])cccc2F)c1 ZINC001245655397 987030293 /nfs/dbraw/zinc/03/02/93/987030293.db2.gz JICFBXMXGFGEKV-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM COC(=O)c1ccc(-c2c([O-])cccc2F)cn1 ZINC001245655139 987032933 /nfs/dbraw/zinc/03/29/33/987032933.db2.gz VNQMIXCSKFUOEI-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM O=c1occ2[nH]cc(-c3c([O-])cccc3F)cc1-2 ZINC001245656355 987037623 /nfs/dbraw/zinc/03/76/23/987037623.db2.gz IVKSKWNDFGQDTO-UHFFFAOYSA-N -1 3 245.209 2.264 20 0 BEADHM [O-]c1cccc(F)c1-c1cccn2cnnc12 ZINC001245656071 987041521 /nfs/dbraw/zinc/04/15/21/987041521.db2.gz LRKVBZRROQNRMS-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM CCc1[nH]c(CN2CC[C@@H]3C[C@@H]3C2)cc1C(=O)[O-] ZINC001597384339 987588258 /nfs/dbraw/zinc/58/82/58/987588258.db2.gz JWEVCKBLRSQRCD-NXEZZACHSA-N -1 3 248.326 2.117 20 0 BEADHM O=C([O-])CCN1CC2(CCC2)[C@H]1c1ccco1 ZINC001595055500 988114662 /nfs/dbraw/zinc/11/46/62/988114662.db2.gz LXCMOTZFDFPQSC-GFCCVEGCSA-N -1 3 235.283 2.281 20 0 BEADHM O=C(Cc1ccccc1)[N-]OC/C=C\Cl ZINC001324251434 988771061 /nfs/dbraw/zinc/77/10/61/988771061.db2.gz ODOUGGANXLIKLN-DAXSKMNVSA-N -1 3 225.675 2.029 20 0 BEADHM CC(C)O[N-]C(=O)Cc1coc2ccccc12 ZINC001324624231 988895456 /nfs/dbraw/zinc/89/54/56/988895456.db2.gz KMFIFUAXENVZSC-UHFFFAOYSA-N -1 3 233.267 2.432 20 0 BEADHM Cc1cc(C(=O)[N-]c2nc(C3CC3)no2)oc1C ZINC001119442236 989076288 /nfs/dbraw/zinc/07/62/88/989076288.db2.gz OHWARNJJQDZNSF-UHFFFAOYSA-N -1 3 247.254 2.409 20 0 BEADHM CCC(C)=CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001518424442 989305509 /nfs/dbraw/zinc/30/55/09/989305509.db2.gz FKOGBWWOHRUMPN-FPLPWBNLSA-N -1 3 246.270 2.360 20 0 BEADHM FC(F)(F)c1cnccc1[N-]c1ncco1 ZINC001249582807 989316852 /nfs/dbraw/zinc/31/68/52/989316852.db2.gz FWOWWKVYFHETEO-UHFFFAOYSA-N -1 3 229.161 2.254 20 0 BEADHM O=C([N-]OCC(F)F)C12CCC(CC1)CC2 ZINC001120721091 989847760 /nfs/dbraw/zinc/84/77/60/989847760.db2.gz FJDBQXSAVATJRC-UHFFFAOYSA-N -1 3 233.258 2.270 20 0 BEADHM Cc1cc(=O)[n-]c(N2CC[C@@H](c3ccco3)C2)n1 ZINC001120896945 989954259 /nfs/dbraw/zinc/95/42/59/989954259.db2.gz USBBVPWVMIFLNK-SNVBAGLBSA-N -1 3 245.282 2.078 20 0 BEADHM CCN(OC)C(=O)c1cc([O-])ccc1Cl ZINC001529028636 990328089 /nfs/dbraw/zinc/32/80/89/990328089.db2.gz WJVQWAOYUSSTDT-UHFFFAOYSA-N -1 3 229.663 2.069 20 0 BEADHM Cc1noc(C)c1[N-]C(=O)c1ncccc1F ZINC001535348790 990468181 /nfs/dbraw/zinc/46/81/81/990468181.db2.gz CVTFUZMNQNEUEP-UHFFFAOYSA-N -1 3 235.218 2.078 20 0 BEADHM CCc1ocnc1C(=O)[N-]c1nocc1C1CC1 ZINC001537276813 990499113 /nfs/dbraw/zinc/49/91/13/990499113.db2.gz DCLMYJIFWCWMNH-UHFFFAOYSA-N -1 3 247.254 2.355 20 0 BEADHM Cc1ncc(C(=O)[N-]c2conc2C)s1 ZINC001537836936 990518226 /nfs/dbraw/zinc/51/82/26/990518226.db2.gz MIKQGJXAKRHZHX-UHFFFAOYSA-N -1 3 223.257 2.000 20 0 BEADHM O=C([O-])[C@]1(F)CCN([C@@H]2CCc3ccccc32)C1 ZINC001608575115 990654755 /nfs/dbraw/zinc/65/47/55/990654755.db2.gz DCHRETNFIGXTGX-OCCSQVGLSA-N -1 3 249.285 2.173 20 0 BEADHM C[C@]1(F)CCCN(Cc2ccncc2[O-])C1 ZINC001140274219 991582129 /nfs/dbraw/zinc/58/21/29/991582129.db2.gz XEXLFVSVLLESTE-LBPRGKRZSA-N -1 3 224.279 2.111 20 0 BEADHM CC[C@H](C[C@@H](C)CC)Nc1cnc(C)[n-]c1=O ZINC001258787562 991762619 /nfs/dbraw/zinc/76/26/19/991762619.db2.gz UUDRDYNWOAMULX-WCQGTBRESA-N -1 3 237.347 2.189 20 0 BEADHM CC/C=C/[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001259314496 991958080 /nfs/dbraw/zinc/95/80/80/991958080.db2.gz CEPIWNVUIOUZMK-ONEGZZNKSA-N -1 3 247.266 2.167 20 0 BEADHM Cc1cccc([C@H](C)[N-]S(=O)(=O)C(F)F)c1 ZINC001259960743 992061610 /nfs/dbraw/zinc/06/16/10/992061610.db2.gz JWRNTBFCTFAZIO-QMMMGPOBSA-N -1 3 249.282 2.198 20 0 BEADHM CCCC(CCC)[N-]S(=O)(=O)C(F)F ZINC001259960112 992065465 /nfs/dbraw/zinc/06/54/65/992065465.db2.gz JFSWOCOLCDXWGT-UHFFFAOYSA-N -1 3 229.292 2.097 20 0 BEADHM CC[C@H](C)S(=O)(=O)[N-]c1nc(C)ccc1C ZINC001260725077 992138570 /nfs/dbraw/zinc/13/85/70/992138570.db2.gz AUUBUTCOFPAQHZ-JTQLQIEISA-N -1 3 242.344 2.239 20 0 BEADHM CC(C)(C)O[N-]C(=O)CCCC1CCOCC1 ZINC001321164216 992475280 /nfs/dbraw/zinc/47/52/80/992475280.db2.gz DASWJUBJYDWWLT-UHFFFAOYSA-N -1 3 243.347 2.430 20 0 BEADHM C[C@H]1CCC(C)(C)N1C(=O)c1ccc(N)cc1[O-] ZINC001262037457 992624663 /nfs/dbraw/zinc/62/46/63/992624663.db2.gz XLMCMCZBPYIZBU-VIFPVBQESA-N -1 3 248.326 2.378 20 0 BEADHM Cc1oc(C(=O)[O-])cc1CN[C@H]1C=CCCC1 ZINC001262158957 992714226 /nfs/dbraw/zinc/71/42/26/992714226.db2.gz CXBPOHYBTGBSGE-NSHDSACASA-N -1 3 235.283 2.485 20 0 BEADHM COc1cccc(C(=O)[O-])c1CN1C[C@H](C)[C@@H]1C ZINC001599645166 994416010 /nfs/dbraw/zinc/41/60/10/994416010.db2.gz PDVGANJRWMEDMC-UWVGGRQHSA-N -1 3 249.310 2.234 20 0 BEADHM C[C@@H](NC/C=C\C1CC1)c1cncc(C(=O)[O-])c1 ZINC001593256256 994520398 /nfs/dbraw/zinc/52/03/98/994520398.db2.gz GMRVYIVZKHZSIY-MXQLGCADSA-N -1 3 246.310 2.397 20 0 BEADHM C[C@@H](NCCc1ccco1)c1cc(C(=O)[O-])co1 ZINC001593274219 994624340 /nfs/dbraw/zinc/62/43/40/994624340.db2.gz KCSOORBWXNFLCW-SECBINFHSA-N -1 3 249.266 2.464 20 0 BEADHM O=C(N[C@@H]1CCCC[C@@H]1F)c1ccccc1[O-] ZINC001302059555 995109577 /nfs/dbraw/zinc/10/95/77/995109577.db2.gz FUWPMBPDQZTGEP-WDEREUQCSA-N -1 3 237.274 2.403 20 0 BEADHM C[C@@H]1C[C@@H](C)N1Cc1ccccc1OCC(=O)[O-] ZINC001594231532 998880412 /nfs/dbraw/zinc/88/04/12/998880412.db2.gz CJDNFJRDRBAJED-GHMZBOCLSA-N -1 3 249.310 2.133 20 0 BEADHM C[C@H]1C[C@H](C)N1Cc1ccccc1OCC(=O)[O-] ZINC001594231537 998880548 /nfs/dbraw/zinc/88/05/48/998880548.db2.gz CJDNFJRDRBAJED-QWRGUYRKSA-N -1 3 249.310 2.133 20 0 BEADHM O=C([O-])c1cccc(CNC/C=C\Cl)c1 ZINC001608931150 1170209062 /nfs/dbraw/zinc/20/90/62/1170209062.db2.gz ARHLRZYRJMHLLR-DJWKRKHSSA-N -1 3 225.675 2.227 20 0 BEADHM CC[C@@H](C)Nc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001609186853 1170234546 /nfs/dbraw/zinc/23/45/46/1170234546.db2.gz MIICTJSUQVRVJJ-MRVPVSSYSA-N -1 3 246.318 2.089 20 0 BEADHM CC[C@@H](C)Nc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001609186853 1170234553 /nfs/dbraw/zinc/23/45/53/1170234553.db2.gz MIICTJSUQVRVJJ-MRVPVSSYSA-N -1 3 246.318 2.089 20 0 BEADHM CC[C@H](C)Nc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001609186854 1170238645 /nfs/dbraw/zinc/23/86/45/1170238645.db2.gz MIICTJSUQVRVJJ-QMMMGPOBSA-N -1 3 246.318 2.089 20 0 BEADHM CC[C@H](C)Nc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001609186854 1170238649 /nfs/dbraw/zinc/23/86/49/1170238649.db2.gz MIICTJSUQVRVJJ-QMMMGPOBSA-N -1 3 246.318 2.089 20 0 BEADHM Cc1cc(NC[C@H]2C[C@@H]2C)cc(-c2nnn[n-]2)c1 ZINC001609409843 1170254700 /nfs/dbraw/zinc/25/47/00/1170254700.db2.gz YYNJKMYOOYNLCN-GXSJLCMTSA-N -1 3 243.314 2.243 20 0 BEADHM Cc1cc(NC[C@H]2C[C@@H]2C)cc(-c2nn[n-]n2)c1 ZINC001609409843 1170254710 /nfs/dbraw/zinc/25/47/10/1170254710.db2.gz YYNJKMYOOYNLCN-GXSJLCMTSA-N -1 3 243.314 2.243 20 0 BEADHM C[C@H]1c2cccn2CCN1CC1(CC(=O)[O-])CC1 ZINC001609885401 1170309178 /nfs/dbraw/zinc/30/91/78/1170309178.db2.gz NRNGBDCKHUBZBN-NSHDSACASA-N -1 3 248.326 2.120 20 0 BEADHM CCCCCNC(C)(C)c1nocc1C(=O)[O-] ZINC001609965777 1170333621 /nfs/dbraw/zinc/33/36/21/1170333621.db2.gz AMGNEBOGTFEVGP-UHFFFAOYSA-N -1 3 240.303 2.388 20 0 BEADHM CCc1oc(CNCC[C@H](C)F)cc1C(=O)[O-] ZINC001610081677 1170347794 /nfs/dbraw/zinc/34/77/94/1170347794.db2.gz QCFIINLZNREVNE-QMMMGPOBSA-N -1 3 243.278 2.378 20 0 BEADHM O=C(CCF)Nc1ccc(Cl)cc1[O-] ZINC001610900273 1170422846 /nfs/dbraw/zinc/42/28/46/1170422846.db2.gz REKDRMSAOQPWJY-UHFFFAOYSA-N -1 3 217.627 2.344 20 0 BEADHM CO[N-]C(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001629513466 1171325822 /nfs/dbraw/zinc/32/58/22/1171325822.db2.gz SEAFKWIXZPAOFX-UHFFFAOYSA-N -1 3 234.082 2.214 20 0 BEADHM CCC(CC)(NCc1csc(C)n1)C(=O)[O-] ZINC000041835997 168332391 /nfs/dbraw/zinc/33/23/91/168332391.db2.gz ANLFRXBGDPTJKY-UHFFFAOYSA-N -1 3 242.344 2.185 20 0 BEADHM Cc1cc(C[N-]c2nc(C(C)C)no2)on1 ZINC000119868496 178044516 /nfs/dbraw/zinc/04/45/16/178044516.db2.gz FYQBPZVSOMOXDM-UHFFFAOYSA-N -1 3 222.248 2.102 20 0 BEADHM O=c1[n-]c(COC2CCCC2)nc2cccnc21 ZINC000491606948 538921381 /nfs/dbraw/zinc/92/13/81/538921381.db2.gz KBQJVJQEUHLJKJ-UHFFFAOYSA-N -1 3 245.282 2.190 20 0 BEADHM CCc1cccc(C(=O)N[C@@H]2CC23CC3)c1[O-] ZINC000521032536 398199729 /nfs/dbraw/zinc/19/97/29/398199729.db2.gz WGLMDJBNANLBDN-LLVKDONJSA-N -1 3 231.295 2.237 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CC1(C)C ZINC000624524935 343981765 /nfs/dbraw/zinc/98/17/65/343981765.db2.gz KDLFRGCRNWGDEY-SNVBAGLBSA-N -1 3 219.284 2.229 20 0 BEADHM CCC(CC)C(=O)Nc1ccncc1[O-] ZINC000135401352 168341637 /nfs/dbraw/zinc/34/16/37/168341637.db2.gz KDNHIBABURNGPX-UHFFFAOYSA-N -1 3 208.261 2.162 20 0 BEADHM Cc1cc([N-]C(=O)c2cc(C(C)C)on2)no1 ZINC000002498028 178149323 /nfs/dbraw/zinc/14/93/23/178149323.db2.gz JHLLHZZTXIRHMN-UHFFFAOYSA-N -1 3 235.243 2.347 20 0 BEADHM C[C@@H](NC(=O)c1cccc([O-])c1)C1CCC1 ZINC000163688605 538929985 /nfs/dbraw/zinc/92/99/85/538929985.db2.gz GPDXYBKTJVIFNU-SECBINFHSA-N -1 3 219.284 2.311 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCCCC2)n1 ZINC000177911643 178202797 /nfs/dbraw/zinc/20/27/97/178202797.db2.gz LYQGKDATVSBQRE-SNVBAGLBSA-N -1 3 221.304 2.038 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)S[C@H](C)[C@@H](C)O)n1 ZINC000121204901 178202991 /nfs/dbraw/zinc/20/29/91/178202991.db2.gz PHAILKIRPUAGTB-HLTSFMKQSA-N -1 3 242.344 2.054 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2C[C@H]3CCCC[C@H]32)n1 ZINC000368083361 178203100 /nfs/dbraw/zinc/20/31/00/178203100.db2.gz LBAPUQOEIARFOK-IJLUTSLNSA-N -1 3 247.342 2.426 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N(C)CCC2CC2)n1 ZINC000192695570 178203260 /nfs/dbraw/zinc/20/32/60/178203260.db2.gz ACIOOBHFGWJFMA-JTQLQIEISA-N -1 3 235.331 2.284 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](C)[C@@H]2C)n1 ZINC000192612467 178203765 /nfs/dbraw/zinc/20/37/65/178203765.db2.gz FWKAMTLQWUXJHG-INTQDDNPSA-N -1 3 235.331 2.282 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)S[C@@H](C)[C@@H](C)O)n1 ZINC000121204569 178203796 /nfs/dbraw/zinc/20/37/96/178203796.db2.gz PHAILKIRPUAGTB-VGMNWLOBSA-N -1 3 242.344 2.054 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC3(CCC3)C2)n1 ZINC000192620756 178204180 /nfs/dbraw/zinc/20/41/80/178204180.db2.gz RFDXPNUJWLMCOF-LLVKDONJSA-N -1 3 247.342 2.428 20 0 BEADHM Cc1ccc(NC(=O)CN(C)C2CCC2)c([O-])c1 ZINC000629943914 361789660 /nfs/dbraw/zinc/78/96/60/361789660.db2.gz DCJPKIKWOLMUTM-UHFFFAOYSA-N -1 3 248.326 2.123 20 0 BEADHM Cc1cnc([C@H](C)NCc2ncccc2[O-])s1 ZINC000576671130 365654083 /nfs/dbraw/zinc/65/40/83/365654083.db2.gz CGIIZNASMYEJDO-VIFPVBQESA-N -1 3 249.339 2.403 20 0 BEADHM Cc1ccc(C(=O)N2CCC[C@H]2CF)c([O-])c1 ZINC000293916340 178391215 /nfs/dbraw/zinc/39/12/15/178391215.db2.gz ARBVSXYAOSWDNV-JTQLQIEISA-N -1 3 237.274 2.275 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1C[C@H]1C ZINC000179555401 538955817 /nfs/dbraw/zinc/95/58/17/538955817.db2.gz JFPBNBSXZIKDPM-BDAKNGLRSA-N -1 3 205.257 2.295 20 0 BEADHM Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]2C)c([O-])c1C ZINC000294432046 178398394 /nfs/dbraw/zinc/39/83/94/178398394.db2.gz ZVJIFAOFGZBQRY-KOLCDFICSA-N -1 3 233.311 2.489 20 0 BEADHM Cc1ccc(C(=O)N2C[C@@H](C)[C@H]2C)c([O-])c1C ZINC000294432052 178398477 /nfs/dbraw/zinc/39/84/77/178398477.db2.gz ZVJIFAOFGZBQRY-MWLCHTKSSA-N -1 3 233.311 2.489 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H](C)OCC1CC1 ZINC000179546463 538955450 /nfs/dbraw/zinc/95/54/50/538955450.db2.gz GITRAFPEVKDHBK-JTQLQIEISA-N -1 3 249.310 2.454 20 0 BEADHM Cc1noc(C)c1[N-]C(=O)c1ccc(F)cn1 ZINC000334925718 398274640 /nfs/dbraw/zinc/27/46/40/398274640.db2.gz INQFIQMCDGAQND-UHFFFAOYSA-N -1 3 235.218 2.078 20 0 BEADHM CCC(CC)NC(=O)c1cc(OC)ccc1[O-] ZINC000051770550 168385757 /nfs/dbraw/zinc/38/57/57/168385757.db2.gz SYIGOOFBXOMYFO-UHFFFAOYSA-N -1 3 237.299 2.319 20 0 BEADHM CCC(CC)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000330640645 168389558 /nfs/dbraw/zinc/38/95/58/168389558.db2.gz CUNOGKCXABYURW-UHFFFAOYSA-N -1 3 231.317 2.055 20 0 BEADHM C[C@@H]1CCc2[n-]n(Cc3ccccc3)c(=O)c21 ZINC000634584341 342837226 /nfs/dbraw/zinc/83/72/26/342837226.db2.gz ZVHHZUPEKMRBRE-MFKMUULPSA-N -1 3 228.295 2.431 20 0 BEADHM C[C@H]1CCc2[n-]n(Cc3ccccc3)c(=O)c21 ZINC000634584340 342837346 /nfs/dbraw/zinc/83/73/46/342837346.db2.gz ZVHHZUPEKMRBRE-GXFFZTMASA-N -1 3 228.295 2.431 20 0 BEADHM O=C(N[C@@H]1CCC(F)(F)C1)c1ccccc1[O-] ZINC000384066914 539012240 /nfs/dbraw/zinc/01/22/40/539012240.db2.gz UNRZOBULHZKMGJ-MRVPVSSYSA-N -1 3 241.237 2.310 20 0 BEADHM CCc1c(=O)n(CC)[n-]c1-c1ccccc1 ZINC000634584510 342898724 /nfs/dbraw/zinc/89/87/24/342898724.db2.gz DTBBZGIYIURPSI-LLVKDONJSA-N -1 3 216.284 2.279 20 0 BEADHM C[C@@H](O)CCN(C)Cc1cc([O-])ccc1Cl ZINC000625183493 342903294 /nfs/dbraw/zinc/90/32/94/342903294.db2.gz KWYIMCQNSSAPKR-SECBINFHSA-N -1 3 243.734 2.248 20 0 BEADHM C[C@@H]1CCc2[n-]n(CC(C)(C)C)c(=O)c21 ZINC000634588502 342934237 /nfs/dbraw/zinc/93/42/37/342934237.db2.gz VFYCSVKIXLELKO-SCZZXKLOSA-N -1 3 208.305 2.277 20 0 BEADHM CC(C)O[N-]C(=O)/C=C\c1nc2ccccc2o1 ZINC000379030816 346892435 /nfs/dbraw/zinc/89/24/35/346892435.db2.gz WIZBFRGMWOTOEQ-FPLPWBNLSA-N -1 3 246.266 2.297 20 0 BEADHM CCc1[n-]n([C@@H]2CCCOC2)c(=O)c1C(C)C ZINC000634623007 343023877 /nfs/dbraw/zinc/02/38/77/343023877.db2.gz VBCJATBWNMZQFT-PWSUYJOCSA-N -1 3 238.331 2.046 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)/C=C/c1cncs1 ZINC000492922442 529669011 /nfs/dbraw/zinc/66/90/11/529669011.db2.gz LHLQQOXSIFQJBR-MOVJSRMASA-N -1 3 240.328 2.250 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)/C=C\c1cccnc1 ZINC000492916761 529669656 /nfs/dbraw/zinc/66/96/56/529669656.db2.gz BVDWLIBGLNWFRY-ZADCQDASSA-N -1 3 234.299 2.189 20 0 BEADHM Cc1cc(F)cc(C(=O)Nc2ncccc2[O-])c1 ZINC000175023523 362018731 /nfs/dbraw/zinc/01/87/31/362018731.db2.gz OSGVQYYRCOIEEI-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM C[C@@H]1CCN(Cc2ccoc2C(=O)[O-])C[C@@H]1C ZINC000130277052 343180908 /nfs/dbraw/zinc/18/09/08/343180908.db2.gz TVDLWEDQNSGPRY-ZJUUUORDSA-N -1 3 237.299 2.456 20 0 BEADHM C[C@@H]1C[C@H](C)CN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762034 343157031 /nfs/dbraw/zinc/15/70/31/343157031.db2.gz WMAUPZKXLBBSIL-PHIMTYICSA-N -1 3 248.326 2.258 20 0 BEADHM C[C@@H]1C[C@@H](C)CN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762036 343157168 /nfs/dbraw/zinc/15/71/68/343157168.db2.gz WMAUPZKXLBBSIL-GHMZBOCLSA-N -1 3 248.326 2.258 20 0 BEADHM CC1CCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC000094762050 343157171 /nfs/dbraw/zinc/15/71/71/343157171.db2.gz IKKLGMUNKXFVFW-UHFFFAOYSA-N -1 3 234.299 2.012 20 0 BEADHM CC[C@H]1CCN(Cc2ccoc2C(=O)[O-])C1 ZINC000166409564 343213137 /nfs/dbraw/zinc/21/31/37/343213137.db2.gz KVSUJUCJOXPIIS-VIFPVBQESA-N -1 3 223.272 2.210 20 0 BEADHM C[C@]1(CNC(=O)c2ccccc2[O-])CC1(F)F ZINC000618605412 343214968 /nfs/dbraw/zinc/21/49/68/343214968.db2.gz WIKJDOZPWMDERD-LLVKDONJSA-N -1 3 241.237 2.167 20 0 BEADHM CN(CCCC(=O)[O-])Cc1ccccc1F ZINC000032014938 343228539 /nfs/dbraw/zinc/22/85/39/343228539.db2.gz MDAGNCVJQZVGKI-UHFFFAOYSA-N -1 3 225.263 2.122 20 0 BEADHM CN(CCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000037853551 343358259 /nfs/dbraw/zinc/35/82/59/343358259.db2.gz FOZDHEUJFQMVMB-UHFFFAOYSA-N -1 3 233.720 2.308 20 0 BEADHM Cc1ccc([O-])c(CN[C@@H]2CCCC[C@H]2F)n1 ZINC000335631013 136300354 /nfs/dbraw/zinc/30/03/54/136300354.db2.gz IXWPPTJZNIGGPD-GHMZBOCLSA-N -1 3 238.306 2.466 20 0 BEADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1csc(=O)[n-]1 ZINC000335667121 136311264 /nfs/dbraw/zinc/31/12/64/136311264.db2.gz PCSUNFJQHIAEHK-OCAPTIKFSA-N -1 3 240.328 2.252 20 0 BEADHM C[C@@H]1CCCCN(C(=O)c2csc(=O)[n-]2)C1 ZINC000335693013 136325755 /nfs/dbraw/zinc/32/57/55/136325755.db2.gz CKZASFNTJMAXHF-MRVPVSSYSA-N -1 3 240.328 2.111 20 0 BEADHM Cc1cccnc1C(=O)Nc1cccc([O-])c1F ZINC000335703564 136334944 /nfs/dbraw/zinc/33/49/44/136334944.db2.gz LODPDIPWTMADAQ-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@@](C)(F)C2)c([O-])c1 ZINC000335714778 136338789 /nfs/dbraw/zinc/33/87/89/136338789.db2.gz GPZWPVYXKRICKQ-CYBMUJFWSA-N -1 3 237.274 2.275 20 0 BEADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1csc(=O)[n-]1 ZINC000335857580 136356062 /nfs/dbraw/zinc/35/60/62/136356062.db2.gz VZTVAVBFFHQOBS-JGVFFNPUSA-N -1 3 240.328 2.109 20 0 BEADHM CC(=O)c1ccc(C(=O)N(C)C(C)(C)C)cc1[O-] ZINC000616490259 343473982 /nfs/dbraw/zinc/47/39/82/343473982.db2.gz PYUAAKIJWPYXQU-UHFFFAOYSA-N -1 3 249.310 2.465 20 0 BEADHM CC1(C)C[C@@]1(C)NC(=O)c1ccc(O)cc1[O-] ZINC000620079130 343639747 /nfs/dbraw/zinc/63/97/47/343639747.db2.gz QTNKLBDPCGGPPV-CYBMUJFWSA-N -1 3 235.283 2.016 20 0 BEADHM O=C(NCCCC1CC1)c1ccc(O)cc1[O-] ZINC000128199004 343764327 /nfs/dbraw/zinc/76/43/27/343764327.db2.gz CNENARRIWLRSFV-UHFFFAOYSA-N -1 3 235.283 2.018 20 0 BEADHM CC(C)c1ccc(C(=O)NC2CC2)c([O-])c1 ZINC000048384797 343927215 /nfs/dbraw/zinc/92/72/15/343927215.db2.gz IHXPFKMQSFUDPS-UHFFFAOYSA-N -1 3 219.284 2.408 20 0 BEADHM C[C@@H]1CN(Cc2ncccc2[O-])CCC1(F)F ZINC000558570938 343973460 /nfs/dbraw/zinc/97/34/60/343973460.db2.gz ZLKJGNDQULKZJG-SECBINFHSA-N -1 3 242.269 2.264 20 0 BEADHM CSc1ccc([O-])c(C(=O)N2CC[C@H]2C)c1 ZINC000641247687 362328195 /nfs/dbraw/zinc/32/81/95/362328195.db2.gz WQDGMCWJITYINF-MRVPVSSYSA-N -1 3 237.324 2.349 20 0 BEADHM CCc1cccc(C(=O)N2CC[C@@H]2C)c1[O-] ZINC000641241025 362299190 /nfs/dbraw/zinc/29/91/90/362299190.db2.gz JEROSJGWPQDKGS-VIFPVBQESA-N -1 3 219.284 2.189 20 0 BEADHM C/C=C/CNC(=O)c1ccc(C)cc1[O-] ZINC000384997532 344289165 /nfs/dbraw/zinc/28/91/65/344289165.db2.gz LMZQNZZHPHQWNA-ONEGZZNKSA-N -1 3 205.257 2.007 20 0 BEADHM C[C@@H]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000227450935 344425002 /nfs/dbraw/zinc/42/50/02/344425002.db2.gz LBFSWDVPMCCKJN-HTQZYQBOSA-N -1 3 223.238 2.491 20 0 BEADHM C[C@H](Nc1ccnc2ccccc21)C(=O)[O-] ZINC000042374113 344451833 /nfs/dbraw/zinc/45/18/33/344451833.db2.gz IWHWFCZMQLMOBM-QMMMGPOBSA-N -1 3 216.240 2.120 20 0 BEADHM CN(CCC1CC1)Cc1ccoc1C(=O)[O-] ZINC000381445617 344507355 /nfs/dbraw/zinc/50/73/55/344507355.db2.gz AXWVNMCYVYPWGP-UHFFFAOYSA-N -1 3 223.272 2.210 20 0 BEADHM Cc1cccc([O-])c1NC(=O)Cc1ccncc1 ZINC000182178836 259376288 /nfs/dbraw/zinc/37/62/88/259376288.db2.gz AVBBUIBVIRGGBR-UHFFFAOYSA-N -1 3 242.278 2.277 20 0 BEADHM CC1(C)CC[C@H](SCCc2nnn[n-]2)C1 ZINC000603341932 349919440 /nfs/dbraw/zinc/91/94/40/349919440.db2.gz UAWHMEBAJSUXBG-QMMMGPOBSA-N -1 3 226.349 2.054 20 0 BEADHM CC1(C)CC[C@H](SCCc2nn[n-]n2)C1 ZINC000603341932 349919441 /nfs/dbraw/zinc/91/94/41/349919441.db2.gz UAWHMEBAJSUXBG-QMMMGPOBSA-N -1 3 226.349 2.054 20 0 BEADHM O=C([O-])[C@H](C1CC1)N1CC[C@H]1c1cccc(F)c1 ZINC000635016321 345221180 /nfs/dbraw/zinc/22/11/80/345221180.db2.gz LXJGWUOJUXWYBY-STQMWFEESA-N -1 3 249.285 2.436 20 0 BEADHM CC[N@H+](Cc1nc(C)ccc1[O-])C1CC1 ZINC000133299641 345369008 /nfs/dbraw/zinc/36/90/08/345369008.db2.gz SHTKLAHAPIGBAM-UHFFFAOYSA-N -1 3 206.289 2.080 20 0 BEADHM CCN(Cc1nc(C)ccc1[O-])C1CC1 ZINC000133299641 345369014 /nfs/dbraw/zinc/36/90/14/345369014.db2.gz SHTKLAHAPIGBAM-UHFFFAOYSA-N -1 3 206.289 2.080 20 0 BEADHM CCc1cccc(C(=O)NCC2CCC2)c1[O-] ZINC000081939174 345504517 /nfs/dbraw/zinc/50/45/17/345504517.db2.gz XJPVYMWHPZAEKH-UHFFFAOYSA-N -1 3 233.311 2.485 20 0 BEADHM Cc1ccc(C(=O)N2CC(C)(F)C2)c([O-])c1C ZINC000684324041 488289835 /nfs/dbraw/zinc/28/98/35/488289835.db2.gz CAAABNLIWWGIMY-UHFFFAOYSA-N -1 3 237.274 2.193 20 0 BEADHM CC1(C)CCN1C(=O)c1ccccc1[O-] ZINC000094167416 345681879 /nfs/dbraw/zinc/68/18/79/345681879.db2.gz DTKQIOVBHKSCRW-UHFFFAOYSA-N -1 3 205.257 2.017 20 0 BEADHM O=C([O-])[C@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC000208789135 345735811 /nfs/dbraw/zinc/73/58/11/345735811.db2.gz JBQMFVMOYTVBOB-VCDPDADVSA-N -1 3 245.322 2.496 20 0 BEADHM CCOCCC(=O)Nc1ccc([O-])cc1Cl ZINC000082879809 345790597 /nfs/dbraw/zinc/79/05/97/345790597.db2.gz HXZXIONCUHHXPY-UHFFFAOYSA-N -1 3 243.690 2.411 20 0 BEADHM O=C(Nc1ccc([O-])cc1Cl)[C@H]1CCCO1 ZINC000082879756 345790735 /nfs/dbraw/zinc/79/07/35/345790735.db2.gz KUTDSSGNWOEHRE-SNVBAGLBSA-N -1 3 241.674 2.163 20 0 BEADHM Cc1cccc(C(=O)N2CCC[C@H]2CF)c1[O-] ZINC000294229647 179009970 /nfs/dbraw/zinc/00/99/70/179009970.db2.gz WSRHWNAVGAOTBK-JTQLQIEISA-N -1 3 237.274 2.275 20 0 BEADHM Cc1cccc(C(=O)N2C[C@@H](C)[C@@H]2C)c1[O-] ZINC000294095928 179012282 /nfs/dbraw/zinc/01/22/82/179012282.db2.gz MLQRLNOAXUFZBU-ZJUUUORDSA-N -1 3 219.284 2.181 20 0 BEADHM Cc1ccc(C(=O)N2OC3CCC2CC3)c([O-])c1 ZINC000636405664 346481124 /nfs/dbraw/zinc/48/11/24/346481124.db2.gz LEFHZMONQRISKU-UHFFFAOYSA-N -1 3 247.294 2.399 20 0 BEADHM CCC[C@@H](CC)NC(=O)c1cccc2nn[n-]c21 ZINC000187591184 346588461 /nfs/dbraw/zinc/58/84/61/346588461.db2.gz SSDLVHXWLPRAET-SECBINFHSA-N -1 3 246.314 2.266 20 0 BEADHM CCC[C@@H](CC)NC(=O)c1cccc2[n-]nnc21 ZINC000187591184 346588463 /nfs/dbraw/zinc/58/84/63/346588463.db2.gz SSDLVHXWLPRAET-SECBINFHSA-N -1 3 246.314 2.266 20 0 BEADHM CCC[C@@H](CC)NC(=O)c1cccc2n[n-]nc21 ZINC000187591184 346588465 /nfs/dbraw/zinc/58/84/65/346588465.db2.gz SSDLVHXWLPRAET-SECBINFHSA-N -1 3 246.314 2.266 20 0 BEADHM CC[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000037915232 346711266 /nfs/dbraw/zinc/71/12/66/346711266.db2.gz OYYWNHDOCUKFDR-NSHDSACASA-N -1 3 219.284 2.407 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCOC[C@@H]1C ZINC000192844527 365842917 /nfs/dbraw/zinc/84/29/17/365842917.db2.gz QRMKKGXGBXDQGN-QWRGUYRKSA-N -1 3 249.310 2.312 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CO[C@@H](C)C1 ZINC000336432954 179160667 /nfs/dbraw/zinc/16/06/67/179160667.db2.gz ZNVXXJCXIKRMED-UWVGGRQHSA-N -1 3 235.283 2.064 20 0 BEADHM CC[C@@H]1COCCN1Cc1cc([O-])cc(F)c1 ZINC000184148898 347151312 /nfs/dbraw/zinc/15/13/12/347151312.db2.gz AROHCHIGRNQARU-GFCCVEGCSA-N -1 3 239.290 2.142 20 0 BEADHM CC(F)(F)CNCc1cc([O-])cc(F)c1 ZINC000382104458 347174140 /nfs/dbraw/zinc/17/41/40/347174140.db2.gz PHFBAGOXRYIMFZ-UHFFFAOYSA-N -1 3 219.206 2.276 20 0 BEADHM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000188554124 347283746 /nfs/dbraw/zinc/28/37/46/347283746.db2.gz IQPOMVPTMCUPBB-JTQLQIEISA-N -1 3 245.344 2.383 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)C2(C)CCCC2)c1C ZINC000577231415 365893955 /nfs/dbraw/zinc/89/39/55/365893955.db2.gz KGXOSFOGFBKKQA-UHFFFAOYSA-N -1 3 235.331 2.221 20 0 BEADHM CC[C@@H](C)CNC(=O)c1cccc([O-])c1 ZINC000054475100 348028673 /nfs/dbraw/zinc/02/86/73/348028673.db2.gz BIMLBKMFUCGYFE-SECBINFHSA-N -1 3 207.273 2.168 20 0 BEADHM Cc1cccnc1CNC(=O)c1ccccc1[O-] ZINC000071345320 179383388 /nfs/dbraw/zinc/38/33/88/179383388.db2.gz HZRKJHYTJFBRCO-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM CC[C@H](C)CN(C)c1ccncc1C(=O)[O-] ZINC000088109721 362903410 /nfs/dbraw/zinc/90/34/10/362903410.db2.gz QXAVCYNPTIYIHM-VIFPVBQESA-N -1 3 222.288 2.262 20 0 BEADHM CCN(CCCC(=O)[O-])CCC(F)(F)F ZINC000308820924 348711011 /nfs/dbraw/zinc/71/10/11/348711011.db2.gz BXQWGYRVCVZCNO-UHFFFAOYSA-N -1 3 227.226 2.126 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@H](C)C1CC1 ZINC000623510989 362936721 /nfs/dbraw/zinc/93/67/21/362936721.db2.gz VFRGIAYUGZVFKR-SECBINFHSA-N -1 3 219.284 2.229 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@H]2C)n1 ZINC000248779044 349148918 /nfs/dbraw/zinc/14/89/18/349148918.db2.gz UUSLOBOBSCHPAM-NXEZZACHSA-N -1 3 221.304 2.036 20 0 BEADHM CSCCCNC(=O)c1c(C)cccc1[O-] ZINC000599534484 349211662 /nfs/dbraw/zinc/21/16/62/349211662.db2.gz ZUQLXPJMAYWEFJ-UHFFFAOYSA-N -1 3 239.340 2.184 20 0 BEADHM C[C@H]1CCN(Cc2ccc(C(=O)[O-])cn2)C[C@H]1C ZINC000253077653 349225982 /nfs/dbraw/zinc/22/59/82/349225982.db2.gz SHCJGORTJVWIHS-WDEREUQCSA-N -1 3 248.326 2.258 20 0 BEADHM CO[N-]C(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000042004553 323215929 /nfs/dbraw/zinc/21/59/29/323215929.db2.gz LNFHPEWARYHHAM-WUQHTFKHSA-N -1 3 221.256 2.094 20 0 BEADHM Cc1nc2c(s1)[C@@H]([N-]C(=O)C(F)F)CCC2 ZINC000370606522 180073435 /nfs/dbraw/zinc/07/34/35/180073435.db2.gz MLIUYOIEFOSMNW-ZETCQYMHSA-N -1 3 246.282 2.210 20 0 BEADHM CC[C@@H]1CC[C@H](C)N1Cc1oncc1C(=O)[O-] ZINC000304629450 350158928 /nfs/dbraw/zinc/15/89/28/350158928.db2.gz QKQYEJPJHZJUGM-DTWKUNHWSA-N -1 3 238.287 2.136 20 0 BEADHM Cc1ncc(NC(=O)c2ccc([O-])c(C)c2)cn1 ZINC000354464416 180170327 /nfs/dbraw/zinc/17/03/27/180170327.db2.gz LJEHACKDJMTOSC-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM COCC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC000617193580 350306314 /nfs/dbraw/zinc/30/63/14/350306314.db2.gz SLLPNKHXFYLQHP-UHFFFAOYSA-N -1 3 249.310 2.081 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])C12CC(C1)C2 ZINC000626277861 350778554 /nfs/dbraw/zinc/77/85/54/350778554.db2.gz UDDPWIDAULQQIM-UHFFFAOYSA-N -1 3 221.231 2.270 20 0 BEADHM CC(C)CN=c1[n-]c(C(=O)OC(C)C)cs1 ZINC000336679956 350898828 /nfs/dbraw/zinc/89/88/28/350898828.db2.gz RAQJPYSBNIWBCR-UHFFFAOYSA-N -1 3 242.344 2.198 20 0 BEADHM C[C@H]1OCC[C@H]1SCc1ncccc1[O-] ZINC000577817490 366069386 /nfs/dbraw/zinc/06/93/86/366069386.db2.gz JYJMTDRPHLGYSG-LDYMZIIASA-N -1 3 225.313 2.198 20 0 BEADHM CCCC[C@H](C)N(C)c1nc2nncc-2c(O)[n-]1 ZINC000290933466 352250468 /nfs/dbraw/zinc/25/04/68/352250468.db2.gz ZESOMRSLDOPCAE-QMMMGPOBSA-N -1 3 249.318 2.073 20 0 BEADHM CN(CC1CC1)[C@H](C(=O)[O-])c1ccccc1F ZINC000077373850 352309654 /nfs/dbraw/zinc/30/96/54/352309654.db2.gz DZBCOQWNBVOQCJ-LBPRGKRZSA-N -1 3 237.274 2.293 20 0 BEADHM CCN(Cc1cccc([O-])c1Cl)[C@@H](C)CO ZINC000293604422 352355766 /nfs/dbraw/zinc/35/57/66/352355766.db2.gz JMQYFQGPSZUNJN-VIFPVBQESA-N -1 3 243.734 2.248 20 0 BEADHM CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)C(C)C ZINC000411523198 191193118 /nfs/dbraw/zinc/19/31/18/191193118.db2.gz HJBCROBDVQASCJ-UHFFFAOYSA-N -1 3 249.310 2.465 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CC[C@H]2C(C)C)c1 ZINC000334219073 352821298 /nfs/dbraw/zinc/82/12/98/352821298.db2.gz FKVYTZJIYLKRPE-LBPRGKRZSA-N -1 3 249.310 2.271 20 0 BEADHM CCc1ocnc1C(=O)Nc1ccccc1[O-] ZINC000334229968 352847539 /nfs/dbraw/zinc/84/75/39/352847539.db2.gz JEAKICRXQWRBEB-UHFFFAOYSA-N -1 3 232.239 2.195 20 0 BEADHM C[C@@H](NC(=O)c1c([O-])cccc1O)C1CCC1 ZINC000092126247 538106155 /nfs/dbraw/zinc/10/61/55/538106155.db2.gz KEOJUXZTTPPKII-MRVPVSSYSA-N -1 3 235.283 2.016 20 0 BEADHM C[C@@H](CC(=O)Nc1ncccc1[O-])C(F)(F)F ZINC000626423905 353112776 /nfs/dbraw/zinc/11/27/76/353112776.db2.gz WDMLANKAGPMNBH-LURJTMIESA-N -1 3 248.204 2.314 20 0 BEADHM Cc1ccc(/C=C/C(=O)[N-]OC(C)C)o1 ZINC000293888383 188096854 /nfs/dbraw/zinc/09/68/54/188096854.db2.gz GDIWDMYRZYCSIU-VOTSOKGWSA-N -1 3 209.245 2.057 20 0 BEADHM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358422691 188151954 /nfs/dbraw/zinc/15/19/54/188151954.db2.gz GBPNJSZNXWGKBH-JTQLQIEISA-N -1 3 245.344 2.445 20 0 BEADHM CC(C)(C)c1ccc([N-]S(C)(=O)=O)c(O)c1 ZINC000095709869 188146568 /nfs/dbraw/zinc/14/65/68/188146568.db2.gz BFGOHDIAQUKNLQ-UHFFFAOYSA-N -1 3 243.328 2.061 20 0 BEADHM CC(C)=CCNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412285031 191272585 /nfs/dbraw/zinc/27/25/85/191272585.db2.gz FHKXEVKTBJFFFJ-UHFFFAOYSA-N -1 3 247.294 2.291 20 0 BEADHM CCc1cc(C(=O)N(C)CC)ccc1[O-] ZINC000291503770 188211343 /nfs/dbraw/zinc/21/13/43/188211343.db2.gz PKASVAWBBKGNEI-UHFFFAOYSA-N -1 3 207.273 2.047 20 0 BEADHM CC/C=C/CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412382171 191281123 /nfs/dbraw/zinc/28/11/23/191281123.db2.gz LTAJEBWAXUHRFD-SNAWJCMRSA-N -1 3 247.294 2.291 20 0 BEADHM O=C([O-])[C@@H]1CC12CCN([C@@H]1C=CCCC1)CC2 ZINC000405314579 353497175 /nfs/dbraw/zinc/49/71/75/353497175.db2.gz HZKLSVVHYIXGBB-NEPJUHHUSA-N -1 3 235.327 2.282 20 0 BEADHM CCO[C@H]1C[C@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000192808683 353570066 /nfs/dbraw/zinc/57/00/66/353570066.db2.gz HNJFWISRSLCBLS-SKDRFNHKSA-N -1 3 235.283 2.064 20 0 BEADHM [O-]c1ccc(Cc2nc(C3CC3)no2)cc1F ZINC000334531757 353910801 /nfs/dbraw/zinc/91/08/01/353910801.db2.gz COBZPSVVFUTGNE-UHFFFAOYSA-N -1 3 234.230 2.383 20 0 BEADHM CC(=O)c1ccc(C(=O)N2[C@H](C)C[C@@H]2C)cc1[O-] ZINC000334640098 354395830 /nfs/dbraw/zinc/39/58/30/354395830.db2.gz VXTVSDKOIRWQSY-DTORHVGOSA-N -1 3 247.294 2.218 20 0 BEADHM CC[C@H]1CC[C@H](C)N1C(=O)c1csc(=O)[n-]1 ZINC000334630124 354372357 /nfs/dbraw/zinc/37/23/57/354372357.db2.gz VPQPAUSOJQYRHY-YUMQZZPRSA-N -1 3 240.328 2.252 20 0 BEADHM O=C(C[C@@H]1CCCO1)Nc1cccc([O-])c1F ZINC000179147973 366211372 /nfs/dbraw/zinc/21/13/72/366211372.db2.gz WXVINLYPROHPQK-QMMMGPOBSA-N -1 3 239.246 2.039 20 0 BEADHM O=C(c1cccc([O-])c1)N1CC[C@@H]1C1CC1 ZINC000334768170 354589875 /nfs/dbraw/zinc/58/98/75/354589875.db2.gz FCJDDKHBLQLQRM-GFCCVEGCSA-N -1 3 217.268 2.017 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CCCC[C@H]2C)c1C ZINC000335096436 354636227 /nfs/dbraw/zinc/63/62/27/354636227.db2.gz OZIHYZFMOHCTGI-MWLCHTKSSA-N -1 3 249.358 2.467 20 0 BEADHM CCc1ccc(C(=O)N2CC(CC)C2)c([O-])c1 ZINC000335106460 354690720 /nfs/dbraw/zinc/69/07/20/354690720.db2.gz DDMFXKOTXBSVJS-UHFFFAOYSA-N -1 3 233.311 2.437 20 0 BEADHM C[C@@]1(C(=O)Nc2cc(F)ccc2[O-])C[C@@H]1F ZINC000335106717 354691521 /nfs/dbraw/zinc/69/15/21/354691521.db2.gz HBPLIDSNFHHIDG-GXSJLCMTSA-N -1 3 227.210 2.218 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](C)C2)o1 ZINC000335223416 355064346 /nfs/dbraw/zinc/06/43/46/355064346.db2.gz AVAUPSPVJRWHTA-WPRPVWTQSA-N -1 3 243.328 2.055 20 0 BEADHM CCCC[C@H](C)N(C)C(=O)c1csc(=O)[n-]1 ZINC000428143697 358495156 /nfs/dbraw/zinc/49/51/56/358495156.db2.gz FCSKIHIUYNALEL-QMMMGPOBSA-N -1 3 242.344 2.499 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCc2ccccn2)c1 ZINC000019840089 355229810 /nfs/dbraw/zinc/22/98/10/355229810.db2.gz MGCXCOQJEOGOCT-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM CCc1[nH]nc(NCc2cc([O-])cc(F)c2)c1C ZINC000349595409 355396470 /nfs/dbraw/zinc/39/64/70/355396470.db2.gz CVRRCFYCQIEMDQ-UHFFFAOYSA-N -1 3 249.289 2.159 20 0 BEADHM COC(=O)c1cnc(SCC[C@@H](C)F)[n-]1 ZINC000349820730 355470009 /nfs/dbraw/zinc/47/00/09/355470009.db2.gz YKDJLCVVENCGGP-ZCFIWIBFSA-N -1 3 232.280 2.037 20 0 BEADHM O=C(c1csc(=O)[n-]1)N1CCCC12CCC2 ZINC000335855535 355599687 /nfs/dbraw/zinc/59/96/87/355599687.db2.gz IHFWOSRBZHSPPS-UHFFFAOYSA-N -1 3 238.312 2.007 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C[C@@H]2C[C@H]2C)n1 ZINC000336016453 134053398 /nfs/dbraw/zinc/05/33/98/134053398.db2.gz ZTYGZZNRSNZZGD-APPZFPTMSA-N -1 3 220.272 2.080 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C)C2)c1 ZINC000040725132 358499023 /nfs/dbraw/zinc/49/90/23/358499023.db2.gz WOTDDOHRKWCFGI-JTQLQIEISA-N -1 3 219.284 2.183 20 0 BEADHM O=C([O-])C1(NCc2ccc(Cl)o2)CCC1 ZINC000417569552 191903372 /nfs/dbraw/zinc/90/33/72/191903372.db2.gz QJZGPSKQNSQIMT-UHFFFAOYSA-N -1 3 229.663 2.030 20 0 BEADHM Cc1ccc(C(=O)N[C@H]2CC[C@@H](F)C2)c([O-])c1 ZINC000335917349 356160949 /nfs/dbraw/zinc/16/09/49/356160949.db2.gz AOFARJFZSVSEBQ-ZJUUUORDSA-N -1 3 237.274 2.321 20 0 BEADHM Cc1cc(C(=O)NC2(C(F)F)CC2)ccc1[O-] ZINC000336135091 356270689 /nfs/dbraw/zinc/27/06/89/356270689.db2.gz ARNQOWWBQHXNKN-UHFFFAOYSA-N -1 3 241.237 2.228 20 0 BEADHM COc1cccc(C(=O)N2CC[C@H]2C(C)C)c1[O-] ZINC000336144051 134101435 /nfs/dbraw/zinc/10/14/35/134101435.db2.gz GRQLNPORPNTAJU-NSHDSACASA-N -1 3 249.310 2.271 20 0 BEADHM CC(C)n1cc(C(=O)Nc2ccccc2[O-])cn1 ZINC000190202258 356435056 /nfs/dbraw/zinc/43/50/56/356435056.db2.gz SSLLMDUNQDYRAC-UHFFFAOYSA-N -1 3 245.282 2.422 20 0 BEADHM Cn1cccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000179645932 366279369 /nfs/dbraw/zinc/27/93/69/366279369.db2.gz VDZZDBRYHIEHPM-UHFFFAOYSA-N -1 3 234.230 2.122 20 0 BEADHM C[C@@]1(c2nc(-c3ccc([O-])cc3)no2)CCOC1 ZINC000350580703 366302753 /nfs/dbraw/zinc/30/27/53/366302753.db2.gz ZYQDLZIOWGDJBR-CYBMUJFWSA-N -1 3 246.266 2.120 20 0 BEADHM COCC1(c2nc(-c3ccc([O-])cc3)no2)CC1 ZINC000350565117 366297642 /nfs/dbraw/zinc/29/76/42/366297642.db2.gz HAVFBBRHIHNTJM-UHFFFAOYSA-N -1 3 246.266 2.120 20 0 BEADHM CCC1CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000336210631 134134428 /nfs/dbraw/zinc/13/44/28/134134428.db2.gz AZTIZAUMRVDWCL-UHFFFAOYSA-N -1 3 240.328 2.111 20 0 BEADHM O=C([O-])[C@H]1CCCN1Cc1cc(F)ccc1F ZINC000033587541 356700568 /nfs/dbraw/zinc/70/05/68/356700568.db2.gz ZJFMOGCMMXPGIZ-LLVKDONJSA-N -1 3 241.237 2.014 20 0 BEADHM CCC[C@@H](O)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000350582153 538678328 /nfs/dbraw/zinc/67/83/28/538678328.db2.gz MJTQAMAUYXWEIT-LLVKDONJSA-N -1 3 248.282 2.146 20 0 BEADHM Cc1cccc([O-])c1C(=O)NCCC(C)C ZINC000623369037 356871947 /nfs/dbraw/zinc/87/19/47/356871947.db2.gz KZBPPDYJXKSGIQ-UHFFFAOYSA-N -1 3 221.300 2.477 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)C(F)(F)F)c1 ZINC000389531487 356967765 /nfs/dbraw/zinc/96/77/65/356967765.db2.gz UFEINUNCGOYVOQ-ZETCQYMHSA-N -1 3 247.216 2.381 20 0 BEADHM C[C@H](N(C)Cc1ccc(C(=O)[O-])cn1)C1(C)CC1 ZINC000385264770 357043654 /nfs/dbraw/zinc/04/36/54/357043654.db2.gz YQVLCILMJQCNKS-JTQLQIEISA-N -1 3 248.326 2.400 20 0 BEADHM Cc1cccc(CN(C)Cc2ncccc2[O-])n1 ZINC000582692682 357368972 /nfs/dbraw/zinc/36/89/72/357368972.db2.gz ILKZEMRKIRKWNF-UHFFFAOYSA-N -1 3 243.310 2.123 20 0 BEADHM O=C(NCCC(F)(F)F)c1cccc([O-])c1 ZINC000063101307 357526640 /nfs/dbraw/zinc/52/66/40/357526640.db2.gz NRJGQYRRCMMENV-UHFFFAOYSA-N -1 3 233.189 2.074 20 0 BEADHM O=C(CCc1nccs1)Nc1ccccc1[O-] ZINC000055158271 363587092 /nfs/dbraw/zinc/58/70/92/363587092.db2.gz VGFUNRGSNMJBDA-UHFFFAOYSA-N -1 3 248.307 2.420 20 0 BEADHM CC[C@@H](C)CN(C)Cc1ccoc1C(=O)[O-] ZINC000037173646 358059869 /nfs/dbraw/zinc/05/98/69/358059869.db2.gz RAGIRZPVMABELN-SECBINFHSA-N -1 3 225.288 2.456 20 0 BEADHM CC(C)C[C@@H](C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351371600 358188879 /nfs/dbraw/zinc/18/88/79/358188879.db2.gz NVJYRCIZQINBBF-MRVPVSSYSA-N -1 3 248.286 2.382 20 0 BEADHM [O-]c1ccc(Cc2nc(CC3CC3)no2)cc1F ZINC000351056382 366402185 /nfs/dbraw/zinc/40/21/85/366402185.db2.gz LONBZJAAUWTREW-UHFFFAOYSA-N -1 3 248.257 2.458 20 0 BEADHM Cc1csc(CNC(=O)c2cccc([O-])c2)n1 ZINC000042229155 358343636 /nfs/dbraw/zinc/34/36/36/358343636.db2.gz RDVZIIACQZZGKN-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM C[C@@H](CC(=O)[O-])N(C)Cc1ccccc1F ZINC000042436817 358349090 /nfs/dbraw/zinc/34/90/90/358349090.db2.gz DMCOMAXKUWKNRK-VIFPVBQESA-N -1 3 225.263 2.121 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCc2ccoc2)c1 ZINC000045835682 358566132 /nfs/dbraw/zinc/56/61/32/358566132.db2.gz FGFRPGNSMWMLNN-UHFFFAOYSA-N -1 3 231.251 2.224 20 0 BEADHM O=C([N-]c1cccc(F)c1F)c1csnn1 ZINC000049388063 358685778 /nfs/dbraw/zinc/68/57/78/358685778.db2.gz ZLZZDVZCUWNWQH-UHFFFAOYSA-N -1 3 241.222 2.069 20 0 BEADHM O=C([O-])CC[C@H]1CCCCN1Cc1ccccn1 ZINC000050924740 358739199 /nfs/dbraw/zinc/73/91/99/358739199.db2.gz XRJDIHJVILHWHY-CYBMUJFWSA-N -1 3 248.326 2.301 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@H]2CC[C@@H](C)C2)c1 ZINC000132930526 358740116 /nfs/dbraw/zinc/74/01/16/358740116.db2.gz NHBLYGHMIMULRV-ZJUUUORDSA-N -1 3 249.310 2.319 20 0 BEADHM Cc1ccc(NC(=O)Cc2cccnc2)c([O-])c1 ZINC000054290689 358858422 /nfs/dbraw/zinc/85/84/22/358858422.db2.gz KRWQBKRWNYPRGM-UHFFFAOYSA-N -1 3 242.278 2.277 20 0 BEADHM CC[C@]1(C)C[C@H]1C(=O)Nc1ccncc1[O-] ZINC000136791204 358886323 /nfs/dbraw/zinc/88/63/23/358886323.db2.gz KJLNRUJCHPGYQT-QPUJVOFHSA-N -1 3 220.272 2.162 20 0 BEADHM CN(CC1CCC1)C(=O)c1cccc([O-])c1 ZINC000061482040 358933921 /nfs/dbraw/zinc/93/39/21/358933921.db2.gz OLPJXQORJPHJSR-UHFFFAOYSA-N -1 3 219.284 2.264 20 0 BEADHM COc1ccc(NC(=O)C23CC(C2)C3)c([O-])c1 ZINC000626608449 358983756 /nfs/dbraw/zinc/98/37/56/358983756.db2.gz YRXQWLNJWRTHBQ-UHFFFAOYSA-N -1 3 233.267 2.139 20 0 BEADHM C[C@H]1CCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000070835343 359064227 /nfs/dbraw/zinc/06/42/27/359064227.db2.gz QNYNNIGWYBKMIJ-CABZTGNLSA-N -1 3 219.284 2.311 20 0 BEADHM CCn1ccc(C(=O)Nc2ccc([O-])cc2F)n1 ZINC000622494736 359509635 /nfs/dbraw/zinc/50/96/35/359509635.db2.gz HBEVZODWDDQIJU-UHFFFAOYSA-N -1 3 249.245 2.000 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1[C@H](C)C[C@@H]1C ZINC000626726597 359584606 /nfs/dbraw/zinc/58/46/06/359584606.db2.gz VEGHJQBMNOVITM-AOOOYVTPSA-N -1 3 219.284 2.324 20 0 BEADHM CC1(C(=O)Nc2ccc([O-])cc2F)CC1 ZINC000180853016 366554750 /nfs/dbraw/zinc/55/47/50/366554750.db2.gz MVRUTBOMHDGGBR-UHFFFAOYSA-N -1 3 209.220 2.270 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2C[C@@H]3C[C@@H]3C2)c1 ZINC000628514067 359885754 /nfs/dbraw/zinc/88/57/54/359885754.db2.gz KXGPKRVOFNANFA-PHIMTYICSA-N -1 3 231.295 2.047 20 0 BEADHM Cc1noc(C)c1[N-]C(=O)c1csnc1C ZINC000040757366 360248961 /nfs/dbraw/zinc/24/89/61/360248961.db2.gz KAKVXBSCTQTNDQ-UHFFFAOYSA-N -1 3 237.284 2.309 20 0 BEADHM O=C(N[C@@H]1CCCC12CC2)c1ccc(O)cc1[O-] ZINC000633776514 360473610 /nfs/dbraw/zinc/47/36/10/360473610.db2.gz HOXAQFSARFKXIH-GFCCVEGCSA-N -1 3 247.294 2.160 20 0 BEADHM Cc1ccc([O-])c(C(=O)N(C2CC2)C2CC2)c1 ZINC000628819938 360675076 /nfs/dbraw/zinc/67/50/76/360675076.db2.gz UHVIETVTNYFTAN-UHFFFAOYSA-N -1 3 231.295 2.468 20 0 BEADHM C/C=C/CNC(=O)c1cccc(CC)c1[O-] ZINC000629036614 360803712 /nfs/dbraw/zinc/80/37/12/360803712.db2.gz WNOWWHUUUIBXQU-HWKANZROSA-N -1 3 219.284 2.261 20 0 BEADHM C/C=C\CNC(=O)c1ccc([O-])c(CC)c1 ZINC000629032705 360813673 /nfs/dbraw/zinc/81/36/73/360813673.db2.gz OJLGMXQYPAWQIP-HYXAFXHYSA-N -1 3 219.284 2.261 20 0 BEADHM C/C=C/CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000629034258 360820477 /nfs/dbraw/zinc/82/04/77/360820477.db2.gz IFFSWWBTPFVGPT-SNAWJCMRSA-N -1 3 219.284 2.315 20 0 BEADHM CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000155525106 360886493 /nfs/dbraw/zinc/88/64/93/360886493.db2.gz QRPMLWODKYONIK-SKDRFNHKSA-N -1 3 249.310 2.406 20 0 BEADHM CC[C@H](NC(=O)c1cccc([O-])c1)C(F)F ZINC000452660918 200781713 /nfs/dbraw/zinc/78/17/13/200781713.db2.gz IMSSYRSMQRVJJX-VIFPVBQESA-N -1 3 229.226 2.166 20 0 BEADHM CCC[C@H](C(=O)[O-])N1Cc2cccc(OC)c2C1 ZINC000629372794 361022312 /nfs/dbraw/zinc/02/23/12/361022312.db2.gz HTBQIHAPKHCPRX-GFCCVEGCSA-N -1 3 249.310 2.264 20 0 BEADHM Cc1ccc(F)c(CN[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000578995347 366687089 /nfs/dbraw/zinc/68/70/89/366687089.db2.gz JBUFBWVMBUCXEP-ZJUUUORDSA-N -1 3 239.290 2.333 20 0 BEADHM C[C@@H]1CC[C@@H](C(=O)Nc2cccc3n[n-]nc32)C1 ZINC000640380131 361189250 /nfs/dbraw/zinc/18/92/50/361189250.db2.gz NRWILKGJNTYBPV-RKDXNWHRSA-N -1 3 244.298 2.333 20 0 BEADHM CCC[C@H](C)C(=O)Nc1cccc2n[n-]nc21 ZINC000640380959 361191640 /nfs/dbraw/zinc/19/16/40/361191640.db2.gz ZYGPNQFHNAEVJL-QMMMGPOBSA-N -1 3 232.287 2.333 20 0 BEADHM CCc1ncc(C(=O)[N-]c2conc2C)s1 ZINC000640490089 361287347 /nfs/dbraw/zinc/28/73/47/361287347.db2.gz RHWCKPOLGFTSGS-UHFFFAOYSA-N -1 3 237.284 2.254 20 0 BEADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000082879313 491157281 /nfs/dbraw/zinc/15/72/81/491157281.db2.gz KGEKQXBDDUKNLV-HTRCEHHLSA-N -1 3 209.220 2.126 20 0 BEADHM c1coc(-c2nnc([N-]Cc3cscn3)o2)c1 ZINC000181482925 366814524 /nfs/dbraw/zinc/81/45/24/366814524.db2.gz HLQCKIQKAYXQJP-UHFFFAOYSA-N -1 3 248.267 2.398 20 0 BEADHM CO[N-]C(=O)c1c(Cl)cccc1Cl ZINC000070268025 361501049 /nfs/dbraw/zinc/50/10/49/361501049.db2.gz XWGMBLWOWQPGLE-UHFFFAOYSA-N -1 3 220.055 2.285 20 0 BEADHM Cc1ccc(C(=O)NCC[C@@H](C)F)c([O-])c1 ZINC000436544289 201331735 /nfs/dbraw/zinc/33/17/35/201331735.db2.gz KVVHKAKFGFMQDZ-SECBINFHSA-N -1 3 225.263 2.179 20 0 BEADHM O=C(NCCC1(F)CCC1)c1ccccc1[O-] ZINC000436720010 201336909 /nfs/dbraw/zinc/33/69/09/201336909.db2.gz BSQJPSAFVWBKIJ-UHFFFAOYSA-N -1 3 237.274 2.404 20 0 BEADHM Cc1cccc(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC000436820103 201338056 /nfs/dbraw/zinc/33/80/56/201338056.db2.gz GBPNOOZLTGWPOX-PEGIJTEDSA-N -1 3 231.295 2.229 20 0 BEADHM CCc1ccc(C(=O)NC[C@H]2C[C@H]2C)c([O-])c1 ZINC000436816281 201339139 /nfs/dbraw/zinc/33/91/39/201339139.db2.gz DAYGFLUHDKOHSN-MWLCHTKSSA-N -1 3 233.311 2.340 20 0 BEADHM CCN(CC)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436852486 201339491 /nfs/dbraw/zinc/33/94/91/201339491.db2.gz OTSUJMYCJNKKHK-UHFFFAOYSA-N -1 3 235.283 2.077 20 0 BEADHM C[C@H](CNC(=O)c1ccccc1[O-])C(F)(F)F ZINC000436976602 201340469 /nfs/dbraw/zinc/34/04/69/201340469.db2.gz PLHUKMHDNDQSSR-SSDOTTSWSA-N -1 3 247.216 2.320 20 0 BEADHM Cc1cc(C(=O)N[C@H](C)c2ccon2)ccc1[O-] ZINC000436932240 201340785 /nfs/dbraw/zinc/34/07/85/201340785.db2.gz BOTMUYJSCIETIH-SECBINFHSA-N -1 3 246.266 2.180 20 0 BEADHM Cc1cc(C(=O)Nc2ccccc2[O-])nc(C)n1 ZINC000436958529 201340930 /nfs/dbraw/zinc/34/09/30/201340930.db2.gz IEQIULDTBREOHE-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM Cc1ccc(C(=O)Nc2cnns2)c([O-])c1C ZINC000436998664 201340987 /nfs/dbraw/zinc/34/09/87/201340987.db2.gz PNUAGEORHJNYMV-UHFFFAOYSA-N -1 3 249.295 2.113 20 0 BEADHM Cc1ccc(CNC(C)(C)C(=O)[O-])c(F)c1 ZINC000630454687 364172142 /nfs/dbraw/zinc/17/21/42/364172142.db2.gz UXCLALIWXKIDDE-UHFFFAOYSA-N -1 3 225.263 2.087 20 0 BEADHM O=C(CC1CSC1)Nc1ccccc1[O-] ZINC000630797687 364564761 /nfs/dbraw/zinc/56/47/61/364564761.db2.gz XJKRQLNTRAQBKJ-UHFFFAOYSA-N -1 3 223.297 2.084 20 0 BEADHM C[C@@H]1C[C@H](C(=O)Nc2ccccc2[O-])[C@H](C)O1 ZINC000630796215 364561322 /nfs/dbraw/zinc/56/13/22/364561322.db2.gz LJNVEVAJJAIXCS-UTLUCORTSA-N -1 3 235.283 2.144 20 0 BEADHM CCc1cc(=O)[n-]c(CN[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000573542136 364855887 /nfs/dbraw/zinc/85/58/87/364855887.db2.gz WDPYJVYABOLPQU-ADEWGFFLSA-N -1 3 247.342 2.023 20 0 BEADHM C[C@H]1CC(C)(C)CN1Cc1ccc(C(=O)[O-])cn1 ZINC000573855440 364932754 /nfs/dbraw/zinc/93/27/54/364932754.db2.gz HGEMVFMAFXDFDX-JTQLQIEISA-N -1 3 248.326 2.400 20 0 BEADHM Cc1ccc([O-])c(CNC2(CF)CCC2)n1 ZINC000574038918 364972563 /nfs/dbraw/zinc/97/25/63/364972563.db2.gz AROLTLNBGBQGRR-UHFFFAOYSA-N -1 3 224.279 2.077 20 0 BEADHM C[C@@H](C(=O)N=c1cc2ccccn2[n-]1)C1CCC1 ZINC000574161751 364999679 /nfs/dbraw/zinc/99/96/79/364999679.db2.gz GMLZWLJSLNZZCL-SNVBAGLBSA-N -1 3 243.310 2.131 20 0 BEADHM CCC[C@@H]1C[C@H]1C(=O)N=c1cc2ccccn2[n-]1 ZINC000574495855 365074312 /nfs/dbraw/zinc/07/43/12/365074312.db2.gz WSBFOPXEKJQHDT-ZYHUDNBSSA-N -1 3 243.310 2.131 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)C2(CC(C)C)CC2)c1C ZINC000443066764 193012483 /nfs/dbraw/zinc/01/24/83/193012483.db2.gz DFRLTDRCWXLFJQ-UHFFFAOYSA-N -1 3 249.358 2.467 20 0 BEADHM C[C@@H](c1ccncc1)N(C)Cc1ncccc1[O-] ZINC000575217928 365248820 /nfs/dbraw/zinc/24/88/20/365248820.db2.gz IVMCHSYQKOWVSS-NSHDSACASA-N -1 3 243.310 2.375 20 0 BEADHM Cc1nc(C)c(CN(C)[C@@H](C)CC(=O)[O-])s1 ZINC000576054227 365467321 /nfs/dbraw/zinc/46/73/21/365467321.db2.gz UWFTTZZSTCZGIC-ZETCQYMHSA-N -1 3 242.344 2.055 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])c1ccccn1 ZINC000174875734 365519144 /nfs/dbraw/zinc/51/91/44/365519144.db2.gz WLJRGHBSCNUECT-UHFFFAOYSA-N -1 3 232.214 2.179 20 0 BEADHM CCC(C)=Cc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000576158804 365502936 /nfs/dbraw/zinc/50/29/36/365502936.db2.gz BXDNKQSWTQOKEK-DAXSKMNVSA-N -1 3 232.243 2.046 20 0 BEADHM O=C(N[C@@H]1C=CCCC1)c1cccc([O-])c1 ZINC000182597838 366921129 /nfs/dbraw/zinc/92/11/29/366921129.db2.gz WPAUSPCANOKQTJ-LLVKDONJSA-N -1 3 217.268 2.231 20 0 BEADHM O=C(c1cc[nH]c1)N1CCCc2cccc([O-])c21 ZINC000182913131 366955838 /nfs/dbraw/zinc/95/58/38/366955838.db2.gz UASULEJDBWIYAF-UHFFFAOYSA-N -1 3 242.278 2.313 20 0 BEADHM C[C@@H]1[C@@H](C)CCN1c1ccncc1C(=O)[O-] ZINC000380562506 367244401 /nfs/dbraw/zinc/24/44/01/367244401.db2.gz VZRTXAGFMKYZDV-DTWKUNHWSA-N -1 3 220.272 2.015 20 0 BEADHM O=C(/C=C\c1cccnc1)[N-]OC1CCCC1 ZINC000382693645 367552940 /nfs/dbraw/zinc/55/29/40/367552940.db2.gz UGIOTPMZQITKSL-FPLPWBNLSA-N -1 3 232.283 2.085 20 0 BEADHM Cc1ccc(C(=O)Nc2cnc(C)nc2)c([O-])c1 ZINC000384176880 367674724 /nfs/dbraw/zinc/67/47/24/367674724.db2.gz OMEIYBGLZLRPBC-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM Cc1ccc(CNC[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000566301223 326030577 /nfs/dbraw/zinc/03/05/77/326030577.db2.gz UANAPZBYYLNPNZ-SECBINFHSA-N -1 3 241.718 2.459 20 0 BEADHM CC(=O)c1cccc(NC(=O)C23CC(C2)C3)c1[O-] ZINC000627277483 368141658 /nfs/dbraw/zinc/14/16/58/368141658.db2.gz LOUKCHMFWVRKMA-UHFFFAOYSA-N -1 3 245.278 2.333 20 0 BEADHM Cc1ncsc1C(=O)[N-]c1c(C)noc1C ZINC000063489340 368586764 /nfs/dbraw/zinc/58/67/64/368586764.db2.gz ZMPXGUPZCVHAKZ-UHFFFAOYSA-N -1 3 237.284 2.309 20 0 BEADHM CCC[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000069638811 368756362 /nfs/dbraw/zinc/75/63/62/368756362.db2.gz DQSKOHSKZYFMPL-MRVPVSSYSA-N -1 3 208.261 2.162 20 0 BEADHM O=C([O-])c1cnccc1N1CCCCCC1 ZINC000088109646 368904379 /nfs/dbraw/zinc/90/43/79/368904379.db2.gz LXNPCKQCILMSMV-UHFFFAOYSA-N -1 3 220.272 2.160 20 0 BEADHM CC[C@@H](CC(F)F)C(=O)Nc1ncccc1[O-] ZINC000457722271 203094830 /nfs/dbraw/zinc/09/48/30/203094830.db2.gz XGOYNUJXWFYUEA-ZETCQYMHSA-N -1 3 244.241 2.407 20 0 BEADHM CC(C)OC(=O)Cc1ccc([O-])c(F)c1 ZINC000458173198 203142722 /nfs/dbraw/zinc/14/27/22/203142722.db2.gz RBRFGISCBFKRNW-UHFFFAOYSA-N -1 3 212.220 2.025 20 0 BEADHM COc1cccc(C(=O)N[C@@H]2C[C@H]2C(C)C)c1[O-] ZINC000458138237 203138069 /nfs/dbraw/zinc/13/80/69/203138069.db2.gz KGJGBVWVHHNLNB-WDEREUQCSA-N -1 3 249.310 2.175 20 0 BEADHM Cc1cccc(C(=O)N[C@@H]2C[C@H]2C(C)C)c1[O-] ZINC000458147099 203141017 /nfs/dbraw/zinc/14/10/17/203141017.db2.gz VITJOLTYGYVXKN-NWDGAFQWSA-N -1 3 233.311 2.475 20 0 BEADHM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc([O-])c1 ZINC000458284992 203153581 /nfs/dbraw/zinc/15/35/81/203153581.db2.gz RVEDFGTZVUQGCH-JIMOISOXSA-N -1 3 231.295 2.311 20 0 BEADHM Cc1cc(C(=O)N2CC3CC2(C)C3)ccc1[O-] ZINC000621215365 370159310 /nfs/dbraw/zinc/15/93/10/370159310.db2.gz AXZSMRJXEKRKCS-UHFFFAOYSA-N -1 3 231.295 2.325 20 0 BEADHM O=C([O-])c1cnccc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000311083869 370384269 /nfs/dbraw/zinc/38/42/69/370384269.db2.gz PCZKIHMNEXKVHF-PHIMTYICSA-N -1 3 246.310 2.406 20 0 BEADHM C=C(CC)CNc1ccncc1C(=O)[O-] ZINC000313498171 370591556 /nfs/dbraw/zinc/59/15/56/370591556.db2.gz MHYICLDREONHPB-UHFFFAOYSA-N -1 3 206.245 2.158 20 0 BEADHM CC/C=C/CNC(=O)c1c(C)cccc1[O-] ZINC000627603358 371771841 /nfs/dbraw/zinc/77/18/41/371771841.db2.gz STBFZTJCHNVYKB-SNAWJCMRSA-N -1 3 219.284 2.397 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000627839097 372060004 /nfs/dbraw/zinc/06/00/04/372060004.db2.gz CXWIKCPTDUEMFY-JGPRNRPPSA-N -1 3 231.295 2.229 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])C1CSC1 ZINC000632027795 372729432 /nfs/dbraw/zinc/72/94/32/372729432.db2.gz NSOIXQXOQYCRNT-UHFFFAOYSA-N -1 3 243.715 2.347 20 0 BEADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1ncccc1[O-] ZINC000333293529 182021994 /nfs/dbraw/zinc/02/19/94/182021994.db2.gz KWWWIQCKRQCMRM-LPEHRKFASA-N -1 3 232.283 2.162 20 0 BEADHM C[C@H](CC1CCC1)[N-]S(=O)(=O)c1ccco1 ZINC000632693532 373074207 /nfs/dbraw/zinc/07/42/07/373074207.db2.gz HHTHUXXSLDTYJN-SECBINFHSA-N -1 3 243.328 2.137 20 0 BEADHM O=C(NC1CC1)c1cc([O-])ccc1C(F)(F)F ZINC000188865772 182099675 /nfs/dbraw/zinc/09/96/75/182099675.db2.gz KCKBVRQYIZWCIG-UHFFFAOYSA-N -1 3 245.200 2.303 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@H]2C(F)F)c([O-])c1 ZINC000633238040 373389335 /nfs/dbraw/zinc/38/93/35/373389335.db2.gz ZAVRRAGHJQLWMY-VIFPVBQESA-N -1 3 241.237 2.180 20 0 BEADHM Cc1cccc([O-])c1C(=O)NCC(C)(C)F ZINC000633718857 373702291 /nfs/dbraw/zinc/70/22/91/373702291.db2.gz KVFRRZJYYWHUSN-UHFFFAOYSA-N -1 3 225.263 2.179 20 0 BEADHM CC(C)c1cc([N-]C(=O)[C@@](C)(O)C(C)C)on1 ZINC000633906440 373840768 /nfs/dbraw/zinc/84/07/68/373840768.db2.gz YYDIQNZEDNRMMW-LBPRGKRZSA-N -1 3 240.303 2.144 20 0 BEADHM O=C(NCc1ccc(F)cc1)c1cccc([O-])c1 ZINC000019839584 182250485 /nfs/dbraw/zinc/25/04/85/182250485.db2.gz ORHWUNWVQUSARV-UHFFFAOYSA-N -1 3 245.253 2.461 20 0 BEADHM O=C([N-]OCc1cccnc1)C(C1CC1)C1CC1 ZINC000128213686 182285053 /nfs/dbraw/zinc/28/50/53/182285053.db2.gz HBIFQZOINVMVOB-UHFFFAOYSA-N -1 3 246.310 2.066 20 0 BEADHM [O-]C(=NOCC1CC1)Nc1ccccc1F ZINC000292299538 182281804 /nfs/dbraw/zinc/28/18/04/182281804.db2.gz KGTSMZRJPSCCAI-UHFFFAOYSA-N -1 3 224.235 2.289 20 0 BEADHM O=C([N-]OCC1CC1)Nc1ccccc1F ZINC000292299538 182281805 /nfs/dbraw/zinc/28/18/05/182281805.db2.gz KGTSMZRJPSCCAI-UHFFFAOYSA-N -1 3 224.235 2.289 20 0 BEADHM O=C([N-]O[C@@H]1CCCCO1)C1=CCCCC1 ZINC000275650216 182284134 /nfs/dbraw/zinc/28/41/34/182284134.db2.gz CMJDKGCIQXVRRZ-LLVKDONJSA-N -1 3 225.288 2.061 20 0 BEADHM O=C([N-][C@@H]1CCOc2c(F)cccc21)C(F)F ZINC000369626860 182307801 /nfs/dbraw/zinc/30/78/01/182307801.db2.gz CXZRLZNAQAFSRC-MRVPVSSYSA-N -1 3 245.200 2.031 20 0 BEADHM O=C([N-][C@@H]1CCc2c1cccc2F)C(F)F ZINC000278451829 182312293 /nfs/dbraw/zinc/31/22/93/182312293.db2.gz NGYKGXGVDZOHQW-SECBINFHSA-N -1 3 229.201 2.194 20 0 BEADHM OCC[C@@H]([N-]c1nnc(C2CC2)o1)c1ccco1 ZINC000278208438 183090814 /nfs/dbraw/zinc/09/08/14/183090814.db2.gz FMKZVKFHPRQHNH-SECBINFHSA-N -1 3 249.270 2.076 20 0 BEADHM CCCN(C)C(=O)c1cc(C)ccc1[O-] ZINC000037098746 169059523 /nfs/dbraw/zinc/05/95/23/169059523.db2.gz HUCWTPOKVYXWAB-UHFFFAOYSA-N -1 3 207.273 2.183 20 0 BEADHM CCCN(C)C(=O)c1ccc(CC)cc1[O-] ZINC000190628715 169061717 /nfs/dbraw/zinc/06/17/17/169061717.db2.gz PELCPFCQVOIWAR-UHFFFAOYSA-N -1 3 221.300 2.437 20 0 BEADHM [O-]c1ccc(F)c(CN[C@@H]2C[C@H]2C(F)F)c1F ZINC000353494288 183273373 /nfs/dbraw/zinc/27/33/73/183273373.db2.gz YVJTTYUYQZNIBT-SVGQVSJJSA-N -1 3 249.207 2.414 20 0 BEADHM [O-]c1ccc(F)c(CN[C@@H]2C[C@@H]2C(F)F)c1F ZINC000353494291 183273587 /nfs/dbraw/zinc/27/35/87/183273587.db2.gz YVJTTYUYQZNIBT-YLWLKBPMSA-N -1 3 249.207 2.414 20 0 BEADHM [O-]c1cc(F)cc(CNC2CC(F)(F)C2)c1 ZINC000277785515 183258974 /nfs/dbraw/zinc/25/89/74/183258974.db2.gz ZOOSUWIQBSNLQK-UHFFFAOYSA-N -1 3 231.217 2.419 20 0 BEADHM [O-]c1cc(F)cc(CN2CCC(F)(F)C2)c1 ZINC000313332537 183259100 /nfs/dbraw/zinc/25/91/00/183259100.db2.gz ZTIASMQLTQBIFQ-UHFFFAOYSA-N -1 3 231.217 2.372 20 0 BEADHM CCCN(Cc1nc(CC)cc(=O)[n-]1)CC1CC1 ZINC000120987889 169181860 /nfs/dbraw/zinc/18/18/60/169181860.db2.gz ZJNZOTHVNDRKLP-UHFFFAOYSA-N -1 3 249.358 2.367 20 0 BEADHM CCCS(=O)(=O)[N-]c1cncc(Cl)c1C ZINC000295252222 169334292 /nfs/dbraw/zinc/33/42/92/169334292.db2.gz WWNXHNSKTKOLGH-UHFFFAOYSA-N -1 3 248.735 2.195 20 0 BEADHM CCC[C@@H](C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000112897101 169354064 /nfs/dbraw/zinc/35/40/64/169354064.db2.gz MHKSYAQXOBSKDR-MRVPVSSYSA-N -1 3 248.286 2.439 20 0 BEADHM CCC[C@@H](C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000112897101 169354067 /nfs/dbraw/zinc/35/40/67/169354067.db2.gz MHKSYAQXOBSKDR-MRVPVSSYSA-N -1 3 248.286 2.439 20 0 BEADHM CCC[C@@H](C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000112897101 169354068 /nfs/dbraw/zinc/35/40/68/169354068.db2.gz MHKSYAQXOBSKDR-MRVPVSSYSA-N -1 3 248.286 2.439 20 0 BEADHM O=C([N-]c1nncs1)c1ccc(F)c(F)c1 ZINC000048797052 383857798 /nfs/dbraw/zinc/85/77/98/383857798.db2.gz UZFHUMAMULZHMG-UHFFFAOYSA-N -1 3 241.222 2.069 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CC(C)C)o1 ZINC000358607067 383983634 /nfs/dbraw/zinc/98/36/34/383983634.db2.gz WXGNLFACJCRKNC-SECBINFHSA-N -1 3 245.344 2.301 20 0 BEADHM Cc1occc1CN(C)Cc1ncccc1[O-] ZINC000558401692 383983927 /nfs/dbraw/zinc/98/39/27/383983927.db2.gz QZUKNSHNWPLAPA-UHFFFAOYSA-N -1 3 232.283 2.321 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCC3(CC3)CC2)n1 ZINC000363459246 384062232 /nfs/dbraw/zinc/06/22/32/384062232.db2.gz IZJMFRMOXMMZCF-UHFFFAOYSA-N -1 3 247.342 2.121 20 0 BEADHM CCO[N-]C(=O)CCSc1ccccc1F ZINC000070273644 384095572 /nfs/dbraw/zinc/09/55/72/384095572.db2.gz HKPDKTFBGKPJJD-UHFFFAOYSA-N -1 3 243.303 2.376 20 0 BEADHM Cc1cc(C(=O)[N-]c2nc(C)no2)sc1C ZINC000042702496 384236701 /nfs/dbraw/zinc/23/67/01/384236701.db2.gz YZCHSFNIEZOZOY-UHFFFAOYSA-N -1 3 237.284 2.309 20 0 BEADHM CO[N-]C(=O)C[C@H](C)Cc1cccc(F)c1 ZINC000072864340 384236725 /nfs/dbraw/zinc/23/67/25/384236725.db2.gz UUKXFQUHRNINDE-SECBINFHSA-N -1 3 225.263 2.072 20 0 BEADHM Cc1ccc(C(=O)NC2(C)CCC2)c([O-])c1 ZINC000093246202 384224835 /nfs/dbraw/zinc/22/48/35/384224835.db2.gz MXXJEQVEONSZGQ-UHFFFAOYSA-N -1 3 219.284 2.373 20 0 BEADHM CCN(C[C@H]1CCCO1)C(=O)c1cccc([O-])c1 ZINC000042471122 384226096 /nfs/dbraw/zinc/22/60/96/384226096.db2.gz PIEVGBRKBFQNKL-CYBMUJFWSA-N -1 3 249.310 2.033 20 0 BEADHM Cc1ccc(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)o1 ZINC000304414649 384288424 /nfs/dbraw/zinc/28/84/24/384288424.db2.gz QDOQAPCHDTZKMF-SKDRFNHKSA-N -1 3 237.299 2.131 20 0 BEADHM CCC(C)(C)NC(=O)/C=C/c1cncc([O-])c1 ZINC000179411275 384290759 /nfs/dbraw/zinc/29/07/59/384290759.db2.gz XYKAXAHWGNRHIV-AATRIKPKSA-N -1 3 234.299 2.105 20 0 BEADHM COCCCC(=O)N1CCCc2cccc([O-])c21 ZINC000095036227 384326143 /nfs/dbraw/zinc/32/61/43/384326143.db2.gz XCMYZSPFXFJJNL-UHFFFAOYSA-N -1 3 249.310 2.098 20 0 BEADHM Cc1ccc(F)c(CNC(C)(C)C(=O)[O-])c1 ZINC000084943555 384450854 /nfs/dbraw/zinc/45/08/54/384450854.db2.gz YZGYYLMKTXZTEI-UHFFFAOYSA-N -1 3 225.263 2.087 20 0 BEADHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)C2(C)CC2)n1 ZINC000122103668 384456943 /nfs/dbraw/zinc/45/69/43/384456943.db2.gz IQWCFPIYIANUKS-SNVBAGLBSA-N -1 3 249.358 2.365 20 0 BEADHM CC(C)CO[N-]C(=O)Cc1ccc(F)cc1 ZINC000135334354 384437905 /nfs/dbraw/zinc/43/79/05/384437905.db2.gz ZSCMXWCZMUCOKA-UHFFFAOYSA-N -1 3 225.263 2.072 20 0 BEADHM O=C(/C=C/c1cccnc1)[N-]OC1CCCC1 ZINC000135689382 384462566 /nfs/dbraw/zinc/46/25/66/384462566.db2.gz UGIOTPMZQITKSL-BQYQJAHWSA-N -1 3 232.283 2.085 20 0 BEADHM C[C@H](N(C)C(=O)c1ccc(O)cc1[O-])C1(C)CC1 ZINC000175609953 384464948 /nfs/dbraw/zinc/46/49/48/384464948.db2.gz UVIASRKPGGUWAY-VIFPVBQESA-N -1 3 249.310 2.358 20 0 BEADHM CO[N-]C(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000079453578 384496298 /nfs/dbraw/zinc/49/62/98/384496298.db2.gz JXBXOQWABSGJQD-VIFPVBQESA-N -1 3 225.263 2.072 20 0 BEADHM CCO[N-]C(=O)[C@@H](C)CCc1ccccc1F ZINC000079429780 384496375 /nfs/dbraw/zinc/49/63/75/384496375.db2.gz TVABQTGVGFXYHN-JTQLQIEISA-N -1 3 239.290 2.462 20 0 BEADHM Cc1ccc(C(=O)Nc2ccncc2)c([O-])c1 ZINC000019837704 384546636 /nfs/dbraw/zinc/54/66/36/384546636.db2.gz TZLZBWJIZGLFTL-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM CC(C)CO[N-]C(=O)Nc1ccc(Cl)nc1 ZINC000123378640 384554316 /nfs/dbraw/zinc/55/43/16/384554316.db2.gz YBHWTYJMSTVNFS-UHFFFAOYSA-N -1 3 243.694 2.444 20 0 BEADHM CO[C@@H](C)CCC(=O)Nc1cc(F)ccc1[O-] ZINC000184136497 384573176 /nfs/dbraw/zinc/57/31/76/384573176.db2.gz QNIMFZSNNDTYMC-QMMMGPOBSA-N -1 3 241.262 2.285 20 0 BEADHM Cc1csc(CNc2ccncc2C(=O)[O-])c1 ZINC000379107203 384598658 /nfs/dbraw/zinc/59/86/58/384598658.db2.gz IOIBBCZGYATBMV-UHFFFAOYSA-N -1 3 248.307 2.184 20 0 BEADHM C[C@@H]1CC[C@@H](CNC(=O)c2c([O-])cccc2O)C1 ZINC000232434926 259654446 /nfs/dbraw/zinc/65/44/46/259654446.db2.gz BDWUIZVXSLIEMM-NXEZZACHSA-N -1 3 249.310 2.264 20 0 BEADHM C[C@H](C(=O)[O-])N(C)Cc1cc(Cl)cs1 ZINC000086334801 384639956 /nfs/dbraw/zinc/63/99/56/384639956.db2.gz IRQDAQUIDACUSO-ZCFIWIBFSA-N -1 3 233.720 2.306 20 0 BEADHM Cc1ccc([O-])c(C(=O)NOCC(C)C)c1 ZINC000124529834 384649663 /nfs/dbraw/zinc/64/96/63/384649663.db2.gz NSCAWJNIAZJVFT-UHFFFAOYSA-N -1 3 223.272 2.018 20 0 BEADHM CN(CCCC(=O)[O-])Cc1ccc(F)cc1F ZINC000050885403 384650196 /nfs/dbraw/zinc/65/01/96/384650196.db2.gz SLEJESIGXFTSRR-UHFFFAOYSA-N -1 3 243.253 2.261 20 0 BEADHM CSC[C@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000124551976 384651439 /nfs/dbraw/zinc/65/14/39/384651439.db2.gz HUCHQNQJOVDGBI-VIFPVBQESA-N -1 3 239.340 2.182 20 0 BEADHM COc1cc(C(=O)N2CCCCCC2)ccc1[O-] ZINC000082265688 384657619 /nfs/dbraw/zinc/65/76/19/384657619.db2.gz IVWPQEIRNPDNJA-UHFFFAOYSA-N -1 3 249.310 2.417 20 0 BEADHM O=C(NC[C@@H]1CC=CCC1)c1ccccc1[O-] ZINC000044569495 384659125 /nfs/dbraw/zinc/65/91/25/384659125.db2.gz MTEBJBXKGRWRME-LLVKDONJSA-N -1 3 231.295 2.478 20 0 BEADHM O=C([O-])CCC1CCN(Cc2ccncc2)CC1 ZINC000050926090 384706165 /nfs/dbraw/zinc/70/61/65/384706165.db2.gz IFPLDSYHUAPISK-UHFFFAOYSA-N -1 3 248.326 2.158 20 0 BEADHM Cc1ccc([O-])c(C(=O)N(C)C2CCC2)c1 ZINC000126347608 384793226 /nfs/dbraw/zinc/79/32/26/384793226.db2.gz RKJDLSCUYMMMDS-UHFFFAOYSA-N -1 3 219.284 2.325 20 0 BEADHM CCOCCc1nc(-c2ccc([O-])cc2)no1 ZINC000053733375 384802677 /nfs/dbraw/zinc/80/26/77/384802677.db2.gz HMFJSIOKEXAEBY-UHFFFAOYSA-N -1 3 234.255 2.021 20 0 BEADHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000186822022 384887743 /nfs/dbraw/zinc/88/77/43/384887743.db2.gz QEGLUJNARFXLAA-BDAKNGLRSA-N -1 3 220.272 2.018 20 0 BEADHM Cc1oncc1NCc1cc([O-])cc(F)c1 ZINC000309914667 384904164 /nfs/dbraw/zinc/90/41/64/384904164.db2.gz OQICFWSVCUBTBG-UHFFFAOYSA-N -1 3 222.219 2.440 20 0 BEADHM CCC1(NC(=O)c2ccc3n[n-]nc3c2)CCC1 ZINC000175462702 384913780 /nfs/dbraw/zinc/91/37/80/384913780.db2.gz PSUNVUSJXLNFIQ-UHFFFAOYSA-N -1 3 244.298 2.020 20 0 BEADHM Cc1ccc(CC(=O)[N-]OCC(C)C)cc1 ZINC000085261704 384930248 /nfs/dbraw/zinc/93/02/48/384930248.db2.gz ICBOGNGJQMEKEW-UHFFFAOYSA-N -1 3 221.300 2.241 20 0 BEADHM O=C([O-])[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC000062134451 384969437 /nfs/dbraw/zinc/96/94/37/384969437.db2.gz CDASOARGJZOATM-SNVBAGLBSA-N -1 3 239.702 2.247 20 0 BEADHM CC[C@@H](C)OCC(=O)Nc1ccc(C)cc1[O-] ZINC000128002275 384977993 /nfs/dbraw/zinc/97/79/93/384977993.db2.gz RCJDVNKLBWTRDQ-SNVBAGLBSA-N -1 3 237.299 2.454 20 0 BEADHM O=C(N=c1cc2ccccn2[n-]1)C1=CCCCC1 ZINC000557528711 385008352 /nfs/dbraw/zinc/00/83/52/385008352.db2.gz OYILDRJDDFCIPL-UHFFFAOYSA-N -1 3 241.294 2.195 20 0 BEADHM C[C@H]1CC[C@@H](C(=O)N=c2cc3ccccn3[n-]2)C1 ZINC000557539347 385011958 /nfs/dbraw/zinc/01/19/58/385011958.db2.gz WQCQILSAZQLREX-WDEREUQCSA-N -1 3 243.310 2.131 20 0 BEADHM CCc1ccc(C(=O)NC(C)C)c([O-])c1 ZINC000188379135 385045440 /nfs/dbraw/zinc/04/54/40/385045440.db2.gz GSQUNZZEWXBUOT-UHFFFAOYSA-N -1 3 207.273 2.093 20 0 BEADHM CCCCNC(=O)c1cc(C)ccc1[O-] ZINC000019838377 385112778 /nfs/dbraw/zinc/11/27/78/385112778.db2.gz CFAPGIQWDJSCNK-UHFFFAOYSA-N -1 3 207.273 2.231 20 0 BEADHM Cc1cccc(C(=O)Nc2ccncc2)c1[O-] ZINC000019837702 385115104 /nfs/dbraw/zinc/11/51/04/385115104.db2.gz XZHNUKVQFOVGCH-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H](C)[C@@H]2C)n1 ZINC000176899904 385157386 /nfs/dbraw/zinc/15/73/86/385157386.db2.gz DFCYIMYARSCEME-MNOVXSKESA-N -1 3 249.358 2.365 20 0 BEADHM CC(C)c1ccc(CN2CC(C(=O)[O-])C2)cc1 ZINC000071173811 385168848 /nfs/dbraw/zinc/16/88/48/385168848.db2.gz FPGMEKIDMIDSRF-UHFFFAOYSA-N -1 3 233.311 2.326 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CCCC2(C)C)c1 ZINC000063072972 385206751 /nfs/dbraw/zinc/20/67/51/385206751.db2.gz RUQIWTFFTSCCSB-UHFFFAOYSA-N -1 3 249.310 2.415 20 0 BEADHM CO[N-]C(=O)CCCCc1ccc(C)cc1 ZINC000063643892 385231513 /nfs/dbraw/zinc/23/15/13/385231513.db2.gz IESBMGDEJBQINV-UHFFFAOYSA-N -1 3 221.300 2.385 20 0 BEADHM CCc1cc(=O)[n-]c(CN[C@@H]2CCCC2(C)C)n1 ZINC000191859524 385330179 /nfs/dbraw/zinc/33/01/79/385330179.db2.gz BZUIMNFYVUIHKV-LLVKDONJSA-N -1 3 249.358 2.413 20 0 BEADHM CC(C)c1ccccc1NC(=O)c1cnn[n-]1 ZINC000108629988 385340990 /nfs/dbraw/zinc/34/09/90/385340990.db2.gz PXLWKXRXLQKAJH-UHFFFAOYSA-N -1 3 230.271 2.180 20 0 BEADHM CC(C)c1ccccc1NC(=O)c1c[n-]nn1 ZINC000108629988 385340993 /nfs/dbraw/zinc/34/09/93/385340993.db2.gz PXLWKXRXLQKAJH-UHFFFAOYSA-N -1 3 230.271 2.180 20 0 BEADHM CC(C)c1ccccc1NC(=O)c1cn[n-]n1 ZINC000108629988 385340999 /nfs/dbraw/zinc/34/09/99/385340999.db2.gz PXLWKXRXLQKAJH-UHFFFAOYSA-N -1 3 230.271 2.180 20 0 BEADHM CCc1cccc(C(=O)N2C[C@H](C)[C@@H]2C)c1[O-] ZINC000647314924 385363210 /nfs/dbraw/zinc/36/32/10/385363210.db2.gz IQWQWMDWOKKHBW-UWVGGRQHSA-N -1 3 233.311 2.435 20 0 BEADHM CC/C=C/CNCc1nc(C)ccc1[O-] ZINC000295019377 385380628 /nfs/dbraw/zinc/38/06/28/385380628.db2.gz KJLWPQWFGROQNW-SNAWJCMRSA-N -1 3 206.289 2.151 20 0 BEADHM CCN(C(=O)/C=C/c1cncc([O-])c1)C(C)C ZINC000181908821 385448527 /nfs/dbraw/zinc/44/85/27/385448527.db2.gz DVYUIRWZKNYGCW-AATRIKPKSA-N -1 3 234.299 2.057 20 0 BEADHM CC/C=C(\C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000170849602 385450816 /nfs/dbraw/zinc/45/08/16/385450816.db2.gz LAWZGEUMNJZMAV-SNAWJCMRSA-N -1 3 248.208 2.118 20 0 BEADHM CCC=C(C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000170849602 385450818 /nfs/dbraw/zinc/45/08/18/385450818.db2.gz LAWZGEUMNJZMAV-SNAWJCMRSA-N -1 3 248.208 2.118 20 0 BEADHM C[C@@H]1CCN(C(=O)/C=C/c2cncc([O-])c2)[C@@H]1C ZINC000182078904 385455702 /nfs/dbraw/zinc/45/57/02/385455702.db2.gz LKHYHTPRCBWNEO-YIZUVKHSSA-N -1 3 246.310 2.057 20 0 BEADHM Cc1csc2[n-]c([C@@H]3CCCO3)nc(=O)c12 ZINC000178984705 385431499 /nfs/dbraw/zinc/43/14/99/385431499.db2.gz WUPPEKOBFWUWBZ-ZETCQYMHSA-N -1 3 236.296 2.145 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(Cl)c(OC)c1 ZINC000194439981 385435487 /nfs/dbraw/zinc/43/54/87/385435487.db2.gz RTJHVZMXWDSIOO-UHFFFAOYSA-N -1 3 244.678 2.422 20 0 BEADHM CN(CC1CCCC1)C(=O)c1ccc(O)cc1[O-] ZINC000179461907 385467652 /nfs/dbraw/zinc/46/76/52/385467652.db2.gz GGHLZUNXKMVAIU-UHFFFAOYSA-N -1 3 249.310 2.360 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)/C=C/c1ccc(C)nc1 ZINC000492897310 385460630 /nfs/dbraw/zinc/46/06/30/385460630.db2.gz QJJVIYYTNXNZFZ-WSKFYRRCSA-N -1 3 248.326 2.497 20 0 BEADHM Cc1ccc(NC(=O)c2cc[nH]c2)c([O-])c1 ZINC000109935958 385490898 /nfs/dbraw/zinc/49/08/98/385490898.db2.gz DKAZTJSYOJGZFH-UHFFFAOYSA-N -1 3 216.240 2.281 20 0 BEADHM CC(C)(C)CC(=O)Nc1ccncc1[O-] ZINC000109890443 385490090 /nfs/dbraw/zinc/49/00/90/385490090.db2.gz OSGVSYKXKQCWEN-UHFFFAOYSA-N -1 3 208.261 2.162 20 0 BEADHM CC1(C)CCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000180853553 385551070 /nfs/dbraw/zinc/55/10/70/385551070.db2.gz HENBEXYSKGWXJN-UHFFFAOYSA-N -1 3 249.310 2.360 20 0 BEADHM CCO[N-]C(=O)Cc1ccc(SCC)cc1 ZINC000269707249 385625438 /nfs/dbraw/zinc/62/54/38/385625438.db2.gz OQEWFVRNOZDKQM-UHFFFAOYSA-N -1 3 239.340 2.409 20 0 BEADHM CSCCCN(C)Cc1nc(C)ccc1[O-] ZINC000281115711 385636013 /nfs/dbraw/zinc/63/60/13/385636013.db2.gz BSHGUXXWMXYLEC-UHFFFAOYSA-N -1 3 240.372 2.281 20 0 BEADHM CC[C@@H](C)OCC(=O)[N-]c1onc(C)c1C ZINC000269883292 385646034 /nfs/dbraw/zinc/64/60/34/385646034.db2.gz ZYMFURCQEVFGOD-SSDOTTSWSA-N -1 3 226.276 2.045 20 0 BEADHM O=C(CCCC1CC1)Nc1ncccc1[O-] ZINC000643127918 385648587 /nfs/dbraw/zinc/64/85/87/385648587.db2.gz ZMXUTRLATIOZEU-UHFFFAOYSA-N -1 3 220.272 2.306 20 0 BEADHM CCCc1occc1C(=O)[N-]c1nc(C)no1 ZINC000281369188 385663926 /nfs/dbraw/zinc/66/39/26/385663926.db2.gz WKXFZPCJNDIEDR-UHFFFAOYSA-N -1 3 235.243 2.176 20 0 BEADHM O=C([N-]c1nccs1)c1cc(C2CC2)no1 ZINC000281511015 385676916 /nfs/dbraw/zinc/67/69/16/385676916.db2.gz SNOYWNPCQKQCRF-UHFFFAOYSA-N -1 3 235.268 2.261 20 0 BEADHM Cc1ccc(NC(=O)C[C@](C)(O)C2CC2)c([O-])c1 ZINC000270418558 385706187 /nfs/dbraw/zinc/70/61/87/385706187.db2.gz KCTHWVIOKNDWMU-AWEZNQCLSA-N -1 3 249.310 2.190 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(C)cc1C ZINC000182863682 385713309 /nfs/dbraw/zinc/71/33/09/385713309.db2.gz PNJGSKUDIHTPKI-UHFFFAOYSA-N -1 3 208.261 2.376 20 0 BEADHM CCc1cc(=O)[n-]c(CN[C@@H](C)[C@@H](C)CC)n1 ZINC000183054268 385732616 /nfs/dbraw/zinc/73/26/16/385732616.db2.gz UMICCNHJFGTKCW-UWVGGRQHSA-N -1 3 237.347 2.269 20 0 BEADHM CC[C@H]1CCN1C(=O)c1cc(OC)ccc1[O-] ZINC000294015261 385786446 /nfs/dbraw/zinc/78/64/46/385786446.db2.gz MXKYZVQZACSMHQ-VIFPVBQESA-N -1 3 235.283 2.025 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c([O-])c1 ZINC000282644558 385775843 /nfs/dbraw/zinc/77/58/43/385775843.db2.gz KRDHWPASVUFOGZ-OPQQBVKSSA-N -1 3 249.310 2.453 20 0 BEADHM CCO[N-]C(=O)Nc1ccc2nc(C)oc2c1 ZINC000182911995 385719957 /nfs/dbraw/zinc/71/99/57/385719957.db2.gz VSTATSSTCIFYJX-UHFFFAOYSA-N -1 3 235.243 2.209 20 0 BEADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000182911067 385720909 /nfs/dbraw/zinc/72/09/09/385720909.db2.gz HIRKGNIDVRDGTC-RKDXNWHRSA-N -1 3 222.288 2.408 20 0 BEADHM CCOc1cc(C(=O)[N-]c2ccc(C)cn2)on1 ZINC000294340255 385839343 /nfs/dbraw/zinc/83/93/43/385839343.db2.gz LELRDPPRNWFNGI-UHFFFAOYSA-N -1 3 247.254 2.029 20 0 BEADHM O=C([O-])C1(NCc2cc(F)cc(Cl)c2)CC1 ZINC000283793012 385794850 /nfs/dbraw/zinc/79/48/50/385794850.db2.gz FZRNGOHHICPBNY-UHFFFAOYSA-N -1 3 243.665 2.186 20 0 BEADHM CCOc1cc(C(=O)[N-]c2ccncc2C)on1 ZINC000294774646 385894600 /nfs/dbraw/zinc/89/46/00/385894600.db2.gz ZJXPKFDXQQTGHG-UHFFFAOYSA-N -1 3 247.254 2.029 20 0 BEADHM COC(=O)c1cnc(SCCCCF)[n-]1 ZINC000285337783 385915881 /nfs/dbraw/zinc/91/58/81/385915881.db2.gz ZGDDPLTVSLSKSP-UHFFFAOYSA-N -1 3 232.280 2.038 20 0 BEADHM CCO[N-]C(=O)Nc1nc2ccsc2s1 ZINC000272610093 385917614 /nfs/dbraw/zinc/91/76/14/385917614.db2.gz ROITXVBYDJQQPT-UHFFFAOYSA-N -1 3 243.313 2.431 20 0 BEADHM CCc1ccc(C(=O)NC(C)(C)C)c([O-])c1 ZINC000189072711 385922863 /nfs/dbraw/zinc/92/28/63/385922863.db2.gz KPXHYCYMCIMFKE-UHFFFAOYSA-N -1 3 221.300 2.483 20 0 BEADHM CC(C)CONC(=O)c1cc([O-])ccc1Cl ZINC000232589839 385881577 /nfs/dbraw/zinc/88/15/77/385881577.db2.gz ZKMHWCVUVMXCDI-UHFFFAOYSA-N -1 3 243.690 2.363 20 0 BEADHM Cc1ccc(NC(=O)[C@]2(C)CCCOC2)c([O-])c1 ZINC000272949255 385954602 /nfs/dbraw/zinc/95/46/02/385954602.db2.gz URTMYQGQYSNWIE-CQSZACIVSA-N -1 3 249.310 2.456 20 0 BEADHM CC[C@H]1C[C@H](NC(=O)c2cccc([O-])c2)CCO1 ZINC000335066418 386006669 /nfs/dbraw/zinc/00/66/69/386006669.db2.gz FOAYCDIFNLRSNO-YPMHNXCESA-N -1 3 249.310 2.080 20 0 BEADHM Cc1nnc([N-][C@H](C)c2nc3ccccc3[nH]2)o1 ZINC000286211344 386007723 /nfs/dbraw/zinc/00/77/23/386007723.db2.gz SEFMRRKPXVZPLW-SSDOTTSWSA-N -1 3 243.270 2.427 20 0 BEADHM COC[C@H](C)N(C)Cc1c(F)ccc([O-])c1F ZINC000295358595 386018373 /nfs/dbraw/zinc/01/83/73/386018373.db2.gz NONGLTIOTWUBAQ-QMMMGPOBSA-N -1 3 245.269 2.137 20 0 BEADHM CO[C@@H](CC(C)C)C(=O)[N-]c1onc(C)c1C ZINC000415230293 386020455 /nfs/dbraw/zinc/02/04/55/386020455.db2.gz PIHDSLSUHMTQEJ-JTQLQIEISA-N -1 3 240.303 2.291 20 0 BEADHM Cc1ccc(C(=O)N2CC(C3CC3)C2)c([O-])c1C ZINC000643292302 386075111 /nfs/dbraw/zinc/07/51/11/386075111.db2.gz DAAFSNGLSWMXJK-UHFFFAOYSA-N -1 3 245.322 2.491 20 0 BEADHM CC/C(C)=C/C(=O)Nc1ncccc1[O-] ZINC000295865139 386097528 /nfs/dbraw/zinc/09/75/28/386097528.db2.gz YNPRXWCXMANDEV-BQYQJAHWSA-N -1 3 206.245 2.082 20 0 BEADHM Cc1nc(C)c(NC([O-])=NOC(C)C)s1 ZINC000296660646 386189826 /nfs/dbraw/zinc/18/98/26/386189826.db2.gz QHEMQCNGWNASMP-UHFFFAOYSA-N -1 3 229.305 2.221 20 0 BEADHM Cc1nc(C)c(NC(=O)[N-]OC(C)C)s1 ZINC000296660646 386189830 /nfs/dbraw/zinc/18/98/30/386189830.db2.gz QHEMQCNGWNASMP-UHFFFAOYSA-N -1 3 229.305 2.221 20 0 BEADHM CCc1ccc(C(=O)NCc2ccoc2)c([O-])c1 ZINC000190354756 386176319 /nfs/dbraw/zinc/17/63/19/386176319.db2.gz WPGHCKZNNWRLLH-UHFFFAOYSA-N -1 3 245.278 2.478 20 0 BEADHM CC(=O)c1ccc(C(=O)NC2CCCC2)cc1[O-] ZINC000334465054 386136607 /nfs/dbraw/zinc/13/66/07/386136607.db2.gz CBYFSNTWWJCFND-UHFFFAOYSA-N -1 3 247.294 2.267 20 0 BEADHM COc1cc(C(=O)N2CC[C@H](C)[C@@H]2C)ccc1[O-] ZINC000276010944 386260813 /nfs/dbraw/zinc/26/08/13/386260813.db2.gz QIIJMFUTMJNDIL-UWVGGRQHSA-N -1 3 249.310 2.271 20 0 BEADHM CCc1ccc([O-])c(C(=O)NC[C@@H]2CC23CC3)c1 ZINC000416253234 386245731 /nfs/dbraw/zinc/24/57/31/386245731.db2.gz CLUKXEXQUOWUQB-NSHDSACASA-N -1 3 245.322 2.485 20 0 BEADHM CSCCN(C)Cc1c(F)ccc([O-])c1F ZINC000340585079 386285466 /nfs/dbraw/zinc/28/54/66/386285466.db2.gz ZMSHFRVZDVOUIT-UHFFFAOYSA-N -1 3 247.310 2.465 20 0 BEADHM Cc1ccc2nccc(NCCCC(=O)[O-])c2c1 ZINC000416428572 386303205 /nfs/dbraw/zinc/30/32/05/386303205.db2.gz REHSVXZIKRWUMA-UHFFFAOYSA-N -1 3 244.294 2.242 20 0 BEADHM O=[S@](CC[C@@H]1CCCO1)c1cccc([O-])c1 ZINC000276400413 386316570 /nfs/dbraw/zinc/31/65/70/386316570.db2.gz UIUNSQDFNZNKHR-MEDUHNTESA-N -1 3 240.324 2.069 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC[C@@](C)(CC)C2)n1 ZINC000336697238 386379228 /nfs/dbraw/zinc/37/92/28/386379228.db2.gz FNBOBTUEOOLVMU-CQSZACIVSA-N -1 3 249.358 2.367 20 0 BEADHM Cc1ccc(NC(=O)[C@H]2CCO[C@H]2C)c([O-])c1 ZINC000094178601 386448523 /nfs/dbraw/zinc/44/85/23/386448523.db2.gz XLHHIDKXLOLMKS-UWVGGRQHSA-N -1 3 235.283 2.064 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC2CC(F)(F)C2)c1 ZINC000277463206 386436588 /nfs/dbraw/zinc/43/65/88/386436588.db2.gz GRRRWIMIQNKWII-UHFFFAOYSA-N -1 3 241.237 2.228 20 0 BEADHM C[C@H](CF)NC(=O)c1cc([O-])ccc1Cl ZINC000290852007 386481484 /nfs/dbraw/zinc/48/14/84/386481484.db2.gz JCXJNMDJCGTPAV-ZCFIWIBFSA-N -1 3 231.654 2.133 20 0 BEADHM CC[C@@H](C)C[C@H](C)Nc1nc2nncc-2c(O)[n-]1 ZINC000290864348 386484192 /nfs/dbraw/zinc/48/41/92/386484192.db2.gz YZBHCNLEINITHS-SFYZADRCSA-N -1 3 249.318 2.295 20 0 BEADHM C[C@@H](CC(C)(C)C)NC(=O)c1csc(=O)[n-]1 ZINC000457199780 386513075 /nfs/dbraw/zinc/51/30/75/386513075.db2.gz WGPJKCQJTAZWBX-ZETCQYMHSA-N -1 3 242.344 2.403 20 0 BEADHM CC(C)[C@H](C)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000525865082 386514448 /nfs/dbraw/zinc/51/44/48/386514448.db2.gz YFKJACSKUCOZSI-VIFPVBQESA-N -1 3 246.314 2.074 20 0 BEADHM CC(C)[C@H](C)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000525865082 386514452 /nfs/dbraw/zinc/51/44/52/386514452.db2.gz YFKJACSKUCOZSI-VIFPVBQESA-N -1 3 246.314 2.074 20 0 BEADHM CC(C)[C@H](C)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000525865082 386514458 /nfs/dbraw/zinc/51/44/58/386514458.db2.gz YFKJACSKUCOZSI-VIFPVBQESA-N -1 3 246.314 2.074 20 0 BEADHM O=C([O-])C1(NCc2ccsc2Cl)CC1 ZINC000308520606 386544192 /nfs/dbraw/zinc/54/41/92/386544192.db2.gz OPEMPDABRVMZSD-UHFFFAOYSA-N -1 3 231.704 2.108 20 0 BEADHM CC(C)[C@]1(C)C[C@@H]1C(=O)[N-]OC/C=C/Cl ZINC000291434969 386546325 /nfs/dbraw/zinc/54/63/25/386546325.db2.gz ARLSTCCZDSZQOT-IPFDCLDFSA-N -1 3 231.723 2.469 20 0 BEADHM Cc1noc([N-]C(=O)[C@H]2CCC(C)(C)O2)c1C ZINC000278672190 386565010 /nfs/dbraw/zinc/56/50/10/386565010.db2.gz KDFSLIZTHUDERN-SECBINFHSA-N -1 3 238.287 2.188 20 0 BEADHM CC(C)(C(=O)[N-]OC/C=C/Cl)C1CC1 ZINC000291704306 386571563 /nfs/dbraw/zinc/57/15/63/386571563.db2.gz COFMUWIVZSREJI-ZZXKWVIFSA-N -1 3 217.696 2.223 20 0 BEADHM Cc1csc(C2([N-]C(=O)C(F)F)CCC2)n1 ZINC000279041242 386624396 /nfs/dbraw/zinc/62/43/96/386624396.db2.gz OOMVJNRELBZVLF-UHFFFAOYSA-N -1 3 246.282 2.212 20 0 BEADHM CCc1cc(=O)[n-]c(CN(C)C(C)(C)CC)n1 ZINC000268189945 386627775 /nfs/dbraw/zinc/62/77/75/386627775.db2.gz FOYSZJZXYXIMQT-UHFFFAOYSA-N -1 3 237.347 2.365 20 0 BEADHM CCc1cc(=O)[n-]c(CN(C)CC(C)(C)C)n1 ZINC000268250437 386632647 /nfs/dbraw/zinc/63/26/47/386632647.db2.gz UNLQXDFYWWMVSX-UHFFFAOYSA-N -1 3 237.347 2.223 20 0 BEADHM CC(C)(C(=O)Nc1ncccc1[O-])C(F)F ZINC000335509574 386642828 /nfs/dbraw/zinc/64/28/28/386642828.db2.gz MOOFWHUFARTDOF-UHFFFAOYSA-N -1 3 230.214 2.017 20 0 BEADHM CCc1cc(C(=O)NN2CCCCC2)ccc1[O-] ZINC000292345880 386653377 /nfs/dbraw/zinc/65/33/77/386653377.db2.gz XYQNEURSRWCPTP-UHFFFAOYSA-N -1 3 248.326 2.085 20 0 BEADHM O=C(C=C(C1CC1)C1CC1)Nc1ncccc1[O-] ZINC000268575994 386666168 /nfs/dbraw/zinc/66/61/68/386666168.db2.gz LKEYUMKQSBCPIJ-UHFFFAOYSA-N -1 3 244.294 2.472 20 0 BEADHM CC1=C[C@H](C)CN(Cc2ncccc2[O-])C1 ZINC000520460057 386681397 /nfs/dbraw/zinc/68/13/97/386681397.db2.gz VLAKWYYUYZWJFI-JTQLQIEISA-N -1 3 218.300 2.185 20 0 BEADHM CC[C@H]1CCN1Cc1nc(C)ccc1[O-] ZINC000292849627 386736399 /nfs/dbraw/zinc/73/63/99/386736399.db2.gz TVYWCDACZVUDRN-JTQLQIEISA-N -1 3 206.289 2.080 20 0 BEADHM CC[C@@H](C)CON=C([O-])Nc1c(C)noc1C ZINC000292946655 386754400 /nfs/dbraw/zinc/75/44/00/386754400.db2.gz NVSXLXANMLWKGK-SSDOTTSWSA-N -1 3 241.291 2.391 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Nc1c(C)noc1C ZINC000292946655 386754405 /nfs/dbraw/zinc/75/44/05/386754405.db2.gz NVSXLXANMLWKGK-SSDOTTSWSA-N -1 3 241.291 2.391 20 0 BEADHM CSCCO[N-]C(=O)C(C)=C1CCCC1 ZINC000280049836 386773223 /nfs/dbraw/zinc/77/32/23/386773223.db2.gz PXTKQGHTLYNSGM-UHFFFAOYSA-N -1 3 229.345 2.288 20 0 BEADHM CSCCO[N-]C(=O)/C=C/c1ccc(C)o1 ZINC000280095778 386779030 /nfs/dbraw/zinc/77/90/30/386779030.db2.gz UFQHJJXVRGYVBP-AATRIKPKSA-N -1 3 241.312 2.012 20 0 BEADHM O=C(CCc1ccccc1)[N-]OCC1CC1 ZINC000293696584 386864882 /nfs/dbraw/zinc/86/48/82/386864882.db2.gz CUEWHNZGXWNZIX-UHFFFAOYSA-N -1 3 219.284 2.077 20 0 BEADHM CC[C@@H](C)CONC(=O)c1cccc(C)c1[O-] ZINC000293716401 386865543 /nfs/dbraw/zinc/86/55/43/386865543.db2.gz MFFWRZMFIWXBEC-SECBINFHSA-N -1 3 237.299 2.408 20 0 BEADHM CC1(C(=O)NCc2ncccc2[O-])CCCCC1 ZINC000335747496 386870771 /nfs/dbraw/zinc/87/07/71/386870771.db2.gz HRMDBJDLCSHHSJ-UHFFFAOYSA-N -1 3 248.326 2.374 20 0 BEADHM Cc1ccsc1CNCc1ncccc1[O-] ZINC000336744705 386877468 /nfs/dbraw/zinc/87/74/68/386877468.db2.gz VBNBIOWKTFAENW-UHFFFAOYSA-N -1 3 234.324 2.447 20 0 BEADHM Cc1ccc(/C=C/C(=O)[N-]OCC2CC2)o1 ZINC000293813817 386884878 /nfs/dbraw/zinc/88/48/78/386884878.db2.gz QWOYOWZWJOMBCW-VOTSOKGWSA-N -1 3 221.256 2.059 20 0 BEADHM CC[C@H]1CCN1C(=O)c1ccc(OC)cc1[O-] ZINC000293837449 386887391 /nfs/dbraw/zinc/88/73/91/386887391.db2.gz AZIDKCYBFCYCCD-VIFPVBQESA-N -1 3 235.283 2.025 20 0 BEADHM O=C(Nc1cccc([O-])c1F)c1cc[nH]c1 ZINC000335767220 386909450 /nfs/dbraw/zinc/90/94/50/386909450.db2.gz IGADLWIOYPEFRT-UHFFFAOYSA-N -1 3 220.203 2.112 20 0 BEADHM CCSc1cccc(NC(=O)c2nc[n-]n2)c1 ZINC000358505302 386969094 /nfs/dbraw/zinc/96/90/94/386969094.db2.gz FDAMAXAYOPZOSH-UHFFFAOYSA-N -1 3 248.311 2.169 20 0 BEADHM CCc1ccc(CC)c(NC(=O)c2nc[n-]n2)c1 ZINC000358583219 386984338 /nfs/dbraw/zinc/98/43/38/386984338.db2.gz HYCBRBRQCZHLSH-UHFFFAOYSA-N -1 3 244.298 2.182 20 0 BEADHM Cn1c(=O)[n-]nc1SC[C@H]1CCCC1(F)F ZINC000334969738 387052001 /nfs/dbraw/zinc/05/20/01/387052001.db2.gz ZARUPWPURRKNKO-ZCFIWIBFSA-N -1 3 249.286 2.048 20 0 BEADHM C[C@@H]1C[C@H]1CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000352308635 387064428 /nfs/dbraw/zinc/06/44/28/387064428.db2.gz YNCAYNDFUWEGAE-SFYZADRCSA-N -1 3 246.270 2.049 20 0 BEADHM C[C@@H]1C[C@H]1CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000352308635 387064430 /nfs/dbraw/zinc/06/44/30/387064430.db2.gz YNCAYNDFUWEGAE-SFYZADRCSA-N -1 3 246.270 2.049 20 0 BEADHM C[C@@H]1C[C@H]1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000352308635 387064433 /nfs/dbraw/zinc/06/44/33/387064433.db2.gz YNCAYNDFUWEGAE-SFYZADRCSA-N -1 3 246.270 2.049 20 0 BEADHM Cc1cc(C)c(C(=O)Nc2nc(C)ccc2[O-])[nH]1 ZINC000334984085 387071655 /nfs/dbraw/zinc/07/16/55/387071655.db2.gz YXYJCCSOFKZHGM-UHFFFAOYSA-N -1 3 245.282 2.293 20 0 BEADHM CSCCN(C)Cc1cc([O-])cc(F)c1 ZINC000186233550 387083965 /nfs/dbraw/zinc/08/39/65/387083965.db2.gz ZNFDDUXOYBFBHD-UHFFFAOYSA-N -1 3 229.320 2.326 20 0 BEADHM CN(Cc1ccc(C(=O)[O-])o1)[C@H]1CC1(C)C ZINC000571691955 387144710 /nfs/dbraw/zinc/14/47/10/387144710.db2.gz VNCSWJQPQQQHLY-JTQLQIEISA-N -1 3 223.272 2.208 20 0 BEADHM CCC[C@@H]1C[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000359846494 387176118 /nfs/dbraw/zinc/17/61/18/387176118.db2.gz KSVSKUPVBXTCHN-BDAKNGLRSA-N -1 3 220.272 2.162 20 0 BEADHM CCCC(=O)N1CCCc2cccc([O-])c21 ZINC000063063792 387244522 /nfs/dbraw/zinc/24/45/22/387244522.db2.gz ZKIWJMBVXXYUAG-UHFFFAOYSA-N -1 3 219.284 2.472 20 0 BEADHM Cc1ccc(NC(=O)C2CCC(=O)CC2)c([O-])c1 ZINC000336480563 387310358 /nfs/dbraw/zinc/31/03/58/387310358.db2.gz YDEWZLOWTSMODP-UHFFFAOYSA-N -1 3 247.294 2.398 20 0 BEADHM C[C@H](CF)NCc1cccc([O-])c1Cl ZINC000292963259 387337846 /nfs/dbraw/zinc/33/78/46/387337846.db2.gz LPTCBDBIPZIRQJ-SSDOTTSWSA-N -1 3 217.671 2.493 20 0 BEADHM C[C@H]([N-]C(=O)[C@H](C)C(F)(F)F)C(F)(F)F ZINC000360696008 387338174 /nfs/dbraw/zinc/33/81/74/387338174.db2.gz QWCAPQLKOKASCJ-IMJSIDKUSA-N -1 3 237.143 2.252 20 0 BEADHM COc1ccc(C(=O)N2[C@H](C)CC[C@@H]2C)c([O-])c1 ZINC000162307541 387340004 /nfs/dbraw/zinc/34/00/04/387340004.db2.gz LORCAKUIMBMDIB-AOOOYVTPSA-N -1 3 249.310 2.414 20 0 BEADHM COc1ccc(C(=O)N2[C@H](C)CC[C@H]2C)c([O-])c1 ZINC000162307799 387340350 /nfs/dbraw/zinc/34/03/50/387340350.db2.gz LORCAKUIMBMDIB-NXEZZACHSA-N -1 3 249.310 2.414 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@H]2CC[C@@H]2C)c1 ZINC000515490897 387388308 /nfs/dbraw/zinc/38/83/08/387388308.db2.gz VCMSMANIYXZJNV-CABZTGNLSA-N -1 3 233.311 2.483 20 0 BEADHM CSC1(C(=O)Nc2ccc([O-])cc2F)CC1 ZINC000336569341 387393794 /nfs/dbraw/zinc/39/37/94/387393794.db2.gz VGBLNXNZZINNIK-UHFFFAOYSA-N -1 3 241.287 2.365 20 0 BEADHM COC(C)(C)CNCc1c(F)ccc([O-])c1F ZINC000352647522 387405240 /nfs/dbraw/zinc/40/52/40/387405240.db2.gz STATVKVTAUAUEA-UHFFFAOYSA-N -1 3 245.269 2.185 20 0 BEADHM Cc1cc(=O)[nH]c(C(=O)Nc2ccccc2[O-])c1 ZINC000431400450 387708445 /nfs/dbraw/zinc/70/84/45/387708445.db2.gz KXFZXVAJPPZATM-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM O=C(CCc1cncs1)Nc1ccccc1[O-] ZINC000432653884 387808638 /nfs/dbraw/zinc/80/86/38/387808638.db2.gz HNVYQOSRNYMTGO-UHFFFAOYSA-N -1 3 248.307 2.420 20 0 BEADHM CCC1(NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000452456703 387829110 /nfs/dbraw/zinc/82/91/10/387829110.db2.gz CFOKRFLVEOOVDP-UHFFFAOYSA-N -1 3 237.274 2.133 20 0 BEADHM COc1cc(C(=O)N[C@@H](C)CC2CC2)ccc1[O-] ZINC000442658644 387815301 /nfs/dbraw/zinc/81/53/01/387815301.db2.gz XBOCJVYPXQTQTJ-VIFPVBQESA-N -1 3 249.310 2.319 20 0 BEADHM O=C([N-]O[C@H]1CCCCO1)[C@H]1CCCC12CC2 ZINC000528328833 387893779 /nfs/dbraw/zinc/89/37/79/387893779.db2.gz FQUNJQBEOFXLHS-MNOVXSKESA-N -1 3 239.315 2.141 20 0 BEADHM CC[C@@H](NC(=O)c1ccc([O-])c(C)c1)C(F)F ZINC000452666579 387885665 /nfs/dbraw/zinc/88/56/65/387885665.db2.gz FQKYQVYKVLAPSR-SECBINFHSA-N -1 3 243.253 2.474 20 0 BEADHM Cc1cc(C(=O)N[C@@H](C)C(C)(F)F)ccc1[O-] ZINC000335657181 177797987 /nfs/dbraw/zinc/79/79/87/177797987.db2.gz NAMZAFCURVENHE-QMMMGPOBSA-N -1 3 243.253 2.474 20 0 BEADHM CCCn1c(=O)[n-]nc1SC[C@H](F)CC ZINC000440567928 388055358 /nfs/dbraw/zinc/05/53/58/388055358.db2.gz IYKPUMQBULWCCS-SSDOTTSWSA-N -1 3 233.312 2.234 20 0 BEADHM O=C([O-])[C@@H]1CCCN1Cc1coc2ccccc12 ZINC000084073478 388070078 /nfs/dbraw/zinc/07/00/78/388070078.db2.gz WDKVCONCNRZLAW-LBPRGKRZSA-N -1 3 245.278 2.482 20 0 BEADHM Cc1cccc(C(=O)Nc2ccc([O-])cc2F)n1 ZINC000085203841 388085354 /nfs/dbraw/zinc/08/53/54/388085354.db2.gz BMZPNUUOSQLNLN-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM C[C@@H](C1CC1)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000179426272 256513502 /nfs/dbraw/zinc/51/35/02/256513502.db2.gz CXZSBTOHORYPDB-YVGDHZEHSA-N -1 3 246.310 2.057 20 0 BEADHM CCCCCCNC(=O)/C=C/c1cncc([O-])c1 ZINC000179407982 256513742 /nfs/dbraw/zinc/51/37/42/256513742.db2.gz AMNMLLDDKLIRCA-VOTSOKGWSA-N -1 3 248.326 2.497 20 0 BEADHM CC(C)(C)/C=C\C(=O)NCc1ncccc1[O-] ZINC000491964598 388329922 /nfs/dbraw/zinc/32/99/22/388329922.db2.gz NVBPULVDXUVOQW-SREVYHEPSA-N -1 3 234.299 2.006 20 0 BEADHM CC(C)[C@@H](C)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000492391679 388343276 /nfs/dbraw/zinc/34/32/76/388343276.db2.gz BKJVDOLVLFRKKY-ISALQUGTSA-N -1 3 248.326 2.303 20 0 BEADHM CC(C)=CCCNC(=O)c1c([O-])cccc1O ZINC000276816430 388351038 /nfs/dbraw/zinc/35/10/38/388351038.db2.gz ZPSLNWROARLGSG-UHFFFAOYSA-N -1 3 235.283 2.184 20 0 BEADHM C[C@H]1CCC[C@@H]1CNC(=O)c1ccc(O)cc1[O-] ZINC000235575849 388372093 /nfs/dbraw/zinc/37/20/93/388372093.db2.gz PXPKQNWVLWVGCC-VHSXEESVSA-N -1 3 249.310 2.264 20 0 BEADHM CN(CCC(F)(F)F)Cc1ncccc1[O-] ZINC000572763781 388374402 /nfs/dbraw/zinc/37/44/02/388374402.db2.gz ZEVTWTIDMMQNCJ-UHFFFAOYSA-N -1 3 234.221 2.171 20 0 BEADHM Cc1csc(C(=O)[N-]c2nc[nH]n2)c1Cl ZINC000235968119 388375811 /nfs/dbraw/zinc/37/58/11/388375811.db2.gz FVWYOFXXWXXOPE-UHFFFAOYSA-N -1 3 242.691 2.080 20 0 BEADHM Cc1ccc(C(=O)NCCC(C)(F)F)c([O-])c1 ZINC000294152713 388395761 /nfs/dbraw/zinc/39/57/61/388395761.db2.gz HNWXQQDIVKXZSO-UHFFFAOYSA-N -1 3 243.253 2.476 20 0 BEADHM O=C(/C=C\c1ccncc1)Nc1ccccc1[O-] ZINC000492282038 388340058 /nfs/dbraw/zinc/34/00/58/388340058.db2.gz DVSXWRCJWPNVBP-WAYWQWQTSA-N -1 3 240.262 2.439 20 0 BEADHM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(O)cc1[O-] ZINC000335470583 388451087 /nfs/dbraw/zinc/45/10/87/388451087.db2.gz SGCCTGRIBWXFGV-UWVGGRQHSA-N -1 3 249.310 2.358 20 0 BEADHM O=C(c1ccccc1[O-])N1CC[C@@H](C2CC2)C1 ZINC000335704503 388454325 /nfs/dbraw/zinc/45/43/25/388454325.db2.gz DLYANNNLKPRRHK-LLVKDONJSA-N -1 3 231.295 2.264 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C(C)(C)C ZINC000649233536 388464146 /nfs/dbraw/zinc/46/41/46/388464146.db2.gz SFCUHBMOEDHXDX-UHFFFAOYSA-N -1 3 223.320 2.248 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CC12CCC2 ZINC000649231142 388464290 /nfs/dbraw/zinc/46/42/90/388464290.db2.gz JJEPJFRJYORRPR-SNVBAGLBSA-N -1 3 247.342 2.392 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccoc1 ZINC000649233539 388464349 /nfs/dbraw/zinc/46/43/49/388464349.db2.gz SHPIKRBQDKMTKF-UHFFFAOYSA-N -1 3 233.271 2.109 20 0 BEADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccncc1[O-] ZINC000648843110 388466346 /nfs/dbraw/zinc/46/63/46/388466346.db2.gz XHVGALVBQRUBBQ-VHSXEESVSA-N -1 3 248.326 2.220 20 0 BEADHM O=c1[n-]c(-c2ccco2)nc2cc(F)ccc12 ZINC000193923214 388470345 /nfs/dbraw/zinc/47/03/45/388470345.db2.gz LCVXROSTRWOZTF-UHFFFAOYSA-N -1 3 230.198 2.322 20 0 BEADHM Cc1nsc(NC(=O)c2ccc(C)cc2[O-])n1 ZINC000135390643 388494379 /nfs/dbraw/zinc/49/43/79/388494379.db2.gz KTUJGSLEYDSGDX-UHFFFAOYSA-N -1 3 249.295 2.113 20 0 BEADHM CC1(C)CC[C@@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000219769793 388597692 /nfs/dbraw/zinc/59/76/92/388597692.db2.gz WSSBUIYABODSEM-SECBINFHSA-N -1 3 249.310 2.406 20 0 BEADHM O=C([O-])[C@@H]1c2ccoc2CCN1[C@H]1C=CCCC1 ZINC000530166124 388617794 /nfs/dbraw/zinc/61/77/94/388617794.db2.gz KHYNLFQCENQPRB-GWCFXTLKSA-N -1 3 247.294 2.372 20 0 BEADHM O=C([O-])[C@@H]1c2ccoc2CCN1CCCCF ZINC000530164999 388617823 /nfs/dbraw/zinc/61/78/23/388617823.db2.gz CTBBMJUZWXSLHT-NSHDSACASA-N -1 3 241.262 2.013 20 0 BEADHM O=C(Cc1cccs1)Nc1ncccc1[O-] ZINC000082260170 388611203 /nfs/dbraw/zinc/61/12/03/388611203.db2.gz DHSDQEIXHUOULF-UHFFFAOYSA-N -1 3 234.280 2.030 20 0 BEADHM C[C@H](C(=O)[O-])N1CCC[C@H]1c1cccs1 ZINC000261537134 388561971 /nfs/dbraw/zinc/56/19/71/388561971.db2.gz UYOXRVDPQBWPGL-BDAKNGLRSA-N -1 3 225.313 2.358 20 0 BEADHM CO[N-]C(=O)/C=C\c1ccc(Cl)s1 ZINC000214556821 388568416 /nfs/dbraw/zinc/56/84/16/388568416.db2.gz QVFBFBZIVGOKHS-HYXAFXHYSA-N -1 3 217.677 2.092 20 0 BEADHM CCOCCO[N-]C(=O)/C=C/c1ccccc1C ZINC000184842573 388582922 /nfs/dbraw/zinc/58/29/22/388582922.db2.gz LRANMXAUJZVRFB-CMDGGOBGSA-N -1 3 249.310 2.093 20 0 BEADHM C[C@@H](c1cnccn1)[S@](=O)c1ccc([O-])cc1 ZINC000184831222 388583115 /nfs/dbraw/zinc/58/31/15/388583115.db2.gz NZQBNXPMFWZSQC-XYZCENFISA-N -1 3 248.307 2.051 20 0 BEADHM C[C@H](O)CCCNCc1cccc([O-])c1Cl ZINC000328373937 388641983 /nfs/dbraw/zinc/64/19/83/388641983.db2.gz XBOHHBFZDDOHEI-VIFPVBQESA-N -1 3 243.734 2.296 20 0 BEADHM C[C@H]1C[C@@H]1c1ccc(CNCCCC(=O)[O-])o1 ZINC000037417556 388643763 /nfs/dbraw/zinc/64/37/63/388643763.db2.gz GTFLMHVEKONCGZ-ONGXEEELSA-N -1 3 237.299 2.357 20 0 BEADHM C[C@H]1CCCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000194462631 388734198 /nfs/dbraw/zinc/73/41/98/388734198.db2.gz XYJCZXFUITVVET-JTQLQIEISA-N -1 3 249.310 2.360 20 0 BEADHM C[C@@H](C(=O)N=c1cc2ccccn2[n-]1)C(C)(C)C ZINC000552993415 388744070 /nfs/dbraw/zinc/74/40/70/388744070.db2.gz ZPTAKPYXAFQCIU-JTQLQIEISA-N -1 3 245.326 2.377 20 0 BEADHM CCc1ccc([O-])c(C(=O)NCC2CCC2)c1 ZINC000522138322 388702266 /nfs/dbraw/zinc/70/22/66/388702266.db2.gz GUJWISOEKGPYFL-UHFFFAOYSA-N -1 3 233.311 2.485 20 0 BEADHM COc1cccc(C(=O)NC[C@@H]2CC2(C)C)c1[O-] ZINC000226259991 388712859 /nfs/dbraw/zinc/71/28/59/388712859.db2.gz LDOMLNZMHFXTPY-VIFPVBQESA-N -1 3 249.310 2.177 20 0 BEADHM Cc1ccc(CN(C)CC2(CC(=O)[O-])CC2)o1 ZINC000088255958 388723867 /nfs/dbraw/zinc/72/38/67/388723867.db2.gz JKBMUSHQLNJJGV-UHFFFAOYSA-N -1 3 237.299 2.275 20 0 BEADHM O=C([O-])CCN1CC=C(c2ccc(F)cc2)CC1 ZINC000552625429 388733361 /nfs/dbraw/zinc/73/33/61/388733361.db2.gz QYEFJROVMXYMEN-UHFFFAOYSA-N -1 3 249.285 2.390 20 0 BEADHM Cc1cc(C(=O)[N-]c2nc(C)ns2)oc1C ZINC000128434302 388759845 /nfs/dbraw/zinc/75/98/45/388759845.db2.gz GLBTZJXIJHNECS-UHFFFAOYSA-N -1 3 237.284 2.309 20 0 BEADHM CCCCCC(=O)N=c1cc2ccccn2[n-]1 ZINC000553324987 388763293 /nfs/dbraw/zinc/76/32/93/388763293.db2.gz VAWRBTMQNBFFQY-UHFFFAOYSA-N -1 3 231.299 2.275 20 0 BEADHM CCc1cccc(C(=O)N2CC[C@@H](C)C2)c1[O-] ZINC000539881465 388787609 /nfs/dbraw/zinc/78/76/09/388787609.db2.gz ATMFCTROAZGCAO-SNVBAGLBSA-N -1 3 233.311 2.437 20 0 BEADHM CCc1ccc([O-])c(C(=O)NCC(C)C)c1 ZINC000523322846 388827240 /nfs/dbraw/zinc/82/72/40/388827240.db2.gz ROILGUPMFTWCKC-UHFFFAOYSA-N -1 3 221.300 2.340 20 0 BEADHM C[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000129290164 388830050 /nfs/dbraw/zinc/83/00/50/388830050.db2.gz ZRDIPVKBUZTZKG-VHSXEESVSA-N -1 3 219.284 2.311 20 0 BEADHM O=C(Nc1cccc([O-])c1F)C1CC=CC1 ZINC000129362904 388834720 /nfs/dbraw/zinc/83/47/20/388834720.db2.gz JVHVBYHCPDVDSX-UHFFFAOYSA-N -1 3 221.231 2.436 20 0 BEADHM C[C@@H](CC(F)(F)F)NC(=O)c1ccccc1[O-] ZINC000231752692 388841877 /nfs/dbraw/zinc/84/18/77/388841877.db2.gz LRSOYPHKKQECCD-ZETCQYMHSA-N -1 3 247.216 2.463 20 0 BEADHM CC1CCN(C(=O)/C=C\c2cncc([O-])c2)CC1 ZINC000254953200 388868441 /nfs/dbraw/zinc/86/84/41/388868441.db2.gz DTLSLQDHWNFHNP-IHWYPQMZSA-N -1 3 246.310 2.059 20 0 BEADHM C[C@H](NC(=O)c1cccc([O-])c1)[C@@H]1CCCCO1 ZINC000273048019 389038045 /nfs/dbraw/zinc/03/80/45/389038045.db2.gz WCZPFZQCPYHTHD-GWCFXTLKSA-N -1 3 249.310 2.080 20 0 BEADHM COc1ccc(/C=C\C(=O)[N-]OC2CCC2)cc1 ZINC000493484742 533248890 /nfs/dbraw/zinc/24/88/90/533248890.db2.gz BFGNFKHFVAUXPL-YFHOEESVSA-N -1 3 247.294 2.309 20 0 BEADHM Cc1ccc(C(=O)NCCc2ccco2)c([O-])c1 ZINC000042209171 322836785 /nfs/dbraw/zinc/83/67/85/322836785.db2.gz SVBCSZKZCHFTHZ-UHFFFAOYSA-N -1 3 245.278 2.266 20 0 BEADHM CC(C)C(=O)N1CCCc2cccc([O-])c21 ZINC000063063732 132388595 /nfs/dbraw/zinc/38/85/95/132388595.db2.gz XFHXFYWFEZIOGO-UHFFFAOYSA-N -1 3 219.284 2.327 20 0 BEADHM COC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC000334746242 133730406 /nfs/dbraw/zinc/73/04/06/133730406.db2.gz BBYYUKNRVVQIAB-UHFFFAOYSA-N -1 3 249.310 2.080 20 0 BEADHM CCC1CN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000335109810 133776577 /nfs/dbraw/zinc/77/65/77/133776577.db2.gz OLVQHNLUIRAEOA-UHFFFAOYSA-N -1 3 219.284 2.183 20 0 BEADHM C[C@@H]1CC[C@@H](CNC(=O)c2csc(=O)[n-]2)C1 ZINC000335780093 133904642 /nfs/dbraw/zinc/90/46/42/133904642.db2.gz LKKCJNKDZBWNCT-HTQZYQBOSA-N -1 3 240.328 2.015 20 0 BEADHM Cc1cc[nH]c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000335852558 133938385 /nfs/dbraw/zinc/93/83/85/133938385.db2.gz ZHLWAUSAAPDBMP-UHFFFAOYSA-N -1 3 248.257 2.098 20 0 BEADHM Cc1ccc([O-])c(CN2CC[C@](C)(F)C2)n1 ZINC000335947643 134020822 /nfs/dbraw/zinc/02/08/22/134020822.db2.gz NLRVPVXKCZFFRI-LBPRGKRZSA-N -1 3 224.279 2.030 20 0 BEADHM CN(Cc1ccc[nH]1)Cc1cc([O-])cc(F)c1 ZINC000351989042 134026673 /nfs/dbraw/zinc/02/66/73/134026673.db2.gz PFDRJEXYHZENMM-UHFFFAOYSA-N -1 3 234.274 2.491 20 0 BEADHM Cc1[n-][nH]c(=NC(=O)C2CC2)c1-c1ccccc1 ZINC000335967753 134028718 /nfs/dbraw/zinc/02/87/18/134028718.db2.gz UMLUJLGVNLBDBC-UHFFFAOYSA-N -1 3 241.294 2.156 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C[C@H]2C[C@@H]2C)n1 ZINC000336016456 134053256 /nfs/dbraw/zinc/05/32/56/134053256.db2.gz ZTYGZZNRSNZZGD-IONNQARKSA-N -1 3 220.272 2.080 20 0 BEADHM Cc1cc(C(=O)NCC(C)C)ccc1[O-] ZINC000226714421 134370680 /nfs/dbraw/zinc/37/06/80/134370680.db2.gz HQAVTLSUMXNQPB-UHFFFAOYSA-N -1 3 207.273 2.086 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCSC1 ZINC000334172492 135331039 /nfs/dbraw/zinc/33/10/39/135331039.db2.gz BNOFPNZKPZLHKR-ZETCQYMHSA-N -1 3 241.287 2.223 20 0 BEADHM CC1CN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000334301236 135346711 /nfs/dbraw/zinc/34/67/11/135346711.db2.gz WZJHUZISFUVTBU-UHFFFAOYSA-N -1 3 239.702 2.066 20 0 BEADHM CCCN(CC(=O)[O-])Cc1cccc(C)c1F ZINC000263329103 135347150 /nfs/dbraw/zinc/34/71/50/135347150.db2.gz LLTYGEBGRNTLQP-UHFFFAOYSA-N -1 3 239.290 2.431 20 0 BEADHM CC[C@H]1CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263432266 135353672 /nfs/dbraw/zinc/35/36/72/135353672.db2.gz SOCOQNDKTZOEBK-LBPRGKRZSA-N -1 3 219.284 2.369 20 0 BEADHM CC1(C)CCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000334621136 135793967 /nfs/dbraw/zinc/79/39/67/135793967.db2.gz IACYOWONZBPFCJ-JTQLQIEISA-N -1 3 248.326 2.230 20 0 BEADHM C[C@H]1CC(C)(C)CN1C(=O)c1c([O-])cccc1O ZINC000335219442 135959958 /nfs/dbraw/zinc/95/99/58/135959958.db2.gz AAJZUUUOJJQZPA-VIFPVBQESA-N -1 3 249.310 2.358 20 0 BEADHM C[C@H](NCc1ncccc1[O-])c1ccccn1 ZINC000347968118 136017735 /nfs/dbraw/zinc/01/77/35/136017735.db2.gz UCJLUZQHIRGQDA-JTQLQIEISA-N -1 3 229.283 2.033 20 0 BEADHM O=C(NCCCc1ccco1)c1ccccc1[O-] ZINC001646604794 1172747551 /nfs/dbraw/zinc/74/75/51/1172747551.db2.gz ISEICFSWAIKUQE-UHFFFAOYSA-N -1 3 245.278 2.348 20 0 BEADHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000188594121 397828099 /nfs/dbraw/zinc/82/80/99/397828099.db2.gz BJLXUGLRVFXZKT-NXEZZACHSA-N -1 3 243.328 2.137 20 0 BEADHM [O-]c1cccnc1CSc1ccccn1 ZINC000584329637 397815205 /nfs/dbraw/zinc/81/52/05/397815205.db2.gz ZIMLOXCOHUXAJU-UHFFFAOYSA-N -1 3 218.281 2.475 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2C2CC2)n1 ZINC000361331135 397976772 /nfs/dbraw/zinc/97/67/72/397976772.db2.gz MKJMOIMRWMQXNW-GFCCVEGCSA-N -1 3 247.342 2.119 20 0 BEADHM CO[C@@H]1CCN(C(=O)c2cccc([O-])c2)[C@@H](C)C1 ZINC000281760793 398064128 /nfs/dbraw/zinc/06/41/28/398064128.db2.gz LKFMIVJGEBPQSG-GXFFZTMASA-N -1 3 249.310 2.032 20 0 BEADHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccccn1 ZINC000035122149 398079823 /nfs/dbraw/zinc/07/98/23/398079823.db2.gz FIUCDIXITDOCPU-SNVBAGLBSA-N -1 3 242.278 2.278 20 0 BEADHM CCc1cc(C(=O)NC[C@H]2C[C@H]2C)ccc1[O-] ZINC000291559893 398094709 /nfs/dbraw/zinc/09/47/09/398094709.db2.gz XSTLVWHGPZSXSI-BXKDBHETSA-N -1 3 233.311 2.340 20 0 BEADHM CCC1CN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000335113437 398127454 /nfs/dbraw/zinc/12/74/54/398127454.db2.gz BDSADIXSNTYMIG-UHFFFAOYSA-N -1 3 233.311 2.491 20 0 BEADHM CCc1ccc(C(=O)NC/C=C\Cl)c([O-])c1 ZINC001648416730 1172831978 /nfs/dbraw/zinc/83/19/78/1172831978.db2.gz LATHIYBMNXVPRX-UTCJRWHESA-N -1 3 239.702 2.437 20 0 BEADHM C[C@H]1CCCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC000094762804 487560014 /nfs/dbraw/zinc/56/00/14/487560014.db2.gz RTMNOZDXZBDZLL-NSHDSACASA-N -1 3 248.326 2.402 20 0 BEADHM CCC(CC)C(=O)Nc1cccc2n[n-]nc21 ZINC000074852754 487585032 /nfs/dbraw/zinc/58/50/32/487585032.db2.gz WDPWBVFOAXNLFF-UHFFFAOYSA-N -1 3 232.287 2.333 20 0 BEADHM CC(C)(NC(=O)c1ccccc1[O-])C(F)(F)F ZINC000393858694 487587438 /nfs/dbraw/zinc/58/74/38/487587438.db2.gz QXPFLFKRSKGJQI-UHFFFAOYSA-N -1 3 247.216 2.463 20 0 BEADHM CC(C)O[N-]C(=O)Nc1ccc(F)c(F)c1 ZINC000296192756 167277341 /nfs/dbraw/zinc/27/73/41/167277341.db2.gz MUUKHMQXRAQWBS-UHFFFAOYSA-N -1 3 230.214 2.426 20 0 BEADHM O=C([O-])CCCCNCc1ccccc1F ZINC000232441792 487594471 /nfs/dbraw/zinc/59/44/71/487594471.db2.gz VLYQYRCCFACYGT-UHFFFAOYSA-N -1 3 225.263 2.170 20 0 BEADHM C[C@@H](NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000228247124 487600593 /nfs/dbraw/zinc/60/05/93/487600593.db2.gz IMHNDRWUYIGBCV-ZCFIWIBFSA-N -1 3 231.654 2.042 20 0 BEADHM O=C([O-])[C@@H]1CN(CCCF)Cc2ccccc21 ZINC000161056303 487601198 /nfs/dbraw/zinc/60/11/98/487601198.db2.gz ISDMYVDMQRKOOO-GFCCVEGCSA-N -1 3 237.274 2.030 20 0 BEADHM CCO[N-]C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116169449 410264868 /nfs/dbraw/zinc/26/48/68/410264868.db2.gz IFYMIHHEPVQLAS-JGVFFNPUSA-N -1 3 241.237 2.136 20 0 BEADHM CCO[N-]C(=O)/C=C\c1nc2ccccc2s1 ZINC000255369835 322926697 /nfs/dbraw/zinc/92/66/97/322926697.db2.gz AAJYHXGSOULRMQ-FPLPWBNLSA-N -1 3 248.307 2.377 20 0 BEADHM CC(C)OCCC(=O)Nc1ccccc1[O-] ZINC000298359410 167200934 /nfs/dbraw/zinc/20/09/34/167200934.db2.gz YOAPPFJTBCDOPQ-UHFFFAOYSA-N -1 3 223.272 2.146 20 0 BEADHM CC(C)OCc1nc(-c2ccc([O-])cc2)no1 ZINC000122305016 167270646 /nfs/dbraw/zinc/27/06/46/167270646.db2.gz DCKCHXBECJMNCD-UHFFFAOYSA-N -1 3 234.255 2.367 20 0 BEADHM CC(C)ON=C([O-])Nc1ccc2c(c1)CCO2 ZINC000296507801 167275871 /nfs/dbraw/zinc/27/58/71/167275871.db2.gz ZDISJUOAVHAXJO-UHFFFAOYSA-N -1 3 236.271 2.083 20 0 BEADHM CC(C)O[N-]C(=O)Nc1ccc2c(c1)CCO2 ZINC000296507801 167275873 /nfs/dbraw/zinc/27/58/73/167275873.db2.gz ZDISJUOAVHAXJO-UHFFFAOYSA-N -1 3 236.271 2.083 20 0 BEADHM CC(C)ON=C([O-])Nc1ccc(F)c(F)c1 ZINC000296192756 167277338 /nfs/dbraw/zinc/27/73/38/167277338.db2.gz MUUKHMQXRAQWBS-UHFFFAOYSA-N -1 3 230.214 2.426 20 0 BEADHM CC(C)ONC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000295758274 167278233 /nfs/dbraw/zinc/27/82/33/167278233.db2.gz VMYHQXQLEMMAIM-UHFFFAOYSA-N -1 3 249.310 2.341 20 0 BEADHM CC(C)ONC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000295446940 167278283 /nfs/dbraw/zinc/27/82/83/167278283.db2.gz AQZVDZIPDLTKAP-UHFFFAOYSA-N -1 3 249.310 2.341 20 0 BEADHM CC(C)O[N-]C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000295526847 167279029 /nfs/dbraw/zinc/27/90/29/167279029.db2.gz JEBXMXRMNJVNIH-DZGCQCFKSA-N -1 3 245.322 2.347 20 0 BEADHM CC(C)[C@]1(C)C[C@H]1C(=O)[N-]OC/C=C/Cl ZINC000291434972 167542067 /nfs/dbraw/zinc/54/20/67/167542067.db2.gz ARLSTCCZDSZQOT-JOEPOWSHSA-N -1 3 231.723 2.469 20 0 BEADHM C[C@H](CNCc1ccc([C@@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC000656095670 411176849 /nfs/dbraw/zinc/17/68/49/411176849.db2.gz ORHDAZFCHIGKCP-IQJOONFLSA-N -1 3 237.299 2.213 20 0 BEADHM O=C(c1cccc([O-])c1)N1CCCC(F)(F)C1 ZINC000404749734 411184677 /nfs/dbraw/zinc/18/46/77/411184677.db2.gz VLAGLVNNKTYRQV-UHFFFAOYSA-N -1 3 241.237 2.264 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C)CC2(C)C)o1 ZINC000660049916 411193542 /nfs/dbraw/zinc/19/35/42/411193542.db2.gz YXKCZNJOMHNTIJ-NSHDSACASA-N -1 3 243.328 2.055 20 0 BEADHM C[C@H](OCC1CC1)C(=O)Nc1ccccc1[O-] ZINC000049137021 411226082 /nfs/dbraw/zinc/22/60/82/411226082.db2.gz ZXDQYKJVAMHYFE-VIFPVBQESA-N -1 3 235.283 2.146 20 0 BEADHM CCN(CCCCC(=O)[O-])Cc1ccoc1 ZINC000652408237 411231223 /nfs/dbraw/zinc/23/12/23/411231223.db2.gz OPQVHWFMBLPWRU-UHFFFAOYSA-N -1 3 225.288 2.356 20 0 BEADHM C[C@@H]1CC(C)(C)CN1Cc1ncccc1C(=O)[O-] ZINC000652418672 411236761 /nfs/dbraw/zinc/23/67/61/411236761.db2.gz GLOFUUFHEAGDCB-SNVBAGLBSA-N -1 3 248.326 2.400 20 0 BEADHM C[C@H]1SCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000309849783 411276762 /nfs/dbraw/zinc/27/67/62/411276762.db2.gz WWOVHNKSYWIXRQ-LDYMZIIASA-N -1 3 237.324 2.016 20 0 BEADHM O=C([O-])c1cc(F)ccc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000659800327 411290477 /nfs/dbraw/zinc/29/04/77/411290477.db2.gz RHBUUBZITMQOIT-MWLCHTKSSA-N -1 3 249.285 2.366 20 0 BEADHM Cc1ncccc1CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000652488746 411257133 /nfs/dbraw/zinc/25/71/33/411257133.db2.gz HOSUZXJSARMLCV-JTQLQIEISA-N -1 3 248.326 2.075 20 0 BEADHM CC[C@@H]1CN(CCCCC(=O)[O-])[C@@H](CC)CO1 ZINC000403901212 411365085 /nfs/dbraw/zinc/36/50/85/411365085.db2.gz VMBVCVXDJDCHSO-NWDGAFQWSA-N -1 3 243.347 2.131 20 0 BEADHM CC[C@H]1CN(C(=O)c2cccc([O-])c2)[C@@H](C)CO1 ZINC000403898108 411365320 /nfs/dbraw/zinc/36/53/20/411365320.db2.gz UKIWXUZTFIQENT-GWCFXTLKSA-N -1 3 249.310 2.032 20 0 BEADHM CC1(NC(=O)c2ccccc2[O-])CCC1 ZINC000093246201 168060836 /nfs/dbraw/zinc/06/08/36/168060836.db2.gz KTBNUAWQDWVVOV-UHFFFAOYSA-N -1 3 205.257 2.065 20 0 BEADHM Cc1cccc(C(=O)N2CCC=C(C)C2)c1[O-] ZINC000230812803 168098073 /nfs/dbraw/zinc/09/80/73/168098073.db2.gz MRJVCLDWGOUGJJ-UHFFFAOYSA-N -1 3 231.295 2.493 20 0 BEADHM CC1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC000036926553 168184727 /nfs/dbraw/zinc/18/47/27/168184727.db2.gz HBJRQBDHUPSCLC-UHFFFAOYSA-N -1 3 223.272 2.210 20 0 BEADHM CCC(=CC(=O)[N-]O[C@H]1CCCCO1)CC ZINC000268301412 168193979 /nfs/dbraw/zinc/19/39/79/168193979.db2.gz XYYWXYFGSNRHGS-LBPRGKRZSA-N -1 3 227.304 2.307 20 0 BEADHM O=C(NC1CC2(CCC2)C1)c1ccccc1[O-] ZINC000652973938 411386124 /nfs/dbraw/zinc/38/61/24/411386124.db2.gz JKBZCMUOEHZKCL-UHFFFAOYSA-N -1 3 231.295 2.455 20 0 BEADHM CCC(C)(C)CC(=O)NCc1ncccc1[O-] ZINC000330993667 168274552 /nfs/dbraw/zinc/27/45/52/168274552.db2.gz BSCGXNNTXMYLOF-UHFFFAOYSA-N -1 3 236.315 2.230 20 0 BEADHM CCC(C)(C)NC(=O)c1ccc([O-])c(OC)c1 ZINC000272566429 168296161 /nfs/dbraw/zinc/29/61/61/168296161.db2.gz BCKQKUXODQBBEL-UHFFFAOYSA-N -1 3 237.299 2.319 20 0 BEADHM CCOC1CC(C(=O)Nc2ccccc2[O-])C1 ZINC000289163350 170322525 /nfs/dbraw/zinc/32/25/25/170322525.db2.gz WOEJFYZWSBUKGV-UHFFFAOYSA-N -1 3 235.283 2.146 20 0 BEADHM CN(Cc1ccc(C(=O)[O-])o1)C[C@H]1CC1(C)C ZINC000663316237 411623251 /nfs/dbraw/zinc/62/32/51/411623251.db2.gz CNWNCHOOIMGNLE-SECBINFHSA-N -1 3 237.299 2.456 20 0 BEADHM CN(Cc1ccoc1C(=O)[O-])C[C@@H]1CC1(C)C ZINC000663318273 411624209 /nfs/dbraw/zinc/62/42/09/411624209.db2.gz UZPVGSCHKPLHLL-JTQLQIEISA-N -1 3 237.299 2.456 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660930900 411681276 /nfs/dbraw/zinc/68/12/76/411681276.db2.gz LBAPUQOEIARFOK-WOPDTQHZSA-N -1 3 247.342 2.426 20 0 BEADHM Cn1c(=O)[n-]nc1SC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000663948887 411788312 /nfs/dbraw/zinc/78/83/12/411788312.db2.gz IYSWRQFEOGMETE-HRDYMLBCSA-N -1 3 239.344 2.049 20 0 BEADHM CCn1nccc1C[N-]c1nc(C2CCC2)no1 ZINC000664682178 412010600 /nfs/dbraw/zinc/01/06/00/412010600.db2.gz OMBXUQJHCFSOEH-UHFFFAOYSA-N -1 3 247.302 2.166 20 0 BEADHM CC[C@@H]1CCCC[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000337405589 170969907 /nfs/dbraw/zinc/96/99/07/170969907.db2.gz SHNSCDGNTOLXCK-MWLCHTKSSA-N -1 3 245.330 2.107 20 0 BEADHM CC[C@@H]1CCN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000130316331 171007963 /nfs/dbraw/zinc/00/79/63/171007963.db2.gz HAUSJHNNTTZLBW-SNVBAGLBSA-N -1 3 249.310 2.273 20 0 BEADHM CC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H](C)O1 ZINC000111644579 171070553 /nfs/dbraw/zinc/07/05/53/171070553.db2.gz HEUVLTBQAUMXDT-WDEREUQCSA-N -1 3 249.310 2.032 20 0 BEADHM CC[C@@H]1C[C@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000227030596 171141234 /nfs/dbraw/zinc/14/12/34/171141234.db2.gz XYUJURFFUKXJHP-MWLCHTKSSA-N -1 3 219.284 2.229 20 0 BEADHM CC[C@H](C(=O)Nc1ccc(C)cc1[O-])[C@H](C)O ZINC000357299702 171233737 /nfs/dbraw/zinc/23/37/37/171233737.db2.gz GBSQZMITANPQDU-UWVGGRQHSA-N -1 3 237.299 2.046 20 0 BEADHM CC[C@H](C(=O)[O-])N(C)Cc1cccs1 ZINC000037374525 171236470 /nfs/dbraw/zinc/23/64/70/171236470.db2.gz IRSDJIWSCRDIKP-SECBINFHSA-N -1 3 213.302 2.043 20 0 BEADHM CC[C@H](C)CON=C([O-])Nc1cccc(C)n1 ZINC000291942171 171289028 /nfs/dbraw/zinc/28/90/28/171289028.db2.gz UMWAFYAEYWLILF-VIFPVBQESA-N -1 3 237.303 2.489 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)Nc1cccc(C)n1 ZINC000291942171 171289030 /nfs/dbraw/zinc/28/90/30/171289030.db2.gz UMWAFYAEYWLILF-VIFPVBQESA-N -1 3 237.303 2.489 20 0 BEADHM CC[C@H](C)N(C)C(=O)c1cc(OC)ccc1[O-] ZINC000055468411 171304012 /nfs/dbraw/zinc/30/40/12/171304012.db2.gz AVPLKPGLFXDXPI-VIFPVBQESA-N -1 3 237.299 2.271 20 0 BEADHM CC[C@H](C)[C@H](C)C(=O)NCc1ncccc1[O-] ZINC000331024234 171384620 /nfs/dbraw/zinc/38/46/20/171384620.db2.gz SGNSOPYVQCBCMV-UWVGGRQHSA-N -1 3 236.315 2.086 20 0 BEADHM CC[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000182911127 171385297 /nfs/dbraw/zinc/38/52/97/171385297.db2.gz HIRKGNIDVRDGTC-IUCAKERBSA-N -1 3 222.288 2.408 20 0 BEADHM CCc1ccc(C(=O)N2C[C@@H](C)[C@H]2C)c([O-])c1 ZINC000294215216 171785041 /nfs/dbraw/zinc/78/50/41/171785041.db2.gz RDRKQIOZKHKIGS-NXEZZACHSA-N -1 3 233.311 2.435 20 0 BEADHM [O-]c1ccc(-c2noc(CCCF)n2)cc1 ZINC000663301165 412412384 /nfs/dbraw/zinc/41/23/84/412412384.db2.gz NBQFDGHFIZWBKO-UHFFFAOYSA-N -1 3 222.219 2.344 20 0 BEADHM CCc1nn(C)cc1NCc1nc(C)ccc1[O-] ZINC000091070353 172042952 /nfs/dbraw/zinc/04/29/52/172042952.db2.gz RWLUGYJWTGQNIX-UHFFFAOYSA-N -1 3 246.314 2.004 20 0 BEADHM CCc1nn(C)cc1NCc1cc([O-])cc(F)c1 ZINC000225380024 172043360 /nfs/dbraw/zinc/04/33/60/172043360.db2.gz JQXUDOQWDBSNHS-UHFFFAOYSA-N -1 3 249.289 2.439 20 0 BEADHM CCn1c(=O)[n-]nc1SCCCCCF ZINC000340663442 172145779 /nfs/dbraw/zinc/14/57/79/172145779.db2.gz WQJAEVCPFZPHGU-UHFFFAOYSA-N -1 3 233.312 2.236 20 0 BEADHM CCn1c(S[C@@H](C)C(C)C)n[n-]c1=O ZINC000339119386 172146375 /nfs/dbraw/zinc/14/63/75/172146375.db2.gz QPDOZFYEEKKXTB-ZETCQYMHSA-N -1 3 215.322 2.140 20 0 BEADHM [O-]c1coc2cc(OCC[C@H]3CCCO3)ccc12 ZINC000087248597 487624960 /nfs/dbraw/zinc/62/49/60/487624960.db2.gz FJCGOJJXKVXEOU-SNVBAGLBSA-N -1 3 248.278 2.210 20 0 BEADHM COC1(c2nc(-c3ccc([O-])cc3)no2)CCC1 ZINC000272700542 174010441 /nfs/dbraw/zinc/01/04/41/174010441.db2.gz GGNYQOVVCYULCV-UHFFFAOYSA-N -1 3 246.266 2.468 20 0 BEADHM COCC(C)(C)C(=O)Nc1ccc(C)cc1[O-] ZINC000129252931 174067297 /nfs/dbraw/zinc/06/72/97/174067297.db2.gz GTSIVHIBYVHBEY-UHFFFAOYSA-N -1 3 237.299 2.312 20 0 BEADHM COCCCCC(=O)Nc1ccc(C)cc1[O-] ZINC000123333274 174174192 /nfs/dbraw/zinc/17/41/92/174174192.db2.gz VPSWHNAJQMHEAG-UHFFFAOYSA-N -1 3 237.299 2.456 20 0 BEADHM CO[N-]C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000151058674 174667460 /nfs/dbraw/zinc/66/74/60/174667460.db2.gz CYBRRNPMMRBPSP-NKWVEPMBSA-N -1 3 243.665 2.260 20 0 BEADHM COc1ccc(C(=O)N2CCC[C@@H]2C)c([O-])c1 ZINC000037912266 175056725 /nfs/dbraw/zinc/05/67/25/175056725.db2.gz VNCNRZDHKHRUSL-VIFPVBQESA-N -1 3 235.283 2.025 20 0 BEADHM COc1ccc(C(=O)N2CC[C@H](C)[C@@H]2C)c([O-])c1 ZINC000177021570 175057035 /nfs/dbraw/zinc/05/70/35/175057035.db2.gz SCNIESYIKZRMEI-UWVGGRQHSA-N -1 3 249.310 2.271 20 0 BEADHM COc1ccc(C(=O)NC2(C)CCC2)c([O-])c1 ZINC000093246211 175058639 /nfs/dbraw/zinc/05/86/39/175058639.db2.gz PTVTXGNFFNYVBC-UHFFFAOYSA-N -1 3 235.283 2.073 20 0 BEADHM COc1ccc(C(=O)NC2(C(C)C)CC2)c([O-])c1 ZINC000293926513 175058850 /nfs/dbraw/zinc/05/88/50/175058850.db2.gz MLWGUOIMTVMSPE-UHFFFAOYSA-N -1 3 249.310 2.319 20 0 BEADHM COc1ccc(NC(=O)[N-]OCC2CC2)cc1 ZINC000292413438 175144555 /nfs/dbraw/zinc/14/45/55/175144555.db2.gz YXABOPOWMNHBOM-UHFFFAOYSA-N -1 3 236.271 2.158 20 0 BEADHM COc1ccc(NC(=O)[C@]2(C)C[C@@H]2F)c([O-])c1 ZINC000335150710 175147809 /nfs/dbraw/zinc/14/78/09/175147809.db2.gz FWEJHBDIWFBZAY-CMPLNLGQSA-N -1 3 239.246 2.087 20 0 BEADHM COc1ccc([O-])c(C(=O)Nc2cccnc2)c1 ZINC000052395536 175157391 /nfs/dbraw/zinc/15/73/91/175157391.db2.gz KMTKFFLCKAMWEG-UHFFFAOYSA-N -1 3 244.250 2.048 20 0 BEADHM COc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H](C)C2)c1 ZINC000091438997 175157492 /nfs/dbraw/zinc/15/74/92/175157492.db2.gz LBFAAOSQHLPRDC-AOOOYVTPSA-N -1 3 249.310 2.129 20 0 BEADHM COc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H](C)C2)c1 ZINC000091438999 175157586 /nfs/dbraw/zinc/15/75/86/175157586.db2.gz LBFAAOSQHLPRDC-UWVGGRQHSA-N -1 3 249.310 2.129 20 0 BEADHM COc1cccc(C(=O)N2CC[C@@H](C)[C@@H]2C)c1[O-] ZINC000177065346 175243134 /nfs/dbraw/zinc/24/31/34/175243134.db2.gz AKKOYHSYLYGMJA-ZJUUUORDSA-N -1 3 249.310 2.271 20 0 BEADHM COc1cccc(C(=O)NC2(C(C)C)CC2)c1[O-] ZINC000294014172 175244585 /nfs/dbraw/zinc/24/45/85/175244585.db2.gz VCZSIOCKGXPOQI-UHFFFAOYSA-N -1 3 249.310 2.319 20 0 BEADHM COc1cccc(C(=O)NC2(C)CCCC2)c1[O-] ZINC000112703343 175244756 /nfs/dbraw/zinc/24/47/56/175244756.db2.gz HKBVPPMWXCNFGU-UHFFFAOYSA-N -1 3 249.310 2.463 20 0 BEADHM COc1cccc(C(=O)N[C@H]2CC=CCC2)c1[O-] ZINC000080110855 175246156 /nfs/dbraw/zinc/24/61/56/175246156.db2.gz UQXXPHHNWBWDMF-JTQLQIEISA-N -1 3 247.294 2.239 20 0 BEADHM COc1cccc(C[N-]c2nc(C(C)C)no2)n1 ZINC000265645115 175269001 /nfs/dbraw/zinc/26/90/01/175269001.db2.gz SULLXDFUXHNDLQ-UHFFFAOYSA-N -1 3 248.286 2.209 20 0 BEADHM COc1cccc(NC(=O)[N-]OCC(C)C)c1 ZINC000123395396 175276438 /nfs/dbraw/zinc/27/64/38/175276438.db2.gz BFSJFMJQANGUCH-UHFFFAOYSA-N -1 3 238.287 2.404 20 0 BEADHM COc1ccccc1-c1cncc([O-])c1 ZINC000065337764 175309959 /nfs/dbraw/zinc/30/99/59/175309959.db2.gz JTXOTLRCDICHBZ-UHFFFAOYSA-N -1 3 201.225 2.463 20 0 BEADHM C[C@@H]1CC=CC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000286083094 176059920 /nfs/dbraw/zinc/05/99/20/176059920.db2.gz NHYHQGZWVFOBLI-NXEZZACHSA-N -1 3 232.283 2.328 20 0 BEADHM C[C@@H]1CC=CC[C@H]1C(=O)[N-]OCc1cccnc1 ZINC000285106575 176060458 /nfs/dbraw/zinc/06/04/58/176060458.db2.gz WUXAJTJLDBFTLJ-DGCLKSJQSA-N -1 3 246.310 2.232 20 0 BEADHM C[C@@H]1CCCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000125743812 176094685 /nfs/dbraw/zinc/09/46/85/176094685.db2.gz GFHXKXLMYRJHKN-SNVBAGLBSA-N -1 3 249.310 2.360 20 0 BEADHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000104761367 176150400 /nfs/dbraw/zinc/15/04/00/176150400.db2.gz BARGHAWJCQPZLY-RKDXNWHRSA-N -1 3 245.369 2.215 20 0 BEADHM C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2ccccc2[O-])O1 ZINC000282079714 176366733 /nfs/dbraw/zinc/36/67/33/176366733.db2.gz NXEXGHSKPNKVRH-KBVBSXBZSA-N -1 3 235.283 2.144 20 0 BEADHM C[C@@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000098018456 176387280 /nfs/dbraw/zinc/38/72/80/176387280.db2.gz YBNQGHZSPUKBSW-SVRRBLITSA-N -1 3 209.220 2.126 20 0 BEADHM C[C@@H]1C[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000235272467 176394625 /nfs/dbraw/zinc/39/46/25/176394625.db2.gz AZCWRSCTFMCPDA-HTQZYQBOSA-N -1 3 239.702 2.431 20 0 BEADHM C[C@H](c1ccccc1F)N(C)CCC(=O)[O-] ZINC000062015324 177041643 /nfs/dbraw/zinc/04/16/43/177041643.db2.gz SAGXGHMULXVPCU-SECBINFHSA-N -1 3 225.263 2.293 20 0 BEADHM C[C@H]1CCCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000275048540 177070727 /nfs/dbraw/zinc/07/07/27/177070727.db2.gz UTUFXYVNYJQCLN-JTQLQIEISA-N -1 3 249.310 2.360 20 0 BEADHM C[C@H]1CCC[C@H]1CC(=O)NCc1ncccc1[O-] ZINC000352508032 177139996 /nfs/dbraw/zinc/13/99/96/177139996.db2.gz LLMAOECMHQTJLO-QWRGUYRKSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccccc1[O-] ZINC000177116020 177154292 /nfs/dbraw/zinc/15/42/92/177154292.db2.gz RTOYZPXSCPOKBC-VHSXEESVSA-N -1 3 219.284 2.263 20 0 BEADHM C[C@H]1CCN(C(=O)c2cccc([O-])c2)[C@H]1C ZINC000182557777 177154350 /nfs/dbraw/zinc/15/43/50/177154350.db2.gz SKVOGBNDXUVFMD-UWVGGRQHSA-N -1 3 219.284 2.263 20 0 BEADHM C[C@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC000075412321 177228341 /nfs/dbraw/zinc/22/83/41/177228341.db2.gz VAWLPHZQVXSTSW-UWVGGRQHSA-N -1 3 219.284 2.120 20 0 BEADHM O=C(/C=C\c1cncc([O-])c1)NCCCC1CC1 ZINC000492476174 226004824 /nfs/dbraw/zinc/00/48/24/226004824.db2.gz SJJHGAQNAWWTGR-WAYWQWQTSA-N -1 3 246.310 2.107 20 0 BEADHM Cc1ccccc1/C=C\C(=O)[N-]OCC(F)F ZINC000492601335 226024957 /nfs/dbraw/zinc/02/49/57/226024957.db2.gz CTHKOYYYZIKVCA-SREVYHEPSA-N -1 3 241.237 2.321 20 0 BEADHM Cc1cnccc1/C=C\C(=O)[N-]OC1CCCC1 ZINC000493115165 226131182 /nfs/dbraw/zinc/13/11/82/226131182.db2.gz INKRNQRHDFETHG-SREVYHEPSA-N -1 3 246.310 2.394 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)c1cnccn1 ZINC000557179558 322935011 /nfs/dbraw/zinc/93/50/11/322935011.db2.gz AZYGIZHRNZHUFZ-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM O=C(CC(F)(F)F)[N-]C1(C(F)(F)F)CC1 ZINC000675039962 487665149 /nfs/dbraw/zinc/66/51/49/487665149.db2.gz WEXAGLLXHUJFLC-UHFFFAOYSA-N -1 3 235.127 2.150 20 0 BEADHM O=C([O-])[C@H]1CN(CC2CCC2)Cc2ccccc21 ZINC000088133830 487706336 /nfs/dbraw/zinc/70/63/36/487706336.db2.gz RUYWACAHKJFVOC-AWEZNQCLSA-N -1 3 245.322 2.471 20 0 BEADHM C/C(=C/c1ccco1)C(=O)[N-]OCC(C)C ZINC001331964768 974891660 /nfs/dbraw/zinc/89/16/60/974891660.db2.gz RJUDVQGZCYLDAL-YFHOEESVSA-N -1 3 223.272 2.387 20 0 BEADHM CC(C)CCN(C)Cc1ccc(C(=O)[O-])o1 ZINC000042457317 487749950 /nfs/dbraw/zinc/74/99/50/487749950.db2.gz HHCSUCDKJHSOMW-UHFFFAOYSA-N -1 3 225.288 2.456 20 0 BEADHM CCc1cc([N-]C(=O)c2coc(CC)n2)no1 ZINC000681291889 487770728 /nfs/dbraw/zinc/77/07/28/487770728.db2.gz QUNYNNYWKQBYGN-UHFFFAOYSA-N -1 3 235.243 2.040 20 0 BEADHM CCc1cc(C(=O)N2C[C@H](C)[C@@H]2C)ccc1[O-] ZINC000293942272 487771166 /nfs/dbraw/zinc/77/11/66/487771166.db2.gz FGYVSOVDWVYKNF-UWVGGRQHSA-N -1 3 233.311 2.435 20 0 BEADHM Cc1conc1[N-]C(=O)c1coc(C2CC2)n1 ZINC000681636212 487827376 /nfs/dbraw/zinc/82/73/76/487827376.db2.gz KSEKFFGXZDTBJO-UHFFFAOYSA-N -1 3 233.227 2.101 20 0 BEADHM O=C([O-])c1cc(CN2CCCC2)cs1 ZINC000016943935 487857066 /nfs/dbraw/zinc/85/70/66/487857066.db2.gz LOKHYPHTGRXNRC-UHFFFAOYSA-N -1 3 211.286 2.042 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@@H](CC(C)C)C(C)C ZINC001226461483 974911790 /nfs/dbraw/zinc/91/17/90/974911790.db2.gz QJGYPEDFGBKBTD-JTQLQIEISA-N -1 3 239.319 2.335 20 0 BEADHM C[C@@H]1C[C@H](C)CN1Cc1cc(C(=O)[O-])co1 ZINC000158024737 487935578 /nfs/dbraw/zinc/93/55/78/487935578.db2.gz XXDOFQXRLWZZKP-DTWKUNHWSA-N -1 3 223.272 2.208 20 0 BEADHM COc1cc(C(=O)N[C@H](C)C2CCC2)ccc1[O-] ZINC000682362330 487937161 /nfs/dbraw/zinc/93/71/61/487937161.db2.gz YJUMEHUTDMXTKH-SECBINFHSA-N -1 3 249.310 2.319 20 0 BEADHM [O-]c1coc2cc(OCC3CCC3)ccc12 ZINC000083839073 487941742 /nfs/dbraw/zinc/94/17/42/487941742.db2.gz RHEHNSAPQDCMAQ-UHFFFAOYSA-N -1 3 218.252 2.441 20 0 BEADHM [O-]c1cccnc1CSc1ncco1 ZINC000559629024 322978866 /nfs/dbraw/zinc/97/88/66/322978866.db2.gz BTWIHZLTRJQLOQ-UHFFFAOYSA-N -1 3 208.242 2.068 20 0 BEADHM O=C(N[C@@H]1C[C@H]1C1CCC1)c1c([O-])cccc1O ZINC000570084089 323049573 /nfs/dbraw/zinc/04/95/73/323049573.db2.gz ZSHSEXCHTZJQAH-VHSXEESVSA-N -1 3 247.294 2.016 20 0 BEADHM Cc1oc([C@H](C)N2CCCC2)cc1C(=O)[O-] ZINC000563277643 323107597 /nfs/dbraw/zinc/10/75/97/323107597.db2.gz JNIGHCJPUSPOLS-QMMMGPOBSA-N -1 3 223.272 2.443 20 0 BEADHM CCc1cccc(C(=O)NC[C@@H]2CC23CC3)c1[O-] ZINC000563517799 323128923 /nfs/dbraw/zinc/12/89/23/323128923.db2.gz HGGLRWAHQWOHLW-NSHDSACASA-N -1 3 245.322 2.485 20 0 BEADHM [O-]c1cccnc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000571483434 323145830 /nfs/dbraw/zinc/14/58/30/323145830.db2.gz YWIKHNKFDJKVPE-ZDUSSCGKSA-N -1 3 243.310 2.452 20 0 BEADHM Cc1ccc([O-])c(CN[C@@H]2C[C@H]2c2ccco2)n1 ZINC000414597247 323150859 /nfs/dbraw/zinc/15/08/59/323150859.db2.gz WAYZYZYITHLJBR-GHMZBOCLSA-N -1 3 244.294 2.334 20 0 BEADHM Cc1ccc(C(=O)NC[C@H]2C[C@H]2C)c([O-])c1C ZINC000049249901 323159385 /nfs/dbraw/zinc/15/93/85/323159385.db2.gz JJQKFTJBRFDSNQ-MWLCHTKSSA-N -1 3 233.311 2.395 20 0 BEADHM CCCc1nccn1CC(=O)c1ccc([O-])cc1 ZINC000535233677 323168746 /nfs/dbraw/zinc/16/87/46/323168746.db2.gz LWMFVGSFHMFDBL-UHFFFAOYSA-N -1 3 244.294 2.424 20 0 BEADHM O=C(NCCOC1CCCC1)c1ccccc1[O-] ZINC000070167681 323170496 /nfs/dbraw/zinc/17/04/96/323170496.db2.gz DJWHQLPVOFPBBE-UHFFFAOYSA-N -1 3 249.310 2.081 20 0 BEADHM CCOCCCC(=O)Nc1cccc([O-])c1F ZINC000535659607 323187705 /nfs/dbraw/zinc/18/77/05/323187705.db2.gz TXVMLNIEOJUXAB-UHFFFAOYSA-N -1 3 241.262 2.287 20 0 BEADHM Cc1ccc(NC(=O)[C@H]2CCOC[C@H]2C)c([O-])c1 ZINC000195315322 323204418 /nfs/dbraw/zinc/20/44/18/323204418.db2.gz HSSDHRWANHSYRB-MNOVXSKESA-N -1 3 249.310 2.312 20 0 BEADHM Cc1ccc(NC(=O)c2cc(C)ncn2)c([O-])c1 ZINC000122609030 324050582 /nfs/dbraw/zinc/05/05/82/324050582.db2.gz SSWPTLAHWLPECS-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM Cc1ccc(C(=O)NC2(C3CC3)CC2)c([O-])c1 ZINC000537682228 324095985 /nfs/dbraw/zinc/09/59/85/324095985.db2.gz IHZSXEFCFNVOMO-UHFFFAOYSA-N -1 3 231.295 2.373 20 0 BEADHM O=C(Nc1cccc([O-])c1F)c1ccccn1 ZINC000128273440 324817918 /nfs/dbraw/zinc/81/79/18/324817918.db2.gz WFPJESXURMZVJF-UHFFFAOYSA-N -1 3 232.214 2.179 20 0 BEADHM CCC[C@](C)(O)C(=O)Nc1cccc([O-])c1F ZINC000128696036 324872732 /nfs/dbraw/zinc/87/27/32/324872732.db2.gz AILIVFGEPYIMFG-LBPRGKRZSA-N -1 3 241.262 2.021 20 0 BEADHM Cc1cc(C(=O)N2CCC2(C)C)ccc1[O-] ZINC000541857683 324984076 /nfs/dbraw/zinc/98/40/76/324984076.db2.gz ZVVAUZBFHWKDCE-UHFFFAOYSA-N -1 3 219.284 2.325 20 0 BEADHM Cc1cc(C(=O)N(C)c2nccs2)ccc1[O-] ZINC000542784991 325046944 /nfs/dbraw/zinc/04/69/44/325046944.db2.gz LALOFRLCKREOCD-UHFFFAOYSA-N -1 3 248.307 2.434 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)Sc2cccnn2)n1 ZINC000542828485 325055108 /nfs/dbraw/zinc/05/51/08/325055108.db2.gz OJBUUAMVRZUKEL-QMMMGPOBSA-N -1 3 248.311 2.134 20 0 BEADHM CC[C@@H]1CCN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000130828980 325092286 /nfs/dbraw/zinc/09/22/86/325092286.db2.gz PYEJCWRCIMJPST-SNVBAGLBSA-N -1 3 249.310 2.273 20 0 BEADHM Cc1c[nH]c(NC(=O)c2ccc(C)c(C)c2[O-])n1 ZINC000131115087 325118565 /nfs/dbraw/zinc/11/85/65/325118565.db2.gz YXIPQAVBXFXLMQ-UHFFFAOYSA-N -1 3 245.282 2.293 20 0 BEADHM CN(Cc1ccccc1)Cc1ncccc1[O-] ZINC000564290556 325220817 /nfs/dbraw/zinc/22/08/17/325220817.db2.gz KLBMWZKUOVLOQS-UHFFFAOYSA-N -1 3 228.295 2.419 20 0 BEADHM C[C@@H]1c2cccn2CCN1Cc1ncccc1[O-] ZINC000564294240 325237930 /nfs/dbraw/zinc/23/79/30/325237930.db2.gz YZQMWKFJITUOQF-LLVKDONJSA-N -1 3 243.310 2.166 20 0 BEADHM CC1(C(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000133743396 325314881 /nfs/dbraw/zinc/31/48/81/325314881.db2.gz MKRYSMMFBQUULS-UHFFFAOYSA-N -1 3 209.220 2.270 20 0 BEADHM O=C(N[C@H]1CCC[C@H](F)C1)c1ccccc1[O-] ZINC000566263233 326026022 /nfs/dbraw/zinc/02/60/22/326026022.db2.gz ZTMQGERADWMARU-UWVGGRQHSA-N -1 3 237.274 2.403 20 0 BEADHM O=C(N[C@@H]1CCC[C@H](F)C1)c1ccccc1[O-] ZINC000566263234 326026199 /nfs/dbraw/zinc/02/61/99/326026199.db2.gz ZTMQGERADWMARU-VHSXEESVSA-N -1 3 237.274 2.403 20 0 BEADHM CCC[C@@H](C)S(=O)(=O)[N-][C@@H](C)C(C)(F)F ZINC000567171762 326128737 /nfs/dbraw/zinc/12/87/37/326128737.db2.gz QGEBTFGCMZYUPP-SFYZADRCSA-N -1 3 243.319 2.138 20 0 BEADHM Cc1ccc(C(=O)NCCc2ccc[nH]2)c([O-])c1 ZINC000154241740 326136554 /nfs/dbraw/zinc/13/65/54/326136554.db2.gz KYNOWUBNDHQOQM-UHFFFAOYSA-N -1 3 244.294 2.001 20 0 BEADHM C/C=C\c1ccc(NC(=O)c2nc[n-]n2)cc1 ZINC000567509261 326207174 /nfs/dbraw/zinc/20/71/74/326207174.db2.gz XKDDFRROQRFROQ-IHWYPQMZSA-N -1 3 228.255 2.090 20 0 BEADHM CCc1nc(O[C@@H]2C=CCCC2)cc(=O)[n-]1 ZINC001226474459 974919337 /nfs/dbraw/zinc/91/93/37/974919337.db2.gz FXVCHFPEWPHTDK-SECBINFHSA-N -1 3 220.272 2.232 20 0 BEADHM Cc1ccc(CNCc2nc(C)ccc2[O-])o1 ZINC000091995300 488079690 /nfs/dbraw/zinc/07/96/90/488079690.db2.gz RUCGUIWOEIDGOD-UHFFFAOYSA-N -1 3 232.283 2.287 20 0 BEADHM Cc1ccc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)cn1 ZINC000397479644 488119846 /nfs/dbraw/zinc/11/98/46/488119846.db2.gz CVXSSVPEMOULON-DGCLKSJQSA-N -1 3 248.326 2.075 20 0 BEADHM C[C@H](CNCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000258887142 488141274 /nfs/dbraw/zinc/14/12/74/488141274.db2.gz MPAFFLIMPBWICO-SSDOTTSWSA-N -1 3 245.681 2.289 20 0 BEADHM Cc1noc([N-]C(=O)[C@H](C)OCC2CC2)c1C ZINC000673940040 487486142 /nfs/dbraw/zinc/48/61/42/487486142.db2.gz JVWSVCOIVZPSDT-VIFPVBQESA-N -1 3 238.287 2.045 20 0 BEADHM O=C(c1cccc([O-])c1)N1CC(C(F)(F)F)C1 ZINC000669331139 487526186 /nfs/dbraw/zinc/52/61/86/487526186.db2.gz KWAXJOSONINYJW-UHFFFAOYSA-N -1 3 245.200 2.027 20 0 BEADHM C[C@@H](CNCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000258887148 488141624 /nfs/dbraw/zinc/14/16/24/488141624.db2.gz MPAFFLIMPBWICO-ZETCQYMHSA-N -1 3 245.681 2.289 20 0 BEADHM Cc1cccc([O-])c1NC(=O)c1nccs1 ZINC000683631332 488203908 /nfs/dbraw/zinc/20/39/08/488203908.db2.gz PACJUUVZZGDINJ-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM O=C(Nc1cccc([O-])c1F)c1nccs1 ZINC000683630981 488204112 /nfs/dbraw/zinc/20/41/12/488204112.db2.gz VBQHKGDUYBBZSA-UHFFFAOYSA-N -1 3 238.243 2.240 20 0 BEADHM CCCN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000035432259 488236336 /nfs/dbraw/zinc/23/63/36/488236336.db2.gz BTOJKEBWTNTSEM-UHFFFAOYSA-N -1 3 211.261 2.128 20 0 BEADHM C[C@H](CNCc1ccccc1Cl)C(=O)[O-] ZINC000035757777 488235964 /nfs/dbraw/zinc/23/59/64/488235964.db2.gz IBGOBQOLINRCBM-MRVPVSSYSA-N -1 3 227.691 2.150 20 0 BEADHM CCCc1cnc([N-]C(=O)c2cnco2)s1 ZINC000678971907 488300149 /nfs/dbraw/zinc/30/01/49/488300149.db2.gz TUHHBKGFCFETMS-UHFFFAOYSA-N -1 3 237.284 2.336 20 0 BEADHM Cc1ccc([O-])c(CN2CC[C@@H](C)[C@H](F)C2)n1 ZINC000679359883 488345597 /nfs/dbraw/zinc/34/55/97/488345597.db2.gz ROTXTOOWUGRRNX-MWLCHTKSSA-N -1 3 238.306 2.276 20 0 BEADHM Cc1noc(C)c1N(C)C(=O)c1cccc([O-])c1 ZINC000679635445 488361098 /nfs/dbraw/zinc/36/10/98/488361098.db2.gz IFFOWLKGZFPQSU-UHFFFAOYSA-N -1 3 246.266 2.274 20 0 BEADHM COCC[C@H](C)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000129946649 490182107 /nfs/dbraw/zinc/18/21/07/490182107.db2.gz SYUCNVNQGKLGBH-JTQLQIEISA-N -1 3 249.310 2.125 20 0 BEADHM CCC[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000220213843 490593758 /nfs/dbraw/zinc/59/37/58/490593758.db2.gz YAIZTTPKGWAQEV-QMMMGPOBSA-N -1 3 223.272 2.016 20 0 BEADHM C[C@@H](c1cccnc1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086757466 491064374 /nfs/dbraw/zinc/06/43/74/491064374.db2.gz NDQRDKDUUVTXHI-NWDGAFQWSA-N -1 3 248.326 2.329 20 0 BEADHM Cc1nc(NC[C@@H]2CC2(Cl)Cl)cc(=O)[n-]1 ZINC000891533377 582695334 /nfs/dbraw/zinc/69/53/34/582695334.db2.gz YCDKXFMUSSVXHT-LURJTMIESA-N -1 3 248.113 2.096 20 0 BEADHM [O-]c1cc(Cl)cc(CN2CCCOCC2)c1 ZINC000891720080 582713940 /nfs/dbraw/zinc/71/39/40/582713940.db2.gz KEHBECSTOWGYCI-UHFFFAOYSA-N -1 3 241.718 2.268 20 0 BEADHM CCn1nccc1NC(=O)c1ccc([O-])c(C)c1 ZINC000336157081 535885378 /nfs/dbraw/zinc/88/53/78/535885378.db2.gz BENVCRLIKCTSDD-UHFFFAOYSA-N -1 3 245.282 2.169 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H]3CCC[C@H]3C2)n1 ZINC000248754176 518187681 /nfs/dbraw/zinc/18/76/81/518187681.db2.gz PECDCQMLVSTTID-SRVKXCTJSA-N -1 3 247.342 2.284 20 0 BEADHM CC(=O)c1cccc(NC(=O)/C=C\C2CC2)c1[O-] ZINC000492970880 527357974 /nfs/dbraw/zinc/35/79/74/527357974.db2.gz FFTHLBRFVHZRSF-FPLPWBNLSA-N -1 3 245.278 2.500 20 0 BEADHM C/C=C(/C=C/C(=O)[N-]OCC(F)F)CC ZINC000492602725 527554616 /nfs/dbraw/zinc/55/46/16/527554616.db2.gz 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229.198 2.397 20 0 BEADHM CCOC(=O)[N-]OCCCCC(F)(F)F ZINC000496977823 529083147 /nfs/dbraw/zinc/08/31/47/529083147.db2.gz CUFABXHZOPQHDQ-UHFFFAOYSA-N -1 3 229.198 2.397 20 0 BEADHM CCO[N-]C(=O)/C=C/Sc1ccccc1 ZINC000302894026 529082570 /nfs/dbraw/zinc/08/25/70/529082570.db2.gz CTOJORTVMYFVOH-CMDGGOBGSA-N -1 3 223.297 2.360 20 0 BEADHM CC[C@@H]1CCN(C(=O)/C=C\c2cncc([O-])c2)C1 ZINC000492516760 529322683 /nfs/dbraw/zinc/32/26/83/529322683.db2.gz CFBOACJDSCKPMH-DLRQAJBASA-N -1 3 246.310 2.059 20 0 BEADHM CC(C)(NC(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000227507998 535241009 /nfs/dbraw/zinc/24/10/09/535241009.db2.gz QGTNEBHPKCMOIF-UHFFFAOYSA-N -1 3 235.283 2.016 20 0 BEADHM CC1(C)CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000220236812 535314115 /nfs/dbraw/zinc/31/41/15/535314115.db2.gz JKCNPBMAKFAWSX-UHFFFAOYSA-N -1 3 249.310 2.360 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)c2c(C)coc2C)c1C ZINC000335969471 535983269 /nfs/dbraw/zinc/98/32/69/535983269.db2.gz VXIMOSFHMKAWPF-UHFFFAOYSA-N -1 3 247.298 2.165 20 0 BEADHM 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/nfs/dbraw/zinc/78/44/14/584784414.db2.gz MWPOHJQCIZLSRO-SNVBAGLBSA-N -1 3 243.303 2.308 20 0 BEADHM CN(CCCF)[C@H](C(=O)[O-])c1ccccc1F ZINC000903625981 584787577 /nfs/dbraw/zinc/78/75/77/584787577.db2.gz WSYKDLOLHLQSLV-NSHDSACASA-N -1 3 243.253 2.243 20 0 BEADHM CC(C)N(Cc1cncc(C(=O)[O-])c1)C1CC1 ZINC000903889924 584813790 /nfs/dbraw/zinc/81/37/90/584813790.db2.gz SKSBZPIVWSAHSV-UHFFFAOYSA-N -1 3 234.299 2.153 20 0 BEADHM CCCCCCN([O-])C(=O)Nc1cnn(C)c1 ZINC000904178492 584846495 /nfs/dbraw/zinc/84/64/95/584846495.db2.gz LTAWTATVZJKISS-UHFFFAOYSA-N -1 3 240.307 2.224 20 0 BEADHM CC[C@@](C)(CC(=O)[O-])NCc1c(C)noc1C ZINC000828664814 584904044 /nfs/dbraw/zinc/90/40/44/584904044.db2.gz ITUISQZGGNFZGQ-LBPRGKRZSA-N -1 3 240.303 2.024 20 0 BEADHM CSCCO[N-]C(=O)/C=C(/C)c1ccco1 ZINC000834826052 584915152 /nfs/dbraw/zinc/91/51/52/584915152.db2.gz MHOKOVBVUIXYKR-HJWRWDBZSA-N -1 3 241.312 2.094 20 0 BEADHM CCO[N-]C(=O)[C@H](C)CSc1ccccc1 ZINC000732055300 584933206 /nfs/dbraw/zinc/93/32/06/584933206.db2.gz GGIWLPIRHYZNGJ-SNVBAGLBSA-N -1 3 239.340 2.483 20 0 BEADHM c1ccc(-c2nnn[n-]2)c(O[C@@H]2C=CCCC2)c1 ZINC000735401010 584976822 /nfs/dbraw/zinc/97/68/22/584976822.db2.gz VJGAJUKLCLCPMN-SNVBAGLBSA-N -1 3 242.282 2.354 20 0 BEADHM c1ccc(-c2nn[n-]n2)c(O[C@@H]2C=CCCC2)c1 ZINC000735401010 584976823 /nfs/dbraw/zinc/97/68/23/584976823.db2.gz VJGAJUKLCLCPMN-SNVBAGLBSA-N -1 3 242.282 2.354 20 0 BEADHM O=c1ccnc(C=Cc2cccs2)[n-]1 ZINC000742221477 585030125 /nfs/dbraw/zinc/03/01/25/585030125.db2.gz KWAVTEASDHBHMT-ARJAWSKDSA-N -1 3 204.254 2.414 20 0 BEADHM O=c1ccnc(C=Cc2ccccc2F)[n-]1 ZINC000742221773 585123334 /nfs/dbraw/zinc/12/33/34/585123334.db2.gz SUANQJUNJQEYAB-WAYWQWQTSA-N -1 3 216.215 2.492 20 0 BEADHM O=c1ccnc(C=Cc2cccc(F)c2)[n-]1 ZINC000742219631 585123390 /nfs/dbraw/zinc/12/33/90/585123390.db2.gz CZQUGPPTWVKRIO-PLNGDYQASA-N -1 3 216.215 2.492 20 0 BEADHM [O-]c1ccc(Cl)c(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000886348516 585133845 /nfs/dbraw/zinc/13/38/45/585133845.db2.gz NRSRZDLMKAYPJN-DTORHVGOSA-N -1 3 223.703 2.497 20 0 BEADHM O=C(OCCF)c1cc(-c2cccs2)[n-]n1 ZINC000744761389 585152763 /nfs/dbraw/zinc/15/27/63/585152763.db2.gz AXNWCAYHAKUXAI-UHFFFAOYSA-N -1 3 240.259 2.265 20 0 BEADHM O=C(OCCF)c1cc(-c2cccs2)n[n-]1 ZINC000744761389 585152764 /nfs/dbraw/zinc/15/27/64/585152764.db2.gz AXNWCAYHAKUXAI-UHFFFAOYSA-N -1 3 240.259 2.265 20 0 BEADHM C[C@@H](CC(=O)[N-]OCc1cccnc1)C1CC1 ZINC000746945588 585173701 /nfs/dbraw/zinc/17/37/01/585173701.db2.gz ZDWCINGRDMKKPQ-JTQLQIEISA-N -1 3 234.299 2.066 20 0 BEADHM O=C([N-]O[C@H]1CCCCO1)[C@H]1CC12CCCC2 ZINC000747378188 585178302 /nfs/dbraw/zinc/17/83/02/585178302.db2.gz ZXRXIEMVRWXKLK-MNOVXSKESA-N -1 3 239.315 2.141 20 0 BEADHM O=C1[N-]C(=O)C(=Cc2cccc(F)c2F)S1 ZINC000220800711 585182803 /nfs/dbraw/zinc/18/28/03/585182803.db2.gz AEGSHMXBTHGPJG-DAXSKMNVSA-N -1 3 241.218 2.289 20 0 BEADHM O=C([N-]O[C@@H]1CCCCO1)C1CCCCC1 ZINC000749374807 585201810 /nfs/dbraw/zinc/20/18/10/585201810.db2.gz HWJWZZGNHIOXRL-LLVKDONJSA-N -1 3 227.304 2.141 20 0 BEADHM Cc1conc1[N-]C(=O)c1c(C)noc1C1CC1 ZINC000752618823 585248387 /nfs/dbraw/zinc/24/83/87/585248387.db2.gz WUUWPBGFKJTIML-UHFFFAOYSA-N -1 3 247.254 2.409 20 0 BEADHM COCCCO[N-]C(=O)C[C@H]1CCCC[C@@H]1C ZINC000805037723 585256822 /nfs/dbraw/zinc/25/68/22/585256822.db2.gz ILBJOQWJCNGCKK-NWDGAFQWSA-N -1 3 243.347 2.287 20 0 BEADHM COc1ccccc1CC(=O)[N-]OCC1CCC1 ZINC000753822611 585270363 /nfs/dbraw/zinc/27/03/63/585270363.db2.gz WTYLESMLJWQVSS-UHFFFAOYSA-N -1 3 249.310 2.086 20 0 BEADHM COCCO[N-]C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000755948880 585311397 /nfs/dbraw/zinc/31/13/97/585311397.db2.gz OHQIJTMREANQKE-LLVKDONJSA-N -1 3 243.347 2.287 20 0 BEADHM COCC(C)(C)CC(=O)[N-]OC1CCCC1 ZINC000839718243 585338230 /nfs/dbraw/zinc/33/82/30/585338230.db2.gz IPCKBNKPQUOSPQ-UHFFFAOYSA-N -1 3 229.320 2.040 20 0 BEADHM C[C@@H](OC(=O)c1cncc([O-])c1)c1ccncc1 ZINC000757712694 585344549 /nfs/dbraw/zinc/34/45/49/585344549.db2.gz XCBHEGPEBYMOTQ-SECBINFHSA-N -1 3 244.250 2.100 20 0 BEADHM CC1(CC(=O)[N-]OCCC(F)(F)F)CC1 ZINC000758055394 585348754 /nfs/dbraw/zinc/34/87/54/585348754.db2.gz KBOIYSAXFWSWPM-UHFFFAOYSA-N -1 3 225.210 2.177 20 0 BEADHM CC(=O)CCCOC(=O)c1ccc([O-])cc1C ZINC000758537691 585357113 /nfs/dbraw/zinc/35/71/13/585357113.db2.gz ULUNKZKSKJCXIN-UHFFFAOYSA-N -1 3 236.267 2.227 20 0 BEADHM O=C(CCC1CCCC1)[N-]OCC(F)F ZINC000759330962 585367954 /nfs/dbraw/zinc/36/79/54/585367954.db2.gz KOKQZNNNSPYIRC-UHFFFAOYSA-N -1 3 221.247 2.270 20 0 BEADHM O=C(Cc1ccccc1Cl)[N-]OCC(F)F ZINC000759338824 585368653 /nfs/dbraw/zinc/36/86/53/585368653.db2.gz SNICGCKBMSBGSG-UHFFFAOYSA-N -1 3 249.644 2.195 20 0 BEADHM C/C(=C\C(=O)[N-]OCC(F)F)c1ccccc1 ZINC000759340621 585369337 /nfs/dbraw/zinc/36/93/37/585369337.db2.gz XTSDNGGRXVUTAD-VQHVLOKHSA-N -1 3 241.237 2.403 20 0 BEADHM CCc1cccc(CC(=O)[N-]OCC(F)F)c1 ZINC000759350092 585370870 /nfs/dbraw/zinc/37/08/70/585370870.db2.gz VCOJCUVWEMQXOE-UHFFFAOYSA-N -1 3 243.253 2.104 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])C1=COCC1 ZINC000759654330 585377925 /nfs/dbraw/zinc/37/79/25/585377925.db2.gz BHGAYCWJYISUOM-UHFFFAOYSA-N -1 3 239.658 2.288 20 0 BEADHM Cc1ccccc1NC([O-])=NOCC(F)F ZINC000759928231 585382862 /nfs/dbraw/zinc/38/28/62/585382862.db2.gz QSHBNBODWGRWEP-UHFFFAOYSA-N -1 3 230.214 2.313 20 0 BEADHM Cc1ccccc1NC(=O)[N-]OCC(F)F ZINC000759928231 585382863 /nfs/dbraw/zinc/38/28/63/585382863.db2.gz QSHBNBODWGRWEP-UHFFFAOYSA-N -1 3 230.214 2.313 20 0 BEADHM Cc1cscc1NC([O-])=NOCC(F)F ZINC000759994390 585383971 /nfs/dbraw/zinc/38/39/71/585383971.db2.gz MUGNYPCCYBAMAZ-UHFFFAOYSA-N -1 3 236.243 2.375 20 0 BEADHM Cc1cscc1NC(=O)[N-]OCC(F)F ZINC000759994390 585383972 /nfs/dbraw/zinc/38/39/72/585383972.db2.gz MUGNYPCCYBAMAZ-UHFFFAOYSA-N -1 3 236.243 2.375 20 0 BEADHM CC/C(C)=C(/C)C(=O)[N-]OCC(F)F ZINC000760140721 585385912 /nfs/dbraw/zinc/38/59/12/585385912.db2.gz FYQGHLYAYBBBCY-SREVYHEPSA-N -1 3 207.220 2.046 20 0 BEADHM O=C([N-]CCC[C@H]1CCCCO1)C(F)(F)F ZINC000761014907 585403572 /nfs/dbraw/zinc/40/35/72/585403572.db2.gz WTVWSQKCLAJDCE-MRVPVSSYSA-N -1 3 239.237 2.014 20 0 BEADHM Cc1cc(=O)[n-]c(CN2[C@H](C)CCC[C@H]2C)n1 ZINC000761876960 585421856 /nfs/dbraw/zinc/42/18/56/585421856.db2.gz PYXNECAOKWIIDE-GHMZBOCLSA-N -1 3 235.331 2.254 20 0 BEADHM CCC/C(C)=C\C(=O)Nc1ncccc1[O-] ZINC000762783788 585437070 /nfs/dbraw/zinc/43/70/70/585437070.db2.gz JEDJWYRUWQUCHU-HJWRWDBZSA-N -1 3 220.272 2.472 20 0 BEADHM O=C(C=C1CCCC1)Nc1ncccc1[O-] ZINC000762782822 585437141 /nfs/dbraw/zinc/43/71/41/585437141.db2.gz GIKURDAUVPLYFU-UHFFFAOYSA-N -1 3 218.256 2.226 20 0 BEADHM O=C(OC/C(Cl)=C\Cl)c1cncc([O-])c1 ZINC000763973729 585457931 /nfs/dbraw/zinc/45/79/31/585457931.db2.gz SNQGCAHIAIIOLU-FARCUNLSSA-N -1 3 248.065 2.263 20 0 BEADHM O=c1ccnc(C=Cc2ccc(O)cc2)[n-]1 ZINC000764436871 585465531 /nfs/dbraw/zinc/46/55/31/585465531.db2.gz WADOFEGMWCONRK-UTCJRWHESA-N -1 3 214.224 2.058 20 0 BEADHM Cc1cc(=O)[n-]c(CSCCCF)n1 ZINC000764653547 585470186 /nfs/dbraw/zinc/47/01/86/585470186.db2.gz HHDSJGSQYGWHEX-UHFFFAOYSA-N -1 3 216.281 2.083 20 0 BEADHM O=C(OCCOC1CCC1)c1ccc([O-])cc1 ZINC000805338205 585511685 /nfs/dbraw/zinc/51/16/85/585511685.db2.gz ZNQHEWCKZVDOCN-UHFFFAOYSA-N -1 3 236.267 2.118 20 0 BEADHM C[C@@H]1COCC[C@@H]1C(=O)[N-]OC1CCCCC1 ZINC000768006671 585529343 /nfs/dbraw/zinc/52/93/43/585529343.db2.gz SDQTWSFPWQDMNQ-PWSUYJOCSA-N -1 3 241.331 2.040 20 0 BEADHM C/C(=C/C(C)(C)C)C(=O)[N-]OCC(F)F ZINC000772253850 585611089 /nfs/dbraw/zinc/61/10/89/585611089.db2.gz DDOBPKOPFZATCQ-ALCCZGGFSA-N -1 3 221.247 2.292 20 0 BEADHM CC1(C)CCC[C@@H]1C(=O)[N-]OCC(F)F ZINC000772260263 585611145 /nfs/dbraw/zinc/61/11/45/585611145.db2.gz ZFSXYXVYJOPCMI-SSDOTTSWSA-N -1 3 221.247 2.126 20 0 BEADHM CCOCCO[N-]C(=O)C[C@H]1CCC[C@H](C)C1 ZINC000772696264 585620573 /nfs/dbraw/zinc/62/05/73/585620573.db2.gz OQVGUJSFEAFTRU-RYUDHWBXSA-N -1 3 243.347 2.287 20 0 BEADHM CCCC1(C(=O)[N-]OC2CCOCC2)CCC1 ZINC000772705636 585621643 /nfs/dbraw/zinc/62/16/43/585621643.db2.gz GVRUNXFLSZAGSW-UHFFFAOYSA-N -1 3 241.331 2.184 20 0 BEADHM O=C(CCc1ccoc1)[N-]Oc1ccccc1 ZINC000773466341 585637534 /nfs/dbraw/zinc/63/75/34/585637534.db2.gz JMPWBERLSIWJQM-UHFFFAOYSA-N -1 3 231.251 2.322 20 0 BEADHM O=C(Nc1ncccc1[O-])C1(F)CCCC1 ZINC000773903355 585646197 /nfs/dbraw/zinc/64/61/97/585646197.db2.gz YBUICLIVKRVAJY-UHFFFAOYSA-N -1 3 224.235 2.008 20 0 BEADHM C[C@@H](NCc1ccc([O-])c(F)c1)c1ccnn1C ZINC000774199851 585653679 /nfs/dbraw/zinc/65/36/79/585653679.db2.gz GOQSHOXCIVLMDF-SECBINFHSA-N -1 3 249.289 2.116 20 0 BEADHM CCO[C@@H](CC(=O)[N-]OC1CCCC1)C(C)C ZINC000774874470 585668208 /nfs/dbraw/zinc/66/82/08/585668208.db2.gz FRTBCACTJPRIRL-LBPRGKRZSA-N -1 3 243.347 2.428 20 0 BEADHM C[C@@H](CC(=O)[N-]OC1CCCC1)n1cccc1 ZINC000775272267 585674601 /nfs/dbraw/zinc/67/46/01/585674601.db2.gz FKEWYVPRKXBXRX-NSHDSACASA-N -1 3 236.315 2.430 20 0 BEADHM CC[C@@H]1[C@H](C)CCN1Cc1nc(C)cc(=O)[n-]1 ZINC000775782188 585684518 /nfs/dbraw/zinc/68/45/18/585684518.db2.gz CZNNOIROYYOAGV-MWLCHTKSSA-N -1 3 235.331 2.111 20 0 BEADHM CCOCCOC(=O)c1cccc(Cl)c1[O-] ZINC000775928204 585687087 /nfs/dbraw/zinc/68/70/87/585687087.db2.gz APKIUNGWJBVFSM-UHFFFAOYSA-N -1 3 244.674 2.239 20 0 BEADHM Cc1cccc(F)c1[N-]C(=O)c1cccc[n+]1[O-] ZINC000777829755 585720777 /nfs/dbraw/zinc/72/07/77/585720777.db2.gz OJBNUWCIRQWMSU-UHFFFAOYSA-N -1 3 246.241 2.020 20 0 BEADHM O=C([N-]OC1CCCCC1)[C@@H]1CCSC1 ZINC000777962967 585724377 /nfs/dbraw/zinc/72/43/77/585724377.db2.gz HHBGQPDFRPZLMC-SECBINFHSA-N -1 3 229.345 2.120 20 0 BEADHM CCCC[C@H](CC)COC(=O)c1cnn[n-]1 ZINC000805607480 585735021 /nfs/dbraw/zinc/73/50/21/585735021.db2.gz LMSHXLGPHNBIMG-VIFPVBQESA-N -1 3 225.292 2.178 20 0 BEADHM CCCC[C@H](CC)COC(=O)c1c[n-]nn1 ZINC000805607480 585735022 /nfs/dbraw/zinc/73/50/22/585735022.db2.gz LMSHXLGPHNBIMG-VIFPVBQESA-N -1 3 225.292 2.178 20 0 BEADHM CS/C=C/C(=O)[N-]OC1CCCCC1 ZINC000779322581 585750924 /nfs/dbraw/zinc/75/09/24/585750924.db2.gz 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Cc1ccc([O-])c(C(=O)NOCCC2CC2)c1 ZINC000817413205 586801569 /nfs/dbraw/zinc/80/15/69/586801569.db2.gz QBMSLRQQBLFEPH-UHFFFAOYSA-N -1 3 235.283 2.162 20 0 BEADHM O=C(CC[C@@H]1CCCCO1)[N-]OCCC1CC1 ZINC000817413201 586801848 /nfs/dbraw/zinc/80/18/48/586801848.db2.gz PXBBWBMDBUHJDG-LBPRGKRZSA-N -1 3 241.331 2.184 20 0 BEADHM O=C(C[C@H]1C=CCC1)[N-]OCCC1CC1 ZINC000817413181 586801901 /nfs/dbraw/zinc/80/19/01/586801901.db2.gz PBGOMNPANPFDJU-NSHDSACASA-N -1 3 209.289 2.191 20 0 BEADHM O=C(CCCn1cccc1)[N-]OCCC1CC1 ZINC000817413001 586802016 /nfs/dbraw/zinc/80/20/16/586802016.db2.gz LIUDGZOPMXOHBM-UHFFFAOYSA-N -1 3 236.315 2.116 20 0 BEADHM O=C(CC1CCCC1)[N-]OCCC1CC1 ZINC000817416422 586802390 /nfs/dbraw/zinc/80/23/90/586802390.db2.gz FWMNXBALUCMPMH-UHFFFAOYSA-N -1 3 211.305 2.415 20 0 BEADHM O=C(CCc1ccccc1O)[N-]OCCC1CC1 ZINC000817436858 586805603 /nfs/dbraw/zinc/80/56/03/586805603.db2.gz BEQNMRBYITVCSA-UHFFFAOYSA-N -1 3 249.310 2.173 20 0 BEADHM CCC1(C(=O)[N-]OCCC2CC2)CCOCC1 ZINC000817436872 586805640 /nfs/dbraw/zinc/80/56/40/586805640.db2.gz BVRDJQATZPTNKD-UHFFFAOYSA-N -1 3 241.331 2.041 20 0 BEADHM CN(C(=O)c1ccc(N)cc1[O-])C1CCCCC1 ZINC000817903266 586835948 /nfs/dbraw/zinc/83/59/48/586835948.db2.gz LPRBQDHKLPLUPZ-UHFFFAOYSA-N -1 3 248.326 2.379 20 0 BEADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(N)cc1[O-] ZINC000817904209 586836624 /nfs/dbraw/zinc/83/66/24/586836624.db2.gz AGTHVPQIBGEABJ-NXEZZACHSA-N -1 3 248.326 2.378 20 0 BEADHM CCC[C@H](C)N(C)C(=O)c1ccc(N)cc1[O-] ZINC000817920068 586840747 /nfs/dbraw/zinc/84/07/47/586840747.db2.gz AHBDLGOVISQGPP-VIFPVBQESA-N -1 3 236.315 2.235 20 0 BEADHM CCCCN(C(=O)c1ccc(N)cc1[O-])C1CC1 ZINC000817918398 586840752 /nfs/dbraw/zinc/84/07/52/586840752.db2.gz IZLJJNSHEDWGSL-UHFFFAOYSA-N -1 3 248.326 2.379 20 0 BEADHM C[C@@H]1CCCN(C(=O)c2ccc(N)cc2[O-])CC1 ZINC000817928351 586842596 /nfs/dbraw/zinc/84/25/96/586842596.db2.gz VMISIYIGVIQPPG-SNVBAGLBSA-N -1 3 248.326 2.237 20 0 BEADHM CCCC(C)(C)NC(=O)c1ccc(N)cc1[O-] ZINC000817932123 586842819 /nfs/dbraw/zinc/84/28/19/586842819.db2.gz QKTOLBXSULQSAS-UHFFFAOYSA-N -1 3 236.315 2.283 20 0 BEADHM CC1(C)CCC[C@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000817944088 586846452 /nfs/dbraw/zinc/84/64/52/586846452.db2.gz XGCMEVBLEUPSPM-GFCCVEGCSA-N -1 3 248.326 2.283 20 0 BEADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(N)cc1[O-] ZINC000817999118 586863400 /nfs/dbraw/zinc/86/34/00/586863400.db2.gz NAVWMFQLOOILEZ-KOLCDFICSA-N -1 3 248.326 2.378 20 0 BEADHM CCOC([O-])=NOCCOc1ccccc1C ZINC000818106370 586873748 /nfs/dbraw/zinc/87/37/48/586873748.db2.gz QFKTYHGNVIZDGT-UHFFFAOYSA-N -1 3 239.271 2.052 20 0 BEADHM CCOC(=O)[N-]OCCOc1ccccc1C ZINC000818106370 586873750 /nfs/dbraw/zinc/87/37/50/586873750.db2.gz QFKTYHGNVIZDGT-UHFFFAOYSA-N -1 3 239.271 2.052 20 0 BEADHM CCOC([O-])=NOC[C@H]1CCC[C@@H](C)C1 ZINC000818107161 586874164 /nfs/dbraw/zinc/87/41/64/586874164.db2.gz KUKGRNHTYADHNV-ZJUUUORDSA-N -1 3 215.293 2.490 20 0 BEADHM CCOC(=O)[N-]OC[C@H]1CCC[C@@H](C)C1 ZINC000818107161 586874165 /nfs/dbraw/zinc/87/41/65/586874165.db2.gz KUKGRNHTYADHNV-ZJUUUORDSA-N -1 3 215.293 2.490 20 0 BEADHM CCOC([O-])=NOC[C@H]1CCC[C@H](C)C1 ZINC000818107159 586874343 /nfs/dbraw/zinc/87/43/43/586874343.db2.gz KUKGRNHTYADHNV-UWVGGRQHSA-N -1 3 215.293 2.490 20 0 BEADHM CCOC(=O)[N-]OC[C@H]1CCC[C@H](C)C1 ZINC000818107159 586874345 /nfs/dbraw/zinc/87/43/45/586874345.db2.gz KUKGRNHTYADHNV-UWVGGRQHSA-N -1 3 215.293 2.490 20 0 BEADHM CCC(CC)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819763933 586990885 /nfs/dbraw/zinc/99/08/85/586990885.db2.gz IUFBPTGLQZGEEU-SSDOTTSWSA-N -1 3 214.334 2.030 20 0 BEADHM CC(C)(C)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC000819914568 587002017 /nfs/dbraw/zinc/00/20/17/587002017.db2.gz XJMFIPJXODMGLY-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CC(C)(C)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC000819914568 587002019 /nfs/dbraw/zinc/00/20/19/587002019.db2.gz XJMFIPJXODMGLY-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CC(C)N(CC(=O)[O-])Cc1ccnc(Cl)c1 ZINC000820014850 587012688 /nfs/dbraw/zinc/01/26/88/587012688.db2.gz CUGBXFMFANVBPA-UHFFFAOYSA-N -1 3 242.706 2.030 20 0 BEADHM CC(C)[C@@H](C)Sc1ncccc1-c1nnn[n-]1 ZINC000820020313 587013746 /nfs/dbraw/zinc/01/37/46/587013746.db2.gz DOTLZAIVWWYCNE-MRVPVSSYSA-N -1 3 249.343 2.398 20 0 BEADHM CC(C)[C@@H](C)Sc1ncccc1-c1nn[n-]n1 ZINC000820020313 587013749 /nfs/dbraw/zinc/01/37/49/587013749.db2.gz DOTLZAIVWWYCNE-MRVPVSSYSA-N -1 3 249.343 2.398 20 0 BEADHM CC(C)c1ncc(CN(C)CCC(=O)[O-])s1 ZINC000820061336 587016214 /nfs/dbraw/zinc/01/62/14/587016214.db2.gz FLNNUWWRWAWCOM-UHFFFAOYSA-N -1 3 242.344 2.173 20 0 BEADHM C[C@H](CC(=O)[O-])N[C@@H](C)c1cccc(F)c1F ZINC000820071957 587017192 /nfs/dbraw/zinc/01/71/92/587017192.db2.gz LLCDFKSRAAHJAP-SFYZADRCSA-N -1 3 243.253 2.479 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)CCc1cc(C)on1 ZINC000820279820 587040199 /nfs/dbraw/zinc/04/01/99/587040199.db2.gz RWJRRVMWYGZBCD-VIFPVBQESA-N -1 3 240.303 2.010 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)CCc1cc(C)on1 ZINC000820279819 587040498 /nfs/dbraw/zinc/04/04/98/587040498.db2.gz RWJRRVMWYGZBCD-SECBINFHSA-N -1 3 240.303 2.010 20 0 BEADHM CCO[N-]C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000820517447 587052242 /nfs/dbraw/zinc/05/22/42/587052242.db2.gz GPOAIDBGTLLNQY-AAEUAGOBSA-N -1 3 249.310 2.257 20 0 BEADHM CC1(C)CCN(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820595233 587057638 /nfs/dbraw/zinc/05/76/38/587057638.db2.gz FWTCYRMGVADJRJ-UHFFFAOYSA-N -1 3 243.314 2.103 20 0 BEADHM CC1(C)CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820595233 587057639 /nfs/dbraw/zinc/05/76/39/587057639.db2.gz FWTCYRMGVADJRJ-UHFFFAOYSA-N -1 3 243.314 2.103 20 0 BEADHM C[C@H]1C[C@@H]1Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820678813 587065655 /nfs/dbraw/zinc/06/56/55/587065655.db2.gz YPFLCMDCVFGIRP-RCOVLWMOSA-N -1 3 249.705 2.340 20 0 BEADHM C[C@H]1C[C@@H]1Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820678813 587065657 /nfs/dbraw/zinc/06/56/57/587065657.db2.gz YPFLCMDCVFGIRP-RCOVLWMOSA-N -1 3 249.705 2.340 20 0 BEADHM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)[C@H]1C ZINC000820728842 587068951 /nfs/dbraw/zinc/06/89/51/587068951.db2.gz ZECUOIYCUKWUBC-UWVGGRQHSA-N -1 3 243.314 2.101 20 0 BEADHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC000820728842 587068953 /nfs/dbraw/zinc/06/89/53/587068953.db2.gz ZECUOIYCUKWUBC-UWVGGRQHSA-N -1 3 243.314 2.101 20 0 BEADHM CC[C@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC000820876887 587078951 /nfs/dbraw/zinc/07/89/51/587078951.db2.gz VOEPOSJNMQASEC-QMMMGPOBSA-N -1 3 249.293 2.241 20 0 BEADHM CC[C@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC000820876887 587078953 /nfs/dbraw/zinc/07/89/53/587078953.db2.gz VOEPOSJNMQASEC-QMMMGPOBSA-N -1 3 249.293 2.241 20 0 BEADHM Cc1ncoc1-c1noc(-c2ccccc2[O-])n1 ZINC000820902393 587080688 /nfs/dbraw/zinc/08/06/88/587080688.db2.gz BOFDLJTYNCYZLI-UHFFFAOYSA-N -1 3 243.222 2.406 20 0 BEADHM CCC[C@H]1CCC[C@@H]1C(=O)[N-]C1=NCCS1 ZINC000822234363 587158918 /nfs/dbraw/zinc/15/89/18/587158918.db2.gz PVQPDHMFTCYTAN-UWVGGRQHSA-N -1 3 240.372 2.422 20 0 BEADHM Cc1cn(CCC(C)C)cc1-c1nnn[n-]1 ZINC000822384322 587164865 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/nfs/dbraw/zinc/09/05/41/589090541.db2.gz FEZSTROKNFEHAT-NKWVEPMBSA-N -1 3 242.706 2.438 20 0 BEADHM CCc1[n-]nc(Cl)c1C(=O)OC[C@H]1C[C@@H]1C ZINC000860221170 589090543 /nfs/dbraw/zinc/09/05/43/589090543.db2.gz FEZSTROKNFEHAT-NKWVEPMBSA-N -1 3 242.706 2.438 20 0 BEADHM CC(C)O[N-]C(=O)Cc1cccc2ncccc12 ZINC000823302247 587214831 /nfs/dbraw/zinc/21/48/31/587214831.db2.gz LUTHAIYXGUGJNC-UHFFFAOYSA-N -1 3 244.294 2.234 20 0 BEADHM CCC(F)(F)C(=O)[N-]Cc1cnc(C)s1 ZINC000823459282 587224118 /nfs/dbraw/zinc/22/41/18/587224118.db2.gz DMTLIVPNZHLBSB-UHFFFAOYSA-N -1 3 234.271 2.113 20 0 BEADHM CC[C@H](CC(C)C)C(=O)[N-]C1=NCCS1 ZINC000823671934 587235965 /nfs/dbraw/zinc/23/59/65/587235965.db2.gz XYQWUFSKZUWOQC-SECBINFHSA-N -1 3 228.361 2.278 20 0 BEADHM c1cc(-c2nnn[n-]2)ncc1NC1CCCCC1 ZINC000823748463 587239194 /nfs/dbraw/zinc/23/91/94/587239194.db2.gz YBUGGIKXCHAWAV-UHFFFAOYSA-N -1 3 244.302 2.006 20 0 BEADHM c1cc(-c2nn[n-]n2)ncc1NC1CCCCC1 ZINC000823748463 587239195 /nfs/dbraw/zinc/23/91/95/587239195.db2.gz YBUGGIKXCHAWAV-UHFFFAOYSA-N -1 3 244.302 2.006 20 0 BEADHM CC1(Nc2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC000824839108 587289828 /nfs/dbraw/zinc/28/98/28/587289828.db2.gz YVNJPEXLWKZVCV-UHFFFAOYSA-N -1 3 247.277 2.360 20 0 BEADHM CC1(Nc2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC000824839108 587289829 /nfs/dbraw/zinc/28/98/29/587289829.db2.gz YVNJPEXLWKZVCV-UHFFFAOYSA-N -1 3 247.277 2.360 20 0 BEADHM CC(C)[C@H](CN[C@@H](C)c1ccoc1)NC(=O)[O-] ZINC000825486324 587319688 /nfs/dbraw/zinc/31/96/88/587319688.db2.gz WPQISOXKJLMYJX-ONGXEEELSA-N -1 3 240.303 2.222 20 0 BEADHM C[C@H](NC1CCN(C(=O)[O-])CC1)c1ccoc1 ZINC000825478604 587320553 /nfs/dbraw/zinc/32/05/53/587320553.db2.gz ICGBEKJFZZZSPK-VIFPVBQESA-N -1 3 238.287 2.073 20 0 BEADHM C[C@@H](NCC(C)(C)NC(=O)[O-])c1ccsc1 ZINC000825485579 587320835 /nfs/dbraw/zinc/32/08/35/587320835.db2.gz PHNNQCUFYVANHZ-MRVPVSSYSA-N -1 3 242.344 2.445 20 0 BEADHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccoc1 ZINC000825479745 587321049 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C[C@H](CSCCc1nnn[n-]1)C(C)(C)C ZINC000882190703 591314457 /nfs/dbraw/zinc/31/44/57/591314457.db2.gz LZKIDUXSQKSUQV-MRVPVSSYSA-N -1 3 228.365 2.158 20 0 BEADHM C[C@H](CSCCc1nn[n-]n1)C(C)(C)C ZINC000882190703 591314460 /nfs/dbraw/zinc/31/44/60/591314460.db2.gz LZKIDUXSQKSUQV-MRVPVSSYSA-N -1 3 228.365 2.158 20 0 BEADHM CC1(C)CCCC[C@H]1Cn1c([O-])coc1=O ZINC000882276404 591324745 /nfs/dbraw/zinc/32/47/45/591324745.db2.gz IPXTYEVNOVWHAR-VIFPVBQESA-N -1 3 225.288 2.182 20 0 BEADHM CC(C)(C)C(=O)[N-]OCc1cnc(C2CC2)o1 ZINC000882966685 591487133 /nfs/dbraw/zinc/48/71/33/591487133.db2.gz LPGHVAFYPHDTPF-UHFFFAOYSA-N -1 3 238.287 2.146 20 0 BEADHM CCOC([O-])=NOCC[C@@H]1CCCC1(F)F ZINC000882995043 591499379 /nfs/dbraw/zinc/49/93/79/591499379.db2.gz GPCVUNZMXKDHKZ-QMMMGPOBSA-N -1 3 237.246 2.490 20 0 BEADHM CCOC(=O)[N-]OCC[C@@H]1CCCC1(F)F ZINC000882995043 591499383 /nfs/dbraw/zinc/49/93/83/591499383.db2.gz GPCVUNZMXKDHKZ-QMMMGPOBSA-N -1 3 237.246 2.490 20 0 BEADHM COCc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000131748672 591651723 /nfs/dbraw/zinc/65/17/23/591651723.db2.gz FIGDUIRPKPOZPU-VOTSOKGWSA-N -1 3 242.278 2.087 20 0 BEADHM CC1(C(=O)[N-]OCC(F)(F)F)CCCC1 ZINC000135220560 591998129 /nfs/dbraw/zinc/99/81/29/591998129.db2.gz YSAIAYKKYDENRK-UHFFFAOYSA-N -1 3 225.210 2.177 20 0 BEADHM COc1ccc(NC(=O)C=C2CCC2)c([O-])c1 ZINC000135453463 592013193 /nfs/dbraw/zinc/01/31/93/592013193.db2.gz FDLCJXVYTKXFEW-UHFFFAOYSA-N -1 3 233.267 2.450 20 0 BEADHM CC(F)(F)C(=O)[N-][C@H]1CCCc2cccnc21 ZINC000885385499 592074747 /nfs/dbraw/zinc/07/47/47/592074747.db2.gz NCAQCXUKZCULOC-VIFPVBQESA-N -1 3 240.253 2.230 20 0 BEADHM O=C([O-])CC[C@@H]1CCCN(C/C=C\Cl)C1 ZINC000218456995 592156676 /nfs/dbraw/zinc/15/66/76/592156676.db2.gz LLPLVLYYCVYBPR-RILPQGNRSA-N -1 3 231.723 2.316 20 0 BEADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1cncc([O-])c1 ZINC000886276325 592196605 /nfs/dbraw/zinc/19/66/05/592196605.db2.gz DVLVKACWSLTODW-TZMCWYRMSA-N -1 3 248.326 2.086 20 0 BEADHM O=C(CC1CCCCC1)NCc1cncc([O-])c1 ZINC000886283336 592199241 /nfs/dbraw/zinc/19/92/41/592199241.db2.gz QESNUNZVXBQGPG-UHFFFAOYSA-N -1 3 248.326 2.374 20 0 BEADHM C[C@H]1CCc2[n-]n(C3CCSCC3)c(=O)c21 ZINC000887293066 592477429 /nfs/dbraw/zinc/47/74/29/592477429.db2.gz QLYPMZRPOSHMDP-GZMMTYOYSA-N -1 3 238.356 2.126 20 0 BEADHM Cc1[n-]n([C@H]2CCCSC2)c(=O)c1C1CC1 ZINC000887299051 592479618 /nfs/dbraw/zinc/47/96/18/592479618.db2.gz NWZPUTGDYXYQHM-QWRGUYRKSA-N -1 3 238.356 2.126 20 0 BEADHM C[C@H](CC(=O)[O-])N[C@@H](C)c1c(F)cccc1F ZINC000738892470 597008475 /nfs/dbraw/zinc/00/84/75/597008475.db2.gz VAMGSHBFRKWNJS-SFYZADRCSA-N -1 3 243.253 2.479 20 0 BEADHM C[C@@H](N[C@@H](C)CC(=O)[O-])c1c(F)cccc1F ZINC000738892469 597008678 /nfs/dbraw/zinc/00/86/78/597008678.db2.gz VAMGSHBFRKWNJS-JGVFFNPUSA-N -1 3 243.253 2.479 20 0 BEADHM CC(C)(NCCCCC(=O)[O-])c1nccs1 ZINC000230043560 597794867 /nfs/dbraw/zinc/79/48/67/597794867.db2.gz RJGKRNFAUQIGJF-UHFFFAOYSA-N -1 3 242.344 2.223 20 0 BEADHM Cc1nc([C@H](C)N[C@H](C(=O)[O-])C(C)C)cs1 ZINC000043430772 598196453 /nfs/dbraw/zinc/19/64/53/598196453.db2.gz MRMGWCNKECJFKA-XVKPBYJWSA-N -1 3 242.344 2.211 20 0 BEADHM Cc1nc([C@H](C)N[C@@H](C(=O)[O-])C(C)C)cs1 ZINC000043430774 598197350 /nfs/dbraw/zinc/19/73/50/598197350.db2.gz MRMGWCNKECJFKA-OIBJUYFYSA-N -1 3 242.344 2.211 20 0 BEADHM Clc1ccc(-c2nnn[n-]2)c(NC2CC2)c1 ZINC000095141777 599392264 /nfs/dbraw/zinc/39/22/64/599392264.db2.gz CKNJZJNRSBFMDJ-UHFFFAOYSA-N -1 3 235.678 2.094 20 0 BEADHM Clc1ccc(-c2nn[n-]n2)c(NC2CC2)c1 ZINC000095141777 599392265 /nfs/dbraw/zinc/39/22/65/599392265.db2.gz CKNJZJNRSBFMDJ-UHFFFAOYSA-N -1 3 235.678 2.094 20 0 BEADHM c1cc(-c2nn[n-]n2)ccc1NCCCC1CC1 ZINC000738412766 599443383 /nfs/dbraw/zinc/44/33/83/599443383.db2.gz NFOWVQVIZRZQJG-UHFFFAOYSA-N -1 3 243.314 2.469 20 0 BEADHM C=CCCCN(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000095294441 599472119 /nfs/dbraw/zinc/47/21/19/599472119.db2.gz RRAHVPYGNUHZFY-UHFFFAOYSA-N -1 3 243.314 2.269 20 0 BEADHM O=C([O-])N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000739927709 599742308 /nfs/dbraw/zinc/74/23/08/599742308.db2.gz DTUJYWLKDHEBDQ-ZDUSSCGKSA-N -1 3 248.326 2.481 20 0 BEADHM CCCN(CC(=O)[O-])Cc1ccncc1Cl ZINC000084085745 600818310 /nfs/dbraw/zinc/81/83/10/600818310.db2.gz SGXUOEPSKCSUJD-UHFFFAOYSA-N -1 3 242.706 2.032 20 0 BEADHM O=C([O-])c1sccc1CN1C[C@H]2CCC[C@H]21 ZINC000706961666 602207229 /nfs/dbraw/zinc/20/72/29/602207229.db2.gz FREXWUNKBBVPQA-PSASIEDQSA-N -1 3 237.324 2.431 20 0 BEADHM O=C([O-])c1ccc(CN2C[C@H]3CCC[C@H]32)s1 ZINC000706964308 602208289 /nfs/dbraw/zinc/20/82/89/602208289.db2.gz JSIINYHMYQIZPA-PSASIEDQSA-N -1 3 237.324 2.431 20 0 BEADHM CN(CCCC(=O)[O-])Cc1nc2ccccc2o1 ZINC000042718181 602386760 /nfs/dbraw/zinc/38/67/60/602386760.db2.gz VPGHCWRLTAQCSU-UHFFFAOYSA-N -1 3 248.282 2.124 20 0 BEADHM CC(C)C[C@H](CNC(=O)[O-])NCc1ccco1 ZINC000738811874 602571181 /nfs/dbraw/zinc/57/11/81/602571181.db2.gz OSPTVZGXTZWRTL-SNVBAGLBSA-N -1 3 240.303 2.052 20 0 BEADHM CCCN(C/C=C/Cl)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739358942 602578411 /nfs/dbraw/zinc/57/84/11/602578411.db2.gz SKCCSDIGFHSOEM-RXNUUUNCSA-N -1 3 246.738 2.203 20 0 BEADHM C[C@@H](CCNCc1ccc(Cl)o1)NC(=O)[O-] ZINC000738906127 602650274 /nfs/dbraw/zinc/65/02/74/602650274.db2.gz MYBYODARVDOKGS-ZETCQYMHSA-N -1 3 246.694 2.069 20 0 BEADHM O=C([O-])NCCN1CCC(c2ccccc2)CC1 ZINC000740659872 603082590 /nfs/dbraw/zinc/08/25/90/603082590.db2.gz XBPANZKRYOZYOF-UHFFFAOYSA-N -1 3 248.326 2.134 20 0 BEADHM Cc1nc(CNC(C)(C)CC(=O)[O-])sc1C ZINC000719570261 604442801 /nfs/dbraw/zinc/44/28/01/604442801.db2.gz IPCLGBAXAUSHCN-UHFFFAOYSA-N -1 3 242.344 2.103 20 0 BEADHM Cc1ccc(F)c(CN(C)C[C@H](C)C(=O)[O-])c1 ZINC000235089242 604582288 /nfs/dbraw/zinc/58/22/88/604582288.db2.gz AGNZIPRHDQUPJZ-JTQLQIEISA-N -1 3 239.290 2.287 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)cc1NCC(C)C ZINC000095341933 606453157 /nfs/dbraw/zinc/45/31/57/606453157.db2.gz LXMPWWJLNRRMLD-UHFFFAOYSA-N -1 3 231.303 2.243 20 0 BEADHM Cc1ccc(-c2nn[n-]n2)cc1NCC(C)C ZINC000095341933 606453158 /nfs/dbraw/zinc/45/31/58/606453158.db2.gz LXMPWWJLNRRMLD-UHFFFAOYSA-N -1 3 231.303 2.243 20 0 BEADHM CC[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000095274735 606701045 /nfs/dbraw/zinc/70/10/45/606701045.db2.gz YERDEQLUGGGNCC-VIFPVBQESA-N -1 3 232.287 2.292 20 0 BEADHM CC[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000095274735 606701046 /nfs/dbraw/zinc/70/10/46/606701046.db2.gz YERDEQLUGGGNCC-VIFPVBQESA-N -1 3 232.287 2.292 20 0 BEADHM CCCCOc1ccc(-c2nnn[n-]2)cc1F ZINC000095289043 607137121 /nfs/dbraw/zinc/13/71/21/607137121.db2.gz DBABVYKHIPTOPW-UHFFFAOYSA-N -1 3 236.250 2.185 20 0 BEADHM CCCCOc1ccc(-c2nn[n-]n2)cc1F ZINC000095289043 607137123 /nfs/dbraw/zinc/13/71/23/607137123.db2.gz DBABVYKHIPTOPW-UHFFFAOYSA-N -1 3 236.250 2.185 20 0 BEADHM CCC(CC)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC000095284969 607225562 /nfs/dbraw/zinc/22/55/62/607225562.db2.gz FHEVORMYGNBUJT-UHFFFAOYSA-N -1 3 246.318 2.171 20 0 BEADHM CCC(CC)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC000095284969 607225563 /nfs/dbraw/zinc/22/55/63/607225563.db2.gz FHEVORMYGNBUJT-UHFFFAOYSA-N -1 3 246.318 2.171 20 0 BEADHM CC[C@H](CC(=O)[N-]OC[C@H]1CCOC1)C(C)C ZINC000187954529 631217992 /nfs/dbraw/zinc/21/79/92/631217992.db2.gz OODFEMXMCXAXNN-NWDGAFQWSA-N -1 3 243.347 2.143 20 0 BEADHM Cc1nc(N2CCCc3occc3C2)cc(=O)[n-]1 ZINC000893898748 635634723 /nfs/dbraw/zinc/63/47/23/635634723.db2.gz VNPVHYWBZPVFMS-UHFFFAOYSA-N -1 3 245.282 2.036 20 0 BEADHM CSCCCCCCNc1cc(=O)[n-]cn1 ZINC000235024897 631784071 /nfs/dbraw/zinc/78/40/71/631784071.db2.gz PGWKFKYRQCKPAY-UHFFFAOYSA-N -1 3 241.360 2.105 20 0 BEADHM CC[C@](C)(O)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000935017584 632415664 /nfs/dbraw/zinc/41/56/64/632415664.db2.gz PUCBHVZPLMFLFF-NSHDSACASA-N -1 3 243.690 2.145 20 0 BEADHM O=C([O-])c1cc(CNCCC2CCCC2)on1 ZINC000236470944 632944009 /nfs/dbraw/zinc/94/40/09/632944009.db2.gz JXBMLVRJTOMEMA-UHFFFAOYSA-N -1 3 238.287 2.043 20 0 BEADHM Cc1ccc([C@@H](C)Nc2cc(=O)[n-]cn2)s1 ZINC000165779852 633098712 /nfs/dbraw/zinc/09/87/12/633098712.db2.gz ZSSOBHMPKFDMFU-MRVPVSSYSA-N -1 3 235.312 2.313 20 0 BEADHM Cc1nc(NC[C@H]2CCCCS2)cc(=O)[n-]1 ZINC000165872236 633100537 /nfs/dbraw/zinc/10/05/37/633100537.db2.gz WCULHNYLWJYOFL-SECBINFHSA-N -1 3 239.344 2.188 20 0 BEADHM C[C@@H]1CN(c2cc(=O)[n-]cn2)[C@H]2CCCC[C@@H]12 ZINC000893121883 633843557 /nfs/dbraw/zinc/84/35/57/633843557.db2.gz UCLIWNWMEDINTJ-VWYCJHECSA-N -1 3 233.315 2.197 20 0 BEADHM C[C@@H]1CN(c2cc(=O)[n-]cn2)CC(C)(C)C1 ZINC000893135446 633846642 /nfs/dbraw/zinc/84/66/42/633846642.db2.gz MPDGIWKAKRQEGD-VIFPVBQESA-N -1 3 221.304 2.055 20 0 BEADHM O=C([N-]CCCOC1CCCC1)C(F)(F)F ZINC000725893921 634024813 /nfs/dbraw/zinc/02/48/13/634024813.db2.gz YRAHHXQCRPLWHG-UHFFFAOYSA-N -1 3 239.237 2.014 20 0 BEADHM CCc1ccc(C(=O)NN2CCCCC2)c([O-])c1 ZINC000188649489 634151032 /nfs/dbraw/zinc/15/10/32/634151032.db2.gz OPRPHLPNNHPYNM-UHFFFAOYSA-N -1 3 248.326 2.085 20 0 BEADHM CCC(C)(C)CC(=O)[N-]OCc1ccccn1 ZINC000909533359 636191800 /nfs/dbraw/zinc/19/18/00/636191800.db2.gz AOCRSFVTVGDGCR-UHFFFAOYSA-N -1 3 236.315 2.456 20 0 BEADHM C[C@@H]1CCC[C@@H]1CC(=O)[N-]OCc1ccccn1 ZINC000909540048 636233255 /nfs/dbraw/zinc/23/32/55/636233255.db2.gz KUWNVKMBABWPPZ-VXGBXAGGSA-N -1 3 248.326 2.456 20 0 BEADHM Cc1occc1CN(CCC(=O)[O-])C1CC1 ZINC000321514827 636649304 /nfs/dbraw/zinc/64/93/04/636649304.db2.gz NINNEWOIYFJCBT-UHFFFAOYSA-N -1 3 223.272 2.027 20 0 BEADHM O=C([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000905811374 637936824 /nfs/dbraw/zinc/93/68/24/637936824.db2.gz UANBTTZZCSLIQR-PWSUYJOCSA-N -1 3 249.310 2.125 20 0 BEADHM COc1cccc([O-])c1C(=O)N1[C@H](C)C[C@@H]1C ZINC000907877220 638498272 /nfs/dbraw/zinc/49/82/72/638498272.db2.gz YWZXOLIMJYDKMF-DTORHVGOSA-N -1 3 235.283 2.024 20 0 BEADHM CCN(CC)Cc1cc(C)c(C(=O)[O-])o1 ZINC000036812740 711465073 /nfs/dbraw/zinc/46/50/73/711465073.db2.gz FHMTYRWKXXSSLE-UHFFFAOYSA-N -1 3 211.261 2.128 20 0 BEADHM C[C@H]1CCCCN1[N-]C(=O)C(C)(Cl)Cl ZINC000912148490 639974803 /nfs/dbraw/zinc/97/48/03/639974803.db2.gz RDYMCXINMQYYGJ-ZETCQYMHSA-N -1 3 239.146 2.086 20 0 BEADHM O=c1cc(N[C@@H]2CCCc3sccc32)nc[n-]1 ZINC000163878940 640424808 /nfs/dbraw/zinc/42/48/08/640424808.db2.gz MHLJKMBYGLBDBF-SECBINFHSA-N -1 3 247.323 2.321 20 0 BEADHM O=c1cc(N[C@H]2CCCc3sccc32)nc[n-]1 ZINC000163879056 640426260 /nfs/dbraw/zinc/42/62/60/640426260.db2.gz MHLJKMBYGLBDBF-VIFPVBQESA-N -1 3 247.323 2.321 20 0 BEADHM CSCCCCNc1cc(=O)[n-]c(C)n1 ZINC000165941952 640602995 /nfs/dbraw/zinc/60/29/95/640602995.db2.gz LQXQVXKWVLLXDD-UHFFFAOYSA-N -1 3 227.333 2.046 20 0 BEADHM CC(C)=CCNCc1ccoc1C(=O)[O-] ZINC000229185057 640931597 /nfs/dbraw/zinc/93/15/97/640931597.db2.gz SRJUXWRUEKZJNR-UHFFFAOYSA-N -1 3 209.245 2.034 20 0 BEADHM CO[N-]C(=O)CCc1cc(Cl)cs1 ZINC000076562315 641179443 /nfs/dbraw/zinc/17/94/43/641179443.db2.gz SEZRWGYTVYEDRL-UHFFFAOYSA-N -1 3 219.693 2.012 20 0 BEADHM C[C@@H]1CN(Cc2ccc([O-])c(F)c2)[C@@H](C)CO1 ZINC000232449653 641272863 /nfs/dbraw/zinc/27/28/63/641272863.db2.gz BNYJRGICVCEFDK-VHSXEESVSA-N -1 3 239.290 2.141 20 0 BEADHM C[C@H]1CN(Cc2ccc([O-])c(F)c2)[C@@H](C)CO1 ZINC000232449655 641274343 /nfs/dbraw/zinc/27/43/43/641274343.db2.gz BNYJRGICVCEFDK-UWVGGRQHSA-N -1 3 239.290 2.141 20 0 BEADHM CC1(CCC(=O)[N-]OCc2cccnc2)CC1 ZINC000935017065 641319092 /nfs/dbraw/zinc/31/90/92/641319092.db2.gz NVXIRZFNOKQAJR-UHFFFAOYSA-N -1 3 234.299 2.210 20 0 BEADHM CCc1onc(C)c1[N-]C(=O)c1coc(C=O)c1 ZINC000935121436 641343377 /nfs/dbraw/zinc/34/33/77/641343377.db2.gz UNYUCANWETZTOT-UHFFFAOYSA-N -1 3 248.238 2.203 20 0 BEADHM CC1(C(=O)[N-]OC/C=C/Cl)CC=CC1 ZINC000936060408 641527088 /nfs/dbraw/zinc/52/70/88/641527088.db2.gz STAICMIAHLRIEB-QPJJXVBHSA-N -1 3 215.680 2.143 20 0 BEADHM C[C@@H](N(C)Cc1cc(C(=O)[O-])no1)C(C)(C)C ZINC000042771172 641558548 /nfs/dbraw/zinc/55/85/48/641558548.db2.gz DURMNCJYQIQKIF-MRVPVSSYSA-N -1 3 240.303 2.239 20 0 BEADHM C[C@H](NC[C@H]1C[C@H]1C)c1ncc(C(=O)[O-])s1 ZINC000314803619 641579741 /nfs/dbraw/zinc/57/97/41/641579741.db2.gz NNSGHBOLNMPVSZ-GJMOJQLCSA-N -1 3 240.328 2.148 20 0 BEADHM CC[C@@H](CC(=O)[N-]OC[C@H]1CCOC1)C(C)C 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211.305 2.271 20 0 BEADHM COc1ccc(C)cc1CC(=O)[N-]OCC1CC1 ZINC000817358207 644974723 /nfs/dbraw/zinc/97/47/23/644974723.db2.gz NUGFCEBGVOGNEB-UHFFFAOYSA-N -1 3 249.310 2.004 20 0 BEADHM CC(C)=CC(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837332136 645195838 /nfs/dbraw/zinc/19/58/38/645195838.db2.gz YXJMRSXIOLPZOC-UHFFFAOYSA-N -1 3 248.282 2.069 20 0 BEADHM Cc1noc(C(C)C)c1[N-]C(=O)c1ncccn1 ZINC000928780794 645857345 /nfs/dbraw/zinc/85/73/45/645857345.db2.gz PFMSIEIAESIZDG-UHFFFAOYSA-N -1 3 246.270 2.149 20 0 BEADHM CCC1(NCc2cc(C)c(C(=O)[O-])o2)CC1 ZINC000379708092 712392708 /nfs/dbraw/zinc/39/27/08/712392708.db2.gz DOIYFZZSDJMLCE-UHFFFAOYSA-N -1 3 223.272 2.318 20 0 BEADHM Cc1nc(NCC[C@@H]2CCCS2)cc(=O)[n-]1 ZINC000715636055 712528296 /nfs/dbraw/zinc/52/82/96/712528296.db2.gz LNXPKPNEGYJLBJ-VIFPVBQESA-N -1 3 239.344 2.188 20 0 BEADHM O=C([O-])Cc1ccccc1CN1CC=CCC1 ZINC000382525327 710945987 /nfs/dbraw/zinc/94/59/87/710945987.db2.gz FOPWXGLHQIALDF-UHFFFAOYSA-N -1 3 231.295 2.076 20 0 BEADHM O=C([O-])c1ccc(CN[C@H]2CC23CCCC3)o1 ZINC000395721665 711215640 /nfs/dbraw/zinc/21/56/40/711215640.db2.gz JNOVJJBEQRLJGK-NSHDSACASA-N -1 3 235.283 2.400 20 0 BEADHM C[C@@H]1CCN(Cc2cncc(C(=O)[O-])c2)[C@H](C)C1 ZINC000721545137 711621459 /nfs/dbraw/zinc/62/14/59/711621459.db2.gz FSPCFEHWWMLNCM-GHMZBOCLSA-N -1 3 248.326 2.400 20 0 BEADHM CCC[C@H](C)C(=O)[N-]OCCC(F)(F)F ZINC000162897528 711680815 /nfs/dbraw/zinc/68/08/15/711680815.db2.gz BOKYTUAKMJJZTI-ZETCQYMHSA-N -1 3 227.226 2.423 20 0 BEADHM Cc1nc(NC2CC3(CCC3)C2)cc(=O)[n-]1 ZINC000700087011 711985402 /nfs/dbraw/zinc/98/54/02/711985402.db2.gz XZZHCLPCXXNVBG-UHFFFAOYSA-N -1 3 219.288 2.235 20 0 BEADHM CC1(C)C[C@]1(C)NCc1cccc(C(=O)[O-])n1 ZINC000701962980 712033695 /nfs/dbraw/zinc/03/36/95/712033695.db2.gz ZIUAAZLTQPDUEP-ZDUSSCGKSA-N -1 3 234.299 2.058 20 0 BEADHM CCC[C@@H](CNc1cc(=O)[n-]c(C)n1)OCC ZINC000705329788 712128751 /nfs/dbraw/zinc/12/87/51/712128751.db2.gz XAJYXJORQTWSNS-JTQLQIEISA-N -1 3 239.319 2.108 20 0 BEADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@H](CF)C1 ZINC000711488612 712306474 /nfs/dbraw/zinc/30/64/74/712306474.db2.gz FBCQOXXKSMMXNK-SECBINFHSA-N -1 3 241.262 2.078 20 0 BEADHM COc1cccc([O-])c1C(=O)NC[C@H]1C=CCC1 ZINC000711709500 712320179 /nfs/dbraw/zinc/32/01/79/712320179.db2.gz ZFYGGCAHMYJGLL-JTQLQIEISA-N -1 3 247.294 2.097 20 0 BEADHM CCC1(NCc2cc(C(=O)[O-])c(C)o2)CC1 ZINC000379719158 712393112 /nfs/dbraw/zinc/39/31/12/712393112.db2.gz WAHYNXJDMFNTNG-UHFFFAOYSA-N -1 3 223.272 2.318 20 0 BEADHM c1coc(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000037102085 712539019 /nfs/dbraw/zinc/53/90/19/712539019.db2.gz PECDBKLLGVORLS-UHFFFAOYSA-N -1 3 241.254 2.072 20 0 BEADHM c1coc(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000037102085 712539020 /nfs/dbraw/zinc/53/90/20/712539020.db2.gz PECDBKLLGVORLS-UHFFFAOYSA-N -1 3 241.254 2.072 20 0 BEADHM O=C(NCCCCC1CC1)c1c([O-])cccc1O ZINC000716376652 712557401 /nfs/dbraw/zinc/55/74/01/712557401.db2.gz BAUNMHGUKLAYMN-UHFFFAOYSA-N -1 3 249.310 2.408 20 0 BEADHM O=C(CCCOc1ccccc1)[N-]OC1CCC1 ZINC000812787673 712586695 /nfs/dbraw/zinc/58/66/95/712586695.db2.gz CQWSCFPBVNMZKJ-UHFFFAOYSA-N -1 3 249.310 2.446 20 0 BEADHM O=c1cc(NCC[C@@H]2CC[C@H]3C[C@H]32)nc[n-]1 ZINC000717087883 712630201 /nfs/dbraw/zinc/63/02/01/712630201.db2.gz XTIZVHQDCRHKEW-GUBZILKMSA-N -1 3 219.288 2.030 20 0 BEADHM O=c1cc(NCC[C@@H]2CCC3(CCC3)O2)nc[n-]1 ZINC000717087020 712630208 /nfs/dbraw/zinc/63/02/08/712630208.db2.gz DZYLATKPIBQQHY-JTQLQIEISA-N -1 3 249.314 2.086 20 0 BEADHM COc1cccc([O-])c1C(=O)N[C@@H]1CC12CCC2 ZINC000721149435 712892655 /nfs/dbraw/zinc/89/26/55/712892655.db2.gz PJMLABZAXXXVPN-LLVKDONJSA-N -1 3 247.294 2.073 20 0 BEADHM CCCCCN(C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762166 958308549 /nfs/dbraw/zinc/30/85/49/958308549.db2.gz QBDOAGJUFFSYDJ-UHFFFAOYSA-N -1 3 236.315 2.402 20 0 BEADHM CC(C)([N-]C(=O)C(F)F)c1cc(Cl)ccn1 ZINC001142792531 961764675 /nfs/dbraw/zinc/76/46/75/961764675.db2.gz YQOBAPQOLSIUSO-UHFFFAOYSA-N -1 3 248.660 2.351 20 0 BEADHM CO[C@H](C)CN(C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000304569939 963150861 /nfs/dbraw/zinc/15/08/61/963150861.db2.gz HUEJGHOJGUIRBB-RKDXNWHRSA-N -1 3 241.287 2.006 20 0 BEADHM CCOCCc1c(F)cc([O-])cc1F ZINC001249939594 967181940 /nfs/dbraw/zinc/18/19/40/967181940.db2.gz FDHMBXSDYIADEN-UHFFFAOYSA-N -1 3 202.200 2.249 20 0 BEADHM Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000095233424 1165828474 /nfs/dbraw/zinc/82/84/74/1165828474.db2.gz BYEWAHWQZNKBEP-UHFFFAOYSA-N -1 3 238.250 2.239 20 0 BEADHM Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000095233424 1165828480 /nfs/dbraw/zinc/82/84/80/1165828480.db2.gz BYEWAHWQZNKBEP-UHFFFAOYSA-N -1 3 238.250 2.239 20 0 BEADHM [O-]c1cc(F)c(C[C@@H]2CCCO2)c(F)c1 ZINC001250105514 967383353 /nfs/dbraw/zinc/38/33/53/967383353.db2.gz ZMGHNTHCPRIIJW-QMMMGPOBSA-N -1 3 214.211 2.392 20 0 BEADHM CC[C@@H](Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000086118366 1165932376 /nfs/dbraw/zinc/93/23/76/1165932376.db2.gz KALACDTZZBEFHZ-GFCCVEGCSA-N -1 3 243.314 2.467 20 0 BEADHM CC[C@@H](Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000086118366 1165932382 /nfs/dbraw/zinc/93/23/82/1165932382.db2.gz KALACDTZZBEFHZ-GFCCVEGCSA-N -1 3 243.314 2.467 20 0 BEADHM Cc1ccc(C(=O)NC/C=C/C2CC2)c([O-])c1 ZINC000393928477 1166555585 /nfs/dbraw/zinc/55/55/85/1166555585.db2.gz CZZJONASFWHVFB-NSCUHMNNSA-N -1 3 231.295 2.397 20 0 BEADHM Cc1cc(-c2ccc(F)c([O-])c2)cnc1N ZINC001243052064 970206510 /nfs/dbraw/zinc/20/65/10/970206510.db2.gz UUBRBQFDHJSHLF-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM N#Cc1ccc(Sc2ccccc2[O-])nn1 ZINC000397043224 1166680468 /nfs/dbraw/zinc/68/04/68/1166680468.db2.gz MHNCNLQUQAZEFH-UHFFFAOYSA-N -1 3 229.264 2.205 20 0 BEADHM Cc1coc(SCc2nc(C)cc(=O)[n-]2)n1 ZINC000790285631 970392331 /nfs/dbraw/zinc/39/23/31/970392331.db2.gz KEJDDWNRXGRJPB-UHFFFAOYSA-N -1 3 237.284 2.079 20 0 BEADHM C[C@@H](Oc1ccnc(=S)[n-]1)c1nccs1 ZINC001226942662 975168962 /nfs/dbraw/zinc/16/89/62/975168962.db2.gz OGEYZNJSJJKOMW-ZCFIWIBFSA-N -1 3 239.325 2.362 20 0 BEADHM C[C@@H]1CCC[C@H](Oc2cc(=O)[n-]cn2)[C@@H]1C ZINC001226944988 975172741 /nfs/dbraw/zinc/17/27/41/975172741.db2.gz MJTQGMWODNYWSJ-BBBLOLIVSA-N -1 3 222.288 2.386 20 0 BEADHM C[C@H]1CCC[C@H](C)C1Oc1cc(=O)[n-]cn1 ZINC001226945380 975174694 /nfs/dbraw/zinc/17/46/94/975174694.db2.gz TVIHQOWEEDHLAP-IUCAKERBSA-N -1 3 222.288 2.386 20 0 BEADHM Cc1ccc(C)c(NC(=O)c2cc(=O)[n-]cn2)c1 ZINC000585356845 1167031315 /nfs/dbraw/zinc/03/13/15/1167031315.db2.gz JSICZDCPLYNXMA-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM C[C@@H]1CCCC[C@H]1Oc1ccc(=O)[n-]n1 ZINC001227095313 975267666 /nfs/dbraw/zinc/26/76/66/975267666.db2.gz PJHGRXQBAPIXBU-RKDXNWHRSA-N -1 3 208.261 2.140 20 0 BEADHM C[C@H]1CCC[C@@H](Oc2ccc(=O)[n-]n2)C1 ZINC001227095130 975269680 /nfs/dbraw/zinc/26/96/80/975269680.db2.gz NJLIHIGQBJCOQE-DTWKUNHWSA-N -1 3 208.261 2.140 20 0 BEADHM CCc1nc(O[C@@H](C)c2ccncc2)cc(=O)[n-]1 ZINC001226473364 1167133929 /nfs/dbraw/zinc/13/39/29/1167133929.db2.gz VTYDCGBMJRHVET-VIFPVBQESA-N -1 3 245.282 2.280 20 0 BEADHM F[C@H]1CCCC[C@H]1Oc1ccnc(=S)[n-]1 ZINC001226939860 1167198625 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/nfs/dbraw/zinc/45/18/51/978451851.db2.gz PFVRTRJQWFAVLV-LLVKDONJSA-N -1 3 239.290 2.142 20 0 BEADHM COc1ccc(CN2CC=CC2)c(Cl)c1[O-] ZINC001233397539 978600055 /nfs/dbraw/zinc/60/00/55/978600055.db2.gz DPTCVCHNXYGTQE-UHFFFAOYSA-N -1 3 239.702 2.426 20 0 BEADHM CCC(CC)Oc1cccc([O-])c1C(N)=O ZINC001234150831 978782233 /nfs/dbraw/zinc/78/22/33/978782233.db2.gz YNQQPHJERCTEFM-UHFFFAOYSA-N -1 3 223.272 2.059 20 0 BEADHM CC[C@H](C)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234905199 978929931 /nfs/dbraw/zinc/92/99/31/978929931.db2.gz BNMAYBBOAICRJF-ZETCQYMHSA-N -1 3 240.328 2.398 20 0 BEADHM C[C@@H]1C[C@@H](C)N1Cc1ccc(C(=O)[O-])s1 ZINC001604666013 979694716 /nfs/dbraw/zinc/69/47/16/979694716.db2.gz WUPNWFKHTPALOS-HTQZYQBOSA-N -1 3 225.313 2.429 20 0 BEADHM [O-]c1cc(CN2CCC[C@@H]2CF)ccc1F ZINC001236715277 979701435 /nfs/dbraw/zinc/70/14/35/979701435.db2.gz WOASXCYOJBDXDX-SNVBAGLBSA-N -1 3 227.254 2.465 20 0 BEADHM c1cncc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000095176730 1168368145 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RLPOGBZIFXVPGL-UHFFFAOYSA-N -1 3 215.199 2.036 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2CCC[C@]23CCCO3)n1 ZINC001120870717 1169323172 /nfs/dbraw/zinc/32/31/72/1169323172.db2.gz GKFNJYOWKRPDHU-MFKMUULPSA-N -1 3 249.314 2.004 20 0 BEADHM C[C@@]1(F)CCN(Cc2ncccc2[O-])C[C@@H]1F ZINC001138390555 1169356482 /nfs/dbraw/zinc/35/64/82/1169356482.db2.gz ANDAWUWBNSOOTO-NWDGAFQWSA-N -1 3 242.269 2.059 20 0 BEADHM C[C@@]1(F)CCN(Cc2ncccc2[O-])C[C@H]1F ZINC001138390558 1169356618 /nfs/dbraw/zinc/35/66/18/1169356618.db2.gz ANDAWUWBNSOOTO-VXGBXAGGSA-N -1 3 242.269 2.059 20 0 BEADHM [O-]c1cnccc1CN1CCCC[C@H](F)C1 ZINC001140272550 1169370615 /nfs/dbraw/zinc/37/06/15/1169370615.db2.gz AMNHTHQKLRIBDJ-NSHDSACASA-N -1 3 224.279 2.111 20 0 BEADHM CCN(CCOC)Cc1cc(F)c([O-])cc1F ZINC001144646895 972911314 /nfs/dbraw/zinc/91/13/14/972911314.db2.gz PDGDXYIGIOJBPR-UHFFFAOYSA-N -1 3 245.269 2.139 20 0 BEADHM CCOCCC1(C(=O)[N-]OC(C)(C)C)CCC1 ZINC000126354988 973097889 /nfs/dbraw/zinc/09/78/89/973097889.db2.gz 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2.241 20 0 BEADHM COc1nonc1[N-]c1ccc(O)cc1Cl ZINC001216425858 971084869 /nfs/dbraw/zinc/08/48/69/971084869.db2.gz LMHFBWXFMVEUIS-UHFFFAOYSA-N -1 3 241.634 2.181 20 0 BEADHM CCOc1cc(Nc2ncc(F)cc2[O-])ccn1 ZINC001216623748 971140802 /nfs/dbraw/zinc/14/08/02/971140802.db2.gz RTQPPYUBQSHNGS-UHFFFAOYSA-N -1 3 249.245 2.464 20 0 BEADHM [O-]c1ccccc1-c1nc(C2CSC2)no1 ZINC000405141275 971199992 /nfs/dbraw/zinc/19/99/92/971199992.db2.gz SLCZVAVPWJEBSD-UHFFFAOYSA-N -1 3 234.280 2.273 20 0 BEADHM CCCCCC[C@H](C)Nc1cnc(C)[n-]c1=O ZINC001257359606 971274426 /nfs/dbraw/zinc/27/44/26/971274426.db2.gz UWRIKELPDXCLMC-JQWIXIFHSA-N -1 3 237.347 2.333 20 0 BEADHM Cc1cc(-c2cncc(N(C)C)n2)cc([O-])c1F ZINC001244496567 971301217 /nfs/dbraw/zinc/30/12/17/971301217.db2.gz SYGKZPWRNIFVMM-UHFFFAOYSA-N -1 3 247.273 2.363 20 0 BEADHM CC(C)(NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000077253800 949000967 /nfs/dbraw/zinc/00/09/67/949000967.db2.gz IGUDHRJQSIEQJW-UHFFFAOYSA-N -1 3 245.681 2.432 20 0 BEADHM COc1ccc(CCC(=O)[N-]OC2CCC2)cc1 ZINC000812787070 971533733 /nfs/dbraw/zinc/53/37/33/971533733.db2.gz BDPISTDBQRHXCB-UHFFFAOYSA-N -1 3 249.310 2.228 20 0 BEADHM CC(F)(F)CCNCc1ccoc1C(=O)[O-] ZINC000379250042 971623441 /nfs/dbraw/zinc/62/34/41/971623441.db2.gz DPUCCRLGHJHIPN-UHFFFAOYSA-N -1 3 233.214 2.113 20 0 BEADHM CC(C)Oc1cc2c(cc1[O-])CCC2=O ZINC001228857060 1169641813 /nfs/dbraw/zinc/64/18/13/1169641813.db2.gz JCOVUSVCMGNCOD-UHFFFAOYSA-N -1 3 206.241 2.308 20 0 BEADHM [O-]c1cc(Cl)cnc1OC1CCC(O)CC1 ZINC001218364902 971746402 /nfs/dbraw/zinc/74/64/02/971746402.db2.gz NDYJSNVOHSPYEI-UHFFFAOYSA-N -1 3 243.690 2.123 20 0 BEADHM C[C@@H](NCCC(C)(C)C(=O)[O-])c1nccs1 ZINC000395966650 951473437 /nfs/dbraw/zinc/47/34/37/951473437.db2.gz KWXZPYSFZGLNKR-MRVPVSSYSA-N -1 3 242.344 2.295 20 0 BEADHM [O-]c1cc(F)cc(-c2nccn3ccnc23)c1 ZINC001241271550 1169714810 /nfs/dbraw/zinc/71/48/10/1169714810.db2.gz QIAYVTYSLUURCZ-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM CCn1cccc(-c2cc([O-])cc(F)c2)c1=O 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ZINC000399527025 958772128 /nfs/dbraw/zinc/77/21/28/958772128.db2.gz LTQDXWVMWMEAJO-UHFFFAOYSA-N -1 3 221.256 2.105 20 0 BEADHM CC[C@@](C)(NCc1c(F)cccc1F)C(=O)[O-] ZINC000133768189 958820433 /nfs/dbraw/zinc/82/04/33/958820433.db2.gz NWCKZNVNQQEIFQ-GFCCVEGCSA-N -1 3 243.253 2.308 20 0 BEADHM Cc1cc(-c2cc(C(N)=O)ccn2)cc([O-])c1F ZINC001244495066 1169771027 /nfs/dbraw/zinc/77/10/27/1169771027.db2.gz BVWDECNYNCHFSY-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM Cc1nc2ccc(Nc3cnc[n-]c3=O)cc2o1 ZINC001213064952 959776307 /nfs/dbraw/zinc/77/63/07/959776307.db2.gz PJRFXHWMFVBKIG-UHFFFAOYSA-N -1 3 242.238 2.375 20 0 BEADHM Cc1cc([N-]C(=O)c2csc(Cl)n2)no1 ZINC000692675548 960424898 /nfs/dbraw/zinc/42/48/98/960424898.db2.gz ROTDKMCHJCKFKW-UHFFFAOYSA-N -1 3 243.675 2.345 20 0 BEADHM CCCC(=O)C(=O)Nc1ccc(CC)cc1[O-] ZINC001144041025 972516176 /nfs/dbraw/zinc/51/61/76/972516176.db2.gz UWAXMFSHMNDKLF-UHFFFAOYSA-N -1 3 235.283 2.262 20 0 BEADHM [O-]c1ccc(CN2CCCC2)c(F)c1F ZINC001140889480 960672245 /nfs/dbraw/zinc/67/22/45/960672245.db2.gz HHKJJWILCFJFHX-UHFFFAOYSA-N -1 3 213.227 2.266 20 0 BEADHM CC=CC=CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001141301876 961042295 /nfs/dbraw/zinc/04/22/95/961042295.db2.gz FKEVAWFGQNLNIH-MQQKCMAXSA-N -1 3 243.266 2.339 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)c1cnco1 ZINC001141469434 961074966 /nfs/dbraw/zinc/07/49/66/961074966.db2.gz RWWTVIZYEYTYJY-UHFFFAOYSA-N -1 3 238.630 2.286 20 0 BEADHM C[C@@H]1CN(Cc2ccc([O-])c(F)c2)[C@H](C)CO1 ZINC000300434932 962543211 /nfs/dbraw/zinc/54/32/11/962543211.db2.gz BNYJRGICVCEFDK-NXEZZACHSA-N -1 3 239.290 2.141 20 0 BEADHM CCN(C)C(=O)c1c([O-])cnc2ccc(C)cc21 ZINC001154527685 962797323 /nfs/dbraw/zinc/79/73/23/962797323.db2.gz GHXWLSYTOHMRCS-UHFFFAOYSA-N -1 3 244.294 2.341 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001226075105 963028988 /nfs/dbraw/zinc/02/89/88/963028988.db2.gz FJPMAWVZGUMHNI-KXUCPTDWSA-N -1 3 220.272 2.058 20 0 BEADHM CCCC[C@H](CC)Oc1[n-]c(=O)nnc1C ZINC001226461723 963206394 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963888865 /nfs/dbraw/zinc/88/88/65/963888865.db2.gz QDXYTYVGCXVGLT-BQBZGAKWSA-N -1 3 228.317 2.290 20 0 BEADHM CC[C@@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000315355580 963889048 /nfs/dbraw/zinc/88/90/48/963889048.db2.gz QDXYTYVGCXVGLT-RQJHMYQMSA-N -1 3 228.317 2.290 20 0 BEADHM Cc1cc(F)cnc1NCc1ncccc1[O-] ZINC001158770401 963922115 /nfs/dbraw/zinc/92/21/15/963922115.db2.gz AYEFWFCNNKNOND-UHFFFAOYSA-N -1 3 233.246 2.242 20 0 BEADHM O=C([O-])c1coc(CNC2(C3CC3)CC2)c1 ZINC000697429354 963924746 /nfs/dbraw/zinc/92/47/46/963924746.db2.gz ALVFSJSQQAZIOJ-UHFFFAOYSA-N -1 3 221.256 2.010 20 0 BEADHM CCC[C@H]1CCC[C@H]1C(=O)Nc1ccncc1[O-] ZINC001160746581 964407205 /nfs/dbraw/zinc/40/72/05/964407205.db2.gz FNYJQUSAYAUUBK-WDEREUQCSA-N -1 3 248.326 2.364 20 0 BEADHM CC(=O)[C@H]1CCCCN1Cc1nc(C)ccc1[O-] ZINC001231674371 965279118 /nfs/dbraw/zinc/27/91/18/965279118.db2.gz QYCUALYOANERQG-CYBMUJFWSA-N -1 3 248.326 2.039 20 0 BEADHM C[C@@H](Oc1cccc([O-])c1F)c1cnccn1 ZINC001233872360 965604735 /nfs/dbraw/zinc/60/47/35/965604735.db2.gz TZZAKNQZDWWYQW-MRVPVSSYSA-N -1 3 234.230 2.461 20 0 BEADHM Cc1ccc(C)c(NCCCc2c[n-][nH]c2=O)c1 ZINC001164375210 965867345 /nfs/dbraw/zinc/86/73/45/965867345.db2.gz RPWMGOQSDRHTKY-LBPRGKRZSA-N -1 3 245.326 2.227 20 0 BEADHM C[C@H](CCO)Nc1ccc2c(c1)[N-]C(=S)C2 ZINC001165967545 966218107 /nfs/dbraw/zinc/21/81/07/966218107.db2.gz ZONDHNAJCGVEFZ-MRVPVSSYSA-N -1 3 236.340 2.165 20 0 BEADHM Cc1ccc(Nc2cc(=O)[n-]c(C)n2)c(C)n1 ZINC001203366834 966620583 /nfs/dbraw/zinc/62/05/83/966620583.db2.gz FJCRNMTZLOWISG-UHFFFAOYSA-N -1 3 230.271 2.246 20 0 BEADHM Nc1ncccc1Nc1c([O-])cc(F)cc1F ZINC001212399943 967047219 /nfs/dbraw/zinc/04/72/19/967047219.db2.gz NZEONATWMFLCNJ-UHFFFAOYSA-N -1 3 237.209 2.391 20 0 BEADHM COC(=O)CCCc1ccc(F)c([O-])c1 ZINC001250146933 967435068 /nfs/dbraw/zinc/43/50/68/967435068.db2.gz KGDXHMULTHOUQY-UHFFFAOYSA-N -1 3 212.220 2.027 20 0 BEADHM Nc1cccnc1Nc1cc(F)cc(F)c1[O-] ZINC001212477872 967479189 /nfs/dbraw/zinc/47/91/89/967479189.db2.gz 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2.305 20 0 BEADHM COc1nc(C)cc(-c2ccc([O-])cc2F)n1 ZINC001206029768 967995767 /nfs/dbraw/zinc/99/57/67/967995767.db2.gz ISGUXDSQXGFMPG-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM CCN(C)c1cc(-c2ccc([O-])cc2F)ncn1 ZINC001206038384 968002850 /nfs/dbraw/zinc/00/28/50/968002850.db2.gz XARRVCZQBFQVBC-UHFFFAOYSA-N -1 3 247.273 2.444 20 0 BEADHM [O-]c1ccc(-c2cc3c(nn2)CCOC3)c(F)c1 ZINC001206044706 968009321 /nfs/dbraw/zinc/00/93/21/968009321.db2.gz SIPGDUGANBQAOL-UHFFFAOYSA-N -1 3 246.241 2.061 20 0 BEADHM [O-]c1ccc(-c2cccn3cnnc23)c(F)c1 ZINC001206057985 968022321 /nfs/dbraw/zinc/02/23/21/968022321.db2.gz ZOHMGQTZSUJEDF-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM NC(=O)c1ccc(F)cc1-c1ccc([O-])cc1F ZINC001206081214 968049407 /nfs/dbraw/zinc/04/94/07/968049407.db2.gz WGXWLENAOSYLNT-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM NC(=O)c1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001250611730 968157362 /nfs/dbraw/zinc/15/73/62/968157362.db2.gz DEINHIKXHXFOAA-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM CCn1ccc(CNCc2ccc([O-])c(F)c2)n1 ZINC000823588042 968550198 /nfs/dbraw/zinc/55/01/98/968550198.db2.gz VOBKSJCRHDKGPZ-UHFFFAOYSA-N -1 3 249.289 2.038 20 0 BEADHM Cc1ccc(-c2ncnc3[nH]cnc32)c([O-])c1 ZINC001241028918 968867827 /nfs/dbraw/zinc/86/78/27/968867827.db2.gz YFPNSHMRPCTNQH-UHFFFAOYSA-N -1 3 226.239 2.034 20 0 BEADHM CS(=O)(=O)[N-]c1ccccc1-c1ccco1 ZINC001252733584 968925338 /nfs/dbraw/zinc/92/53/38/968925338.db2.gz RRSKBXURCUYTKV-UHFFFAOYSA-N -1 3 237.280 2.318 20 0 BEADHM Nc1ncccc1-c1c(F)ccc([O-])c1F ZINC001241293158 968968334 /nfs/dbraw/zinc/96/83/34/968968334.db2.gz RJGKKIMOUJIEFC-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM S=c1ccc(NCCC2CCC2)n[n-]1 ZINC001168887002 969259058 /nfs/dbraw/zinc/25/90/58/969259058.db2.gz PFQLSIMGAQSLOK-UHFFFAOYSA-N -1 3 209.318 2.367 20 0 BEADHM Nc1ncccc1-c1ccc(F)cc1[O-] ZINC001242217752 969320147 /nfs/dbraw/zinc/32/01/47/969320147.db2.gz KSVZQUZAICJGQI-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM CCCc1nnc(-c2c([O-])cc(C)cc2O)o1 ZINC001254019735 969449535 /nfs/dbraw/zinc/44/95/35/969449535.db2.gz YEXOQQKYCGONKT-UHFFFAOYSA-N -1 3 234.255 2.409 20 0 BEADHM Cc1ccnc(CCNc2ccc(=S)[n-]n2)c1 ZINC001169315967 969561319 /nfs/dbraw/zinc/56/13/19/969561319.db2.gz UXWXIPXLFIGTKB-UHFFFAOYSA-N -1 3 246.339 2.123 20 0 BEADHM Cc1nc(Nc2ccc3[nH]cnc3c2)cc(=O)[n-]1 ZINC001209842608 969653932 /nfs/dbraw/zinc/65/39/32/969653932.db2.gz NDYHEGNZXARSDJ-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM Cc1cnccc1Nc1cc(F)cc(C(=O)[O-])c1 ZINC001209886777 969683006 /nfs/dbraw/zinc/68/30/06/969683006.db2.gz GZQKNJQBCRMPMS-UHFFFAOYSA-N -1 3 246.241 2.393 20 0 BEADHM Nc1cccn1-c1cccc(Cl)c1[O-] ZINC001210220129 969835178 /nfs/dbraw/zinc/83/51/78/969835178.db2.gz NHSKLMIVFCCYEO-UHFFFAOYSA-N -1 3 208.648 2.419 20 0 BEADHM [O-]c1cccnc1CNc1cccc2c1CCN2 ZINC001169732767 969838042 /nfs/dbraw/zinc/83/80/42/969838042.db2.gz KUVIAIVBAZDRPB-UHFFFAOYSA-N -1 3 241.294 2.367 20 0 BEADHM Cc1nnc([N-]c2ccc(OC(F)F)nc2)o1 ZINC001210300070 969859173 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20 0 BEADHM Cc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)c(N)c1 ZINC001214177663 970447296 /nfs/dbraw/zinc/44/72/96/970447296.db2.gz HCJJKAJDWCMCIB-UHFFFAOYSA-N -1 3 248.311 2.105 20 0 BEADHM CCOc1ncc([N-]c2nnc(C)o2)cc1C ZINC001214927114 970569129 /nfs/dbraw/zinc/56/91/29/970569129.db2.gz WYUFEHWNLJOEPA-UHFFFAOYSA-N -1 3 234.259 2.224 20 0 BEADHM CCCC(C)(C)C(=O)Nc1cc(=O)[n-]c(C)n1 ZINC001144109595 972577711 /nfs/dbraw/zinc/57/77/11/972577711.db2.gz HGSGONAQWIDCGX-UHFFFAOYSA-N -1 3 237.303 2.255 20 0 BEADHM O=C([N-][C@H]1CCC[C@@H](F)C1)C(F)(F)C(F)F ZINC001328536953 973122474 /nfs/dbraw/zinc/12/24/74/973122474.db2.gz ZJQPAITXSGAXGB-RITPCOANSA-N -1 3 245.191 2.284 20 0 BEADHM CC1(C(=O)[O-])CN(C/C=C/c2ccccc2)C1 ZINC000399222827 973204021 /nfs/dbraw/zinc/20/40/21/973204021.db2.gz XGPFNTLUGFKPGW-VMPITWQZSA-N -1 3 231.295 2.106 20 0 BEADHM O=C(Nc1cncc([O-])c1)C1=CCCCC1 ZINC001146708155 973218563 /nfs/dbraw/zinc/21/85/63/973218563.db2.gz YFRXVQYTPVLRNX-UHFFFAOYSA-N -1 3 218.256 2.226 20 0 BEADHM Cc1cc(CN2C3CCC2CC3)oc1C(=O)[O-] ZINC000399499049 973222065 /nfs/dbraw/zinc/22/20/65/973222065.db2.gz CIEVRRPPHASPKA-UHFFFAOYSA-N -1 3 235.283 2.413 20 0 BEADHM CC(=O)c1cccc([O-])c1NC(=O)c1cc[nH]c1 ZINC001146888623 973314697 /nfs/dbraw/zinc/31/46/97/973314697.db2.gz KOCAFPBRSWJXAG-UHFFFAOYSA-N -1 3 244.250 2.175 20 0 BEADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccco1 ZINC001147095429 973431550 /nfs/dbraw/zinc/43/15/50/973431550.db2.gz HQQVZEZVVIUHNM-UHFFFAOYSA-N -1 3 245.234 2.440 20 0 BEADHM CC[C@H](C)N(CC=C(Cl)Cl)CC(=O)[O-] ZINC000403462185 973676324 /nfs/dbraw/zinc/67/63/24/973676324.db2.gz MIWPVDILKDBBNL-ZETCQYMHSA-N -1 3 240.130 2.491 20 0 BEADHM CCCO[N-]C(=O)CCc1ccc2c(c1)CCO2 ZINC001329554784 973825991 /nfs/dbraw/zinc/82/59/91/973825991.db2.gz JWEHOERMJABGLL-UHFFFAOYSA-N -1 3 249.310 2.012 20 0 BEADHM CC/C=C/NC(=O)c1ccc(C)cc1[O-] ZINC001148507695 973856166 /nfs/dbraw/zinc/85/61/66/973856166.db2.gz TUORLMUBZLEXNL-QPJJXVBHSA-N -1 3 205.257 2.354 20 0 BEADHM CC(=O)c1cc(C(=O)N[C@@H](C)C(C)C)ccc1[O-] ZINC001148656626 973870943 /nfs/dbraw/zinc/87/09/43/973870943.db2.gz ZYFHTUFRQYGJCA-VIFPVBQESA-N -1 3 249.310 2.369 20 0 BEADHM CC[C@H](C)NC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148669360 973882860 /nfs/dbraw/zinc/88/28/60/973882860.db2.gz VQIWFKJROBIBLJ-QMMMGPOBSA-N -1 3 235.283 2.123 20 0 BEADHM C[C@H]1COCC[C@@H]1Oc1ccc2c([O-])coc2c1 ZINC001225340761 974417863 /nfs/dbraw/zinc/41/78/63/974417863.db2.gz SUPKENJGGRJLDN-ZANVPECISA-N -1 3 248.278 2.066 20 0 BEADHM C[C@H]1COCC[C@H]1Oc1ccc2c([O-])coc2c1 ZINC001225340760 974419006 /nfs/dbraw/zinc/41/90/06/974419006.db2.gz SUPKENJGGRJLDN-TVQRCGJNSA-N -1 3 248.278 2.066 20 0 BEADHM CC(C)O[N-]C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001330789119 974470432 /nfs/dbraw/zinc/47/04/32/974470432.db2.gz HBWRVWDSHMGWJZ-QMMMGPOBSA-N -1 3 221.247 2.268 20 0 BEADHM Cc1cnc(=S)[n-]c1O[C@@H]1C=CCC1 ZINC001225741114 974663601 /nfs/dbraw/zinc/66/36/01/974663601.db2.gz QKDLFSCORJBNQD-MRVPVSSYSA-N -1 3 208.286 2.171 20 0 BEADHM Cc1cnc(=S)[n-]c1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001225742120 974665180 /nfs/dbraw/zinc/66/51/80/974665180.db2.gz GZZSDZRPZIPMGW-IVZWLZJFSA-N -1 3 234.324 2.417 20 0 BEADHM Cc1cnc2ccccc2c1N(C)CCC(=O)[O-] ZINC001331434951 974721335 /nfs/dbraw/zinc/72/13/35/974721335.db2.gz DQLKVIZRKGSYLW-UHFFFAOYSA-N -1 3 244.294 2.454 20 0 BEADHM CCO[C@@H](C)COc1cc(C(C)=O)ccc1[O-] ZINC001225995844 974756503 /nfs/dbraw/zinc/75/65/03/974756503.db2.gz UELABLCEOVDGJN-VIFPVBQESA-N -1 3 238.283 2.399 20 0 BEADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCCCC2=O)c1 ZINC001225994224 974757354 /nfs/dbraw/zinc/75/73/54/974757354.db2.gz LZAWMAXYDAEQEB-CYBMUJFWSA-N -1 3 248.278 2.485 20 0 BEADHM CO[C@H](C)CCOc1cc(C(C)=O)ccc1[O-] ZINC001225996994 974757477 /nfs/dbraw/zinc/75/74/77/974757477.db2.gz AIPUSHIBWPAEBK-SECBINFHSA-N -1 3 238.283 2.399 20 0 BEADHM CC(C)(C)O[N-]C(=O)C[C@H]1CCC2(CCC2)O1 ZINC001331592332 974770567 /nfs/dbraw/zinc/77/05/67/974770567.db2.gz AYJRBPZLNRUQGK-SNVBAGLBSA-N -1 3 241.331 2.325 20 0 BEADHM 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239.344 2.187 20 0 BEADHM [O-]c1c(F)ccc(CN2CCCC2)c1F ZINC001232934036 978329543 /nfs/dbraw/zinc/32/95/43/978329543.db2.gz WFZOHDLBAHYXTH-UHFFFAOYSA-N -1 3 213.227 2.266 20 0 BEADHM CSCCN(C)Cc1cc([O-])c(F)c(F)c1 ZINC001232973620 978378436 /nfs/dbraw/zinc/37/84/36/978378436.db2.gz GWJBJVMKJKFOBE-UHFFFAOYSA-N -1 3 247.310 2.465 20 0 BEADHM CCC=C(C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001337531164 978394820 /nfs/dbraw/zinc/39/48/20/978394820.db2.gz ULCORRSXUBCWFU-YVMONPNESA-N -1 3 246.270 2.360 20 0 BEADHM C[C@H]1CN(Cc2cccc([O-])c2F)C[C@H](C)O1 ZINC001233049609 978439532 /nfs/dbraw/zinc/43/95/32/978439532.db2.gz RKRABCGGEBALPN-UWVGGRQHSA-N -1 3 239.290 2.141 20 0 BEADHM [O-]c1cccc(CN2CC3(CSC3)C2)c1F ZINC001233054186 978446213 /nfs/dbraw/zinc/44/62/13/978446213.db2.gz FDFCVUTUTLUUMO-UHFFFAOYSA-N -1 3 239.315 2.080 20 0 BEADHM CN(Cc1ccno1)Cc1cccc([O-])c1F ZINC001233054216 978446378 /nfs/dbraw/zinc/44/63/78/978446378.db2.gz GBBJRQNTKQURPC-UHFFFAOYSA-N -1 3 236.246 2.151 20 0 BEADHM CC(C)OC1CN(Cc2cccc([O-])c2F)C1 ZINC001233054130 978446965 /nfs/dbraw/zinc/44/69/65/978446965.db2.gz DDBRHIFDGNJLNI-UHFFFAOYSA-N -1 3 239.290 2.141 20 0 BEADHM CCCOC1CN(Cc2cccc([O-])c2F)C1 ZINC001233052282 978447595 /nfs/dbraw/zinc/44/75/95/978447595.db2.gz BOARMCRICWSFKV-UHFFFAOYSA-N -1 3 239.290 2.142 20 0 BEADHM CC[C@H]1COCCN1Cc1cccc([O-])c1F ZINC001233057810 978454964 /nfs/dbraw/zinc/45/49/64/978454964.db2.gz PFVRTRJQWFAVLV-NSHDSACASA-N -1 3 239.290 2.142 20 0 BEADHM C/C=C(C)/C=C/C(=O)Nc1cncc([O-])c1 ZINC001178507186 978576719 /nfs/dbraw/zinc/57/67/19/978576719.db2.gz PGNCIHUKCSWKKU-ISPHYHJQSA-N -1 3 218.256 2.248 20 0 BEADHM Cc1ccoc1CN(C)c1nc(C)cc(=O)[n-]1 ZINC001337992554 978583990 /nfs/dbraw/zinc/58/39/90/978583990.db2.gz IFXWPWGMJQXKNE-UHFFFAOYSA-N -1 3 233.271 2.028 20 0 BEADHM CC1(F)CN(Cc2c(F)ccc([O-])c2F)C1 ZINC001233394044 978597630 /nfs/dbraw/zinc/59/76/30/978597630.db2.gz XGGWTJIAPDLPQH-UHFFFAOYSA-N -1 3 231.217 2.214 20 0 BEADHM CO[C@H](C)CCOc1ccc2occ([O-])c2c1 ZINC001233679078 978672908 /nfs/dbraw/zinc/67/29/08/978672908.db2.gz YYVUAUMZVVJTEJ-SECBINFHSA-N -1 3 236.267 2.066 20 0 BEADHM CCC(=O)[C@@H](CC)Oc1ccc2occ([O-])c2c1 ZINC001233680402 978673237 /nfs/dbraw/zinc/67/32/37/978673237.db2.gz JNAUTJIJHIZMMX-CYBMUJFWSA-N -1 3 248.278 2.398 20 0 BEADHM Cc1cc(CN2C[C@@H]3CCCC[C@@H]32)[nH]c1C(=O)[O-] ZINC001600195892 978673878 /nfs/dbraw/zinc/67/38/78/978673878.db2.gz FRXZIKNEDUESHI-JQWIXIFHSA-N -1 3 248.326 2.396 20 0 BEADHM Cc1ccccc1[C@@H](NC/C=C/Cl)C(=O)[O-] ZINC001600569717 978700517 /nfs/dbraw/zinc/70/05/17/978700517.db2.gz NHNLVUBZQYWLNN-TZOMUSMUSA-N -1 3 239.702 2.463 20 0 BEADHM CC1(C)OC[C@H](COc2cccc([O-])c2F)O1 ZINC001233868923 978717313 /nfs/dbraw/zinc/71/73/13/978717313.db2.gz XVHLQKJHLJAZRH-QMMMGPOBSA-N -1 3 242.246 2.062 20 0 BEADHM C[C@H]1CC[C@@H](COc2cccc([O-])c2F)O1 ZINC001233868409 978717332 /nfs/dbraw/zinc/71/73/32/978717332.db2.gz SDIFXLRXIMIATA-IUCAKERBSA-N -1 3 226.247 2.478 20 0 BEADHM C[C@H]1COCC[C@H]1Oc1cccc([O-])c1F ZINC001233868875 978717703 /nfs/dbraw/zinc/71/77/03/978717703.db2.gz CIWBUPHTAKBQSC-WCBMZHEXSA-N -1 3 226.247 2.335 20 0 BEADHM [O-]c1cccc(OC[C@@H]2CCCCO2)c1F ZINC001233870596 978719099 /nfs/dbraw/zinc/71/90/99/978719099.db2.gz GGWYLYKILIYAIS-VIFPVBQESA-N -1 3 226.247 2.479 20 0 BEADHM CC[C@H](COC)Oc1cccc([O-])c1F ZINC001233870573 978720507 /nfs/dbraw/zinc/72/05/07/978720507.db2.gz GDBDZIBQSQNHDR-MRVPVSSYSA-N -1 3 214.236 2.335 20 0 BEADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@@H]1C1CC1 ZINC001600827405 978738108 /nfs/dbraw/zinc/73/81/08/978738108.db2.gz AZRZNGYLJHTSHI-LLVKDONJSA-N -1 3 235.283 2.271 20 0 BEADHM CC[C@@H](C)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234445799 978837087 /nfs/dbraw/zinc/83/70/87/978837087.db2.gz CEPFWVICSAQZMA-SSDOTTSWSA-N -1 3 206.245 2.446 20 0 BEADHM Cc1noc(C)c1[C@@H](C)Nc1nc(C)cc(=O)[n-]1 ZINC001339579872 978874626 /nfs/dbraw/zinc/87/46/26/978874626.db2.gz YUPCOHZPDUEQRX-SSDOTTSWSA-N -1 3 248.286 2.269 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCCC[C@H](C)C2)n1 ZINC001339664310 978889679 /nfs/dbraw/zinc/88/96/79/978889679.db2.gz AMQZUIXOHTVIPL-VIFPVBQESA-N -1 3 221.304 2.117 20 0 BEADHM CCO[C@@H](C)COc1nc2ccsc2[n-]1 ZINC001234847747 978913297 /nfs/dbraw/zinc/91/32/97/978913297.db2.gz LDGBPMSGMAJALD-ZETCQYMHSA-N -1 3 226.301 2.428 20 0 BEADHM CCO[C@@H](C)COc1nc2sccc2[n-]1 ZINC001234847747 978913303 /nfs/dbraw/zinc/91/33/03/978913303.db2.gz LDGBPMSGMAJALD-ZETCQYMHSA-N -1 3 226.301 2.428 20 0 BEADHM COC[C@H](C)Oc1nc2ccsc2[n-]1 ZINC001234852472 978916320 /nfs/dbraw/zinc/91/63/20/978916320.db2.gz WXNWQFXGLSTOPG-LURJTMIESA-N -1 3 212.274 2.038 20 0 BEADHM COC[C@H](C)Oc1nc2sccc2[n-]1 ZINC001234852472 978916326 /nfs/dbraw/zinc/91/63/26/978916326.db2.gz WXNWQFXGLSTOPG-LURJTMIESA-N -1 3 212.274 2.038 20 0 BEADHM CC(C)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234907536 978930430 /nfs/dbraw/zinc/93/04/30/978930430.db2.gz YMDZLQZYRIHADV-UHFFFAOYSA-N -1 3 226.301 2.008 20 0 BEADHM Cc1cccnc1[C@H](C)Nc1cc(=O)[n-]cn1 ZINC001339870808 978932981 /nfs/dbraw/zinc/93/29/81/978932981.db2.gz DULNSBPYIDMBJI-VIFPVBQESA-N -1 3 230.271 2.059 20 0 BEADHM NC(=O)c1cccc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235898236 979190491 /nfs/dbraw/zinc/19/04/91/979190491.db2.gz DYBUMZOTVJATII-UHFFFAOYSA-N -1 3 248.669 2.207 20 0 BEADHM C/C(=C\C(=O)[O-])CN1CCC[C@@H]1c1ccccn1 ZINC001602958734 979339095 /nfs/dbraw/zinc/33/90/95/979339095.db2.gz XIMKUWOZMXVOPK-YGNAEDSMSA-N -1 3 246.310 2.249 20 0 BEADHM CC(C)=CCOc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001603185974 979399652 /nfs/dbraw/zinc/39/96/52/979399652.db2.gz BLMIKMBMWFRJTQ-UHFFFAOYSA-N -1 3 248.261 2.351 20 0 BEADHM CC(C)=CCOc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001603185974 979399665 /nfs/dbraw/zinc/39/96/65/979399665.db2.gz BLMIKMBMWFRJTQ-UHFFFAOYSA-N -1 3 248.261 2.351 20 0 BEADHM CC(C)CCSc1ccc(-c2nnn[n-]2)cn1 ZINC001603284546 979429821 /nfs/dbraw/zinc/42/98/21/979429821.db2.gz BZNXUENFUIRYJS-UHFFFAOYSA-N -1 3 249.343 2.400 20 0 BEADHM CC(C)CCSc1ccc(-c2nn[n-]n2)cn1 ZINC001603284546 979429831 /nfs/dbraw/zinc/42/98/31/979429831.db2.gz BZNXUENFUIRYJS-UHFFFAOYSA-N -1 3 249.343 2.400 20 0 BEADHM CC/C=C\CCn1ccc(-c2nnn[n-]2)c1 ZINC001604118473 979578689 /nfs/dbraw/zinc/57/86/89/979578689.db2.gz HTOGBCMKGNQDBS-ARJAWSKDSA-N -1 3 217.276 2.025 20 0 BEADHM CC/C=C\CCn1ccc(-c2nn[n-]n2)c1 ZINC001604118473 979578693 /nfs/dbraw/zinc/57/86/93/979578693.db2.gz HTOGBCMKGNQDBS-ARJAWSKDSA-N -1 3 217.276 2.025 20 0 BEADHM Cc1ccc(F)c(-c2ccn(C)n2)c1[O-] ZINC001236402474 979580218 /nfs/dbraw/zinc/58/02/18/979580218.db2.gz LKVHXHGITANKMS-UHFFFAOYSA-N -1 3 206.220 2.240 20 0 BEADHM Cc1ccc(F)c(-c2cncc3nnoc32)c1[O-] ZINC001236414904 979587144 /nfs/dbraw/zinc/58/71/44/979587144.db2.gz MZFLQGWEYXRPTQ-UHFFFAOYSA-N -1 3 245.213 2.438 20 0 BEADHM C[C@H](N[C@@H]1C=CCC1)c1cc(C(=O)[O-])co1 ZINC001604324385 979617443 /nfs/dbraw/zinc/61/74/43/979617443.db2.gz INWVFXWDBMPKIE-WCBMZHEXSA-N -1 3 221.256 2.347 20 0 BEADHM CC(C)n1cccc(-c2cncc([O-])c2)c1=O ZINC001236584845 979670135 /nfs/dbraw/zinc/67/01/35/979670135.db2.gz FPJJMMTZFHVINO-UHFFFAOYSA-N -1 3 230.267 2.197 20 0 BEADHM CC1(F)CCN(Cc2occc2C(=O)[O-])CC1 ZINC001604586295 979680949 /nfs/dbraw/zinc/68/09/49/979680949.db2.gz XTVVWPQBEFSHEU-UHFFFAOYSA-N -1 3 241.262 2.302 20 0 BEADHM CC1(F)CN(Cc2ccc(F)c([O-])c2)C1 ZINC001236703682 979697644 /nfs/dbraw/zinc/69/76/44/979697644.db2.gz PWUIXBKFBXUYRW-UHFFFAOYSA-N -1 3 213.227 2.075 20 0 BEADHM O=c1[n-]c(Cl)c(CN2CCCCO2)s1 ZINC001237163090 979824148 /nfs/dbraw/zinc/82/41/48/979824148.db2.gz XBZXTKDLTWSJIY-UHFFFAOYSA-N -1 3 234.708 2.030 20 0 BEADHM Cc1cc([C@H](C)NCCC(C)(C)C(=O)[O-])no1 ZINC001605145398 979824598 /nfs/dbraw/zinc/82/45/98/979824598.db2.gz DDAIXWQWZGYAPT-VIFPVBQESA-N -1 3 240.303 2.135 20 0 BEADHM FC[C@@H]1C[C@H](F)CN1Cc1occc1[S-] ZINC001237182820 979831302 /nfs/dbraw/zinc/83/13/02/979831302.db2.gz UPPLEPANFANYMU-YUMQZZPRSA-N -1 3 233.283 2.450 20 0 BEADHM C[C@H]1CC(=O)CCN1Cc1occc1[S-] ZINC001237181012 979832196 /nfs/dbraw/zinc/83/21/96/979832196.db2.gz LGFZUDMVLOVFEP-QMMMGPOBSA-N -1 3 225.313 2.122 20 0 BEADHM Cc1ncc(CN(C)Cc2occc2[S-])cn1 ZINC001237184765 979837064 /nfs/dbraw/zinc/83/70/64/979837064.db2.gz RGOFIYORWMYMIF-UHFFFAOYSA-N -1 3 249.339 2.299 20 0 BEADHM CN(Cc1occc1[S-])CC(F)F ZINC001237187462 979838215 /nfs/dbraw/zinc/83/82/15/979838215.db2.gz PAUVKCHVGWAQPK-UHFFFAOYSA-N -1 3 207.245 2.265 20 0 BEADHM CCn1nccc1Nc1ncc(Cl)cc1[O-] ZINC001205274963 979842937 /nfs/dbraw/zinc/84/29/37/979842937.db2.gz XJHNQRWXNUWLLT-UHFFFAOYSA-N -1 3 238.678 2.401 20 0 BEADHM CCCOC1CN(Cc2cc([O-])cc(F)c2)C1 ZINC001237279466 979861275 /nfs/dbraw/zinc/86/12/75/979861275.db2.gz RUOGEKSVFKIKLS-UHFFFAOYSA-N -1 3 239.290 2.142 20 0 BEADHM Cc1cc(-c2nn[n-]n2)ccc1OCCC1CC1 ZINC001605543263 979889019 /nfs/dbraw/zinc/88/90/19/979889019.db2.gz MJSBIZSAEBIQRQ-UHFFFAOYSA-N -1 3 244.298 2.354 20 0 BEADHM Cc1cc(-c2nn[n-]n2)ccc1N[C@@H](C)C1CC1 ZINC001605543318 979890486 /nfs/dbraw/zinc/89/04/86/979890486.db2.gz PMNAXDLYEZJOMX-VIFPVBQESA-N -1 3 243.314 2.386 20 0 BEADHM Fc1cc(OCCC2CC2)ccc1-c1nnn[n-]1 ZINC001606312663 979995757 /nfs/dbraw/zinc/99/57/57/979995757.db2.gz YGVFCMUOLSHLKU-UHFFFAOYSA-N -1 3 248.261 2.185 20 0 BEADHM Fc1cc(OCCC2CC2)ccc1-c1nn[n-]n1 ZINC001606312663 979995764 /nfs/dbraw/zinc/99/57/64/979995764.db2.gz YGVFCMUOLSHLKU-UHFFFAOYSA-N -1 3 248.261 2.185 20 0 BEADHM C[C@@H]1CC=CC[C@H]1NC(=O)c1ccccc1[O-] ZINC001606905516 980062701 /nfs/dbraw/zinc/06/27/01/980062701.db2.gz QETPKNIQRXNPKK-ZYHUDNBSSA-N -1 3 231.295 2.477 20 0 BEADHM c1cc(CSC2CCC2)ncc1-c1nnn[n-]1 ZINC001607119708 980089490 /nfs/dbraw/zinc/08/94/90/980089490.db2.gz ICJFCSJINYNWAW-UHFFFAOYSA-N -1 3 247.327 2.047 20 0 BEADHM c1cc(CSC2CCC2)ncc1-c1nn[n-]n1 ZINC001607119708 980089497 /nfs/dbraw/zinc/08/94/97/980089497.db2.gz ICJFCSJINYNWAW-UHFFFAOYSA-N -1 3 247.327 2.047 20 0 BEADHM Cc1nc(Cl)ccc1Nc1cnc[n-]c1=O ZINC001250153249 980107746 /nfs/dbraw/zinc/10/77/46/980107746.db2.gz QQBPVHUQEHMONR-UHFFFAOYSA-N -1 3 236.662 2.283 20 0 BEADHM Cc1cc(C)nc(N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC001607632304 980118929 /nfs/dbraw/zinc/11/89/29/980118929.db2.gz ISUBHDULWUHWGY-WDEREUQCSA-N -1 3 234.299 2.364 20 0 BEADHM Cc1cc(CN2C[C@H]3CCCC[C@H]32)[nH]c1C(=O)[O-] ZINC001607641332 980119535 /nfs/dbraw/zinc/11/95/35/980119535.db2.gz FRXZIKNEDUESHI-ZYHUDNBSSA-N -1 3 248.326 2.396 20 0 BEADHM CC[C@H](N[C@@H](CF)c1ccc(F)cc1)C(=O)[O-] ZINC001595282101 980340801 /nfs/dbraw/zinc/34/08/01/980340801.db2.gz UXHOLHWSLQZTSZ-QWRGUYRKSA-N -1 3 243.253 2.289 20 0 BEADHM NCc1ccc(-c2ccc(C(=O)[O-])cc2F)cn1 ZINC001239256574 980507026 /nfs/dbraw/zinc/50/70/26/980507026.db2.gz LRCQROWPESLIRS-UHFFFAOYSA-N -1 3 246.241 2.045 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001188647322 980676318 /nfs/dbraw/zinc/67/63/18/980676318.db2.gz PRUIYKQDCHGLIX-GARJFASQSA-N -1 3 249.285 2.273 20 0 BEADHM Cc1cc([N-]C(=O)Nc2ccccn2)on1 ZINC001191294008 981011231 /nfs/dbraw/zinc/01/12/31/981011231.db2.gz UACBAVAOQNSEMA-UHFFFAOYSA-N -1 3 218.216 2.022 20 0 BEADHM Cc1cc(-c2ncccn2)cc([O-])c1F ZINC001250448647 981126306 /nfs/dbraw/zinc/12/63/06/981126306.db2.gz IQSYNKSJQJFUBT-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Cc1ccc(-c2ccccc2-c2nnn[n-]2)cn1 ZINC001240222737 981178628 /nfs/dbraw/zinc/17/86/28/981178628.db2.gz COGNEFAKUSLOAK-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1ccc(-c2ccccc2-c2nn[n-]n2)cn1 ZINC001240222737 981178632 /nfs/dbraw/zinc/17/86/32/981178632.db2.gz COGNEFAKUSLOAK-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1cc(-c2ccncn2)cc([O-])c1F ZINC001250492408 981190685 /nfs/dbraw/zinc/19/06/85/981190685.db2.gz HJJCWACADXCWQX-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Cc1cc(=O)[n-]c(NCCCC(F)(F)F)n1 ZINC001348021324 981249462 /nfs/dbraw/zinc/24/94/62/981249462.db2.gz OSXJZPGLCQVRSH-UHFFFAOYSA-N -1 3 235.209 2.245 20 0 BEADHM Cc1c[nH]c([N-]c2nc(C(C)C)ns2)n1 ZINC001348051694 981264044 /nfs/dbraw/zinc/26/40/44/981264044.db2.gz JUMKVFUEOJJOTK-UHFFFAOYSA-N -1 3 223.305 2.437 20 0 BEADHM Cc1sccc1C(=O)Nc1cc(=O)[n-]c(C)n1 ZINC001193369313 981306798 /nfs/dbraw/zinc/30/67/98/981306798.db2.gz YPODLAMWSTUCJT-UHFFFAOYSA-N -1 3 249.295 2.113 20 0 BEADHM CCC[C@@H](CNc1nc(C)cc(=O)[n-]1)OCC ZINC001348259418 981320263 /nfs/dbraw/zinc/32/02/63/981320263.db2.gz JYVHMGVDOBYHSI-JTQLQIEISA-N -1 3 239.319 2.108 20 0 BEADHM COCCOC(=O)Nc1cc([O-])cc(Cl)c1 ZINC001193411486 981322987 /nfs/dbraw/zinc/32/29/87/981322987.db2.gz DICRZFRKBQJYGF-UHFFFAOYSA-N -1 3 245.662 2.241 20 0 BEADHM S=c1ccc(-c2cnn(CC3CC3)c2)n[n-]1 ZINC001240511740 981436892 /nfs/dbraw/zinc/43/68/92/981436892.db2.gz GERAIKDLMOWMFD-UHFFFAOYSA-N -1 3 232.312 2.039 20 0 BEADHM Cc1cnccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001240611489 981508417 /nfs/dbraw/zinc/50/84/17/981508417.db2.gz LSVJXEGWYJDVIN-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1cnccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001240611489 981508424 /nfs/dbraw/zinc/50/84/24/981508424.db2.gz LSVJXEGWYJDVIN-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM CN(C)c1nccc(-c2ccc([O-])c(F)c2)n1 ZINC001240781801 981820778 /nfs/dbraw/zinc/82/07/78/981820778.db2.gz JFFXEDAMQIOGPU-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM Cc1nccc(-c2ccc([O-])c(F)c2)n1 ZINC001240782610 981821043 /nfs/dbraw/zinc/82/10/43/981821043.db2.gz BRYVJIRHXYFKOO-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Nc1ccc(-c2ccc([O-])c(F)c2)nc1 ZINC001240782667 981821054 /nfs/dbraw/zinc/82/10/54/981821054.db2.gz CXJIJKRIBGEOCT-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM COC(=O)c1cccc(-c2ccc([O-])c(F)c2)n1 ZINC001240783664 981823641 /nfs/dbraw/zinc/82/36/41/981823641.db2.gz VPEOBJPIBPAFJT-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM [O-]c1ccc(-c2cnc3nccn3c2)cc1F ZINC001240785642 981827845 /nfs/dbraw/zinc/82/78/45/981827845.db2.gz KQPUUDHMOXVRED-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM NC(=O)c1ccc(F)c(-c2ccc([O-])c(F)c2)c1 ZINC001240786339 981828199 /nfs/dbraw/zinc/82/81/99/981828199.db2.gz HHRAOORQBFULTM-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM Cc1ncncc1-c1ccc([O-])c(F)c1 ZINC001240785898 981828219 /nfs/dbraw/zinc/82/82/19/981828219.db2.gz SJLMWZDNDWRKBG-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM [O-]c1ccc(-c2cnc(N3CCC3)nc2)cc1F ZINC001240787355 981832639 /nfs/dbraw/zinc/83/26/39/981832639.db2.gz ZOWFRBIDKSPWTL-UHFFFAOYSA-N -1 3 245.257 2.198 20 0 BEADHM CC(C)Cn1cc(-c2ccc(=S)[n-]n2)cn1 ZINC001240881453 981935919 /nfs/dbraw/zinc/93/59/19/981935919.db2.gz SOABLXQZXYKPCG-UHFFFAOYSA-N -1 3 234.328 2.285 20 0 BEADHM COC(=O)c1cc(F)cnc1-c1ccccc1[O-] ZINC001241001620 982086081 /nfs/dbraw/zinc/08/60/81/982086081.db2.gz BVPCACHTLPIODE-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM CCOC(=O)c1ccc(-c2ccccc2[O-])nn1 ZINC001241002050 982088838 /nfs/dbraw/zinc/08/88/38/982088838.db2.gz QMXGQKFZHJCASB-UHFFFAOYSA-N -1 3 244.250 2.026 20 0 BEADHM CCOC(=O)c1ccnnc1-c1ccccc1[O-] ZINC001241003463 982089962 /nfs/dbraw/zinc/08/99/62/982089962.db2.gz OJJWIPCEPHEATF-UHFFFAOYSA-N -1 3 244.250 2.026 20 0 BEADHM O=C([N-]c1ccnc(F)c1F)c1cncs1 ZINC001587730825 982090547 /nfs/dbraw/zinc/09/05/47/982090547.db2.gz PMHMPWPKDVUPNT-UHFFFAOYSA-N -1 3 241.222 2.069 20 0 BEADHM COc1nc(-c2ccccc2[O-])cn2ccnc12 ZINC001241014638 982108551 /nfs/dbraw/zinc/10/85/51/982108551.db2.gz JZFFXOTUVJRQEP-UHFFFAOYSA-N -1 3 241.250 2.111 20 0 BEADHM C[S@@](=O)c1ccc(-c2ccccc2[O-])nc1 ZINC001241020301 982114865 /nfs/dbraw/zinc/11/48/65/982114865.db2.gz YLRKCLLJDKIPTE-MRXNPFEDSA-N -1 3 233.292 2.192 20 0 BEADHM COc1cc(-c2ccc(C)cc2[O-])nc(OC)n1 ZINC001241028874 982123696 /nfs/dbraw/zinc/12/36/96/982123696.db2.gz VGLNRICYJIIDFV-UHFFFAOYSA-N -1 3 246.266 2.175 20 0 BEADHM COc1nnc(-c2ccc(C)cc2[O-])cc1C ZINC001241030337 982127281 /nfs/dbraw/zinc/12/72/81/982127281.db2.gz IHZIYCWTWGLFOJ-UHFFFAOYSA-N -1 3 230.267 2.475 20 0 BEADHM Cc1ccc(-c2nc(C)ccc2C(N)=O)c([O-])c1 ZINC001241035699 982138514 /nfs/dbraw/zinc/13/85/14/982138514.db2.gz DFSMYXHXNZLDHE-UHFFFAOYSA-N -1 3 242.278 2.170 20 0 BEADHM CCNC(=S)Nc1c([O-])cccc1Cl ZINC001195344209 982208929 /nfs/dbraw/zinc/20/89/29/982208929.db2.gz LFKAOJKTKCSBDK-UHFFFAOYSA-N -1 3 230.720 2.352 20 0 BEADHM [O-]c1cc(F)cc(-c2cc3nc[nH]c3cn2)c1 ZINC001241256013 982391290 /nfs/dbraw/zinc/39/12/90/982391290.db2.gz KDHHETNGQGGLRB-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM CCOc1cncc(-c2cc([O-])cc(F)c2)n1 ZINC001241257537 982394597 /nfs/dbraw/zinc/39/45/97/982394597.db2.gz KPKQAPSGRXPIKR-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM Cc1ncc(F)c(-c2cc([O-])cc(F)c2)n1 ZINC001241257643 982394668 /nfs/dbraw/zinc/39/46/68/982394668.db2.gz NVHJZGICRVTZQM-UHFFFAOYSA-N -1 3 222.194 2.436 20 0 BEADHM Nc1cnc(-c2cc([O-])cc(F)c2)c(F)c1 ZINC001241256126 982394678 /nfs/dbraw/zinc/39/46/78/982394678.db2.gz NSWIVYWNCCXKMA-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM O=C1Cc2cc(-c3cc([O-])cc(F)c3)ncc2N1 ZINC001241258229 982394920 /nfs/dbraw/zinc/39/49/20/982394920.db2.gz WIRGSRNPMDTOCV-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM NC(=S)c1ccnc(-c2cc([O-])cc(F)c2)c1 ZINC001241261773 982396995 /nfs/dbraw/zinc/39/69/95/982396995.db2.gz QDNCXTDYTNRYDZ-UHFFFAOYSA-N -1 3 248.282 2.228 20 0 BEADHM [O-]c1cc(F)cc(-c2cc3c(nn2)CCC3)c1 ZINC001241261313 982397910 /nfs/dbraw/zinc/39/79/10/982397910.db2.gz JOUTZFQMOGIZQT-UHFFFAOYSA-N -1 3 230.242 2.477 20 0 BEADHM CCOc1nccnc1-c1cc([O-])cc(F)c1 ZINC001241261158 982397987 /nfs/dbraw/zinc/39/79/87/982397987.db2.gz FRKSLIUAVRKTNI-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM NC(=S)c1cccnc1-c1cc([O-])cc(F)c1 ZINC001241262693 982400593 /nfs/dbraw/zinc/40/05/93/982400593.db2.gz QEBXBNSLNRVJJM-UHFFFAOYSA-N -1 3 248.282 2.228 20 0 BEADHM [O-]c1cc(F)cc(-c2cccn3ncnc23)c1 ZINC001241266954 982403058 /nfs/dbraw/zinc/40/30/58/982403058.db2.gz PUCWVMPWYZYGOI-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM CCn1ccc(-c2cc([O-])cc(F)c2)cc1=O ZINC001241280457 982419371 /nfs/dbraw/zinc/41/93/71/982419371.db2.gz MGGPLGARIOSWIT-UHFFFAOYSA-N -1 3 233.242 2.380 20 0 BEADHM O=c1occ2[nH]cc(-c3cc([O-])cc(F)c3)cc1-2 ZINC001241282057 982420915 /nfs/dbraw/zinc/42/09/15/982420915.db2.gz HIWFGHWTAWFANW-UHFFFAOYSA-N -1 3 245.209 2.264 20 0 BEADHM [O-]c1ccc(F)c(-c2cnc(F)nc2)c1F ZINC001241290631 982427256 /nfs/dbraw/zinc/42/72/56/982427256.db2.gz CDOVMDVTXKSDRN-UHFFFAOYSA-N -1 3 226.157 2.267 20 0 BEADHM NC(=O)c1cccc(-c2c(F)ccc([O-])c2F)c1 ZINC001241292812 982434406 /nfs/dbraw/zinc/43/44/06/982434406.db2.gz ISBBFKCJCLRLHE-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM [O-]c1ccc(F)c(-c2ccc3nncn3c2)c1F ZINC001241292726 982435879 /nfs/dbraw/zinc/43/58/79/982435879.db2.gz IKBWPRBHTCYRCI-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM [O-]c1ccc(F)c(-c2cnc(F)nc2F)c1F ZINC001241293894 982439743 /nfs/dbraw/zinc/43/97/43/982439743.db2.gz PVHXRQSTWFSUJN-UHFFFAOYSA-N -1 3 244.147 2.406 20 0 BEADHM Cc1ncccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444988 982598844 /nfs/dbraw/zinc/59/88/44/982598844.db2.gz HGUPOAIYOMXPKT-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1ncccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444988 982598869 /nfs/dbraw/zinc/59/88/69/982598869.db2.gz HGUPOAIYOMXPKT-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Fc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001241444011 982600058 /nfs/dbraw/zinc/60/00/58/982600058.db2.gz MOGZDBMCUIZNHI-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001241444011 982600062 /nfs/dbraw/zinc/60/00/62/982600062.db2.gz MOGZDBMCUIZNHI-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM C=CS(=O)(=O)[N-]c1cccc(Cl)c1OC ZINC001198555949 982776530 /nfs/dbraw/zinc/77/65/30/982776530.db2.gz JWKLEAODQBIDTH-UHFFFAOYSA-N -1 3 247.703 2.234 20 0 BEADHM CC(C)[C@H](C)Sc1ccncc1-c1nnn[n-]1 ZINC001589436656 982790128 /nfs/dbraw/zinc/79/01/28/982790128.db2.gz DKNWXIDRHQMJIR-QMMMGPOBSA-N -1 3 249.343 2.398 20 0 BEADHM CC(C)[C@H](C)Sc1ccncc1-c1nn[n-]n1 ZINC001589436656 982790145 /nfs/dbraw/zinc/79/01/45/982790145.db2.gz DKNWXIDRHQMJIR-QMMMGPOBSA-N -1 3 249.343 2.398 20 0 BEADHM CC(C)CCNc1ccc(-c2nn[n-]n2)cc1F ZINC001589604567 982844183 /nfs/dbraw/zinc/84/41/83/982844183.db2.gz URCUFAPDKUQZIC-UHFFFAOYSA-N -1 3 249.293 2.464 20 0 BEADHM C[C@H](Nc1cc(F)cc(-c2nnn[n-]2)c1)C1CC1 ZINC001589982445 982890755 /nfs/dbraw/zinc/89/07/55/982890755.db2.gz XKWXBFSSFZDFKI-ZETCQYMHSA-N -1 3 247.277 2.216 20 0 BEADHM C[C@H](Nc1cc(F)cc(-c2nn[n-]n2)c1)C1CC1 ZINC001589982445 982890768 /nfs/dbraw/zinc/89/07/68/982890768.db2.gz XKWXBFSSFZDFKI-ZETCQYMHSA-N -1 3 247.277 2.216 20 0 BEADHM C[C@H]1C[C@H]1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590217569 982898262 /nfs/dbraw/zinc/89/82/62/982898262.db2.gz CTEFIVAGHIGTOJ-YUMQZZPRSA-N -1 3 248.261 2.041 20 0 BEADHM C[C@H]1C[C@H]1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590217569 982898268 /nfs/dbraw/zinc/89/82/68/982898268.db2.gz CTEFIVAGHIGTOJ-YUMQZZPRSA-N -1 3 248.261 2.041 20 0 BEADHM C[C@@H]1C[C@H]1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC001590217069 982909121 /nfs/dbraw/zinc/90/91/21/982909121.db2.gz ATKMIZQAOVTKOD-SFYZADRCSA-N -1 3 247.277 2.074 20 0 BEADHM C[C@@H]1C[C@H]1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC001590217069 982909130 /nfs/dbraw/zinc/90/91/30/982909130.db2.gz ATKMIZQAOVTKOD-SFYZADRCSA-N -1 3 247.277 2.074 20 0 BEADHM CC[C@@H](C)CCNc1ncccc1-c1nnn[n-]1 ZINC001590408759 982931301 /nfs/dbraw/zinc/93/13/01/982931301.db2.gz CFNKFGXQXYJCKI-SECBINFHSA-N -1 3 246.318 2.110 20 0 BEADHM CC[C@@H](C)CCNc1ncccc1-c1nn[n-]n1 ZINC001590408759 982931306 /nfs/dbraw/zinc/93/13/06/982931306.db2.gz CFNKFGXQXYJCKI-SECBINFHSA-N -1 3 246.318 2.110 20 0 BEADHM CCC(CC)Cn1ccc(-c2nnn[n-]2)c1 ZINC001590434545 982940906 /nfs/dbraw/zinc/94/09/06/982940906.db2.gz WFISRBZWMUYYHI-UHFFFAOYSA-N -1 3 219.292 2.104 20 0 BEADHM CCC(CC)Cn1ccc(-c2nn[n-]n2)c1 ZINC001590434545 982940907 /nfs/dbraw/zinc/94/09/07/982940907.db2.gz WFISRBZWMUYYHI-UHFFFAOYSA-N -1 3 219.292 2.104 20 0 BEADHM N#C[N-]C(=O)c1cc(-c2ccccc2)cnc1F ZINC001199731080 982989458 /nfs/dbraw/zinc/98/94/58/982989458.db2.gz DEFFXKINBKESGR-UHFFFAOYSA-N -1 3 241.225 2.099 20 0 BEADHM CC(C)c1oncc1C(=O)Nc1cncc([O-])c1 ZINC001199744020 983004142 /nfs/dbraw/zinc/00/41/42/983004142.db2.gz SEUKWJNJJVUNMU-UHFFFAOYSA-N -1 3 247.254 2.151 20 0 BEADHM C[C@H](CCCCC(=O)[O-])NCc1nccs1 ZINC001353945578 983093012 /nfs/dbraw/zinc/09/30/12/983093012.db2.gz MIYSZEGIDCTZLV-SECBINFHSA-N -1 3 242.344 2.266 20 0 BEADHM Fc1cc(-c2cscn2)ccc1-c1nnn[n-]1 ZINC001241892471 983109695 /nfs/dbraw/zinc/10/96/95/983109695.db2.gz HJFUYYUTBOMMRZ-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM Fc1cc(-c2cscn2)ccc1-c1nn[n-]n1 ZINC001241892471 983109699 /nfs/dbraw/zinc/10/96/99/983109699.db2.gz HJFUYYUTBOMMRZ-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM Cc1cn(CCCC(C)C)cc1-c1nnn[n-]1 ZINC001592287595 983135830 /nfs/dbraw/zinc/13/58/30/983135830.db2.gz ROXOXQOSFYEDQD-UHFFFAOYSA-N -1 3 233.319 2.413 20 0 BEADHM Cc1cn(CCCC(C)C)cc1-c1nn[n-]n1 ZINC001592287595 983135836 /nfs/dbraw/zinc/13/58/36/983135836.db2.gz ROXOXQOSFYEDQD-UHFFFAOYSA-N -1 3 233.319 2.413 20 0 BEADHM O=c1cc(NC2=CCSCC2)nc(C2CC2)[n-]1 ZINC001201332408 983180026 /nfs/dbraw/zinc/18/00/26/983180026.db2.gz PSTDEXNNHZKYIW-UHFFFAOYSA-N -1 3 249.339 2.492 20 0 BEADHM Fc1cc(OCCC2CC2)cc(-c2nnn[n-]2)c1 ZINC001592642585 983191557 /nfs/dbraw/zinc/19/15/57/983191557.db2.gz BKGUGOSLHVZJKL-UHFFFAOYSA-N -1 3 248.261 2.185 20 0 BEADHM Fc1cc(OCCC2CC2)cc(-c2nn[n-]n2)c1 ZINC001592642585 983191564 /nfs/dbraw/zinc/19/15/64/983191564.db2.gz BKGUGOSLHVZJKL-UHFFFAOYSA-N -1 3 248.261 2.185 20 0 BEADHM Fc1cc(NC2CCCC2)cc(-c2nnn[n-]2)c1 ZINC001592642524 983191621 /nfs/dbraw/zinc/19/16/21/983191621.db2.gz ZYKNSZMYVUZILE-UHFFFAOYSA-N -1 3 247.277 2.360 20 0 BEADHM Fc1cc(NC2CCCC2)cc(-c2nn[n-]n2)c1 ZINC001592642524 983191625 /nfs/dbraw/zinc/19/16/25/983191625.db2.gz ZYKNSZMYVUZILE-UHFFFAOYSA-N -1 3 247.277 2.360 20 0 BEADHM CC(=O)c1ncccc1Nc1cncc([O-])c1 ZINC001201633381 983362982 /nfs/dbraw/zinc/36/29/82/983362982.db2.gz HCCVKJCBYOZZGT-UHFFFAOYSA-N -1 3 229.239 2.128 20 0 BEADHM CCCc1ccc(CN[C@@H](CF)C(=O)[O-])cc1 ZINC001596064259 983376164 /nfs/dbraw/zinc/37/61/64/983376164.db2.gz CHPQUZBXAYAXCH-LBPRGKRZSA-N -1 3 239.290 2.151 20 0 BEADHM [O-]c1cc(F)ccc1-c1ccc2c(n1)CNCC2 ZINC001242217525 983414380 /nfs/dbraw/zinc/41/43/80/983414380.db2.gz IOXDZFXDDOSWHB-UHFFFAOYSA-N -1 3 244.269 2.239 20 0 BEADHM Cc1cc(-c2ccc(F)cc2[O-])cc(=O)o1 ZINC001242218863 983419319 /nfs/dbraw/zinc/41/93/19/983419319.db2.gz RUFAQPJGUPZERF-UHFFFAOYSA-N -1 3 220.199 2.460 20 0 BEADHM O=C1NCc2ccc(-c3ccc(F)cc3[O-])cc21 ZINC001242218206 983421000 /nfs/dbraw/zinc/42/10/00/983421000.db2.gz XNOWZGAINICHRF-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM [O-]c1cc(F)cnc1Nc1cnn(C(F)F)c1 ZINC001201731513 983471058 /nfs/dbraw/zinc/47/10/58/983471058.db2.gz SDKQXGLKOFOMIT-UHFFFAOYSA-N -1 3 244.176 2.262 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@@H]1C1CC1 ZINC000717041099 983508543 /nfs/dbraw/zinc/50/85/43/983508543.db2.gz WHNWPBVNHBPLBI-MNOVXSKESA-N -1 3 231.295 2.229 20 0 BEADHM [O-]c1c(F)cccc1-c1cnc2[nH]cnc2c1 ZINC001242351613 983621430 /nfs/dbraw/zinc/62/14/30/983621430.db2.gz YSMBGZRIDFQNES-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM Cc1cc(-c2cccc(F)c2[O-])cc(=O)o1 ZINC001242352017 983627260 /nfs/dbraw/zinc/62/72/60/983627260.db2.gz HWGLTCADTHTWBM-UHFFFAOYSA-N -1 3 220.199 2.460 20 0 BEADHM Cc1ccc(C(=O)N[C@@H]2C[C@@H]2C2CC2)c([O-])c1 ZINC000717106785 983811627 /nfs/dbraw/zinc/81/16/27/983811627.db2.gz GDOTYUJZELABTN-VXGBXAGGSA-N -1 3 231.295 2.229 20 0 BEADHM S=c1ccc(-c2ccc3ncncc3c2)n[n-]1 ZINC001242512269 983835187 /nfs/dbraw/zinc/83/51/87/983835187.db2.gz ZVGHQZINOXFAIM-UHFFFAOYSA-N -1 3 240.291 2.376 20 0 BEADHM CCC[C@H](O)CNc1cc([O-])c(F)cc1F ZINC001252790511 983887150 /nfs/dbraw/zinc/88/71/50/983887150.db2.gz CNCZKDJZYIFNQM-ZETCQYMHSA-N -1 3 231.242 2.243 20 0 BEADHM CCNC(=O)Nc1nc2c(cccc2[O-])s1 ZINC001202535764 983894125 /nfs/dbraw/zinc/89/41/25/983894125.db2.gz MHIQSZRKYVXZSH-UHFFFAOYSA-N -1 3 237.284 2.143 20 0 BEADHM Cc1oncc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001242603851 983958782 /nfs/dbraw/zinc/95/87/82/983958782.db2.gz BSLRGKBYIBWJMF-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM Cc1oncc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001242603851 983958797 /nfs/dbraw/zinc/95/87/97/983958797.db2.gz BSLRGKBYIBWJMF-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM Cc1oncc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001242603938 983959005 /nfs/dbraw/zinc/95/90/05/983959005.db2.gz FXYGWOYKZVLVKO-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM Cc1oncc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001242603938 983959024 /nfs/dbraw/zinc/95/90/24/983959024.db2.gz FXYGWOYKZVLVKO-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM CCCn1nccc1-c1ccc(=S)[n-]n1 ZINC001242845261 984183846 /nfs/dbraw/zinc/18/38/46/984183846.db2.gz PGMXUAZPYUAAFE-UHFFFAOYSA-N -1 3 220.301 2.039 20 0 BEADHM NCc1cccc(-c2cccc([S-])c2)n1 ZINC001242865345 984210055 /nfs/dbraw/zinc/21/00/55/984210055.db2.gz APVKSFRSSBYCIM-UHFFFAOYSA-N -1 3 216.309 2.496 20 0 BEADHM [S-]c1cccc(-c2ncnc3c2CCNC3)c1 ZINC001242865429 984210464 /nfs/dbraw/zinc/21/04/64/984210464.db2.gz FIYAJPIYZPGKPV-UHFFFAOYSA-N -1 3 243.335 2.078 20 0 BEADHM NCc1cc(-c2cccc([S-])c2)ccn1 ZINC001242868344 984215262 /nfs/dbraw/zinc/21/52/62/984215262.db2.gz PDXSFQNYXLUDJO-UHFFFAOYSA-N -1 3 216.309 2.496 20 0 BEADHM Fc1ccc(-c2nnn[n-]2)cc1-c1nccs1 ZINC001242898268 984260531 /nfs/dbraw/zinc/26/05/31/984260531.db2.gz XEMQWJDHIXHBGC-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM Fc1ccc(-c2nn[n-]n2)cc1-c1nccs1 ZINC001242898268 984260541 /nfs/dbraw/zinc/26/05/41/984260541.db2.gz XEMQWJDHIXHBGC-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM CCc1onc(C)c1[N-]C(=O)c1ccsn1 ZINC001435575068 984293277 /nfs/dbraw/zinc/29/32/77/984293277.db2.gz PSPWLEOOPJVVTG-UHFFFAOYSA-N -1 3 237.284 2.254 20 0 BEADHM COC(=O)c1ccc(-c2ccc(F)c([O-])c2)nc1 ZINC001243047748 984392124 /nfs/dbraw/zinc/39/21/24/984392124.db2.gz FSVXKWPZNCUTFO-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM Nc1cccc(-c2ccc(F)c([O-])c2)n1 ZINC001243046902 984392942 /nfs/dbraw/zinc/39/29/42/984392942.db2.gz AFELBPIOLQEZBW-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM Nc1cc(-c2ccc(F)c([O-])c2)ncc1F ZINC001243048243 984394112 /nfs/dbraw/zinc/39/41/12/984394112.db2.gz MBSZYIBWVUMCBL-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM CCOc1ncc(-c2ccc(F)c([O-])c2)cn1 ZINC001243049476 984395783 /nfs/dbraw/zinc/39/57/83/984395783.db2.gz PPPUMENJKNSAQJ-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM COC(=O)c1ccncc1-c1ccc(F)c([O-])c1 ZINC001243048761 984396834 /nfs/dbraw/zinc/39/68/34/984396834.db2.gz IWYOQHUIOLKKNH-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM CN(C)c1ccc(-c2ccc(F)c([O-])c2)nn1 ZINC001243048676 984397909 /nfs/dbraw/zinc/39/79/09/984397909.db2.gz MZDUAVRISUCBFX-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM [O-]c1cc(-c2cc3c(nn2)CCC3)ccc1F ZINC001243049695 984401899 /nfs/dbraw/zinc/40/18/99/984401899.db2.gz OMXMDIIRAGTEKM-UHFFFAOYSA-N -1 3 230.242 2.477 20 0 BEADHM [O-]c1cc(-c2cccn3ncnc23)ccc1F ZINC001243050168 984401968 /nfs/dbraw/zinc/40/19/68/984401968.db2.gz RJSIWCYWVQQCRD-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM [O-]c1cc(-c2ccc3nncn3c2)ccc1F ZINC001243050432 984403750 /nfs/dbraw/zinc/40/37/50/984403750.db2.gz VYXHTFDDVHGOQN-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM [O-]c1cc(-c2cc3nccc-3[n-][nH+]2)ccc1F ZINC001243049730 984404606 /nfs/dbraw/zinc/40/46/06/984404606.db2.gz PKVOOCPKHNQNPO-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM Cc1nc(N)ccc1-c1ccc(F)c([O-])c1 ZINC001243061133 984440758 /nfs/dbraw/zinc/44/07/58/984440758.db2.gz FHXUXSOLRJWGJZ-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccnn1 ZINC001446527885 984658455 /nfs/dbraw/zinc/65/84/55/984658455.db2.gz SBFKRGSBBJIYGP-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM Cc1ccc(-c2ccc(CN)nc2)cc1C(=O)[O-] ZINC001243195259 984673202 /nfs/dbraw/zinc/67/32/02/984673202.db2.gz OLMDCVKUSDYYGM-UHFFFAOYSA-N -1 3 242.278 2.214 20 0 BEADHM Cc1cc(C(=O)[O-])ccc1-c1ccnc(CN)c1 ZINC001243205132 984695868 /nfs/dbraw/zinc/69/58/68/984695868.db2.gz ZDQFPIIXVGSWKP-UHFFFAOYSA-N -1 3 242.278 2.214 20 0 BEADHM O=Cc1cc(C(=O)Nc2cc(F)ccc2[O-])co1 ZINC001447284615 984752158 /nfs/dbraw/zinc/75/21/58/984752158.db2.gz BLGXIYWAMREVDD-UHFFFAOYSA-N -1 3 249.197 2.189 20 0 BEADHM CCc1cccc(C(=O)NOC(C)C)c1[O-] ZINC001326702651 984819399 /nfs/dbraw/zinc/81/93/99/984819399.db2.gz XBOJHJLECABUSI-UHFFFAOYSA-N -1 3 223.272 2.024 20 0 BEADHM Nc1ccnc(-c2ccc([O-])c(F)c2F)c1 ZINC001243340262 984829754 /nfs/dbraw/zinc/82/97/54/984829754.db2.gz ZYUYPSSSLFRQFD-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM COCc1ccc(-c2cccc([O-])c2F)nn1 ZINC001243546947 985062926 /nfs/dbraw/zinc/06/29/26/985062926.db2.gz RWOOUWUCTGKYAX-UHFFFAOYSA-N -1 3 234.230 2.135 20 0 BEADHM COc1cc(-c2cccc([O-])c2F)nc(C)n1 ZINC001243541211 985068368 /nfs/dbraw/zinc/06/83/68/985068368.db2.gz AVUSBWMMFOWKGY-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM Cc1ncc(F)c(-c2cccc([O-])c2F)n1 ZINC001243543824 985073853 /nfs/dbraw/zinc/07/38/53/985073853.db2.gz QITOEBFIMYCGRM-UHFFFAOYSA-N -1 3 222.194 2.436 20 0 BEADHM COC(=O)c1cccc(-c2cccc([O-])c2F)n1 ZINC001243542927 985076219 /nfs/dbraw/zinc/07/62/19/985076219.db2.gz RBXITYWSMQUUDI-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM Cn1ccc2ncnc(-c3cccc([O-])c3F)c21 ZINC001243541744 985077202 /nfs/dbraw/zinc/07/72/02/985077202.db2.gz FCKNDEXARUFHFT-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM Nc1cccnc1-c1cccc([O-])c1F ZINC001243542189 985078726 /nfs/dbraw/zinc/07/87/26/985078726.db2.gz ILGPBXLRQJQCMY-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM [O-]c1cccc(-c2cc3[nH]cnc3cn2)c1F ZINC001243543826 985079870 /nfs/dbraw/zinc/07/98/70/985079870.db2.gz QKYHVXKCMAQYET-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM CCn1ccc(-c2cccc([O-])c2F)cc1=O ZINC001243545361 985080912 /nfs/dbraw/zinc/08/09/12/985080912.db2.gz GLHJMJIATROZHH-UHFFFAOYSA-N -1 3 233.242 2.380 20 0 BEADHM O=C1NCc2ccc(-c3cccc([O-])c3F)cc21 ZINC001243545209 985085309 /nfs/dbraw/zinc/08/53/09/985085309.db2.gz XWWNYRMZSYGQTK-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM CC(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001589040738 985092022 /nfs/dbraw/zinc/09/20/22/985092022.db2.gz BBUSMKLOEHGDIX-GFCCVEGCSA-N -1 3 249.310 2.017 20 0 BEADHM NC(=O)Cc1ccc(-c2cccc([O-])c2F)cc1 ZINC001243547879 985096388 /nfs/dbraw/zinc/09/63/88/985096388.db2.gz ZTJCDFPYNWJTKI-UHFFFAOYSA-N -1 3 245.253 2.226 20 0 BEADHM [O-]c1cccc(-c2cnc(F)cn2)c1F ZINC001243547207 985098260 /nfs/dbraw/zinc/09/82/60/985098260.db2.gz MZZIBIVDLPZPMR-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM [O-]c1ccc(-c2nnc(C3CCCC3)o2)nc1 ZINC001257499533 985122820 /nfs/dbraw/zinc/12/28/20/985122820.db2.gz GXTZMRYBBWRTFL-UHFFFAOYSA-N -1 3 231.255 2.495 20 0 BEADHM CCCO[N-]C(=O)Cc1ccc(C)c(C)c1 ZINC000686763419 985210451 /nfs/dbraw/zinc/21/04/51/985210451.db2.gz LDGRTGBNVGPBCT-UHFFFAOYSA-N -1 3 221.300 2.304 20 0 BEADHM CCCO[N-]C(=O)CCc1ccc(F)cc1 ZINC000686767955 985212621 /nfs/dbraw/zinc/21/26/21/985212621.db2.gz OBTBHKPTPZWEEN-UHFFFAOYSA-N -1 3 225.263 2.216 20 0 BEADHM CO[C@@H]1CC[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC000687208968 985264643 /nfs/dbraw/zinc/26/46/43/985264643.db2.gz VAVAASKSIGXLCR-WDEREUQCSA-N -1 3 249.310 2.032 20 0 BEADHM NCc1cc(-c2cc(F)c([O-])c(F)c2)ccn1 ZINC001244098074 985811566 /nfs/dbraw/zinc/81/15/66/985811566.db2.gz WPMMYKXAAHDWBI-UHFFFAOYSA-N -1 3 236.221 2.191 20 0 BEADHM Cc1[nH]c(CN2C[C@@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC001599964573 985874377 /nfs/dbraw/zinc/87/43/77/985874377.db2.gz NQSDZIUSSINZOK-GWCFXTLKSA-N -1 3 248.326 2.396 20 0 BEADHM COc1cc(C(=O)[O-])cc(-c2cc(N)ccn2)c1 ZINC001244175124 985879782 /nfs/dbraw/zinc/87/97/82/985879782.db2.gz HJOHBVZTZRYFET-UHFFFAOYSA-N -1 3 244.250 2.038 20 0 BEADHM Cc1ccc(-c2ccc(=S)[n-]n2)c(N)c1 ZINC001244390878 986026238 /nfs/dbraw/zinc/02/62/38/986026238.db2.gz FHDDKBDFJVGWQT-UHFFFAOYSA-N -1 3 217.297 2.323 20 0 BEADHM CC(C)(C)[C@@H](O)CNc1cc([O-])c(F)cc1F ZINC001253733897 986348821 /nfs/dbraw/zinc/34/88/21/986348821.db2.gz SBAONCRIVRHTQJ-NSHDSACASA-N -1 3 245.269 2.489 20 0 BEADHM O=C([N-]c1nocc1C1CC1)c1cncs1 ZINC001462552954 986425992 /nfs/dbraw/zinc/42/59/92/986425992.db2.gz JVUQHQRRLVTXKN-UHFFFAOYSA-N -1 3 235.268 2.261 20 0 BEADHM Cc1nocc1C(=O)[N-]c1nocc1C1CC1 ZINC001462552329 986426709 /nfs/dbraw/zinc/42/67/09/986426709.db2.gz CAVPXKXSTYPEOL-UHFFFAOYSA-N -1 3 233.227 2.101 20 0 BEADHM NC(=O)c1cncc(-c2cc(Cl)ccc2[O-])c1 ZINC001245050736 986611932 /nfs/dbraw/zinc/61/19/32/986611932.db2.gz MPULOZYCFRUUDS-UHFFFAOYSA-N -1 3 248.669 2.207 20 0 BEADHM NC(=O)c1cccc(-c2ccc([O-])cc2Cl)n1 ZINC001245079447 986641529 /nfs/dbraw/zinc/64/15/29/986641529.db2.gz SPIDHLDBZDESHD-UHFFFAOYSA-N -1 3 248.669 2.207 20 0 BEADHM [O-]c1ccc(-c2ccc3nncn3n2)c(Cl)c1 ZINC001245081905 986645500 /nfs/dbraw/zinc/64/55/00/986645500.db2.gz MYNLYVBHUOWPOF-UHFFFAOYSA-N -1 3 246.657 2.150 20 0 BEADHM [O-]c1ccc(-c2ncnc3[nH]cnc32)c(Cl)c1 ZINC001245081033 986645968 /nfs/dbraw/zinc/64/59/68/986645968.db2.gz VWZIAQNKEYQZRY-UHFFFAOYSA-N -1 3 246.657 2.379 20 0 BEADHM CC(C)CNC(=S)Nc1c([O-])cccc1F ZINC001245243658 986762633 /nfs/dbraw/zinc/76/26/33/986762633.db2.gz ZPGBKINBCDYVBA-UHFFFAOYSA-N -1 3 242.319 2.474 20 0 BEADHM CC(C)Oc1ncc(-c2ccc(=S)[n-]n2)cn1 ZINC001245261234 986766249 /nfs/dbraw/zinc/76/62/49/986766249.db2.gz IEJPNNNMAMWRAK-UHFFFAOYSA-N -1 3 248.311 2.010 20 0 BEADHM S=c1ccc(-c2cc3ccc[nH]c-3n2)n[n-]1 ZINC001245400222 986841169 /nfs/dbraw/zinc/84/11/69/986841169.db2.gz OSFBKGXVEZBSKP-UHFFFAOYSA-N -1 3 228.280 2.309 20 0 BEADHM Cc1cc(-c2c([O-])cccc2F)n(C)n1 ZINC001245652874 987017389 /nfs/dbraw/zinc/01/73/89/987017389.db2.gz CXDFCLFGBALKKX-UHFFFAOYSA-N -1 3 206.220 2.240 20 0 BEADHM COC(=O)c1cc(-c2c([O-])cccc2F)ccn1 ZINC001245652507 987019524 /nfs/dbraw/zinc/01/95/24/987019524.db2.gz DKRPHTCXFFMGDJ-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM Nc1nccc(F)c1-c1c([O-])cccc1F ZINC001245652898 987020324 /nfs/dbraw/zinc/02/03/24/987020324.db2.gz CZHSFEDZQDYVNP-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM NC(=O)c1ccc(F)cc1-c1c([O-])cccc1F ZINC001245653859 987026417 /nfs/dbraw/zinc/02/64/17/987026417.db2.gz GGGDHRIGTQZKSV-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM CN(C)c1ncc(-c2c([O-])cccc2F)cn1 ZINC001245655155 987032291 /nfs/dbraw/zinc/03/22/91/987032291.db2.gz VXUMEMQPFPNHRM-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM CC(C)Cc1nnc(-c2c([O-])cccc2O)o1 ZINC001256412687 987220894 /nfs/dbraw/zinc/22/08/94/987220894.db2.gz MSXDTODQMVYXPZ-UHFFFAOYSA-N -1 3 234.255 2.346 20 0 BEADHM C[C@H](C(=O)[O-])C1(NCc2ccc(Cl)o2)CC1 ZINC001118224543 988130911 /nfs/dbraw/zinc/13/09/11/988130911.db2.gz JGYJFINLGAWOCC-SSDOTTSWSA-N -1 3 243.690 2.276 20 0 BEADHM Cc1ccc(CC(=O)[N-]OC(C)(C)C)cc1O ZINC001323392119 988518220 /nfs/dbraw/zinc/51/82/20/988518220.db2.gz IPBNZUDEKBEBNN-UHFFFAOYSA-N -1 3 237.299 2.089 20 0 BEADHM CC(C)(C)OCCCC(=O)[N-]OC(C)(C)C ZINC001324910870 989018299 /nfs/dbraw/zinc/01/82/99/989018299.db2.gz ISYUVUGBDHSULW-UHFFFAOYSA-N -1 3 231.336 2.428 20 0 BEADHM Cc1cc(CN[C@@H]2C=CCCC2)oc1C(=O)[O-] ZINC001119602939 989221883 /nfs/dbraw/zinc/22/18/83/989221883.db2.gz AICMWOCKIYZOAR-SNVBAGLBSA-N -1 3 235.283 2.485 20 0 BEADHM CC(C)=CCSc1cc(-c2nnn[n-]2)ccn1 ZINC001603185916 989333384 /nfs/dbraw/zinc/33/33/84/989333384.db2.gz ACDXHEBXTOJAFI-UHFFFAOYSA-N -1 3 247.327 2.320 20 0 BEADHM CC(C)=CCSc1cc(-c2nn[n-]n2)ccn1 ZINC001603185916 989333391 /nfs/dbraw/zinc/33/33/91/989333391.db2.gz ACDXHEBXTOJAFI-UHFFFAOYSA-N -1 3 247.327 2.320 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC001120857500 989928197 /nfs/dbraw/zinc/92/81/97/989928197.db2.gz FMSPQKBMBYXGEY-OPRDCNLKSA-N -1 3 219.288 2.091 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@@H]1F ZINC001528046094 990264281 /nfs/dbraw/zinc/26/42/81/990264281.db2.gz JCAKVZHFWMWDMH-BQBZGAKWSA-N -1 3 229.638 2.342 20 0 BEADHM C/C=C\CN[C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001604852910 990351250 /nfs/dbraw/zinc/35/12/50/990351250.db2.gz SMGOZTNWGMEZDZ-TYRPZCRBSA-N -1 3 220.272 2.007 20 0 BEADHM O=C([N-]c1ccnc(F)c1F)c1cscn1 ZINC001533335611 990427518 /nfs/dbraw/zinc/42/75/18/990427518.db2.gz VBBWMIJGIXKVPC-UHFFFAOYSA-N -1 3 241.222 2.069 20 0 BEADHM O=C([O-])c1ccc(CNC/C=C\Cl)s1 ZINC001606491067 990509994 /nfs/dbraw/zinc/50/99/94/990509994.db2.gz AXVRPGIQJWSOCC-RJRFIUFISA-N -1 3 231.704 2.288 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1C[C@H]1F ZINC001123796889 990671106 /nfs/dbraw/zinc/67/11/06/990671106.db2.gz TWNIDORZIVTRGE-CAHLUQPWSA-N -1 3 229.638 2.342 20 0 BEADHM COc1ccsc1C(=O)[N-]c1conc1C ZINC001557306488 990883737 /nfs/dbraw/zinc/88/37/37/990883737.db2.gz NVVIRNUAMRGZIC-UHFFFAOYSA-N -1 3 238.268 2.305 20 0 BEADHM O=C(CCc1ccoc1)[N-]Oc1ccccc1F ZINC001558226956 990931393 /nfs/dbraw/zinc/93/13/93/990931393.db2.gz PAUGBUDYLSAQDP-UHFFFAOYSA-N -1 3 249.241 2.462 20 0 BEADHM CC[C@@H]1CCN(C(=O)c2c([O-])cccc2O)[C@@H]1C ZINC001558968558 991008656 /nfs/dbraw/zinc/00/86/56/991008656.db2.gz UYNKJPMAIAJXLC-NXEZZACHSA-N -1 3 249.310 2.358 20 0 BEADHM O=C(NCCF)c1cc2sccc2c([O-])c1 ZINC001139556044 991267879 /nfs/dbraw/zinc/26/78/79/991267879.db2.gz LCBAQHMPJNURDG-UHFFFAOYSA-N -1 3 239.271 2.306 20 0 BEADHM [O-]c1cnccc1CN1CCc2ccsc2C1 ZINC001140277619 991592018 /nfs/dbraw/zinc/59/20/18/991592018.db2.gz HUKHOOGDLKWNMX-UHFFFAOYSA-N -1 3 246.335 2.407 20 0 BEADHM [O-]c1cnccc1CN1CCC(F)(F)CC1 ZINC001140275764 991592201 /nfs/dbraw/zinc/59/22/01/991592201.db2.gz QXEQTABBUHYQFB-UHFFFAOYSA-N -1 3 228.242 2.018 20 0 BEADHM Cc1ncccc1CN(C)Cc1ccncc1[O-] ZINC001140282157 991605774 /nfs/dbraw/zinc/60/57/74/991605774.db2.gz ODFOQSFFZIOUHM-UHFFFAOYSA-N -1 3 243.310 2.123 20 0 BEADHM CCOc1cc(C)c([N-]c2nnc(C)o2)cn1 ZINC001203040811 991652404 /nfs/dbraw/zinc/65/24/04/991652404.db2.gz AOKVFZUXDGGUEV-UHFFFAOYSA-N -1 3 234.259 2.224 20 0 BEADHM O=C([N-]C[C@H]1C[C@H]1C1CCCC1)C(F)(F)F ZINC001562030791 991736372 /nfs/dbraw/zinc/73/63/72/991736372.db2.gz VAMUNSSOIOFCJM-BDAKNGLRSA-N -1 3 235.249 2.491 20 0 BEADHM CC[C@H](C[C@@H](C)CC)Nc1cnc(C)[n-]c1=O ZINC001258787561 991763778 /nfs/dbraw/zinc/76/37/78/991763778.db2.gz UUDRDYNWOAMULX-MVWJERBFSA-N -1 3 237.347 2.189 20 0 BEADHM Cc1ccc(C(=O)N2CC3(CCC3)C2)c([O-])c1 ZINC001566350734 991841623 /nfs/dbraw/zinc/84/16/23/991841623.db2.gz MHJBKBYZBMJJIG-UHFFFAOYSA-N -1 3 231.295 2.327 20 0 BEADHM Cc1ccccc1[C@H](C)[N-]S(=O)(=O)C(F)F ZINC001259961678 992061013 /nfs/dbraw/zinc/06/10/13/992061013.db2.gz QDRHNFULOSQSAZ-QMMMGPOBSA-N -1 3 249.282 2.198 20 0 BEADHM CC[C@@H](C)S(=O)(=O)Nc1ccc(F)c([O-])c1 ZINC001260738395 992152765 /nfs/dbraw/zinc/15/27/65/992152765.db2.gz MZWFOYLBHRDWOW-SSDOTTSWSA-N -1 3 247.291 2.072 20 0 BEADHM CC[C@H](C)S(=O)(=O)Nc1ccc(F)cc1[O-] ZINC001260738868 992153063 /nfs/dbraw/zinc/15/30/63/992153063.db2.gz FULLBILQIGHYSQ-ZETCQYMHSA-N -1 3 247.291 2.072 20 0 BEADHM C[C@@H]1CCC(C)(C)N1C(=O)c1ccc(N)cc1[O-] ZINC001262037456 992623981 /nfs/dbraw/zinc/62/39/81/992623981.db2.gz XLMCMCZBPYIZBU-SECBINFHSA-N -1 3 248.326 2.378 20 0 BEADHM CC1=C(C(=O)[N-]OC(C)(C)C)CCN1C(C)C ZINC001262483877 992891716 /nfs/dbraw/zinc/89/17/16/992891716.db2.gz PPJUPADPAUTEBA-UHFFFAOYSA-N -1 3 240.347 2.221 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@@H]2CCCC2(F)F)n1 ZINC001262698080 993039063 /nfs/dbraw/zinc/03/90/63/993039063.db2.gz JERKMSJBKWUPBD-QMMMGPOBSA-N -1 3 243.257 2.338 20 0 BEADHM CCOc1cc(C(=O)[N-]c2ccsc2)on1 ZINC001265373438 993846399 /nfs/dbraw/zinc/84/63/99/993846399.db2.gz IWBGYPGGRMJRET-UHFFFAOYSA-N -1 3 238.268 2.387 20 0 BEADHM C[C@H](N[C@H]1CC12CC2)c1cc(C(=O)[O-])co1 ZINC001593220152 994308701 /nfs/dbraw/zinc/30/87/01/994308701.db2.gz QPNSLPNRHBNNFP-XVKPBYJWSA-N -1 3 221.256 2.181 20 0 BEADHM Cc1coc(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC001297167041 994855592 /nfs/dbraw/zinc/85/55/92/994855592.db2.gz UHZJQYAUJOKEMN-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM CC1=C[C@H](C)CN(Cc2occc2C(=O)[O-])C1 ZINC001594110466 998211243 /nfs/dbraw/zinc/21/12/43/998211243.db2.gz WPVPVDOJKGTTCI-VIFPVBQESA-N -1 3 235.283 2.376 20 0 BEADHM Cn1cc(CNCc2ccccc2)cc1C(=O)[O-] ZINC001610604626 1170083336 /nfs/dbraw/zinc/08/33/36/1170083336.db2.gz MFADJAHLQQYBTP-UHFFFAOYSA-N -1 3 244.294 2.013 20 0 BEADHM Cc1cc(NC[C@@H]2C[C@H]2C)cc(-c2nnn[n-]2)c1 ZINC001609409844 1170256400 /nfs/dbraw/zinc/25/64/00/1170256400.db2.gz YYNJKMYOOYNLCN-KOLCDFICSA-N -1 3 243.314 2.243 20 0 BEADHM Cc1cc(NC[C@@H]2C[C@H]2C)cc(-c2nn[n-]n2)c1 ZINC001609409844 1170256403 /nfs/dbraw/zinc/25/64/03/1170256403.db2.gz YYNJKMYOOYNLCN-KOLCDFICSA-N -1 3 243.314 2.243 20 0 BEADHM CC1=C[C@@H](C)CN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC001609829188 1170297690 /nfs/dbraw/zinc/29/76/90/1170297690.db2.gz ZCNQMPZQBZZJLC-SNVBAGLBSA-N -1 3 246.310 2.178 20 0 BEADHM CC[C@@H](COC)N[C@H](C)c1cc(C(=O)[O-])co1 ZINC001609926059 1170320289 /nfs/dbraw/zinc/32/02/89/1170320289.db2.gz IQVQRTPHFCQUEB-SCZZXKLOSA-N -1 3 241.287 2.053 20 0 BEADHM CC[C@@H](COC)N[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001609926061 1170319746 /nfs/dbraw/zinc/31/97/46/1170319746.db2.gz IQVQRTPHFCQUEB-WPRPVWTQSA-N -1 3 241.287 2.053 20 0 BEADHM CCc1oc(CNCC[C@@H](C)F)cc1C(=O)[O-] ZINC001610081675 1170349366 /nfs/dbraw/zinc/34/93/66/1170349366.db2.gz QCFIINLZNREVNE-MRVPVSSYSA-N -1 3 243.278 2.378 20 0 BEADHM Cc1ncoc1C(=O)[N-]c1nocc1C1CC1 ZINC001610991114 1170425695 /nfs/dbraw/zinc/42/56/95/1170425695.db2.gz XROHTZUCHXYKPU-UHFFFAOYSA-N -1 3 233.227 2.101 20 0 BEADHM COc1ccc(C(=O)N2CC3(CCC3)C2)c([O-])c1 ZINC001622596337 1170495425 /nfs/dbraw/zinc/49/54/25/1170495425.db2.gz SFFGCTVMRGGRAS-UHFFFAOYSA-N -1 3 247.294 2.027 20 0 BEADHM CCc1cc([N-]C(=O)c2coc(C3CC3)n2)no1 ZINC001617904872 1170609035 /nfs/dbraw/zinc/60/90/35/1170609035.db2.gz GZAYQJXEJRICLM-UHFFFAOYSA-N -1 3 247.254 2.355 20 0 BEADHM CC[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@@H]1C ZINC001633403343 1171577660 /nfs/dbraw/zinc/57/76/60/1171577660.db2.gz DMWIMYBOMGTGLS-ZJUUUORDSA-N -1 3 249.310 2.358 20 0 BEADHM COc1cccc(C(=O)N2[C@H](C)CC[C@H]2C)c1[O-] ZINC000162449517 398138210 /nfs/dbraw/zinc/13/82/10/398138210.db2.gz DSBUPBRHECXGKY-NXEZZACHSA-N -1 3 249.310 2.414 20 0 BEADHM O=C(Nc1ccncc1[O-])C1CCCCC1 ZINC000109890419 136215470 /nfs/dbraw/zinc/21/54/70/136215470.db2.gz YKFSPGDCMQQFAC-UHFFFAOYSA-N -1 3 220.272 2.306 20 0 BEADHM O=c1[n-]c(C2CCSCC2)nc2cccnc21 ZINC000491574430 538921122 /nfs/dbraw/zinc/92/11/22/538921122.db2.gz WHWSXGFJRROPRB-UHFFFAOYSA-N -1 3 247.323 2.341 20 0 BEADHM O=C(/C=C/C1CCOCC1)Nc1ccccc1[O-] ZINC000118761109 398190692 /nfs/dbraw/zinc/19/06/92/398190692.db2.gz WPPHGRYUCOADGR-AATRIKPKSA-N -1 3 247.294 2.314 20 0 BEADHM Cc1cc(NC(=O)[N-]OC2CCCC2)ccn1 ZINC000271857013 178141250 /nfs/dbraw/zinc/14/12/50/178141250.db2.gz SQGALTGBQUJLLE-UHFFFAOYSA-N -1 3 235.287 2.386 20 0 BEADHM CC[C@](C)(OC)C(=O)Nc1cccc([O-])c1F ZINC000576455144 365600363 /nfs/dbraw/zinc/60/03/63/365600363.db2.gz MSFZFHVQYUYGNE-LBPRGKRZSA-N -1 3 241.262 2.285 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](C3CC3)C2)n1 ZINC000370501487 178203670 /nfs/dbraw/zinc/20/36/70/178203670.db2.gz WNPPQTRMBFQHFZ-PWSUYJOCSA-N -1 3 247.342 2.284 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCCCCC2)n1 ZINC000177911719 178203873 /nfs/dbraw/zinc/20/38/73/178203873.db2.gz YJFDZSWZOYJKIB-LLVKDONJSA-N -1 3 235.331 2.428 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H]2C[C@H]21 ZINC000650074620 398231561 /nfs/dbraw/zinc/23/15/61/398231561.db2.gz BVBYXXIQGQFYGL-CMPLNLGQSA-N -1 3 249.285 2.085 20 0 BEADHM Cc1coc(-c2cc(C(F)(F)F)[n-]n2)n1 ZINC000649444111 398245839 /nfs/dbraw/zinc/24/58/39/398245839.db2.gz CBFDRPGBHFDXRW-UHFFFAOYSA-N -1 3 217.150 2.392 20 0 BEADHM Cc1ccc(C(=O)N2CCCC2)c([O-])c1C ZINC000048369843 178386053 /nfs/dbraw/zinc/38/60/53/178386053.db2.gz ZCPOKONNSVVKSX-UHFFFAOYSA-N -1 3 219.284 2.245 20 0 BEADHM C[C@@H]1[C@@H](C)[C@H](C)CN1c1ccncc1C(=O)[O-] ZINC000399708299 342740923 /nfs/dbraw/zinc/74/09/23/342740923.db2.gz XYAFRGCEKQOLFT-KXUCPTDWSA-N -1 3 234.299 2.261 20 0 BEADHM CCC(CC)NC(=O)c1c([O-])cccc1O ZINC000179385097 168384980 /nfs/dbraw/zinc/38/49/80/168384980.db2.gz FDLZCTYAEOEJBH-UHFFFAOYSA-N -1 3 223.272 2.016 20 0 BEADHM C[C@@H]1CN(Cc2cc([O-])ccc2Cl)CCO1 ZINC000625041553 342845321 /nfs/dbraw/zinc/84/53/21/342845321.db2.gz BOSJKTFDGRMNNX-SECBINFHSA-N -1 3 241.718 2.266 20 0 BEADHM C[C@H](C1CCC1)N(C)C(=O)c1csc(=O)[n-]1 ZINC000350763145 398302011 /nfs/dbraw/zinc/30/20/11/398302011.db2.gz LMWXUHZTZIFJGF-SSDOTTSWSA-N -1 3 240.328 2.109 20 0 BEADHM CC[C@@H](C)N(CC)C(=O)c1ccc(O)cc1[O-] ZINC000233852608 342891816 /nfs/dbraw/zinc/89/18/16/342891816.db2.gz REMREEGVMJOMBX-SECBINFHSA-N -1 3 237.299 2.358 20 0 BEADHM CCCCC(=O)[N-]OCc1ccccc1 ZINC000015780032 342900813 /nfs/dbraw/zinc/90/08/13/342900813.db2.gz VMBUWECXJPHHKM-UHFFFAOYSA-N -1 3 207.273 2.425 20 0 BEADHM CCN(C(=O)c1cccc([O-])c1)C(C)C ZINC000037082608 342918085 /nfs/dbraw/zinc/91/80/85/342918085.db2.gz GMAAMWGLXVTNGO-UHFFFAOYSA-N -1 3 207.273 2.263 20 0 BEADHM CCc1nnc([N-]C(=O)c2occc2C)s1 ZINC000016961066 342918282 /nfs/dbraw/zinc/91/82/82/342918282.db2.gz MTVZRODTEZFGRB-UHFFFAOYSA-N -1 3 237.284 2.254 20 0 BEADHM CC[C@H](C)N(CC)C(=O)c1ccc(O)cc1[O-] ZINC000233982833 342919670 /nfs/dbraw/zinc/91/96/70/342919670.db2.gz REMREEGVMJOMBX-VIFPVBQESA-N -1 3 237.299 2.358 20 0 BEADHM C[C@@H]1CCc2[n-]n(C3CCCC3)c(=O)c21 ZINC000634587891 342932410 /nfs/dbraw/zinc/93/24/10/342932410.db2.gz BTUZDQXKLHPFOE-KCJUWKMLSA-N -1 3 206.289 2.173 20 0 BEADHM COCCCCCNc1ccncc1C(=O)[O-] ZINC000234654888 342933134 /nfs/dbraw/zinc/93/31/34/342933134.db2.gz KFLLXQJTUCOKDA-UHFFFAOYSA-N -1 3 238.287 2.008 20 0 BEADHM CCc1[n-]n(-c2ccncc2)c(=O)c1C(C)C ZINC000634591820 342943824 /nfs/dbraw/zinc/94/38/24/342943824.db2.gz OYGCXPMOPBATEC-LBPRGKRZSA-N -1 3 231.299 2.466 20 0 BEADHM Cc1[n-]n(CCc2ccccc2)c(=O)c1C1CC1 ZINC000634592510 342946233 /nfs/dbraw/zinc/94/62/33/342946233.db2.gz MKXRQYFNMBMVLN-CQSZACIVSA-N -1 3 242.322 2.473 20 0 BEADHM Cc1ccc(NC(=O)c2cccc([O-])c2)nc1 ZINC000019836535 342959018 /nfs/dbraw/zinc/95/90/18/342959018.db2.gz QOYHHJPWEDJYTO-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM Cc1oc(CN2CCC[C@H]2C)cc1C(=O)[O-] ZINC000037911363 343001978 /nfs/dbraw/zinc/00/19/78/343001978.db2.gz QIGMUUSBRMOCRQ-MRVPVSSYSA-N -1 3 223.272 2.271 20 0 BEADHM CCc1[n-]n([C@@H]2CCCOC2)c(=O)c1C(C)C ZINC000634623008 343023848 /nfs/dbraw/zinc/02/38/48/343023848.db2.gz VBCJATBWNMZQFT-ZYHUDNBSSA-N -1 3 238.331 2.046 20 0 BEADHM Cc1ccc(F)c(CNCCCC(=O)[O-])c1 ZINC000235756158 343058713 /nfs/dbraw/zinc/05/87/13/343058713.db2.gz XTTMPGJJNJTHHZ-UHFFFAOYSA-N -1 3 225.263 2.089 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)/C=C/c1ccc(C)cn1 ZINC000492842483 529669354 /nfs/dbraw/zinc/66/93/54/529669354.db2.gz RWBLZJOKMODTFU-AEZGRPFRSA-N -1 3 248.326 2.497 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)/C=C\c1cncc(C)c1 ZINC000492885248 529669562 /nfs/dbraw/zinc/66/95/62/529669562.db2.gz CPXLSCVBYIMCBC-GZTOBOFZSA-N -1 3 248.326 2.497 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)/C=C\c1ccn(C)c1 ZINC000492842512 529669712 /nfs/dbraw/zinc/66/97/12/529669712.db2.gz RZCFMNVUMYSEJL-GZTOBOFZSA-N -1 3 236.315 2.132 20 0 BEADHM Cc1c2occ([O-])c2ccc1OCC(F)F ZINC000634560804 362049022 /nfs/dbraw/zinc/04/90/22/362049022.db2.gz YREZLYRAINVBCW-UHFFFAOYSA-N -1 3 228.194 2.214 20 0 BEADHM CCc1cccc(C(=O)N[C@@H](C)CC)c1[O-] ZINC000530641621 343145788 /nfs/dbraw/zinc/14/57/88/343145788.db2.gz ZIBWGOOVQCPMIR-VIFPVBQESA-N -1 3 221.300 2.483 20 0 BEADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1ccc(F)cc1F ZINC000093028818 343150737 /nfs/dbraw/zinc/15/07/37/343150737.db2.gz XGYYGROUKLBNEH-SFYZADRCSA-N -1 3 243.253 2.164 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H]2CCC2(C)C)n1 ZINC000576955070 365730945 /nfs/dbraw/zinc/73/09/45/365730945.db2.gz WOQZBWCIOZNZJR-UWVGGRQHSA-N -1 3 235.331 2.330 20 0 BEADHM CC1(C)CCCN(c2ccncc2C(=O)[O-])C1 ZINC000126225995 343169553 /nfs/dbraw/zinc/16/95/53/343169553.db2.gz GWHPQKCPZWPVKL-UHFFFAOYSA-N -1 3 234.299 2.406 20 0 BEADHM O=C([O-])c1cnccc1N1C[C@@H]2CCC[C@H]2C1 ZINC000159903093 343202942 /nfs/dbraw/zinc/20/29/42/343202942.db2.gz GJDABPGDBXVVFQ-UWVGGRQHSA-N -1 3 232.283 2.016 20 0 BEADHM C[C@@H]1C[C@@H](NCc2cccc(C(=O)[O-])c2)[C@H](C)O1 ZINC000395018342 362154146 /nfs/dbraw/zinc/15/41/46/362154146.db2.gz XNFGTCBPQZTFBK-GBIKHYSHSA-N -1 3 249.310 2.040 20 0 BEADHM CCN(Cc1cc(C(=O)[O-])co1)CC(C)C ZINC000051330347 343256306 /nfs/dbraw/zinc/25/63/06/343256306.db2.gz SZXMYGCJCCYKKQ-UHFFFAOYSA-N -1 3 225.288 2.456 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2C)c1 ZINC000037912262 343360633 /nfs/dbraw/zinc/36/06/33/343360633.db2.gz WHSWIXHDDFTPPC-SNVBAGLBSA-N -1 3 219.284 2.325 20 0 BEADHM C[C@@H]1COCCN1Cc1cc([O-])ccc1Cl ZINC000625374972 343361828 /nfs/dbraw/zinc/36/18/28/343361828.db2.gz BJSOQSPYOQUKHN-SECBINFHSA-N -1 3 241.718 2.266 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2C2CC2)n1 ZINC000335727045 136347362 /nfs/dbraw/zinc/34/73/62/136347362.db2.gz UFWBUFOFTMHBIH-VHSXEESVSA-N -1 3 232.283 2.080 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@](C)(F)C2)c([O-])c1 ZINC000335714779 136338721 /nfs/dbraw/zinc/33/87/21/136338721.db2.gz GPZWPVYXKRICKQ-ZDUSSCGKSA-N -1 3 237.274 2.275 20 0 BEADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1C(F)F ZINC000335898487 136359562 /nfs/dbraw/zinc/35/95/62/136359562.db2.gz PIKMYXOIUCDXKV-WDSKDSINSA-N -1 3 245.200 2.371 20 0 BEADHM CCN(CC(F)(F)F)C(=O)c1cccc([O-])c1 ZINC000042781344 343453081 /nfs/dbraw/zinc/45/30/81/343453081.db2.gz XWKMBKYMRIHMFR-UHFFFAOYSA-N -1 3 247.216 2.417 20 0 BEADHM Cc1noc(C)c1C(=O)Nc1ccccc1[O-] ZINC000048392154 136372743 /nfs/dbraw/zinc/37/27/43/136372743.db2.gz HGDYJDYMTGFNBS-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM CCC[C@H](NCc1cc(F)ccc1F)C(=O)[O-] ZINC000043459097 343473567 /nfs/dbraw/zinc/47/35/67/343473567.db2.gz GDJHOXFJLHHVBI-NSHDSACASA-N -1 3 243.253 2.308 20 0 BEADHM CS[C@@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000043005996 343462102 /nfs/dbraw/zinc/46/21/02/343462102.db2.gz QWBJODGJRWJEJY-QMMMGPOBSA-N -1 3 225.313 2.391 20 0 BEADHM O=C(c1ccc(O)cc1[O-])N1C[C@@H]2CCCC[C@@H]21 ZINC000616725261 343552853 /nfs/dbraw/zinc/55/28/53/343552853.db2.gz PHVPILFUOQBYCD-CABZTGNLSA-N -1 3 247.294 2.112 20 0 BEADHM O=C(c1cccc([O-])c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000616732273 343554844 /nfs/dbraw/zinc/55/48/44/343554844.db2.gz LRCLFXWULCIBOD-AAEUAGOBSA-N -1 3 231.295 2.407 20 0 BEADHM CC(C)[C@@H](NC(=O)c1csc(=O)[n-]1)C1CC1 ZINC000620041171 343591761 /nfs/dbraw/zinc/59/17/61/343591761.db2.gz IEFREZNSVYGRJE-SECBINFHSA-N -1 3 240.328 2.013 20 0 BEADHM O=C(N[C@@H]1CCCC12CCCCC2)c1c[n-]nn1 ZINC000312972193 343694747 /nfs/dbraw/zinc/69/47/47/343694747.db2.gz NPXJOOSYKBELQI-LLVKDONJSA-N -1 3 248.330 2.038 20 0 BEADHM O=C(N[C@@H]1CCCC12CCCCC2)c1cnn[n-]1 ZINC000312972193 343694748 /nfs/dbraw/zinc/69/47/48/343694748.db2.gz NPXJOOSYKBELQI-LLVKDONJSA-N -1 3 248.330 2.038 20 0 BEADHM O=C(N[C@@H]1CCCC12CCCCC2)c1cn[n-]n1 ZINC000312972193 343694751 /nfs/dbraw/zinc/69/47/51/343694751.db2.gz NPXJOOSYKBELQI-LLVKDONJSA-N -1 3 248.330 2.038 20 0 BEADHM CCO[N-]C(=O)CCc1ccc(C)cc1C ZINC000058590760 343701437 /nfs/dbraw/zinc/70/14/37/343701437.db2.gz MBELDZBHSOBXHC-UHFFFAOYSA-N -1 3 221.300 2.304 20 0 BEADHM C[C@@H]1[C@H](O)CCN1Cc1cc([O-])ccc1Cl ZINC000625462860 343865944 /nfs/dbraw/zinc/86/59/44/343865944.db2.gz WRIYBEDZWCADBI-PRHODGIISA-N -1 3 241.718 2.001 20 0 BEADHM CCO[C@@H](C(=O)Nc1ccccc1[O-])C(C)C ZINC000624488986 343909573 /nfs/dbraw/zinc/90/95/73/343909573.db2.gz PKYIPBACOZUOAE-GFCCVEGCSA-N -1 3 237.299 2.392 20 0 BEADHM CCO[N-]C(=O)CCC(=O)c1ccc(C)cc1 ZINC000069645102 343941649 /nfs/dbraw/zinc/94/16/49/343941649.db2.gz DTNRAPJJUNWVGL-UHFFFAOYSA-N -1 3 235.283 2.026 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@H]3C[C@H]3C2)c([O-])c1 ZINC000619357106 343931286 /nfs/dbraw/zinc/93/12/86/343931286.db2.gz FNFFLLKIZLLAPK-QWRGUYRKSA-N -1 3 231.295 2.183 20 0 BEADHM Cc1cccc([O-])c1C(=O)N(C)C1CCC1 ZINC000625852528 344123442 /nfs/dbraw/zinc/12/34/42/344123442.db2.gz KAHXZHZQKOKWGR-UHFFFAOYSA-N -1 3 219.284 2.325 20 0 BEADHM CCCCO[N-]C(=O)Cc1ccc(C)cc1 ZINC000085261698 344203615 /nfs/dbraw/zinc/20/36/15/344203615.db2.gz JTLHQBKFBCTDFJ-UHFFFAOYSA-N -1 3 221.300 2.385 20 0 BEADHM Cc1cccc(CN2CCC[C@@](C)(C(=O)[O-])C2)n1 ZINC000092431030 344294830 /nfs/dbraw/zinc/29/48/30/344294830.db2.gz IGZRGDFETQKRRA-CQSZACIVSA-N -1 3 248.326 2.077 20 0 BEADHM C[C@H](CC(=O)[O-])N(C)Cc1cc(F)cc(F)c1 ZINC000582133904 347045266 /nfs/dbraw/zinc/04/52/66/347045266.db2.gz SRQJHSNQKZBIDA-MRVPVSSYSA-N -1 3 243.253 2.260 20 0 BEADHM Cc1ccc(C(=O)N(C)C2CC2)c([O-])c1C ZINC000263730548 344518612 /nfs/dbraw/zinc/51/86/12/344518612.db2.gz GWMYNJCBZGGKAG-UHFFFAOYSA-N -1 3 219.284 2.243 20 0 BEADHM CCc1cc(C(=O)NCCCF)ccc1[O-] ZINC000577806141 344598163 /nfs/dbraw/zinc/59/81/63/344598163.db2.gz AFIKNGYOTMSILL-UHFFFAOYSA-N -1 3 225.263 2.044 20 0 BEADHM O=C(CC[C@H]1CCCO1)[N-]OCc1ccccc1 ZINC000046320159 344578999 /nfs/dbraw/zinc/57/89/99/344578999.db2.gz KGJNLNDVNUZCDO-CYBMUJFWSA-N -1 3 249.310 2.194 20 0 BEADHM Cc1ccc(NC(=O)CC2CC2)c([O-])c1 ZINC000047850387 344582009 /nfs/dbraw/zinc/58/20/09/344582009.db2.gz OMGPSSNGDQYTLM-UHFFFAOYSA-N -1 3 205.257 2.439 20 0 BEADHM CC1(C)CC[C@@H](SCCc2nnn[n-]2)C1 ZINC000603341930 349918850 /nfs/dbraw/zinc/91/88/50/349918850.db2.gz UAWHMEBAJSUXBG-MRVPVSSYSA-N -1 3 226.349 2.054 20 0 BEADHM CC1(C)CC[C@@H](SCCc2nn[n-]n2)C1 ZINC000603341930 349918854 /nfs/dbraw/zinc/91/88/54/349918854.db2.gz UAWHMEBAJSUXBG-MRVPVSSYSA-N -1 3 226.349 2.054 20 0 BEADHM C[C@@H]1CCCC[C@@H]1SCCc1nnn[n-]1 ZINC000603341478 349919129 /nfs/dbraw/zinc/91/91/29/349919129.db2.gz DJJGCUCLDWUYPZ-BDAKNGLRSA-N -1 3 226.349 2.054 20 0 BEADHM C[C@@H]1CCCC[C@@H]1SCCc1nn[n-]n1 ZINC000603341478 349919134 /nfs/dbraw/zinc/91/91/34/349919134.db2.gz DJJGCUCLDWUYPZ-BDAKNGLRSA-N -1 3 226.349 2.054 20 0 BEADHM Cc1ccc(NC(=O)[C@H]2CO[C@@H](C)C2)c([O-])c1 ZINC000132767717 178748692 /nfs/dbraw/zinc/74/86/92/178748692.db2.gz HGMKGFZWUYLIFF-VHSXEESVSA-N -1 3 235.283 2.064 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@@H]2C)c1 ZINC000294206385 178784952 /nfs/dbraw/zinc/78/49/52/178784952.db2.gz QSXFQUZECUQJGD-ZJUUUORDSA-N -1 3 219.284 2.181 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2C)c1 ZINC000037912261 178786319 /nfs/dbraw/zinc/78/63/19/178786319.db2.gz WHSWIXHDDFTPPC-JTQLQIEISA-N -1 3 219.284 2.325 20 0 BEADHM Cc1ccc([O-])c(CN[C@H](C)C(F)(F)F)n1 ZINC000288572997 178797502 /nfs/dbraw/zinc/79/75/02/178797502.db2.gz ZVVJTIDWSRESMD-SSDOTTSWSA-N -1 3 234.221 2.136 20 0 BEADHM CC1(C)CN(C(=O)c2cccc([O-])c2)CCCO1 ZINC000360996732 345114085 /nfs/dbraw/zinc/11/40/85/345114085.db2.gz DPAMGWHDKQSCTG-UHFFFAOYSA-N -1 3 249.310 2.033 20 0 BEADHM C(=C\c1ccccc1)\CSCCc1nnn[n-]1 ZINC000603336512 349927065 /nfs/dbraw/zinc/92/70/65/349927065.db2.gz DDCUTGVXOOSBDB-DAXSKMNVSA-N -1 3 246.339 2.189 20 0 BEADHM C(=C\c1ccccc1)\CSCCc1nn[n-]n1 ZINC000603336512 349927067 /nfs/dbraw/zinc/92/70/67/349927067.db2.gz DDCUTGVXOOSBDB-DAXSKMNVSA-N -1 3 246.339 2.189 20 0 BEADHM CCO[N-]C(=O)C/C=C/c1ccc(F)cc1 ZINC000081127909 345463408 /nfs/dbraw/zinc/46/34/08/345463408.db2.gz ANJYCTYDAZORDW-ONEGZZNKSA-N -1 3 223.247 2.297 20 0 BEADHM CCc1cccc(C(=O)N(C)CC)c1[O-] ZINC000081731739 345486399 /nfs/dbraw/zinc/48/63/99/345486399.db2.gz DNRPPGIIGSICGR-UHFFFAOYSA-N -1 3 207.273 2.047 20 0 BEADHM CCN(Cc1ccoc1C(=O)[O-])CC1CC1 ZINC000068947409 349931518 /nfs/dbraw/zinc/93/15/18/349931518.db2.gz MBANIGUKYQYUMM-UHFFFAOYSA-N -1 3 223.272 2.210 20 0 BEADHM Cc1ccc([O-])c(C(=O)Nc2ccc(=O)[nH]c2)c1 ZINC000149537786 345716346 /nfs/dbraw/zinc/71/63/46/345716346.db2.gz QWCRJAZOKANUFZ-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM COc1ccc(NC(=O)[C@H]2C[C@@H]2C2CC2)c([O-])c1 ZINC000135428808 345771455 /nfs/dbraw/zinc/77/14/55/345771455.db2.gz IJKZWIGTRZRGSK-MNOVXSKESA-N -1 3 247.294 2.385 20 0 BEADHM O=C(Nc1ccc([O-])cc1Cl)C1CC1 ZINC000082879777 345790262 /nfs/dbraw/zinc/79/02/62/345790262.db2.gz WDOSBQKLQNVWBD-UHFFFAOYSA-N -1 3 211.648 2.394 20 0 BEADHM Cc1[nH]ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000176184054 345901458 /nfs/dbraw/zinc/90/14/58/345901458.db2.gz MGWUEZXUUNZPOU-UHFFFAOYSA-N -1 3 234.230 2.420 20 0 BEADHM CC(C)Cc1nc(=NCC2CC23CC3)s[n-]1 ZINC000418972422 192093014 /nfs/dbraw/zinc/09/30/14/192093014.db2.gz BZQZIHBBCMLTPU-VIFPVBQESA-N -1 3 237.372 2.371 20 0 BEADHM CC(C)(NC(=O)c1ccccc1[O-])C(F)F ZINC000684343414 488296556 /nfs/dbraw/zinc/29/65/56/488296556.db2.gz IELFTEXFXCNMKT-UHFFFAOYSA-N -1 3 229.226 2.166 20 0 BEADHM Cc1cccc(C(=O)N2CC[C@@](C)(F)C2)c1[O-] ZINC000336526388 179010858 /nfs/dbraw/zinc/01/08/58/179010858.db2.gz VEAFIHUHOLHTGT-CYBMUJFWSA-N -1 3 237.274 2.275 20 0 BEADHM CCC[C@H](CC)NC(=O)c1cccc2nn[n-]c21 ZINC000187591202 346588027 /nfs/dbraw/zinc/58/80/27/346588027.db2.gz SSDLVHXWLPRAET-VIFPVBQESA-N -1 3 246.314 2.266 20 0 BEADHM CCC[C@H](CC)NC(=O)c1cccc2[n-]nnc21 ZINC000187591202 346588031 /nfs/dbraw/zinc/58/80/31/346588031.db2.gz SSDLVHXWLPRAET-VIFPVBQESA-N -1 3 246.314 2.266 20 0 BEADHM CCC[C@H](CC)NC(=O)c1cccc2n[n-]nc21 ZINC000187591202 346588033 /nfs/dbraw/zinc/58/80/33/346588033.db2.gz SSDLVHXWLPRAET-VIFPVBQESA-N -1 3 246.314 2.266 20 0 BEADHM O=C([O-])C1(NCc2ccccc2Cl)CC1 ZINC000203655678 346646115 /nfs/dbraw/zinc/64/61/15/346646115.db2.gz RLGIPTXFZYWMTB-UHFFFAOYSA-N -1 3 225.675 2.047 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000337519074 179160216 /nfs/dbraw/zinc/16/02/16/179160216.db2.gz WUELHZOQQWTAIM-OPQQBVKSSA-N -1 3 249.310 2.453 20 0 BEADHM O=C([N-]c1cnoc1)c1cc(F)c(F)c(F)c1 ZINC000063011903 346793425 /nfs/dbraw/zinc/79/34/25/346793425.db2.gz PVSNKDOGQXBOSZ-UHFFFAOYSA-N -1 3 242.156 2.344 20 0 BEADHM C[C@H]1C[C@H](C)CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000192888634 365873473 /nfs/dbraw/zinc/87/34/73/365873473.db2.gz NPJDYISOPKIHHV-UWVGGRQHSA-N -1 3 249.310 2.216 20 0 BEADHM COc1ccc(C(=O)N[C@H]2CCC2(C)C)c([O-])c1 ZINC000380806514 347333831 /nfs/dbraw/zinc/33/38/31/347333831.db2.gz QIBGUPSXNVIBCZ-LBPRGKRZSA-N -1 3 249.310 2.319 20 0 BEADHM C[C@H](CC(=O)Nc1ncccc1[O-])n1cccc1 ZINC000591092653 347618166 /nfs/dbraw/zinc/61/81/66/347618166.db2.gz PSQMDGSYVRYSIK-SNVBAGLBSA-N -1 3 245.282 2.179 20 0 BEADHM O=C([O-])c1cnccc1NCC1CCCC1 ZINC000088109729 362903884 /nfs/dbraw/zinc/90/38/84/362903884.db2.gz LDQJRVPVXDJURD-UHFFFAOYSA-N -1 3 220.272 2.382 20 0 BEADHM CCc1cc(=O)[n-]c(CN2C[C@H](C)[C@@H](C)[C@@H]2C)n1 ZINC000419375986 192129259 /nfs/dbraw/zinc/12/92/59/192129259.db2.gz SJMPVJYCBJYQSG-AXFHLTTASA-N -1 3 249.358 2.221 20 0 BEADHM CCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419378609 192132848 /nfs/dbraw/zinc/13/28/48/192132848.db2.gz DHKANAABOULOJC-UHFFFAOYSA-N -1 3 210.302 2.313 20 0 BEADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000333785593 538028987 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CC(C)Cc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000350490401 366284550 /nfs/dbraw/zinc/28/45/50/366284550.db2.gz UZVSGPRJQJCYTN-UHFFFAOYSA-N -1 3 243.270 2.206 20 0 BEADHM Cc1ocnc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000350579733 366302782 /nfs/dbraw/zinc/30/27/82/366302782.db2.gz XTYOSDIVKOALBZ-UHFFFAOYSA-N -1 3 243.222 2.406 20 0 BEADHM CC[C@H](O)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000450294229 202122082 /nfs/dbraw/zinc/12/20/82/202122082.db2.gz MCXQKZBEQPNSNV-QMMMGPOBSA-N -1 3 243.690 2.145 20 0 BEADHM CC(=O)c1[n-]c(=NCc2ccoc2)sc1C ZINC000450276833 202115962 /nfs/dbraw/zinc/11/59/62/202115962.db2.gz NZIAZOMINUBDEI-UHFFFAOYSA-N -1 3 236.296 2.281 20 0 BEADHM CC(C)[C@@H](NC(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000323940377 356665661 /nfs/dbraw/zinc/66/56/61/356665661.db2.gz JOPYADYTMRYQLH-CYBMUJFWSA-N -1 3 249.310 2.262 20 0 BEADHM CC[C@H](NC(=O)c1cccc([O-])c1)C1CC1 ZINC000324114518 356742695 /nfs/dbraw/zinc/74/26/95/356742695.db2.gz ONTMNVDHAMLRHH-LBPRGKRZSA-N -1 3 219.284 2.311 20 0 BEADHM CC[C@@H](NC(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000324218236 356790417 /nfs/dbraw/zinc/79/04/17/356790417.db2.gz VVFVKMGZGQNLOU-LLVKDONJSA-N -1 3 235.283 2.016 20 0 BEADHM CC(=O)c1[n-]c(=N[C@H]2CC[C@H]2C)sc1C ZINC000450535872 202193298 /nfs/dbraw/zinc/19/32/98/202193298.db2.gz QHIRFXIZUHIDAW-MUWHJKNJSA-N -1 3 224.329 2.286 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCc2cccnc2)c1 ZINC000020556427 357013643 /nfs/dbraw/zinc/01/36/43/357013643.db2.gz VIGIMHOKBCRBOF-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM Cc1cccc(CN(C[C@H](C)C(=O)[O-])C2CC2)n1 ZINC000582732252 357375294 /nfs/dbraw/zinc/37/52/94/357375294.db2.gz UITLGKNWHRRNAC-JTQLQIEISA-N -1 3 248.326 2.075 20 0 BEADHM CCCCN(C)Cc1ccc(C(=O)[O-])o1 ZINC000011799258 357454016 /nfs/dbraw/zinc/45/40/16/357454016.db2.gz AEVYYROIGYLQJJ-UHFFFAOYSA-N -1 3 211.261 2.210 20 0 BEADHM Cc1cc(C(=O)N2C3CCC2CC3)ccc1[O-] ZINC000398960099 357891557 /nfs/dbraw/zinc/89/15/57/357891557.db2.gz RRGMSGWRCSAMHH-UHFFFAOYSA-N -1 3 231.295 2.468 20 0 BEADHM CC[C@@]1(C)CCN(c2ccncc2C(=O)[O-])C1 ZINC000399419680 357906505 /nfs/dbraw/zinc/90/65/05/357906505.db2.gz JHFKBYXCCFNFKU-ZDUSSCGKSA-N -1 3 234.299 2.406 20 0 BEADHM C[C@H](c1nc(-c2cc(=O)[n-]cn2)no1)C1CCC1 ZINC000351380132 358184744 /nfs/dbraw/zinc/18/47/44/358184744.db2.gz XFZDEGIAKZMHSB-ZETCQYMHSA-N -1 3 246.270 2.136 20 0 BEADHM O=c1cc(-c2noc(C(F)=C3CCC3)n2)nc[n-]1 ZINC000351380123 358184942 /nfs/dbraw/zinc/18/49/42/358184942.db2.gz XEJGGJREAAGSJF-UHFFFAOYSA-N -1 3 248.217 2.097 20 0 BEADHM CC(C)=CCC[C@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000450674121 202233170 /nfs/dbraw/zinc/23/31/70/202233170.db2.gz MMZASHDLVSZIHL-JTQLQIEISA-N -1 3 245.330 2.273 20 0 BEADHM Cc1occc1CN(C)CCCCC(=O)[O-] ZINC000042449612 358349124 /nfs/dbraw/zinc/34/91/24/358349124.db2.gz FNBQAZRFNMAWHB-UHFFFAOYSA-N -1 3 225.288 2.275 20 0 BEADHM CC[C@@H]1CCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000043334153 358536403 /nfs/dbraw/zinc/53/64/03/358536403.db2.gz LTZLVHQZJBJQOB-SNVBAGLBSA-N -1 3 249.310 2.415 20 0 BEADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1C[C@H]1C1CC1 ZINC000176165073 134289370 /nfs/dbraw/zinc/28/93/70/134289370.db2.gz XZUZNVAZWNKJPL-QWRGUYRKSA-N -1 3 249.285 2.194 20 0 BEADHM O=C([O-])CC[C@@H]1CCCCN1Cc1cccnc1 ZINC000050924749 358739685 /nfs/dbraw/zinc/73/96/85/358739685.db2.gz WULRCKHBADMVMA-ZDUSSCGKSA-N -1 3 248.326 2.301 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@H]2CC[C@H](C)C2)c1 ZINC000132930719 358740342 /nfs/dbraw/zinc/74/03/42/358740342.db2.gz NHBLYGHMIMULRV-UWVGGRQHSA-N -1 3 249.310 2.319 20 0 BEADHM CCCNC(=O)Cc1ccc([O-])cc1Cl ZINC000136055135 358861643 /nfs/dbraw/zinc/86/16/43/358861643.db2.gz MEZFHJDHVSGDOM-UHFFFAOYSA-N -1 3 227.691 2.114 20 0 BEADHM O=C([O-])CCCN1CCS[C@H]2CCCC[C@@H]21 ZINC000176928899 134294847 /nfs/dbraw/zinc/29/48/47/134294847.db2.gz ACVBEAAVLBVIQX-QWRGUYRKSA-N -1 3 243.372 2.211 20 0 BEADHM CCCN(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000136228074 358869107 /nfs/dbraw/zinc/86/91/07/358869107.db2.gz PGRDQVHRXXLHIP-UHFFFAOYSA-N -1 3 241.718 2.457 20 0 BEADHM CC[C@]1(C)C[C@@H]1c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351375279 366520315 /nfs/dbraw/zinc/52/03/15/366520315.db2.gz RYDOFMJFTAYGFN-JMCQJSRRSA-N -1 3 246.270 2.136 20 0 BEADHM C[C@H](c1nc(-c2cc(=O)[n-]cn2)no1)C(C)(C)C ZINC000351376249 366520420 /nfs/dbraw/zinc/52/04/20/366520420.db2.gz SULVUQOAYYVUBQ-SSDOTTSWSA-N -1 3 248.286 2.382 20 0 BEADHM Cc1ccc(C(=O)N(C)c2cccnc2)c([O-])c1 ZINC000070231257 359045255 /nfs/dbraw/zinc/04/52/55/359045255.db2.gz VHESLMNOELRXKN-UHFFFAOYSA-N -1 3 242.278 2.372 20 0 BEADHM C[C@@H]1CCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000070835346 359064117 /nfs/dbraw/zinc/06/41/17/359064117.db2.gz QNYNNIGWYBKMIJ-BXKDBHETSA-N -1 3 219.284 2.311 20 0 BEADHM COc1ccc(NC(=O)CCCF)c([O-])c1 ZINC000613832674 363656898 /nfs/dbraw/zinc/65/68/98/363656898.db2.gz GZVNWBWJVKXRNJ-UHFFFAOYSA-N -1 3 227.235 2.089 20 0 BEADHM C[C@@]1(C(=O)Nc2ncccc2[O-])CC=CCC1 ZINC000450800790 202270311 /nfs/dbraw/zinc/27/03/11/202270311.db2.gz RCYHJSKCELXNEN-CYBMUJFWSA-N -1 3 232.283 2.472 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@H](C)CC(C)=O)c1 ZINC000093098124 360218449 /nfs/dbraw/zinc/21/84/49/360218449.db2.gz OABSXOMMYRWQEB-SECBINFHSA-N -1 3 249.310 2.052 20 0 BEADHM O=C(Nc1ccncc1[O-])C1CCC2(CC2)CC1 ZINC000613087116 360348689 /nfs/dbraw/zinc/34/86/89/360348689.db2.gz UJLIECDUIZDULT-UHFFFAOYSA-N -1 3 246.310 2.118 20 0 BEADHM NC(=O)c1cccc(-c2ccc(F)c([O-])c2)c1 ZINC000065340859 181302390 /nfs/dbraw/zinc/30/23/90/181302390.db2.gz BXTWGEURYPSUGC-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM NC(=O)c1cccc(-c2cc([O-])cc(F)c2)c1 ZINC000065340861 181302564 /nfs/dbraw/zinc/30/25/64/181302564.db2.gz FPKGZNYMPPQDBO-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM COc1cc(C(=O)N(C2CC2)C2CC2)ccc1[O-] ZINC000628814555 360678813 /nfs/dbraw/zinc/67/88/13/360678813.db2.gz INWHFFMAAAHRGS-UHFFFAOYSA-N -1 3 247.294 2.168 20 0 BEADHM COc1ccc([O-])c(C(=O)N(C2CC2)C2CC2)c1 ZINC000628819544 360673997 /nfs/dbraw/zinc/67/39/97/360673997.db2.gz COHUSGGBQHQKEF-UHFFFAOYSA-N -1 3 247.294 2.168 20 0 BEADHM CC1(C)CC[C@@H]1NC(=O)c1c([O-])cccc1O ZINC000288053728 360753103 /nfs/dbraw/zinc/75/31/03/360753103.db2.gz FGPVTOZTPUZLKQ-JTQLQIEISA-N -1 3 235.283 2.016 20 0 BEADHM C/C=C\CNC(=O)c1ccc(CC)cc1[O-] ZINC000629033680 360817608 /nfs/dbraw/zinc/81/76/08/360817608.db2.gz DEIFVZXCTOAYSO-HYXAFXHYSA-N -1 3 219.284 2.261 20 0 BEADHM C[C@@H]1C[C@H]1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000629360968 361009496 /nfs/dbraw/zinc/00/94/96/361009496.db2.gz ZJLTYYKTNKPVQA-OSMZGAPFSA-N -1 3 245.322 2.326 20 0 BEADHM C[C@@H]1C[C@H]1COc1ccc2c([O-])coc2c1 ZINC000629375078 361025831 /nfs/dbraw/zinc/02/58/31/361025831.db2.gz BMDAUSBXUMKVJG-BDAKNGLRSA-N -1 3 218.252 2.297 20 0 BEADHM Cc1nocc1[N-]C(=O)c1occ2c1CCC2 ZINC000640485052 361276634 /nfs/dbraw/zinc/27/66/34/361276634.db2.gz DMGMLJKFJBREHQ-UHFFFAOYSA-N -1 3 232.239 2.317 20 0 BEADHM CCc1ncsc1C(=O)[N-]c1conc1C ZINC000640482976 361257508 /nfs/dbraw/zinc/25/75/08/361257508.db2.gz HHUBPWCWSASPFR-UHFFFAOYSA-N -1 3 237.284 2.254 20 0 BEADHM O=c1[n-]n(C2CCCC2)c(=O)c2ccccc12 ZINC000614185538 363747519 /nfs/dbraw/zinc/74/75/19/363747519.db2.gz OECYIACCNRBBJJ-UHFFFAOYSA-N -1 3 230.267 2.217 20 0 BEADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000082879309 491157218 /nfs/dbraw/zinc/15/72/18/491157218.db2.gz KGEKQXBDDUKNLV-SVRRBLITSA-N -1 3 209.220 2.126 20 0 BEADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000082879311 491157240 /nfs/dbraw/zinc/15/72/40/491157240.db2.gz KGEKQXBDDUKNLV-XPUUQOCRSA-N -1 3 209.220 2.126 20 0 BEADHM CC(C)(NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000163172474 361389789 /nfs/dbraw/zinc/38/97/89/361389789.db2.gz FGDCOSSQGIJVRO-UHFFFAOYSA-N -1 3 245.681 2.432 20 0 BEADHM CCc1cc(=O)[n-]c(CN(C)[C@@H]2CC[C@@H](C)C2)n1 ZINC000429578530 201118059 /nfs/dbraw/zinc/11/80/59/201118059.db2.gz TVDUTFRVPIOONZ-ZYHUDNBSSA-N -1 3 249.358 2.365 20 0 BEADHM CC1(CC(=O)Nc2nnc(-c3ccco3)[n-]2)CC1 ZINC000430049855 201139641 /nfs/dbraw/zinc/13/96/41/201139641.db2.gz AQPRNTRSUJKXBQ-UHFFFAOYSA-N -1 3 246.270 2.193 20 0 BEADHM CC1(CC(=O)Nc2nc(-c3ccco3)n[n-]2)CC1 ZINC000430049855 201139643 /nfs/dbraw/zinc/13/96/43/201139643.db2.gz AQPRNTRSUJKXBQ-UHFFFAOYSA-N -1 3 246.270 2.193 20 0 BEADHM CC1(CC(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000430049855 201139646 /nfs/dbraw/zinc/13/96/46/201139646.db2.gz AQPRNTRSUJKXBQ-UHFFFAOYSA-N -1 3 246.270 2.193 20 0 BEADHM CC(C)CCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000448561359 201275468 /nfs/dbraw/zinc/27/54/68/201275468.db2.gz FZFCPJZRZVXBPA-UHFFFAOYSA-N -1 3 239.290 2.236 20 0 BEADHM CCN(C(=O)c1cc(OC)ccc1[O-])C1CCC1 ZINC000436540425 201332356 /nfs/dbraw/zinc/33/23/56/201332356.db2.gz ZAAWXFZQWRRIEP-UHFFFAOYSA-N -1 3 249.310 2.415 20 0 BEADHM CCc1ccc(C(=O)N[C@H]2CC[C@@H]2C)c([O-])c1 ZINC000436711283 201334561 /nfs/dbraw/zinc/33/45/61/201334561.db2.gz GHODYCRKMKRFPJ-CABZTGNLSA-N -1 3 233.311 2.483 20 0 BEADHM Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]2F)c1[O-] ZINC000436775779 201335574 /nfs/dbraw/zinc/33/55/74/201335574.db2.gz RLPXQRQTVBLRDP-WDEREUQCSA-N -1 3 237.274 2.321 20 0 BEADHM CCc1ccc(C(=O)N[C@@H]2CC2(C)C)c([O-])c1 ZINC000436804901 201335581 /nfs/dbraw/zinc/33/55/81/201335581.db2.gz BUELBVIECDNNFS-GFCCVEGCSA-N -1 3 233.311 2.483 20 0 BEADHM CN(CC[C@@H]1CCCO1)C(=O)c1ccccc1[O-] ZINC000436748190 201336664 /nfs/dbraw/zinc/33/66/64/201336664.db2.gz RINORUANDKOSOY-NSHDSACASA-N -1 3 249.310 2.033 20 0 BEADHM CC[C@@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436845104 201338182 /nfs/dbraw/zinc/33/81/82/201338182.db2.gz CGOHXMUWQMXDPD-MRVPVSSYSA-N -1 3 235.283 2.123 20 0 BEADHM C[C@@H]1C[C@H]1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436965182 201341074 /nfs/dbraw/zinc/34/10/74/201341074.db2.gz SMWIUZZONIYGOO-NOZJJQNGSA-N -1 3 245.322 2.409 20 0 BEADHM CC(=O)C[C@@H](C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436599514 201332592 /nfs/dbraw/zinc/33/25/92/201332592.db2.gz CYKSMLIEURNGOW-SECBINFHSA-N -1 3 249.310 2.106 20 0 BEADHM Cc1ccc(NC(=O)C2CSC2)c([O-])c1 ZINC000630439399 364167700 /nfs/dbraw/zinc/16/77/00/364167700.db2.gz SEZREEDJNGLIEE-UHFFFAOYSA-N -1 3 223.297 2.002 20 0 BEADHM CC(C)C(C)(C)NC(=O)c1cc(F)c[n-]c1=O ZINC000622126649 370725180 /nfs/dbraw/zinc/72/51/80/370725180.db2.gz ZTUNGFZSKDGSAP-UHFFFAOYSA-N -1 3 240.278 2.091 20 0 BEADHM CC[C@@](C)(NC(=O)c1csc(=O)[n-]1)C1CC1 ZINC000618962872 364424971 /nfs/dbraw/zinc/42/49/71/364424971.db2.gz YFMWKIZUHKBERD-LLVKDONJSA-N -1 3 240.328 2.157 20 0 BEADHM CSCCN(C)Cc1ccccc1C(=O)[O-] ZINC000167576940 364796470 /nfs/dbraw/zinc/79/64/70/364796470.db2.gz OTTIXCJQNJSJAN-UHFFFAOYSA-N -1 3 239.340 2.180 20 0 BEADHM CSCCN(C)Cc1cc(C(=O)[O-])oc1C ZINC000167577207 364797247 /nfs/dbraw/zinc/79/72/47/364797247.db2.gz HKNLHJPMVSDQKC-UHFFFAOYSA-N -1 3 243.328 2.081 20 0 BEADHM CC[C@@H](O)CCNCc1cccc([O-])c1Cl ZINC000293699142 364767498 /nfs/dbraw/zinc/76/74/98/364767498.db2.gz WZONQOJKXZSUMI-SNVBAGLBSA-N -1 3 243.734 2.296 20 0 BEADHM Cc1cccc(C(=O)NCC2CC(C)C2)c1[O-] ZINC000622242274 370793298 /nfs/dbraw/zinc/79/32/98/370793298.db2.gz ODPOXLDFKLILQM-UHFFFAOYSA-N -1 3 233.311 2.477 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1C ZINC000336570458 365339967 /nfs/dbraw/zinc/33/99/67/365339967.db2.gz CUPRBTSKNGUKTB-IAZYJMLFSA-N -1 3 247.342 2.077 20 0 BEADHM Cc1csc(N(C)C(=O)c2cccc([O-])c2)n1 ZINC000182413136 366899561 /nfs/dbraw/zinc/89/95/61/366899561.db2.gz BJCCVZWRQUDWGE-UHFFFAOYSA-N -1 3 248.307 2.434 20 0 BEADHM [O-]c1coc2cc(OC[C@@H]3CCCCO3)ccc12 ZINC000057524245 1172335436 /nfs/dbraw/zinc/33/54/36/1172335436.db2.gz DYHCXZYMSLWDBB-NSHDSACASA-N -1 3 248.278 2.210 20 0 BEADHM CN(Cc1nccs1)C(=O)c1cccc([O-])c1 ZINC000182544005 366915443 /nfs/dbraw/zinc/91/54/43/366915443.db2.gz DKUZBSJEMDNYEQ-UHFFFAOYSA-N -1 3 248.307 2.121 20 0 BEADHM O=C(N[C@H]1C=CCCC1)c1cccc([O-])c1 ZINC000182597820 366920410 /nfs/dbraw/zinc/92/04/10/366920410.db2.gz WPAUSPCANOKQTJ-NSHDSACASA-N -1 3 217.268 2.231 20 0 BEADHM CCCCN(CC)C(=O)c1cccc2[n-]nnc21 ZINC000182685509 366932523 /nfs/dbraw/zinc/93/25/23/366932523.db2.gz OKBFYSVPONRBPT-UHFFFAOYSA-N -1 3 246.314 2.220 20 0 BEADHM CCCCN(CC)C(=O)c1cccc2nn[n-]c21 ZINC000182685509 366932529 /nfs/dbraw/zinc/93/25/29/366932529.db2.gz OKBFYSVPONRBPT-UHFFFAOYSA-N -1 3 246.314 2.220 20 0 BEADHM CCCCN(CC)C(=O)c1cccc2n[n-]nc21 ZINC000182685509 366932532 /nfs/dbraw/zinc/93/25/32/366932532.db2.gz OKBFYSVPONRBPT-UHFFFAOYSA-N -1 3 246.314 2.220 20 0 BEADHM Cc1cccc([O-])c1NC(=O)c1ccc(F)cn1 ZINC000183877125 367054640 /nfs/dbraw/zinc/05/46/40/367054640.db2.gz SEPCXGMZHDRUBM-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM CO[C@@H](C)CCC(=O)Nc1cccc([O-])c1F ZINC000184146200 367065696 /nfs/dbraw/zinc/06/56/96/367065696.db2.gz HTQIVBNHODHQDC-QMMMGPOBSA-N -1 3 241.262 2.285 20 0 BEADHM CC[C@H](C)CN(C)C(=O)c1cccc2[n-]nnc21 ZINC000183599109 367032598 /nfs/dbraw/zinc/03/25/98/367032598.db2.gz IWNMVXNIXBYCHB-VIFPVBQESA-N -1 3 246.314 2.076 20 0 BEADHM CC[C@H](C)CN(C)C(=O)c1cccc2nn[n-]c21 ZINC000183599109 367032603 /nfs/dbraw/zinc/03/26/03/367032603.db2.gz IWNMVXNIXBYCHB-VIFPVBQESA-N -1 3 246.314 2.076 20 0 BEADHM CC[C@H](C)CN(C)C(=O)c1cccc2n[n-]nc21 ZINC000183599109 367032610 /nfs/dbraw/zinc/03/26/10/367032610.db2.gz IWNMVXNIXBYCHB-VIFPVBQESA-N -1 3 246.314 2.076 20 0 BEADHM Cc1ccc(C(=O)Nc2ccc(=O)[nH]c2)c([O-])c1 ZINC000386033871 367900439 /nfs/dbraw/zinc/90/04/39/367900439.db2.gz YRUVPHCBFMPPQD-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM O=C(CC[C@@H]1CCCO1)Nc1ccccc1[O-] ZINC000047430837 368462436 /nfs/dbraw/zinc/46/24/36/368462436.db2.gz SOYNEPOKADISKI-JTQLQIEISA-N -1 3 235.283 2.290 20 0 BEADHM CCC(CC)Nc1ccncc1C(=O)[O-] ZINC000088109636 368904165 /nfs/dbraw/zinc/90/41/65/368904165.db2.gz FSGWBZVPIWRMDO-UHFFFAOYSA-N -1 3 208.261 2.380 20 0 BEADHM CC(C)CCNc1ccncc1C(=O)[O-] ZINC000088109664 368904571 /nfs/dbraw/zinc/90/45/71/368904571.db2.gz MANCQZYUEDOZCT-UHFFFAOYSA-N -1 3 208.261 2.238 20 0 BEADHM CC1(C)CCN(c2ccncc2C(=O)[O-])C1 ZINC000088109970 368904813 /nfs/dbraw/zinc/90/48/13/368904813.db2.gz BIJYRZFVMHIGCW-UHFFFAOYSA-N -1 3 220.272 2.016 20 0 BEADHM CN(Cc1ccccc1F)[C@H](C(=O)[O-])C1CC1 ZINC000088795813 368929106 /nfs/dbraw/zinc/92/91/06/368929106.db2.gz XIYCEUYZPKHIJJ-LBPRGKRZSA-N -1 3 237.274 2.121 20 0 BEADHM CC[C@H](CC(F)F)C(=O)Nc1ncccc1[O-] ZINC000457722269 203095098 /nfs/dbraw/zinc/09/50/98/203095098.db2.gz XGOYNUJXWFYUEA-SSDOTTSWSA-N -1 3 244.241 2.407 20 0 BEADHM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cccc([O-])c1 ZINC000458284989 203153745 /nfs/dbraw/zinc/15/37/45/203153745.db2.gz RVEDFGTZVUQGCH-ICCXJUOJSA-N -1 3 231.295 2.311 20 0 BEADHM CC1(C)C[C@@]1(C)NC(=O)c1ccccc1[O-] ZINC000620081708 369719590 /nfs/dbraw/zinc/71/95/90/369719590.db2.gz JQDVTXAFBJGECK-CYBMUJFWSA-N -1 3 219.284 2.311 20 0 BEADHM CC(C)CC1(NC(=O)Cc2cncc([O-])c2)CC1 ZINC000620287057 369804597 /nfs/dbraw/zinc/80/45/97/369804597.db2.gz XXMRXHVWQALCMJ-UHFFFAOYSA-N -1 3 248.326 2.025 20 0 BEADHM CC12CC(C1)CN2C(=O)Cc1ccc([O-])c(F)c1 ZINC000621217657 370164426 /nfs/dbraw/zinc/16/44/26/370164426.db2.gz BXLKZFSSBISNGG-UHFFFAOYSA-N -1 3 249.285 2.085 20 0 BEADHM CN(CCC1CC1)Cc1ccc(C(=O)[O-])cn1 ZINC000310522328 370350339 /nfs/dbraw/zinc/35/03/39/370350339.db2.gz XAOALNVWUBLNFV-UHFFFAOYSA-N -1 3 234.299 2.012 20 0 BEADHM CC[C@H](C(=O)[O-])N(C)Cc1cncc(Cl)c1 ZINC000621773842 370518297 /nfs/dbraw/zinc/51/82/97/370518297.db2.gz DCVRBAYQOKMMPL-SNVBAGLBSA-N -1 3 242.706 2.030 20 0 BEADHM CCN(Cc1cncc(Cl)c1)[C@@H](C)C(=O)[O-] ZINC000621773707 370518680 /nfs/dbraw/zinc/51/86/80/370518680.db2.gz ACDBKBWITAHZKH-QMMMGPOBSA-N -1 3 242.706 2.030 20 0 BEADHM O=C([N-]c1cnoc1)c1cc(F)cc(F)c1 ZINC000623943464 371171774 /nfs/dbraw/zinc/17/17/74/371171774.db2.gz VZJBZPFERQISFV-UHFFFAOYSA-N -1 3 224.166 2.205 20 0 BEADHM CCS(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC000230060757 371646851 /nfs/dbraw/zinc/64/68/51/371646851.db2.gz SNIAXCFSXFATMA-UHFFFAOYSA-N -1 3 237.683 2.241 20 0 BEADHM Cc1ccoc1CN1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000304359598 371783732 /nfs/dbraw/zinc/78/37/32/371783732.db2.gz HVIAGZIGJPHYFA-WDEREUQCSA-N -1 3 237.299 2.131 20 0 BEADHM Cc1ccc(C(=O)NC[C@H](C)C2CC2)c([O-])c1 ZINC000132751723 371914254 /nfs/dbraw/zinc/91/42/54/371914254.db2.gz PFBSSKDRWMPLSK-JTQLQIEISA-N -1 3 233.311 2.477 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC[C@H](C)C2CC2)c1 ZINC000132754715 371916663 /nfs/dbraw/zinc/91/66/63/371916663.db2.gz YVBRZUYJEMEXDV-JTQLQIEISA-N -1 3 233.311 2.477 20 0 BEADHM Cc1cccc([O-])c1NC(=O)C1CSC1 ZINC000632265358 372845002 /nfs/dbraw/zinc/84/50/02/372845002.db2.gz UMBZRNXEPHQJEW-UHFFFAOYSA-N -1 3 223.297 2.002 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H]2C(F)F)c1 ZINC000633231455 373377365 /nfs/dbraw/zinc/37/73/65/373377365.db2.gz SHLGNESHTXGVNR-SECBINFHSA-N -1 3 241.237 2.180 20 0 BEADHM O=C(NC1CCC1)c1c[n-]c2ccccc2c1=O ZINC000264549757 182107781 /nfs/dbraw/zinc/10/77/81/182107781.db2.gz RQZZBFFDUNELRJ-UHFFFAOYSA-N -1 3 242.278 2.223 20 0 BEADHM Cc1ccn(C)c1C(=O)Nc1cccc([O-])c1F ZINC000190350301 259564455 /nfs/dbraw/zinc/56/44/55/259564455.db2.gz POYHRNXWAHCDBX-UHFFFAOYSA-N -1 3 248.257 2.431 20 0 BEADHM O=C(NCC1CCCC1)c1cccc([O-])c1 ZINC000037259032 182145890 /nfs/dbraw/zinc/14/58/90/182145890.db2.gz NDXYWVAIZRAFOS-UHFFFAOYSA-N -1 3 219.284 2.312 20 0 BEADHM Cc1ccc(C(=O)NCC(C)(C)F)c([O-])c1 ZINC000633719825 373705583 /nfs/dbraw/zinc/70/55/83/373705583.db2.gz JSCDXNBVADJQGM-UHFFFAOYSA-N -1 3 225.263 2.179 20 0 BEADHM O=C(N[C@@]12C[C@@H]1CCCC2)c1ccc(O)cc1[O-] ZINC000634097004 373963804 /nfs/dbraw/zinc/96/38/04/373963804.db2.gz VCTSSMVGJLZXDZ-XPTSAGLGSA-N -1 3 247.294 2.160 20 0 BEADHM O=C(NC[C@@H]1CC=CCC1)c1c([O-])cccc1O ZINC000125736570 182223377 /nfs/dbraw/zinc/22/33/77/182223377.db2.gz UHYKPBMLMZUPFK-SNVBAGLBSA-N -1 3 247.294 2.184 20 0 BEADHM O=C(NCc1cccs1)c1cccc([O-])c1 ZINC000037466956 182264012 /nfs/dbraw/zinc/26/40/12/182264012.db2.gz MGGUDEWMQKINCJ-UHFFFAOYSA-N -1 3 233.292 2.384 20 0 BEADHM O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1[O-] ZINC000634502252 374276968 /nfs/dbraw/zinc/27/69/68/374276968.db2.gz DCXYXSBWIJKLCD-HTQZYQBOSA-N -1 3 245.200 2.073 20 0 BEADHM O=C([N-]O[C@H]1CCCCO1)C1=CCCCC1 ZINC000275650218 182285096 /nfs/dbraw/zinc/28/50/96/182285096.db2.gz CMJDKGCIQXVRRZ-NSHDSACASA-N -1 3 225.288 2.061 20 0 BEADHM CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000194296871 206088673 /nfs/dbraw/zinc/08/86/73/206088673.db2.gz SUQSFGNYXIAYCM-RKDXNWHRSA-N -1 3 237.299 2.262 20 0 BEADHM O=C([N-][C@H]1CC=CCC1)C(F)(F)C(F)F ZINC000226646506 182326064 /nfs/dbraw/zinc/32/60/64/182326064.db2.gz MFSBVLVGVFZJSO-LURJTMIESA-N -1 3 225.185 2.112 20 0 BEADHM O=C(N[C@H]1CC=CCC1)c1cccc([O-])c1 ZINC000084080343 182327226 /nfs/dbraw/zinc/32/72/26/182327226.db2.gz NNWWYKZXHHAXCQ-NSHDSACASA-N -1 3 217.268 2.231 20 0 BEADHM O=C([N-]c1ccc(F)cc1F)c1cnns1 ZINC000047410340 182356359 /nfs/dbraw/zinc/35/63/59/182356359.db2.gz ZQDAPMMTIJIYLV-UHFFFAOYSA-N -1 3 241.222 2.069 20 0 BEADHM O=C([N-]c1cc(F)cc(F)c1)c1cnns1 ZINC000047413653 182350037 /nfs/dbraw/zinc/35/00/37/182350037.db2.gz NIOFYPDZXYDWJB-UHFFFAOYSA-N -1 3 241.222 2.069 20 0 BEADHM O=C(Nc1cccc2ccsc21)c1cnn[n-]1 ZINC000337429378 182373341 /nfs/dbraw/zinc/37/33/41/182373341.db2.gz YILFJDFGBPFMAE-UHFFFAOYSA-N -1 3 244.279 2.272 20 0 BEADHM O=C(Nc1cccc2ccsc21)c1c[n-]nn1 ZINC000337429378 182373344 /nfs/dbraw/zinc/37/33/44/182373344.db2.gz YILFJDFGBPFMAE-UHFFFAOYSA-N -1 3 244.279 2.272 20 0 BEADHM O=C(Nc1cccc2ccsc21)c1cn[n-]n1 ZINC000337429378 182373347 /nfs/dbraw/zinc/37/33/47/182373347.db2.gz YILFJDFGBPFMAE-UHFFFAOYSA-N -1 3 244.279 2.272 20 0 BEADHM O=C([N-]c1ccon1)c1cc(F)c(F)c(F)c1 ZINC000063011902 182388709 /nfs/dbraw/zinc/38/87/09/182388709.db2.gz MSWKSMJRQWLGNM-UHFFFAOYSA-N -1 3 242.156 2.344 20 0 BEADHM CCCN(CC(=O)[O-])Cc1cc(F)ccc1F ZINC000043459120 169098465 /nfs/dbraw/zinc/09/84/65/169098465.db2.gz OGVGBJPSYBNNGA-UHFFFAOYSA-N -1 3 243.253 2.261 20 0 BEADHM CCCN(CC(=O)[O-])Cc1cc(C)ccc1F ZINC000233005537 169098555 /nfs/dbraw/zinc/09/85/55/169098555.db2.gz OQXCIZWDVNMNNW-UHFFFAOYSA-N -1 3 239.290 2.431 20 0 BEADHM [O-]c1ccc(-c2noc([C@H]3CCCOC3)n2)cc1 ZINC000062238330 183266547 /nfs/dbraw/zinc/26/65/47/183266547.db2.gz OBHDGRQORKVVTR-JTQLQIEISA-N -1 3 246.266 2.336 20 0 BEADHM [O-]c1ccc(F)c(CNc2nncs2)c1F ZINC000309499790 183273427 /nfs/dbraw/zinc/27/34/27/183273427.db2.gz LEBSFJKHJUEBJT-UHFFFAOYSA-N -1 3 243.238 2.134 20 0 BEADHM [O-]c1ccc(F)c(CN[C@H]2C[C@@H]2C(F)F)c1F ZINC000353494289 183273745 /nfs/dbraw/zinc/27/37/45/183273745.db2.gz YVJTTYUYQZNIBT-XNCJUZBTSA-N -1 3 249.207 2.414 20 0 BEADHM [O-]c1cc(F)cc(CN2CCCSCC2)c1 ZINC000274466962 183257916 /nfs/dbraw/zinc/25/79/16/183257916.db2.gz IYDRZBUIWBUIRQ-UHFFFAOYSA-N -1 3 241.331 2.470 20 0 BEADHM [O-]c1cccc(CN2CCCOCC2)c1Cl ZINC000328209428 183290154 /nfs/dbraw/zinc/29/01/54/183290154.db2.gz IFGPZHKXZHHSCR-UHFFFAOYSA-N -1 3 241.718 2.268 20 0 BEADHM [O-]c1cccc(CN[C@@H]2CCC[C@H]2O)c1Cl ZINC000293719280 183292182 /nfs/dbraw/zinc/29/21/82/183292182.db2.gz YJCQRJGBWWMUFG-NXEZZACHSA-N -1 3 241.718 2.049 20 0 BEADHM O=c1cccc2[nH][n-]c(Br)c1-2 ZINC000089195833 183294220 /nfs/dbraw/zinc/29/42/20/183294220.db2.gz GWBNRJCGIJNYSW-UHFFFAOYSA-N -1 3 213.034 2.031 20 0 BEADHM [O-]c1cccc2[nH]nc(Br)c21 ZINC000089195833 183294221 /nfs/dbraw/zinc/29/42/21/183294221.db2.gz GWBNRJCGIJNYSW-UHFFFAOYSA-N -1 3 213.034 2.031 20 0 BEADHM CCCO[N-]C(=O)CCCc1ccccc1 ZINC000085262352 169311365 /nfs/dbraw/zinc/31/13/65/169311365.db2.gz AATOMNGZYCOLOM-UHFFFAOYSA-N -1 3 221.300 2.467 20 0 BEADHM CCC[C@@H](N)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000272344312 169391331 /nfs/dbraw/zinc/39/13/31/169391331.db2.gz NJJDECOYBSPWLV-MRVPVSSYSA-N -1 3 242.706 2.112 20 0 BEADHM CC(C)C[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000184965760 134372052 /nfs/dbraw/zinc/37/20/52/134372052.db2.gz LNPOHGMFEHCYTH-SECBINFHSA-N -1 3 222.288 2.408 20 0 BEADHM CSC[C@H](C)C(=O)Nc1ccccc1[O-] ZINC000066927296 383902443 /nfs/dbraw/zinc/90/24/43/383902443.db2.gz SEXUXYPHTYGISP-QMMMGPOBSA-N -1 3 225.313 2.330 20 0 BEADHM CC(C)[C@H](C)CNC(=O)c1cccc([O-])c1 ZINC000081066949 383993269 /nfs/dbraw/zinc/99/32/69/383993269.db2.gz SXSGVWDTPDQANO-SNVBAGLBSA-N -1 3 221.300 2.414 20 0 BEADHM CCO[N-]C(=O)CCCOc1cccc(C)c1 ZINC000068744628 384015278 /nfs/dbraw/zinc/01/52/78/384015278.db2.gz BGKJVFISZYONBW-UHFFFAOYSA-N -1 3 237.299 2.222 20 0 BEADHM Cc1cccc(C(=O)N[C@H]2CC[C@@H]2C)c1[O-] ZINC000309433711 384075634 /nfs/dbraw/zinc/07/56/34/384075634.db2.gz MJMDYXJHLNCBAR-KWQFWETISA-N -1 3 219.284 2.229 20 0 BEADHM O=C(NCCC1CCCC1)c1c([O-])cccc1O ZINC000092107543 384142492 /nfs/dbraw/zinc/14/24/92/384142492.db2.gz LOCHZIGEBSEJHC-UHFFFAOYSA-N -1 3 249.310 2.408 20 0 BEADHM CON(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000071946487 384189057 /nfs/dbraw/zinc/18/90/57/384189057.db2.gz MACBEKBJHMTJNE-UHFFFAOYSA-N -1 3 223.272 2.149 20 0 BEADHM COc1ccc(C(=O)Nc2ccccc2[O-])cn1 ZINC000016483100 384214758 /nfs/dbraw/zinc/21/47/58/384214758.db2.gz PMVAWKUMWDSVMH-UHFFFAOYSA-N -1 3 244.250 2.048 20 0 BEADHM O=C(CC1CC1)Nc1ccc([O-])cc1F ZINC000082879373 384274851 /nfs/dbraw/zinc/27/48/51/384274851.db2.gz PEIZWGPQBBJCFP-UHFFFAOYSA-N -1 3 209.220 2.270 20 0 BEADHM COC(=O)c1ccc(-c2cc([O-])cc(F)c2)nc1 ZINC000097758669 384282260 /nfs/dbraw/zinc/28/22/60/384282260.db2.gz BVBRCZYDFQWYPT-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM Cc1ccc(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)o1 ZINC000304414645 384287656 /nfs/dbraw/zinc/28/76/56/384287656.db2.gz QDOQAPCHDTZKMF-CABZTGNLSA-N -1 3 237.299 2.131 20 0 BEADHM Cc1cccnc1CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000569583897 384288729 /nfs/dbraw/zinc/28/87/29/384288729.db2.gz AXABHDPZWKBQMZ-NSHDSACASA-N -1 3 248.326 2.075 20 0 BEADHM C[C@@H](NC(=O)/C=C/c1cncc([O-])c1)C(C)(C)C ZINC000179494269 384299504 /nfs/dbraw/zinc/29/95/04/384299504.db2.gz IPSLCCXNZPQDTD-BRAIEQGRSA-N -1 3 248.326 2.351 20 0 BEADHM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(C)s1 ZINC000083414669 384300873 /nfs/dbraw/zinc/30/08/73/384300873.db2.gz PZWHHOSUPPLKHL-JTQLQIEISA-N -1 3 227.329 2.352 20 0 BEADHM O=C(/C=C/c1cncc([O-])c1)N[C@H]1C=CCCC1 ZINC000179543856 384303521 /nfs/dbraw/zinc/30/35/21/384303521.db2.gz YHRYARZGHIUVLA-SYTKJHMZSA-N -1 3 244.294 2.025 20 0 BEADHM CCO[N-]C(=O)Cc1ccc(F)cc1Cl ZINC000134238108 384339557 /nfs/dbraw/zinc/33/95/57/384339557.db2.gz NISPKGAXGQHJQW-UHFFFAOYSA-N -1 3 231.654 2.089 20 0 BEADHM CC(C)c1cccc(NC(=O)c2nc[n-]n2)c1 ZINC000095039432 384327904 /nfs/dbraw/zinc/32/79/04/384327904.db2.gz RKHZYPLZSZVBQH-UHFFFAOYSA-N -1 3 230.271 2.180 20 0 BEADHM CC(C)CO[N-]C(=O)Cc1ccc(F)c(F)c1 ZINC000135329656 384435058 /nfs/dbraw/zinc/43/50/58/384435058.db2.gz RHUHLZJMYVTRAJ-UHFFFAOYSA-N -1 3 243.253 2.211 20 0 BEADHM O=C(CCc1ccccn1)[N-]OC1CCCC1 ZINC000135357699 384436344 /nfs/dbraw/zinc/43/63/44/384436344.db2.gz DSQPRTUOGKVAEA-UHFFFAOYSA-N -1 3 234.299 2.005 20 0 BEADHM O=C(c1cccc([O-])c1)N1CC[C@H]2CCC[C@@H]21 ZINC000334328013 384436637 /nfs/dbraw/zinc/43/66/37/384436637.db2.gz MOKXCZJXOIVGTK-MFKMUULPSA-N -1 3 231.295 2.407 20 0 BEADHM O=C(c1cccc([O-])c1)N1CC[C@H]2CCC[C@H]21 ZINC000334328017 384437607 /nfs/dbraw/zinc/43/76/07/384437607.db2.gz MOKXCZJXOIVGTK-ZWNOBZJWSA-N -1 3 231.295 2.407 20 0 BEADHM CCOCc1nc(=O)c2cc(CC)sc2[n-]1 ZINC000361395949 384473024 /nfs/dbraw/zinc/47/30/24/384473024.db2.gz QTBRETKBISIERH-UHFFFAOYSA-N -1 3 238.312 2.496 20 0 BEADHM O=C([O-])CCN(Cc1cccs1)C1CC1 ZINC000037474153 384502819 /nfs/dbraw/zinc/50/28/19/384502819.db2.gz WGACHUNNVRASKW-UHFFFAOYSA-N -1 3 225.313 2.187 20 0 BEADHM O=C(C[C@@H]1C=CCC1)N=c1cc2ccccn2[n-]1 ZINC000561147082 384530862 /nfs/dbraw/zinc/53/08/62/384530862.db2.gz JOSYUFMTPPVUOW-LLVKDONJSA-N -1 3 241.294 2.051 20 0 BEADHM CCO[N-]C(=O)Nc1ccc2cnn(CC)c2c1 ZINC000183978754 384544927 /nfs/dbraw/zinc/54/49/27/384544927.db2.gz LTHXUIJOZCLKFS-UHFFFAOYSA-N -1 3 248.286 2.129 20 0 BEADHM Cc1ccc(CNCc2ncccc2[O-])s1 ZINC000309712301 384553270 /nfs/dbraw/zinc/55/32/70/384553270.db2.gz RDDCRKQURTULQE-UHFFFAOYSA-N -1 3 234.324 2.447 20 0 BEADHM CN(Cc1cc([O-])cc(F)c1)C[C@H]1CCCO1 ZINC000184149226 384572486 /nfs/dbraw/zinc/57/24/86/384572486.db2.gz VWAARHDKCAIVCP-CYBMUJFWSA-N -1 3 239.290 2.142 20 0 BEADHM CC(C)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000184186185 384574605 /nfs/dbraw/zinc/57/46/05/384574605.db2.gz YONYNMYINOGSAZ-UHFFFAOYSA-N -1 3 225.263 2.420 20 0 BEADHM CO[C@H](C)CCC(=O)Nc1c(C)cccc1[O-] ZINC000184164714 384576145 /nfs/dbraw/zinc/57/61/45/384576145.db2.gz UTMMFWQDVLUWDM-SNVBAGLBSA-N -1 3 237.299 2.454 20 0 BEADHM O=C(c1cccc([O-])c1)N1CCCC2(CC2)C1 ZINC000184100693 384565164 /nfs/dbraw/zinc/56/51/64/384565164.db2.gz NLPZTILKTRBHAS-UHFFFAOYSA-N -1 3 231.295 2.408 20 0 BEADHM CCO[N-]C(=O)Nc1cccc(C(=O)CC)c1 ZINC000184099142 384565690 /nfs/dbraw/zinc/56/56/90/384565690.db2.gz VICRXFKVZJOVGM-UHFFFAOYSA-N -1 3 236.271 2.352 20 0 BEADHM C[C@H]1C[C@@H](NC(=O)c2cccc([O-])c2)CS1 ZINC000335261220 384664497 /nfs/dbraw/zinc/66/44/97/384664497.db2.gz QHJONPKADFHSFI-WCBMZHEXSA-N -1 3 237.324 2.016 20 0 BEADHM CCO[N-]C(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000173252441 384667159 /nfs/dbraw/zinc/66/71/59/384667159.db2.gz JKGAKXUTZCRRTB-JTQLQIEISA-N -1 3 239.290 2.462 20 0 BEADHM C[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])CS1 ZINC000335203681 384667731 /nfs/dbraw/zinc/66/77/31/384667731.db2.gz WFRBOAHTSHSEKP-DTWKUNHWSA-N -1 3 237.324 2.016 20 0 BEADHM Cc1cccc(C(=O)NCc2nccs2)c1[O-] ZINC000042339700 384639757 /nfs/dbraw/zinc/63/97/57/384639757.db2.gz XREAAARYHUYGEA-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(F)cc1F ZINC000050885411 384650028 /nfs/dbraw/zinc/65/00/28/384650028.db2.gz FEUYLXXOOZTHKN-NSHDSACASA-N -1 3 243.253 2.260 20 0 BEADHM CCC[C@H](NCc1ccc(F)cc1F)C(=O)[O-] ZINC000050885372 384650416 /nfs/dbraw/zinc/65/04/16/384650416.db2.gz STUPXMDADZQOIL-NSHDSACASA-N -1 3 243.253 2.308 20 0 BEADHM COc1cc(C(=O)N2CCCC[C@H]2C)ccc1[O-] ZINC000082265689 384657921 /nfs/dbraw/zinc/65/79/21/384657921.db2.gz XZAMVKSGUDJPAT-SNVBAGLBSA-N -1 3 249.310 2.415 20 0 BEADHM CCC[C@H](N)C(=O)Nc1cccc(Cl)c1[O-] ZINC000262699213 384712523 /nfs/dbraw/zinc/71/25/23/384712523.db2.gz GGFZQXGEBYCIOQ-QMMMGPOBSA-N -1 3 242.706 2.112 20 0 BEADHM CC[C@@H](C)CNC(=O)c1cc(C)ccc1[O-] ZINC000054475116 384732630 /nfs/dbraw/zinc/73/26/30/384732630.db2.gz WZJFFGIQTRGIDR-SECBINFHSA-N -1 3 221.300 2.477 20 0 BEADHM Cc1ccc(C(=O)Nc2ncccc2O)c([O-])c1 ZINC000090377457 384740629 /nfs/dbraw/zinc/74/06/29/384740629.db2.gz QBDKTMOYULZGEX-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM Cc1ccc(C(=O)Nc2ncccc2[O-])c(O)c1 ZINC000090377457 384740638 /nfs/dbraw/zinc/74/06/38/384740638.db2.gz QBDKTMOYULZGEX-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM CCCCN(C)C(=O)c1cc(OC)ccc1[O-] ZINC000054918248 384742566 /nfs/dbraw/zinc/74/25/66/384742566.db2.gz SPRNVGYTPOAQFI-UHFFFAOYSA-N -1 3 237.299 2.273 20 0 BEADHM CC(=O)CCCC(=O)Nc1c(C)cccc1[O-] ZINC000185917419 384786593 /nfs/dbraw/zinc/78/65/93/384786593.db2.gz ASTORLLWDRIXEW-UHFFFAOYSA-N -1 3 235.283 2.398 20 0 BEADHM CO[N-]C(=O)CCSc1ccc(C)c(C)c1 ZINC000053720766 384803353 /nfs/dbraw/zinc/80/33/53/384803353.db2.gz GHNRBMFGCPTIQM-UHFFFAOYSA-N -1 3 239.340 2.463 20 0 BEADHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000186822006 384888463 /nfs/dbraw/zinc/88/84/63/384888463.db2.gz QEGLUJNARFXLAA-IUCAKERBSA-N -1 3 220.272 2.018 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2CCCOC2)c([O-])c1 ZINC000054768867 384855604 /nfs/dbraw/zinc/85/56/04/384855604.db2.gz XJCQVLIFKIILKX-SNVBAGLBSA-N -1 3 235.283 2.066 20 0 BEADHM CC(C)(C)/C=C\C(=O)[N-]O[C@@H]1CCCCO1 ZINC000491858538 384901848 /nfs/dbraw/zinc/90/18/48/384901848.db2.gz HOGXAQFZWXEXPS-SKVAFPRGSA-N -1 3 227.304 2.163 20 0 BEADHM Cc1cc(C(=O)NC2CCCC2)ccc1[O-] ZINC000202526748 384940506 /nfs/dbraw/zinc/94/05/06/384940506.db2.gz GDMCBMLHIPVULJ-UHFFFAOYSA-N -1 3 219.284 2.373 20 0 BEADHM COC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000199821583 385006325 /nfs/dbraw/zinc/00/63/25/385006325.db2.gz GUXYNJAVRSXZCA-UHFFFAOYSA-N -1 3 220.146 2.198 20 0 BEADHM CC(C)C[C@H](C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000557533425 385007272 /nfs/dbraw/zinc/00/72/72/385007272.db2.gz MTDMJNMAYDXFNV-NSHDSACASA-N -1 3 245.326 2.377 20 0 BEADHM CC[C@H](NCc1cc(C)ccc1F)C(=O)[O-] ZINC000647466534 385054437 /nfs/dbraw/zinc/05/44/37/385054437.db2.gz IZMUQEPMRRLIOF-NSHDSACASA-N -1 3 225.263 2.087 20 0 BEADHM CCO[N-]C(=O)CCCOc1cccc(F)c1 ZINC000059856852 385057716 /nfs/dbraw/zinc/05/77/16/385057716.db2.gz OCLGZTQEAHCGJX-UHFFFAOYSA-N -1 3 241.262 2.052 20 0 BEADHM CO[N-]C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000151058723 385084487 /nfs/dbraw/zinc/08/44/87/385084487.db2.gz CYBRRNPMMRBPSP-BQBZGAKWSA-N -1 3 243.665 2.260 20 0 BEADHM CSC(C)(C)CNC(=O)c1ccccc1[O-] ZINC000128334871 385025003 /nfs/dbraw/zinc/02/50/03/385025003.db2.gz JBFPMPSBBVEXMX-UHFFFAOYSA-N -1 3 239.340 2.264 20 0 BEADHM O=[S@](C[C@H]1CCCCO1)c1ccc([O-])cc1 ZINC000176437663 385087325 /nfs/dbraw/zinc/08/73/25/385087325.db2.gz RWCFBUGTKIRUGG-BDJLRTHQSA-N -1 3 240.324 2.069 20 0 BEADHM CCC[C@H](C)CC(=O)[N-]OCc1cccnc1 ZINC000152434670 385180313 /nfs/dbraw/zinc/18/03/13/385180313.db2.gz LWPUMGFLYMFKGE-NSHDSACASA-N -1 3 236.315 2.456 20 0 BEADHM CCc1cccc(C(=O)N[C@@H](C)CF)c1[O-] ZINC000647075593 385228779 /nfs/dbraw/zinc/22/87/79/385228779.db2.gz BKWJWMXCZURJSY-QMMMGPOBSA-N -1 3 225.263 2.042 20 0 BEADHM CCO[N-]C(=O)C1(Cc2ccccc2)CC1 ZINC000177414540 385235398 /nfs/dbraw/zinc/23/53/98/385235398.db2.gz COBBBNUGEDZSCP-UHFFFAOYSA-N -1 3 219.284 2.077 20 0 BEADHM Cc1ccc(C(=O)N[C@@H]2CC23CC3)c([O-])c1C ZINC000424961082 385252673 /nfs/dbraw/zinc/25/26/73/385252673.db2.gz ABPRZOWTUDAMLB-LLVKDONJSA-N -1 3 231.295 2.291 20 0 BEADHM CCO[C@@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153418663 385254802 /nfs/dbraw/zinc/25/48/02/385254802.db2.gz NRRIKQHBSOUVKH-ZETCQYMHSA-N -1 3 243.690 2.409 20 0 BEADHM CC[C@H](CO)N(C)Cc1cc([O-])ccc1Cl ZINC000625449494 385301213 /nfs/dbraw/zinc/30/12/13/385301213.db2.gz CMYPUMONWHBHFA-SNVBAGLBSA-N -1 3 243.734 2.248 20 0 BEADHM CO[N-]C(=O)CCc1ccc(CC(C)C)cc1 ZINC000155413660 385389678 /nfs/dbraw/zinc/38/96/78/385389678.db2.gz SXBDVPLVXQPCHO-UHFFFAOYSA-N -1 3 235.327 2.495 20 0 BEADHM CC(C)=CC(=O)NCc1ccc([O-])c(F)c1 ZINC000154803120 385357892 /nfs/dbraw/zinc/35/78/92/385357892.db2.gz PEHZEVCRDZCSKP-UHFFFAOYSA-N -1 3 223.247 2.114 20 0 BEADHM CCN(CC1CC1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192586800 385364256 /nfs/dbraw/zinc/36/42/56/385364256.db2.gz NAQZJJXYGVDBOB-SNVBAGLBSA-N -1 3 235.331 2.284 20 0 BEADHM CCC1(CNC(=O)/C=C\c2cncc([O-])c2)CC1 ZINC000492471443 385386907 /nfs/dbraw/zinc/38/69/07/385386907.db2.gz IFEIPPXPAJGNMY-ARJAWSKDSA-N -1 3 246.310 2.107 20 0 BEADHM CCC[C@H]1C[C@@H]1C(=O)Nc1nc(C)ccc1[O-] ZINC000360783970 385398636 /nfs/dbraw/zinc/39/86/36/385398636.db2.gz UCSAVALJYZALBK-UWVGGRQHSA-N -1 3 234.299 2.470 20 0 BEADHM CC[C@@H](C)CSc1ncc(C(=O)OC)[n-]1 ZINC000193537740 385399886 /nfs/dbraw/zinc/39/98/86/385399886.db2.gz BOBBBHKNNYOKQG-SSDOTTSWSA-N -1 3 228.317 2.335 20 0 BEADHM COC(=O)c1cnc(SC/C=C/Cl)[n-]1 ZINC000193535625 385401659 /nfs/dbraw/zinc/40/16/59/385401659.db2.gz NSHUADWZSXMLTA-NSCUHMNNSA-N -1 3 232.692 2.041 20 0 BEADHM CCc1cc(C(=O)N2CC=CCC2)ccc1[O-] ZINC000644055410 385406463 /nfs/dbraw/zinc/40/64/63/385406463.db2.gz GFWLQZHMETZTLC-UHFFFAOYSA-N -1 3 231.295 2.357 20 0 BEADHM CCc1cc(C(=O)N2CC(F)(F)C2)ccc1[O-] ZINC000644056028 385406480 /nfs/dbraw/zinc/40/64/80/385406480.db2.gz QELBDTBFEXKQNZ-UHFFFAOYSA-N -1 3 241.237 2.046 20 0 BEADHM CCC[C@H](CC)NC(=O)/C=C/c1cncc([O-])c1 ZINC000181937030 385447201 /nfs/dbraw/zinc/44/72/01/385447201.db2.gz UPRRSLVJCDULQO-SYTKJHMZSA-N -1 3 248.326 2.495 20 0 BEADHM CO[C@H]1CCN(Cc2cccc([O-])c2Cl)C1 ZINC000295222901 385502369 /nfs/dbraw/zinc/50/23/69/385502369.db2.gz BXLKMBCAIDUFJV-JTQLQIEISA-N -1 3 241.718 2.266 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(N(C)C)cc1C ZINC000158143714 385551341 /nfs/dbraw/zinc/55/13/41/385551341.db2.gz HFTIRCNUOFWFPR-UHFFFAOYSA-N -1 3 237.303 2.134 20 0 BEADHM CC1(C(=O)[N-]OCc2cccnc2)CCCC1 ZINC000269518052 385602266 /nfs/dbraw/zinc/60/22/66/385602266.db2.gz KXWKPQXMKQKKFC-UHFFFAOYSA-N -1 3 234.299 2.210 20 0 BEADHM CC(C)CON=C([O-])Nc1ccn(C(C)C)n1 ZINC000280836399 385609445 /nfs/dbraw/zinc/60/94/45/385609445.db2.gz VSCVBIKGCHSQOU-UHFFFAOYSA-N -1 3 240.307 2.173 20 0 BEADHM CC(C)CO[N-]C(=O)Nc1ccn(C(C)C)n1 ZINC000280836399 385609451 /nfs/dbraw/zinc/60/94/51/385609451.db2.gz VSCVBIKGCHSQOU-UHFFFAOYSA-N -1 3 240.307 2.173 20 0 BEADHM CC(Cl)(Cl)C(=O)[N-]Cc1ccco1 ZINC000182233441 385647588 /nfs/dbraw/zinc/64/75/88/385647588.db2.gz ZEVQOVQQPZKOTR-UHFFFAOYSA-N -1 3 222.071 2.090 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C(=O)C(C)(C)C)c1 ZINC000270391806 385703833 /nfs/dbraw/zinc/70/38/33/385703833.db2.gz SIEMKDKPISUKBE-UHFFFAOYSA-N -1 3 235.283 2.254 20 0 BEADHM CC(C)(C)C(=O)C(=O)Nc1cc(F)ccc1[O-] ZINC000270395415 385704300 /nfs/dbraw/zinc/70/43/00/385704300.db2.gz TZZCGIFFKKJZQO-UHFFFAOYSA-N -1 3 239.246 2.085 20 0 BEADHM CC(C)(C)OCC(=O)Nc1cc(F)ccc1[O-] ZINC000182444952 385670807 /nfs/dbraw/zinc/67/08/07/385670807.db2.gz MUDSTGGVDDXFPC-UHFFFAOYSA-N -1 3 241.262 2.285 20 0 BEADHM CSCCC(=O)Nc1c(C)cccc1[O-] ZINC000183037556 385729195 /nfs/dbraw/zinc/72/91/95/385729195.db2.gz CXIAEHIODLYNFE-UHFFFAOYSA-N -1 3 225.313 2.392 20 0 BEADHM CCO[N-]C(=O)Nc1cccc(F)c1C ZINC000183008517 385729933 /nfs/dbraw/zinc/72/99/33/385729933.db2.gz DIKLXUIVDZUAMC-UHFFFAOYSA-N -1 3 212.224 2.207 20 0 BEADHM Cc1noc([N-]C(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c1C ZINC000282192765 385740217 /nfs/dbraw/zinc/74/02/17/385740217.db2.gz MLUWHMUCZIUYKQ-NYNCVSEMSA-N -1 3 238.287 2.043 20 0 BEADHM C[C@@H]1OCCN(Cc2cc([O-])cc(F)c2)[C@H]1C ZINC000186228536 385750202 /nfs/dbraw/zinc/75/02/02/385750202.db2.gz ZYDWMAAZZAFEGM-UWVGGRQHSA-N -1 3 239.290 2.141 20 0 BEADHM O=C(CC1CCC1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647797367 385774368 /nfs/dbraw/zinc/77/43/68/385774368.db2.gz KAPAAPYUDGMJIN-UHFFFAOYSA-N -1 3 245.282 2.397 20 0 BEADHM CO[C@H](C)CCC(=O)Nc1ccc(C)cc1[O-] ZINC000182966719 385725667 /nfs/dbraw/zinc/72/56/67/385725667.db2.gz QZSAXIGLDDDOOI-SNVBAGLBSA-N -1 3 237.299 2.454 20 0 BEADHM CCO[N-]C(=O)Nc1ccc2oc(CC)nc2c1 ZINC000182985963 385727179 /nfs/dbraw/zinc/72/71/79/385727179.db2.gz MFFGYXLSJHASDH-UHFFFAOYSA-N -1 3 249.270 2.463 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@H](C)C(C)(F)F)n1 ZINC000294140709 385812910 /nfs/dbraw/zinc/81/29/10/385812910.db2.gz HLYOMTAIYBZTCP-ZETCQYMHSA-N -1 3 244.241 2.325 20 0 BEADHM Cc1noc(C)c1C(C)(C)[N-]C(=O)C(C)(F)F ZINC000294165322 385814959 /nfs/dbraw/zinc/81/49/59/385814959.db2.gz WDOSJMKHLAEOPF-UHFFFAOYSA-N -1 3 246.257 2.298 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@H]2C)c1 ZINC000294206377 385821556 /nfs/dbraw/zinc/82/15/56/385821556.db2.gz QSXFQUZECUQJGD-NXEZZACHSA-N -1 3 219.284 2.181 20 0 BEADHM CO[C@@H](C)CCNCc1c(F)ccc([O-])c1F ZINC000294266701 385831233 /nfs/dbraw/zinc/83/12/33/385831233.db2.gz OFVBVJUEZKBJLP-QMMMGPOBSA-N -1 3 245.269 2.185 20 0 BEADHM Cc1cnccc1NC(=O)[N-]OC1CCCC1 ZINC000271804048 385851456 /nfs/dbraw/zinc/85/14/56/385851456.db2.gz KRZLXVBQZJYGNZ-UHFFFAOYSA-N -1 3 235.287 2.386 20 0 BEADHM COC1([C@@H](C)NC(=O)c2cccc([O-])c2)CCC1 ZINC000413969786 385919020 /nfs/dbraw/zinc/91/90/20/385919020.db2.gz FGSGTGWBXHCTOU-SNVBAGLBSA-N -1 3 249.310 2.080 20 0 BEADHM CCOc1cc(C(=O)[N-]c2cccc(C)n2)on1 ZINC000294582355 385871284 /nfs/dbraw/zinc/87/12/84/385871284.db2.gz TWRPJPHHBAKYJU-UHFFFAOYSA-N -1 3 247.254 2.029 20 0 BEADHM CCN(C)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000273225872 385979823 /nfs/dbraw/zinc/97/98/23/385979823.db2.gz NSZATLDDHKOGIE-UHFFFAOYSA-N -1 3 244.294 2.341 20 0 BEADHM C[C@@H](NC(=O)c1cccc([O-])c1)C(F)(F)F ZINC000291742778 385942930 /nfs/dbraw/zinc/94/29/30/385942930.db2.gz KTGXGFRMCVMFFX-ZCFIWIBFSA-N -1 3 233.189 2.073 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@]2(C)CC2(F)F)n1 ZINC000335058355 385958471 /nfs/dbraw/zinc/95/84/71/385958471.db2.gz NSKMCRJFFFWVNB-JTQLQIEISA-N -1 3 242.225 2.079 20 0 BEADHM CN(C(=O)c1csc(=O)[n-]1)C1(C)CCCC1 ZINC000335013258 385969105 /nfs/dbraw/zinc/96/91/05/385969105.db2.gz XWXDDTHIHGGTJJ-UHFFFAOYSA-N -1 3 240.328 2.253 20 0 BEADHM CC[C@@H](C)C(=O)Nc1nc(C)ccc1[O-] ZINC000273524039 386009791 /nfs/dbraw/zinc/00/97/91/386009791.db2.gz QYNKJIRPBHLPQC-SSDOTTSWSA-N -1 3 208.261 2.080 20 0 BEADHM CC(C)[C@H](C)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000221634807 386012863 /nfs/dbraw/zinc/01/28/63/386012863.db2.gz RGTMJEAXEJHXSH-VIFPVBQESA-N -1 3 237.299 2.214 20 0 BEADHM Cc1[nH]nc(C(=O)Nc2cccc([O-])c2F)c1C ZINC000334422881 386028796 /nfs/dbraw/zinc/02/87/96/386028796.db2.gz DXPPZKSMUKFRMA-UHFFFAOYSA-N -1 3 249.245 2.124 20 0 BEADHM Cc1ccc([O-])c(CN2CCC[C@](C)(F)C2)n1 ZINC000295973765 386118311 /nfs/dbraw/zinc/11/83/11/386118311.db2.gz IVFBBBNIZFZDTK-ZDUSSCGKSA-N -1 3 238.306 2.420 20 0 BEADHM Cc1nc(CCCC(=O)[N-]OC(C)C)cs1 ZINC000295744858 386079259 /nfs/dbraw/zinc/07/92/59/386079259.db2.gz TYSRXAXNHWEABG-UHFFFAOYSA-N -1 3 242.344 2.230 20 0 BEADHM CC(C)CO[N-]C(=O)C[C@H]1C=CCCC1 ZINC000275026053 386171853 /nfs/dbraw/zinc/17/18/53/386171853.db2.gz NCTGSCQEEBMFAR-NSHDSACASA-N -1 3 211.305 2.437 20 0 BEADHM O=S(=O)([N-]c1ccc(Cl)cc1F)C1CC1 ZINC000263867921 386185418 /nfs/dbraw/zinc/18/54/18/386185418.db2.gz XAZNMXJMCBQVMN-UHFFFAOYSA-N -1 3 249.694 2.383 20 0 BEADHM O=S(=O)([N-]CC1=CCCCC1)c1ccco1 ZINC000296124880 386140822 /nfs/dbraw/zinc/14/08/22/386140822.db2.gz HXSSZSCVUWKXRO-UHFFFAOYSA-N -1 3 241.312 2.058 20 0 BEADHM COc1cc(C(=O)N2CC[C@H](C)[C@H]2C)ccc1[O-] ZINC000276010947 386259624 /nfs/dbraw/zinc/25/96/24/386259624.db2.gz QIIJMFUTMJNDIL-VHSXEESVSA-N -1 3 249.310 2.271 20 0 BEADHM CC(C)C(C)(C)CNc1nc2nncc-2c(O)[n-]1 ZINC000275403141 386208772 /nfs/dbraw/zinc/20/87/72/386208772.db2.gz FGNSWCOUHKJTLL-UHFFFAOYSA-N -1 3 249.318 2.153 20 0 BEADHM O=S(=O)([N-]CC1CCCCC1)c1ccco1 ZINC000275457218 386213457 /nfs/dbraw/zinc/21/34/57/386213457.db2.gz JOGKCBBLWSWLIF-UHFFFAOYSA-N -1 3 243.328 2.138 20 0 BEADHM CCO[C@@H]1C[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000264659241 386259912 /nfs/dbraw/zinc/25/99/12/386259912.db2.gz UMAFNAQVEXDOOA-GHMZBOCLSA-N -1 3 246.266 2.335 20 0 BEADHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000275454904 386214115 /nfs/dbraw/zinc/21/41/15/386214115.db2.gz JDTVLEWUEREDGB-UWVGGRQHSA-N -1 3 243.328 2.137 20 0 BEADHM COc1cc(C(=O)N2CC[C@@H](C)[C@@H]2C)ccc1[O-] ZINC000276010950 386260413 /nfs/dbraw/zinc/26/04/13/386260413.db2.gz QIIJMFUTMJNDIL-ZJUUUORDSA-N -1 3 249.310 2.271 20 0 BEADHM Cc1cnc([C@H](C)[N-]C(=O)C(C)(F)F)s1 ZINC000289059475 386257614 /nfs/dbraw/zinc/25/76/14/386257614.db2.gz ATXPTTVLMCRNSO-LURJTMIESA-N -1 3 234.271 2.284 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC[C@H]2CC23CC3)c1 ZINC000416076098 386193739 /nfs/dbraw/zinc/19/37/39/386193739.db2.gz RAXPLFPFGDNAJG-SNVBAGLBSA-N -1 3 231.295 2.231 20 0 BEADHM C[C@@H]1CC(C)(C)CN1C(=O)c1ccc(O)cc1[O-] ZINC000335264565 386298220 /nfs/dbraw/zinc/29/82/20/386298220.db2.gz MYRLVMCQPZEQQD-SECBINFHSA-N -1 3 249.310 2.358 20 0 BEADHM CSc1cccc(NC(=O)c2cnn[n-]2)c1C ZINC000334480986 386299268 /nfs/dbraw/zinc/29/92/68/386299268.db2.gz VPKTVZFAXHEWPF-UHFFFAOYSA-N -1 3 248.311 2.087 20 0 BEADHM CSc1cccc(NC(=O)c2c[n-]nn2)c1C ZINC000334480986 386299273 /nfs/dbraw/zinc/29/92/73/386299273.db2.gz VPKTVZFAXHEWPF-UHFFFAOYSA-N -1 3 248.311 2.087 20 0 BEADHM CSc1cccc(NC(=O)c2cn[n-]n2)c1C ZINC000334480986 386299278 /nfs/dbraw/zinc/29/92/78/386299278.db2.gz VPKTVZFAXHEWPF-UHFFFAOYSA-N -1 3 248.311 2.087 20 0 BEADHM CC(C)c1cc(C(=O)Nc2ncccc2[O-])on1 ZINC000265036712 386300392 /nfs/dbraw/zinc/30/03/92/386300392.db2.gz PIAPUOFOXUPUOC-UHFFFAOYSA-N -1 3 247.254 2.151 20 0 BEADHM CCc1ccc(C(=O)N(C)CC)c([O-])c1 ZINC000276017111 386262880 /nfs/dbraw/zinc/26/28/80/386262880.db2.gz ARMHESGQAHZCNR-UHFFFAOYSA-N -1 3 207.273 2.047 20 0 BEADHM CCc1ccc(C(=O)N2CCCC2)c([O-])c1 ZINC000276136964 386279272 /nfs/dbraw/zinc/27/92/72/386279272.db2.gz NTAJLIUEIOANAB-UHFFFAOYSA-N -1 3 219.284 2.191 20 0 BEADHM CC[C@@H](C)CC(=O)Nc1nc(C)ccc1[O-] ZINC000276721213 386368815 /nfs/dbraw/zinc/36/88/15/386368815.db2.gz BUWNDHQQXXJJGJ-MRVPVSSYSA-N -1 3 222.288 2.470 20 0 BEADHM Cc1cc(C(=O)N(C)CC(F)(F)F)ccc1[O-] ZINC000226716529 386369278 /nfs/dbraw/zinc/36/92/78/386369278.db2.gz FWQNRVCXQDGGCO-UHFFFAOYSA-N -1 3 247.216 2.335 20 0 BEADHM COc1cc(C(=O)NCCC=C(C)C)ccc1[O-] ZINC000276747514 386371802 /nfs/dbraw/zinc/37/18/02/386371802.db2.gz ZLHLMYRTABTPMS-UHFFFAOYSA-N -1 3 249.310 2.487 20 0 BEADHM COc1ccc(C[N-]c2nc(C(C)C)no2)nc1 ZINC000277503493 386441848 /nfs/dbraw/zinc/44/18/48/386441848.db2.gz AYFQTOCLUYLWRY-UHFFFAOYSA-N -1 3 248.286 2.209 20 0 BEADHM CCc1cccc(F)c1CNC[C@H](C)C(=O)[O-] ZINC000417592127 386420257 /nfs/dbraw/zinc/42/02/57/386420257.db2.gz XUTNHRRICYYQLB-VIFPVBQESA-N -1 3 239.290 2.198 20 0 BEADHM CCCCC[C@@H](C)Nc1nc2nncc-2c(O)[n-]1 ZINC000277336050 386426987 /nfs/dbraw/zinc/42/69/87/386426987.db2.gz YXYJYNLYTLWDHJ-MRVPVSSYSA-N -1 3 249.318 2.439 20 0 BEADHM CCCN(Cc1ncccc1[O-])C1CC1 ZINC000519568390 386490005 /nfs/dbraw/zinc/49/00/05/386490005.db2.gz RCMOZENMTJXMFT-UHFFFAOYSA-N -1 3 206.289 2.162 20 0 BEADHM CCO[N-]C(=O)/C(C)=C/c1ccc(F)cc1 ZINC000267182584 386507095 /nfs/dbraw/zinc/50/70/95/386507095.db2.gz ICIOWGHZGNNFMY-CMDGGOBGSA-N -1 3 223.247 2.297 20 0 BEADHM CCC[C@H](C)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000525865279 386512501 /nfs/dbraw/zinc/51/25/01/386512501.db2.gz XIMBEQHPGYCFQR-VIFPVBQESA-N -1 3 246.314 2.219 20 0 BEADHM CCC[C@H](C)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000525865279 386512504 /nfs/dbraw/zinc/51/25/04/386512504.db2.gz XIMBEQHPGYCFQR-VIFPVBQESA-N -1 3 246.314 2.219 20 0 BEADHM CCC[C@H](C)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000525865279 386512510 /nfs/dbraw/zinc/51/25/10/386512510.db2.gz XIMBEQHPGYCFQR-VIFPVBQESA-N -1 3 246.314 2.219 20 0 BEADHM CC(C)O[C@@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000335490559 386606730 /nfs/dbraw/zinc/60/67/30/386606730.db2.gz VEGMVVJOQHCCSR-CYBMUJFWSA-N -1 3 249.310 2.032 20 0 BEADHM CCc1cc(C(=O)N[C@H](C)CF)ccc1[O-] ZINC000292038733 386610632 /nfs/dbraw/zinc/61/06/32/386610632.db2.gz ZFVHAURVGWSCMG-MRVPVSSYSA-N -1 3 225.263 2.042 20 0 BEADHM CCc1cc(C(=O)N[C@@H](C)CF)ccc1[O-] ZINC000292038735 386610750 /nfs/dbraw/zinc/61/07/50/386610750.db2.gz ZFVHAURVGWSCMG-QMMMGPOBSA-N -1 3 225.263 2.042 20 0 BEADHM COc1cc(C(=O)NCCC(C)C)ccc1[O-] ZINC000268059753 386615381 /nfs/dbraw/zinc/61/53/81/386615381.db2.gz CPMIZJJVQHCCQI-UHFFFAOYSA-N -1 3 237.299 2.177 20 0 BEADHM C/C=C(\C=C\C(=O)[N-]O[C@H]1CCCCO1)CC ZINC000268791986 386694052 /nfs/dbraw/zinc/69/40/52/386694052.db2.gz GKBSZTNPBLTCSK-DJXQNAOTSA-N -1 3 239.315 2.473 20 0 BEADHM CO[N-]C(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000279706868 386724189 /nfs/dbraw/zinc/72/41/89/386724189.db2.gz KDNLOPNYJDORSI-VIFPVBQESA-N -1 3 232.283 2.339 20 0 BEADHM C[C@@H]1C[C@H]1CC(=O)Nc1ccccc1[O-] ZINC000334145998 386747281 /nfs/dbraw/zinc/74/72/81/386747281.db2.gz BIXWQTVQJNBZJL-BDAKNGLRSA-N -1 3 205.257 2.377 20 0 BEADHM Cc1cc(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)ccc1[O-] ZINC000428071940 386767605 /nfs/dbraw/zinc/76/76/05/386767605.db2.gz GZIJZODYIMJDEZ-PTEHBNRSSA-N -1 3 231.295 2.229 20 0 BEADHM CC/C=C(\C)C(=O)Nc1nc(C)ccc1[O-] ZINC000280020836 386768364 /nfs/dbraw/zinc/76/83/64/386768364.db2.gz DHLDLPGOQLPOIT-VMPITWQZSA-N -1 3 220.272 2.390 20 0 BEADHM C/C=C(\C)C(=O)Nc1nc(C)ccc1[O-] ZINC000280246748 386792853 /nfs/dbraw/zinc/79/28/53/386792853.db2.gz YZFFBZFWNYABOY-QPJJXVBHSA-N -1 3 206.245 2.000 20 0 BEADHM COC[C@H]([N-]C(=O)C(C)(F)F)c1ccc(C)o1 ZINC000293262276 386794810 /nfs/dbraw/zinc/79/48/10/386794810.db2.gz QBBUMOLNXFHLNI-QMMMGPOBSA-N -1 3 247.241 2.047 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-]CCC(C)(C)C)o1 ZINC000330661546 386817464 /nfs/dbraw/zinc/81/74/64/386817464.db2.gz SZCYJKLCDAUVBN-UHFFFAOYSA-N -1 3 245.344 2.303 20 0 BEADHM C[C@@H](C(=O)Nc1ncccc1[O-])C(C)(F)F ZINC000293467550 386823578 /nfs/dbraw/zinc/82/35/78/386823578.db2.gz LVXDZLAOLHRCII-LURJTMIESA-N -1 3 230.214 2.017 20 0 BEADHM Cc1ccc([O-])c(NC(=O)CCC(C)C)n1 ZINC000330804552 386892161 /nfs/dbraw/zinc/89/21/61/386892161.db2.gz IEWNTJQQGDLDHN-UHFFFAOYSA-N -1 3 222.288 2.470 20 0 BEADHM CC(C)(C)C(C)(C)NC(=O)c1csc(=O)[n-]1 ZINC000334790844 386856653 /nfs/dbraw/zinc/85/66/53/386856653.db2.gz XLJNAGLZXQTLSN-UHFFFAOYSA-N -1 3 242.344 2.403 20 0 BEADHM CC[C@@H](C)CONC(=O)c1cccc([O-])c1 ZINC000293777568 386877502 /nfs/dbraw/zinc/87/75/02/386877502.db2.gz RHNFBPBTDXNNPT-SECBINFHSA-N -1 3 223.272 2.100 20 0 BEADHM C[C@H]1[C@@H](C(=O)Nc2ccccc2[O-])C1(F)F ZINC000335751390 386877500 /nfs/dbraw/zinc/87/75/00/386877500.db2.gz SJTARTMFUZSMAF-RCOVLWMOSA-N -1 3 227.210 2.232 20 0 BEADHM CCc1ccccc1CC(=O)[N-]OCC1CC1 ZINC000293784816 386879028 /nfs/dbraw/zinc/87/90/28/386879028.db2.gz OBOUXGSFTHDAJH-UHFFFAOYSA-N -1 3 233.311 2.249 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)CCc1cscn1 ZINC000293793923 386880183 /nfs/dbraw/zinc/88/01/83/386880183.db2.gz SKZFFPWZIYFQOC-SECBINFHSA-N -1 3 242.344 2.170 20 0 BEADHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000335759017 386887915 /nfs/dbraw/zinc/88/79/15/386887915.db2.gz NHRXAVZPUZQITQ-QMMMGPOBSA-N -1 3 248.307 2.340 20 0 BEADHM CCc1ccc(C(=O)NOCC2CC2)c([O-])c1 ZINC000293844838 386888089 /nfs/dbraw/zinc/88/80/89/386888089.db2.gz UKNWKLIQTXJZCK-UHFFFAOYSA-N -1 3 235.283 2.026 20 0 BEADHM CC[C@H](CC(=O)Nc1ccncc1[O-])C(C)C ZINC000330782483 386901822 /nfs/dbraw/zinc/90/18/22/386901822.db2.gz HDEIOHPISMTNLG-SNVBAGLBSA-N -1 3 236.315 2.220 20 0 BEADHM CCCCCN1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000330865746 386905864 /nfs/dbraw/zinc/90/58/64/386905864.db2.gz XLQHNDFZVLUSQB-SNVBAGLBSA-N -1 3 238.335 2.228 20 0 BEADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1C1CC1 ZINC000368005583 386928475 /nfs/dbraw/zinc/92/84/75/386928475.db2.gz KGBUCVZMSLHJIW-LBPRGKRZSA-N -1 3 247.294 2.112 20 0 BEADHM CC[C@@H](C)C[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000334061290 387054182 /nfs/dbraw/zinc/05/41/82/387054182.db2.gz USMAXKXWLKINAL-SFYZADRCSA-N -1 3 242.344 2.403 20 0 BEADHM CC(C)CCC(=O)Nc1ccncc1[O-] ZINC000109891476 387057629 /nfs/dbraw/zinc/05/76/29/387057629.db2.gz GNMCFWQXFHTXNU-UHFFFAOYSA-N -1 3 208.261 2.162 20 0 BEADHM CCN(CC(F)F)C(=O)c1ccccc1[O-] ZINC000185842060 387058037 /nfs/dbraw/zinc/05/80/37/387058037.db2.gz YBRYQEPERPBVEQ-UHFFFAOYSA-N -1 3 229.226 2.119 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H](C)n1cccn1 ZINC000334975833 387061115 /nfs/dbraw/zinc/06/11/15/387061115.db2.gz FNHQQJMKLUIQJU-JTQLQIEISA-N -1 3 245.282 2.097 20 0 BEADHM O=C(Nc1ccccc1[O-])C1CCC(=O)CC1 ZINC000336332085 387158461 /nfs/dbraw/zinc/15/84/61/387158461.db2.gz IJAZDUBHHZPKNE-UHFFFAOYSA-N -1 3 233.267 2.090 20 0 BEADHM C[C@H]1CCC[C@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000193256249 387185463 /nfs/dbraw/zinc/18/54/63/387185463.db2.gz RORSZMPNNXVPKM-UWVGGRQHSA-N -1 3 249.310 2.406 20 0 BEADHM COC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1[O-] ZINC000359912111 387191255 /nfs/dbraw/zinc/19/12/55/387191255.db2.gz MRKUFHZDQFDYOA-VHSXEESVSA-N -1 3 237.299 2.249 20 0 BEADHM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1cccs1 ZINC000352470728 387229266 /nfs/dbraw/zinc/22/92/66/387229266.db2.gz MLSWOZAYPLQCLN-QMMMGPOBSA-N -1 3 245.369 2.073 20 0 BEADHM COc1cc(C(=O)N2[C@@H](C)CC[C@@H]2C)ccc1[O-] ZINC000336405633 387233240 /nfs/dbraw/zinc/23/32/40/387233240.db2.gz NTIDYGUJFLYCIP-UWVGGRQHSA-N -1 3 249.310 2.414 20 0 BEADHM CC(C)(C)c1ncc(C[N-]c2nnco2)s1 ZINC000285216496 387253928 /nfs/dbraw/zinc/25/39/28/387253928.db2.gz ULFHNPYDNPKURW-UHFFFAOYSA-N -1 3 238.316 2.436 20 0 BEADHM Cc1ccc([O-])c(CN(C)Cc2ccc[nH]2)n1 ZINC000354032674 387316018 /nfs/dbraw/zinc/31/60/18/387316018.db2.gz CTWGSEMMNOALJT-UHFFFAOYSA-N -1 3 231.299 2.056 20 0 BEADHM C[C@@H]1CC[C@@H](C)N1Cc1cc(C(=O)[O-])co1 ZINC000514730724 387282206 /nfs/dbraw/zinc/28/22/06/387282206.db2.gz UFSYZJOFCNEEIW-RKDXNWHRSA-N -1 3 223.272 2.351 20 0 BEADHM C[C@H](C(=O)[N-][C@@H](C)C(F)(F)F)C(F)(F)F ZINC000360696007 387338910 /nfs/dbraw/zinc/33/89/10/387338910.db2.gz QWCAPQLKOKASCJ-DMTCNVIQSA-N -1 3 237.143 2.252 20 0 BEADHM Cc1ccc(NC(=O)[C@@]2(C)CCOC2)c([O-])c1 ZINC000336522100 387347074 /nfs/dbraw/zinc/34/70/74/387347074.db2.gz DTFLAIDMXCYMDQ-ZDUSSCGKSA-N -1 3 235.283 2.066 20 0 BEADHM O=C(CC(F)(F)F)[N-][C@H](C1CC1)C(F)(F)F ZINC000360825245 387353293 /nfs/dbraw/zinc/35/32/93/387353293.db2.gz MWRYFGNBZJHVLV-ZCFIWIBFSA-N -1 3 249.154 2.396 20 0 BEADHM O=C(CC(F)(F)F)[N-][C@@H](C1CC1)C(F)(F)F ZINC000360825244 387353843 /nfs/dbraw/zinc/35/38/43/387353843.db2.gz MWRYFGNBZJHVLV-LURJTMIESA-N -1 3 249.154 2.396 20 0 BEADHM CC[C@@H](C)CNC(=O)c1ccc([O-])c(OC)c1 ZINC000421924047 387504892 /nfs/dbraw/zinc/50/48/92/387504892.db2.gz WHZMNLAWFIJZDK-SECBINFHSA-N -1 3 237.299 2.177 20 0 BEADHM CC[C@@H](C)CCC(=O)NCc1ncccc1[O-] ZINC000355440691 387537909 /nfs/dbraw/zinc/53/79/09/387537909.db2.gz GKYGGYFONXSCTJ-SNVBAGLBSA-N -1 3 236.315 2.230 20 0 BEADHM CCn1cc(NC(=O)c2cc(C)ccc2[O-])cn1 ZINC000035238314 387560252 /nfs/dbraw/zinc/56/02/52/387560252.db2.gz IEBHVQDVVANAQM-UHFFFAOYSA-N -1 3 245.282 2.169 20 0 BEADHM CCn1cc(NC(=O)c2ccc(C)cc2[O-])cn1 ZINC000035247292 387560752 /nfs/dbraw/zinc/56/07/52/387560752.db2.gz RIIVZQYXXDGEBE-UHFFFAOYSA-N -1 3 245.282 2.169 20 0 BEADHM CCC(C)(C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448643494 387684407 /nfs/dbraw/zinc/68/44/07/387684407.db2.gz DVTIBKGEWGOAKY-UHFFFAOYSA-N -1 3 239.290 2.379 20 0 BEADHM COC(=O)c1ccc(C(=O)Nc2ccccc2)[n-]1 ZINC000431244112 387694042 /nfs/dbraw/zinc/69/40/42/387694042.db2.gz XNELKQWGRUQTPH-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM O=C([O-])CN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000377395809 387712350 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XRGVLQDDVZJIGY-UHFFFAOYSA-N -1 3 234.221 2.138 20 0 BEADHM CC[C@@H]1C[C@H]1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000448897239 388118255 /nfs/dbraw/zinc/11/82/55/388118255.db2.gz RTQQFTFZEIKGCQ-HTQZYQBOSA-N -1 3 246.270 2.049 20 0 BEADHM CC[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000448897239 388118258 /nfs/dbraw/zinc/11/82/58/388118258.db2.gz RTQQFTFZEIKGCQ-HTQZYQBOSA-N -1 3 246.270 2.049 20 0 BEADHM CC[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000448897239 388118259 /nfs/dbraw/zinc/11/82/59/388118259.db2.gz RTQQFTFZEIKGCQ-HTQZYQBOSA-N -1 3 246.270 2.049 20 0 BEADHM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cccc([O-])c1 ZINC000456913206 388232546 /nfs/dbraw/zinc/23/25/46/388232546.db2.gz XNKGAHOJCZMQKB-AAEUAGOBSA-N -1 3 231.295 2.168 20 0 BEADHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cccs1 ZINC000451806728 388297039 /nfs/dbraw/zinc/29/70/39/388297039.db2.gz FLKPCQVQNRUAHP-BDAKNGLRSA-N -1 3 245.369 2.073 20 0 BEADHM CC1(CCNC(=O)/C=C/c2cncc([O-])c2)CC1 ZINC000491985110 388330550 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/nfs/dbraw/zinc/37/67/15/388376715.db2.gz NVEXCWAHAVFEDU-UHFFFAOYSA-N -1 3 246.314 2.076 20 0 BEADHM CCN(CC(C)C)C(=O)c1cccc2nn[n-]c21 ZINC000164190657 388376717 /nfs/dbraw/zinc/37/67/17/388376717.db2.gz NVEXCWAHAVFEDU-UHFFFAOYSA-N -1 3 246.314 2.076 20 0 BEADHM CCN(CC(C)C)C(=O)c1cccc2n[n-]nc21 ZINC000164190657 388376718 /nfs/dbraw/zinc/37/67/18/388376718.db2.gz NVEXCWAHAVFEDU-UHFFFAOYSA-N -1 3 246.314 2.076 20 0 BEADHM CC(F)(F)CCNC(=O)c1ccccc1[O-] ZINC000294087019 388388776 /nfs/dbraw/zinc/38/87/76/388388776.db2.gz ASWCFHCAQAAGRE-UHFFFAOYSA-N -1 3 229.226 2.167 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H](C)C1CC1 ZINC000649231374 388464319 /nfs/dbraw/zinc/46/43/19/388464319.db2.gz SCQOEJBLSCSKRZ-MRVPVSSYSA-N -1 3 235.331 2.248 20 0 BEADHM CC/C=C/CNC(=O)c1cccc([O-])c1 ZINC000296810010 388426677 /nfs/dbraw/zinc/42/66/77/388426677.db2.gz GIQLYLZNQWJAIW-ONEGZZNKSA-N -1 3 205.257 2.088 20 0 BEADHM COc1ccc(C)cc1/C=C\C(=O)[N-]OC(C)C ZINC000393485654 388431230 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/nfs/dbraw/zinc/57/88/04/388578804.db2.gz LFCNRLWUSFEACC-SSDOTTSWSA-N -1 3 237.221 2.177 20 0 BEADHM O=C([N-]OCC(F)(F)F)[C@@H]1CCCC12CC2 ZINC000528847088 388578829 /nfs/dbraw/zinc/57/88/29/388578829.db2.gz LFCNRLWUSFEACC-ZETCQYMHSA-N -1 3 237.221 2.177 20 0 BEADHM CC(=O)c1[n-]c(=NC2CC=CC2)sc1C ZINC000649300530 388579827 /nfs/dbraw/zinc/57/98/27/388579827.db2.gz PQOPDWULONFVFT-UHFFFAOYSA-N -1 3 222.313 2.207 20 0 BEADHM CCN(C(=O)c1ccc(OC)cc1[O-])C1CC1 ZINC000037023097 388583179 /nfs/dbraw/zinc/58/31/79/388583179.db2.gz WZMXVRPNIJIYBW-UHFFFAOYSA-N -1 3 235.283 2.025 20 0 BEADHM CC(C)CCCNC(=O)c1c([O-])cccc1O ZINC000125644607 388673716 /nfs/dbraw/zinc/67/37/16/388673716.db2.gz GBUSYBIDYODENE-UHFFFAOYSA-N -1 3 237.299 2.264 20 0 BEADHM O=C([O-])c1ccc(F)c2c1CN(CC1CC1)CC2 ZINC000530168399 388619487 /nfs/dbraw/zinc/61/94/87/388619487.db2.gz LNGUJHPUUUILAH-UHFFFAOYSA-N -1 3 249.285 2.292 20 0 BEADHM CCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530168429 388619676 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ZZNJEVIRMXQFGJ-UHFFFAOYSA-N -1 3 248.238 2.031 20 0 BEADHM O=C(NOc1ccccc1F)c1ccccc1[O-] ZINC001651412341 1172951111 /nfs/dbraw/zinc/95/11/11/1172951111.db2.gz HYYIZDGYIJWWNZ-UHFFFAOYSA-N -1 3 247.225 2.255 20 0 BEADHM CC(C)O[N-]C(=O)Cc1cc(F)c(F)cc1F ZINC000295712193 167276503 /nfs/dbraw/zinc/27/65/03/167276503.db2.gz PKZKXOISKOQLMX-UHFFFAOYSA-N -1 3 247.216 2.103 20 0 BEADHM CC(C)ON=C([O-])Nc1c(F)cccc1F ZINC000296110688 167275614 /nfs/dbraw/zinc/27/56/14/167275614.db2.gz GTDHQXRMJMBDJB-UHFFFAOYSA-N -1 3 230.214 2.426 20 0 BEADHM CC(C)O[N-]C(=O)Nc1c(F)cccc1F ZINC000296110688 167275619 /nfs/dbraw/zinc/27/56/19/167275619.db2.gz GTDHQXRMJMBDJB-UHFFFAOYSA-N -1 3 230.214 2.426 20 0 BEADHM CN(CCC1CCCCC1)Cc1n[n-]c(=O)o1 ZINC000660848040 409859248 /nfs/dbraw/zinc/85/92/48/409859248.db2.gz UMOPAOGDLWYHHS-UHFFFAOYSA-N -1 3 239.319 2.177 20 0 BEADHM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(O)cc1[O-] ZINC000655427960 410243201 /nfs/dbraw/zinc/24/32/01/410243201.db2.gz PXMHONBPOCVHES-ZHAHWJHGSA-N -1 3 247.294 2.016 20 0 BEADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cccs1 ZINC000650794280 410442807 /nfs/dbraw/zinc/44/28/07/410442807.db2.gz YSILPPNOGPQBHH-PSASIEDQSA-N -1 3 225.313 2.186 20 0 BEADHM CC(C)ON=C([O-])Nc1nc(C2CC2)cs1 ZINC000296352517 167277175 /nfs/dbraw/zinc/27/71/75/167277175.db2.gz OAFOEBVVEQPDMI-UHFFFAOYSA-N -1 3 241.316 2.482 20 0 BEADHM CC(C)O[N-]C(=O)Nc1nc(C2CC2)cs1 ZINC000296352517 167277176 /nfs/dbraw/zinc/27/71/76/167277176.db2.gz OAFOEBVVEQPDMI-UHFFFAOYSA-N -1 3 241.316 2.482 20 0 BEADHM CC(C)O[N-]C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000295555402 167279297 /nfs/dbraw/zinc/27/92/97/167279297.db2.gz METHFDOGCDQGBG-VXGBXAGGSA-N -1 3 237.274 2.385 20 0 BEADHM CC(C)O[N-]C(=O)c1cc(Cl)ncc1Cl ZINC000294249839 167279841 /nfs/dbraw/zinc/27/98/41/167279841.db2.gz WNTVBRJEMOZHRN-UHFFFAOYSA-N -1 3 249.097 2.458 20 0 BEADHM CC(C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000078768277 167338055 /nfs/dbraw/zinc/33/80/55/167338055.db2.gz PKUBRBXYOHYOSQ-UHFFFAOYSA-N -1 3 220.301 2.367 20 0 BEADHM CC(C)[C@@H](C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000171973986 167354968 /nfs/dbraw/zinc/35/49/68/167354968.db2.gz AZQSFGJRGMGBBV-MRVPVSSYSA-N -1 3 248.286 2.295 20 0 BEADHM CC(C)[C@@H](C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000171973986 167354970 /nfs/dbraw/zinc/35/49/70/167354970.db2.gz AZQSFGJRGMGBBV-MRVPVSSYSA-N -1 3 248.286 2.295 20 0 BEADHM CC(C)[C@@H](C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000171973986 167354972 /nfs/dbraw/zinc/35/49/72/167354972.db2.gz AZQSFGJRGMGBBV-MRVPVSSYSA-N -1 3 248.286 2.295 20 0 BEADHM Cc1ccc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)nc1 ZINC000397493799 410923850 /nfs/dbraw/zinc/92/38/50/410923850.db2.gz NTBPBNGOJDKFAP-RYUDHWBXSA-N -1 3 248.326 2.075 20 0 BEADHM C[C@H](CNCc1c(F)cccc1Cl)C(=O)[O-] ZINC000656094997 411175900 /nfs/dbraw/zinc/17/59/00/411175900.db2.gz FJTFQEWLHVERAB-SSDOTTSWSA-N -1 3 245.681 2.289 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@]2(C)CC2(C)C)o1 ZINC000660049915 411192853 /nfs/dbraw/zinc/19/28/53/411192853.db2.gz YXKCZNJOMHNTIJ-LLVKDONJSA-N -1 3 243.328 2.055 20 0 BEADHM Cc1ccnc(CN(CCC(=O)[O-])CC2CC2)c1 ZINC000652467351 411249359 /nfs/dbraw/zinc/24/93/59/411249359.db2.gz USTZMBOCQGYDNU-UHFFFAOYSA-N -1 3 248.326 2.077 20 0 BEADHM CC[C@H]1CN(C(=O)c2ccccc2[O-])[C@H](C)CO1 ZINC000403839592 411361275 /nfs/dbraw/zinc/36/12/75/411361275.db2.gz COUIBRCTNMFRIU-MNOVXSKESA-N -1 3 249.310 2.032 20 0 BEADHM CC[C@H]1CN(C(=O)c2cccc([O-])c2)[C@H](C)CO1 ZINC000403898117 411365102 /nfs/dbraw/zinc/36/51/02/411365102.db2.gz UKIWXUZTFIQENT-MFKMUULPSA-N -1 3 249.310 2.032 20 0 BEADHM CC1(NC(=O)c2ccc3n[n-]nc3c2)CCCC1 ZINC000299249301 168061924 /nfs/dbraw/zinc/06/19/24/168061924.db2.gz QRZQXQPRZKOIJZ-UHFFFAOYSA-N -1 3 244.298 2.020 20 0 BEADHM CC1=CCCN(C(=O)c2ccccc2[O-])C1 ZINC000230812909 168098329 /nfs/dbraw/zinc/09/83/29/168098329.db2.gz PYGRPIUCQYDZJK-UHFFFAOYSA-N -1 3 217.268 2.184 20 0 BEADHM CC1=C[C@@H](C)CN(C(=O)c2cccc([O-])c2)C1 ZINC000336426511 168123025 /nfs/dbraw/zinc/12/30/25/168123025.db2.gz VNBRFQHHLTYGOA-SNVBAGLBSA-N -1 3 231.295 2.430 20 0 BEADHM Cc1[n-]n(-c2ccncc2)c(=O)c1C(C)C ZINC000104094136 168135411 /nfs/dbraw/zinc/13/54/11/168135411.db2.gz PKHLTQPYLMNUGK-NSHDSACASA-N -1 3 217.272 2.076 20 0 BEADHM CCC(C)(C)C(=O)[N-]OCc1cccnc1 ZINC000155848293 168265747 /nfs/dbraw/zinc/26/57/47/168265747.db2.gz YZOSDMLLIVZCNE-UHFFFAOYSA-N -1 3 222.288 2.066 20 0 BEADHM CCC(C)(C)NC(=O)c1ccc(OC)cc1[O-] ZINC000019836961 168296232 /nfs/dbraw/zinc/29/62/32/168296232.db2.gz WTAHJXJJHBVMQE-UHFFFAOYSA-N -1 3 237.299 2.319 20 0 BEADHM CCC(C)(C)NC(=O)c1cccc(OC)c1[O-] ZINC000019836963 168297479 /nfs/dbraw/zinc/29/74/79/168297479.db2.gz OCPMACKMEMPHNL-UHFFFAOYSA-N -1 3 237.299 2.319 20 0 BEADHM O=C([O-])c1sccc1CN1CC=CCC1 ZINC000306665911 411456554 /nfs/dbraw/zinc/45/65/54/411456554.db2.gz UQKYDKPXMVZYQL-UHFFFAOYSA-N -1 3 223.297 2.208 20 0 BEADHM CC[C@H]([N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000657174158 411415095 /nfs/dbraw/zinc/41/50/95/411415095.db2.gz CGXZZOAAESYALC-VIFPVBQESA-N -1 3 245.369 2.215 20 0 BEADHM Cc1ccc([O-])c(CN[C@@H](C)c2cscn2)n1 ZINC000657599477 411558758 /nfs/dbraw/zinc/55/87/58/411558758.db2.gz HNDYIUIDPAHLJD-VIFPVBQESA-N -1 3 249.339 2.403 20 0 BEADHM CCOCCCC(=O)Nc1c(C)cccc1[O-] ZINC000271387494 170366402 /nfs/dbraw/zinc/36/64/02/170366402.db2.gz UUKMFSBFJAOZHC-UHFFFAOYSA-N -1 3 237.299 2.456 20 0 BEADHM CCc1cc(=O)[n-]c(CN[C@@H](CC)C2CC2)n1 ZINC000661759776 411869386 /nfs/dbraw/zinc/86/93/86/411869386.db2.gz ABDNORSSWUKGOB-NSHDSACASA-N -1 3 235.331 2.023 20 0 BEADHM CC1(C)C[C@@H]([N-]c2nc(C3CCC3)no2)CO1 ZINC000664145346 411871823 /nfs/dbraw/zinc/87/18/23/411871823.db2.gz OGIAYKIWJCIDJK-SECBINFHSA-N -1 3 237.303 2.317 20 0 BEADHM CCc1cc(=O)[n-]c(CNC2(CC(C)C)CC2)n1 ZINC000662072876 411974271 /nfs/dbraw/zinc/97/42/71/411974271.db2.gz VNUDDBBFMPLRHI-UHFFFAOYSA-N -1 3 249.358 2.413 20 0 BEADHM CC[C@@H]1CCN1C(=O)c1cccc(C)c1[O-] ZINC000293946399 171020398 /nfs/dbraw/zinc/02/03/98/171020398.db2.gz ISDKEMVPYBHYDT-SNVBAGLBSA-N -1 3 219.284 2.325 20 0 BEADHM CC[C@@H]1CCN1C(=O)c1ccc([O-])c(C)c1 ZINC000336481268 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/nfs/dbraw/zinc/28/94/58/171289458.db2.gz OYBYDFTVRGVKCH-ZETCQYMHSA-N -1 3 227.264 2.082 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)Nc1cc(C)on1 ZINC000291791640 171289459 /nfs/dbraw/zinc/28/94/59/171289459.db2.gz OYBYDFTVRGVKCH-ZETCQYMHSA-N -1 3 227.264 2.082 20 0 BEADHM CC[C@H](C)CON=C([O-])Nc1cncc(F)c1 ZINC000296929135 171290247 /nfs/dbraw/zinc/29/02/47/171290247.db2.gz ZPRAGFOGMNVYHV-QMMMGPOBSA-N -1 3 241.266 2.320 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)Nc1cncc(F)c1 ZINC000296929135 171290250 /nfs/dbraw/zinc/29/02/50/171290250.db2.gz ZPRAGFOGMNVYHV-QMMMGPOBSA-N -1 3 241.266 2.320 20 0 BEADHM CC[C@H](C)OCC(=O)Nc1ccc(C)cc1[O-] ZINC000128002475 171354789 /nfs/dbraw/zinc/35/47/89/171354789.db2.gz RCJDVNKLBWTRDQ-JTQLQIEISA-N -1 3 237.299 2.454 20 0 BEADHM CSc1ccc([O-])c(C(=O)NC2CC2)c1 ZINC000665124545 412102855 /nfs/dbraw/zinc/10/28/55/412102855.db2.gz UZRVXLHXBQNRRR-UHFFFAOYSA-N -1 3 223.297 2.006 20 0 BEADHM [O-]c1ccc(F)c(CN2CC3(CC3)C2)c1F ZINC000335382917 487622612 /nfs/dbraw/zinc/62/26/12/487622612.db2.gz KXOUYBZHDAZKLE-UHFFFAOYSA-N -1 3 225.238 2.266 20 0 BEADHM CCn1cc(NCc2cc([O-])cc(F)c2)cn1 ZINC000184135722 172184910 /nfs/dbraw/zinc/18/49/10/172184910.db2.gz UTMOPJISWCWGNV-UHFFFAOYSA-N -1 3 235.262 2.360 20 0 BEADHM CCn1nccc1NC(=O)c1cc(C)ccc1[O-] ZINC000336379840 172277682 /nfs/dbraw/zinc/27/76/82/172277682.db2.gz FDMJLQHEHHCGEX-UHFFFAOYSA-N -1 3 245.282 2.169 20 0 BEADHM CN(C(=O)c1cccc([O-])c1)C1CCCC1 ZINC000037022692 172341906 /nfs/dbraw/zinc/34/19/06/172341906.db2.gz NLLKIZQLESKKNO-UHFFFAOYSA-N -1 3 219.284 2.407 20 0 BEADHM CN(C(=O)c1cccc([O-])c1)C1CCC1 ZINC000163678690 172342373 /nfs/dbraw/zinc/34/23/73/172342373.db2.gz QCRPKOXPXHZNPG-UHFFFAOYSA-N -1 3 205.257 2.017 20 0 BEADHM COCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337427288 174058188 /nfs/dbraw/zinc/05/81/88/174058188.db2.gz SSMAYIMDZWVDRJ-UHFFFAOYSA-N -1 3 237.299 2.275 20 0 BEADHM COCC1(C(=O)Nc2ccc(C)cc2[O-])CC1 ZINC000331919614 174090337 /nfs/dbraw/zinc/09/03/37/174090337.db2.gz 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2.465 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H]2C)c1 ZINC000071209731 175157560 /nfs/dbraw/zinc/15/75/60/175157560.db2.gz MSTIHXZJONZYPZ-BXKDBHETSA-N -1 3 249.310 2.319 20 0 BEADHM COc1cccc(C(=O)N(C)CC(C)C)c1[O-] ZINC000037023416 175242476 /nfs/dbraw/zinc/24/24/76/175242476.db2.gz KYUITZVYANHZHO-UHFFFAOYSA-N -1 3 237.299 2.129 20 0 BEADHM COc1cccc(C(=O)NCCC2(C)CC2)c1[O-] ZINC000280146311 175244089 /nfs/dbraw/zinc/24/40/89/175244089.db2.gz WESNVCDKIZJQIA-UHFFFAOYSA-N -1 3 249.310 2.321 20 0 BEADHM COc1cccc(C(=O)N2C[C@@H](C)[C@H](C)C2)c1[O-] ZINC000091439011 175244241 /nfs/dbraw/zinc/24/42/41/175244241.db2.gz AWDPBMLRJZALOU-NXEZZACHSA-N -1 3 249.310 2.129 20 0 BEADHM C[C@@H](c1ccccc1F)N(C)CCC(=O)[O-] ZINC000062015323 176025064 /nfs/dbraw/zinc/02/50/64/176025064.db2.gz SAGXGHMULXVPCU-VIFPVBQESA-N -1 3 225.263 2.293 20 0 BEADHM C[C@@H]1CC=CC[C@H]1C(=O)[N-]OC/C=C/Cl ZINC000291972971 176060051 /nfs/dbraw/zinc/06/00/51/176060051.db2.gz YNWRNXVJWAGYDU-RGGXIFFLSA-N -1 3 229.707 2.389 20 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20 0 BEADHM C[C@@H]1C[C@@H]1CC(=O)Nc1ccccc1[O-] ZINC000334146001 176390717 /nfs/dbraw/zinc/39/07/17/176390717.db2.gz BIXWQTVQJNBZJL-RKDXNWHRSA-N -1 3 205.257 2.377 20 0 BEADHM C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000037912254 177108002 /nfs/dbraw/zinc/10/80/02/177108002.db2.gz MFOJNQMZPMXRQJ-VIFPVBQESA-N -1 3 205.257 2.017 20 0 BEADHM C[C@@H]1C[C@@H](C)N(C(=O)/C=C/c2cncc([O-])c2)C1 ZINC000492400420 224673948 /nfs/dbraw/zinc/67/39/48/224673948.db2.gz QYNFXIJNZAGIRN-YIZUVKHSSA-N -1 3 246.310 2.057 20 0 BEADHM Cc1ccncc1/C=C\C(=O)[N-]OC1CCCC1 ZINC000492526832 226014199 /nfs/dbraw/zinc/01/41/99/226014199.db2.gz BHHHBJWXOGSWLX-SREVYHEPSA-N -1 3 246.310 2.394 20 0 BEADHM Cc1cccc([O-])c1NC(=O)C=Cc1c[nH]cn1 ZINC000492812762 226059376 /nfs/dbraw/zinc/05/93/76/226059376.db2.gz NSPOTIPMJCXYII-AATRIKPKSA-N -1 3 243.266 2.076 20 0 BEADHM Cc1ccc(NC(=O)C=Cc2c[nH]cn2)c([O-])c1 ZINC000492857291 226068045 /nfs/dbraw/zinc/06/80/45/226068045.db2.gz DEKUEQZCUDUIBP-HYXAFXHYSA-N -1 3 243.266 2.076 20 0 BEADHM 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VIUYEHHPNZUMPI-LURJTMIESA-N -1 3 242.102 2.248 20 0 BEADHM CCOC([O-])=NOCCc1ccc(F)c(F)c1 ZINC000496355789 529084405 /nfs/dbraw/zinc/08/44/05/529084405.db2.gz DCUOTDUCXCZUBY-UHFFFAOYSA-N -1 3 245.225 2.185 20 0 BEADHM CCOC(=O)[N-]OCCc1ccc(F)c(F)c1 ZINC000496355789 529084414 /nfs/dbraw/zinc/08/44/14/529084414.db2.gz DCUOTDUCXCZUBY-UHFFFAOYSA-N -1 3 245.225 2.185 20 0 BEADHM Cc1ccsc1CN(CC(=O)[O-])CC1CC1 ZINC000083405028 487907187 /nfs/dbraw/zinc/90/71/87/487907187.db2.gz PVRCIBNFDQTRLR-UHFFFAOYSA-N -1 3 239.340 2.353 20 0 BEADHM CC1(NC(=O)Cc2cncc([O-])c2)CCCCC1 ZINC000667005369 487928150 /nfs/dbraw/zinc/92/81/50/487928150.db2.gz QIXJMPWXGLZZOH-UHFFFAOYSA-N -1 3 248.326 2.169 20 0 BEADHM CC1(C)CCC[C@@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000682394537 487946424 /nfs/dbraw/zinc/94/64/24/487946424.db2.gz HMBILESDMOJUQE-SECBINFHSA-N -1 3 245.330 2.107 20 0 BEADHM COCCC(=O)Nc1c([O-])cccc1Cl ZINC000560821869 322992688 /nfs/dbraw/zinc/99/26/88/322992688.db2.gz QUTYKHVLHIQNSQ-UHFFFAOYSA-N -1 3 229.663 2.021 20 0 BEADHM Cc1cccc(NC(=O)Cc2cncc([O-])c2)c1 ZINC000561052674 322994491 /nfs/dbraw/zinc/99/44/91/322994491.db2.gz SZSIXAVDSFCPIV-UHFFFAOYSA-N -1 3 242.278 2.277 20 0 BEADHM O=C([O-])c1cccc2c1CCN(CC1CC1)C2 ZINC000128577927 323007361 /nfs/dbraw/zinc/00/73/61/323007361.db2.gz YAJWHSAMWLIXMJ-UHFFFAOYSA-N -1 3 231.295 2.153 20 0 BEADHM CN(CCC1CC1)Cc1ncccc1[O-] ZINC000561950533 323009174 /nfs/dbraw/zinc/00/91/74/323009174.db2.gz GFUDKURFRKJNBF-UHFFFAOYSA-N -1 3 206.289 2.019 20 0 BEADHM O=c1cc(C=Cc2csnn2)nc(C2CC2)[n-]1 ZINC000562288568 323014989 /nfs/dbraw/zinc/01/49/89/323014989.db2.gz LTZOBQOYKQTTFT-ONEGZZNKSA-N -1 3 246.295 2.082 20 0 BEADHM CC1(C)CCCC[C@@H]1C(=O)Nc1ccncc1[O-] ZINC000562495495 323021903 /nfs/dbraw/zinc/02/19/03/323021903.db2.gz NOKWYIRASNZRHY-SNVBAGLBSA-N -1 3 248.326 2.364 20 0 BEADHM O=C([O-])c1coc(CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC000159992388 323057149 /nfs/dbraw/zinc/05/71/49/323057149.db2.gz XDTDAYJGOCFRBG-UWVGGRQHSA-N -1 3 235.283 2.210 20 0 BEADHM C[C@@H]1CCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000565308863 323084068 /nfs/dbraw/zinc/08/40/68/323084068.db2.gz DFKSJKSJFOUDCL-MRVPVSSYSA-N -1 3 225.313 2.288 20 0 BEADHM O=C(NCCC(F)(F)F)c1ccccc1[O-] ZINC000063101306 323099089 /nfs/dbraw/zinc/09/90/89/323099089.db2.gz QQYJZMDHUADSEO-UHFFFAOYSA-N -1 3 233.189 2.074 20 0 BEADHM Cc1cccc(C(=O)NCCC(F)(F)F)c1[O-] ZINC000063101315 323099099 /nfs/dbraw/zinc/09/90/99/323099099.db2.gz GEKPOWUBVXRURI-UHFFFAOYSA-N -1 3 247.216 2.383 20 0 BEADHM CCc1cccc(C(=O)N2CCCC2)c1[O-] ZINC000537649780 324093507 /nfs/dbraw/zinc/09/35/07/324093507.db2.gz BNBKWLWQQMPOBE-UHFFFAOYSA-N -1 3 219.284 2.191 20 0 BEADHM C[C@@H]1[C@H](C(=O)Nc2ncccc2[O-])[C@H]1C1CC1 ZINC000529007330 324230713 /nfs/dbraw/zinc/23/07/13/324230713.db2.gz CWKJNADPERBWNB-XROYCOCOSA-N -1 3 232.283 2.018 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H]2[C@H](C)[C@H]2C2CC2)n1 ZINC000529203193 324259725 /nfs/dbraw/zinc/25/97/25/324259725.db2.gz NLHIKMYISVJFHN-JFUSQASVSA-N -1 3 246.310 2.326 20 0 BEADHM C[C@@H](CC(=O)[N-]OC1CCC1)c1ccco1 ZINC000529444236 324299884 /nfs/dbraw/zinc/29/98/84/324299884.db2.gz LFWLMFKQKLNQKT-VIFPVBQESA-N -1 3 223.272 2.374 20 0 BEADHM CCCO[N-]C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000529509779 324319016 /nfs/dbraw/zinc/31/90/16/324319016.db2.gz UMMUJWRDABRBLK-VHSXEESVSA-N -1 3 225.313 2.309 20 0 BEADHM Cc1cccc(C(=O)NCC2CC=CC2)c1[O-] ZINC000529713782 324388640 /nfs/dbraw/zinc/38/86/40/324388640.db2.gz ZEPNYUXWUFUQHS-UHFFFAOYSA-N -1 3 231.295 2.397 20 0 BEADHM O=C(Nc1ncccc1[O-])c1ccncc1Cl ZINC000072700258 325167019 /nfs/dbraw/zinc/16/70/19/325167019.db2.gz FFVYLSLCCWWBLV-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM CC(C)(C)CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000073973517 325220902 /nfs/dbraw/zinc/22/09/02/325220902.db2.gz VQDJDBGMSUHDKB-UHFFFAOYSA-N -1 3 248.286 2.439 20 0 BEADHM CC(C)(C)CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000073973517 325220907 /nfs/dbraw/zinc/22/09/07/325220907.db2.gz VQDJDBGMSUHDKB-UHFFFAOYSA-N -1 3 248.286 2.439 20 0 BEADHM CC(C)(C)CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973517 325220912 /nfs/dbraw/zinc/22/09/12/325220912.db2.gz VQDJDBGMSUHDKB-UHFFFAOYSA-N -1 3 248.286 2.439 20 0 BEADHM O=S(=O)([N-]c1cccc2ccncc21)C1CC1 ZINC000545827351 325239486 /nfs/dbraw/zinc/23/94/86/325239486.db2.gz KENKNZIPRHNLCX-UHFFFAOYSA-N -1 3 248.307 2.139 20 0 BEADHM Cc1occc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000133221891 325278493 /nfs/dbraw/zinc/27/84/93/325278493.db2.gz UOUQMUUXFVEXGP-UHFFFAOYSA-N -1 3 249.241 2.363 20 0 BEADHM Cc1noc([N-]Cc2csc(C3CC3)n2)n1 ZINC000133985729 325336240 /nfs/dbraw/zinc/33/62/40/325336240.db2.gz SSPUOPZNQXHJMB-UHFFFAOYSA-N -1 3 236.300 2.324 20 0 BEADHM CCO[N-]C(=O)/C=C/c1ccc2ccccc2n1 ZINC000078557756 325422254 /nfs/dbraw/zinc/42/22/54/325422254.db2.gz GDSBUNSESGUGQY-MDZDMXLPSA-N -1 3 242.278 2.316 20 0 BEADHM O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccccc1[O-] ZINC000566263232 326025974 /nfs/dbraw/zinc/02/59/74/326025974.db2.gz ZTMQGERADWMARU-NXEZZACHSA-N -1 3 237.274 2.403 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2C2CCC2)c1C ZINC000566405129 326040276 /nfs/dbraw/zinc/04/02/76/326040276.db2.gz XGDMRAYODFFZLE-WDEREUQCSA-N -1 3 247.342 2.077 20 0 BEADHM Cc1[nH]c(=O)ccc1C(=O)Nc1ccccc1[O-] ZINC000155877668 326213861 /nfs/dbraw/zinc/21/38/61/326213861.db2.gz PLCRGPNRGONEGV-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM CCc1ccc(C(=O)N2CC(F)(F)C2)c([O-])c1 ZINC000682528364 487977173 /nfs/dbraw/zinc/97/71/73/487977173.db2.gz YNTQGPTWTGDPQH-UHFFFAOYSA-N -1 3 241.237 2.046 20 0 BEADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1cnoc1 ZINC000682797883 488041700 /nfs/dbraw/zinc/04/17/00/488041700.db2.gz LZLGYQGTKGQBSW-UHFFFAOYSA-N -1 3 247.254 2.176 20 0 BEADHM O=C([O-])CCCCNCc1ccc(F)cc1F ZINC000236417660 488059847 /nfs/dbraw/zinc/05/98/47/488059847.db2.gz JJDMCALABDLSNJ-UHFFFAOYSA-N -1 3 243.253 2.309 20 0 BEADHM CCc1n[nH]cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000677590685 488081579 /nfs/dbraw/zinc/08/15/79/488081579.db2.gz BHNWQVLZMUDNRJ-UHFFFAOYSA-N -1 3 249.245 2.069 20 0 BEADHM Cc1csc(S(=O)(=O)[N-]CCC2CC2)c1 ZINC000451266575 488082322 /nfs/dbraw/zinc/08/23/22/488082322.db2.gz MOSXACKBNZAQRV-UHFFFAOYSA-N -1 3 245.369 2.135 20 0 BEADHM C[C@@H]1CC[C@@H](C)N1Cc1ccc(C(=O)[O-])o1 ZINC000516777837 488107172 /nfs/dbraw/zinc/10/71/72/488107172.db2.gz SFBYNDDCYLXPHX-RKDXNWHRSA-N -1 3 223.272 2.351 20 0 BEADHM COc1ccc(NCc2nc(C)ccc2[O-])nc1 ZINC000676201560 487821230 /nfs/dbraw/zinc/82/12/30/487821230.db2.gz YVSLBIFLFWOZBY-UHFFFAOYSA-N -1 3 245.282 2.111 20 0 BEADHM Cc1cnc(NCc2ccc([O-])c(F)c2)nc1 ZINC000677506710 488057554 /nfs/dbraw/zinc/05/75/54/488057554.db2.gz FBHJBRWFSSWTKL-UHFFFAOYSA-N -1 3 233.246 2.242 20 0 BEADHM CC[C@H](C)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000227029825 488194903 /nfs/dbraw/zinc/19/49/03/488194903.db2.gz FMYCSJWRUWPSRI-GWCFXTLKSA-N -1 3 233.311 2.469 20 0 BEADHM CCCc1csc([N-]C(=O)c2cnco2)n1 ZINC000678108475 488198080 /nfs/dbraw/zinc/19/80/80/488198080.db2.gz ZJBLYAAKPWDCHE-UHFFFAOYSA-N -1 3 237.284 2.336 20 0 BEADHM COc1cccc(C(=O)N2CCC[C@@H]3C[C@@H]32)c1[O-] ZINC000672124008 488238152 /nfs/dbraw/zinc/23/81/52/488238152.db2.gz WWBQNZIOPNULMN-KOLCDFICSA-N -1 3 247.294 2.025 20 0 BEADHM COc1ccc(C(=O)N2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC000672129663 488239050 /nfs/dbraw/zinc/23/90/50/488239050.db2.gz ZNMSONQDKQQDIN-JOYOIKCWSA-N -1 3 247.294 2.025 20 0 BEADHM O=C([O-])CC[C@H]1CCCN(Cc2ccccn2)C1 ZINC000043585348 488289843 /nfs/dbraw/zinc/28/98/43/488289843.db2.gz WNZRTRWLJJXXET-GFCCVEGCSA-N -1 3 248.326 2.158 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2CC(C)(F)C2)c1 ZINC000684325412 488290612 /nfs/dbraw/zinc/29/06/12/488290612.db2.gz WFELYXYZVLZKHH-UHFFFAOYSA-N -1 3 237.274 2.139 20 0 BEADHM O=C([N-]c1cnoc1)c1ccoc1C1CC1 ZINC000684897703 488350892 /nfs/dbraw/zinc/35/08/92/488350892.db2.gz LNERAHICNWYIFU-UHFFFAOYSA-N -1 3 218.212 2.397 20 0 BEADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])C1CCC1 ZINC000125954043 490475195 /nfs/dbraw/zinc/47/51/95/490475195.db2.gz HPMBKNZSRQAPGY-QMMMGPOBSA-N -1 3 235.283 2.016 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]3C[C@H]32)c1 ZINC000672124115 491123543 /nfs/dbraw/zinc/12/35/43/491123543.db2.gz YDALJSHNRFUFMC-CMPLNLGQSA-N -1 3 231.295 2.325 20 0 BEADHM c1nnc([N-]Cc2nc3c(s2)CCCC3)o1 ZINC000309417597 491148961 /nfs/dbraw/zinc/14/89/61/491148961.db2.gz ZBWLGHBARLRVEI-UHFFFAOYSA-N -1 3 236.300 2.017 20 0 BEADHM Cc1nc(NC[C@H]2CC2(Cl)Cl)cc(=O)[n-]1 ZINC000891533378 582695336 /nfs/dbraw/zinc/69/53/36/582695336.db2.gz YCDKXFMUSSVXHT-ZCFIWIBFSA-N -1 3 248.113 2.096 20 0 BEADHM Cn1ccc(/C=C/C(=O)Nc2ccccc2[O-])c1 ZINC000493247748 534762965 /nfs/dbraw/zinc/76/29/65/534762965.db2.gz DSWKCZOGGXDSDL-VOTSOKGWSA-N -1 3 242.278 2.383 20 0 BEADHM Cn1ccc(/C=C\C(=O)[N-]OC2CCCCC2)c1 ZINC000493333182 534766164 /nfs/dbraw/zinc/76/61/64/534766164.db2.gz HRHKEAVYQVTGRG-FPLPWBNLSA-N -1 3 248.326 2.419 20 0 BEADHM CC(C)C(C)(C)NC(=O)/C=C\c1cncc([O-])c1 ZINC000493137083 527573234 /nfs/dbraw/zinc/57/32/34/527573234.db2.gz ZUPIVVQLLLVWNS-WAYWQWQTSA-N -1 3 248.326 2.351 20 0 BEADHM C/C=C/C=C\C(=O)Nc1nc(C)ccc1[O-] ZINC000493799671 527614520 /nfs/dbraw/zinc/61/45/20/527614520.db2.gz YWFHEECJIWVAAL-ICWBMWKASA-N -1 3 218.256 2.166 20 0 BEADHM CCC[C@@H]1C[C@H]1NC(=O)/C=C/c1cncc([O-])c1 ZINC000493217501 527851632 /nfs/dbraw/zinc/85/16/32/527851632.db2.gz JVLIUCCFKUEBAA-WPCUQIPDSA-N -1 3 246.310 2.105 20 0 BEADHM CCC[C@H](C)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000492515979 528040619 /nfs/dbraw/zinc/04/06/19/528040619.db2.gz AARKINHPRBASRX-ZADCQDASSA-N -1 3 248.326 2.447 20 0 BEADHM CC(C)O[N-]C(=O)/C=C\SCc1ccco1 ZINC000493451215 528043979 /nfs/dbraw/zinc/04/39/79/528043979.db2.gz KRKKRDNTJFWIDF-ALCCZGGFSA-N -1 3 241.312 2.483 20 0 BEADHM CC(C)C[C@@H](C)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492524017 528258820 /nfs/dbraw/zinc/25/88/20/528258820.db2.gz ZESDEUXPIZVIPL-DOGVGXBMSA-N -1 3 248.326 2.351 20 0 BEADHM CCN(CC1CC1)C(=O)/C=C\c1cncc([O-])c1 ZINC000492520322 528320168 /nfs/dbraw/zinc/32/01/68/528320168.db2.gz MQHFMNWQEPSUSH-WAYWQWQTSA-N -1 3 246.310 2.059 20 0 BEADHM CC(C)C[C@H](C)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492524018 528467801 /nfs/dbraw/zinc/46/78/01/528467801.db2.gz ZESDEUXPIZVIPL-WYGGZMRJSA-N -1 3 248.326 2.351 20 0 BEADHM CC[C@H]1CCCN1C(=O)/C=C\c1cncc([O-])c1 ZINC000492476182 529218284 /nfs/dbraw/zinc/21/82/84/529218284.db2.gz SKJNQCWPYCKZIG-FJOGCWAESA-N -1 3 246.310 2.201 20 0 BEADHM CC(C)n1cnc(C(=O)Nc2ccccc2[O-])c1 ZINC000335679724 535101515 /nfs/dbraw/zinc/10/15/15/535101515.db2.gz YIDQXEKIASWPSX-UHFFFAOYSA-N -1 3 245.282 2.422 20 0 BEADHM CCn1nccc1NC(=O)c1ccc(C)cc1[O-] ZINC000335400214 535886263 /nfs/dbraw/zinc/88/62/63/535886263.db2.gz NOLYWZBISYGLLB-UHFFFAOYSA-N -1 3 245.282 2.169 20 0 BEADHM COc1ccc(NC(=O)Cc2ccco2)c([O-])c1 ZINC000442697310 537826409 /nfs/dbraw/zinc/82/64/09/537826409.db2.gz YFPCFEXSJNARST-UHFFFAOYSA-N -1 3 247.250 2.175 20 0 BEADHM C[C@H](N[C@@H](C)c1cccc(F)c1F)C(=O)[O-] ZINC000223940614 583182829 /nfs/dbraw/zinc/18/28/29/583182829.db2.gz KJLWLPRKJOUFCL-BQBZGAKWSA-N -1 3 229.226 2.089 20 0 BEADHM C[C@@H]1C[C@H](O)CN1Cc1cc([O-])cc(Cl)c1 ZINC000893949089 583258632 /nfs/dbraw/zinc/25/86/32/583258632.db2.gz JPEWGYXZNZVBOL-PELKAZGASA-N -1 3 241.718 2.001 20 0 BEADHM CC(=O)[N-]OCc1cccc(C(C)C)c1 ZINC000853661131 588753509 /nfs/dbraw/zinc/75/35/09/588753509.db2.gz JMQBYIHYGSWLFR-UHFFFAOYSA-N -1 3 207.273 2.378 20 0 BEADHM CCc1nc(C)c(CO[N-]C(=O)C(C)(C)C)o1 ZINC000853664135 588753741 /nfs/dbraw/zinc/75/37/41/588753741.db2.gz IJXCVSWKXOBKEM-UHFFFAOYSA-N -1 3 240.303 2.139 20 0 BEADHM CC(C)(C)C(=O)[N-]OCc1csc(Cl)n1 ZINC000853664426 588753865 /nfs/dbraw/zinc/75/38/65/588753865.db2.gz PAHPOLFYKSHKGQ-UHFFFAOYSA-N -1 3 248.735 2.390 20 0 BEADHM Cc1cc(C(=O)OCCOC(F)F)ccc1[O-] ZINC000853909970 588768594 /nfs/dbraw/zinc/76/85/94/588768594.db2.gz DKRWRIVXTYDIAO-UHFFFAOYSA-N -1 3 246.209 2.097 20 0 BEADHM CC1(CC(=O)[N-]Oc2ccccc2)CC1 ZINC000854535945 588791182 /nfs/dbraw/zinc/79/11/82/588791182.db2.gz BIBFDCWKEGZUTL-UHFFFAOYSA-N -1 3 205.257 2.287 20 0 BEADHM C[C@@H](CC(=O)[N-]OCCC1CC1)[C@H]1CCCO1 ZINC000854639021 588798649 /nfs/dbraw/zinc/79/86/49/588798649.db2.gz LQZHNLQOVCOCOY-CMPLNLGQSA-N -1 3 241.331 2.040 20 0 BEADHM C/C(=C\C(=O)[N-]OCC1CC1)c1ccco1 ZINC000854638947 588798709 /nfs/dbraw/zinc/79/87/09/588798709.db2.gz KUBUVGZTQULAGL-VQHVLOKHSA-N -1 3 221.256 2.141 20 0 BEADHM Cc1cc(F)c(C(=O)[N-]OCC2CC2)c(F)c1 ZINC000854639787 588798753 /nfs/dbraw/zinc/79/87/53/588798753.db2.gz FVOKKOZDVWCXRI-UHFFFAOYSA-N -1 3 241.237 2.345 20 0 BEADHM C[C@@H]1CC=CC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000890771820 582553280 /nfs/dbraw/zinc/55/32/80/582553280.db2.gz LGZQMJHMVDWPFD-ZWNOBZJWSA-N -1 3 231.295 2.477 20 0 BEADHM CC(C)OCCO[N-]C(=O)[C@H]1C[C@]1(C)C(C)C ZINC000812803296 582567071 /nfs/dbraw/zinc/56/70/71/582567071.db2.gz AYXCPZMMNXBKEN-DGCLKSJQSA-N -1 3 243.347 2.141 20 0 BEADHM CCCO[N-]C(=O)c1c(F)ccc(F)c1OC ZINC000844086308 582569762 /nfs/dbraw/zinc/56/97/62/582569762.db2.gz YCQPNYZDDRTAKY-UHFFFAOYSA-N -1 3 245.225 2.045 20 0 BEADHM CCc1cc(C(=O)NC/C=C/Cl)ccc1[O-] ZINC000891201798 582628017 /nfs/dbraw/zinc/62/80/17/582628017.db2.gz ZAGPWASLCDDTJH-ZZXKWVIFSA-N -1 3 239.702 2.437 20 0 BEADHM CC1(C)C[C@@]1(C)[N-]C(=O)C(F)(F)C(F)F ZINC000856134055 588862370 /nfs/dbraw/zinc/86/23/70/588862370.db2.gz GWNNQAANECZBGA-MRVPVSSYSA-N -1 3 227.201 2.192 20 0 BEADHM Cc1ccccc1C(F)(F)C[N-]C(=O)C(F)F ZINC000856157903 588863029 /nfs/dbraw/zinc/86/30/29/588863029.db2.gz ULKAYIOPAIEIJQ-UHFFFAOYSA-N -1 3 249.207 2.468 20 0 BEADHM C[C@@H]1c2ccccc2CCN1c1cc(=O)[n-]cn1 ZINC000892803027 582985030 /nfs/dbraw/zinc/98/50/30/582985030.db2.gz WTHGPDLVVAUPGJ-SNVBAGLBSA-N -1 3 241.294 2.306 20 0 BEADHM CCc1cc(C(=O)NOCC2CCC2)ccc1[O-] ZINC000856351209 588869989 /nfs/dbraw/zinc/86/99/89/588869989.db2.gz CSDUSGAOFLPETG-UHFFFAOYSA-N -1 3 249.310 2.416 20 0 BEADHM CC(C)(C)C[C@H](O)CC(=O)[N-]OCC1CCC1 ZINC000856351913 588870199 /nfs/dbraw/zinc/87/01/99/588870199.db2.gz PXKIENGYVMWYHT-LLVKDONJSA-N -1 3 243.347 2.022 20 0 BEADHM Cc1nc(NC[C@@H](C)c2ccncc2)cc(=O)[n-]1 ZINC000892837584 582992874 /nfs/dbraw/zinc/99/28/74/582992874.db2.gz XMLYSFMWCMMNBI-SECBINFHSA-N -1 3 244.298 2.101 20 0 BEADHM CC(C)[C@H](F)C(=O)Nc1ccccc1[O-] ZINC000784357063 583011753 /nfs/dbraw/zinc/01/17/53/583011753.db2.gz YXVNSPLMIJLQNT-JTQLQIEISA-N -1 3 211.236 2.325 20 0 BEADHM CCO[N-]C(=O)/C=C(/C)c1cccs1 ZINC000856765988 588876353 /nfs/dbraw/zinc/87/63/53/588876353.db2.gz PBYDGGOCZZSNRF-FPLPWBNLSA-N -1 3 211.286 2.219 20 0 BEADHM O=C(Cc1ccccc1F)[N-]OCC1CCC1 ZINC000856341961 588868023 /nfs/dbraw/zinc/86/80/23/588868023.db2.gz CGFQYMGNFNYISN-UHFFFAOYSA-N -1 3 237.274 2.216 20 0 BEADHM CCO[C@H](CC(=O)[N-]OCC1CCC1)C(C)C ZINC000856348024 588869029 /nfs/dbraw/zinc/86/90/29/588869029.db2.gz MNKXTBUFANCGGT-GFCCVEGCSA-N -1 3 243.347 2.286 20 0 BEADHM C[C@H]1CC[C@@H](CCC(=O)[N-]OCC2CCC2)O1 ZINC000856347768 588869061 /nfs/dbraw/zinc/86/90/61/588869061.db2.gz BLFLXVFBBWNDRF-JQWIXIFHSA-N -1 3 241.331 2.182 20 0 BEADHM CC(=O)C(C)(C)CCC(=O)[N-]OCC1CCC1 ZINC000856348958 588869441 /nfs/dbraw/zinc/86/94/41/588869441.db2.gz VZQCSSJBYXVNDQ-UHFFFAOYSA-N -1 3 241.331 2.230 20 0 BEADHM Cc1nc(NCC2(C(F)(F)F)CC2)cc(=O)[n-]1 ZINC000893836695 583229022 /nfs/dbraw/zinc/22/90/22/583229022.db2.gz SVSSLRHMJMLOIA-UHFFFAOYSA-N -1 3 247.220 2.245 20 0 BEADHM Cc1nc(N2CCC[C@H](C3CC3)C2)cc(=O)[n-]1 ZINC000893886555 583241490 /nfs/dbraw/zinc/24/14/90/583241490.db2.gz VYIMBEDSFKWNHX-NSHDSACASA-N -1 3 233.315 2.117 20 0 BEADHM C[C@H]1C[C@H](O)CN1Cc1cc([O-])cc(Cl)c1 ZINC000893949092 583259294 /nfs/dbraw/zinc/25/92/94/583259294.db2.gz JPEWGYXZNZVBOL-UFBFGSQYSA-N -1 3 241.718 2.001 20 0 BEADHM O=C([N-]Cc1cscc1Cl)C(F)F ZINC000894168330 583324491 /nfs/dbraw/zinc/32/44/91/583324491.db2.gz QUEBREMGIQLXON-UHFFFAOYSA-N -1 3 225.647 2.283 20 0 BEADHM O=c1cc(NCCC2CC(F)(F)C2)nc[n-]1 ZINC000894140489 583316215 /nfs/dbraw/zinc/31/62/15/583316215.db2.gz RBBZGGZCAPDBCB-UHFFFAOYSA-N -1 3 229.230 2.030 20 0 BEADHM Cc1cc(C(=O)[N-]c2nc(CC(C)C)co2)on1 ZINC000894445112 583461312 /nfs/dbraw/zinc/46/13/12/583461312.db2.gz MPENOHMHVMEHMT-UHFFFAOYSA-N -1 3 249.270 2.422 20 0 BEADHM Cc1nc(NC[C@@H]2C[C@H]2C(F)(F)F)cc(=O)[n-]1 ZINC000896088150 583769406 /nfs/dbraw/zinc/76/94/06/583769406.db2.gz OZAZEOQHPMHSKL-NKWVEPMBSA-N -1 3 247.220 2.101 20 0 BEADHM CC(C)(C)c1coc(CNc2cc(=O)[n-]cn2)n1 ZINC000897172310 583889395 /nfs/dbraw/zinc/88/93/95/583889395.db2.gz DHIZPXQDALTYAG-UHFFFAOYSA-N -1 3 248.286 2.080 20 0 BEADHM O=C(OCC1CC1)c1cc(-c2ccco2)n[n-]1 ZINC000728766058 583907389 /nfs/dbraw/zinc/90/73/89/583907389.db2.gz HWLUNJCLYUOUTO-UHFFFAOYSA-N -1 3 232.239 2.237 20 0 BEADHM O=C(OCC1CC1)c1cc(-c2ccco2)[n-]n1 ZINC000728766058 583907390 /nfs/dbraw/zinc/90/73/90/583907390.db2.gz HWLUNJCLYUOUTO-UHFFFAOYSA-N -1 3 232.239 2.237 20 0 BEADHM CCO[N-]C(=O)CC1CCC(F)(F)CC1 ZINC000858263078 588941482 /nfs/dbraw/zinc/94/14/82/588941482.db2.gz VICYRSUPERTJEZ-UHFFFAOYSA-N -1 3 221.247 2.270 20 0 BEADHM [O-]c1cncc(CNC[C@H]2CC2(Cl)Cl)c1 ZINC000897315738 583919018 /nfs/dbraw/zinc/91/90/18/583919018.db2.gz QGSHRDKSWNPCAQ-MRVPVSSYSA-N -1 3 247.125 2.071 20 0 BEADHM CCC1(C(=O)[N-]OC[C@H]2CCOC2)CCCC1 ZINC000788273282 583945340 /nfs/dbraw/zinc/94/53/40/583945340.db2.gz JISRRWOFOHKNPK-NSHDSACASA-N -1 3 241.331 2.041 20 0 BEADHM C[C@@H](N[C@@H]1CO[C@H](C)C1)c1cccc([O-])c1F ZINC000872082672 583945508 /nfs/dbraw/zinc/94/55/08/583945508.db2.gz ZLYIZBQBHWQAKV-BBBLOLIVSA-N -1 3 239.290 2.359 20 0 BEADHM C[C@@H](N[C@H]1C[C@@](C)(O)C1)c1cccc([O-])c1F ZINC000872080957 583945518 /nfs/dbraw/zinc/94/55/18/583945518.db2.gz UWVHEQDIHAMTFA-KKFJDGPESA-N -1 3 239.290 2.095 20 0 BEADHM C[C@H](N[C@H]1C[C@@](C)(O)C1)c1cccc([O-])c1F ZINC000872080959 583945563 /nfs/dbraw/zinc/94/55/63/583945563.db2.gz UWVHEQDIHAMTFA-MWODSPESSA-N -1 3 239.290 2.095 20 0 BEADHM O=C([N-]OCCC(F)(F)F)C1(C2CC2)CC1 ZINC000897458262 583988140 /nfs/dbraw/zinc/98/81/40/583988140.db2.gz VVMUYDDAHCPVDQ-UHFFFAOYSA-N -1 3 237.221 2.177 20 0 BEADHM O=C([N-]OC1CCC1)c1cncc(F)c1Cl ZINC000897811633 584046699 /nfs/dbraw/zinc/04/66/99/584046699.db2.gz IAGMFYHOCKRPMY-UHFFFAOYSA-N -1 3 244.653 2.088 20 0 BEADHM CC[C@@H](C)C(=O)[N-]Oc1ccc(F)cc1 ZINC000898572382 584142613 /nfs/dbraw/zinc/14/26/13/584142613.db2.gz WCPOISZNMYUEQF-MRVPVSSYSA-N -1 3 211.236 2.282 20 0 BEADHM O=C([N-]OCC1CCC1)C1(C2CC2)CC1 ZINC000898988497 584168314 /nfs/dbraw/zinc/16/83/14/584168314.db2.gz YFSZKSYMFKUBBJ-UHFFFAOYSA-N -1 3 209.289 2.025 20 0 BEADHM Cc1[n-]n(CCc2ccccn2)c(=O)c1C(C)C ZINC000899353212 584200510 /nfs/dbraw/zinc/20/05/10/584200510.db2.gz WGMSQKRIAPZIFK-ZDUSSCGKSA-N -1 3 245.326 2.114 20 0 BEADHM Cc1[n-]n(C23CC(C2)C3)c(=O)c1C(C)C ZINC000899356442 584200559 /nfs/dbraw/zinc/20/05/59/584200559.db2.gz ZKGFGVLMVJFGPD-SQLBVSGCSA-N -1 3 206.289 2.029 20 0 BEADHM Cc1[n-]n(C[C@@H]2CCSC2)c(=O)c1C(C)C ZINC000899354769 584201740 /nfs/dbraw/zinc/20/17/40/584201740.db2.gz JPBGXGCUZRWBAK-QWRGUYRKSA-N -1 3 240.372 2.230 20 0 BEADHM Cc1[n-]n(-c2ccncc2F)c(=O)c1C(C)C ZINC000899355601 584201750 /nfs/dbraw/zinc/20/17/50/584201750.db2.gz BINACJXBEKOSBY-LLVKDONJSA-N -1 3 235.262 2.215 20 0 BEADHM Cc1[n-]n([C@@H]2CCOC2(C)C)c(=O)c1C(C)C ZINC000899356958 584205937 /nfs/dbraw/zinc/20/59/37/584205937.db2.gz XZVASJMETRNFRD-MNOVXSKESA-N -1 3 238.331 2.044 20 0 BEADHM CCn1cc(C=Cc2nc(C)cc(=O)[n-]2)c(C)n1 ZINC000899372874 584208155 /nfs/dbraw/zinc/20/81/55/584208155.db2.gz YKCQAIGWKCYJGT-WAYWQWQTSA-N -1 3 244.298 2.186 20 0 BEADHM Cc1nc(C(=O)[N-]c2noc3c2CCCC3)co1 ZINC000900779636 584350072 /nfs/dbraw/zinc/35/00/72/584350072.db2.gz IKHXGRJLFSDJPL-UHFFFAOYSA-N -1 3 247.254 2.102 20 0 BEADHM O=C([O-])CC1(NCc2ccccc2Cl)CC1 ZINC000901479298 584449020 /nfs/dbraw/zinc/44/90/20/584449020.db2.gz FDGNGQUWNYWXNH-UHFFFAOYSA-N -1 3 239.702 2.437 20 0 BEADHM C[C@H]1C[C@@H]1c1ccc(CNC2(CC(=O)[O-])CC2)o1 ZINC000901480440 584449271 /nfs/dbraw/zinc/44/92/71/584449271.db2.gz OMEGVUKINICMQX-ONGXEEELSA-N -1 3 249.310 2.500 20 0 BEADHM CCN(CCC(=O)[O-])Cc1cc(C)oc1C ZINC000901604882 584468826 /nfs/dbraw/zinc/46/88/26/584468826.db2.gz AFWFNDBPCVVLGM-UHFFFAOYSA-N -1 3 225.288 2.193 20 0 BEADHM CC[C@@H](C)C[C@H](NCc1ccns1)C(=O)[O-] ZINC000901675652 584476044 /nfs/dbraw/zinc/47/60/44/584476044.db2.gz NKGZONJKGSRANO-SCZZXKLOSA-N -1 3 242.344 2.122 20 0 BEADHM CSc1ccc(CNC(C)(C)CC(=O)[O-])o1 ZINC000901682007 584480321 /nfs/dbraw/zinc/48/03/21/584480321.db2.gz QGWCOGMEAFCELP-UHFFFAOYSA-N -1 3 243.328 2.344 20 0 BEADHM Cc1occc1CNC1(CC(=O)[O-])CCC1 ZINC000901708633 584486479 /nfs/dbraw/zinc/48/64/79/584486479.db2.gz XNYXWPZFFKFTSV-UHFFFAOYSA-N -1 3 223.272 2.075 20 0 BEADHM C[C@]1(C(=O)[O-])CCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000901732572 584490891 /nfs/dbraw/zinc/49/08/91/584490891.db2.gz JJHRVIKHKMIXDR-OCCSQVGLSA-N -1 3 249.310 2.125 20 0 BEADHM CC[C@@H]1CC[C@@H]1NCc1cc(C(=O)[O-])co1 ZINC000901953977 584508312 /nfs/dbraw/zinc/50/83/12/584508312.db2.gz IZRCQSXSPUFZGK-KCJUWKMLSA-N -1 3 223.272 2.256 20 0 BEADHM C[C@H]1CC[N@H+](Cc2ccccc2[O-])[C@@H](C(=O)[O-])C1 ZINC000902018903 584513914 /nfs/dbraw/zinc/51/39/14/584513914.db2.gz VLZCEUFDAMJPFU-CMPLNLGQSA-N -1 3 249.310 2.077 20 0 BEADHM C[C@H]1CC[N@@H+](Cc2ccccc2[O-])[C@@H](C(=O)[O-])C1 ZINC000902018903 584513915 /nfs/dbraw/zinc/51/39/15/584513915.db2.gz VLZCEUFDAMJPFU-CMPLNLGQSA-N -1 3 249.310 2.077 20 0 BEADHM CCc1oc(CN2CCCC2)cc1C(=O)[O-] ZINC000902048225 584516652 /nfs/dbraw/zinc/51/66/52/584516652.db2.gz LIMRKZHUCHVVSV-UHFFFAOYSA-N -1 3 223.272 2.136 20 0 BEADHM CC[C@H](C)NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902048354 584516917 /nfs/dbraw/zinc/51/69/17/584516917.db2.gz OCBBRFOZXGLGLW-UCUJLANTSA-N -1 3 223.272 2.266 20 0 BEADHM CCc1oc(CN(CC)CC)cc1C(=O)[O-] ZINC000902127826 584528842 /nfs/dbraw/zinc/52/88/42/584528842.db2.gz VFDVDRABJLPJRD-UHFFFAOYSA-N -1 3 225.288 2.382 20 0 BEADHM CCc1oc(CNC[C@H]2C[C@@H]2C)cc1C(=O)[O-] ZINC000902144576 584530138 /nfs/dbraw/zinc/53/01/38/584530138.db2.gz IHGFLIPJYXHEMK-DTWKUNHWSA-N -1 3 237.299 2.286 20 0 BEADHM CC(=O)[N-]OCc1ccccc1CC(C)C ZINC000902231064 584542298 /nfs/dbraw/zinc/54/22/98/584542298.db2.gz OCYIMNPEFSHQBW-UHFFFAOYSA-N -1 3 221.300 2.453 20 0 BEADHM CCSc1ccccc1CO[N-]C(C)=O ZINC000902230807 584542282 /nfs/dbraw/zinc/54/22/82/584542282.db2.gz MSGQKUQRLLKRNA-UHFFFAOYSA-N -1 3 225.313 2.366 20 0 BEADHM CCc1oc(CN(C)C(C)C)cc1C(=O)[O-] ZINC000902507857 584621909 /nfs/dbraw/zinc/62/19/09/584621909.db2.gz QMYJTNIJWWJAIY-UHFFFAOYSA-N -1 3 225.288 2.380 20 0 BEADHM CC(=O)[N-]OCc1ccccc1C(C)C ZINC000902703634 584658964 /nfs/dbraw/zinc/65/89/64/584658964.db2.gz SYVAMZANINRJFI-UHFFFAOYSA-N -1 3 207.273 2.378 20 0 BEADHM O=C([O-])c1ccc2c(c1)CCN(CCCF)C2 ZINC000903618936 584787191 /nfs/dbraw/zinc/78/71/91/584787191.db2.gz PDXOUJFCPDOOJL-UHFFFAOYSA-N -1 3 237.274 2.103 20 0 BEADHM CC[C@H](CNCc1cc(C)ccc1F)C(=O)[O-] ZINC000903704374 584790613 /nfs/dbraw/zinc/79/06/13/584790613.db2.gz GWDYOOOIWACFPA-SNVBAGLBSA-N -1 3 239.290 2.335 20 0 BEADHM CCc1ccc(CNC[C@H](CC)C(=O)[O-])o1 ZINC000903704987 584790911 /nfs/dbraw/zinc/79/09/11/584790911.db2.gz GRVFTJPXNRXSDW-VIFPVBQESA-N -1 3 225.288 2.042 20 0 BEADHM CC[C@@H](CNCc1ccc(Cl)o1)C(=O)[O-] ZINC000903705040 584790958 /nfs/dbraw/zinc/79/09/58/584790958.db2.gz PGJJFHRUFLCZIH-ZETCQYMHSA-N -1 3 231.679 2.133 20 0 BEADHM CN(Cc1cncc(C(=O)[O-])c1)C[C@@H]1CC1(C)C ZINC000903910631 584821834 /nfs/dbraw/zinc/82/18/34/584821834.db2.gz XXNFFIYDSALKGJ-LBPRGKRZSA-N -1 3 248.326 2.258 20 0 BEADHM CC(C)CN1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903921928 584822927 /nfs/dbraw/zinc/82/29/27/584822927.db2.gz QVJJCGCZYLPGLC-UHFFFAOYSA-N -1 3 249.310 2.235 20 0 BEADHM CC(C)(NCc1cscc1Cl)C(=O)[O-] ZINC000904007735 584837457 /nfs/dbraw/zinc/83/74/57/584837457.db2.gz SOFJBKCBQNTGHM-UHFFFAOYSA-N -1 3 233.720 2.354 20 0 BEADHM CCCCN([O-])C(=O)NOC1CCCCC1 ZINC000904182803 584845026 /nfs/dbraw/zinc/84/50/26/584845026.db2.gz QCALZEPRBSOBHX-UHFFFAOYSA-N -1 3 230.308 2.452 20 0 BEADHM C[C@H]1CC[C@H](OC(=O)c2csc(=O)[n-]2)C1 ZINC000904247768 584856675 /nfs/dbraw/zinc/85/66/75/584856675.db2.gz QRJNGWGZRZYQBW-BQBZGAKWSA-N -1 3 227.285 2.194 20 0 BEADHM C[C@@H](NCc1ccc(C2CC2)cc1F)C(=O)[O-] ZINC000904242466 584858243 /nfs/dbraw/zinc/85/82/43/584858243.db2.gz MYNVYXYDIREPNP-MRVPVSSYSA-N -1 3 237.274 2.266 20 0 BEADHM C[C@H](N[C@@H]1c2ccccc2CC[C@H]1F)C(=O)[O-] ZINC000904256500 584858935 /nfs/dbraw/zinc/85/89/35/584858935.db2.gz AVUTWEZJSIRJNJ-XXILOJSOSA-N -1 3 237.274 2.075 20 0 BEADHM C[C@H](N[C@H]1c2ccccc2CC[C@H]1F)C(=O)[O-] ZINC000904256497 584859043 /nfs/dbraw/zinc/85/90/43/584859043.db2.gz AVUTWEZJSIRJNJ-AXTRIDKLSA-N -1 3 237.274 2.075 20 0 BEADHM C/C(=C/CN(C)[C@@H](C)c1cccnc1)C(=O)[O-] ZINC000833381858 584912815 /nfs/dbraw/zinc/91/28/15/584912815.db2.gz FLSOJIOSSOUUHO-YAEJEKNGSA-N -1 3 234.299 2.105 20 0 BEADHM CC(C)[C@H](CO)O[N-]C(=O)C(C)(C)C(C)(C)C ZINC000836892234 584937305 /nfs/dbraw/zinc/93/73/05/584937305.db2.gz CTZSSSUWJAWSEW-JTQLQIEISA-N -1 3 245.363 2.123 20 0 BEADHM C[C@H]1C[C@H]1Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736239746 584993823 /nfs/dbraw/zinc/99/38/23/584993823.db2.gz TYOIMHZHZOVBFJ-QUBYGPBYSA-N -1 3 249.705 2.340 20 0 BEADHM C[C@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736239746 584993824 /nfs/dbraw/zinc/99/38/24/584993824.db2.gz TYOIMHZHZOVBFJ-QUBYGPBYSA-N -1 3 249.705 2.340 20 0 BEADHM C[C@@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736265109 584995307 /nfs/dbraw/zinc/99/53/07/584995307.db2.gz YZCWWOIYKGMSTR-BXKDBHETSA-N -1 3 243.314 2.467 20 0 BEADHM C[C@@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736265109 584995308 /nfs/dbraw/zinc/99/53/08/584995308.db2.gz YZCWWOIYKGMSTR-BXKDBHETSA-N -1 3 243.314 2.467 20 0 BEADHM CC[C@H](C)[C@H](C)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819775896 585007065 /nfs/dbraw/zinc/00/70/65/585007065.db2.gz KMSCGQPUQLLYBV-YIZRAAEISA-N -1 3 228.361 2.276 20 0 BEADHM Clc1cccc(-c2nnn[n-]2)c1N1CCCC1 ZINC000737573247 585036470 /nfs/dbraw/zinc/03/64/70/585036470.db2.gz DEJHUTSYLHYFFY-UHFFFAOYSA-N -1 3 249.705 2.120 20 0 BEADHM Clc1cccc(-c2nn[n-]n2)c1N1CCCC1 ZINC000737573247 585036471 /nfs/dbraw/zinc/03/64/71/585036471.db2.gz DEJHUTSYLHYFFY-UHFFFAOYSA-N -1 3 249.705 2.120 20 0 BEADHM Clc1ccc(-c2nnn[n-]2)c(N2CCCC2)c1 ZINC000737571199 585036482 /nfs/dbraw/zinc/03/64/82/585036482.db2.gz WCDBXURYCVOOTQ-UHFFFAOYSA-N -1 3 249.705 2.120 20 0 BEADHM Clc1ccc(-c2nn[n-]n2)c(N2CCCC2)c1 ZINC000737571199 585036483 /nfs/dbraw/zinc/03/64/83/585036483.db2.gz WCDBXURYCVOOTQ-UHFFFAOYSA-N -1 3 249.705 2.120 20 0 BEADHM CC(C)COC(=O)Cc1ccc([O-])c(F)c1 ZINC000838140959 585046851 /nfs/dbraw/zinc/04/68/51/585046851.db2.gz JYZARPQTIPIKSM-UHFFFAOYSA-N -1 3 226.247 2.273 20 0 BEADHM Cc1ccc2c(c1)N(C([O-])=NOCC1CC1)CC2 ZINC000838604561 585061284 /nfs/dbraw/zinc/06/12/84/585061284.db2.gz NLAOSGYXLGJIND-UHFFFAOYSA-N -1 3 246.310 2.409 20 0 BEADHM Cc1ccc2c(c1)N(C(=O)[N-]OCC1CC1)CC2 ZINC000838604561 585061285 /nfs/dbraw/zinc/06/12/85/585061285.db2.gz NLAOSGYXLGJIND-UHFFFAOYSA-N -1 3 246.310 2.409 20 0 BEADHM CCOc1nc2ccc(C(=O)OC3CC3)cc2[n-]1 ZINC000838862551 585075896 /nfs/dbraw/zinc/07/58/96/585075896.db2.gz KLLDMWQRCKEGAK-UHFFFAOYSA-N -1 3 246.266 2.281 20 0 BEADHM CCOc1nc2cc(C(=O)OC3CC3)ccc2[n-]1 ZINC000838862551 585075897 /nfs/dbraw/zinc/07/58/97/585075897.db2.gz KLLDMWQRCKEGAK-UHFFFAOYSA-N -1 3 246.266 2.281 20 0 BEADHM O=c1ccnc(C=Cc2cccc3c2OCO3)[n-]1 ZINC000742220488 585123295 /nfs/dbraw/zinc/12/32/95/585123295.db2.gz OFRLPDCXPSKBLB-SNAWJCMRSA-N -1 3 242.234 2.081 20 0 BEADHM CSCCCOC(=O)c1ccc([O-])cc1 ZINC000744476198 585150859 /nfs/dbraw/zinc/15/08/59/585150859.db2.gz ZYNMXTAWJNQARV-UHFFFAOYSA-N -1 3 226.297 2.302 20 0 BEADHM O=C(OCCF)c1ccc(Cl)cc1[O-] ZINC000744471351 585150914 /nfs/dbraw/zinc/15/09/14/585150914.db2.gz AHKXDABIPHJDFP-UHFFFAOYSA-N -1 3 218.611 2.172 20 0 BEADHM O=C([N-]OCc1cccnc1)[C@@H]1CC12CCCC2 ZINC000746938115 585173657 /nfs/dbraw/zinc/17/36/57/585173657.db2.gz ZPUUTIBASVCKKG-LBPRGKRZSA-N -1 3 246.310 2.210 20 0 BEADHM O=C(OCc1cscn1)c1ccc([O-])cc1 ZINC000747795676 585184582 /nfs/dbraw/zinc/18/45/82/585184582.db2.gz FYUAGQHNDANDSQ-UHFFFAOYSA-N -1 3 235.264 2.206 20 0 BEADHM CCC[C@@H](C)OC(=O)c1cncc([O-])c1 ZINC000748122845 585187715 /nfs/dbraw/zinc/18/77/15/585187715.db2.gz QOVFDAHTFYLANM-MRVPVSSYSA-N -1 3 209.245 2.133 20 0 BEADHM COCCO[N-]C(=O)C[C@@H](C)C1CCCCC1 ZINC000748768406 585195242 /nfs/dbraw/zinc/19/52/42/585195242.db2.gz RZFPDYCCPGTFQO-LLVKDONJSA-N -1 3 243.347 2.287 20 0 BEADHM CCO[N-]C(=O)C/C=C\c1cccc(F)c1 ZINC000749341136 585201440 /nfs/dbraw/zinc/20/14/40/585201440.db2.gz WPBSISLSRLQODV-XQRVVYSFSA-N -1 3 223.247 2.297 20 0 BEADHM CCC/C(C)=C\C(=O)[N-]O[C@H]1CCCCO1 ZINC000749616434 585204213 /nfs/dbraw/zinc/20/42/13/585204213.db2.gz DFQANGLLYIIICC-PRDAAYKISA-N -1 3 227.304 2.307 20 0 BEADHM C[C@H]1C[C@H](C)CN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000750819008 585220427 /nfs/dbraw/zinc/22/04/27/585220427.db2.gz IZDOCODIGXARBC-UWVGGRQHSA-N -1 3 248.326 2.093 20 0 BEADHM CCn1nccc1NC(=O)c1cc2occc2[n-]1 ZINC000750864488 585220632 /nfs/dbraw/zinc/22/06/32/585220632.db2.gz LYRZHYNMTLPAHF-UHFFFAOYSA-N -1 3 244.254 2.230 20 0 BEADHM O=C(OCCF)c1cc(F)cc(Cl)c1[O-] ZINC000751735463 585235657 /nfs/dbraw/zinc/23/56/57/585235657.db2.gz RYWMEZYJZRDWCB-UHFFFAOYSA-N -1 3 236.601 2.311 20 0 BEADHM C[C@@H]1CC/C(=C\C(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000753603051 585263462 /nfs/dbraw/zinc/26/34/62/585263462.db2.gz RLPPQYXHHIZODA-RLMBRUFRSA-N -1 3 239.315 2.307 20 0 BEADHM Cc1cc(=O)[n-]c(CSc2ccccn2)n1 ZINC000754458540 585284646 /nfs/dbraw/zinc/28/46/46/585284646.db2.gz SRZZQQYUGQOEPC-UHFFFAOYSA-N -1 3 233.296 2.178 20 0 BEADHM CC(C)c1ocnc1C(=O)[N-]c1ccon1 ZINC000755761864 585306081 /nfs/dbraw/zinc/30/60/81/585306081.db2.gz LTQLADDNDQASCG-UHFFFAOYSA-N -1 3 221.216 2.038 20 0 BEADHM CC(C)CO[N-]C(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC000839711405 585338155 /nfs/dbraw/zinc/33/81/55/585338155.db2.gz VPICDRAPNKKHNK-QWHCGFSZSA-N -1 3 249.310 2.200 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)CC(C)(C)COC ZINC000839775825 585341240 /nfs/dbraw/zinc/34/12/40/585341240.db2.gz HINGFVGIMSYMSD-SNVBAGLBSA-N -1 3 231.336 2.143 20 0 BEADHM Cc1cc(COC(=O)c2ccc([O-])cc2C)on1 ZINC000758530659 585357079 /nfs/dbraw/zinc/35/70/79/585357079.db2.gz IMLNIJVXJXQWGU-UHFFFAOYSA-N -1 3 247.250 2.354 20 0 BEADHM Cc1cccc(NC([O-])=NOCC(F)F)c1 ZINC000758826959 585360370 /nfs/dbraw/zinc/36/03/70/585360370.db2.gz RYFGURBVOSHWRT-UHFFFAOYSA-N -1 3 230.214 2.313 20 0 BEADHM Cc1cccc(NC(=O)[N-]OCC(F)F)c1 ZINC000758826959 585360371 /nfs/dbraw/zinc/36/03/71/585360371.db2.gz RYFGURBVOSHWRT-UHFFFAOYSA-N -1 3 230.214 2.313 20 0 BEADHM O=C(/C=C\c1ccccc1F)[N-]OCC(F)F ZINC000759332213 585368348 /nfs/dbraw/zinc/36/83/48/585368348.db2.gz YJJRZUSQNCXHEY-WAYWQWQTSA-N -1 3 245.200 2.152 20 0 BEADHM C[C@H]1CC/C(=C\C(=O)[N-]OCC(F)F)C1 ZINC000759331975 585368464 /nfs/dbraw/zinc/36/84/64/585368464.db2.gz XOAKXOUNKUCZQJ-QAZRXNLGSA-N -1 3 219.231 2.046 20 0 BEADHM CCCCn1ncc(NC(=O)[N-]OCC)c1C ZINC000759992596 585383930 /nfs/dbraw/zinc/38/39/30/585383930.db2.gz ACOOHSQDYQNLRZ-UHFFFAOYSA-N -1 3 240.307 2.065 20 0 BEADHM O=C([N-]CCC[C@@H]1CCCCO1)C(F)(F)F ZINC000761014910 585403376 /nfs/dbraw/zinc/40/33/76/585403376.db2.gz WTVWSQKCLAJDCE-QMMMGPOBSA-N -1 3 239.237 2.014 20 0 BEADHM Cc1cc(=O)[n-]c(CN2C[C@H](C)CC2(C)C)n1 ZINC000761887088 585422604 /nfs/dbraw/zinc/42/26/04/585422604.db2.gz KIPBJPDKZSZKKS-SECBINFHSA-N -1 3 235.331 2.111 20 0 BEADHM CCC(C)(CC)C(=O)[N-]OCC(F)F ZINC000767100298 585513567 /nfs/dbraw/zinc/51/35/67/585513567.db2.gz RHAMBOAGBQXACQ-UHFFFAOYSA-N -1 3 209.236 2.126 20 0 BEADHM CO[N-]C(=O)CCCC(=O)c1ccc(C)cc1 ZINC000767034143 585512836 /nfs/dbraw/zinc/51/28/36/585512836.db2.gz WTYNECYIGJXDNK-UHFFFAOYSA-N -1 3 235.283 2.026 20 0 BEADHM CC(C)(F)C(=O)[N-]c1cc(C(F)(F)F)no1 ZINC000768418789 585538159 /nfs/dbraw/zinc/53/81/59/585538159.db2.gz XWIDRMINHACXSM-UHFFFAOYSA-N -1 3 240.156 2.380 20 0 BEADHM O=c1ccnc(C=Cc2cccc3nccn32)[n-]1 ZINC000769610971 585560608 /nfs/dbraw/zinc/56/06/08/585560608.db2.gz UKUBWYAZSQKWRN-SNAWJCMRSA-N -1 3 238.250 2.000 20 0 BEADHM CCOCCCOC(=O)c1c([O-])cccc1F ZINC000772577779 585618520 /nfs/dbraw/zinc/61/85/20/585618520.db2.gz HHTIWUNHMOZVSF-UHFFFAOYSA-N -1 3 242.246 2.115 20 0 BEADHM O=C(OC/C=C/Cl)c1c([O-])cccc1F ZINC000772594502 585618549 /nfs/dbraw/zinc/61/85/49/585618549.db2.gz VCVIJSLHJBKMPO-GORDUTHDSA-N -1 3 230.622 2.441 20 0 BEADHM CCCCCC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000773277303 585634656 /nfs/dbraw/zinc/63/46/56/585634656.db2.gz HAKVOXFBVDCBMO-UHFFFAOYSA-N -1 3 245.344 2.447 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCC=CO1 ZINC000773699217 585642611 /nfs/dbraw/zinc/64/26/11/585642611.db2.gz OQLXEXKLSSYJGD-LLVKDONJSA-N -1 3 237.230 2.163 20 0 BEADHM CSCCSCc1nc(C)cc(=O)[n-]1 ZINC000774680134 585663163 /nfs/dbraw/zinc/66/31/63/585663163.db2.gz RHFVFTQPPUPWSP-UHFFFAOYSA-N -1 3 230.358 2.087 20 0 BEADHM CC(=O)[N-]OCc1ccc(C)cc1Cl ZINC000774820252 585666782 /nfs/dbraw/zinc/66/67/82/585666782.db2.gz IMVDEZLJBWVKNP-UHFFFAOYSA-N -1 3 213.664 2.216 20 0 BEADHM O=C([N-]OC1CCCC1)c1scnc1Cl ZINC000775274281 585674496 /nfs/dbraw/zinc/67/44/96/585674496.db2.gz UHNXOFPHOOTABF-UHFFFAOYSA-N -1 3 246.719 2.401 20 0 BEADHM CC(C)COCCC(=O)[N-]OC1CCCC1 ZINC000775276869 585674820 /nfs/dbraw/zinc/67/48/20/585674820.db2.gz MECMVVFRNQNWAV-UHFFFAOYSA-N -1 3 229.320 2.040 20 0 BEADHM Cc1n[n-]nc1C(=O)O[C@H](C)c1cccc(C)c1 ZINC000805546792 585679382 /nfs/dbraw/zinc/67/93/82/585679382.db2.gz QYAXREJNVIYSNJ-SNVBAGLBSA-N -1 3 245.282 2.340 20 0 BEADHM CC[C@@H](C)OC(=O)c1nn[n-]c1-c1ccccc1 ZINC000805550816 585684942 /nfs/dbraw/zinc/68/49/42/585684942.db2.gz DRSCTQQGBUVYTC-SECBINFHSA-N -1 3 245.282 2.427 20 0 BEADHM CC[C@@H](C)OC(=O)c1[n-]nnc1-c1ccccc1 ZINC000805550816 585684943 /nfs/dbraw/zinc/68/49/43/585684943.db2.gz DRSCTQQGBUVYTC-SECBINFHSA-N -1 3 245.282 2.427 20 0 BEADHM CC[C@@H](C)OC(=O)c1n[n-]nc1-c1ccccc1 ZINC000805550816 585684944 /nfs/dbraw/zinc/68/49/44/585684944.db2.gz DRSCTQQGBUVYTC-SECBINFHSA-N -1 3 245.282 2.427 20 0 BEADHM CC(C)COC(=O)c1nn[n-]c1-c1ccccc1 ZINC000805551543 585685938 /nfs/dbraw/zinc/68/59/38/585685938.db2.gz MFPCINUAUKYIGD-UHFFFAOYSA-N -1 3 245.282 2.285 20 0 BEADHM CC(C)COC(=O)c1[n-]nnc1-c1ccccc1 ZINC000805551543 585685939 /nfs/dbraw/zinc/68/59/39/585685939.db2.gz MFPCINUAUKYIGD-UHFFFAOYSA-N -1 3 245.282 2.285 20 0 BEADHM CC(C)COC(=O)c1n[n-]nc1-c1ccccc1 ZINC000805551543 585685940 /nfs/dbraw/zinc/68/59/40/585685940.db2.gz MFPCINUAUKYIGD-UHFFFAOYSA-N -1 3 245.282 2.285 20 0 BEADHM CCC(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC000775933755 585687940 /nfs/dbraw/zinc/68/79/40/585687940.db2.gz JMJHMFVCCHWOPK-UHFFFAOYSA-N -1 3 242.658 2.182 20 0 BEADHM Cc1ccccc1[C@@H](C)OC(=O)c1cnn[n-]1 ZINC000805605995 585732660 /nfs/dbraw/zinc/73/26/60/585732660.db2.gz DJSIEIOKYLVIAX-SECBINFHSA-N -1 3 231.255 2.031 20 0 BEADHM Cc1ccccc1[C@@H](C)OC(=O)c1c[n-]nn1 ZINC000805605995 585732661 /nfs/dbraw/zinc/73/26/61/585732661.db2.gz DJSIEIOKYLVIAX-SECBINFHSA-N -1 3 231.255 2.031 20 0 BEADHM C[C@H]1CCC[C@H](CCOC(=O)c2cnn[n-]2)C1 ZINC000805607996 585735276 /nfs/dbraw/zinc/73/52/76/585735276.db2.gz VYCUVIMIUKEIEH-VHSXEESVSA-N -1 3 237.303 2.178 20 0 BEADHM C[C@H]1CCC[C@H](CCOC(=O)c2c[n-]nn2)C1 ZINC000805607996 585735277 /nfs/dbraw/zinc/73/52/77/585735277.db2.gz VYCUVIMIUKEIEH-VHSXEESVSA-N -1 3 237.303 2.178 20 0 BEADHM COCCO[N-]C(=O)/C(C)=C/c1ccc(C)cc1 ZINC000778857065 585741492 /nfs/dbraw/zinc/74/14/92/585741492.db2.gz CZPKBLJVFFJTIT-ZRDIBKRKSA-N -1 3 249.310 2.093 20 0 BEADHM Cc1cnc(COC(=O)c2ccc([O-])c(C)c2)o1 ZINC000778852983 585741560 /nfs/dbraw/zinc/74/15/60/585741560.db2.gz MEYOVIXEHQGTFM-UHFFFAOYSA-N -1 3 247.250 2.354 20 0 BEADHM CC(=O)CCCC(=O)[N-]OC1CCCCC1 ZINC000779321677 585750966 /nfs/dbraw/zinc/75/09/66/585750966.db2.gz LPXANRIMXUSJSO-UHFFFAOYSA-N -1 3 227.304 2.126 20 0 BEADHM CCC[C@@H](C)NC(=O)/C=C\c1cncc([O-])c1 ZINC000779651262 585758289 /nfs/dbraw/zinc/75/82/89/585758289.db2.gz HMEQZXSBFMWBCS-WWQCOOJYSA-N -1 3 234.299 2.105 20 0 BEADHM O=C([N-]C[C@@H]1CCC[C@@H]1C1CC1)C(F)(F)F ZINC000839804516 585779085 /nfs/dbraw/zinc/77/90/85/585779085.db2.gz ABBNOGYGPIXBAP-DTWKUNHWSA-N -1 3 235.249 2.491 20 0 BEADHM CC/C(C)=C(\C)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000780917362 585786288 /nfs/dbraw/zinc/78/62/88/585786288.db2.gz RCZKCPXNJNEKDQ-PBQZMEPESA-N -1 3 227.304 2.307 20 0 BEADHM CO[C@@H](C)COC(=O)c1ccc(Cl)cc1[O-] ZINC000782281353 585813652 /nfs/dbraw/zinc/81/36/52/585813652.db2.gz HKAHICTUIFULRT-ZETCQYMHSA-N -1 3 244.674 2.237 20 0 BEADHM CCC/C=C\C(=O)Nc1ncccc1[O-] ZINC000783645972 585839438 /nfs/dbraw/zinc/83/94/38/585839438.db2.gz PDNWPZJXHJTNMH-DAXSKMNVSA-N -1 3 206.245 2.082 20 0 BEADHM CC(C)[C@H](F)C(=O)Nc1cc(F)ccc1[O-] ZINC000784454546 585860328 /nfs/dbraw/zinc/86/03/28/585860328.db2.gz FMXWZZFPWFQPDD-JTQLQIEISA-N -1 3 229.226 2.464 20 0 BEADHM Cc1cc([N-]C(=O)c2c(C)noc2C2CC2)no1 ZINC000785071733 585870394 /nfs/dbraw/zinc/87/03/94/585870394.db2.gz XYDXFFYVTONQIB-UHFFFAOYSA-N -1 3 247.254 2.409 20 0 BEADHM CCCC(C)(C)CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000785282869 585872327 /nfs/dbraw/zinc/87/23/27/585872327.db2.gz LHFTVRWNIIJZJZ-LLVKDONJSA-N -1 3 243.347 2.287 20 0 BEADHM COc1ccc(NC(=O)C2=CCCCO2)c([O-])c1 ZINC000785425683 585873394 /nfs/dbraw/zinc/87/33/94/585873394.db2.gz SDJCFOLCKFPCEN-UHFFFAOYSA-N -1 3 249.266 2.034 20 0 BEADHM Cc1cncc(COC(=O)c2ccc([O-])cc2)c1 ZINC000785649991 585877201 /nfs/dbraw/zinc/87/72/01/585877201.db2.gz NGJJECXDWXBDRD-UHFFFAOYSA-N -1 3 243.262 2.453 20 0 BEADHM COC[C@H](C)OC(=O)c1cc([O-])ccc1Cl ZINC000785872121 585882283 /nfs/dbraw/zinc/88/22/83/585882283.db2.gz GQODLSZLGMKCPU-ZETCQYMHSA-N -1 3 244.674 2.237 20 0 BEADHM C/C=C\COC(=O)c1cc2occc2[n-]1 ZINC000786027406 585885501 /nfs/dbraw/zinc/88/55/01/585885501.db2.gz DTMNTXQXFDHDIU-IHWYPQMZSA-N -1 3 205.213 2.494 20 0 BEADHM O=C(OCc1ccno1)c1cc2occc2[n-]1 ZINC000786029874 585885744 /nfs/dbraw/zinc/88/57/44/585885744.db2.gz REIRYXOKCIWDIB-UHFFFAOYSA-N -1 3 232.195 2.106 20 0 BEADHM O=C(OCCCF)c1cc2occc2[n-]1 ZINC000786033528 585885923 /nfs/dbraw/zinc/88/59/23/585885923.db2.gz LAVXSFRFDJXSRQ-UHFFFAOYSA-N -1 3 211.192 2.277 20 0 BEADHM O=C([N-][C@H]1CCc2ccc(F)cc21)C(F)F ZINC000787336609 585907090 /nfs/dbraw/zinc/90/70/90/585907090.db2.gz YBMWVBJGAZBDJY-VIFPVBQESA-N -1 3 229.201 2.194 20 0 BEADHM CC(C)[C@@H]([N-]C(=O)C(F)F)c1ccccn1 ZINC000787379420 585908178 /nfs/dbraw/zinc/90/81/78/585908178.db2.gz CIQBTHPZLMPLEJ-SECBINFHSA-N -1 3 228.242 2.160 20 0 BEADHM Cc1cccc(F)c1C[N-]C(=O)C(F)F ZINC000787401108 585908734 /nfs/dbraw/zinc/90/87/34/585908734.db2.gz VYLJCHNRKCCDCF-UHFFFAOYSA-N -1 3 217.190 2.015 20 0 BEADHM CC[C@@H]([N-]C(=O)C(F)F)c1c(C)noc1C ZINC000787473497 585909729 /nfs/dbraw/zinc/90/97/29/585909729.db2.gz NBHREXIKYPWMQV-SSDOTTSWSA-N -1 3 232.230 2.124 20 0 BEADHM CC(C)(O)CO[N-]C(=O)C(C)(C)C1CCCC1 ZINC000788223776 585919626 /nfs/dbraw/zinc/91/96/26/585919626.db2.gz QEQQVNDCMAJSCQ-UHFFFAOYSA-N -1 3 243.347 2.022 20 0 BEADHM CC(=O)CC(C)(C)CC(=O)[N-]OC1CCCC1 ZINC000788525726 585926268 /nfs/dbraw/zinc/92/62/68/585926268.db2.gz MZMIHCULQQBZIM-UHFFFAOYSA-N -1 3 241.331 2.372 20 0 BEADHM CCO[N-]C(=O)Cc1cccc(C(F)F)c1 ZINC000790486972 585965485 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MDHAURGDVQRWGP-UTCJRWHESA-N -1 3 241.678 2.196 20 0 BEADHM [O-]C(=NOC/C=C/Cl)Nc1cncc(F)c1 ZINC000810233854 586537446 /nfs/dbraw/zinc/53/74/46/586537446.db2.gz QVPNRFGTZUBEJU-OWOJBTEDSA-N -1 3 245.641 2.026 20 0 BEADHM O=C([N-]OC/C=C/Cl)Nc1cncc(F)c1 ZINC000810233854 586537447 /nfs/dbraw/zinc/53/74/47/586537447.db2.gz QVPNRFGTZUBEJU-OWOJBTEDSA-N -1 3 245.641 2.026 20 0 BEADHM CCc1cc(C(=O)OC[C@H](C)OC)ccc1[O-] ZINC000811305601 586558020 /nfs/dbraw/zinc/55/80/20/586558020.db2.gz VOTHGSLJPYMOOO-VIFPVBQESA-N -1 3 238.283 2.146 20 0 BEADHM [O-]C(=NOC1CCC1)Nc1cccc(F)c1 ZINC000812319217 586573080 /nfs/dbraw/zinc/57/30/80/586573080.db2.gz ZMOPXFJACSUGQT-UHFFFAOYSA-N -1 3 224.235 2.431 20 0 BEADHM O=C([N-]OC1CCC1)Nc1cccc(F)c1 ZINC000812319217 586573081 /nfs/dbraw/zinc/57/30/81/586573081.db2.gz ZMOPXFJACSUGQT-UHFFFAOYSA-N -1 3 224.235 2.431 20 0 BEADHM O=C(Cc1cccc(F)c1)[N-]OC/C=C/Cl ZINC000812406294 586576273 /nfs/dbraw/zinc/57/62/73/586576273.db2.gz OVFGHGAWEACOGR-GORDUTHDSA-N -1 3 243.665 2.169 20 0 BEADHM O=C([N-]OC/C=C/Cl)[C@H]1CC12CCCC2 ZINC000812404851 586576385 /nfs/dbraw/zinc/57/63/85/586576385.db2.gz KVLGLWBXYZRKFH-BSPAPZMXSA-N -1 3 229.707 2.367 20 0 BEADHM C[C@H]1CC[C@H](CC(=O)[N-]OC2CCC2)C1 ZINC000812789862 586585018 /nfs/dbraw/zinc/58/50/18/586585018.db2.gz NODWTKSSBYQFAH-UWVGGRQHSA-N -1 3 211.305 2.413 20 0 BEADHM CC[C@@H]1C[C@H](CC(=O)[N-]OC2CCC2)CCO1 ZINC000812791981 586585357 /nfs/dbraw/zinc/58/53/57/586585357.db2.gz GIDGJJFJUYVUJA-GHMZBOCLSA-N -1 3 241.331 2.182 20 0 BEADHM O=C([N-]OC1CCC1)[C@@H]1CC12CCCC2 ZINC000812792296 586585596 /nfs/dbraw/zinc/58/55/96/586585596.db2.gz SUFIILYODVPJFE-JTQLQIEISA-N -1 3 209.289 2.167 20 0 BEADHM CCCC1(C(=O)[N-]OCCOC(C)C)CCC1 ZINC000812803343 586586520 /nfs/dbraw/zinc/58/65/20/586586520.db2.gz DIFQERCVUCOCDV-UHFFFAOYSA-N -1 3 243.347 2.430 20 0 BEADHM CC[C@H](C)CCC(=O)[N-]OCCOC(C)C ZINC000812807119 586587162 /nfs/dbraw/zinc/58/71/62/586587162.db2.gz YZCLIHYXWSMLHC-NSHDSACASA-N -1 3 231.336 2.286 20 0 BEADHM Cc1c[nH]nc1NC(=O)c1cc2occc2[n-]1 ZINC000813538532 586603378 /nfs/dbraw/zinc/60/33/78/586603378.db2.gz CEPGRKAZSMMZSF-UHFFFAOYSA-N -1 3 230.227 2.045 20 0 BEADHM CC[C@@H](C)CON=C([O-])Nc1ccccn1 ZINC000813826498 586607292 /nfs/dbraw/zinc/60/72/92/586607292.db2.gz CHMWOPQJZOXFQF-SECBINFHSA-N -1 3 223.276 2.181 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccccn1 ZINC000813826498 586607293 /nfs/dbraw/zinc/60/72/93/586607293.db2.gz CHMWOPQJZOXFQF-SECBINFHSA-N -1 3 223.276 2.181 20 0 BEADHM CC(C)(C)C(C)(C)C(=O)[N-]C1=NCCS1 ZINC000814257931 586620814 /nfs/dbraw/zinc/62/08/14/586620814.db2.gz VXENMEHTBGFASS-UHFFFAOYSA-N -1 3 228.361 2.278 20 0 BEADHM Cc1c(N)cccc1NC(=O)[N-]OCC(C)C ZINC000859726650 589057160 /nfs/dbraw/zinc/05/71/60/589057160.db2.gz GUZJOUXJDSSVRN-UHFFFAOYSA-N -1 3 237.303 2.286 20 0 BEADHM CC(F)(F)C(=O)Nc1cccc([O-])c1F ZINC000815884070 586695825 /nfs/dbraw/zinc/69/58/25/586695825.db2.gz WKUPVJYUFXJKKM-UHFFFAOYSA-N -1 3 219.162 2.125 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H](O)CC(C)(C)C ZINC000816978804 586774292 /nfs/dbraw/zinc/77/42/92/586774292.db2.gz BOKYMEWIMANRRI-GHMZBOCLSA-N -1 3 245.363 2.268 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)CCOCC(C)C ZINC000816976675 586776220 /nfs/dbraw/zinc/77/62/20/586776220.db2.gz HZUXMCUPBBXXOX-NSHDSACASA-N -1 3 231.336 2.143 20 0 BEADHM Cc1ccc2[nH]c([N-]C(=O)C(F)(F)F)nc2c1 ZINC000817017323 586778943 /nfs/dbraw/zinc/77/89/43/586778943.db2.gz JHTWDFKURDYXOC-UHFFFAOYSA-N -1 3 243.188 2.372 20 0 BEADHM Cc1ccc2nc([N-]C(=O)C(F)(F)F)[nH]c2c1 ZINC000817017323 586778946 /nfs/dbraw/zinc/77/89/46/586778946.db2.gz JHTWDFKURDYXOC-UHFFFAOYSA-N -1 3 243.188 2.372 20 0 BEADHM CC(C)([N-]C(=O)C(F)F)c1ccccc1F ZINC000817039081 586779855 /nfs/dbraw/zinc/77/98/55/586779855.db2.gz APZGCHAYLADJHY-UHFFFAOYSA-N -1 3 231.217 2.442 20 0 BEADHM CC1=C(C(=O)[N-]OCCC2CC2)CCC1 ZINC000817421077 586799594 /nfs/dbraw/zinc/79/95/94/586799594.db2.gz MGOKJUGBMGWAKI-UHFFFAOYSA-N -1 3 209.289 2.335 20 0 BEADHM Cc1cncc(CCC(=O)[N-]OCCC2CC2)c1 ZINC000817383194 586800198 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/nfs/dbraw/zinc/84/04/13/586840413.db2.gz GHHICFPMHKIPDK-LBPRGKRZSA-N -1 3 248.326 2.235 20 0 BEADHM CC(C)[C@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC000817917418 586840709 /nfs/dbraw/zinc/84/07/09/586840709.db2.gz GHHICFPMHKIPDK-GFCCVEGCSA-N -1 3 248.326 2.235 20 0 BEADHM CN(CC(C)(C)C)C(=O)c1ccc(N)cc1[O-] ZINC000817925004 586840990 /nfs/dbraw/zinc/84/09/90/586840990.db2.gz ONOPFGSPLCVBCI-UHFFFAOYSA-N -1 3 236.315 2.093 20 0 BEADHM CCC1(CNC(=O)c2ccc(N)cc2[O-])CCC1 ZINC000817936037 586844165 /nfs/dbraw/zinc/84/41/65/586844165.db2.gz MHGHFNPSMINTJQ-UHFFFAOYSA-N -1 3 248.326 2.285 20 0 BEADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(N)cc1[O-] ZINC000817945077 586846204 /nfs/dbraw/zinc/84/62/04/586846204.db2.gz SRUGVBSIIJWYDQ-VHSXEESVSA-N -1 3 248.326 2.235 20 0 BEADHM CC(C)C1(CNC(=O)c2ccc(N)cc2[O-])CC1 ZINC000817951159 586847641 /nfs/dbraw/zinc/84/76/41/586847641.db2.gz CDPWLHQMSBVTNU-UHFFFAOYSA-N -1 3 248.326 2.140 20 0 BEADHM CC[C@@]1(C)CCN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000817955719 586849553 /nfs/dbraw/zinc/84/95/53/586849553.db2.gz GAVSABVFYDMDPQ-AWEZNQCLSA-N -1 3 248.326 2.237 20 0 BEADHM CC(C)C[C@H](C)NC(=O)c1ccc(N)cc1[O-] ZINC000817996732 586862391 /nfs/dbraw/zinc/86/23/91/586862391.db2.gz HCVUOXRBEQEULF-VIFPVBQESA-N -1 3 236.315 2.139 20 0 BEADHM C[C@@H](CC(=O)[O-])NCc1ccc2ccccc2n1 ZINC000818003957 586863562 /nfs/dbraw/zinc/86/35/62/586863562.db2.gz IWVDGYQBTYADQP-JTQLQIEISA-N -1 3 244.294 2.188 20 0 BEADHM CCc1noc(C)c1[C@@H](C)NCCCC(=O)[O-] ZINC000818350427 586887956 /nfs/dbraw/zinc/88/79/56/586887956.db2.gz HMBXYFJVBPXOPH-MRVPVSSYSA-N -1 3 240.303 2.061 20 0 BEADHM Cc1ccc(NC(=O)/C=C\[C@H]2CCCO2)c([O-])c1 ZINC000819006801 586922750 /nfs/dbraw/zinc/92/27/50/586922750.db2.gz LYNCBQHQLKVWRE-JPVGGKMYSA-N -1 3 247.294 2.374 20 0 BEADHM C[C@H]1CCCC[C@@H]1C(=O)[N-]C1=NCCS1 ZINC000819031585 586925550 /nfs/dbraw/zinc/92/55/50/586925550.db2.gz SSRSSIUEFLBDBR-IUCAKERBSA-N -1 3 226.345 2.032 20 0 BEADHM C[C@@H]1CCCC[C@@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000819205902 586938570 /nfs/dbraw/zinc/93/85/70/586938570.db2.gz RZXWGKQMADTZFY-WOPDTQHZSA-N -1 3 241.331 2.387 20 0 BEADHM O=C([O-])C1(NC/C(Cl)=C/Cl)CCCC1 ZINC000819225012 586940242 /nfs/dbraw/zinc/94/02/42/586940242.db2.gz DBOZQHNYEDQLKP-ALCCZGGFSA-N -1 3 238.114 2.292 20 0 BEADHM O=C([O-])CCCNCc1cscc1Cl ZINC000819460034 586965997 /nfs/dbraw/zinc/96/59/97/586965997.db2.gz KELYBJNGQAFPJU-UHFFFAOYSA-N -1 3 233.720 2.356 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C(F)=C2CCC2)n1 ZINC000819517815 586972467 /nfs/dbraw/zinc/97/24/67/586972467.db2.gz ZALRRIKEJFXANM-UHFFFAOYSA-N -1 3 236.246 2.442 20 0 BEADHM O=C([N-][C@H]1C[C@@]1(F)c1ccccc1)C(F)F ZINC000819627683 586981583 /nfs/dbraw/zinc/98/15/83/586981583.db2.gz BBEGNMUXCZETHH-GZMMTYOYSA-N -1 3 229.201 2.005 20 0 BEADHM CC(C)CCC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819761957 586990986 /nfs/dbraw/zinc/99/09/86/586990986.db2.gz APOZDRITVFEGDZ-MRVPVSSYSA-N -1 3 214.334 2.030 20 0 BEADHM CCC[C@@H](C)CC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819767348 586991354 /nfs/dbraw/zinc/99/13/54/586991354.db2.gz SGVYKHTYRQLFQW-BDAKNGLRSA-N -1 3 228.361 2.420 20 0 BEADHM CCCCSCC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819768589 586991625 /nfs/dbraw/zinc/99/16/25/586991625.db2.gz NMMUPFWNSMXUSF-MRVPVSSYSA-N -1 3 246.401 2.127 20 0 BEADHM Cc1ccc(CC(=O)[N-]C2=NC[C@H](C)S2)cc1 ZINC000819768638 586991749 /nfs/dbraw/zinc/99/17/49/586991749.db2.gz SSHORVIUZFKYEG-JTQLQIEISA-N -1 3 248.351 2.145 20 0 BEADHM C[C@@H]1CC[C@@H](C(=O)[N-]C2=NC[C@@H](C)S2)C1 ZINC000819775395 586992377 /nfs/dbraw/zinc/99/23/77/586992377.db2.gz FTVHIESABJHTJJ-IWSPIJDZSA-N -1 3 226.345 2.030 20 0 BEADHM CC(C)CCCC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819779623 586993701 /nfs/dbraw/zinc/99/37/01/586993701.db2.gz AACVRUVTFXFGMI-SECBINFHSA-N -1 3 228.361 2.420 20 0 BEADHM CC[C@@H](C)CC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819779922 586993765 /nfs/dbraw/zinc/99/37/65/586993765.db2.gz BJTPZAVSZLKBFO-HTQZYQBOSA-N -1 3 214.334 2.030 20 0 BEADHM CC(C)[C@H](C)Sc1ccc(-c2nnn[n-]2)cn1 ZINC000820021450 587013952 /nfs/dbraw/zinc/01/39/52/587013952.db2.gz UGIBSCBWGSLBAZ-QMMMGPOBSA-N -1 3 249.343 2.398 20 0 BEADHM CC(C)[C@H](C)Sc1ccc(-c2nn[n-]n2)cn1 ZINC000820021450 587013954 /nfs/dbraw/zinc/01/39/54/587013954.db2.gz UGIBSCBWGSLBAZ-QMMMGPOBSA-N -1 3 249.343 2.398 20 0 BEADHM C[C@H](CC(=O)[O-])NC1(c2cccc(F)c2)CC1 ZINC000820072369 587017532 /nfs/dbraw/zinc/01/75/32/587017532.db2.gz QGEHKVLODKBUSP-SECBINFHSA-N -1 3 237.274 2.268 20 0 BEADHM CC[C@@H](N[C@@H](C)CC(=O)[O-])c1c(C)noc1C ZINC000820285325 587041045 /nfs/dbraw/zinc/04/10/45/587041045.db2.gz ZDLVMTBRWXNAJY-OIBJUYFYSA-N -1 3 240.303 2.195 20 0 BEADHM CC[C@@H](N[C@H](C)c1cccc(F)c1F)C(=O)[O-] ZINC000820419351 587047484 /nfs/dbraw/zinc/04/74/84/587047484.db2.gz YAWQDQFSINKRNA-GMSGAONNSA-N -1 3 243.253 2.479 20 0 BEADHM CC[C@H](C)[C@H](NC/C(Cl)=C/Cl)C(=O)[O-] ZINC000820465679 587050420 /nfs/dbraw/zinc/05/04/20/587050420.db2.gz PMHHGXUEMRXLPZ-QFKPWTNMSA-N -1 3 240.130 2.394 20 0 BEADHM O=C(C[C@H]1CCCC1(F)F)[N-]OCC1CC1 ZINC000820485256 587051206 /nfs/dbraw/zinc/05/12/06/587051206.db2.gz ZWPPJFZTPAEEGT-SECBINFHSA-N -1 3 233.258 2.270 20 0 BEADHM CC[C@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000820862641 587078017 /nfs/dbraw/zinc/07/80/17/587078017.db2.gz QVXZRRKTHUMGCO-DTWKUNHWSA-N -1 3 246.318 2.108 20 0 BEADHM CC[C@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000820862641 587078020 /nfs/dbraw/zinc/07/80/20/587078020.db2.gz QVXZRRKTHUMGCO-DTWKUNHWSA-N -1 3 246.318 2.108 20 0 BEADHM CC[C@@H](C)CSc1cc(-c2nnn[n-]2)ccn1 ZINC000820869335 587078727 /nfs/dbraw/zinc/07/87/27/587078727.db2.gz GQFUCJJOMCBFRT-MRVPVSSYSA-N -1 3 249.343 2.400 20 0 BEADHM CC[C@@H](C)CSc1cc(-c2nn[n-]n2)ccn1 ZINC000820869335 587078729 /nfs/dbraw/zinc/07/87/29/587078729.db2.gz GQFUCJJOMCBFRT-MRVPVSSYSA-N -1 3 249.343 2.400 20 0 BEADHM CC[C@H](C)CSc1ncccc1-c1nnn[n-]1 ZINC000820868595 587078801 /nfs/dbraw/zinc/07/88/01/587078801.db2.gz AXLCATLZCSVXAV-QMMMGPOBSA-N -1 3 249.343 2.400 20 0 BEADHM CC[C@H](C)CSc1ncccc1-c1nn[n-]n1 ZINC000820868595 587078802 /nfs/dbraw/zinc/07/88/02/587078802.db2.gz AXLCATLZCSVXAV-QMMMGPOBSA-N -1 3 249.343 2.400 20 0 BEADHM Cc1ccc2c(c1C)OC[C@H]2N[C@H](C)CC(=O)[O-] ZINC000821103884 587096347 /nfs/dbraw/zinc/09/63/47/587096347.db2.gz TUUWWNOVSMRLEV-BXKDBHETSA-N -1 3 249.310 2.190 20 0 BEADHM Cc1cccc(F)c1CN[C@H](C)CC(=O)[O-] ZINC000821112411 587096624 /nfs/dbraw/zinc/09/66/24/587096624.db2.gz ZHDPUTGPJJWVDX-SECBINFHSA-N -1 3 225.263 2.087 20 0 BEADHM Cc1cc(NC(=O)[N-]OCC2CCC2)sn1 ZINC000821560247 587128232 /nfs/dbraw/zinc/12/82/32/587128232.db2.gz JPLKCHFMMXPBHL-UHFFFAOYSA-N -1 3 241.316 2.305 20 0 BEADHM Cc1c(NCC(C)C)cccc1-c1nnn[n-]1 ZINC000822121366 587154872 /nfs/dbraw/zinc/15/48/72/587154872.db2.gz FRZRYYHLKHQBOH-UHFFFAOYSA-N -1 3 231.303 2.243 20 0 BEADHM Cc1c(NCC(C)C)cccc1-c1nn[n-]n1 ZINC000822121366 587154873 /nfs/dbraw/zinc/15/48/73/587154873.db2.gz FRZRYYHLKHQBOH-UHFFFAOYSA-N -1 3 231.303 2.243 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(C)C ZINC000822221169 587159001 /nfs/dbraw/zinc/15/90/01/587159001.db2.gz DEMPLXVFNKRCMK-UHFFFAOYSA-N -1 3 232.287 2.210 20 0 BEADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(C)C ZINC000822221169 587159002 /nfs/dbraw/zinc/15/90/02/587159002.db2.gz DEMPLXVFNKRCMK-UHFFFAOYSA-N -1 3 232.287 2.210 20 0 BEADHM Clc1cccc(-c2nnn[n-]2)c1NC1CCC1 ZINC000822581410 587176230 /nfs/dbraw/zinc/17/62/30/587176230.db2.gz HTPZEGNDTAMKQY-UHFFFAOYSA-N -1 3 249.705 2.485 20 0 BEADHM Clc1cccc(-c2nn[n-]n2)c1NC1CCC1 ZINC000822581410 587176231 /nfs/dbraw/zinc/17/62/31/587176231.db2.gz HTPZEGNDTAMKQY-UHFFFAOYSA-N -1 3 249.705 2.485 20 0 BEADHM FC(F)CSc1cccc(-c2nnn[n-]2)c1 ZINC000822733135 587182866 /nfs/dbraw/zinc/18/28/66/587182866.db2.gz QWXJZSCQYOGTFI-UHFFFAOYSA-N -1 3 242.254 2.224 20 0 BEADHM FC(F)CSc1cccc(-c2nn[n-]n2)c1 ZINC000822733135 587182869 /nfs/dbraw/zinc/18/28/69/587182869.db2.gz QWXJZSCQYOGTFI-UHFFFAOYSA-N -1 3 242.254 2.224 20 0 BEADHM CC[C@@H]1CCC[C@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000822925072 587193624 /nfs/dbraw/zinc/19/36/24/587193624.db2.gz WSEYUKQPZONDHU-UTUOFQBUSA-N -1 3 241.331 2.387 20 0 BEADHM CCc1n[n-]c(Cl)c1C(=O)OC[C@@H]1C[C@@H]1C ZINC000860221169 589090441 /nfs/dbraw/zinc/09/04/41/589090441.db2.gz FEZSTROKNFEHAT-BQBZGAKWSA-N -1 3 242.706 2.438 20 0 BEADHM CCc1[n-]nc(Cl)c1C(=O)OC[C@@H]1C[C@@H]1C ZINC000860221169 589090442 /nfs/dbraw/zinc/09/04/42/589090442.db2.gz FEZSTROKNFEHAT-BQBZGAKWSA-N -1 3 242.706 2.438 20 0 BEADHM CC(C)CCCNc1cnccc1-c1nnn[n-]1 ZINC000824244498 587262951 /nfs/dbraw/zinc/26/29/51/587262951.db2.gz RWPSADMMTRITSG-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CC(C)CCCNc1cnccc1-c1nn[n-]n1 ZINC000824244498 587262952 /nfs/dbraw/zinc/26/29/52/587262952.db2.gz RWPSADMMTRITSG-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CC(C)ON=C([O-])Nc1ccc(C(F)F)nc1 ZINC000824788368 587287743 /nfs/dbraw/zinc/28/77/43/587287743.db2.gz DPNSOQXIVQNJPK-UHFFFAOYSA-N -1 3 245.229 2.481 20 0 BEADHM CC(C)O[N-]C(=O)Nc1ccc(C(F)F)nc1 ZINC000824788368 587287744 /nfs/dbraw/zinc/28/77/44/587287744.db2.gz DPNSOQXIVQNJPK-UHFFFAOYSA-N -1 3 245.229 2.481 20 0 BEADHM CC1=CCN(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824859854 587290452 /nfs/dbraw/zinc/29/04/52/587290452.db2.gz RCKXUZLCRJGBMI-UHFFFAOYSA-N -1 3 241.298 2.023 20 0 BEADHM CC1=CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824859854 587290454 /nfs/dbraw/zinc/29/04/54/587290454.db2.gz RCKXUZLCRJGBMI-UHFFFAOYSA-N -1 3 241.298 2.023 20 0 BEADHM CC[C@@H](C)CON=C([O-])Nc1ccn(CC)n1 ZINC000824956540 587294724 /nfs/dbraw/zinc/29/47/24/587294724.db2.gz JOADQAYNZLCKGV-SECBINFHSA-N -1 3 240.307 2.002 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccn(CC)n1 ZINC000824956540 587294726 /nfs/dbraw/zinc/29/47/26/587294726.db2.gz JOADQAYNZLCKGV-SECBINFHSA-N -1 3 240.307 2.002 20 0 BEADHM CCC[C@@H](CC)Nc1cnccc1-c1nnn[n-]1 ZINC000825242641 587310833 /nfs/dbraw/zinc/31/08/33/587310833.db2.gz XHEHFMIZEIIHQF-SECBINFHSA-N -1 3 246.318 2.252 20 0 BEADHM CCC[C@@H](CC)Nc1cnccc1-c1nn[n-]n1 ZINC000825242641 587310834 /nfs/dbraw/zinc/31/08/34/587310834.db2.gz XHEHFMIZEIIHQF-SECBINFHSA-N -1 3 246.318 2.252 20 0 BEADHM CCCCCNc1nccc(C)c1-c1nnn[n-]1 ZINC000825275832 587312126 /nfs/dbraw/zinc/31/21/26/587312126.db2.gz CQTXBHKOVOOODD-UHFFFAOYSA-N -1 3 246.318 2.172 20 0 BEADHM CCCCCNc1nccc(C)c1-c1nn[n-]n1 ZINC000825275832 587312128 /nfs/dbraw/zinc/31/21/28/587312128.db2.gz CQTXBHKOVOOODD-UHFFFAOYSA-N -1 3 246.318 2.172 20 0 BEADHM CCCCCn1cc(C)c(-c2nnn[n-]2)c1 ZINC000825276101 587312446 /nfs/dbraw/zinc/31/24/46/587312446.db2.gz PPCGQWUGCAWNMD-UHFFFAOYSA-N -1 3 219.292 2.167 20 0 BEADHM CCCCCn1cc(C)c(-c2nn[n-]n2)c1 ZINC000825276101 587312448 /nfs/dbraw/zinc/31/24/48/587312448.db2.gz PPCGQWUGCAWNMD-UHFFFAOYSA-N -1 3 219.292 2.167 20 0 BEADHM C[C@@H](N[C@@H]1CCN(C(=O)[O-])C1)c1cccs1 ZINC000825478347 587320653 /nfs/dbraw/zinc/32/06/53/587320653.db2.gz GCXBQCGWDNFIPP-RKDXNWHRSA-N -1 3 240.328 2.151 20 0 BEADHM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccoc1 ZINC000825479746 587320696 /nfs/dbraw/zinc/32/06/96/587320696.db2.gz QEPFWXSUHQLSNG-ONGXEEELSA-N -1 3 238.287 2.073 20 0 BEADHM CC(C)[C@H](CN[C@@H](C)c1ccco1)NC(=O)[O-] ZINC000825484512 587320813 /nfs/dbraw/zinc/32/08/13/587320813.db2.gz IOSBRSYFRPCHIL-UWVGGRQHSA-N -1 3 240.303 2.222 20 0 BEADHM C[C@@H](NCCN(C)C(=O)[O-])c1ccc(F)cc1 ZINC000825495764 587321456 /nfs/dbraw/zinc/32/14/56/587321456.db2.gz JABYOXGXMICONT-SECBINFHSA-N -1 3 240.278 2.086 20 0 BEADHM C[C@@H](c1ccccc1)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825637730 587328640 /nfs/dbraw/zinc/32/86/40/587328640.db2.gz GJBMPBITBGTIFG-WCQYABFASA-N -1 3 248.326 2.432 20 0 BEADHM CCSCCNc1cccc(-c2nnn[n-]2)c1 ZINC000825675209 587331010 /nfs/dbraw/zinc/33/10/10/587331010.db2.gz ZRZRZKBLJZXDFN-UHFFFAOYSA-N -1 3 249.343 2.032 20 0 BEADHM CCSCCNc1cccc(-c2nn[n-]n2)c1 ZINC000825675209 587331012 /nfs/dbraw/zinc/33/10/12/587331012.db2.gz ZRZRZKBLJZXDFN-UHFFFAOYSA-N -1 3 249.343 2.032 20 0 BEADHM C/C(=C\CN1CCC[C@@H]1c1cccn1C)C(=O)[O-] ZINC000825741500 587335344 /nfs/dbraw/zinc/33/53/44/587335344.db2.gz OLHPOPVNZRRXQZ-SVTZGKHISA-N -1 3 248.326 2.193 20 0 BEADHM C/C(=C/CN1CCC[C@@H]1c1ccccn1)C(=O)[O-] ZINC000825741597 587335599 /nfs/dbraw/zinc/33/55/99/587335599.db2.gz QFGBHYJGWZMMHR-LWMSPQMPSA-N -1 3 246.310 2.249 20 0 BEADHM C/C(=C/CN1CC[C@@H]1Cc1ccccc1)C(=O)[O-] ZINC000825736220 587335900 /nfs/dbraw/zinc/33/59/00/587335900.db2.gz WJBLDFYAXXBFPE-YRBHFNIASA-N -1 3 245.322 2.334 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)cc1NCC1CCC1 ZINC000826278927 587352019 /nfs/dbraw/zinc/35/20/19/587352019.db2.gz YXLAHNHRIXCQND-UHFFFAOYSA-N -1 3 243.314 2.387 20 0 BEADHM Cc1ccc(-c2nn[n-]n2)cc1NCC1CCC1 ZINC000826278927 587352020 /nfs/dbraw/zinc/35/20/20/587352020.db2.gz YXLAHNHRIXCQND-UHFFFAOYSA-N -1 3 243.314 2.387 20 0 BEADHM CCC[C@H]1C[C@@H]1NCc1ccc(NC(=O)[O-])nc1 ZINC000826774252 587362038 /nfs/dbraw/zinc/36/20/38/587362038.db2.gz DXMWTQPXIOZBSD-QWRGUYRKSA-N -1 3 249.314 2.450 20 0 BEADHM Cc1ccc(F)c(CC(=O)[N-]OCC(C)C)c1 ZINC000827213078 587372969 /nfs/dbraw/zinc/37/29/69/587372969.db2.gz JIWUGHZEOXVKLP-UHFFFAOYSA-N -1 3 239.290 2.380 20 0 BEADHM C[C@H]1CCC[C@@]1(C)C(=O)[N-]OCc1cccnc1 ZINC000827501434 587383985 /nfs/dbraw/zinc/38/39/85/587383985.db2.gz QQMMVWNEHJWOTB-SMDDNHRTSA-N -1 3 248.326 2.456 20 0 BEADHM C[C@@]1(C(=O)[N-]OCc2cccnc2)CC=CCC1 ZINC000827500992 587384305 /nfs/dbraw/zinc/38/43/05/587384305.db2.gz BJEFVQLFCLYRDR-CQSZACIVSA-N -1 3 246.310 2.376 20 0 BEADHM Fc1cccc(C[N-]c2nc(C3CCC3)no2)n1 ZINC000827797793 587402351 /nfs/dbraw/zinc/40/23/51/587402351.db2.gz HVGDHNZFYZJUTM-UHFFFAOYSA-N -1 3 248.261 2.483 20 0 BEADHM CCCO[N-]C(=O)Nc1ccccc1OC ZINC000828222339 587425098 /nfs/dbraw/zinc/42/50/98/587425098.db2.gz WZWTYLPPIWYFFR-UHFFFAOYSA-N -1 3 224.260 2.158 20 0 BEADHM CCCON=C([O-])Nc1ccccc1F ZINC000828222356 587425471 /nfs/dbraw/zinc/42/54/71/587425471.db2.gz XWSGTXABIOXUPS-UHFFFAOYSA-N -1 3 212.224 2.289 20 0 BEADHM CCCO[N-]C(=O)Nc1ccccc1F ZINC000828222356 587425472 /nfs/dbraw/zinc/42/54/72/587425472.db2.gz XWSGTXABIOXUPS-UHFFFAOYSA-N -1 3 212.224 2.289 20 0 BEADHM CCCO[N-]C(=O)Nc1cc(F)cc(F)c1 ZINC000828231899 587426545 /nfs/dbraw/zinc/42/65/45/587426545.db2.gz DUJWRGKIRYGKMH-UHFFFAOYSA-N -1 3 230.214 2.428 20 0 BEADHM CCN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000829608516 587505699 /nfs/dbraw/zinc/50/56/99/587505699.db2.gz KRSSXPMTJWRXEB-SNVBAGLBSA-N -1 3 247.216 2.181 20 0 BEADHM Cc1ccc([C@H](C)NCCN(C)C(=O)[O-])s1 ZINC000830255580 587543721 /nfs/dbraw/zinc/54/37/21/587543721.db2.gz CQHHUNZOWPNDHF-VIFPVBQESA-N -1 3 242.344 2.317 20 0 BEADHM Cc1ccc(CN2CCC[C@H]2CNC(=O)[O-])cc1 ZINC000830307694 587545465 /nfs/dbraw/zinc/54/54/65/587545465.db2.gz DUEBHVRNYZHGOH-ZDUSSCGKSA-N -1 3 248.326 2.227 20 0 BEADHM Cc1cccc([C@@H](C)NCCN(C)C(=O)[O-])c1 ZINC000830471748 587552974 /nfs/dbraw/zinc/55/29/74/587552974.db2.gz JWFPQULDUHPCDY-LLVKDONJSA-N -1 3 236.315 2.255 20 0 BEADHM Cc1cccc(CN2CC[C@H](N(C)C(=O)[O-])C2)c1 ZINC000830498177 587554504 /nfs/dbraw/zinc/55/45/04/587554504.db2.gz NOUWPWDSJRWDGU-ZDUSSCGKSA-N -1 3 248.326 2.179 20 0 BEADHM CC(C)CO[N-]C(=O)CCCc1cccnc1 ZINC000830893691 587576085 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O=C(C[C@@H]1C=CCCC1)NCc1cncc([O-])c1 ZINC000886276469 592196187 /nfs/dbraw/zinc/19/61/87/592196187.db2.gz JXMBLHREMFPSAQ-LLVKDONJSA-N -1 3 246.310 2.150 20 0 BEADHM CC[C@@H](C)[C@H](C)C(=O)NCc1cncc([O-])c1 ZINC000886276603 592196388 /nfs/dbraw/zinc/19/63/88/592196388.db2.gz NNNQBLUWIPFHDE-ZJUUUORDSA-N -1 3 236.315 2.086 20 0 BEADHM CCCC[C@H](C)C(=O)NCc1cncc([O-])c1 ZINC000886276398 592196475 /nfs/dbraw/zinc/19/64/75/592196475.db2.gz IDCKGPIPBPXLAH-JTQLQIEISA-N -1 3 236.315 2.230 20 0 BEADHM CCCCCCC(=O)NCc1cncc([O-])c1 ZINC000886281592 592199373 /nfs/dbraw/zinc/19/93/73/592199373.db2.gz DANODGXEJDGCOO-UHFFFAOYSA-N -1 3 236.315 2.374 20 0 BEADHM Cc1[n-]n(C2CCSCC2)c(=O)c1C1CC1 ZINC000887293210 592478520 /nfs/dbraw/zinc/47/85/20/592478520.db2.gz WTMDNQDFWQTGRY-NSHDSACASA-N -1 3 238.356 2.126 20 0 BEADHM O=C(CCC1CC1)[N-]OCCOc1ccccc1 ZINC000889448273 592612407 /nfs/dbraw/zinc/61/24/07/592612407.db2.gz XLLMOBKKTSLNSY-UHFFFAOYSA-N -1 3 249.310 2.303 20 0 BEADHM CCCON=C([O-])Nc1nn(CC)cc1Cl ZINC000889574935 592620424 /nfs/dbraw/zinc/62/04/24/592620424.db2.gz YFOFPDLEBFOIFA-UHFFFAOYSA-N -1 3 246.698 2.020 20 0 BEADHM CCCO[N-]C(=O)Nc1nn(CC)cc1Cl ZINC000889574935 592620425 /nfs/dbraw/zinc/62/04/25/592620425.db2.gz YFOFPDLEBFOIFA-UHFFFAOYSA-N -1 3 246.698 2.020 20 0 BEADHM CC(C)Sc1ccccc1-c1nnn[n-]1 ZINC000095208813 599109216 /nfs/dbraw/zinc/10/92/16/599109216.db2.gz ZYHUCTUOVFVIBR-UHFFFAOYSA-N -1 3 220.301 2.367 20 0 BEADHM CC(C)Sc1ccccc1-c1nn[n-]n1 ZINC000095208813 599109218 /nfs/dbraw/zinc/10/92/18/599109218.db2.gz ZYHUCTUOVFVIBR-UHFFFAOYSA-N -1 3 220.301 2.367 20 0 BEADHM C[C@H](NCCC(=O)[O-])c1c(F)cccc1F ZINC000036892004 597240939 /nfs/dbraw/zinc/24/09/39/597240939.db2.gz KCWUROHSBMJVGI-ZETCQYMHSA-N -1 3 229.226 2.090 20 0 BEADHM C[C@@H](NCCCC(=O)[O-])c1c(F)cccc1F ZINC000037417578 597248559 /nfs/dbraw/zinc/24/85/59/597248559.db2.gz RPXUUNVIMWMTOM-MRVPVSSYSA-N -1 3 243.253 2.480 20 0 BEADHM Cc1nc([C@@H](C)N[C@H](C(=O)[O-])C(C)C)cs1 ZINC000043430771 598196445 /nfs/dbraw/zinc/19/64/45/598196445.db2.gz MRMGWCNKECJFKA-XCBNKYQSSA-N -1 3 242.344 2.211 20 0 BEADHM CC(C)CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000095199451 598629529 /nfs/dbraw/zinc/62/95/29/598629529.db2.gz BOKWLTFSRMYCSN-UHFFFAOYSA-N -1 3 235.266 2.074 20 0 BEADHM CC(C)CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000095199451 598629530 /nfs/dbraw/zinc/62/95/30/598629530.db2.gz BOKWLTFSRMYCSN-UHFFFAOYSA-N -1 3 235.266 2.074 20 0 BEADHM c1coc(CNc2ccccc2-c2nnn[n-]2)c1 ZINC000095236942 599313080 /nfs/dbraw/zinc/31/30/80/599313080.db2.gz DMAFEURKSKKYLK-UHFFFAOYSA-N -1 3 241.254 2.072 20 0 BEADHM c1coc(CNc2ccccc2-c2nn[n-]n2)c1 ZINC000095236942 599313083 /nfs/dbraw/zinc/31/30/83/599313083.db2.gz DMAFEURKSKKYLK-UHFFFAOYSA-N -1 3 241.254 2.072 20 0 BEADHM Clc1ccc(-c2nnn[n-]2)c(NC2CCC2)c1 ZINC000095153499 599432633 /nfs/dbraw/zinc/43/26/33/599432633.db2.gz NBOOUDYAEKUHIP-UHFFFAOYSA-N -1 3 249.705 2.485 20 0 BEADHM Clc1ccc(-c2nn[n-]n2)c(NC2CCC2)c1 ZINC000095153499 599432635 /nfs/dbraw/zinc/43/26/35/599432635.db2.gz NBOOUDYAEKUHIP-UHFFFAOYSA-N -1 3 249.705 2.485 20 0 BEADHM CC[C@H](C)Sc1cc(-c2nnn[n-]2)ccn1 ZINC000095275575 599521777 /nfs/dbraw/zinc/52/17/77/599521777.db2.gz SYFFCSHYLUDJHT-ZETCQYMHSA-N -1 3 235.316 2.152 20 0 BEADHM CC[C@H](C)Sc1cc(-c2nn[n-]n2)ccn1 ZINC000095275575 599521779 /nfs/dbraw/zinc/52/17/79/599521779.db2.gz SYFFCSHYLUDJHT-ZETCQYMHSA-N -1 3 235.316 2.152 20 0 BEADHM O=C([O-])c1cccc(CNCc2ccncc2)c1 ZINC000041582241 601574859 /nfs/dbraw/zinc/57/48/59/601574859.db2.gz DKRYQPJHKOZRHJ-UHFFFAOYSA-N -1 3 242.278 2.070 20 0 BEADHM CC(C)=CCN1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738760503 601976132 /nfs/dbraw/zinc/97/61/32/601976132.db2.gz SSFSXQQVLNXTRN-LLVKDONJSA-N -1 3 226.320 2.027 20 0 BEADHM CC(C)C[C@@H](CNC(=O)[O-])NCc1ccoc1 ZINC000738813011 602571344 /nfs/dbraw/zinc/57/13/44/602571344.db2.gz WLPXKNHSPRXZMF-NSHDSACASA-N -1 3 240.303 2.052 20 0 BEADHM C[C@H](CCNCc1ccc(Cl)o1)NC(=O)[O-] ZINC000738906124 602650335 /nfs/dbraw/zinc/65/03/35/602650335.db2.gz MYBYODARVDOKGS-SSDOTTSWSA-N -1 3 246.694 2.069 20 0 BEADHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[O-] ZINC000740155713 602663516 /nfs/dbraw/zinc/66/35/16/602663516.db2.gz ULTCGEQPBXRUJO-DGCLKSJQSA-N -1 3 246.310 2.281 20 0 BEADHM O=C([O-])N1CC[C@H](CN2Cc3ccccc3C2)C1 ZINC000740503000 603341605 /nfs/dbraw/zinc/34/16/05/603341605.db2.gz IWBYNOISQSALRM-LLVKDONJSA-N -1 3 246.310 2.002 20 0 BEADHM CCOCCN(C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000158032869 605057193 /nfs/dbraw/zinc/05/71/93/605057193.db2.gz WFHKIWBALZFHNK-VIFPVBQESA-N -1 3 241.287 2.007 20 0 BEADHM C[C@H]1CC[C@@H](Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000083829005 608867558 /nfs/dbraw/zinc/86/75/58/608867558.db2.gz YYSQUFASZXJJSH-JOYOIKCWSA-N -1 3 243.314 2.467 20 0 BEADHM C[C@H]1CC[C@@H](Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000083829005 608867559 /nfs/dbraw/zinc/86/75/59/608867559.db2.gz YYSQUFASZXJJSH-JOYOIKCWSA-N -1 3 243.314 2.467 20 0 BEADHM Cc1nc(N2CC3(CCC3)C[C@@H]2C)cc(=O)[n-]1 ZINC000893496991 634533634 /nfs/dbraw/zinc/53/36/34/634533634.db2.gz FZZSHOHWWPGAGJ-VIFPVBQESA-N -1 3 233.315 2.260 20 0 BEADHM CCCC1(CNCc2cc(C(=O)[O-])no2)CC1 ZINC000232980616 635521537 /nfs/dbraw/zinc/52/15/37/635521537.db2.gz MPKHFVULDPXRRH-UHFFFAOYSA-N -1 3 238.287 2.043 20 0 BEADHM C[C@H]1CN(c2cc(=O)[n-]cn2)Cc2ccccc21 ZINC000891518185 631383395 /nfs/dbraw/zinc/38/33/95/631383395.db2.gz GKFOMLRSWYWGAJ-JTQLQIEISA-N -1 3 241.294 2.306 20 0 BEADHM Cc1cc(CN2CCC[C@]2(C)C(=O)[O-])cs1 ZINC000309251383 632843885 /nfs/dbraw/zinc/84/38/85/632843885.db2.gz BKBWKZUMLOUUML-GFCCVEGCSA-N -1 3 239.340 2.496 20 0 BEADHM Cc1[n-]n(C2CCCC2)c(=O)c1C(C)C ZINC000108373751 633110331 /nfs/dbraw/zinc/11/03/31/633110331.db2.gz SWCVYRNGUKXKMC-LLVKDONJSA-N -1 3 208.305 2.419 20 0 BEADHM O=C(C[C@@H]1CCCOC1)[N-]OCc1ccccc1 ZINC000195068708 634348423 /nfs/dbraw/zinc/34/84/23/634348423.db2.gz OBNOQLRIPJEPPU-ZDUSSCGKSA-N -1 3 249.310 2.051 20 0 BEADHM C[C@@H]1CC[C@@H](CC(=O)[N-]OCc2ccccn2)C1 ZINC000909538689 636232571 /nfs/dbraw/zinc/23/25/71/636232571.db2.gz MGZPEWQGGKVKJI-VXGBXAGGSA-N -1 3 248.326 2.456 20 0 BEADHM CC1(C)C(C(=O)[N-]OCc2ccccn2)C1(C)C ZINC000909537141 636232839 /nfs/dbraw/zinc/23/28/39/636232839.db2.gz VCXRJALVVCDVBI-UHFFFAOYSA-N -1 3 248.326 2.312 20 0 BEADHM C[C@]1(C(=O)[N-]OCc2ccccn2)CC=CCC1 ZINC000909544888 636241141 /nfs/dbraw/zinc/24/11/41/636241141.db2.gz SUCXOGBZYBHTDS-AWEZNQCLSA-N -1 3 246.310 2.376 20 0 BEADHM Cc1cccc(CO[N-]C(=O)C2(C3CC3)CC2)n1 ZINC000898929806 637067013 /nfs/dbraw/zinc/06/70/13/637067013.db2.gz ZUDJSGGIENWIRD-UHFFFAOYSA-N -1 3 246.310 2.128 20 0 BEADHM CC(C)c1nn(C)cc1-c1ccc(=O)[n-]c1F ZINC000904800644 637491693 /nfs/dbraw/zinc/49/16/93/637491693.db2.gz ZRTGBVIYAZJEQC-UHFFFAOYSA-N -1 3 235.262 2.450 20 0 BEADHM Cc1nc(C)c(C=Cc2nc(C)cc(=O)[n-]2)o1 ZINC000905075100 637607196 /nfs/dbraw/zinc/60/71/96/637607196.db2.gz SUGHLVXPWINBQR-PLNGDYQASA-N -1 3 231.255 2.266 20 0 BEADHM CC(C)c1c[n-]c(S(=O)(=O)C/C=C\Cl)n1 ZINC000905277027 637733552 /nfs/dbraw/zinc/73/35/52/637733552.db2.gz YNVQOXFGXXUTFG-ARJAWSKDSA-N -1 3 248.735 2.059 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CC[C@H]1C1CC1 ZINC000908558300 639014637 /nfs/dbraw/zinc/01/46/37/639014637.db2.gz WVCSPHPOKOMAST-JTQLQIEISA-N -1 3 247.294 2.025 20 0 BEADHM CCC1([N-]C(=O)C(F)(F)C(F)F)CCC1 ZINC000226699135 640790149 /nfs/dbraw/zinc/79/01/49/640790149.db2.gz GCGUCWBLXDCZJN-UHFFFAOYSA-N -1 3 227.201 2.336 20 0 BEADHM O=C(c1ccccc1[O-])N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000170190421 640891268 /nfs/dbraw/zinc/89/12/68/640891268.db2.gz WHHGMBZUSMINFH-TXEJJXNPSA-N -1 3 243.306 2.430 20 0 BEADHM CO[N-]C(=O)C[C@H](c1ccccc1)C(C)C ZINC000062329927 641040628 /nfs/dbraw/zinc/04/06/28/641040628.db2.gz JGSSBRXGWBRJBZ-LBPRGKRZSA-N -1 3 221.300 2.494 20 0 BEADHM O=C(C[C@@H]1CC=CCC1)Nc1ncccc1[O-] ZINC000935336870 641388778 /nfs/dbraw/zinc/38/87/78/641388778.db2.gz PWJAWISCJIUOME-SNVBAGLBSA-N -1 3 232.283 2.472 20 0 BEADHM O=C(Nc1ncccc1[O-])[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000935337308 641389722 /nfs/dbraw/zinc/38/97/22/641389722.db2.gz XQSHMDLOALFKNY-UFSYXXTASA-N -1 3 244.294 2.018 20 0 BEADHM C[C@]1(C(=O)Nc2ncccc2[O-])C=CCC1 ZINC000935336323 641389738 /nfs/dbraw/zinc/38/97/38/641389738.db2.gz LVSSSRJPBORKND-LBPRGKRZSA-N -1 3 218.256 2.082 20 0 BEADHM CO[N-]C(=O)CCSc1ccc(C)cc1 ZINC000042003345 641547701 /nfs/dbraw/zinc/54/77/01/641547701.db2.gz XXXHZDJGPGUYMT-UHFFFAOYSA-N -1 3 225.313 2.155 20 0 BEADHM Cc1ccc(COC(=O)c2cncc([O-])c2)cc1 ZINC000731915937 641820882 /nfs/dbraw/zinc/82/08/82/641820882.db2.gz NYGBPXXTGGDFGZ-UHFFFAOYSA-N -1 3 243.262 2.453 20 0 BEADHM CO[N-]C(=O)Cc1csc2ccccc12 ZINC000916148546 641913423 /nfs/dbraw/zinc/91/34/23/641913423.db2.gz APMVMEVFBGQIEO-UHFFFAOYSA-N -1 3 221.281 2.121 20 0 BEADHM Cc1[n-]n(Cc2ccc(F)c(F)c2)c(=O)c1F ZINC000917345971 642045266 /nfs/dbraw/zinc/04/52/66/642045266.db2.gz SYEWQOZLWUXOAT-JTQLQIEISA-N -1 3 242.200 2.021 20 0 BEADHM CO[N-]C(=O)Cc1ccc(Cl)cc1Cl ZINC000070267299 642427687 /nfs/dbraw/zinc/42/76/87/642427687.db2.gz WZLHRBQXUNOBSM-UHFFFAOYSA-N -1 3 234.082 2.214 20 0 BEADHM O=C(/C=C\c1ccccc1)Nc1ncccc1[O-] ZINC000255568078 642455483 /nfs/dbraw/zinc/45/54/83/642455483.db2.gz DNPWUAHKGJWIMS-HJWRWDBZSA-N -1 3 240.262 2.439 20 0 BEADHM CCCCC[C@@H](C)NCc1cc(C(=O)[O-])no1 ZINC000232965340 642640454 /nfs/dbraw/zinc/64/04/54/642640454.db2.gz YLOBGOBTBHVHER-SECBINFHSA-N -1 3 240.303 2.431 20 0 BEADHM CCC[C@@H]1C[C@H]1NCc1cc(C(=O)[O-])co1 ZINC000233307102 642661149 /nfs/dbraw/zinc/66/11/49/642661149.db2.gz QCLKAYILAKIKOZ-LDYMZIIASA-N -1 3 223.272 2.256 20 0 BEADHM CCOCCO[N-]C(=O)CCC1CCCCC1 ZINC000181630725 642891206 /nfs/dbraw/zinc/89/12/06/642891206.db2.gz KMSBGSJYQBYMLA-UHFFFAOYSA-N -1 3 243.347 2.431 20 0 BEADHM CCc1ccc(C(=O)N2CC[C@H]3C[C@H]3C2)c([O-])c1 ZINC000619369690 643038217 /nfs/dbraw/zinc/03/82/17/643038217.db2.gz VMTKTQSZEKJMDD-RYUDHWBXSA-N -1 3 245.322 2.437 20 0 BEADHM O=C([N-]CCC1CCCC1)C(F)(F)F ZINC000082367679 643305168 /nfs/dbraw/zinc/30/51/68/643305168.db2.gz JKSSUUSJLRYOLS-UHFFFAOYSA-N -1 3 209.211 2.245 20 0 BEADHM CCCO[N-]C(=O)C[C@@H]1CCC[C@H](OC)C1 ZINC000844086846 643383838 /nfs/dbraw/zinc/38/38/38/643383838.db2.gz BMCXDKUBENSECF-MNOVXSKESA-N -1 3 229.320 2.040 20 0 BEADHM O=C(Nc1ncccc1[O-])c1ccc(Cl)nc1 ZINC000198895677 643979607 /nfs/dbraw/zinc/97/96/07/643979607.db2.gz CZDLWQSZJFDYAE-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM C#C[C@H](C)/N=C/c1cc(Cl)ccc1[O-] ZINC000186847199 644150819 /nfs/dbraw/zinc/15/08/19/644150819.db2.gz RRPDOIDGZUTBIL-MTDSNMTDSA-N -1 3 207.660 2.486 20 0 BEADHM C[C@H]1CC[C@H](CC(=O)[N-]OCC(F)F)C1 ZINC000759337895 644640031 /nfs/dbraw/zinc/64/00/31/644640031.db2.gz OKQFJWOMNICRHI-YUMQZZPRSA-N -1 3 221.247 2.126 20 0 BEADHM O=C(NCCC1CCC1)c1c([O-])cccc1O ZINC000092124495 644647514 /nfs/dbraw/zinc/64/75/14/644647514.db2.gz HJQDBZSWXKVVDN-UHFFFAOYSA-N -1 3 235.283 2.018 20 0 BEADHM C[C@H]1CC/C(=C\C(=O)NCc2ncccc2[O-])C1 ZINC000792611128 644799822 /nfs/dbraw/zinc/79/98/22/644799822.db2.gz XHPDNTJKRWTRJY-NGPGYTDTSA-N -1 3 246.310 2.150 20 0 BEADHM CC(C)(C(=O)[N-]OCC(F)(F)F)C1CC1 ZINC000807092269 644857663 /nfs/dbraw/zinc/85/76/63/644857663.db2.gz ALZSKOUVQHSBOH-UHFFFAOYSA-N -1 3 225.210 2.033 20 0 BEADHM Cc1sccc1CC(=O)[N-]OCC1CC1 ZINC000817354449 644973645 /nfs/dbraw/zinc/97/36/45/644973645.db2.gz NENQDRDCOQMQQI-UHFFFAOYSA-N -1 3 225.313 2.057 20 0 BEADHM C[C@@H](CC(=O)[N-]OCCC1CC1)c1ccncc1 ZINC000817403813 644979289 /nfs/dbraw/zinc/97/92/89/644979289.db2.gz PZTPEVGKILLLOQ-NSHDSACASA-N -1 3 248.326 2.423 20 0 BEADHM COC1(COC(=O)c2cc3occc3[n-]2)CCC1 ZINC000837683331 645204129 /nfs/dbraw/zinc/20/41/29/645204129.db2.gz ZMRRCIRFDRJBKX-UHFFFAOYSA-N -1 3 249.266 2.487 20 0 BEADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1ncccc1[O-] ZINC000867342497 645314147 /nfs/dbraw/zinc/31/41/47/645314147.db2.gz VVPNMHUOBRDANE-RKDXNWHRSA-N -1 3 234.299 2.408 20 0 BEADHM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000928043723 645688425 /nfs/dbraw/zinc/68/84/25/645688425.db2.gz ASBDTHUULFXABE-MVIOUDGNSA-N -1 3 239.212 2.048 20 0 BEADHM CCCO[N-]C(=O)Cc1cccc2cnccc21 ZINC000862102078 645694502 /nfs/dbraw/zinc/69/45/02/645694502.db2.gz DQRPDQUMGCLLLP-UHFFFAOYSA-N -1 3 244.294 2.235 20 0 BEADHM [O-]c1ccc(CNC2(C(F)F)CC2)cc1F ZINC000700157937 711986591 /nfs/dbraw/zinc/98/65/91/711986591.db2.gz AZJHMYGKHAOLKI-UHFFFAOYSA-N -1 3 231.217 2.419 20 0 BEADHM [O-]c1ccc(CN2CCC[C@H](F)C2)cc1F ZINC000701674766 712027301 /nfs/dbraw/zinc/02/73/01/712027301.db2.gz RPZNJCGNLYNVDT-JTQLQIEISA-N -1 3 227.254 2.465 20 0 BEADHM C[C@H](CC1CCC1)NCc1cc(C(=O)[O-])no1 ZINC000710192529 712248120 /nfs/dbraw/zinc/24/81/20/712248120.db2.gz ATRBTNPECALLDS-MRVPVSSYSA-N -1 3 238.287 2.041 20 0 BEADHM C[C@@H]1[C@H](C)OCCN1Cc1ccc([O-])c(F)c1 ZINC000380567429 712901656 /nfs/dbraw/zinc/90/16/56/712901656.db2.gz ZMAORICCVBRYEQ-ZJUUUORDSA-N -1 3 239.290 2.141 20 0 BEADHM CC1=CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000382490913 710971358 /nfs/dbraw/zinc/97/13/58/710971358.db2.gz DHMCQVSFMDLCLJ-UHFFFAOYSA-N -1 3 221.256 2.130 20 0 BEADHM O=C([O-])c1coc(CN[C@@H]2CC23CCCC3)c1 ZINC000387014884 711039349 /nfs/dbraw/zinc/03/93/49/711039349.db2.gz LKEKHQGQOBFADX-LLVKDONJSA-N -1 3 235.283 2.400 20 0 BEADHM CCSCCNCc1cc(C)c(C(=O)[O-])o1 ZINC000390509354 711122626 /nfs/dbraw/zinc/12/26/26/711122626.db2.gz YHOONZNIQMQHJV-UHFFFAOYSA-N -1 3 243.328 2.129 20 0 BEADHM Cc1nc(NC[C@@H]2CCCC2(F)F)cc(=O)[n-]1 ZINC000390884604 711135530 /nfs/dbraw/zinc/13/55/30/711135530.db2.gz ZPOQDJKOOSHGGJ-QMMMGPOBSA-N -1 3 243.257 2.338 20 0 BEADHM COCC(C)(C)c1noc(-c2ccccc2[O-])n1 ZINC000395472280 711211598 /nfs/dbraw/zinc/21/15/98/711211598.db2.gz KOPSFLNOPGUSTB-UHFFFAOYSA-N -1 3 248.282 2.366 20 0 BEADHM C[C@H]1CCCCN1Cc1cncc(C(=O)[O-])c1 ZINC000721537775 711619936 /nfs/dbraw/zinc/61/99/36/711619936.db2.gz COSWIORDIXLMHW-JTQLQIEISA-N -1 3 234.299 2.154 20 0 BEADHM CC1(C)CCCN(Cc2cncc(C(=O)[O-])c2)C1 ZINC000721547887 711622493 /nfs/dbraw/zinc/62/24/93/711622493.db2.gz NFALQZNTHVCHOX-UHFFFAOYSA-N -1 3 248.326 2.402 20 0 BEADHM CCC(CC)CC(=O)[N-]OCc1ccccn1 ZINC000909541453 711782547 /nfs/dbraw/zinc/78/25/47/711782547.db2.gz XMHPCBJDXACUIU-UHFFFAOYSA-N -1 3 236.315 2.456 20 0 BEADHM CC[C@@H](C)CCC(=O)[N-]OCc1ccccn1 ZINC000909541758 711782570 /nfs/dbraw/zinc/78/25/70/711782570.db2.gz MZVSLUFQHQQFGN-LLVKDONJSA-N -1 3 236.315 2.456 20 0 BEADHM CC1=CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000382493015 711841296 /nfs/dbraw/zinc/84/12/96/711841296.db2.gz GSPFHXUBXYYGNV-UHFFFAOYSA-N -1 3 221.256 2.130 20 0 BEADHM O=C([O-])c1coc(CN2CCCC3(CC3)C2)c1 ZINC000702588137 712055871 /nfs/dbraw/zinc/05/58/71/712055871.db2.gz QSBUXGPFSQXSIB-UHFFFAOYSA-N -1 3 235.283 2.354 20 0 BEADHM O=C([O-])c1ccc(CN2CCC[C@@H](CF)C2)o1 ZINC000711450190 712301880 /nfs/dbraw/zinc/30/18/80/712301880.db2.gz AJMSRMNKBVEKAL-VIFPVBQESA-N -1 3 241.262 2.159 20 0 BEADHM CC(C)O[N-]C(=O)Cc1c[nH]c2ccccc12 ZINC000379009730 712367527 /nfs/dbraw/zinc/36/75/27/712367527.db2.gz KOTMSIRMZBSHFZ-UHFFFAOYSA-N -1 3 232.283 2.167 20 0 BEADHM CCN=c1[n-]cc(C(=O)OC[C@H](C)CC)s1 ZINC000390613070 712421590 /nfs/dbraw/zinc/42/15/90/712421590.db2.gz FSMPACXMVVTJLQ-MRVPVSSYSA-N -1 3 242.344 2.200 20 0 BEADHM CC(F)(F)CCC(=O)[N-]OC1CCCC1 ZINC000713919919 712472611 /nfs/dbraw/zinc/47/26/11/712472611.db2.gz HXGNLVYGMICICI-UHFFFAOYSA-N -1 3 221.247 2.412 20 0 BEADHM O=C(NCCCCC1CC1)c1ccc(O)cc1[O-] ZINC000716378846 712557312 /nfs/dbraw/zinc/55/73/12/712557312.db2.gz KSVDQEIJMJULEV-UHFFFAOYSA-N -1 3 249.310 2.408 20 0 BEADHM O=c1cc(NCC[C@@H]2CC[C@@H]3C[C@@H]32)nc[n-]1 ZINC000717087884 712630217 /nfs/dbraw/zinc/63/02/17/712630217.db2.gz XTIZVHQDCRHKEW-IVZWLZJFSA-N -1 3 219.288 2.030 20 0 BEADHM Cc1ccc(C(=O)N[C@@H]2CC23CCC3)c([O-])c1 ZINC000721146015 712892660 /nfs/dbraw/zinc/89/26/60/712892660.db2.gz GCYBLKWCXXQUGH-GFCCVEGCSA-N -1 3 231.295 2.373 20 0 BEADHM C[C@]1(CF)CCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC001140944101 960733140 /nfs/dbraw/zinc/73/31/40/960733140.db2.gz QDWRKGGKRIMTEA-GFCCVEGCSA-N -1 3 241.262 2.159 20 0 BEADHM CO[C@@H](C)CN(C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000304569938 963151542 /nfs/dbraw/zinc/15/15/42/963151542.db2.gz HUEJGHOJGUIRBB-IUCAKERBSA-N -1 3 241.287 2.006 20 0 BEADHM CCC[C@H](C)NCc1ncc(C(=O)[O-])s1 ZINC000308895960 963316405 /nfs/dbraw/zinc/31/64/05/963316405.db2.gz IVLUSNVKSWVYOB-ZETCQYMHSA-N -1 3 228.317 2.120 20 0 BEADHM CC[C@@H](C)[C@@H](C)NCc1ncc(C(=O)[O-])s1 ZINC000309426142 963348165 /nfs/dbraw/zinc/34/81/65/963348165.db2.gz INTVCSWKWGRJDI-HTQZYQBOSA-N -1 3 242.344 2.366 20 0 BEADHM [O-]c1cc(F)c(Nc2cnoc2)cc1F ZINC001203244901 966580285 /nfs/dbraw/zinc/58/02/85/966580285.db2.gz KSOOBUWEHPEFJB-UHFFFAOYSA-N -1 3 212.155 2.402 20 0 BEADHM CC[C@H](Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000086118363 1165933290 /nfs/dbraw/zinc/93/32/90/1165933290.db2.gz KALACDTZZBEFHZ-LBPRGKRZSA-N -1 3 243.314 2.467 20 0 BEADHM CC[C@H](Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000086118363 1165933296 /nfs/dbraw/zinc/93/32/96/1165933296.db2.gz KALACDTZZBEFHZ-LBPRGKRZSA-N -1 3 243.314 2.467 20 0 BEADHM CC[C@@H](NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000075424085 1165999162 /nfs/dbraw/zinc/99/91/62/1165999162.db2.gz HJDVMPWDBIMZMJ-SNVBAGLBSA-N -1 3 245.681 2.432 20 0 BEADHM CC(C)S(=O)(=O)Nc1cccc([O-])c1Cl ZINC001252521630 968766597 /nfs/dbraw/zinc/76/65/97/968766597.db2.gz GXZDITXRADLZMG-UHFFFAOYSA-N -1 3 249.719 2.196 20 0 BEADHM CCC[C@H](O)CNc1ccc([O-])c(F)c1F ZINC001252788474 968965022 /nfs/dbraw/zinc/96/50/22/968965022.db2.gz YRNCQUAETUALQN-ZETCQYMHSA-N -1 3 231.242 2.243 20 0 BEADHM C[C@H](CC1CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000161841383 1166787278 /nfs/dbraw/zinc/78/72/78/1166787278.db2.gz QJIALNUYZHLROM-SECBINFHSA-N -1 3 243.314 2.467 20 0 BEADHM C[C@H](CC1CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000161841383 1166787284 /nfs/dbraw/zinc/78/72/84/1166787284.db2.gz QJIALNUYZHLROM-SECBINFHSA-N -1 3 243.314 2.467 20 0 BEADHM C[C@H]1CC[C@H]1Nc1cccc(-c2nnn[n-]2)c1 ZINC000383318654 1167120664 /nfs/dbraw/zinc/12/06/64/1167120664.db2.gz BVGPMRHFCMKHGT-GZMMTYOYSA-N -1 3 229.287 2.077 20 0 BEADHM C[C@H]1CC[C@H]1Nc1cccc(-c2nn[n-]n2)c1 ZINC000383318654 1167120666 /nfs/dbraw/zinc/12/06/66/1167120666.db2.gz BVGPMRHFCMKHGT-GZMMTYOYSA-N -1 3 229.287 2.077 20 0 BEADHM C[C@@H]1CC[C@@H]1Nc1cccc(-c2nnn[n-]2)c1 ZINC000383318655 1167120783 /nfs/dbraw/zinc/12/07/83/1167120783.db2.gz BVGPMRHFCMKHGT-KCJUWKMLSA-N -1 3 229.287 2.077 20 0 BEADHM C[C@@H]1CC[C@@H]1Nc1cccc(-c2nn[n-]n2)c1 ZINC000383318655 1167120789 /nfs/dbraw/zinc/12/07/89/1167120789.db2.gz BVGPMRHFCMKHGT-KCJUWKMLSA-N -1 3 229.287 2.077 20 0 BEADHM Cc1nc(O[C@@H]2CCC(F)(F)C2)c(C)c(=O)[n-]1 ZINC001229692142 976948937 /nfs/dbraw/zinc/94/89/37/976948937.db2.gz VKQALAHFZJINOW-MRVPVSSYSA-N -1 3 244.241 2.366 20 0 BEADHM CC(C)[C@@H](C)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230792976 977335933 /nfs/dbraw/zinc/33/59/33/977335933.db2.gz VHOADOJASHDYFJ-SSDOTTSWSA-N -1 3 240.328 2.254 20 0 BEADHM O=C([O-])c1ccc(CN2CCC[C@@H]3C[C@@H]32)s1 ZINC001231466344 977596918 /nfs/dbraw/zinc/59/69/18/977596918.db2.gz XHRVRBSLNKGYFN-SCZZXKLOSA-N -1 3 237.324 2.431 20 0 BEADHM O=C([O-])CCCCNCc1nc(Cl)cs1 ZINC001595046100 977924237 /nfs/dbraw/zinc/92/42/37/977924237.db2.gz QGLFGWJIEKPEGP-UHFFFAOYSA-N -1 3 248.735 2.141 20 0 BEADHM COC(C)(C)C[C@@H](C)Nc1nc(C)cc(=O)[n-]1 ZINC001337049629 978144389 /nfs/dbraw/zinc/14/43/89/978144389.db2.gz QPUKFAFPNCVDQC-SECBINFHSA-N -1 3 239.319 2.106 20 0 BEADHM C[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000386571072 1167715545 /nfs/dbraw/zinc/71/55/45/1167715545.db2.gz XLXPWGNGEXQWEE-VDDIYKPWSA-N -1 3 243.314 2.323 20 0 BEADHM C[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000386571072 1167715549 /nfs/dbraw/zinc/71/55/49/1167715549.db2.gz XLXPWGNGEXQWEE-VDDIYKPWSA-N -1 3 243.314 2.323 20 0 BEADHM C[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)c2)[C@@H]1C ZINC000386571066 1167715997 /nfs/dbraw/zinc/71/59/97/1167715997.db2.gz XLXPWGNGEXQWEE-KBVBSXBZSA-N -1 3 243.314 2.323 20 0 BEADHM C[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)c2)[C@@H]1C ZINC000386571066 1167716006 /nfs/dbraw/zinc/71/60/06/1167716006.db2.gz XLXPWGNGEXQWEE-KBVBSXBZSA-N -1 3 243.314 2.323 20 0 BEADHM CN(Cc1cc([O-])c(F)c(F)c1)C1CC1 ZINC001232971003 978377177 /nfs/dbraw/zinc/37/71/77/978377177.db2.gz QCKRYDQLCMOLHN-UHFFFAOYSA-N -1 3 213.227 2.265 20 0 BEADHM [O-]c1cnc(Cl)cc1CN1CCC[C@H]2C[C@H]21 ZINC001233038596 978421095 /nfs/dbraw/zinc/42/10/95/978421095.db2.gz WKPPEHITZACACJ-WCBMZHEXSA-N -1 3 238.718 2.425 20 0 BEADHM CC(C)(C)OCC(=O)Nc1ccc(F)c([O-])c1 ZINC001180323974 978865326 /nfs/dbraw/zinc/86/53/26/978865326.db2.gz UQOFILXAPIRQDS-UHFFFAOYSA-N -1 3 241.262 2.285 20 0 BEADHM COc1cc([O-])c(C)c(OC2CC2)c1C(C)=O ZINC001234791340 978903901 /nfs/dbraw/zinc/90/39/01/978903901.db2.gz NGAQSKLFWWTVQM-UHFFFAOYSA-N -1 3 236.267 2.453 20 0 BEADHM Cc1cc(=O)[n-]c(NCCCOC(C)(C)C)n1 ZINC001339773002 978909043 /nfs/dbraw/zinc/90/90/43/978909043.db2.gz CKAKHCRKFUEFRI-UHFFFAOYSA-N -1 3 239.319 2.108 20 0 BEADHM C=C/C=C\CCNc1nc(C)cc(=O)[n-]1 ZINC001339808484 978915960 /nfs/dbraw/zinc/91/59/60/978915960.db2.gz QRKGMSBALYQPOI-PLNGDYQASA-N -1 3 205.261 2.035 20 0 BEADHM O=C(Nc1ccc(F)c([O-])c1)[C@@H]1C[C@@]1(F)Cl ZINC001181663697 979230577 /nfs/dbraw/zinc/23/05/77/979230577.db2.gz FQNHIJRUEMZXOX-WKEGUHRASA-N -1 3 247.628 2.394 20 0 BEADHM C/C(=C/CN[C@H](C)c1cnc(C)s1)C(=O)[O-] ZINC001602975318 979355234 /nfs/dbraw/zinc/35/52/34/979355234.db2.gz LPDDADXCXQYQRR-RBMBQVQZSA-N -1 3 240.328 2.133 20 0 BEADHM CC[C@H](CN[C@H](C)c1cc(C(=O)[O-])co1)OC ZINC001605040558 979800900 /nfs/dbraw/zinc/80/09/00/979800900.db2.gz PFWOFGQYKTWOBA-PSASIEDQSA-N -1 3 241.287 2.053 20 0 BEADHM CCCOC1CN(Cc2occc2[S-])C1 ZINC001237178334 979830040 /nfs/dbraw/zinc/83/00/40/979830040.db2.gz JLRZMMHKWIZSTE-UHFFFAOYSA-N -1 3 227.329 2.179 20 0 BEADHM C[C@H]1CCN(Cc2occc2[S-])CCC1=O ZINC001237182218 979831021 /nfs/dbraw/zinc/83/10/21/979831021.db2.gz RXWRGWJDXJJLPT-VIFPVBQESA-N -1 3 239.340 2.369 20 0 BEADHM F[C@@H]1CN(Cc2occc2[S-])C[C@@H]1F ZINC001237183157 979832015 /nfs/dbraw/zinc/83/20/15/979832015.db2.gz WGCTXMBIIMIHKW-KNVOCYPGSA-N -1 3 219.256 2.060 20 0 BEADHM [S-]c1ccoc1CN1CC2(CSC2)C1 ZINC001237186078 979836876 /nfs/dbraw/zinc/83/68/76/979836876.db2.gz JZDZNORTMVLNGA-UHFFFAOYSA-N -1 3 227.354 2.117 20 0 BEADHM Cc1[nH]c(CN2CCC(C)CC2)cc1C(=O)[O-] ZINC001607493992 980112823 /nfs/dbraw/zinc/11/28/23/980112823.db2.gz JEDNRVUFLZSZFU-UHFFFAOYSA-N -1 3 236.315 2.253 20 0 BEADHM O=C([O-])[C@@H]1CCC[C@@H]1NC/C(Cl)=C/Cl ZINC001608623039 980249239 /nfs/dbraw/zinc/24/92/39/980249239.db2.gz JYNGRDPAHOGIBT-VMMSMWDISA-N -1 3 238.114 2.148 20 0 BEADHM COc1cccc([O-])c1C(=O)N1C2CCC1CC2 ZINC000405207083 1168465370 /nfs/dbraw/zinc/46/53/70/1168465370.db2.gz GMYNQZSLNGOVSG-UHFFFAOYSA-N -1 3 247.294 2.168 20 0 BEADHM CNc1ccc(-c2ccc(=S)[n-]n2)c(F)n1 ZINC001239411965 980566900 /nfs/dbraw/zinc/56/69/00/980566900.db2.gz WNONZUZAZLFORB-UHFFFAOYSA-N -1 3 236.275 2.008 20 0 BEADHM COCCCc1ccc([O-])c(F)c1F ZINC001250303363 980719051 /nfs/dbraw/zinc/71/90/51/980719051.db2.gz NCGYVDXCVBRFRV-UHFFFAOYSA-N -1 3 202.200 2.249 20 0 BEADHM Cc1cc(-c2ccnc(C(N)=O)c2)cc([O-])c1F ZINC001244515747 1168558022 /nfs/dbraw/zinc/55/80/22/1168558022.db2.gz MEBBPQDWCYUAGF-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM Nc1cncc(-c2ccc([O-])c(F)c2)c1 ZINC001240785806 981828637 /nfs/dbraw/zinc/82/86/37/981828637.db2.gz OWPGDNHOCKVYAF-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM CC(=O)c1cccc(NC(=O)OCCF)c1[O-] ZINC001194967586 982006956 /nfs/dbraw/zinc/00/69/56/982006956.db2.gz YIMHCWJPAPQEDY-UHFFFAOYSA-N -1 3 241.218 2.113 20 0 BEADHM [O-]c1cc(-c2ccnc3ccnn32)ccc1F ZINC001250481343 1168790462 /nfs/dbraw/zinc/79/04/62/1168790462.db2.gz MYGLXPGHHWRGHT-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM C[C@@H](CC(=O)[O-])N[C@@H](C)c1cccnc1Cl ZINC001589004894 982570654 /nfs/dbraw/zinc/57/06/54/982570654.db2.gz UNFASXKTQJNHQE-YUMQZZPRSA-N -1 3 242.706 2.249 20 0 BEADHM C[C@@H]([NH2+]CCCC(=O)[O-])c1cc([O-])cc(F)c1 ZINC001589128965 982631142 /nfs/dbraw/zinc/63/11/42/982631142.db2.gz XHWSFFBINGBYPR-MRVPVSSYSA-N -1 3 241.262 2.047 20 0 BEADHM CC(C)[C@@H]1C[C@H]1NCc1cc(C(=O)[O-])co1 ZINC001591853845 983095674 /nfs/dbraw/zinc/09/56/74/983095674.db2.gz RSOJEQHQFMZRNN-WDEREUQCSA-N -1 3 223.272 2.112 20 0 BEADHM CC(C)c1ccc(CN[C@@H](CF)C(=O)[O-])cc1 ZINC001591957413 983104014 /nfs/dbraw/zinc/10/40/14/983104014.db2.gz HQQCCQLIHPHOHK-LBPRGKRZSA-N -1 3 239.290 2.322 20 0 BEADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)[N-]OC1CCCC1 ZINC000717699795 1168991348 /nfs/dbraw/zinc/99/13/48/1168991348.db2.gz FXTICFYVFMSCPV-JBLDHEPKSA-N -1 3 223.316 2.413 20 0 BEADHM CCC[C@@H](CC)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095288332 1169023972 /nfs/dbraw/zinc/02/39/72/1169023972.db2.gz MTMUEIZFINLMFC-SNVBAGLBSA-N -1 3 246.318 2.252 20 0 BEADHM CCC[C@@H](CC)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095288332 1169023981 /nfs/dbraw/zinc/02/39/81/1169023981.db2.gz MTMUEIZFINLMFC-SNVBAGLBSA-N -1 3 246.318 2.252 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@H]1CC[C@H](C)C1 ZINC001226071783 974776926 /nfs/dbraw/zinc/77/69/26/974776926.db2.gz UWFUBVJHFHVQJZ-CBAPKCEASA-N -1 3 208.261 2.058 20 0 BEADHM CCN(C)Cc1cc(F)c([O-])cc1F ZINC001144646799 972908034 /nfs/dbraw/zinc/90/80/34/972908034.db2.gz LDUCEGUWDFRXOI-UHFFFAOYSA-N -1 3 201.216 2.122 20 0 BEADHM Nc1cccnc1Nc1cc(F)c([O-])cc1F ZINC001215569666 970786458 /nfs/dbraw/zinc/78/64/58/970786458.db2.gz CBCFRMCROIHFLU-UHFFFAOYSA-N -1 3 237.209 2.391 20 0 BEADHM COc1cc(Nc2cc(F)c([O-])cc2F)no1 ZINC001215571114 970792335 /nfs/dbraw/zinc/79/23/35/970792335.db2.gz YXPPJTMPUCJYPU-UHFFFAOYSA-N -1 3 242.181 2.411 20 0 BEADHM CC(C)Oc1cc(Nc2cnc[n-]c2=O)ccn1 ZINC001215767083 970834816 /nfs/dbraw/zinc/83/48/16/970834816.db2.gz UBPRZRRWHHVRJL-UHFFFAOYSA-N -1 3 246.270 2.108 20 0 BEADHM CSc1ncc(Nc2cnc[n-]c2=O)cc1C ZINC001215828193 970858569 /nfs/dbraw/zinc/85/85/69/970858569.db2.gz ZWXMFWAVJOHVQI-UHFFFAOYSA-N -1 3 248.311 2.351 20 0 BEADHM CN(C)c1cc(F)cc(Nc2cnc[n-]c2=O)c1 ZINC001216160354 970960486 /nfs/dbraw/zinc/96/04/86/970960486.db2.gz YRFWRLHCIXXEPQ-UHFFFAOYSA-N -1 3 248.261 2.131 20 0 BEADHM Cc1nnc([N-]c2cc(F)cc(N(C)C)c2)o1 ZINC001216157819 970961028 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Cc1nccc(-c2ccc([O-])cc2F)n1 ZINC001206021228 967971737 /nfs/dbraw/zinc/97/17/37/967971737.db2.gz KTLQZJWRGYRFCS-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM COc1cnc(C)nc1-c1ccc([O-])cc1F ZINC001206038350 967999865 /nfs/dbraw/zinc/99/98/65/967999865.db2.gz WGFUZZOFJJPLCO-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM [O-]c1ccc(-c2cccn3ncnc23)c(F)c1 ZINC001206052029 968019114 /nfs/dbraw/zinc/01/91/14/968019114.db2.gz YAPHVNFXJSLPST-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM CC(C)C(C)(C)[N-]C(=O)C(F)(F)C(F)F ZINC000697936392 968051445 /nfs/dbraw/zinc/05/14/45/968051445.db2.gz DGXBUTLRZAEZLQ-UHFFFAOYSA-N -1 3 229.217 2.438 20 0 BEADHM [O-]c1ccc(-c2cncc3nnoc32)c(F)c1 ZINC001206089179 968055627 /nfs/dbraw/zinc/05/56/27/968055627.db2.gz XGLFWCASKJAOJD-UHFFFAOYSA-N -1 3 231.186 2.130 20 0 BEADHM CCOC(=O)c1nc2cc(OC)c(C)cc2[n-]1 ZINC001250550021 968058632 /nfs/dbraw/zinc/05/86/32/968058632.db2.gz MMBLMSLFLRBKIY-UHFFFAOYSA-N -1 3 234.255 2.057 20 0 BEADHM [O-]c1ccc(-c2cn3ncnc3cc2F)c(F)c1 ZINC001206088144 968058739 /nfs/dbraw/zinc/05/87/39/968058739.db2.gz LDJFFEHDJVGCHP-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM Cc1cccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001250600851 968141200 /nfs/dbraw/zinc/14/12/00/968141200.db2.gz MNGFPJBHOLEFSO-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1cccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001250600851 968141210 /nfs/dbraw/zinc/14/12/10/968141210.db2.gz MNGFPJBHOLEFSO-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1cc(O)cc(-c2ccc(=S)[n-]n2)c1 ZINC001206219705 968152091 /nfs/dbraw/zinc/15/20/91/968152091.db2.gz QZMJIJWGDSJOPE-UHFFFAOYSA-N -1 3 218.281 2.446 20 0 BEADHM NC(=O)c1ccccc1-c1ccc([O-])c(F)c1 ZINC001250609468 968155876 /nfs/dbraw/zinc/15/58/76/968155876.db2.gz JIQIIOLKWZGVPT-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM O=C(OC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cncc([O-])c1 ZINC001118450198 968157275 /nfs/dbraw/zinc/15/72/75/968157275.db2.gz UTCDPMQMOANPHU-MXWKQRLJSA-N -1 3 247.294 2.380 20 0 BEADHM NC(=O)c1ccc(-c2cccc([O-])c2F)cc1 ZINC001250612679 968158205 /nfs/dbraw/zinc/15/82/05/968158205.db2.gz LJKYVODXNFACIH-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM NC(=O)c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001250611767 968158767 /nfs/dbraw/zinc/15/87/67/968158767.db2.gz HKIXILSYTLRRQT-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM [O-]c1ccc(CNc2cc(CO)ccn2)cc1F ZINC001206365977 968257208 /nfs/dbraw/zinc/25/72/08/968257208.db2.gz JSVVSYKYCZEPTD-UHFFFAOYSA-N -1 3 248.257 2.031 20 0 BEADHM Fc1cc2[n-]c(-c3nc[nH]n3)nc2c(Cl)c1 ZINC001251632216 968296288 /nfs/dbraw/zinc/29/62/88/968296288.db2.gz IWWQZUIBNXVQAM-UHFFFAOYSA-N -1 3 237.625 2.141 20 0 BEADHM Cc1ncc(Nc2cc(O)cc(F)c2)c(=O)[n-]1 ZINC001206774790 968466057 /nfs/dbraw/zinc/46/60/57/968466057.db2.gz RXGMQHGZTPTRFP-UHFFFAOYSA-N -1 3 235.218 2.079 20 0 BEADHM [O-]c1ccccc1-c1ccnc(N2CCCC2)n1 ZINC001241009029 968854617 /nfs/dbraw/zinc/85/46/17/968854617.db2.gz YUQSHHBEAMEANG-UHFFFAOYSA-N -1 3 241.294 2.449 20 0 BEADHM [O-]c1ccccc1-c1ncnn2cccc12 ZINC001241020756 968857897 /nfs/dbraw/zinc/85/78/97/968857897.db2.gz IMUFIFITQOXQHB-UHFFFAOYSA-N -1 3 211.224 2.102 20 0 BEADHM CC(C)(C)[C@H](O)CNc1c([O-])cc(F)cc1F ZINC001253732453 969352736 /nfs/dbraw/zinc/35/27/36/969352736.db2.gz BLBVSRRBHLFMHU-SNVBAGLBSA-N -1 3 245.269 2.489 20 0 BEADHM CCCc1nnc(-c2cccc(OC)c2[O-])o1 ZINC001253938336 969425792 /nfs/dbraw/zinc/42/57/92/969425792.db2.gz GENKBLXXEVCUSF-UHFFFAOYSA-N -1 3 234.255 2.403 20 0 BEADHM Cc1cc([O-])c(-c2nnc(C3CC3)o2)c(O)c1 ZINC001254115260 969507017 /nfs/dbraw/zinc/50/70/17/969507017.db2.gz XXJVWXBYZLAAIV-UHFFFAOYSA-N -1 3 232.239 2.334 20 0 BEADHM Nc1cncc(Nc2ccc(Cl)c([O-])c2)n1 ZINC001212589255 969598671 /nfs/dbraw/zinc/59/86/71/969598671.db2.gz CKOPTUOFFGVCRN-UHFFFAOYSA-N -1 3 236.662 2.161 20 0 BEADHM Cc1ncc(Nc2cc(F)cc(C(=O)[O-])c2)n1C ZINC001209888852 969683225 /nfs/dbraw/zinc/68/32/25/969683225.db2.gz UKEAIVVSJVCLER-UHFFFAOYSA-N -1 3 249.245 2.309 20 0 BEADHM Nc1cccc2cn(-c3cccc(F)c3[O-])nc21 ZINC001210197254 969829870 /nfs/dbraw/zinc/82/98/70/969829870.db2.gz JXDHQVDADXZHLY-UHFFFAOYSA-N -1 3 243.241 2.452 20 0 BEADHM CCc1ccc(NCc2ncccc2[O-])nc1 ZINC001169733295 969837941 /nfs/dbraw/zinc/83/79/41/969837941.db2.gz SXHJDGHTPHSICA-UHFFFAOYSA-N -1 3 229.283 2.357 20 0 BEADHM CCc1ccncc1NCc1ncccc1[O-] ZINC001169733667 969838247 /nfs/dbraw/zinc/83/82/47/969838247.db2.gz WZFJTQGUZPRRQP-UHFFFAOYSA-N -1 3 229.283 2.357 20 0 BEADHM Cc1ncc(Nc2cccc(C(=O)[O-])c2F)n1C ZINC001210239811 969841625 /nfs/dbraw/zinc/84/16/25/969841625.db2.gz FSVBCAMGMJQNDZ-UHFFFAOYSA-N -1 3 249.245 2.309 20 0 BEADHM Cc1cc(Nc2cnc[n-]c2=O)c(C)o1 ZINC001210279663 969847608 /nfs/dbraw/zinc/84/76/08/969847608.db2.gz BCDZXBQREGFKQV-UHFFFAOYSA-N -1 3 205.217 2.136 20 0 BEADHM COc1c(F)cccc1Nc1cnc[n-]c1=O ZINC001210403648 969883983 /nfs/dbraw/zinc/88/39/83/969883983.db2.gz CQHHJNOQKDJEMJ-UHFFFAOYSA-N -1 3 235.218 2.074 20 0 BEADHM COc1c(F)cccc1Nc1cnc(C)[n-]c1=O ZINC001210407983 969884374 /nfs/dbraw/zinc/88/43/74/969884374.db2.gz KCZPGRPUNLQGJA-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM Cc1ncc(Nc2ccc3ocnc3c2)c(=O)[n-]1 ZINC001210574437 969951524 /nfs/dbraw/zinc/95/15/24/969951524.db2.gz WEBINQQNUFMDQR-UHFFFAOYSA-N -1 3 242.238 2.375 20 0 BEADHM Cc1nnc([N-]c2ccccc2-n2cccn2)o1 ZINC001210730203 970009804 /nfs/dbraw/zinc/00/98/04/970009804.db2.gz AMSBGPXRVLNKEY-UHFFFAOYSA-N -1 3 241.254 2.307 20 0 BEADHM Cc1cc(N)n(-c2cccc([O-])c2Cl)n1 ZINC001210844259 970049307 /nfs/dbraw/zinc/04/93/07/970049307.db2.gz BKHIGHMENLHEHF-UHFFFAOYSA-N -1 3 223.663 2.122 20 0 BEADHM Nc1cnc(Nc2cccc([O-])c2Cl)cn1 ZINC001210852222 970052764 /nfs/dbraw/zinc/05/27/64/970052764.db2.gz XLQVNYYQWDILEF-UHFFFAOYSA-N -1 3 236.662 2.161 20 0 BEADHM Nc1cn(-c2cccc([O-])c2Cl)nc1Cl ZINC001210853765 970053274 /nfs/dbraw/zinc/05/32/74/970053274.db2.gz IZZWWWTXIPJREE-UHFFFAOYSA-N -1 3 244.081 2.467 20 0 BEADHM c1coc(-c2cc([N-]c3ccncn3)on2)c1 ZINC001211025221 970119618 /nfs/dbraw/zinc/11/96/18/970119618.db2.gz KHRXPSLJSKXOHT-UHFFFAOYSA-N -1 3 228.211 2.468 20 0 BEADHM [O-]c1c(F)cc(Nc2ccncn2)cc1F ZINC001211026797 970121841 /nfs/dbraw/zinc/12/18/41/970121841.db2.gz FXWBQFKLCSVNKW-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM Cc1nc(Nc2cccc(CO)c2C)cc(=O)[n-]1 ZINC001211162265 970164491 /nfs/dbraw/zinc/16/44/91/970164491.db2.gz UDNJSERFZRLMLM-UHFFFAOYSA-N -1 3 245.282 2.035 20 0 BEADHM [O-]c1cc(-c2cnc3nccn3c2)ccc1F ZINC001243046909 970204325 /nfs/dbraw/zinc/20/43/25/970204325.db2.gz APSMOBKHVQBRDW-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM COc1nccc(-c2ccc(F)c([O-])c2)c1N ZINC001243050177 970206316 /nfs/dbraw/zinc/20/63/16/970206316.db2.gz RRNDUWGHSCJFHZ-UHFFFAOYSA-N -1 3 234.230 2.184 20 0 BEADHM Nc1nccc(F)c1-c1ccc(F)c([O-])c1 ZINC001243049398 970206697 /nfs/dbraw/zinc/20/66/97/970206697.db2.gz MZASENQINYDGEK-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM [O-]c1cc(-c2cnc3[nH]cnc3c2)ccc1F ZINC001243050759 970207556 /nfs/dbraw/zinc/20/75/56/970207556.db2.gz WXXHWMNGPNMXJF-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM Cn1nnc2ccc(-c3ccc(F)c([O-])c3)cc21 ZINC001243048158 970209804 /nfs/dbraw/zinc/20/98/04/970209804.db2.gz IQUFLSBLMCDCNH-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM COc1cccc([N-]c2ncc(C)o2)n1 ZINC001211296067 970222098 /nfs/dbraw/zinc/22/20/98/970222098.db2.gz OLAQVYOVDCOPTL-UHFFFAOYSA-N -1 3 205.217 2.130 20 0 BEADHM CC/C=C/[N-]S(=O)(=O)c1ccccc1F ZINC001255529415 970297810 /nfs/dbraw/zinc/29/78/10/970297810.db2.gz VUQIVFIRLAAPQA-FPYGCLRLSA-N -1 3 229.276 2.028 20 0 BEADHM Cc1cc(C)c(Nc2cnc(C)[n-]c2=O)cn1 ZINC001213510935 970341576 /nfs/dbraw/zinc/34/15/76/970341576.db2.gz MZCSFLRDYWTFSF-UHFFFAOYSA-N -1 3 230.271 2.246 20 0 BEADHM COCc1ccc(C)c(Nc2cnc[n-]c2=O)c1 ZINC001213573798 970360996 /nfs/dbraw/zinc/36/09/96/970360996.db2.gz HBNIPUYHYHFNPE-UHFFFAOYSA-N -1 3 245.282 2.381 20 0 BEADHM Cc1ccc(Nc2cc(=O)[n-]c(C)n2)c(CO)c1 ZINC001214451779 970502865 /nfs/dbraw/zinc/50/28/65/970502865.db2.gz VWEFOPNNPGSNPO-UHFFFAOYSA-N -1 3 245.282 2.035 20 0 BEADHM Cc1nnc([N-]c2c(C)cc(CO)cc2C)o1 ZINC001214944296 970579318 /nfs/dbraw/zinc/57/93/18/970579318.db2.gz PPDKNZXZHPYPMB-UHFFFAOYSA-N -1 3 233.271 2.231 20 0 BEADHM COCOc1cc(C)c([N-]c2nnco2)c(C)c1 ZINC001215158718 970654743 /nfs/dbraw/zinc/65/47/43/970654743.db2.gz QAKVZVNIKFTIKO-UHFFFAOYSA-N -1 3 249.270 2.413 20 0 BEADHM COC(=O)c1ncccc1-c1ccc([O-])cc1F ZINC001206051353 970747934 /nfs/dbraw/zinc/74/79/34/970747934.db2.gz KARDNUNRNZYQNK-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM C[C@]1(C(=O)Nc2cncc([O-])c2)C[C@@H]2C=C[C@H]1C2 ZINC001144271661 972729336 /nfs/dbraw/zinc/72/93/36/972729336.db2.gz GDIJGLSZBCZHCC-BFVZDQMLSA-N -1 3 244.294 2.328 20 0 BEADHM CC(C)=CCCOC(=O)c1cccc2nn[n-]c21 ZINC001327968196 972836743 /nfs/dbraw/zinc/83/67/43/972836743.db2.gz VHYBIXDTIUDRBR-UHFFFAOYSA-N -1 3 245.282 2.471 20 0 BEADHM CC(C)=CCCOC(=O)c1cccc2[n-]nnc21 ZINC001327968196 972836748 /nfs/dbraw/zinc/83/67/48/972836748.db2.gz VHYBIXDTIUDRBR-UHFFFAOYSA-N -1 3 245.282 2.471 20 0 BEADHM CC(C)=CCCOC(=O)c1cccc2n[n-]nc21 ZINC001327968196 972836754 /nfs/dbraw/zinc/83/67/54/972836754.db2.gz VHYBIXDTIUDRBR-UHFFFAOYSA-N -1 3 245.282 2.471 20 0 BEADHM Cc1ccc(C(=O)Nc2ccc(F)c([O-])c2)cn1 ZINC001147167001 973448560 /nfs/dbraw/zinc/44/85/60/973448560.db2.gz BQJBSNCKTQUUFE-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM CC(C)(C)C(=O)CCCC(=O)[N-]OCC1CC1 ZINC001330607355 974352845 /nfs/dbraw/zinc/35/28/45/974352845.db2.gz CHEVZSNPFNDSAR-UHFFFAOYSA-N -1 3 241.331 2.230 20 0 BEADHM CC(C)CCn1ncc2cc([O-])ccc2c1=O ZINC001330686825 974415683 /nfs/dbraw/zinc/41/56/83/974415683.db2.gz FGQPQJQRWXDPBH-UHFFFAOYSA-N -1 3 232.283 2.148 20 0 BEADHM [O-]c1coc2cc(O[C@@H]3C=CCC3)ccc12 ZINC001225340139 974418255 /nfs/dbraw/zinc/41/82/55/974418255.db2.gz DMCRVUKDNJELFD-SECBINFHSA-N -1 3 216.236 2.359 20 0 BEADHM [O-]c1coc2cc(O[C@H]3C=CCC3)ccc12 ZINC001225340140 974419249 /nfs/dbraw/zinc/41/92/49/974419249.db2.gz DMCRVUKDNJELFD-VIFPVBQESA-N -1 3 216.236 2.359 20 0 BEADHM CCC(=O)[C@@H](CC)Oc1ccc2c([O-])coc2c1 ZINC001225343144 974422227 /nfs/dbraw/zinc/42/22/27/974422227.db2.gz QIOBKIQSJAAVGE-CYBMUJFWSA-N -1 3 248.278 2.398 20 0 BEADHM O=c1ncc(C(F)(F)F)c(O[C@H]2C=CCC2)[n-]1 ZINC001225576875 974562094 /nfs/dbraw/zinc/56/20/94/974562094.db2.gz OOTMRDQWEYMWST-LURJTMIESA-N -1 3 246.188 2.298 20 0 BEADHM CC(C)(C)O[N-]C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001331142969 974617447 /nfs/dbraw/zinc/61/74/47/974617447.db2.gz JIBOLNJCTVDSHL-JTQLQIEISA-N -1 3 243.347 2.428 20 0 BEADHM CC(C)CO[N-]C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001331144149 974620004 /nfs/dbraw/zinc/62/00/04/974620004.db2.gz QSEXICRVJUFSMW-LLVKDONJSA-N -1 3 243.347 2.286 20 0 BEADHM Cc1cnc(=S)[n-]c1O[C@H](C)c1cncnc1 ZINC001225742217 974663955 /nfs/dbraw/zinc/66/39/55/974663955.db2.gz IKEDTWBMNRAXKC-MRVPVSSYSA-N -1 3 248.311 2.004 20 0 BEADHM CCCOC[C@H](C)Oc1[n-]c(=S)ncc1C ZINC001225743015 974665036 /nfs/dbraw/zinc/66/50/36/974665036.db2.gz QQRVDYWEHWQUHA-VIFPVBQESA-N -1 3 242.344 2.268 20 0 BEADHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1cncnc1 ZINC001225742218 974665818 /nfs/dbraw/zinc/66/58/18/974665818.db2.gz IKEDTWBMNRAXKC-QMMMGPOBSA-N -1 3 248.311 2.004 20 0 BEADHM CC[C@H](COc1cc(C(C)=O)ccc1[O-])OC ZINC001225996339 974756435 /nfs/dbraw/zinc/75/64/35/974756435.db2.gz WPAQRYDHGLYSSD-LLVKDONJSA-N -1 3 238.283 2.399 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@@H](C)COC(C)(C)C ZINC001226071837 974776449 /nfs/dbraw/zinc/77/64/49/974776449.db2.gz VXYHFKHSNSSDFD-QMMMGPOBSA-N -1 3 240.303 2.073 20 0 BEADHM Cc1c(=O)[n-]cnc1OC1CCC(C)CC1 ZINC001226071334 974776758 /nfs/dbraw/zinc/77/67/58/974776758.db2.gz PZIKBJZSWDKLGU-UHFFFAOYSA-N -1 3 222.288 2.448 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@H]1CCC[C@@H]1C ZINC001226070946 974777424 /nfs/dbraw/zinc/77/74/24/974777424.db2.gz JJHWHHZXYLRACV-CBAPKCEASA-N -1 3 208.261 2.058 20 0 BEADHM Cc1c(O[C@@H](C)c2ccncc2)nc[n-]c1=O ZINC001226071461 974777862 /nfs/dbraw/zinc/77/78/62/974777862.db2.gz QLMMHQKPWUDFOE-VIFPVBQESA-N -1 3 231.255 2.026 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@@H]1CCCC[C@@H]1C ZINC001226070904 974778005 /nfs/dbraw/zinc/77/80/05/974778005.db2.gz IHHGFXNTTFLROY-WCBMZHEXSA-N -1 3 222.288 2.448 20 0 BEADHM Cc1c(O[C@H]2CC[C@H](C)CC2)nc[n-]c1=O ZINC001226071332 974778103 /nfs/dbraw/zinc/77/81/03/974778103.db2.gz PZIKBJZSWDKLGU-CZMCAQCFSA-N -1 3 222.288 2.448 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@H](C)Cc1ccco1 ZINC001226075038 974778471 /nfs/dbraw/zinc/77/84/71/974778471.db2.gz DXUPPEBQIQEORT-MRVPVSSYSA-N -1 3 234.255 2.094 20 0 BEADHM CCC[C@H](C)[C@H](CC)Oc1[n-]c(=O)nnc1C ZINC001226464024 974913698 /nfs/dbraw/zinc/91/36/98/974913698.db2.gz LIYRASDTLYGRKK-WPRPVWTQSA-N -1 3 239.319 2.479 20 0 BEADHM CCc1nc(O[C@H](C)c2ccncc2)cc(=O)[n-]1 ZINC001226473363 974919525 /nfs/dbraw/zinc/91/95/25/974919525.db2.gz VTYDCGBMJRHVET-SECBINFHSA-N -1 3 245.282 2.280 20 0 BEADHM CCc1nc(O[C@@H]2CCC[C@@H]2C)cc(=O)[n-]1 ZINC001226473518 974919583 /nfs/dbraw/zinc/91/95/83/974919583.db2.gz YXVGZYYYDNPUKJ-DTWKUNHWSA-N -1 3 222.288 2.312 20 0 BEADHM CCc1nc(O[C@H](C)C(F)(F)F)cc(=O)[n-]1 ZINC001226472539 974919597 /nfs/dbraw/zinc/91/95/97/974919597.db2.gz IPVHRALGFCLTHU-RXMQYKEDSA-N -1 3 236.193 2.074 20 0 BEADHM Cc1nc(O[C@H]2CCC[C@@H]2C)cc(=O)[n-]1 ZINC001226511282 974926101 /nfs/dbraw/zinc/92/61/01/974926101.db2.gz VZDCLLBGWUNAFE-CBAPKCEASA-N -1 3 208.261 2.058 20 0 BEADHM Cc1nc(O[C@@H](C)c2ccncc2F)cc(=O)[n-]1 ZINC001226511636 974934386 /nfs/dbraw/zinc/93/43/86/974934386.db2.gz HETKSVAVPXZZRV-ZETCQYMHSA-N -1 3 249.245 2.165 20 0 BEADHM COCC(COC)Oc1cccc([O-])c1Cl ZINC001226711350 975042500 /nfs/dbraw/zinc/04/25/00/975042500.db2.gz ITRGOCNLNLAUBW-UHFFFAOYSA-N -1 3 246.690 2.086 20 0 BEADHM COc1cccc2c1C[C@@H](N[C@@H]1[CH]CC=C1)CO2 ZINC001173160696 975049557 /nfs/dbraw/zinc/04/95/57/975049557.db2.gz MCFBGHKXDPWFKV-NWDGAFQWSA-N -1 3 244.314 2.121 20 0 BEADHM S=c1nccc(O[C@@H]2C=CCCC2)[n-]1 ZINC001226938797 975163696 /nfs/dbraw/zinc/16/36/96/975163696.db2.gz CGWKGGQZZBRRRO-MRVPVSSYSA-N -1 3 208.286 2.253 20 0 BEADHM C[C@@H]1CC[C@@H](C)[C@@H](Oc2cc(=O)[n-]cn2)C1 ZINC001226943919 975170186 /nfs/dbraw/zinc/17/01/86/975170186.db2.gz ANRBSHNTTHOAGF-BBBLOLIVSA-N -1 3 222.288 2.386 20 0 BEADHM C[C@@H](Oc1cc(=O)[n-]cn1)C1CCCC1 ZINC001226944467 975172860 /nfs/dbraw/zinc/17/28/60/975172860.db2.gz GKYGCRIJZHKLSD-MRVPVSSYSA-N -1 3 208.261 2.140 20 0 BEADHM Cc1nocc1[N-]c1nc(C)cnc1Cl ZINC001212719373 975173725 /nfs/dbraw/zinc/17/37/25/975173725.db2.gz JWKQWEHUDNCIBU-UHFFFAOYSA-N -1 3 224.651 2.478 20 0 BEADHM C[C@@H](COc1ccccc1)Oc1cc(=O)[n-]cn1 ZINC001226947776 975175324 /nfs/dbraw/zinc/17/53/24/975175324.db2.gz VVXPRSXJZZJPHJ-JTQLQIEISA-N -1 3 246.266 2.029 20 0 BEADHM Cc1cnc(F)c([C@@H](C)Oc2cc(=O)[n-]cn2)c1 ZINC001226945285 975177384 /nfs/dbraw/zinc/17/73/84/975177384.db2.gz RWUXZQBYGNZKCQ-MRVPVSSYSA-N -1 3 249.245 2.165 20 0 BEADHM Cc1nocc1Nc1ncc(Cl)cc1[O-] ZINC001212718592 975230449 /nfs/dbraw/zinc/23/04/49/975230449.db2.gz PUOTUYQTYQTPLY-UHFFFAOYSA-N -1 3 225.635 2.481 20 0 BEADHM CCOC[C@@H](C)Oc1[n-]c(=S)ncc1CC ZINC001227062339 975248750 /nfs/dbraw/zinc/24/87/50/975248750.db2.gz UEJQBQQIOGWDDB-MRVPVSSYSA-N -1 3 242.344 2.132 20 0 BEADHM C[C@H](Cc1ccccc1)Oc1ccc(=O)[n-]n1 ZINC001227093161 975263070 /nfs/dbraw/zinc/26/30/70/975263070.db2.gz HNPJJYUQQLVPOF-SNVBAGLBSA-N -1 3 230.267 2.192 20 0 BEADHM C[C@H]1CC[C@@H](Oc2ccc(=O)[n-]n2)CC1 ZINC001227093274 975266538 /nfs/dbraw/zinc/26/65/38/975266538.db2.gz KBERUNBDGHJUOO-DTORHVGOSA-N -1 3 208.261 2.140 20 0 BEADHM O=c1ccc(O[C@H]2CCc3ccccc32)n[n-]1 ZINC001227095334 975269623 /nfs/dbraw/zinc/26/96/23/975269623.db2.gz POUGMFQKVJFEMN-NSHDSACASA-N -1 3 228.251 2.249 20 0 BEADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1nc2ccccc2o1 ZINC001333120599 975450444 /nfs/dbraw/zinc/45/04/44/975450444.db2.gz DYQPQNCKNQKSNQ-BDAKNGLRSA-N -1 3 248.282 2.027 20 0 BEADHM CC(C)[C@H](C)OC(=O)c1cccc2nn[n-]c21 ZINC001333217431 975564809 /nfs/dbraw/zinc/56/48/09/975564809.db2.gz WMBYMHJBBZINRH-QMMMGPOBSA-N -1 3 233.271 2.159 20 0 BEADHM CC(C)[C@H](C)OC(=O)c1cccc2[n-]nnc21 ZINC001333217431 975564820 /nfs/dbraw/zinc/56/48/20/975564820.db2.gz WMBYMHJBBZINRH-QMMMGPOBSA-N -1 3 233.271 2.159 20 0 BEADHM CC(C)[C@H](C)OC(=O)c1cccc2n[n-]nc21 ZINC001333217431 975564836 /nfs/dbraw/zinc/56/48/36/975564836.db2.gz WMBYMHJBBZINRH-QMMMGPOBSA-N -1 3 233.271 2.159 20 0 BEADHM NC(=O)c1ccc(Nc2ccccc2)cc1[O-] ZINC001173795005 975621498 /nfs/dbraw/zinc/62/14/98/975621498.db2.gz IKZMIBDSVNZAJF-UHFFFAOYSA-N -1 3 228.251 2.235 20 0 BEADHM C=Cc1c[n-]c(=O)nc1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001227712307 975629546 /nfs/dbraw/zinc/62/95/46/975629546.db2.gz AZWKMQOWSWHPMR-ILWJIGKKSA-N -1 3 218.256 2.003 20 0 BEADHM C=Cc1c[n-]c(=O)nc1OC(C1CC1)C1CC1 ZINC001227713347 975633560 /nfs/dbraw/zinc/63/35/60/975633560.db2.gz KTIWKWUTUAPYKX-UHFFFAOYSA-N -1 3 232.283 2.393 20 0 BEADHM COc1ccc(Nc2cnc(C)[n-]c2=O)cc1 ZINC001173806209 975704350 /nfs/dbraw/zinc/70/43/50/975704350.db2.gz ZHRQOLZAENZABD-UHFFFAOYSA-N -1 3 231.255 2.243 20 0 BEADHM Cc1cccc(Nc2[nH]c(=O)[n-]c(=O)c2N=O)c1 ZINC001173809301 975719258 /nfs/dbraw/zinc/71/92/58/975719258.db2.gz ZQJUUIPWACEJHH-UHFFFAOYSA-N -1 3 246.226 2.338 20 0 BEADHM [O-]c1cc(Cl)cnc1OC[C@H]1CCCCO1 ZINC001227979674 975820900 /nfs/dbraw/zinc/82/09/00/975820900.db2.gz GTVLXXZGJWOUGD-SECBINFHSA-N -1 3 243.690 2.389 20 0 BEADHM CC[C@H](COC)Oc1ncc(Cl)cc1[O-] ZINC001227979660 975821097 /nfs/dbraw/zinc/82/10/97/975821097.db2.gz GLXMFWHTSAEBKN-MRVPVSSYSA-N -1 3 231.679 2.244 20 0 BEADHM CCOC[C@@H](C)Oc1ncc(Cl)cc1[O-] ZINC001227979269 975822488 /nfs/dbraw/zinc/82/24/88/975822488.db2.gz BERZXJDZXAZRMR-SSDOTTSWSA-N -1 3 231.679 2.244 20 0 BEADHM CC(C)OCCOc1ncc(Cl)cc1[O-] ZINC001227981778 975824719 /nfs/dbraw/zinc/82/47/19/975824719.db2.gz ZPKYUGCSEQUFBE-UHFFFAOYSA-N -1 3 231.679 2.244 20 0 BEADHM CO[C@@H](C)CCOc1ncc(Cl)cc1[O-] ZINC001227981503 975826143 /nfs/dbraw/zinc/82/61/43/975826143.db2.gz WYZCOXQOQGGTIZ-ZETCQYMHSA-N -1 3 231.679 2.244 20 0 BEADHM NC(=O)c1ccc(Nc2cccc(F)c2)cc1[O-] ZINC001173837211 975863495 /nfs/dbraw/zinc/86/34/95/975863495.db2.gz IIUHSFJNUDHZDX-UHFFFAOYSA-N -1 3 246.241 2.374 20 0 BEADHM CC(=O)c1cccc([N-]c2nnc(C)o2)c1 ZINC001173898139 975884706 /nfs/dbraw/zinc/88/47/06/975884706.db2.gz CYIGAJGKICCWBF-UHFFFAOYSA-N -1 3 217.228 2.324 20 0 BEADHM Cc1nonc1[N-]c1ccccc1CN(C)C ZINC001173928898 976039681 /nfs/dbraw/zinc/03/96/81/976039681.db2.gz GCZYPKNCVPAHNA-UHFFFAOYSA-N -1 3 232.287 2.183 20 0 BEADHM O=c1cc(Nc2ccoc2)nc(C2CC2)[n-]1 ZINC001173933016 976044170 /nfs/dbraw/zinc/04/41/70/976044170.db2.gz YTNNBMRJGJAWND-UHFFFAOYSA-N -1 3 217.228 2.396 20 0 BEADHM COc1nonc1[N-]c1ccc2c(ccn2C)c1 ZINC001174096330 976290626 /nfs/dbraw/zinc/29/06/26/976290626.db2.gz AYRYKQHRJDRQNM-UHFFFAOYSA-N -1 3 244.254 2.314 20 0 BEADHM CCc1nnc([N-]c2c(C)n[nH]c2C)s1 ZINC001174213298 976393625 /nfs/dbraw/zinc/39/36/25/976393625.db2.gz UOCWLGVXJSOAFC-UHFFFAOYSA-N -1 3 223.305 2.184 20 0 BEADHM C[C@H](Oc1nnc(-c2cccnc2)[n-]1)C1CCC1 ZINC001228695900 976437434 /nfs/dbraw/zinc/43/74/34/976437434.db2.gz SIUVTPUICUZQRW-VIFPVBQESA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H](Oc1nc(-c2cccnc2)n[n-]1)C1CCC1 ZINC001228695900 976437441 /nfs/dbraw/zinc/43/74/41/976437441.db2.gz SIUVTPUICUZQRW-VIFPVBQESA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H](Oc1n[n-]c(-c2cccnc2)n1)C1CCC1 ZINC001228695900 976437450 /nfs/dbraw/zinc/43/74/50/976437450.db2.gz SIUVTPUICUZQRW-VIFPVBQESA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H]1CCC[C@H]1Oc1nnc(-c2cccnc2)[n-]1 ZINC001228696386 976441970 /nfs/dbraw/zinc/44/19/70/976441970.db2.gz WDDXRZGRJOASFS-GXSJLCMTSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H]1CCC[C@H]1Oc1nc(-c2cccnc2)n[n-]1 ZINC001228696386 976441981 /nfs/dbraw/zinc/44/19/81/976441981.db2.gz WDDXRZGRJOASFS-GXSJLCMTSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H]1CCC[C@H]1Oc1n[n-]c(-c2cccnc2)n1 ZINC001228696386 976441988 /nfs/dbraw/zinc/44/19/88/976441988.db2.gz WDDXRZGRJOASFS-GXSJLCMTSA-N -1 3 244.298 2.434 20 0 BEADHM COc1cc([N-]c2nonc2C2CC2)ccn1 ZINC001174305809 976519058 /nfs/dbraw/zinc/51/90/58/976519058.db2.gz RLMLGYCDYGUHOP-UHFFFAOYSA-N -1 3 232.243 2.094 20 0 BEADHM CCc1nnc([N-]c2cnn(CC3CC3)c2)s1 ZINC001174467295 976765847 /nfs/dbraw/zinc/76/58/47/976765847.db2.gz ZVISAHXBACSRSL-UHFFFAOYSA-N -1 3 249.343 2.451 20 0 BEADHM Cn1ccc2ccc(Nc3cnc[n-]c3=O)cc21 ZINC001174515910 976839638 /nfs/dbraw/zinc/83/96/38/976839638.db2.gz SGYRDQPOFZPTMM-UHFFFAOYSA-N -1 3 240.266 2.418 20 0 BEADHM COc1nonc1[N-]c1ccc2ccn(C)c2c1 ZINC001174514879 976839787 /nfs/dbraw/zinc/83/97/87/976839787.db2.gz FZNBVYWVHHDKJG-UHFFFAOYSA-N -1 3 244.254 2.314 20 0 BEADHM CC(C)=CNc1cc(=O)[n-]c(C2CC2)n1 ZINC001174554360 976857803 /nfs/dbraw/zinc/85/78/03/976857803.db2.gz OXGODLKSSCSEJT-UHFFFAOYSA-N -1 3 205.261 2.395 20 0 BEADHM CCC(=O)c1ccc([O-])cc1O[C@@H]1CCN(C)C1 ZINC001229474404 976875534 /nfs/dbraw/zinc/87/55/34/976875534.db2.gz DVTYIBFEMBPNSL-LLVKDONJSA-N -1 3 249.310 2.068 20 0 BEADHM O=c1[n-]cncc1Nc1cccc2[nH]ccc21 ZINC001174645059 976913448 /nfs/dbraw/zinc/91/34/48/976913448.db2.gz CSXJUVPLWFEYIX-UHFFFAOYSA-N -1 3 226.239 2.407 20 0 BEADHM CCC[C@H](C)Oc1nc(C)[n-]c(=O)c1C ZINC001229684508 976943876 /nfs/dbraw/zinc/94/38/76/976943876.db2.gz CUNKMXJWANEPIK-ZETCQYMHSA-N -1 3 210.277 2.366 20 0 BEADHM Cc1nc(O[C@@H](C)Cc2ccco2)c(C)c(=O)[n-]1 ZINC001229686995 976949936 /nfs/dbraw/zinc/94/99/36/976949936.db2.gz WUVISSQQKYBREZ-QMMMGPOBSA-N -1 3 248.282 2.402 20 0 BEADHM Cc1c(F)cccc1Nc1cnc[n-]c1=O ZINC001174666839 976962418 /nfs/dbraw/zinc/96/24/18/976962418.db2.gz GNJNJGPHZUNFFI-UHFFFAOYSA-N -1 3 219.219 2.373 20 0 BEADHM Cc1nc(O[C@H]2CC[C@H](C)C2)cc(=O)[n-]1 ZINC000721531311 977082947 /nfs/dbraw/zinc/08/29/47/977082947.db2.gz PGPDSECQHYLOFL-CBAPKCEASA-N -1 3 208.261 2.058 20 0 BEADHM Cc1cnccc1Nc1ccc(C(=O)[O-])s1 ZINC001174803255 977102488 /nfs/dbraw/zinc/10/24/88/977102488.db2.gz PGEYQJCYPHOOJE-UHFFFAOYSA-N -1 3 234.280 2.315 20 0 BEADHM Cc1nc(Nc2ccc(N(C)C)cc2)cc(=O)[n-]1 ZINC001174877270 977141642 /nfs/dbraw/zinc/14/16/42/977141642.db2.gz SBIAHBRXPUURSN-UHFFFAOYSA-N -1 3 244.298 2.300 20 0 BEADHM COCc1ccc(Nc2cnc[n-]c2=O)cc1 ZINC001174918784 977165196 /nfs/dbraw/zinc/16/51/96/977165196.db2.gz QJGTXLSQNASCRP-UHFFFAOYSA-N -1 3 231.255 2.072 20 0 BEADHM COc1cc(F)cc(Nc2cnc[n-]c2=O)c1 ZINC001175009733 977206956 /nfs/dbraw/zinc/20/69/56/977206956.db2.gz PMNLBQBUECRURH-UHFFFAOYSA-N -1 3 235.218 2.074 20 0 BEADHM [O-]c1c(F)cc(Nc2ccncc2F)cc1F ZINC001175199637 977303695 /nfs/dbraw/zinc/30/36/95/977303695.db2.gz VGSMVCRVKNTZMY-UHFFFAOYSA-N -1 3 240.184 2.370 20 0 BEADHM Fc1cnccc1N=c1cccc2s[n-]nc1-2 ZINC001175201471 977305124 /nfs/dbraw/zinc/30/51/24/977305124.db2.gz BXBRROWHVMDDOS-UHFFFAOYSA-N -1 3 246.270 2.391 20 0 BEADHM CC(=O)c1ccccc1Nc1cc(=O)[n-]c(C)n1 ZINC001175175507 977324877 /nfs/dbraw/zinc/32/48/77/977324877.db2.gz XSHKBKVPRGGBNW-UHFFFAOYSA-N -1 3 243.266 2.437 20 0 BEADHM Cc1cnccc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175215151 977330693 /nfs/dbraw/zinc/33/06/93/977330693.db2.gz JOFYBJAHWZTVHW-UHFFFAOYSA-N -1 3 246.241 2.393 20 0 BEADHM CC(C)[C@H](C)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230792978 977333164 /nfs/dbraw/zinc/33/31/64/977333164.db2.gz VHOADOJASHDYFJ-ZETCQYMHSA-N -1 3 240.328 2.254 20 0 BEADHM CCC[C@H](C)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230790416 977336529 /nfs/dbraw/zinc/33/65/29/977336529.db2.gz KQWXKIHPWZVNGC-ZETCQYMHSA-N -1 3 240.328 2.398 20 0 BEADHM Cc1cnn(C)c1Nc1c(F)ccc([O-])c1F ZINC001175264167 977363654 /nfs/dbraw/zinc/36/36/54/977363654.db2.gz SXKHMFPISRGLJC-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM c1ccc(Nc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001175422651 977423278 /nfs/dbraw/zinc/42/32/78/977423278.db2.gz LMCMQBUPYNIDNI-UHFFFAOYSA-N -1 3 238.254 2.005 20 0 BEADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC001231074853 977461239 /nfs/dbraw/zinc/46/12/39/977461239.db2.gz ZDIFGPVZXRHPSH-SECBINFHSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@@H](Oc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001231116923 977489989 /nfs/dbraw/zinc/48/99/89/977489989.db2.gz UFZORRBAJCWCPP-MRVPVSSYSA-N -1 3 230.271 2.044 20 0 BEADHM C[C@@H](Oc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001231116923 977490005 /nfs/dbraw/zinc/49/00/05/977490005.db2.gz UFZORRBAJCWCPP-MRVPVSSYSA-N -1 3 230.271 2.044 20 0 BEADHM CCC[C@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117526 977492130 /nfs/dbraw/zinc/49/21/30/977492130.db2.gz CISBMHIBOGYZEE-VIFPVBQESA-N -1 3 232.287 2.434 20 0 BEADHM CCC[C@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231117526 977492149 /nfs/dbraw/zinc/49/21/49/977492149.db2.gz CISBMHIBOGYZEE-VIFPVBQESA-N -1 3 232.287 2.434 20 0 BEADHM CSc1ccc(Nc2cnc(C)[n-]c2=O)cn1 ZINC001175655085 977636110 /nfs/dbraw/zinc/63/61/10/977636110.db2.gz YWYDADKHEAESSE-UHFFFAOYSA-N -1 3 248.311 2.351 20 0 BEADHM CCOc1ccc(Nc2cc(=O)[n-]c(C)n2)cn1 ZINC001175738909 977674058 /nfs/dbraw/zinc/67/40/58/977674058.db2.gz CDNHPVVBXSRHBY-UHFFFAOYSA-N -1 3 246.270 2.028 20 0 BEADHM Cn1ccc2c1cccc2Nc1cnc[n-]c1=O ZINC001175866931 977790000 /nfs/dbraw/zinc/79/00/00/977790000.db2.gz MSGSNKDZKGUZEZ-UHFFFAOYSA-N -1 3 240.266 2.418 20 0 BEADHM Cc1cscc1CNc1nc(C)cc(=O)[n-]1 ZINC001336608628 977811233 /nfs/dbraw/zinc/81/12/33/977811233.db2.gz HWTSWFMFHAEMFT-UHFFFAOYSA-N -1 3 235.312 2.473 20 0 BEADHM O=C([O-])C1CC(N[C@H]2C[C@]2(F)c2ccccc2)C1 ZINC001594899367 977873512 /nfs/dbraw/zinc/87/35/12/977873512.db2.gz CPHPSLHMXRFWLR-UOTDJEAJSA-N -1 3 249.285 2.077 20 0 BEADHM O=c1[n-]cncc1Nc1cncc(C2CC2)c1 ZINC001176282896 978010280 /nfs/dbraw/zinc/01/02/80/978010280.db2.gz ABGNPNQUTMVSBS-UHFFFAOYSA-N -1 3 228.255 2.198 20 0 BEADHM CC[C@@]1(C)CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001337074597 978155177 /nfs/dbraw/zinc/15/51/77/978155177.db2.gz WMFMJOZRKYRYJK-LBPRGKRZSA-N -1 3 221.304 2.117 20 0 BEADHM CCN(CCOC)Cc1ccc(F)c([O-])c1F ZINC001232931167 978341969 /nfs/dbraw/zinc/34/19/69/978341969.db2.gz KHPLGEHKKJFZOY-UHFFFAOYSA-N -1 3 245.269 2.139 20 0 BEADHM C[C@H]1CCN(Cc2cc(Cl)ncc2[O-])C1 ZINC001233032383 978413481 /nfs/dbraw/zinc/41/34/81/978413481.db2.gz JGMUCVFYQLOLJN-QMMMGPOBSA-N -1 3 226.707 2.282 20 0 BEADHM [O-]c1cccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1F ZINC001233051252 978440510 /nfs/dbraw/zinc/44/05/10/978440510.db2.gz LANVCQRXHSODJH-GARJFASQSA-N -1 3 239.265 2.321 20 0 BEADHM [O-]c1cccc(CN2C[C@@H](F)C[C@H]2CF)c1F ZINC001233050016 978441925 /nfs/dbraw/zinc/44/19/25/978441925.db2.gz KYNRQWYFYGARTQ-UWVGGRQHSA-N -1 3 245.244 2.413 20 0 BEADHM COc1ccc(CN2CCC2)c(Cl)c1[O-] ZINC001233396903 978599331 /nfs/dbraw/zinc/59/93/31/978599331.db2.gz BMGWUSRVRFWNCL-UHFFFAOYSA-N -1 3 227.691 2.260 20 0 BEADHM [O-]c1ccc(F)c(CN2C[C@@H](F)[C@H](F)C2)c1F ZINC001233393904 978600605 /nfs/dbraw/zinc/60/06/05/978600605.db2.gz QRQSQFIOFOHMLT-RKDXNWHRSA-N -1 3 249.207 2.162 20 0 BEADHM CC[C@H](O)C(=O)Oc1cc(Cl)c([O-])cc1C ZINC001233592069 978639353 /nfs/dbraw/zinc/63/93/53/978639353.db2.gz JHMCBMJCJBCGGR-QMMMGPOBSA-N -1 3 244.674 2.030 20 0 BEADHM [O-]c1coc2ccc(O[C@H]3C=CCC3)cc12 ZINC001233680562 978672694 /nfs/dbraw/zinc/67/26/94/978672694.db2.gz LGLUJVZKIZSRGK-VIFPVBQESA-N -1 3 216.236 2.359 20 0 BEADHM Cc1cc(CN2CCC[C@H](C)C2)[nH]c1C(=O)[O-] ZINC001600194872 978673428 /nfs/dbraw/zinc/67/34/28/978673428.db2.gz BTJCEHGCLGSLTH-VIFPVBQESA-N -1 3 236.315 2.253 20 0 BEADHM Cc1ncsc1C(=O)[N-]c1conc1C ZINC001277812496 978713558 /nfs/dbraw/zinc/71/35/58/978713558.db2.gz XOADAXMVJIRYDM-UHFFFAOYSA-N -1 3 223.257 2.000 20 0 BEADHM CC1=C[C@H](Oc2cccc([O-])c2F)CC(=O)O1 ZINC001233868385 978717762 /nfs/dbraw/zinc/71/77/62/978717762.db2.gz RMQUHXQKYGNKLA-QMMMGPOBSA-N -1 3 238.214 2.129 20 0 BEADHM [O-]c1cccc(O[C@H]2CCOC[C@H]2F)c1F ZINC001233869949 978718187 /nfs/dbraw/zinc/71/81/87/978718187.db2.gz PWLRDMRXPAXVPH-APPZFPTMSA-N -1 3 230.210 2.037 20 0 BEADHM C[C@@H]1C[C@H](Oc2cccc([O-])c2F)CCO1 ZINC001233872587 978720783 /nfs/dbraw/zinc/72/07/83/978720783.db2.gz VUOUSMVTARNQFB-RKDXNWHRSA-N -1 3 226.247 2.478 20 0 BEADHM Cn1c(CN2CCC23CCCC3)ccc1C(=O)[O-] ZINC001600913447 978743047 /nfs/dbraw/zinc/74/30/47/978743047.db2.gz AYFCJFVMHDGWLK-UHFFFAOYSA-N -1 3 248.326 2.242 20 0 BEADHM O=C([O-])[C@H](N[C@H]1C=CCC1)c1ccccc1F ZINC001601668653 978828471 /nfs/dbraw/zinc/82/84/71/978828471.db2.gz OSRWTJIPFGWLHZ-JOYOIKCWSA-N -1 3 235.258 2.260 20 0 BEADHM CCOC[C@H](C)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234445491 978836281 /nfs/dbraw/zinc/83/62/81/978836281.db2.gz AIVJLVMPBOMIRW-QMMMGPOBSA-N -1 3 236.271 2.072 20 0 BEADHM CC[C@@H](COc1nc2c(cccc2[O-])[nH]1)OC ZINC001234445856 978836616 /nfs/dbraw/zinc/83/66/16/978836616.db2.gz CSCFPDIAJOIJCV-QMMMGPOBSA-N -1 3 236.271 2.072 20 0 BEADHM [O-]c1cc(Cl)cc(F)c1OC[C@H]1CCO1 ZINC001234448175 978839305 /nfs/dbraw/zinc/83/93/05/978839305.db2.gz QDSRSPPGQPNBJU-SSDOTTSWSA-N -1 3 232.638 2.352 20 0 BEADHM C[C@@H](Oc1nc2c(cccc2[O-])[nH]1)C1CC1 ZINC001234449745 978840194 /nfs/dbraw/zinc/84/01/94/978840194.db2.gz RAISFSYPHAXNJY-SSDOTTSWSA-N -1 3 218.256 2.446 20 0 BEADHM COCCCN(C)Cc1ccc([O-])c(F)c1F ZINC001180257261 978850870 /nfs/dbraw/zinc/85/08/70/978850870.db2.gz CGVHQLPFTUXEEQ-UHFFFAOYSA-N -1 3 245.269 2.139 20 0 BEADHM O=C([O-])CC1(NC/C(Cl)=C\Cl)CCC1 ZINC001601933150 978868481 /nfs/dbraw/zinc/86/84/81/978868481.db2.gz NVMJGOFOXWBYBE-FNORWQNLSA-N -1 3 238.114 2.292 20 0 BEADHM C[C@]1(C(=O)Nc2ccc(F)c([O-])c2)CCCO1 ZINC001180471516 978892849 /nfs/dbraw/zinc/89/28/49/978892849.db2.gz CNDHHRUQNKMGKY-GFCCVEGCSA-N -1 3 239.246 2.039 20 0 BEADHM CC[C@@H](COc1nc2ccsc2[n-]1)OC ZINC001234849192 978916831 /nfs/dbraw/zinc/91/68/31/978916831.db2.gz ZNWGVBHEUITEBJ-ZETCQYMHSA-N -1 3 226.301 2.428 20 0 BEADHM CC[C@@H](COc1nc2sccc2[n-]1)OC ZINC001234849192 978916838 /nfs/dbraw/zinc/91/68/38/978916838.db2.gz ZNWGVBHEUITEBJ-ZETCQYMHSA-N -1 3 226.301 2.428 20 0 BEADHM c1cn2c(n1)[C@H](Oc1nc3ccsc3[n-]1)CC2 ZINC001234851542 978917662 /nfs/dbraw/zinc/91/76/62/978917662.db2.gz LVQBSLPDIRKQDN-MRVPVSSYSA-N -1 3 246.295 2.345 20 0 BEADHM O=C([O-])c1ccc(CN[C@H]2CC23CC3)c(F)c1 ZINC001602345617 979106719 /nfs/dbraw/zinc/10/67/19/979106719.db2.gz MDOIFMMKMIBHTN-NSHDSACASA-N -1 3 235.258 2.166 20 0 BEADHM O=C([O-])c1ccc(CNCc2cccc(F)c2)[nH]1 ZINC001602348927 979108605 /nfs/dbraw/zinc/10/86/05/979108605.db2.gz VYCAIOTUBFVROL-UHFFFAOYSA-N -1 3 248.257 2.142 20 0 BEADHM Nc1cc(-c2cc([O-])cc(Cl)c2)ncn1 ZINC001235899406 979190914 /nfs/dbraw/zinc/19/09/14/979190914.db2.gz QHCFDWSRZCOTRA-UHFFFAOYSA-N -1 3 221.647 2.085 20 0 BEADHM CCC1(CC)C[C@@H]1C(=O)NCc1ncccc1[O-] ZINC001181889974 979358840 /nfs/dbraw/zinc/35/88/40/979358840.db2.gz XSSYDCYKFCCAFO-SNVBAGLBSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@H](Sc1cc(-c2nnn[n-]2)ccn1)C1CC1 ZINC001603720209 979507639 /nfs/dbraw/zinc/50/76/39/979507639.db2.gz AMPOKDVLYJRTIL-ZETCQYMHSA-N -1 3 247.327 2.152 20 0 BEADHM C[C@H](Sc1cc(-c2nn[n-]n2)ccn1)C1CC1 ZINC001603720209 979507647 /nfs/dbraw/zinc/50/76/47/979507647.db2.gz AMPOKDVLYJRTIL-ZETCQYMHSA-N -1 3 247.327 2.152 20 0 BEADHM CSc1cnc(=NOCC(C)C)[n-]c1 ZINC001341821054 979567472 /nfs/dbraw/zinc/56/74/72/979567472.db2.gz XGAUHYLBJUCQQL-UHFFFAOYSA-N -1 3 213.306 2.198 20 0 BEADHM CCC1(Nc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001604091944 979571670 /nfs/dbraw/zinc/57/16/70/979571670.db2.gz KLZJETLIPGYZCG-UHFFFAOYSA-N -1 3 247.277 2.360 20 0 BEADHM CCC1(Nc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001604091944 979571678 /nfs/dbraw/zinc/57/16/78/979571678.db2.gz KLZJETLIPGYZCG-UHFFFAOYSA-N -1 3 247.277 2.360 20 0 BEADHM O=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c([O-])c1 ZINC001236698634 979698865 /nfs/dbraw/zinc/69/88/65/979698865.db2.gz JAMBYDZRNBUIOI-PHIMTYICSA-N -1 3 249.285 2.227 20 0 BEADHM C[C@@H]1C[C@H](F)CN1Cc1ccc(F)c([O-])c1 ZINC001236702801 979699360 /nfs/dbraw/zinc/69/93/60/979699360.db2.gz MGGLBYJELFSQQM-SCZZXKLOSA-N -1 3 227.254 2.464 20 0 BEADHM CCCOC1CN(Cc2ccc(F)c([O-])c2)C1 ZINC001236706460 979705041 /nfs/dbraw/zinc/70/50/41/979705041.db2.gz XRBWCRKUNHEWIH-UHFFFAOYSA-N -1 3 239.290 2.142 20 0 BEADHM [O-]c1ccc(F)c(C[C@@H]2CCCO2)c1F ZINC001250102272 979729857 /nfs/dbraw/zinc/72/98/57/979729857.db2.gz GLPLZKCLIJRCHK-ZETCQYMHSA-N -1 3 214.211 2.392 20 0 BEADHM CC[C@H]1CCN1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001605171140 979830751 /nfs/dbraw/zinc/83/07/51/979830751.db2.gz JPOPVRWXGHJCFC-PORFMDCZSA-N -1 3 235.283 2.362 20 0 BEADHM F[C@@H]1CN(Cc2occc2[S-])C[C@H]1F ZINC001237183158 979833119 /nfs/dbraw/zinc/83/31/19/979833119.db2.gz WGCTXMBIIMIHKW-RNFRBKRXSA-N -1 3 219.256 2.060 20 0 BEADHM CN(Cc1ccno1)Cc1cc([O-])cc(F)c1 ZINC001237280010 979858125 /nfs/dbraw/zinc/85/81/25/979858125.db2.gz AIHIOYOUMCSCCE-UHFFFAOYSA-N -1 3 236.246 2.151 20 0 BEADHM C[C@@H]1CN(Cc2cc([O-])cc(F)c2)C[C@@H]1F ZINC001237285560 979864541 /nfs/dbraw/zinc/86/45/41/979864541.db2.gz VSNJWPAMKBMQBB-PELKAZGASA-N -1 3 227.254 2.321 20 0 BEADHM CC(C)CO[N-]C(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001343120186 980015538 /nfs/dbraw/zinc/01/55/38/980015538.db2.gz DSTXLDWOHOVPIH-NWDGAFQWSA-N -1 3 241.331 2.038 20 0 BEADHM Cc1nc(NC(=O)[C@H]2CCC[C@@H](C)C2)cc(=O)[n-]1 ZINC001184502239 980095011 /nfs/dbraw/zinc/09/50/11/980095011.db2.gz GOYUUGFQLNUKSL-SCZZXKLOSA-N -1 3 249.314 2.255 20 0 BEADHM Cc1ccc(CNCc2ccc(C(=O)[O-])[nH]2)cc1 ZINC001607782624 980127246 /nfs/dbraw/zinc/12/72/46/980127246.db2.gz ZVYRYRTYHPTLCP-UHFFFAOYSA-N -1 3 244.294 2.311 20 0 BEADHM Cc1oc(CN(C2CC2)C2CC2)cc1C(=O)[O-] ZINC001608048269 980155580 /nfs/dbraw/zinc/15/55/80/980155580.db2.gz HKIYPHWQURTVCB-UHFFFAOYSA-N -1 3 235.283 2.413 20 0 BEADHM CC(=O)c1cccc([O-])c1NC(=O)NCC1CC1 ZINC001186614271 980413954 /nfs/dbraw/zinc/41/39/54/980413954.db2.gz HARSMYYJVXYSBN-UHFFFAOYSA-N -1 3 248.282 2.126 20 0 BEADHM Cc1cc(F)c(CNC[C@H](C)C(=O)[O-])c(F)c1 ZINC001345632099 980653754 /nfs/dbraw/zinc/65/37/54/980653754.db2.gz FQISYLXZSCKLEP-QMMMGPOBSA-N -1 3 243.253 2.084 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CC(F)(C2CC2)C1 ZINC001188638093 980684121 /nfs/dbraw/zinc/68/41/21/980684121.db2.gz HPZBCWXBYPILLU-UHFFFAOYSA-N -1 3 249.285 2.275 20 0 BEADHM CCc1cc([N-]C(=O)Nc2nccs2)on1 ZINC001189346103 980768583 /nfs/dbraw/zinc/76/85/83/980768583.db2.gz RPIOFEYMSMCBSC-UHFFFAOYSA-N -1 3 238.272 2.338 20 0 BEADHM Cc1noc(Cc2ccc(Cl)cc2[O-])n1 ZINC001250357820 980857182 /nfs/dbraw/zinc/85/71/82/980857182.db2.gz OXNJUVDRHJDSQR-UHFFFAOYSA-N -1 3 224.647 2.328 20 0 BEADHM Cc1cc(Cc2cc(F)cc(F)c2[O-])n(C)n1 ZINC001250419998 980999061 /nfs/dbraw/zinc/99/90/61/980999061.db2.gz QEHRFLOGELIXGK-UHFFFAOYSA-N -1 3 238.237 2.303 20 0 BEADHM Cc1ccc([O-])c(NC(=O)Nc2ccccn2)n1 ZINC001191299536 981010710 /nfs/dbraw/zinc/01/07/10/981010710.db2.gz QDTJZERXYDKWCP-UHFFFAOYSA-N -1 3 244.254 2.135 20 0 BEADHM S=c1ccc(-c2ccc3nccn3c2)n[n-]1 ZINC001240217018 981167912 /nfs/dbraw/zinc/16/79/12/981167912.db2.gz XHQSTUTXVCCMGJ-UHFFFAOYSA-N -1 3 228.280 2.080 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCc3ccsc3C2)n1 ZINC001348062482 981267985 /nfs/dbraw/zinc/26/79/85/981267985.db2.gz DENIPTNNGGCEQI-UHFFFAOYSA-N -1 3 247.323 2.115 20 0 BEADHM Cc1cc(=O)[n-]c(N2CC(F)(F)CC[C@H]2C)n1 ZINC001348397030 981355603 /nfs/dbraw/zinc/35/56/03/981355603.db2.gz HFRNYENZDATPNY-MRVPVSSYSA-N -1 3 243.257 2.115 20 0 BEADHM O=C(Nc1cnc[n-]c1=O)OC1CCCCC1 ZINC001193609349 981383548 /nfs/dbraw/zinc/38/35/48/981383548.db2.gz XSRHRRMCLWOEKY-UHFFFAOYSA-N -1 3 237.259 2.063 20 0 BEADHM CCCCOC(=O)[N-]C1=NCC(=O)C=C1C ZINC001193669092 981403266 /nfs/dbraw/zinc/40/32/66/981403266.db2.gz IDGFGBOFSUUVIX-UHFFFAOYSA-N -1 3 224.260 2.444 20 0 BEADHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC001240717566 981738137 /nfs/dbraw/zinc/73/81/37/981738137.db2.gz BDJYKOMWVARHRK-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC001240717566 981738144 /nfs/dbraw/zinc/73/81/44/981738144.db2.gz BDJYKOMWVARHRK-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM COc1cc(-c2cc(N)ccn2)ccc1C(=O)[O-] ZINC001240740723 981803928 /nfs/dbraw/zinc/80/39/28/981803928.db2.gz XULACRCYCAEBCN-UHFFFAOYSA-N -1 3 244.250 2.038 20 0 BEADHM [O-]c1ccc(-c2ncnc3c2CCC3)cc1F ZINC001240783433 981821831 /nfs/dbraw/zinc/82/18/31/981821831.db2.gz QLKZRGGLOWMTPR-UHFFFAOYSA-N -1 3 230.242 2.477 20 0 BEADHM O=C1NCc2cc(-c3ccc([O-])c(F)c3)ccc21 ZINC001240785500 981825779 /nfs/dbraw/zinc/82/57/79/981825779.db2.gz BWCXNFSVJXRWIE-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM COc1ncc(-c2ccc([O-])c(F)c2)c(C)n1 ZINC001240786402 981829378 /nfs/dbraw/zinc/82/93/78/981829378.db2.gz KNDFTUFTCQCBGJ-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM Cn1ccc2nc(-c3ccc([O-])c(F)c3)cnc21 ZINC001240787037 981831418 /nfs/dbraw/zinc/83/14/18/981831418.db2.gz ICKPDBBUKMFXOV-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM CC(C)n1nc(-c2ccc([O-])c(F)c2)ccc1=O ZINC001240789708 981835196 /nfs/dbraw/zinc/83/51/96/981835196.db2.gz BAWSZHNFETVXBC-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM Cc1ncc(NC(=O)OCCC(C)C)c(=O)[n-]1 ZINC001194851749 981933372 /nfs/dbraw/zinc/93/33/72/981933372.db2.gz UKVZUQXQTNMKJG-UHFFFAOYSA-N -1 3 239.275 2.085 20 0 BEADHM Cc1nc(NC(=O)OCCC(C)C)cc(=O)[n-]1 ZINC001194844790 981955733 /nfs/dbraw/zinc/95/57/33/981955733.db2.gz BZFMRYLDTHRVLG-UHFFFAOYSA-N -1 3 239.275 2.085 20 0 BEADHM Cc1nc(-c2ccccc2[O-])cc(N(C)C)n1 ZINC001241001727 982086104 /nfs/dbraw/zinc/08/61/04/982086104.db2.gz GOHZIIUQBKNVNH-UHFFFAOYSA-N -1 3 229.283 2.224 20 0 BEADHM COc1cc(-c2ccccc2[O-])nc(C)n1 ZINC001241002876 982087607 /nfs/dbraw/zinc/08/76/07/982087607.db2.gz BDFABFGXJJXCFF-UHFFFAOYSA-N -1 3 216.240 2.166 20 0 BEADHM CCOC(=O)c1cc(-c2ccccc2[O-])ncn1 ZINC001241001837 982088443 /nfs/dbraw/zinc/08/84/43/982088443.db2.gz JOTASFWUESPWTD-UHFFFAOYSA-N -1 3 244.250 2.026 20 0 BEADHM Cc1ncnc(-c2ccccc2[O-])c1F ZINC001241003127 982090049 /nfs/dbraw/zinc/09/00/49/982090049.db2.gz HPAWBFVLUJSOMY-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM COc1ncnc(-c2ccccc2[O-])c1C ZINC001241003828 982092950 /nfs/dbraw/zinc/09/29/50/982092950.db2.gz VDXIARHBRGUCRU-UHFFFAOYSA-N -1 3 216.240 2.166 20 0 BEADHM COc1cnc(C)nc1-c1ccccc1[O-] ZINC001241008211 982096480 /nfs/dbraw/zinc/09/64/80/982096480.db2.gz OOBQIXIJCXMKSA-UHFFFAOYSA-N -1 3 216.240 2.166 20 0 BEADHM CCOc1nccnc1-c1ccccc1[O-] ZINC001241009535 982101181 /nfs/dbraw/zinc/10/11/81/982101181.db2.gz UMKLZKLAHVWEJW-UHFFFAOYSA-N -1 3 216.240 2.248 20 0 BEADHM Cc1ccc(-c2ncncc2F)c([O-])c1 ZINC001241028707 982124505 /nfs/dbraw/zinc/12/45/05/982124505.db2.gz RPADHWGHDXWHRZ-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM COCc1nccnc1-c1ccc(C)cc1[O-] ZINC001241030617 982126278 /nfs/dbraw/zinc/12/62/78/982126278.db2.gz PHRVKDMWVHKGGD-UHFFFAOYSA-N -1 3 230.267 2.304 20 0 BEADHM Cc1ccc(-c2ncnc3c2COC3)c([O-])c1 ZINC001241035765 982136674 /nfs/dbraw/zinc/13/66/74/982136674.db2.gz GTROHKZFQTXCCX-UHFFFAOYSA-N -1 3 228.251 2.188 20 0 BEADHM Cn1cnc2ccc(-c3cc([O-])cc(F)c3)nc21 ZINC001241256652 982395346 /nfs/dbraw/zinc/39/53/46/982395346.db2.gz ZNIOIYYFOMWLQL-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM [O-]c1cc(F)cc(-c2ccnc(F)n2)c1 ZINC001241263031 982400854 /nfs/dbraw/zinc/40/08/54/982400854.db2.gz WXVLXNHYPGILMN-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM Nc1cn2ccc(-c3cc([O-])cc(F)c3)cc2n1 ZINC001241267057 982403108 /nfs/dbraw/zinc/40/31/08/982403108.db2.gz SKADGCZBVAVKOO-UHFFFAOYSA-N -1 3 243.241 2.428 20 0 BEADHM COC(=O)c1ccncc1-c1cc([O-])cc(F)c1 ZINC001241267043 982403322 /nfs/dbraw/zinc/40/33/22/982403322.db2.gz RYHOGUYGZZDTLF-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM O=C1Cc2c(nccc2-c2cc([O-])cc(F)c2)N1 ZINC001241272799 982404690 /nfs/dbraw/zinc/40/46/90/982404690.db2.gz ZHGDMRPJZUSVSH-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM Cc1cc(-c2c(F)ccc([O-])c2F)n(C)n1 ZINC001241291290 982432969 /nfs/dbraw/zinc/43/29/69/982432969.db2.gz LLZKNLMVKRPZAT-UHFFFAOYSA-N -1 3 224.210 2.379 20 0 BEADHM [O-]c1ccc(F)c(-c2cnc3nccn3c2)c1F ZINC001241292735 982435684 /nfs/dbraw/zinc/43/56/84/982435684.db2.gz IUMQSVZGSKNPFC-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM CCCCCNC(=S)Nc1cncc([O-])c1 ZINC001200044600 982529559 /nfs/dbraw/zinc/52/95/59/982529559.db2.gz HMXPBYMSZONLGI-UHFFFAOYSA-N -1 3 239.344 2.264 20 0 BEADHM CC(C)(C)CCNc1cc(-c2nnn[n-]2)ccn1 ZINC001589127523 982629355 /nfs/dbraw/zinc/62/93/55/982629355.db2.gz WHHVHGAFJABSTD-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CC(C)(C)CCNc1cc(-c2nn[n-]n2)ccn1 ZINC001589127523 982629360 /nfs/dbraw/zinc/62/93/60/982629360.db2.gz WHHVHGAFJABSTD-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cncs1 ZINC001241499932 982660443 /nfs/dbraw/zinc/66/04/43/982660443.db2.gz GXEDNAQGAAAESO-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cncs1 ZINC001241499932 982660447 /nfs/dbraw/zinc/66/04/47/982660447.db2.gz GXEDNAQGAAAESO-UHFFFAOYSA-N -1 3 243.295 2.299 20 0 BEADHM Nc1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC001241540299 982718606 /nfs/dbraw/zinc/71/86/06/982718606.db2.gz HCNNMQCAXLMMTG-UHFFFAOYSA-N -1 3 203.270 2.015 20 0 BEADHM C=CS(=O)(=O)[N-]c1cc2ccccc2cn1 ZINC001198569822 982764634 /nfs/dbraw/zinc/76/46/34/982764634.db2.gz NLMKPYMIWVSCGV-UHFFFAOYSA-N -1 3 234.280 2.120 20 0 BEADHM C=CS(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC001198556191 982776135 /nfs/dbraw/zinc/77/61/35/982776135.db2.gz MGMZUTREDVXHSG-UHFFFAOYSA-N -1 3 234.280 2.120 20 0 BEADHM C=CS(=O)(=O)Nc1ccc(C)c([O-])c1Cl ZINC001198611338 982802580 /nfs/dbraw/zinc/80/25/80/982802580.db2.gz YYOHSJPFVGBMRR-UHFFFAOYSA-N -1 3 247.703 2.239 20 0 BEADHM CC1(CCNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590126697 982894517 /nfs/dbraw/zinc/89/45/17/982894517.db2.gz GWSJHIZOLPLCMD-UHFFFAOYSA-N -1 3 243.314 2.469 20 0 BEADHM CC1CC(Nc2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001590206282 982897884 /nfs/dbraw/zinc/89/78/84/982897884.db2.gz HUVWUHCYTSVWFB-UHFFFAOYSA-N -1 3 247.277 2.216 20 0 BEADHM CC1CC(Nc2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001590206282 982897888 /nfs/dbraw/zinc/89/78/88/982897888.db2.gz HUVWUHCYTSVWFB-UHFFFAOYSA-N -1 3 247.277 2.216 20 0 BEADHM CC1=CCCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590162113 982898365 /nfs/dbraw/zinc/89/83/65/982898365.db2.gz YVMBXMNIZMQEEE-UHFFFAOYSA-N -1 3 241.298 2.023 20 0 BEADHM C[C@@H]1C[C@H]1CNc1ccc(-c2nn[n-]n2)cc1F ZINC001590219355 982903401 /nfs/dbraw/zinc/90/34/01/982903401.db2.gz JBFRCINFCZVOBH-APPZFPTMSA-N -1 3 247.277 2.074 20 0 BEADHM C/C=C/CSCc1cncc(-c2nnn[n-]2)c1 ZINC001590356380 982937264 /nfs/dbraw/zinc/93/72/64/982937264.db2.gz YWZNJHGBOGRTOO-NSCUHMNNSA-N -1 3 247.327 2.071 20 0 BEADHM C/C=C/CSCc1cncc(-c2nn[n-]n2)c1 ZINC001590356380 982937272 /nfs/dbraw/zinc/93/72/72/982937272.db2.gz YWZNJHGBOGRTOO-NSCUHMNNSA-N -1 3 247.327 2.071 20 0 BEADHM CC[C@H]1CC[C@H]1Nc1cccc(-c2nnn[n-]2)c1 ZINC001590507716 982955763 /nfs/dbraw/zinc/95/57/63/982955763.db2.gz GLAVRTMTJCGTIT-JOYOIKCWSA-N -1 3 243.314 2.467 20 0 BEADHM CC[C@H]1CC[C@H]1Nc1cccc(-c2nn[n-]n2)c1 ZINC001590507716 982955772 /nfs/dbraw/zinc/95/57/72/982955772.db2.gz GLAVRTMTJCGTIT-JOYOIKCWSA-N -1 3 243.314 2.467 20 0 BEADHM OCc1cc(-c2ccc(=S)[n-]n2)ccc1F ZINC001241780779 983045133 /nfs/dbraw/zinc/04/51/33/983045133.db2.gz DLOYRFRPJXPWPR-UHFFFAOYSA-N -1 3 236.271 2.064 20 0 BEADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001591731938 983089284 /nfs/dbraw/zinc/08/92/84/983089284.db2.gz VJWLGJQXMPVLIQ-MRVPVSSYSA-N -1 3 246.318 2.108 20 0 BEADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001591731938 983089292 /nfs/dbraw/zinc/08/92/92/983089292.db2.gz VJWLGJQXMPVLIQ-MRVPVSSYSA-N -1 3 246.318 2.108 20 0 BEADHM CC(C)CONC(=O)N([O-])Cc1ccccc1 ZINC001353963263 983099588 /nfs/dbraw/zinc/09/95/88/983099588.db2.gz NYNOEMBEGUTLBW-UHFFFAOYSA-N -1 3 238.287 2.175 20 0 BEADHM Cc1cc(=O)[n-]c(NCCSC(C)C)n1 ZINC001354193271 983190662 /nfs/dbraw/zinc/19/06/62/983190662.db2.gz DHMQYCULVXWUQQ-UHFFFAOYSA-N -1 3 227.333 2.044 20 0 BEADHM Fc1ccc(N[C@H]2C=CCC2)c(-c2nnn[n-]2)c1 ZINC001592651283 983190878 /nfs/dbraw/zinc/19/08/78/983190878.db2.gz UROUMOZLPWDGFN-VIFPVBQESA-N -1 3 245.261 2.136 20 0 BEADHM Fc1ccc(N[C@H]2C=CCC2)c(-c2nn[n-]n2)c1 ZINC001592651283 983190885 /nfs/dbraw/zinc/19/08/85/983190885.db2.gz UROUMOZLPWDGFN-VIFPVBQESA-N -1 3 245.261 2.136 20 0 BEADHM c1cc(OCC2CCCC2)cc(-c2nnn[n-]2)c1 ZINC001593561841 983303287 /nfs/dbraw/zinc/30/32/87/983303287.db2.gz UVXOYKKCZMGGJT-UHFFFAOYSA-N -1 3 244.298 2.436 20 0 BEADHM c1cc(OCC2CCCC2)cc(-c2nn[n-]n2)c1 ZINC001593561841 983303293 /nfs/dbraw/zinc/30/32/93/983303293.db2.gz UVXOYKKCZMGGJT-UHFFFAOYSA-N -1 3 244.298 2.436 20 0 BEADHM c1cn(CC23CCC(CC2)C3)cc1-c1nnn[n-]1 ZINC001593582680 983307032 /nfs/dbraw/zinc/30/70/32/983307032.db2.gz XNCYVOFKEUAOQJ-UHFFFAOYSA-N -1 3 243.314 2.249 20 0 BEADHM c1cn(CC23CCC(CC2)C3)cc1-c1nn[n-]n1 ZINC001593582680 983307041 /nfs/dbraw/zinc/30/70/41/983307041.db2.gz XNCYVOFKEUAOQJ-UHFFFAOYSA-N -1 3 243.314 2.249 20 0 BEADHM Cc1noc(C)c1-c1cccc(-c2nnn[n-]2)c1 ZINC001242107258 983352576 /nfs/dbraw/zinc/35/25/76/983352576.db2.gz AXVIDKVJUBBMEI-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM Cc1noc(C)c1-c1cccc(-c2nn[n-]n2)c1 ZINC001242107258 983352588 /nfs/dbraw/zinc/35/25/88/983352588.db2.gz AXVIDKVJUBBMEI-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM Nc1ccccc1C(=S)Nc1cncc([O-])c1 ZINC001201641653 983393326 /nfs/dbraw/zinc/39/33/26/983393326.db2.gz KBXJJNDHWGGGBN-UHFFFAOYSA-N -1 3 245.307 2.157 20 0 BEADHM CC(C)OC(=O)Nc1ccc([O-])cc1F ZINC000082879419 983488420 /nfs/dbraw/zinc/48/84/20/983488420.db2.gz KQHNKUSPBWWCJG-UHFFFAOYSA-N -1 3 213.208 2.488 20 0 BEADHM O=C(Nc1ccccc1)Nc1cncc([O-])c1 ZINC001201945944 983515787 /nfs/dbraw/zinc/51/57/87/983515787.db2.gz ATGJCWOTUMXKCJ-UHFFFAOYSA-N -1 3 229.239 2.431 20 0 BEADHM CCC[C@@H](NCc1nc(Cl)cs1)C(=O)[O-] ZINC001356119692 983576563 /nfs/dbraw/zinc/57/65/63/983576563.db2.gz RABHLJVHCGKSEK-ZCFIWIBFSA-N -1 3 248.735 2.139 20 0 BEADHM Nc1cnccc1-c1cccc(F)c1[O-] ZINC001242351564 983622587 /nfs/dbraw/zinc/62/25/87/983622587.db2.gz WPFMBHRZJKWMRW-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM CCCNC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001202594831 984118571 /nfs/dbraw/zinc/11/85/71/984118571.db2.gz VKCSPERZRMZWEG-UHFFFAOYSA-N -1 3 236.271 2.126 20 0 BEADHM CCS(=O)(=O)Nc1ccc(C)c([O-])c1Cl ZINC001253354963 984127971 /nfs/dbraw/zinc/12/79/71/984127971.db2.gz CULUEZMWBIZCCR-UHFFFAOYSA-N -1 3 249.719 2.116 20 0 BEADHM Cc1c(N)ccnc1-c1ccccc1C(=O)[O-] ZINC001242876814 984215718 /nfs/dbraw/zinc/21/57/18/984215718.db2.gz JRQSYWJQXQWAKA-UHFFFAOYSA-N -1 3 228.251 2.337 20 0 BEADHM Cc1cncc(-c2ccc(F)c([O-])c2)n1 ZINC001243047248 984388703 /nfs/dbraw/zinc/38/87/03/984388703.db2.gz DNAXESLRKFJSHW-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM O=C1NCc2ccc(-c3ccc(F)c([O-])c3)cc21 ZINC001243047485 984390698 /nfs/dbraw/zinc/39/06/98/984390698.db2.gz DKYLBNTZBGNVTC-UHFFFAOYSA-N -1 3 243.237 2.442 20 0 BEADHM Cc1cc(C(N)=O)cc(-c2ccc(F)c([O-])c2)n1 ZINC001243049725 984399784 /nfs/dbraw/zinc/39/97/84/984399784.db2.gz PHZNWPLFTCHLPZ-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM [O-]c1cc(-c2ncnc3[nH]ccc32)ccc1F ZINC001243051365 984413326 /nfs/dbraw/zinc/41/33/26/984413326.db2.gz RFAVOEZAMWGGIW-UHFFFAOYSA-N -1 3 229.214 2.421 20 0 BEADHM COc1nnc(-c2ccc(F)c([O-])c2)cc1C ZINC001243054403 984418970 /nfs/dbraw/zinc/41/89/70/984418970.db2.gz PBJNGBDBNXJCMY-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM COc1nc(C)cc(-c2ccc(F)c([O-])c2)n1 ZINC001243054352 984424291 /nfs/dbraw/zinc/42/42/91/984424291.db2.gz NUOLZJHFQUXYJC-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM Cc1occc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001243062472 984447651 /nfs/dbraw/zinc/44/76/51/984447651.db2.gz RMMKMXYTZBWLLN-UHFFFAOYSA-N -1 3 240.266 2.359 20 0 BEADHM Cc1occc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001243062472 984447665 /nfs/dbraw/zinc/44/76/65/984447665.db2.gz RMMKMXYTZBWLLN-UHFFFAOYSA-N -1 3 240.266 2.359 20 0 BEADHM Cc1cnc([N-]C(=O)c2cc(Cl)no2)s1 ZINC001441729582 984483355 /nfs/dbraw/zinc/48/33/55/984483355.db2.gz CEOUWUCXZPQHFS-UHFFFAOYSA-N -1 3 243.675 2.345 20 0 BEADHM Cc1conc1C(=O)Nc1cccc([O-])c1F ZINC001446238446 984632201 /nfs/dbraw/zinc/63/22/01/984632201.db2.gz HDTGEVVWYLUVIC-UHFFFAOYSA-N -1 3 236.202 2.080 20 0 BEADHM Cc1cc(-c2ccnc(CN)c2)ccc1C(=O)[O-] ZINC001243215612 984721731 /nfs/dbraw/zinc/72/17/31/984721731.db2.gz UIIIDJBXXTWEPG-UHFFFAOYSA-N -1 3 242.278 2.214 20 0 BEADHM C/C(=C\CN1CCC[C@H]1c1cccnc1)C(=O)[O-] ZINC001588959945 984729461 /nfs/dbraw/zinc/72/94/61/984729461.db2.gz VHQGFSXXCHBICF-VKUYVZBCSA-N -1 3 246.310 2.249 20 0 BEADHM C/C(=C\C(=O)[O-])CN1CC[C@H]1c1ccccc1 ZINC001588948577 984944426 /nfs/dbraw/zinc/94/44/26/984944426.db2.gz IZDMDXAUJVRXGM-STRFDMGBSA-N -1 3 231.295 2.464 20 0 BEADHM C/C(=C/c1ccccc1)CN[C@H](CF)C(=O)[O-] ZINC001589003671 984954854 /nfs/dbraw/zinc/95/48/54/984954854.db2.gz HMNKIBNESVGKSR-MQGYJPLLSA-N -1 3 237.274 2.102 20 0 BEADHM C[C@H](CC(=O)[O-])N[C@H]1C[C@]1(F)c1ccccc1 ZINC001589004455 984979779 /nfs/dbraw/zinc/97/97/79/984979779.db2.gz HXIIRCMVALIPKA-CDMKHQONSA-N -1 3 237.274 2.077 20 0 BEADHM CCc1ccc(C(=O)NCC(C)(C)F)c([O-])c1 ZINC001454550998 985039929 /nfs/dbraw/zinc/03/99/29/985039929.db2.gz KPNMLJQQASDNCR-UHFFFAOYSA-N -1 3 239.290 2.433 20 0 BEADHM COc1nc(C)cc(-c2cccc([O-])c2F)n1 ZINC001243541853 985063654 /nfs/dbraw/zinc/06/36/54/985063654.db2.gz JYCFQGBCSRGRTL-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM CN(C)c1cnc(-c2cccc([O-])c2F)cn1 ZINC001243541562 985072298 /nfs/dbraw/zinc/07/22/98/985072298.db2.gz GPPZUFPANJUQEA-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM CCN(C)c1cc(-c2cccc([O-])c2F)ncn1 ZINC001243542110 985078747 /nfs/dbraw/zinc/07/87/47/985078747.db2.gz LGFOUCKHHNXGOT-UHFFFAOYSA-N -1 3 247.273 2.444 20 0 BEADHM Nc1ccnc(-c2cccc([O-])c2F)c1 ZINC001243541938 985079197 /nfs/dbraw/zinc/07/91/97/985079197.db2.gz JYCKKSABARWQKE-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM [O-]c1cccc(-c2cnc3c(c2)OCCO3)c1F ZINC001243545037 985082581 /nfs/dbraw/zinc/08/25/81/985082581.db2.gz OLSNHZXEVRCMEY-UHFFFAOYSA-N -1 3 247.225 2.365 20 0 BEADHM O=c1occcc1-c1cccc([O-])c1F ZINC001243545402 985083910 /nfs/dbraw/zinc/08/39/10/985083910.db2.gz IPBPPQDUIAYVGY-UHFFFAOYSA-N -1 3 206.172 2.152 20 0 BEADHM COc1nccc(-c2cccc([O-])c2F)c1N ZINC001243545083 985086202 /nfs/dbraw/zinc/08/62/02/985086202.db2.gz QHLHJGZQEYSBMF-UHFFFAOYSA-N -1 3 234.230 2.184 20 0 BEADHM Cc1ncc(-c2cccc([O-])c2F)cn1 ZINC001243545079 985086789 /nfs/dbraw/zinc/08/67/89/985086789.db2.gz QBKJEPZPUBPUKT-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM [O-]c1cccc(-c2cc3nccc-3[n-][nH+]2)c1F ZINC001243546088 985087645 /nfs/dbraw/zinc/08/76/45/985087645.db2.gz IESOZYYXFVKYEK-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM COC(=O)c1cnccc1-c1cccc([O-])c1F ZINC001243545850 985088906 /nfs/dbraw/zinc/08/89/06/985088906.db2.gz QFPFPDVNJUDRLX-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM CC(=O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001589040739 985091995 /nfs/dbraw/zinc/09/19/95/985091995.db2.gz BBUSMKLOEHGDIX-LBPRGKRZSA-N -1 3 249.310 2.017 20 0 BEADHM [O-]c1cccc(-c2cn3ccnc3cn2)c1F ZINC001243547688 985097305 /nfs/dbraw/zinc/09/73/05/985097305.db2.gz VGUJCFKYRLNCEI-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM [O-]c1cccc(-c2ncnn3cccc23)c1F ZINC001243547247 985099857 /nfs/dbraw/zinc/09/98/57/985099857.db2.gz OXIDSJKKQZQBHJ-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cc1cc(CO)cc(-c2ccc(=S)[n-]n2)c1 ZINC001243700474 985234589 /nfs/dbraw/zinc/23/45/89/985234589.db2.gz GAHLXPPSXZUWFM-UHFFFAOYSA-N -1 3 232.308 2.233 20 0 BEADHM CO[C@H]1CC[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC000687208964 985265532 /nfs/dbraw/zinc/26/55/32/985265532.db2.gz VAVAASKSIGXLCR-QWRGUYRKSA-N -1 3 249.310 2.032 20 0 BEADHM S=c1ccc(-c2cccc3c2CCN3)n[n-]1 ZINC001243851791 985491790 /nfs/dbraw/zinc/49/17/90/985491790.db2.gz OBUPBEXYXWDWRL-UHFFFAOYSA-N -1 3 229.308 2.400 20 0 BEADHM O=C(Cc1c[nH]c2ccccc12)[N-]OCC1CC1 ZINC000688541471 985672950 /nfs/dbraw/zinc/67/29/50/985672950.db2.gz ZPZSFOVUNWDMGK-UHFFFAOYSA-N -1 3 244.294 2.168 20 0 BEADHM Cc1[nH]c(CN2CCCC3(CC3)C2)cc1C(=O)[O-] ZINC001599962480 985814166 /nfs/dbraw/zinc/81/41/66/985814166.db2.gz IHENNPRKICSUEZ-UHFFFAOYSA-N -1 3 248.326 2.397 20 0 BEADHM CCCCC[C@H](CC)Nc1cnc(C)[n-]c1=O ZINC001258433600 985875153 /nfs/dbraw/zinc/87/51/53/985875153.db2.gz HBDPRYAVOMTMQK-NWDGAFQWSA-N -1 3 237.347 2.333 20 0 BEADHM [O-]c1cc(F)cnc1Nc1ccc(CCO)cc1 ZINC001212927589 985929840 /nfs/dbraw/zinc/92/98/40/985929840.db2.gz NAOLPGNIHGSLBU-UHFFFAOYSA-N -1 3 248.257 2.205 20 0 BEADHM Cc1c(O)cccc1-c1ccc(=S)[n-]n1 ZINC001244957040 986515711 /nfs/dbraw/zinc/51/57/11/986515711.db2.gz IECLQMMZDRBYII-UHFFFAOYSA-N -1 3 218.281 2.446 20 0 BEADHM O=C([O-])c1ccc(CN2CCC(F)CC2)s1 ZINC000689452142 986619006 /nfs/dbraw/zinc/61/90/06/986619006.db2.gz KFGHVMCRSPZDRW-UHFFFAOYSA-N -1 3 243.303 2.380 20 0 BEADHM Nc1ccc(-c2ccc([O-])cc2Cl)nn1 ZINC001245079576 986619444 /nfs/dbraw/zinc/61/94/44/986619444.db2.gz QODGYWXPVBZWON-UHFFFAOYSA-N -1 3 221.647 2.085 20 0 BEADHM Nc1cc(-c2ccc([O-])cc2Cl)ncn1 ZINC001245078910 986641478 /nfs/dbraw/zinc/64/14/78/986641478.db2.gz MXWXRMMIPGNYDX-UHFFFAOYSA-N -1 3 221.647 2.085 20 0 BEADHM Cn1cccc(-c2ccc([O-])cc2Cl)c1=O ZINC001245082219 986644226 /nfs/dbraw/zinc/64/42/26/986644226.db2.gz RBALSVIJRWROLV-UHFFFAOYSA-N -1 3 235.670 2.411 20 0 BEADHM Cn1ccc(-c2ccc([O-])cc2Cl)n1 ZINC001245080782 986644587 /nfs/dbraw/zinc/64/45/87/986644587.db2.gz YHFURCRNFBSIKZ-UHFFFAOYSA-N -1 3 208.648 2.446 20 0 BEADHM COc1cc(-c2ccc(=S)[n-]n2)ccc1N ZINC001245499731 986880039 /nfs/dbraw/zinc/88/00/39/986880039.db2.gz WOZFZTYREYRRDT-UHFFFAOYSA-N -1 3 233.296 2.023 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)c1cn[nH]c1 ZINC001468456558 986919078 /nfs/dbraw/zinc/91/90/78/986919078.db2.gz ZBZRHJUFFKZIHI-UHFFFAOYSA-N -1 3 237.646 2.021 20 0 BEADHM CCn1ccc(-c2c([O-])cccc2F)cc1=O ZINC001245654841 987029583 /nfs/dbraw/zinc/02/95/83/987029583.db2.gz LZSLUDAANFWPBP-UHFFFAOYSA-N -1 3 233.242 2.380 20 0 BEADHM [O-]c1cccc(F)c1-c1ccc2ncnn2c1 ZINC001245656360 987039000 /nfs/dbraw/zinc/03/90/00/987039000.db2.gz ZODLZHCQIHMMCI-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cc1cccc(-c2cc(=O)n(CCN(C)C)[n-]2)c1 ZINC001245919597 987160955 /nfs/dbraw/zinc/16/09/55/987160955.db2.gz JIDLYYDGTCWFCY-UHFFFAOYSA-N -1 3 245.326 2.126 20 0 BEADHM CC(C)O[N-]C(=O)C[C@H](C)c1cccnc1 ZINC001117770546 987899662 /nfs/dbraw/zinc/89/96/62/987899662.db2.gz XNGASUWJISJERE-JTQLQIEISA-N -1 3 222.288 2.031 20 0 BEADHM Cc1cncc(CCC(=O)[N-]OC(C)(C)C)c1 ZINC001324487503 988855281 /nfs/dbraw/zinc/85/52/81/988855281.db2.gz XBVTYFGVNXXRJH-UHFFFAOYSA-N -1 3 236.315 2.169 20 0 BEADHM CC(C)(C)O[N-]C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001119259454 988868969 /nfs/dbraw/zinc/86/89/69/988868969.db2.gz NNYLLDBGWKLSRF-SNVBAGLBSA-N -1 3 243.347 2.428 20 0 BEADHM CCC[C@H]1CCCN1C(=O)c1ccc(N)cc1[O-] ZINC001514749849 988931733 /nfs/dbraw/zinc/93/17/33/988931733.db2.gz YTYILQLKJASJBX-NSHDSACASA-N -1 3 248.326 2.379 20 0 BEADHM Cc1cnc(NC(=O)c2cccc(C)c2[O-])o1 ZINC001119895763 989457029 /nfs/dbraw/zinc/45/70/29/989457029.db2.gz BDRXSOYVFLOMOL-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM CCCO[N-]C(=O)CC(C1CC1)C1CC1 ZINC001326421231 989549135 /nfs/dbraw/zinc/54/91/35/989549135.db2.gz JAIJHGZWPLKGJC-UHFFFAOYSA-N -1 3 211.305 2.271 20 0 BEADHM Cc1cc(F)c(CNCCCC(=O)[O-])c(F)c1 ZINC001326599738 989623981 /nfs/dbraw/zinc/62/39/81/989623981.db2.gz PTRBKSVDNMONCO-UHFFFAOYSA-N -1 3 243.253 2.228 20 0 BEADHM CC(C)(CC(=O)[O-])NCc1scnc1Cl ZINC001590649530 990339739 /nfs/dbraw/zinc/33/97/39/990339739.db2.gz MHPHEJYZVKUTEA-UHFFFAOYSA-N -1 3 248.735 2.139 20 0 BEADHM O=C([N-]OC1CCC1)c1c(Cl)ccnc1F ZINC001123798970 990672711 /nfs/dbraw/zinc/67/27/11/990672711.db2.gz QTVUUCSAVNUWQX-UHFFFAOYSA-N -1 3 244.653 2.088 20 0 BEADHM CCO/C=C/C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001556853764 990858896 /nfs/dbraw/zinc/85/88/96/990858896.db2.gz SJVCYUMTMXTZGI-BQYQJAHWSA-N -1 3 249.266 2.084 20 0 BEADHM [O-]c1cccnc1CN1CC[C@H](C(F)(F)F)C1 ZINC001138395269 990936614 /nfs/dbraw/zinc/93/66/14/990936614.db2.gz YEVPFDQXVBSMFU-QMMMGPOBSA-N -1 3 246.232 2.171 20 0 BEADHM Cc1ncc(NC2CCCCCCC2)c(=O)[n-]1 ZINC001258237216 991178147 /nfs/dbraw/zinc/17/81/47/991178147.db2.gz FAGGUIVEKLWJMM-LBPRGKRZSA-N -1 3 235.331 2.087 20 0 BEADHM CC(C)OCCO[N-]C(=O)[C@]1(C)CCC[C@@H]1C ZINC000833134791 991236053 /nfs/dbraw/zinc/23/60/53/991236053.db2.gz VQQTUVOQPYXAON-WCQYABFASA-N -1 3 243.347 2.286 20 0 BEADHM CC(C)OCCO[N-]C(=O)[C@@]1(C)CCC[C@H]1C ZINC000833134793 991239334 /nfs/dbraw/zinc/23/93/34/991239334.db2.gz VQQTUVOQPYXAON-YPMHNXCESA-N -1 3 243.347 2.286 20 0 BEADHM C[C@]1(F)CCN(Cc2ccncc2[O-])C[C@H]1F ZINC001140273684 991574286 /nfs/dbraw/zinc/57/42/86/991574286.db2.gz PKJVXAYCIWHCOE-NEPJUHHUSA-N -1 3 242.269 2.059 20 0 BEADHM C[C@@]1(F)CCN(Cc2ccncc2[O-])C[C@H]1F ZINC001140273689 991576314 /nfs/dbraw/zinc/57/63/14/991576314.db2.gz PKJVXAYCIWHCOE-VXGBXAGGSA-N -1 3 242.269 2.059 20 0 BEADHM CN(Cc1ccsc1)Cc1ccncc1[O-] ZINC001140276565 991586283 /nfs/dbraw/zinc/58/62/83/991586283.db2.gz GNFCTXSZQRYOHG-UHFFFAOYSA-N -1 3 234.324 2.481 20 0 BEADHM CC[C@H](C)C[C@H](CC)Nc1cnc(C)[n-]c1=O ZINC001258787559 991763582 /nfs/dbraw/zinc/76/35/82/991763582.db2.gz UUDRDYNWOAMULX-DLOVCJGASA-N -1 3 237.347 2.189 20 0 BEADHM Cc1coc(C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC001566357862 991845464 /nfs/dbraw/zinc/84/54/64/991845464.db2.gz NZONIGYSHUCTBL-UHFFFAOYSA-N -1 3 249.241 2.363 20 0 BEADHM CC/C=C/[N-]S(=O)(=O)c1cc(C)ccc1F ZINC001259641016 991968061 /nfs/dbraw/zinc/96/80/61/991968061.db2.gz WXONSQKINBBKBE-QPJJXVBHSA-N -1 3 243.303 2.336 20 0 BEADHM Cc1ccc([N-]S(=O)(=O)C2CCCC2)nc1 ZINC001259792610 991976948 /nfs/dbraw/zinc/97/69/48/991976948.db2.gz GJBMSSLBTAWHRM-UHFFFAOYSA-N -1 3 240.328 2.074 20 0 BEADHM Cc1ccc(C)c([N-]S(=O)(=O)CC(C)C)n1 ZINC001259878899 992005853 /nfs/dbraw/zinc/00/58/53/992005853.db2.gz XAOJKRIQIZWFNG-UHFFFAOYSA-N -1 3 242.344 2.096 20 0 BEADHM CCc1cccc([N-]S(=O)(=O)[C@@H](C)CC)n1 ZINC001260726149 992140702 /nfs/dbraw/zinc/14/07/02/992140702.db2.gz LXWPRIOQFXIXSV-VIFPVBQESA-N -1 3 242.344 2.184 20 0 BEADHM CC(C)(C)O[N-]C(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001262377496 992868185 /nfs/dbraw/zinc/86/81/85/992868185.db2.gz WXJQSOZMLBGUFW-QWRGUYRKSA-N -1 3 241.331 2.180 20 0 BEADHM C[C@@H](N[C@@H]1CC12CC2)c1cc(C(=O)[O-])co1 ZINC001593220149 994309105 /nfs/dbraw/zinc/30/91/05/994309105.db2.gz QPNSLPNRHBNNFP-GMSGAONNSA-N -1 3 221.256 2.181 20 0 BEADHM COc1cccc(C(=O)[O-])c1CN1C[C@@H](C)[C@H]1C ZINC001599645165 994416178 /nfs/dbraw/zinc/41/61/78/994416178.db2.gz PDVGANJRWMEDMC-NXEZZACHSA-N -1 3 249.310 2.234 20 0 BEADHM C[C@@H](N[C@H]1CC[C@@H](C(=O)[O-])C1)c1nccs1 ZINC001593357174 995006776 /nfs/dbraw/zinc/00/67/76/995006776.db2.gz NNMUIPRTZWCXLT-HLTSFMKQSA-N -1 3 240.328 2.047 20 0 BEADHM CO[C@@H](C)[C@@H](C)N[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001599039250 999105541 /nfs/dbraw/zinc/10/55/41/999105541.db2.gz JEVHXRFHBMQLDM-VGMNWLOBSA-N -1 3 241.287 2.052 20 0 BEADHM CO[C@@H](C)[C@@H](C)N[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599039247 999105629 /nfs/dbraw/zinc/10/56/29/999105629.db2.gz JEVHXRFHBMQLDM-HLTSFMKQSA-N -1 3 241.287 2.052 20 0 BEADHM CC1(C)CN(Cc2c[nH]c(C(=O)[O-])c2)[C@@H]1C1CC1 ZINC001609819434 1170294754 /nfs/dbraw/zinc/29/47/54/1170294754.db2.gz YCJLUXOPDOSMDQ-GFCCVEGCSA-N -1 3 248.326 2.333 20 0 BEADHM CCc1nc[nH]c1C(=O)Nc1ccc(F)cc1[O-] ZINC001611075077 1170427506 /nfs/dbraw/zinc/42/75/06/1170427506.db2.gz WOUHVOVBUAXGEG-UHFFFAOYSA-N -1 3 249.245 2.069 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])c1ccns1 ZINC001624552921 1171041505 /nfs/dbraw/zinc/04/15/05/1171041505.db2.gz WHKSKWYQHXRZGV-UHFFFAOYSA-N -1 3 238.243 2.240 20 0 BEADHM C/C(Cl)=C\C(=O)NCc1ccc([O-])c(F)c1 ZINC001631428532 1171455991 /nfs/dbraw/zinc/45/59/91/1171455991.db2.gz BLSGTWPXSXCPJF-QPJJXVBHSA-N -1 3 243.665 2.290 20 0 BEADHM CC(C)c1nc(CNCCCC(=O)[O-])cs1 ZINC000049277263 1171686986 /nfs/dbraw/zinc/68/69/86/1171686986.db2.gz JXAMWHBYGDPIKJ-UHFFFAOYSA-N -1 3 242.344 2.221 20 0 BEADHM Cc1nc(C(=O)Nc2cccc([O-])c2F)c(C)[nH]1 ZINC001636439047 1171835245 /nfs/dbraw/zinc/83/52/45/1171835245.db2.gz CQPGWQMKTFNRGE-UHFFFAOYSA-N -1 3 249.245 2.124 20 0 BEADHM CCc1cccc(NC(=O)c2nc[n-]n2)c1CC ZINC000489521161 538916890 /nfs/dbraw/zinc/91/68/90/538916890.db2.gz JVDCYOLJXJKIGU-UHFFFAOYSA-N -1 3 244.298 2.182 20 0 BEADHM C[C@H]1[C@@H](C)N(C(=O)c2ccc(O)cc2[O-])C[C@H]1C ZINC000399522576 398169439 /nfs/dbraw/zinc/16/94/39/398169439.db2.gz CZPMLIHKOJKPSV-OPRDCNLKSA-N -1 3 249.310 2.214 20 0 BEADHM CN(Cc1ccoc1C(=O)[O-])C(C)(C)C ZINC000258729372 349514455 /nfs/dbraw/zinc/51/44/55/349514455.db2.gz MUFWRYFLQLBLIW-UHFFFAOYSA-N -1 3 211.261 2.208 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CC2(CC(F)C2)C1 ZINC000626250852 349515099 /nfs/dbraw/zinc/51/50/99/349515099.db2.gz FZWONWWULSBNSB-UHFFFAOYSA-N -1 3 249.285 2.275 20 0 BEADHM Cc1cc([N-]C(=O)c2noc3c2CCCC3)no1 ZINC000000426357 178153175 /nfs/dbraw/zinc/15/31/75/178153175.db2.gz FCDCYUBZSAFOJO-UHFFFAOYSA-N -1 3 247.254 2.102 20 0 BEADHM Cc1ccc(F)cc1CN(C)CCC(=O)[O-] ZINC000163845335 538930535 /nfs/dbraw/zinc/93/05/35/538930535.db2.gz KDQVELOGWGXIDU-UHFFFAOYSA-N -1 3 225.263 2.041 20 0 BEADHM Cc1nc(C[N-]c2nnc(C(F)F)o2)cs1 ZINC000189289683 398223529 /nfs/dbraw/zinc/22/35/29/398223529.db2.gz OIAVNZUEXNYZML-UHFFFAOYSA-N -1 3 246.242 2.384 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000192619136 178202396 /nfs/dbraw/zinc/20/23/96/178202396.db2.gz PECDCQMLVSTTID-QJPTWQEYSA-N -1 3 247.342 2.284 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H](C)[C@@H](C)C2)n1 ZINC000279602222 178202951 /nfs/dbraw/zinc/20/29/51/178202951.db2.gz XDCOPYOYKYROLE-QXEWZRGKSA-N -1 3 235.331 2.139 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C)CC2)n1 ZINC000177912894 178203112 /nfs/dbraw/zinc/20/31/12/178203112.db2.gz FHVYQNGRFZQTAP-NSHDSACASA-N -1 3 235.331 2.284 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N(C)CC(C)C)n1 ZINC000268480150 178203460 /nfs/dbraw/zinc/20/34/60/178203460.db2.gz ZZGPEZIGHPPWJC-JTQLQIEISA-N -1 3 223.320 2.139 20 0 BEADHM CN(Cc1ccccc1F)CC1(C(=O)[O-])CC1 ZINC000258993183 349536127 /nfs/dbraw/zinc/53/61/27/349536127.db2.gz VTCGCTFWSNPAPN-UHFFFAOYSA-N -1 3 237.274 2.122 20 0 BEADHM O=C([O-])c1ccc(CN2C[C@H]3CCC[C@@H]3C2)o1 ZINC000083362248 398278281 /nfs/dbraw/zinc/27/82/81/398278281.db2.gz NNPUGOFFEIDBSG-NXEZZACHSA-N -1 3 235.283 2.210 20 0 BEADHM C[C@H]1[C@@H](C)N(c2ccncc2C(=O)[O-])C[C@H]1C ZINC000399708302 342741079 /nfs/dbraw/zinc/74/10/79/342741079.db2.gz XYAFRGCEKQOLFT-OPRDCNLKSA-N -1 3 234.299 2.261 20 0 BEADHM CCc1c(=O)n(C)[n-]c1-c1cccc(C)c1 ZINC000634583093 342800410 /nfs/dbraw/zinc/80/04/10/342800410.db2.gz KXRMYSCQWSYCDA-LLVKDONJSA-N -1 3 216.284 2.197 20 0 BEADHM C[C@@H](C(=O)[O-])N(C)Cc1ccccc1Cl ZINC000032015455 342797206 /nfs/dbraw/zinc/79/72/06/342797206.db2.gz ZONLBTCOTGZXQO-QMMMGPOBSA-N -1 3 227.691 2.245 20 0 BEADHM Cc1[n-]n(Cc2ccccc2)c(=O)c1C1CC1 ZINC000634583965 342825127 /nfs/dbraw/zinc/82/51/27/342825127.db2.gz NIEJPCIPUSPXFU-CYBMUJFWSA-N -1 3 228.295 2.431 20 0 BEADHM [O-]c1ccc(Cl)c(CN2CCC[C@@H]2CO)c1 ZINC000625103993 342857977 /nfs/dbraw/zinc/85/79/77/342857977.db2.gz GQFNXIZYZYGGCN-SNVBAGLBSA-N -1 3 241.718 2.002 20 0 BEADHM CN(Cc1cc([O-])ccc1Cl)C(C)(C)CO ZINC000625177204 342902670 /nfs/dbraw/zinc/90/26/70/342902670.db2.gz OWFIUIXHBZYVDE-UHFFFAOYSA-N -1 3 243.734 2.248 20 0 BEADHM C[C@H]1CCc2[n-]n(C3CCCC3)c(=O)c21 ZINC000634587890 342932299 /nfs/dbraw/zinc/93/22/99/342932299.db2.gz BTUZDQXKLHPFOE-GZMMTYOYSA-N -1 3 206.289 2.173 20 0 BEADHM Cc1[n-]n(CC2CCCC2)c(=O)c1C1CC1 ZINC000634590980 342939861 /nfs/dbraw/zinc/93/98/61/342939861.db2.gz PPBIGSONLACVKS-LBPRGKRZSA-N -1 3 220.316 2.421 20 0 BEADHM C[C@@H]1CCc2[n-]n(CC3CCCC3)c(=O)c21 ZINC000634591476 342942142 /nfs/dbraw/zinc/94/21/42/342942142.db2.gz DYHWARFURUFSOB-SKDRFNHKSA-N -1 3 220.316 2.421 20 0 BEADHM O=C([O-])CNC1(c2ccccc2Cl)CC1 ZINC000647368915 398344616 /nfs/dbraw/zinc/34/46/16/398344616.db2.gz TUKJATIOQXGPJW-UHFFFAOYSA-N -1 3 225.675 2.003 20 0 BEADHM CCc1cc(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)ccc1[O-] ZINC000487507369 529520302 /nfs/dbraw/zinc/52/03/02/529520302.db2.gz WQRKXMWKNUAYHG-IMRBUKKESA-N -1 3 245.322 2.483 20 0 BEADHM C[C@@H](C1CC1)n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634597303 342973860 /nfs/dbraw/zinc/97/38/60/342973860.db2.gz GUGYYZAPRIXVKF-FYBVGQRMSA-N -1 3 206.289 2.029 20 0 BEADHM C[C@H](C1CC1)n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634597306 342973879 /nfs/dbraw/zinc/97/38/79/342973879.db2.gz GUGYYZAPRIXVKF-XLDPMVHQSA-N -1 3 206.289 2.029 20 0 BEADHM C[C@H](C1CC1)n1[n-]c(=O)c2ccccc2c1=O ZINC000634597661 342974810 /nfs/dbraw/zinc/97/48/10/342974810.db2.gz QFLNCAYSZFVNMR-MRVPVSSYSA-N -1 3 230.267 2.073 20 0 BEADHM CSC1(CNc2ccncc2C(=O)[O-])CC1 ZINC000235193846 342990172 /nfs/dbraw/zinc/99/01/72/342990172.db2.gz ILGBLUIRXCPKKN-UHFFFAOYSA-N -1 3 238.312 2.087 20 0 BEADHM CCc1[n-]n(C[C@H]2CCCO2)c(=O)c1C(C)C ZINC000634598383 342981251 /nfs/dbraw/zinc/98/12/51/342981251.db2.gz JJXZMVZEIRRTFQ-ZYHUDNBSSA-N -1 3 238.331 2.046 20 0 BEADHM CCc1ccc(/C=C/C(=O)[N-]OC2CCC2)o1 ZINC000493624594 529583005 /nfs/dbraw/zinc/58/30/05/529583005.db2.gz SQXGFVMYSLCXBQ-CMDGGOBGSA-N -1 3 235.283 2.456 20 0 BEADHM CCCCCn1[n-]c(C)c(C2CC2)c1=O ZINC000634618680 343017713 /nfs/dbraw/zinc/01/77/13/343017713.db2.gz AAQOPHZNUGWSID-LLVKDONJSA-N -1 3 208.305 2.421 20 0 BEADHM CCCCCn1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634619299 343018519 /nfs/dbraw/zinc/01/85/19/343018519.db2.gz VDTYMZGOLNCWQU-KOLCDFICSA-N -1 3 208.305 2.421 20 0 BEADHM CCCCCn1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000634619301 343018614 /nfs/dbraw/zinc/01/86/14/343018614.db2.gz VDTYMZGOLNCWQU-ONGXEEELSA-N -1 3 208.305 2.421 20 0 BEADHM C[C@@H](n1[n-]c2c(c1=O)[C@H](C)CC2)C(F)(F)F ZINC000634630843 343041539 /nfs/dbraw/zinc/04/15/39/343041539.db2.gz FVWBFQQOUFVQCO-ATRFCDNQSA-N -1 3 234.221 2.182 20 0 BEADHM CC(=O)c1ccccc1[N-]S(=O)(=O)C(C)C ZINC000037657567 343144371 /nfs/dbraw/zinc/14/43/71/343144371.db2.gz CTVLCGCTGVFHDM-UHFFFAOYSA-N -1 3 241.312 2.039 20 0 BEADHM CN(Cc1ccc(C(=O)[O-])s1)C1CCC1 ZINC000127597190 343178477 /nfs/dbraw/zinc/17/84/77/343178477.db2.gz SJIKFGHBBZEINX-UHFFFAOYSA-N -1 3 225.313 2.431 20 0 BEADHM C[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])cn1 ZINC000094762053 343157151 /nfs/dbraw/zinc/15/71/51/343157151.db2.gz ADYOPTGYCZFDGU-SNVBAGLBSA-N -1 3 234.299 2.154 20 0 BEADHM C[C@@H]1[C@@H](C)CCCN1Cc1ccc(C(=O)[O-])cn1 ZINC000094762666 343157165 /nfs/dbraw/zinc/15/71/65/343157165.db2.gz XJCWALCVOPDVMM-WDEREUQCSA-N -1 3 248.326 2.400 20 0 BEADHM CC[C@H](C)CN(C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762169 343157208 /nfs/dbraw/zinc/15/72/08/343157208.db2.gz PYACUGLSDDONSZ-JTQLQIEISA-N -1 3 236.315 2.258 20 0 BEADHM CC[C@@H](C)CN(C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762168 343157293 /nfs/dbraw/zinc/15/72/93/343157293.db2.gz PYACUGLSDDONSZ-SNVBAGLBSA-N -1 3 236.315 2.258 20 0 BEADHM CCC[C@H](C)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762222 343157305 /nfs/dbraw/zinc/15/73/05/343157305.db2.gz ASQOZRYTPUGJEX-JTQLQIEISA-N -1 3 236.315 2.400 20 0 BEADHM CC[C@@H]1CCCN(c2ccncc2C(=O)[O-])C1 ZINC000125967833 343168432 /nfs/dbraw/zinc/16/84/32/343168432.db2.gz WNCCVCOTKSMXTB-SNVBAGLBSA-N -1 3 234.299 2.406 20 0 BEADHM COc1cc(C(=O)NC(C)(C)C2CC2)ccc1[O-] ZINC000576930451 365724409 /nfs/dbraw/zinc/72/44/09/365724409.db2.gz LUZLFENAOJBXQG-UHFFFAOYSA-N -1 3 249.310 2.319 20 0 BEADHM O=C([O-])c1cnccc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000159902833 343202810 /nfs/dbraw/zinc/20/28/10/343202810.db2.gz GJDABPGDBXVVFQ-AOOOYVTPSA-N -1 3 232.283 2.016 20 0 BEADHM CCN(CCC(=O)[O-])Cc1ccc(F)cc1F ZINC000050885395 343221628 /nfs/dbraw/zinc/22/16/28/343221628.db2.gz LQSUDCYAEJSYCU-UHFFFAOYSA-N -1 3 243.253 2.261 20 0 BEADHM CC(C)CN(C)Cc1cc(C(=O)[O-])co1 ZINC000051330340 343255952 /nfs/dbraw/zinc/25/59/52/343255952.db2.gz BQRYMRQIXHTOQT-UHFFFAOYSA-N -1 3 211.261 2.066 20 0 BEADHM CC[C@@H](C)CN(C)Cc1cc(C(=O)[O-])co1 ZINC000051330356 343256019 /nfs/dbraw/zinc/25/60/19/343256019.db2.gz GXYLNAQHJQDEIQ-SECBINFHSA-N -1 3 225.288 2.456 20 0 BEADHM CCCN(CC)Cc1cc(C(=O)[O-])co1 ZINC000051330330 343256286 /nfs/dbraw/zinc/25/62/86/343256286.db2.gz NKXYWSJUTDAZHJ-UHFFFAOYSA-N -1 3 211.261 2.210 20 0 BEADHM O=C(NCCCC1CCC1)c1ccc(O)cc1[O-] ZINC000618615139 343329247 /nfs/dbraw/zinc/32/92/47/343329247.db2.gz XFXWXMSUTVFELI-UHFFFAOYSA-N -1 3 249.310 2.408 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCC2CCC2)c1 ZINC000034653116 136322301 /nfs/dbraw/zinc/32/23/01/136322301.db2.gz BOKMIGAYXOMSKH-UHFFFAOYSA-N -1 3 219.284 2.231 20 0 BEADHM CC[C@H]1[C@H](C)CCN1C(=O)c1csc(=O)[n-]1 ZINC000335700954 136333946 /nfs/dbraw/zinc/33/39/46/136333946.db2.gz UUCVZJADGMDRCC-APPZFPTMSA-N -1 3 240.328 2.109 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)C(F)(F)F)n1 ZINC000335712431 136337780 /nfs/dbraw/zinc/33/77/80/136337780.db2.gz JNEZYKOLETUOTA-ZCFIWIBFSA-N -1 3 248.204 2.233 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@H](C)C(F)(F)F)n1 ZINC000335712430 136337921 /nfs/dbraw/zinc/33/79/21/136337921.db2.gz JNEZYKOLETUOTA-LURJTMIESA-N -1 3 248.204 2.233 20 0 BEADHM CCCCOCC[S@](=O)c1cccc([O-])c1 ZINC000350504360 136361673 /nfs/dbraw/zinc/36/16/73/136361673.db2.gz BUFYGGUXHSPSFZ-INIZCTEOSA-N -1 3 242.340 2.317 20 0 BEADHM Cc1ccc(NC(=O)COC(C)C)c([O-])c1 ZINC000049087861 343592898 /nfs/dbraw/zinc/59/28/98/343592898.db2.gz UIBCKGKJIKVKAM-UHFFFAOYSA-N -1 3 223.272 2.064 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C)(C)C2)n1 ZINC000192606082 365779997 /nfs/dbraw/zinc/77/99/97/365779997.db2.gz ZRBPUNMIMMAXOM-JTQLQIEISA-N -1 3 235.331 2.284 20 0 BEADHM CC1(C)C[C@@]1(C)NC(=O)c1cccc([O-])c1 ZINC000620085646 343648353 /nfs/dbraw/zinc/64/83/53/343648353.db2.gz UNAWHTOIDNJDMC-CYBMUJFWSA-N -1 3 219.284 2.311 20 0 BEADHM CN(CCCF)Cc1ccc(C(=O)[O-])cc1 ZINC000088026063 343694239 /nfs/dbraw/zinc/69/42/39/343694239.db2.gz HVRCULFZJLVASS-UHFFFAOYSA-N -1 3 225.263 2.176 20 0 BEADHM O=C([O-])[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000003750180 343771292 /nfs/dbraw/zinc/77/12/92/343771292.db2.gz KYXLVBPAMNHJBI-SNVBAGLBSA-N -1 3 225.313 2.045 20 0 BEADHM Cc1cccc([O-])c1C(=O)N(C)CC1CC1 ZINC000624395767 343752234 /nfs/dbraw/zinc/75/22/34/343752234.db2.gz OIPRCGHNJLZSNL-UHFFFAOYSA-N -1 3 219.284 2.183 20 0 BEADHM CC1CN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000335874180 344037262 /nfs/dbraw/zinc/03/72/62/344037262.db2.gz LYBPJZNLHACPRV-UHFFFAOYSA-N -1 3 245.322 2.363 20 0 BEADHM CCc1ccc(C(=O)N2CC[C@H]2C)c([O-])c1 ZINC000641241203 362300760 /nfs/dbraw/zinc/30/07/60/362300760.db2.gz LNRSRXRSICHWFV-SECBINFHSA-N -1 3 219.284 2.189 20 0 BEADHM CC1(C(=O)Nc2ccccc2[O-])CCOCC1 ZINC000588696618 344173783 /nfs/dbraw/zinc/17/37/83/344173783.db2.gz PPOCQLKXHJSJNV-UHFFFAOYSA-N -1 3 235.283 2.147 20 0 BEADHM C/C=C\CNC(=O)c1cc(C)ccc1[O-] ZINC000385012003 344294423 /nfs/dbraw/zinc/29/44/23/344294423.db2.gz NLXCWNVNGUTAAZ-ARJAWSKDSA-N -1 3 205.257 2.007 20 0 BEADHM COc1ccc([O-])c(C(=O)NC2CC(C)(C)C2)c1 ZINC000395527791 344400976 /nfs/dbraw/zinc/40/09/76/344400976.db2.gz QVMRPQHJAXGQDJ-UHFFFAOYSA-N -1 3 249.310 2.319 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000625912868 344560625 /nfs/dbraw/zinc/56/06/25/344560625.db2.gz LDSGETYMWFASFV-GHMZBOCLSA-N -1 3 233.311 2.429 20 0 BEADHM CC1(c2nc(-c3cc(=O)[n-]cn3)no2)CCCC1 ZINC000351376199 344750925 /nfs/dbraw/zinc/75/09/25/344750925.db2.gz SQLYAGNYLPSULD-UHFFFAOYSA-N -1 3 246.270 2.064 20 0 BEADHM C[C@@H]1CCCC[C@H]1SCCc1nnn[n-]1 ZINC000603341481 349919435 /nfs/dbraw/zinc/91/94/35/349919435.db2.gz DJJGCUCLDWUYPZ-RKDXNWHRSA-N -1 3 226.349 2.054 20 0 BEADHM C[C@@H]1CCCC[C@H]1SCCc1nn[n-]n1 ZINC000603341481 349919436 /nfs/dbraw/zinc/91/94/36/349919436.db2.gz DJJGCUCLDWUYPZ-RKDXNWHRSA-N -1 3 226.349 2.054 20 0 BEADHM C[C@H]1CCCC[C@@H]1CSCCc1nnn[n-]1 ZINC000603342260 349919713 /nfs/dbraw/zinc/91/97/13/349919713.db2.gz WSRJVGWDANNIAP-VHSXEESVSA-N -1 3 240.376 2.302 20 0 BEADHM C[C@H]1CCCC[C@@H]1CSCCc1nn[n-]n1 ZINC000603342260 349919716 /nfs/dbraw/zinc/91/97/16/349919716.db2.gz WSRJVGWDANNIAP-VHSXEESVSA-N -1 3 240.376 2.302 20 0 BEADHM Cc1noc(C)c1[N-]C(=O)c1ccncc1F ZINC000078097818 344833295 /nfs/dbraw/zinc/83/32/95/344833295.db2.gz SDMXJVOAHGWVJX-UHFFFAOYSA-N -1 3 235.218 2.078 20 0 BEADHM CC(C)(F)CNCc1cccc(C(=O)[O-])c1 ZINC000635314523 345304515 /nfs/dbraw/zinc/30/45/15/345304515.db2.gz DXKBRWVLPDQPBT-UHFFFAOYSA-N -1 3 225.263 2.223 20 0 BEADHM Cc1cccc([O-])c1NC(=O)CCC(C)(C)O ZINC000562370886 345366691 /nfs/dbraw/zinc/36/66/91/345366691.db2.gz GSZGLTNOMHMTKP-UHFFFAOYSA-N -1 3 237.299 2.190 20 0 BEADHM C[C@@H]1CCC[C@@H](CSCCc2nnn[n-]2)C1 ZINC000603337233 349927953 /nfs/dbraw/zinc/92/79/53/349927953.db2.gz CWCHKCNMMWFIJF-NXEZZACHSA-N -1 3 240.376 2.302 20 0 BEADHM C[C@@H]1CCC[C@@H](CSCCc2nn[n-]n2)C1 ZINC000603337233 349927957 /nfs/dbraw/zinc/92/79/57/349927957.db2.gz CWCHKCNMMWFIJF-NXEZZACHSA-N -1 3 240.376 2.302 20 0 BEADHM C(Cc1nnn[n-]1)SCC1CCCCCC1 ZINC000603339606 349929668 /nfs/dbraw/zinc/92/96/68/349929668.db2.gz PYCFHEYLKBFRPE-UHFFFAOYSA-N -1 3 240.376 2.446 20 0 BEADHM C(Cc1nn[n-]n1)SCC1CCCCCC1 ZINC000603339606 349929672 /nfs/dbraw/zinc/92/96/72/349929672.db2.gz PYCFHEYLKBFRPE-UHFFFAOYSA-N -1 3 240.376 2.446 20 0 BEADHM CCc1ccc(CSCCc2nnn[n-]2)cc1 ZINC000603337937 349928588 /nfs/dbraw/zinc/92/85/88/349928588.db2.gz HIUQAVQGZDKUTE-UHFFFAOYSA-N -1 3 248.355 2.238 20 0 BEADHM CCc1ccc(CSCCc2nn[n-]n2)cc1 ZINC000603337937 349928589 /nfs/dbraw/zinc/92/85/89/349928589.db2.gz HIUQAVQGZDKUTE-UHFFFAOYSA-N -1 3 248.355 2.238 20 0 BEADHM CCc1onc(C)c1[N-]C(=O)c1cncc(F)c1 ZINC000089408931 345555253 /nfs/dbraw/zinc/55/52/53/345555253.db2.gz HHAVUWMGEFTQQQ-UHFFFAOYSA-N -1 3 249.245 2.332 20 0 BEADHM O=C([O-])C1CCN(C/C=C\c2ccccc2)CC1 ZINC000199219081 345727595 /nfs/dbraw/zinc/72/75/95/345727595.db2.gz OXZAVIQTKFKSAL-DAXSKMNVSA-N -1 3 245.322 2.496 20 0 BEADHM Cc1ccc(C(=O)NC(C)(C)C(F)F)c([O-])c1 ZINC000684340302 488295367 /nfs/dbraw/zinc/29/53/67/488295367.db2.gz GXFMBMFWVWZMKT-UHFFFAOYSA-N -1 3 243.253 2.474 20 0 BEADHM CC1(C)C[C@@H](NC(=O)c2ccccc2[O-])CCO1 ZINC000148577311 346037039 /nfs/dbraw/zinc/03/70/39/346037039.db2.gz JAJAPSPFJBSBES-JTQLQIEISA-N -1 3 249.310 2.080 20 0 BEADHM O=C(NCc1ncccc1[O-])C1CCC=CCC1 ZINC000635877979 346096479 /nfs/dbraw/zinc/09/64/79/346096479.db2.gz QLSHSJLWTPRDCS-UHFFFAOYSA-N -1 3 246.310 2.150 20 0 BEADHM Cc1cccc(C(=O)N(C)CC(C)C)c1[O-] ZINC000037023414 179004322 /nfs/dbraw/zinc/00/43/22/179004322.db2.gz VKRGWHOKCNSZRW-UHFFFAOYSA-N -1 3 221.300 2.429 20 0 BEADHM Cc1cccc(C(=O)N2C[C@H](C)[C@@H]2C)c1[O-] ZINC000294095925 179013651 /nfs/dbraw/zinc/01/36/51/179013651.db2.gz MLQRLNOAXUFZBU-UWVGGRQHSA-N -1 3 219.284 2.181 20 0 BEADHM C/C=C\CNCc1cccc(C(=O)[O-])c1 ZINC000384734540 537960149 /nfs/dbraw/zinc/96/01/49/537960149.db2.gz KMMMSSAELVYOAO-IHWYPQMZSA-N -1 3 205.257 2.051 20 0 BEADHM CC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186263774 346499237 /nfs/dbraw/zinc/49/92/37/346499237.db2.gz DWRYXUVYJKZREH-MRVPVSSYSA-N -1 3 205.257 2.252 20 0 BEADHM Cc1cccc(NC(=O)[N-]OCC2CC2)c1 ZINC000292230270 179135369 /nfs/dbraw/zinc/13/53/69/179135369.db2.gz AVHNTEIOQFFGQR-UHFFFAOYSA-N -1 3 220.272 2.458 20 0 BEADHM CC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000037915230 346711069 /nfs/dbraw/zinc/71/10/69/346711069.db2.gz HJBFSMCIRWEVRN-JTQLQIEISA-N -1 3 219.284 2.407 20 0 BEADHM CC[C@@H]1C[C@H]1CNC(=O)c1ccc(OC)cc1[O-] ZINC000387981503 347143862 /nfs/dbraw/zinc/14/38/62/347143862.db2.gz LSHZUPFIQRVZSS-ZJUUUORDSA-N -1 3 249.310 2.177 20 0 BEADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000192888648 365873456 /nfs/dbraw/zinc/87/34/56/365873456.db2.gz NPJDYISOPKIHHV-NXEZZACHSA-N -1 3 249.310 2.216 20 0 BEADHM CC(C)(F)CCNC(=O)c1cccc([O-])c1 ZINC000618402533 347248192 /nfs/dbraw/zinc/24/81/92/347248192.db2.gz YRYQQNSZLMMPFQ-UHFFFAOYSA-N -1 3 225.263 2.260 20 0 BEADHM CC[C@@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000019837193 347360595 /nfs/dbraw/zinc/36/05/95/347360595.db2.gz DEBDSOQREAYEPJ-SECBINFHSA-N -1 3 207.273 2.229 20 0 BEADHM O=C(c1ccccc1[O-])N1CCCCCC1 ZINC000011639248 347462665 /nfs/dbraw/zinc/46/26/65/347462665.db2.gz RZFWIQNCDMPVJG-UHFFFAOYSA-N -1 3 219.284 2.408 20 0 BEADHM CCc1ccc([O-])c(C(=O)N(C)CC)c1 ZINC000196890614 347526171 /nfs/dbraw/zinc/52/61/71/347526171.db2.gz JMPDMJOPFXZPBU-UHFFFAOYSA-N -1 3 207.273 2.047 20 0 BEADHM Cc1occc1CNCc1nc(C)ccc1[O-] ZINC000590882249 347578987 /nfs/dbraw/zinc/57/89/87/347578987.db2.gz YBHBSEKQFGWZNL-UHFFFAOYSA-N -1 3 232.283 2.287 20 0 BEADHM CCN(CCSC)C(=O)c1cccc([O-])c1 ZINC000592934887 347831797 /nfs/dbraw/zinc/83/17/97/347831797.db2.gz IUNAEVNLWLXEOZ-UHFFFAOYSA-N -1 3 239.340 2.217 20 0 BEADHM Cc1ccccc1NC(=O)[N-]OCC1CC1 ZINC000292765737 179301026 /nfs/dbraw/zinc/30/10/26/179301026.db2.gz SFPKBIWABCLJND-UHFFFAOYSA-N -1 3 220.272 2.458 20 0 BEADHM CC[C@H](C)CNC(=O)c1cccc([O-])c1 ZINC000054475103 348028746 /nfs/dbraw/zinc/02/87/46/348028746.db2.gz BIMLBKMFUCGYFE-VIFPVBQESA-N -1 3 207.273 2.168 20 0 BEADHM C[C@@H]1C[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000129415882 490140995 /nfs/dbraw/zinc/14/09/95/490140995.db2.gz KPKRKTKRXKYKNS-RQJHMYQMSA-N -1 3 209.220 2.126 20 0 BEADHM CCc1cc(=O)[n-]c(CN2C[C@H](C)[C@H](C)[C@H]2C)n1 ZINC000419375988 192129309 /nfs/dbraw/zinc/12/93/09/192129309.db2.gz SJMPVJYCBJYQSG-GARJFASQSA-N -1 3 249.358 2.221 20 0 BEADHM CCOC(=O)c1cc(-c2cc(C)ns2)n[n-]1 ZINC000596646569 348604555 /nfs/dbraw/zinc/60/45/55/348604555.db2.gz SUUNQKMLRKPJFI-UHFFFAOYSA-N -1 3 237.284 2.018 20 0 BEADHM CCOC(=O)c1cc(-c2cc(C)ns2)[n-]n1 ZINC000596646569 348604558 /nfs/dbraw/zinc/60/45/58/348604558.db2.gz SUUNQKMLRKPJFI-UHFFFAOYSA-N -1 3 237.284 2.018 20 0 BEADHM Cc1conc1[N-]C(=O)c1csnc1C ZINC000182276599 490191078 /nfs/dbraw/zinc/19/10/78/490191078.db2.gz LKSUGYWWKRWZOK-UHFFFAOYSA-N -1 3 223.257 2.000 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2CCCCN2C)c([O-])c1 ZINC000599297198 349149851 /nfs/dbraw/zinc/14/98/51/349149851.db2.gz SZFYNJOJIHRPMU-LBPRGKRZSA-N -1 3 248.326 2.123 20 0 BEADHM CS[C@H](C)CNC(=O)c1c(C)cccc1[O-] ZINC000599706141 349249591 /nfs/dbraw/zinc/24/95/91/349249591.db2.gz DMEDTZHHXCUDIG-SECBINFHSA-N -1 3 239.340 2.182 20 0 BEADHM COC(=O)c1cc(-c2nc(C3CCC3)no2)c[n-]1 ZINC000601967919 349404600 /nfs/dbraw/zinc/40/46/00/349404600.db2.gz JIJWBTYOFWPPAW-UHFFFAOYSA-N -1 3 247.254 2.119 20 0 BEADHM COc1cc(C)sc1C(=O)[N-]c1cnoc1 ZINC000603657345 350009486 /nfs/dbraw/zinc/00/94/86/350009486.db2.gz ZPBCCVZEJULZJW-UHFFFAOYSA-N -1 3 238.268 2.305 20 0 BEADHM CC(=O)[C@H](C)S[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000121730022 191072241 /nfs/dbraw/zinc/07/22/41/191072241.db2.gz BFPYKLTZZFWFBJ-DTWKUNHWSA-N -1 3 240.328 2.262 20 0 BEADHM CN(CCC1CC1)c1ccncc1C(=O)[O-] ZINC000309276731 350252547 /nfs/dbraw/zinc/25/25/47/350252547.db2.gz DWCKGCJZMCACRW-UHFFFAOYSA-N -1 3 220.272 2.016 20 0 BEADHM O=C(N[C@@]12C[C@@H]1CCC2)c1cccc([O-])c1 ZINC000617195654 350316548 /nfs/dbraw/zinc/31/65/48/350316548.db2.gz QBBDYKPUEVSKLM-GWCFXTLKSA-N -1 3 217.268 2.065 20 0 BEADHM COc1ccc(C(=O)N[C@]23C[C@H]2CCC3)c([O-])c1 ZINC000617201638 350335789 /nfs/dbraw/zinc/33/57/89/350335789.db2.gz FQDCFFSAFVXIHF-YMTOWFKASA-N -1 3 247.294 2.073 20 0 BEADHM CC1(C)CC[C@H]1Nc1ccncc1C(=O)[O-] ZINC000309411833 350372224 /nfs/dbraw/zinc/37/22/24/350372224.db2.gz IXKCSSVELNJBIS-SNVBAGLBSA-N -1 3 220.272 2.380 20 0 BEADHM Cc1ccc(F)c(S(=O)(=O)[N-]CC(C)C)c1 ZINC000032401951 350421460 /nfs/dbraw/zinc/42/14/60/350421460.db2.gz PDVRJFCMFYRHHG-UHFFFAOYSA-N -1 3 245.319 2.068 20 0 BEADHM CC[C@@H]1CCCC[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000337405588 350583623 /nfs/dbraw/zinc/58/36/23/350583623.db2.gz SHNSCDGNTOLXCK-KOLCDFICSA-N -1 3 245.330 2.107 20 0 BEADHM CC/C=C\CNC(=O)c1ccccc1[O-] ZINC000384938005 350651699 /nfs/dbraw/zinc/65/16/99/350651699.db2.gz DQMLJVKWNFUPBT-UTCJRWHESA-N -1 3 205.257 2.088 20 0 BEADHM C[C@H](c1ccco1)N(CCC(=O)[O-])C1CC1 ZINC000083405228 351263898 /nfs/dbraw/zinc/26/38/98/351263898.db2.gz DYOOKQTYVYURGQ-SECBINFHSA-N -1 3 223.272 2.280 20 0 BEADHM CC[C@@H](OC)C(=O)Nc1c(C)cccc1[O-] ZINC000272560875 351485870 /nfs/dbraw/zinc/48/58/70/351485870.db2.gz UGVBXEHIVFIZKT-SNVBAGLBSA-N -1 3 223.272 2.064 20 0 BEADHM COCC(C)(C)CC(=O)Nc1ccccc1[O-] ZINC000411199452 191169330 /nfs/dbraw/zinc/16/93/30/191169330.db2.gz KSJQFDUEOGAQQM-UHFFFAOYSA-N -1 3 237.299 2.393 20 0 BEADHM CCCN(C)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000411735398 191208390 /nfs/dbraw/zinc/20/83/90/191208390.db2.gz CLKNCYXHEOOSKQ-UHFFFAOYSA-N -1 3 235.283 2.077 20 0 BEADHM CC(C)[C@H](NCc1cc(F)ccc1F)C(=O)[O-] ZINC000043430535 352637524 /nfs/dbraw/zinc/63/75/24/352637524.db2.gz DHDXEIXSJMTJQC-NSHDSACASA-N -1 3 243.253 2.164 20 0 BEADHM CC(=O)[N-]OCc1csc(CCC(C)C)n1 ZINC000178193561 187818820 /nfs/dbraw/zinc/81/88/20/187818820.db2.gz UFMUIBIQQAOGPR-UHFFFAOYSA-N -1 3 242.344 2.299 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H]2C)c1 ZINC000334192617 352783536 /nfs/dbraw/zinc/78/35/36/352783536.db2.gz IDBAPZVQSNHHDD-VHSXEESVSA-N -1 3 233.311 2.435 20 0 BEADHM CC(C)(C)c1csc(C[N-]C(=O)C(F)F)n1 ZINC000279129572 187853132 /nfs/dbraw/zinc/85/31/32/187853132.db2.gz XZIUXYKYZWBXLW-UHFFFAOYSA-N -1 3 248.298 2.322 20 0 BEADHM Cc1nc([N-]C(=O)c2ocnc2C)cs1 ZINC000334257846 352869012 /nfs/dbraw/zinc/86/90/12/352869012.db2.gz OAULPWNFWOBWQT-UHFFFAOYSA-N -1 3 223.257 2.000 20 0 BEADHM Cc1co[n-]c1=NC(=O)c1oc(C(C)C)nc1C ZINC000334243684 352832315 /nfs/dbraw/zinc/83/23/15/352832315.db2.gz YRSYQXCCPUCYAQ-UHFFFAOYSA-N -1 3 249.270 2.077 20 0 BEADHM Cc1cnccc1C(=O)Nc1ccccc1[O-] ZINC000334245925 352836074 /nfs/dbraw/zinc/83/60/74/352836074.db2.gz UAXIIKWGVNNHST-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM C[C@H]1CC[C@H](N(C)C(=O)c2ccc(O)cc2[O-])C1 ZINC000334249879 352842815 /nfs/dbraw/zinc/84/28/15/352842815.db2.gz ZLULDAJWQXKVAE-UWVGGRQHSA-N -1 3 249.310 2.358 20 0 BEADHM C[C@H]1CC[C@@H](C(=O)Nc2ncccc2[O-])C1 ZINC000334283196 352923792 /nfs/dbraw/zinc/92/37/92/352923792.db2.gz UYDQSWQXBJNVGE-DTWKUNHWSA-N -1 3 220.272 2.162 20 0 BEADHM C[C@H]1CC[C@H](C(=O)Nc2ncccc2[O-])C1 ZINC000334283198 352924234 /nfs/dbraw/zinc/92/42/34/352924234.db2.gz UYDQSWQXBJNVGE-IUCAKERBSA-N -1 3 220.272 2.162 20 0 BEADHM C[C@H]1COC(C)(C)CN1C(=O)c1ccccc1[O-] ZINC000334361670 353011361 /nfs/dbraw/zinc/01/13/61/353011361.db2.gz BZYYGXVDGGBUOK-JTQLQIEISA-N -1 3 249.310 2.032 20 0 BEADHM O=C(CC1CCCC1)Nc1ccncc1[O-] ZINC000109891371 188060223 /nfs/dbraw/zinc/06/02/23/188060223.db2.gz SNSJJDHXJOYDFZ-UHFFFAOYSA-N -1 3 220.272 2.306 20 0 BEADHM CC(C)C[C@H](C)Cn1cc(Cl)c(=O)[n-]c1=O ZINC000281024825 188095977 /nfs/dbraw/zinc/09/59/77/188095977.db2.gz PVJBZBUXXXTHQO-QMMMGPOBSA-N -1 3 244.722 2.285 20 0 BEADHM CCN1CCCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000104138105 188150279 /nfs/dbraw/zinc/15/02/79/188150279.db2.gz KFDVTMVRDOYRFX-GFCCVEGCSA-N -1 3 248.326 2.205 20 0 BEADHM CCCCCNC(=O)c1cccc([O-])c1 ZINC000019837989 168713626 /nfs/dbraw/zinc/71/36/26/168713626.db2.gz DJWZQOBTKCCFAU-UHFFFAOYSA-N -1 3 207.273 2.312 20 0 BEADHM CC(C)CO[N-]C(=O)[C@@H]1CC=CC[C@H]1C ZINC000284996346 188206803 /nfs/dbraw/zinc/20/68/03/188206803.db2.gz QTKBUUAVJVLEGY-GHMZBOCLSA-N -1 3 211.305 2.293 20 0 BEADHM CC[C@@H](C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000135426776 538115184 /nfs/dbraw/zinc/11/51/84/538115184.db2.gz UIFBVCOPIQJCIE-MRVPVSSYSA-N -1 3 223.272 2.385 20 0 BEADHM COc1ccc(NC(=O)C2=CCCC2)c([O-])c1 ZINC000135457694 538115223 /nfs/dbraw/zinc/11/52/23/538115223.db2.gz OSVIGVHMKQTFRE-UHFFFAOYSA-N -1 3 233.267 2.450 20 0 BEADHM C[C@H]1CCC[C@H](NC(=O)c2csc(=O)[n-]2)C1 ZINC000332940424 353460383 /nfs/dbraw/zinc/46/03/83/353460383.db2.gz RFYCYXLYHOJAQG-YUMQZZPRSA-N -1 3 240.328 2.157 20 0 BEADHM CC[C@H](C)[C@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000194172708 353626553 /nfs/dbraw/zinc/62/65/53/353626553.db2.gz KTUJITYCKBRKLA-IUCAKERBSA-N -1 3 246.314 2.122 20 0 BEADHM CC[C@H]1CCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000037915242 358480033 /nfs/dbraw/zinc/48/00/33/358480033.db2.gz AQMGUWFBFHVZNA-JTQLQIEISA-N -1 3 249.310 2.415 20 0 BEADHM O=C([N-]OCC(F)F)[C@@H]1C[C@H]1c1ccsc1 ZINC000529033471 324235923 /nfs/dbraw/zinc/23/59/23/324235923.db2.gz ZHKWNOTVNRVBHJ-JGVFFNPUSA-N -1 3 247.266 2.165 20 0 BEADHM O=C([O-])C1(NCc2cc(Cl)ccc2F)CC1 ZINC000231110675 363338017 /nfs/dbraw/zinc/33/80/17/363338017.db2.gz QVLSFEOIMATSAA-UHFFFAOYSA-N -1 3 243.665 2.186 20 0 BEADHM CC(=O)c1ccc(C(=O)N[C@@H]2CC2(C)C)cc1[O-] ZINC000334583840 354205370 /nfs/dbraw/zinc/20/53/70/354205370.db2.gz SAKIYKYUNNISOH-GFCCVEGCSA-N -1 3 247.294 2.123 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1C[C@@]12CCOC2 ZINC000334803677 354559723 /nfs/dbraw/zinc/55/97/23/354559723.db2.gz JJYPXBQYWAUAHC-QMTHXVAHSA-N -1 3 247.294 2.066 20 0 BEADHM Cc1nocc1NC(=O)c1ccc(C)cc1[O-] ZINC001640531967 1172175645 /nfs/dbraw/zinc/17/56/45/1172175645.db2.gz JVMKJDNGLLLZPN-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CCCC[C@@H]2C)c1C ZINC000335096432 354636183 /nfs/dbraw/zinc/63/61/83/354636183.db2.gz OZIHYZFMOHCTGI-GXSJLCMTSA-N -1 3 249.358 2.467 20 0 BEADHM CCC1CN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000335080681 354643375 /nfs/dbraw/zinc/64/33/75/354643375.db2.gz WZOOUWVSPLEILH-UHFFFAOYSA-N -1 3 219.284 2.183 20 0 BEADHM C[C@H]1CCC[C@H](CC(=O)Nc2ccncc2[O-])C1 ZINC000345382937 354646171 /nfs/dbraw/zinc/64/61/71/354646171.db2.gz UEAHWIZLCJZMEN-QWRGUYRKSA-N -1 3 248.326 2.364 20 0 BEADHM CSC1(C(=O)Nc2cccc([O-])c2F)CC1 ZINC000190916257 358488438 /nfs/dbraw/zinc/48/84/38/358488438.db2.gz NFBJWKMMNHAAQN-UHFFFAOYSA-N -1 3 241.287 2.365 20 0 BEADHM Cc1noc(CCCc2ccc([O-])c(F)c2)n1 ZINC000345525809 354673098 /nfs/dbraw/zinc/67/30/98/354673098.db2.gz CYRGFDGBOMQROH-UHFFFAOYSA-N -1 3 236.246 2.398 20 0 BEADHM Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2CS3)c1[O-] ZINC000335130422 354777282 /nfs/dbraw/zinc/77/72/82/354777282.db2.gz OTSNJWGNBLCXEK-UWVGGRQHSA-N -1 3 249.335 2.031 20 0 BEADHM Cc1cc(C(=O)Nc2ccc(C)cc2[O-])no1 ZINC000040413252 358490517 /nfs/dbraw/zinc/49/05/17/358490517.db2.gz VSGBJDPDGFTKFT-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM Cc1ccc([O-])c(NC(=O)c2ccccc2F)n1 ZINC000335147501 354860970 /nfs/dbraw/zinc/86/09/70/354860970.db2.gz CBWOVKYWUQJADA-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM C[C@@]1(C(=O)Nc2ccccc2[O-])C[C@H]1F ZINC000335178363 354949251 /nfs/dbraw/zinc/94/92/51/354949251.db2.gz USUKCWOUSDJHAE-MWLCHTKSSA-N -1 3 209.220 2.079 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)C2)o1 ZINC000335223414 355064241 /nfs/dbraw/zinc/06/42/41/355064241.db2.gz AVAUPSPVJRWHTA-SCZZXKLOSA-N -1 3 243.328 2.055 20 0 BEADHM Cc1ccc([C@H](C)NCc2cnc(C)[n-]c2=O)o1 ZINC000346784996 355115701 /nfs/dbraw/zinc/11/57/01/355115701.db2.gz BKYWKIAHLOZCDY-VIFPVBQESA-N -1 3 247.298 2.243 20 0 BEADHM CC(=O)c1ccc(C(=O)N2C[C@@H](C)[C@@H]2C)cc1[O-] ZINC000335187327 355086508 /nfs/dbraw/zinc/08/65/08/355086508.db2.gz ATSZOKCJLCHCNR-BDAKNGLRSA-N -1 3 247.294 2.075 20 0 BEADHM CCCC[C@@H](C)N(C)C(=O)c1csc(=O)[n-]1 ZINC000428143696 358494966 /nfs/dbraw/zinc/49/49/66/358494966.db2.gz FCSKIHIUYNALEL-MRVPVSSYSA-N -1 3 242.344 2.499 20 0 BEADHM C[C@@H]1CCCN(C(=O)c2csc(=O)[n-]2)[C@@H]1C ZINC000335786886 355437033 /nfs/dbraw/zinc/43/70/33/355437033.db2.gz JXPWQNZJMVNJJI-HTQZYQBOSA-N -1 3 240.328 2.109 20 0 BEADHM CC1CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000335795596 355451690 /nfs/dbraw/zinc/45/16/90/355451690.db2.gz FJTCBUKTVLZDLQ-UHFFFAOYSA-N -1 3 225.675 2.138 20 0 BEADHM Cc1cc[nH]c1C(=O)Nc1cc(F)ccc1[O-] ZINC000335852166 355595505 /nfs/dbraw/zinc/59/55/05/355595505.db2.gz DLRAIMVCCBBKOA-UHFFFAOYSA-N -1 3 234.230 2.420 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C)C2)c1 ZINC000040725134 358498856 /nfs/dbraw/zinc/49/88/56/358498856.db2.gz WOTDDOHRKWCFGI-SNVBAGLBSA-N -1 3 219.284 2.183 20 0 BEADHM CN(Cc1c(F)ccc([O-])c1F)CC(F)F ZINC000350721799 355748898 /nfs/dbraw/zinc/74/88/98/355748898.db2.gz XCIYTALQQZGVOI-UHFFFAOYSA-N -1 3 237.196 2.367 20 0 BEADHM CCc1ccc([O-])c(C(=O)NCCC2CC2)c1 ZINC000608474798 355768422 /nfs/dbraw/zinc/76/84/22/355768422.db2.gz QKRMCDUVENAMTB-UHFFFAOYSA-N -1 3 233.311 2.485 20 0 BEADHM COCCCCC[S@](=O)c1cccc([O-])c1 ZINC000350560830 355727171 /nfs/dbraw/zinc/72/71/71/355727171.db2.gz VYGGNOVFVVICLG-INIZCTEOSA-N -1 3 242.340 2.317 20 0 BEADHM C[C@@H]1[C@H](C(=O)Nc2cccc([O-])c2F)C1(F)F ZINC000336027457 134057801 /nfs/dbraw/zinc/05/78/01/134057801.db2.gz OLPZTOWYFDMSTG-SVGQVSJJSA-N -1 3 245.200 2.371 20 0 BEADHM Cc1nnc([N-]C(=O)c2ccoc2Cl)s1 ZINC000192398082 356198455 /nfs/dbraw/zinc/19/84/55/356198455.db2.gz DBKKIZXFIBUOAN-UHFFFAOYSA-N -1 3 243.675 2.345 20 0 BEADHM CCO[C@@H](CC)C(=O)Nc1cccc([O-])c1F ZINC000128590695 324857521 /nfs/dbraw/zinc/85/75/21/324857521.db2.gz KHFGOHUKQJVLKY-JTQLQIEISA-N -1 3 241.262 2.285 20 0 BEADHM COc1ccccc1/C=C\C(=O)[N-]OC(C)C ZINC000379177495 356429048 /nfs/dbraw/zinc/42/90/48/356429048.db2.gz RAEQOGMCMGJTDN-HJWRWDBZSA-N -1 3 235.283 2.165 20 0 BEADHM CC[C@@H](C)C[N-]S(=O)(=O)c1cccs1 ZINC000420707530 192258168 /nfs/dbraw/zinc/25/81/68/192258168.db2.gz NSHNRMKBWOLHKM-MRVPVSSYSA-N -1 3 233.358 2.073 20 0 BEADHM C[C@@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000129289940 324934545 /nfs/dbraw/zinc/93/45/45/324934545.db2.gz ZRDIPVKBUZTZKG-NXEZZACHSA-N -1 3 219.284 2.311 20 0 BEADHM CCSCc1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000272873525 366293120 /nfs/dbraw/zinc/29/31/20/366293120.db2.gz VZSBXHWADHMYHY-UHFFFAOYSA-N -1 3 236.296 2.294 20 0 BEADHM [O-]c1ccc(-c2noc(COC(F)F)n2)cc1 ZINC000350566224 366297809 /nfs/dbraw/zinc/29/78/09/366297809.db2.gz LXHDICDVQFRIPP-UHFFFAOYSA-N -1 3 242.181 2.181 20 0 BEADHM CC[C@H](NC(=O)c1cccc(OC)c1[O-])C1CC1 ZINC000323862345 356660737 /nfs/dbraw/zinc/66/07/37/356660737.db2.gz PEBSXFSHCMDOTF-NSHDSACASA-N -1 3 249.310 2.319 20 0 BEADHM CC[C@@H](O)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000450410520 202157568 /nfs/dbraw/zinc/15/75/68/202157568.db2.gz VXSIIOCCMOUCST-MRVPVSSYSA-N -1 3 243.690 2.145 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccnnc1 ZINC000154853958 538682008 /nfs/dbraw/zinc/68/20/08/538682008.db2.gz IHVKUXHIWYBADH-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM CCCc1coc([N-]C(=O)c2cc(C)no2)n1 ZINC000582368314 357109927 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/nfs/dbraw/zinc/54/82/99/358548299.db2.gz DGWNXIKOHYDGEB-NSHDSACASA-N -1 3 219.284 2.229 20 0 BEADHM CN(Cc1cscn1)C(=O)c1ccccc1[O-] ZINC000042462468 358524471 /nfs/dbraw/zinc/52/44/71/358524471.db2.gz YIDJIYUEXLYSPT-UHFFFAOYSA-N -1 3 248.307 2.121 20 0 BEADHM Cc1ccc(C(=O)NC2(CF)CCC2)c([O-])c1 ZINC000578326293 366514948 /nfs/dbraw/zinc/51/49/48/366514948.db2.gz ORQVHAOGIJVKOE-UHFFFAOYSA-N -1 3 237.274 2.323 20 0 BEADHM CC[C@@H]1CCC[C@H]1NC(=O)Cc1cncc([O-])c1 ZINC000578337956 366527759 /nfs/dbraw/zinc/52/77/59/366527759.db2.gz XMZJBNIWYTXVBW-DGCLKSJQSA-N -1 3 248.326 2.025 20 0 BEADHM CC(C)(F)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000351462329 366529520 /nfs/dbraw/zinc/52/95/20/366529520.db2.gz NSQPBPDIKAHBPT-UHFFFAOYSA-N -1 3 247.233 2.213 20 0 BEADHM Cc1ccc(NC(=O)[C@H]2CCSC2)c([O-])c1 ZINC000069985326 359037175 /nfs/dbraw/zinc/03/71/75/359037175.db2.gz ZXQITNGGFDQXER-VIFPVBQESA-N -1 3 237.324 2.392 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCC[C@H](C)[C@H]2C)n1 ZINC000246432295 359084329 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CMADNTCBEQZDPW-UHFFFAOYSA-N -1 3 236.662 2.019 20 0 BEADHM CCCC[C@H](O)CCC(=O)[N-]OC[C@@H](C)CC ZINC001641613017 1172273234 /nfs/dbraw/zinc/27/32/34/1172273234.db2.gz QSAZHJVBKGFQHE-RYUDHWBXSA-N -1 3 245.363 2.412 20 0 BEADHM CCCC[C@@H](O)CCC(=O)[N-]OC[C@H](C)CC ZINC001641613018 1172274249 /nfs/dbraw/zinc/27/42/49/1172274249.db2.gz QSAZHJVBKGFQHE-VXGBXAGGSA-N -1 3 245.363 2.412 20 0 BEADHM C[C@@]1(C(=O)Nc2ccc([O-])cc2F)CCCO1 ZINC000094789730 360317331 /nfs/dbraw/zinc/31/73/31/360317331.db2.gz OWYHGUTYFMISBM-LBPRGKRZSA-N -1 3 239.246 2.039 20 0 BEADHM CN(CCCC(=O)[O-])Cc1cc(F)cc(F)c1 ZINC000097903981 360382429 /nfs/dbraw/zinc/38/24/29/360382429.db2.gz MKKNIZZYOXAIIY-UHFFFAOYSA-N -1 3 243.253 2.261 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCC2(C)C)n1 ZINC000614164277 363727467 /nfs/dbraw/zinc/72/74/67/363727467.db2.gz LWWWLPXSZJZBLT-SECBINFHSA-N -1 3 234.299 2.470 20 0 BEADHM O=C(N[C@H]1CCCC12CC2)c1cccc([O-])c1 ZINC000633771395 360456050 /nfs/dbraw/zinc/45/60/50/360456050.db2.gz UQFAWAWMURINNK-LBPRGKRZSA-N -1 3 231.295 2.455 20 0 BEADHM CCC(F)(F)CNC(=O)c1cc(C)ccc1[O-] ZINC000628845868 360701338 /nfs/dbraw/zinc/70/13/38/360701338.db2.gz MTIVRGQJGHSVMP-UHFFFAOYSA-N -1 3 243.253 2.476 20 0 BEADHM C/C=C\CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000629034253 360820645 /nfs/dbraw/zinc/82/06/45/360820645.db2.gz IFFSWWBTPFVGPT-PLNGDYQASA-N -1 3 219.284 2.315 20 0 BEADHM CCCn1c(=O)[n-]nc1SC[C@H]1C[C@H]1C ZINC000629096737 360876536 /nfs/dbraw/zinc/87/65/36/360876536.db2.gz TVPAVEYFTVFKGD-HTQZYQBOSA-N -1 3 227.333 2.142 20 0 BEADHM Cn1c(=O)[n-]nc1SCC1CC(C)(C)C1 ZINC000629357071 361000311 /nfs/dbraw/zinc/00/03/11/361000311.db2.gz SPUUPKURMCHTBT-UHFFFAOYSA-N -1 3 227.333 2.049 20 0 BEADHM Cc1ccc(C(=O)N2CC(C)(C)C2)c([O-])c1 ZINC000309716301 491154861 /nfs/dbraw/zinc/15/48/61/491154861.db2.gz LXWZBKJCVZBWCQ-UHFFFAOYSA-N -1 3 219.284 2.183 20 0 BEADHM CC(C)CCC(=O)Nc1cccc2n[n-]nc21 ZINC000640379553 361188792 /nfs/dbraw/zinc/18/87/92/361188792.db2.gz GZVWBFKMUZFEBG-UHFFFAOYSA-N -1 3 232.287 2.333 20 0 BEADHM O=C(C[C@H]1C=CCC1)Nc1cccc2n[n-]nc21 ZINC000640378980 361190932 /nfs/dbraw/zinc/19/09/32/361190932.db2.gz ARSUIAKQVBOPME-VIFPVBQESA-N -1 3 242.282 2.253 20 0 BEADHM CC1(C)CC[C@@H]1C(=O)Nc1cccc2n[n-]nc21 ZINC000640379112 361191289 /nfs/dbraw/zinc/19/12/89/361191289.db2.gz JPAMGMBITWKUSO-MRVPVSSYSA-N -1 3 244.298 2.333 20 0 BEADHM C[C@@H](C(=O)Nc1cccc2n[n-]nc21)C1CCC1 ZINC000640378719 361191414 /nfs/dbraw/zinc/19/14/14/361191414.db2.gz FVEJKWOGZICJGJ-MRVPVSSYSA-N -1 3 244.298 2.333 20 0 BEADHM CC1(CC(=O)Nc2cccc3n[n-]nc32)CC1 ZINC000640379370 361192070 /nfs/dbraw/zinc/19/20/70/361192070.db2.gz GENUPWFTLVEDCH-UHFFFAOYSA-N -1 3 230.271 2.087 20 0 BEADHM CO[C@@H]1CC[C@H](C(=O)Nc2c(C)cccc2[O-])C1 ZINC000613205600 361201859 /nfs/dbraw/zinc/20/18/59/361201859.db2.gz FIHXDOIZGPPDQJ-WDEREUQCSA-N -1 3 249.310 2.454 20 0 BEADHM CCc1cc(C(=O)NCCCCF)ccc1[O-] ZINC000428481065 201025258 /nfs/dbraw/zinc/02/52/58/201025258.db2.gz DDDBFTBCRSEYRK-UHFFFAOYSA-N -1 3 239.290 2.434 20 0 BEADHM CCCCCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000448557402 201262857 /nfs/dbraw/zinc/26/28/57/201262857.db2.gz QZJKKSFNBOGPQB-UHFFFAOYSA-N -1 3 239.290 2.380 20 0 BEADHM O=[S@@](CCC(F)(F)F)c1ccc([O-])cc1 ZINC000435438386 201272141 /nfs/dbraw/zinc/27/21/41/201272141.db2.gz PKKPLDBKLZWVNE-HNNXBMFYSA-N -1 3 238.230 2.452 20 0 BEADHM Cc1ccc(C(=O)NCC[C@H](C)F)c([O-])c1 ZINC000436544290 201332285 /nfs/dbraw/zinc/33/22/85/201332285.db2.gz KVVHKAKFGFMQDZ-VIFPVBQESA-N -1 3 225.263 2.179 20 0 BEADHM CCc1ccc(C(=O)NCC[C@@H](C)F)c([O-])c1 ZINC000436545702 201330819 /nfs/dbraw/zinc/33/08/19/201330819.db2.gz OEFARLSZOFSARM-SECBINFHSA-N -1 3 239.290 2.433 20 0 BEADHM Cc1ccc(C(=O)NCCCCF)c([O-])c1C ZINC000436642168 201334325 /nfs/dbraw/zinc/33/43/25/201334325.db2.gz RAPWBBFGWOGFBC-UHFFFAOYSA-N -1 3 239.290 2.489 20 0 BEADHM CC[C@H](C)N(C)C(=O)c1ccc([O-])c(OC)c1 ZINC000436640877 201334919 /nfs/dbraw/zinc/33/49/19/201334919.db2.gz ZNSBGVUMEQFCKT-VIFPVBQESA-N -1 3 237.299 2.271 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@H](C)CC)c1 ZINC000436753610 201336020 /nfs/dbraw/zinc/33/60/20/201336020.db2.gz FAEOEWQLWQAMGK-SECBINFHSA-N -1 3 221.300 2.483 20 0 BEADHM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2F)c([O-])c1 ZINC000436771987 201337366 /nfs/dbraw/zinc/33/73/66/201337366.db2.gz CMSDFFGXNDBYGE-WDEREUQCSA-N -1 3 237.274 2.321 20 0 BEADHM COCCC1(NC(=O)c2ccccc2[O-])CCC1 ZINC000436902097 201340130 /nfs/dbraw/zinc/34/01/30/201340130.db2.gz IWOQLEJZEOMSMS-UHFFFAOYSA-N -1 3 249.310 2.081 20 0 BEADHM Cc1ccc(C(=O)N[C@@H](C)c2ccon2)c([O-])c1 ZINC000436971710 201340238 /nfs/dbraw/zinc/34/02/38/201340238.db2.gz KOXRTFINUOWZQM-VIFPVBQESA-N -1 3 246.266 2.180 20 0 BEADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])[C@H](C)[C@H](C)O1 ZINC000436887015 201342018 /nfs/dbraw/zinc/34/20/18/201342018.db2.gz IKIFRTPYMFTHRI-MXWKQRLJSA-N -1 3 249.310 2.030 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2CC)c1 ZINC000438105562 201389480 /nfs/dbraw/zinc/38/94/80/201389480.db2.gz OLAGGKJHXFBHRR-ZYHUDNBSSA-N -1 3 233.311 2.483 20 0 BEADHM CC[C@@H](C)N(C)C(=O)c1cccc(OC)c1[O-] ZINC000037023540 363854611 /nfs/dbraw/zinc/85/46/11/363854611.db2.gz ZTFBJJGFHOIAIL-SECBINFHSA-N -1 3 237.299 2.271 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2C3CCC2CC3)c1 ZINC000398896776 363987003 /nfs/dbraw/zinc/98/70/03/363987003.db2.gz AIJMEDZOZFLYMM-UHFFFAOYSA-N -1 3 231.295 2.468 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1CC2(CC2)C1 ZINC000622122922 370723857 /nfs/dbraw/zinc/72/38/57/370723857.db2.gz WEHPUBMJQRLTRV-UHFFFAOYSA-N -1 3 247.342 2.392 20 0 BEADHM O=C(NCC[C@@H]1CC1(F)F)c1ccccc1[O-] ZINC000622205384 370765064 /nfs/dbraw/zinc/76/50/64/370765064.db2.gz KXUJPYUYMMBKSF-MRVPVSSYSA-N -1 3 241.237 2.167 20 0 BEADHM Cc1nnsc1C(=O)Nc1c(C)cccc1[O-] ZINC000191513939 219932549 /nfs/dbraw/zinc/93/25/49/219932549.db2.gz MFUXBQJLDUUUCD-UHFFFAOYSA-N -1 3 249.295 2.113 20 0 BEADHM CCN(C(=O)Cc1cncc([O-])c1)C1CCCC1 ZINC000579494684 366833570 /nfs/dbraw/zinc/83/35/70/366833570.db2.gz WQUOTPCMTNRPMO-UHFFFAOYSA-N -1 3 248.326 2.121 20 0 BEADHM CCOC(C)(C)C(=O)Nc1ccccc1[O-] ZINC000630796977 364562914 /nfs/dbraw/zinc/56/29/14/364562914.db2.gz RLNUUHBMHHENJL-UHFFFAOYSA-N -1 3 223.272 2.146 20 0 BEADHM O=C([O-])C1(CN2CCc3cc(F)ccc3C2)CC1 ZINC000574213462 365012454 /nfs/dbraw/zinc/01/24/54/365012454.db2.gz UGWIBBCGTYSELZ-UHFFFAOYSA-N -1 3 249.285 2.049 20 0 BEADHM CC(=O)c1cccc(CN(C)[C@@H](C)CC(=O)[O-])c1 ZINC000575430530 365320724 /nfs/dbraw/zinc/32/07/24/365320724.db2.gz BQASCLRCFGTBRM-JTQLQIEISA-N -1 3 249.310 2.184 20 0 BEADHM Cc1ncccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174892808 365518014 /nfs/dbraw/zinc/51/80/14/365518014.db2.gz WIZUGNBZOUWVMF-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])n1C ZINC000174896947 365518376 /nfs/dbraw/zinc/51/83/76/365518376.db2.gz LFRJQWMINLSHEU-UHFFFAOYSA-N -1 3 248.257 2.431 20 0 BEADHM C[C@@H]1SCCN(Cc2ncccc2[O-])[C@H]1C ZINC000579764342 367002638 /nfs/dbraw/zinc/00/26/38/367002638.db2.gz UWBISNDXGDUXBW-UWVGGRQHSA-N -1 3 238.356 2.113 20 0 BEADHM O=C(NCc1ccsc1)c1ccc(O)cc1[O-] ZINC000193159796 367154756 /nfs/dbraw/zinc/15/47/56/367154756.db2.gz GIQDMKKOZXBVOV-UHFFFAOYSA-N -1 3 249.291 2.089 20 0 BEADHM CC1(C)[C@@H]2CN(Cc3occc3C(=O)[O-])C[C@@H]21 ZINC000380442006 367209042 /nfs/dbraw/zinc/20/90/42/367209042.db2.gz GIGKWZQQTFFUNR-AOOOYVTPSA-N -1 3 235.283 2.066 20 0 BEADHM CCCn1nccc1C(=O)Nc1ccccc1[O-] ZINC000622322541 370848424 /nfs/dbraw/zinc/84/84/24/370848424.db2.gz ULWRQEDNPJXVKD-UHFFFAOYSA-N -1 3 245.282 2.251 20 0 BEADHM O=C([O-])c1cnccc1N1CC[C@@H](CC2CC2)C1 ZINC000581946440 367973684 /nfs/dbraw/zinc/97/36/84/367973684.db2.gz NFSVCAUQQWNHFV-NSHDSACASA-N -1 3 246.310 2.406 20 0 BEADHM CC[C@@H](NCc1cc(F)c(F)cc1F)C(=O)[O-] ZINC000582003044 368123695 /nfs/dbraw/zinc/12/36/95/368123695.db2.gz QODNPXUOMKCTAW-SNVBAGLBSA-N -1 3 247.216 2.057 20 0 BEADHM CCOCCCC(=O)Nc1ccccc1[O-] ZINC000060613285 368548392 /nfs/dbraw/zinc/54/83/92/368548392.db2.gz XRMXRINKNQENEV-UHFFFAOYSA-N -1 3 223.272 2.147 20 0 BEADHM Cc1ccoc1C(=O)[N-]c1c(C)noc1C ZINC000063447377 368583844 /nfs/dbraw/zinc/58/38/44/368583844.db2.gz QNBDEICXPWGYQK-UHFFFAOYSA-N -1 3 220.228 2.445 20 0 BEADHM CCONC(=O)c1ccc(C(C)C)cc1[O-] ZINC000069537309 368754349 /nfs/dbraw/zinc/75/43/49/368754349.db2.gz UXSAYUXJHIVXST-UHFFFAOYSA-N -1 3 223.272 2.197 20 0 BEADHM CC[C@@H](C)CN(C)c1ccncc1C(=O)[O-] ZINC000088109720 368903920 /nfs/dbraw/zinc/90/39/20/368903920.db2.gz QXAVCYNPTIYIHM-SECBINFHSA-N -1 3 222.288 2.262 20 0 BEADHM O=C([O-])c1cnccc1N[C@@H]1CC=CCC1 ZINC000088109953 368904468 /nfs/dbraw/zinc/90/44/68/368904468.db2.gz GPKBTEZUCFFGIK-SECBINFHSA-N -1 3 218.256 2.300 20 0 BEADHM CCN(CCC(=O)[O-])Cc1sc(C)nc1C ZINC000084149076 368848725 /nfs/dbraw/zinc/84/87/25/368848725.db2.gz VVPOZIXGCCEOQJ-UHFFFAOYSA-N -1 3 242.344 2.057 20 0 BEADHM C[C@H]1CCC(C)(C)N1C(=O)Cc1cncc([O-])c1 ZINC000616166290 369003023 /nfs/dbraw/zinc/00/30/23/369003023.db2.gz WZKZOKONBASWSZ-JTQLQIEISA-N -1 3 248.326 2.119 20 0 BEADHM CC(C)O[C@H]1C[C@@H](NC(=O)c2cccc([O-])c2)C1 ZINC000457856436 203113016 /nfs/dbraw/zinc/11/30/16/203113016.db2.gz PAUHBKPXKRLFNH-BJHJDKERSA-N -1 3 249.310 2.078 20 0 BEADHM COc1cc(C(=O)N[C@@H]2C[C@H]2C(C)C)ccc1[O-] ZINC000458108162 203133947 /nfs/dbraw/zinc/13/39/47/203133947.db2.gz CYOFJRRHKNYRKM-WDEREUQCSA-N -1 3 249.310 2.175 20 0 BEADHM COc1ccc(C(=O)N[C@@H]2C[C@H]2C(C)C)c([O-])c1 ZINC000458143599 203141012 /nfs/dbraw/zinc/14/10/12/203141012.db2.gz QOTXSJSODTXMNB-NWDGAFQWSA-N -1 3 249.310 2.175 20 0 BEADHM CCc1cc(C(=O)N2CC[C@H]3C[C@H]3C2)ccc1[O-] ZINC000619372596 369329950 /nfs/dbraw/zinc/32/99/50/369329950.db2.gz PCDNOKROGTZNMK-AAEUAGOBSA-N -1 3 245.322 2.437 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H]3C[C@@H]3C2)c1 ZINC000619345517 369317667 /nfs/dbraw/zinc/31/76/67/369317667.db2.gz DXSNGLZQUCRKAI-GHMZBOCLSA-N -1 3 231.295 2.183 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)c1ccsn1 ZINC000622495011 370959372 /nfs/dbraw/zinc/95/93/72/370959372.db2.gz MQEAUPKUDGKUAW-UHFFFAOYSA-N -1 3 238.243 2.240 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@@]2(C)CC2(C)C)c1 ZINC000620081454 369719557 /nfs/dbraw/zinc/71/95/57/369719557.db2.gz FERHWQQXFVJMFX-AWEZNQCLSA-N -1 3 249.310 2.319 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@H]2C)c([O-])c1C ZINC000620213078 369772540 /nfs/dbraw/zinc/77/25/40/369772540.db2.gz YVTGOGNQAFYCGF-SECBINFHSA-N -1 3 219.284 2.243 20 0 BEADHM COc1cccc(C(=O)N2CC3CC2(C)C3)c1[O-] ZINC000621210801 370152229 /nfs/dbraw/zinc/15/22/29/370152229.db2.gz GLQFUJRIAUMZDN-UHFFFAOYSA-N -1 3 247.294 2.025 20 0 BEADHM CO[C@@H](C(=O)[N-]c1onc(C)c1C)C1CCC1 ZINC000621887167 370581249 /nfs/dbraw/zinc/58/12/49/370581249.db2.gz RVLKDGIUEFBUNJ-SNVBAGLBSA-N -1 3 238.287 2.045 20 0 BEADHM Cc1csc(C(=O)NCc2ncccc2[O-])c1 ZINC000622570719 371000705 /nfs/dbraw/zinc/00/07/05/371000705.db2.gz OWAUSVHCWSLUIX-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM Cc1ccoc1CN1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000304359592 371783071 /nfs/dbraw/zinc/78/30/71/371783071.db2.gz HVIAGZIGJPHYFA-MNOVXSKESA-N -1 3 237.299 2.131 20 0 BEADHM CCC1(NC(=O)c2cc(=O)[n-]cn2)CCCCC1 ZINC000627638413 371799814 /nfs/dbraw/zinc/79/98/14/371799814.db2.gz OIVVQKXTUJVVRT-UHFFFAOYSA-N -1 3 249.314 2.025 20 0 BEADHM Cc1noc([N-]C(=O)c2cc(C)ccc2F)n1 ZINC000134273251 372189651 /nfs/dbraw/zinc/18/96/51/372189651.db2.gz IFBBPMNGRBDQSC-UHFFFAOYSA-N -1 3 235.218 2.078 20 0 BEADHM O=C(CC1CSC1)Nc1cc(F)ccc1[O-] ZINC000632138938 372777522 /nfs/dbraw/zinc/77/75/22/372777522.db2.gz JUPONXJHMZXPOY-UHFFFAOYSA-N -1 3 241.287 2.223 20 0 BEADHM O=C(CC1CSC1)Nc1cccc([O-])c1F ZINC000632184316 372796547 /nfs/dbraw/zinc/79/65/47/372796547.db2.gz PZUSMMXURFHERG-UHFFFAOYSA-N -1 3 241.287 2.223 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000632265253 372845239 /nfs/dbraw/zinc/84/52/39/372845239.db2.gz RBWBSGZMFXVNSB-GARJFASQSA-N -1 3 249.310 2.453 20 0 BEADHM O=C(CSCC1CC1)Nc1ccccc1[O-] ZINC000359158913 182008161 /nfs/dbraw/zinc/00/81/61/182008161.db2.gz PVWNMCNICUHRDD-UHFFFAOYSA-N -1 3 237.324 2.474 20 0 BEADHM O=C(CC1CSC1)Nc1ccc([O-])cc1F ZINC000632344327 372891278 /nfs/dbraw/zinc/89/12/78/372891278.db2.gz XGKJVYVMNZZKGM-UHFFFAOYSA-N -1 3 241.287 2.223 20 0 BEADHM O=C(C[C@@H]1C=CCC1)[N-]OC/C=C/Cl ZINC000291814845 182014050 /nfs/dbraw/zinc/01/40/50/182014050.db2.gz LXFWEGYWHRXTQG-BSPAPZMXSA-N -1 3 215.680 2.143 20 0 BEADHM O=C(C[C@H]1C=CCC1)[N-]OC/C=C/Cl ZINC000291814846 182025349 /nfs/dbraw/zinc/02/53/49/182025349.db2.gz LXFWEGYWHRXTQG-SWTNXBIASA-N -1 3 215.680 2.143 20 0 BEADHM O=C([N-]C1(c2nccs2)CCCC1)C(F)F ZINC000194641934 182091812 /nfs/dbraw/zinc/09/18/12/182091812.db2.gz XPUGIVJOXVAJHZ-UHFFFAOYSA-N -1 3 246.282 2.294 20 0 BEADHM O=C(NCCCC(F)(F)F)c1ccccc1[O-] ZINC000097989221 182158852 /nfs/dbraw/zinc/15/88/52/182158852.db2.gz NHTYXGONSUSJFP-UHFFFAOYSA-N -1 3 247.216 2.465 20 0 BEADHM O=C(NC[C@@H]1CC=CCC1)c1cccc([O-])c1 ZINC000045647695 182223366 /nfs/dbraw/zinc/22/33/66/182223366.db2.gz DHNUAJXDKLKROV-LLVKDONJSA-N -1 3 231.295 2.478 20 0 BEADHM O=C(NOCCC(F)(F)F)c1ccccc1[O-] ZINC000155049485 182283414 /nfs/dbraw/zinc/28/34/14/182283414.db2.gz BMNOPDUBPFXQIJ-UHFFFAOYSA-N -1 3 249.188 2.006 20 0 BEADHM O=C(N[C@H]1CC12CCCC2)c1cccc([O-])c1 ZINC000336117508 182326337 /nfs/dbraw/zinc/32/63/37/182326337.db2.gz OOKYKFUQQVSHTO-LBPRGKRZSA-N -1 3 231.295 2.455 20 0 BEADHM O=C(N[C@H]1CCCSC1)c1ccccc1[O-] ZINC000129158193 182331300 /nfs/dbraw/zinc/33/13/00/182331300.db2.gz DYBBCTIFBJOULW-VIFPVBQESA-N -1 3 237.324 2.018 20 0 BEADHM O=C(N[C@H]1CCC[C@H]1F)c1ccccc1[O-] ZINC000336365936 182333280 /nfs/dbraw/zinc/33/32/80/182333280.db2.gz IBXFNUZGDLRSKP-ZJUUUORDSA-N -1 3 223.247 2.013 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCOC1 ZINC000049342304 182347503 /nfs/dbraw/zinc/34/75/03/182347503.db2.gz ATQMLOXNUPSLPW-ZETCQYMHSA-N -1 3 241.674 2.021 20 0 BEADHM O=C(Nc1cccc(CO)c1)c1cccc([O-])c1 ZINC000037975478 182367959 /nfs/dbraw/zinc/36/79/59/182367959.db2.gz UHYLKBCDWLPVSI-UHFFFAOYSA-N -1 3 243.262 2.137 20 0 BEADHM O=C(Nc1ccncc1[O-])[C@H]1CC=CCC1 ZINC000109889241 182387886 /nfs/dbraw/zinc/38/78/86/182387886.db2.gz NODIZMXLOUUCQY-VIFPVBQESA-N -1 3 218.256 2.082 20 0 BEADHM O=C(Nc1ncccc1[O-])[C@@H]1CCCCS1 ZINC000273131562 182399317 /nfs/dbraw/zinc/39/93/17/182399317.db2.gz UZIVEHKQHZUIGL-VIFPVBQESA-N -1 3 238.312 2.011 20 0 BEADHM O=C(Nc1csc2ccccc12)c1nc[n-]n1 ZINC000352721660 182396650 /nfs/dbraw/zinc/39/66/50/182396650.db2.gz VPOXVCWDYCQCIT-UHFFFAOYSA-N -1 3 244.279 2.272 20 0 BEADHM O=c1[n-]c(=O)n(CC2=CCCCC2)cc1Cl ZINC000336276716 183010329 /nfs/dbraw/zinc/01/03/29/183010329.db2.gz YCRCCXGYRNUVPZ-UHFFFAOYSA-N -1 3 240.690 2.103 20 0 BEADHM [O-]c1cc(F)cc(CNc2ccc(CO)cn2)c1 ZINC000356298221 183166120 /nfs/dbraw/zinc/16/61/20/183166120.db2.gz GJJXCJSYOYEJPH-UHFFFAOYSA-N -1 3 248.257 2.031 20 0 BEADHM CCCN(CC(=O)[O-])Cc1ccnc(Cl)c1 ZINC000184917764 169099300 /nfs/dbraw/zinc/09/93/00/169099300.db2.gz KXIOTZTVRRWBCE-UHFFFAOYSA-N -1 3 242.706 2.032 20 0 BEADHM CCCN(CCC)C(=O)c1ccc2n[n-]nc2c1 ZINC000045829458 169146002 /nfs/dbraw/zinc/14/60/02/169146002.db2.gz BYTKURPWHRVVMT-UHFFFAOYSA-N -1 3 246.314 2.220 20 0 BEADHM [O-]c1cccc(CN2CCC(O)CC2)c1Cl ZINC000294336570 183288232 /nfs/dbraw/zinc/28/82/32/183288232.db2.gz AFQODFIPRYJRTH-UHFFFAOYSA-N -1 3 241.718 2.002 20 0 BEADHM [O-]c1cccc(CNC[C@@H]2CCCO2)c1Cl ZINC000328360501 183291387 /nfs/dbraw/zinc/29/13/87/183291387.db2.gz OWAZENBORWCING-JTQLQIEISA-N -1 3 241.718 2.314 20 0 BEADHM c1ccc(-c2nc(SCC3CC3)n[n-]2)nc1 ZINC000130151095 183382568 /nfs/dbraw/zinc/38/25/68/183382568.db2.gz GJSSSBHVZLYHDJ-UHFFFAOYSA-N -1 3 232.312 2.369 20 0 BEADHM CCC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000019838039 169369136 /nfs/dbraw/zinc/36/91/36/169369136.db2.gz FIHILYUDBHRTNL-SECBINFHSA-N -1 3 207.273 2.311 20 0 BEADHM CC[C@H]1CN(C(=O)c2ccccc2[O-])C[C@@H](C)O1 ZINC000111644585 383872542 /nfs/dbraw/zinc/87/25/42/383872542.db2.gz HEUVLTBQAUMXDT-MNOVXSKESA-N -1 3 249.310 2.032 20 0 BEADHM CCO[N-]C(=O)/C=C\c1ccc(Cl)s1 ZINC000214556228 383899429 /nfs/dbraw/zinc/89/94/29/383899429.db2.gz ULNHZIUZCNTJLG-XQRVVYSFSA-N -1 3 231.704 2.482 20 0 BEADHM CCN(CC1CC1)C(=O)c1cccc([O-])c1 ZINC000068947485 384024842 /nfs/dbraw/zinc/02/48/42/384024842.db2.gz WJPQDFHPVWLUPX-UHFFFAOYSA-N -1 3 219.284 2.264 20 0 BEADHM O=C(NOc1ccc(F)cc1)c1ccccc1[O-] ZINC001645096404 1172634231 /nfs/dbraw/zinc/63/42/31/1172634231.db2.gz JWGKKLOJBXXAFU-UHFFFAOYSA-N -1 3 247.225 2.255 20 0 BEADHM O=C(Cc1ccc(O)cc1)Nc1ccccc1[O-] ZINC000082265554 384224498 /nfs/dbraw/zinc/22/44/98/384224498.db2.gz MVTQWOIFBOAVPR-UHFFFAOYSA-N -1 3 243.262 2.279 20 0 BEADHM CCO[N-]C(=O)Nc1c(C)cccc1F ZINC000133828253 384315207 /nfs/dbraw/zinc/31/52/07/384315207.db2.gz JKUDNEWSEUWAHP-UHFFFAOYSA-N -1 3 212.224 2.207 20 0 BEADHM Cc1ccc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)o1 ZINC000304414643 384288580 /nfs/dbraw/zinc/28/85/80/384288580.db2.gz QDOQAPCHDTZKMF-BXKDBHETSA-N -1 3 237.299 2.131 20 0 BEADHM CCN(CC(C)C)C(=O)/C=C/c1cncc([O-])c1 ZINC000179424730 384288940 /nfs/dbraw/zinc/28/89/40/384288940.db2.gz CZSZUISLZPPDID-AATRIKPKSA-N -1 3 248.326 2.305 20 0 BEADHM C[C@H](C1CC1)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000179426285 384289436 /nfs/dbraw/zinc/28/94/36/384289436.db2.gz CXZSBTOHORYPDB-QLCVYAKKSA-N -1 3 246.310 2.057 20 0 BEADHM Cc1cc(CN2CCC[C@H]2C(=O)[O-])c(C)s1 ZINC000083403987 384295561 /nfs/dbraw/zinc/29/55/61/384295561.db2.gz HBEZCQRCXRMTGK-NSHDSACASA-N -1 3 239.340 2.414 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H](C)C2)c1 ZINC000075412497 384323446 /nfs/dbraw/zinc/32/34/46/384323446.db2.gz TXPPYPHQBAQLMZ-QWRGUYRKSA-N -1 3 233.311 2.429 20 0 BEADHM CC(C)C[C@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000120971896 384393002 /nfs/dbraw/zinc/39/30/02/384393002.db2.gz XHDMXTPJCCWSTO-VIFPVBQESA-N -1 3 246.314 2.122 20 0 BEADHM CC(C)(C)/C=C\C(=O)Nc1ncccc1[O-] ZINC000255117093 384405777 /nfs/dbraw/zinc/40/57/77/384405777.db2.gz WUTBOLNJDKGYFL-SREVYHEPSA-N -1 3 220.272 2.328 20 0 BEADHM CCN(Cc1occc1C(=O)[O-])C(C)C ZINC000035433024 384410498 /nfs/dbraw/zinc/41/04/98/384410498.db2.gz UPFGRNYARLODSY-UHFFFAOYSA-N -1 3 211.261 2.208 20 0 BEADHM O=C(c1ccccc1[O-])N1CC[C@H]2CCC[C@H]21 ZINC000334248271 384416097 /nfs/dbraw/zinc/41/60/97/384416097.db2.gz PDLLMFZUMONCPG-ZYHUDNBSSA-N -1 3 231.295 2.407 20 0 BEADHM CC(C)CO[N-]C(=O)Cc1c[nH]c2ccccc12 ZINC000135329813 384433226 /nfs/dbraw/zinc/43/32/26/384433226.db2.gz LQLNYERIJQUDPW-UHFFFAOYSA-N -1 3 246.310 2.414 20 0 BEADHM CC(C)CO[N-]C(=O)c1ccc(F)c(F)c1F ZINC000135344208 384436438 /nfs/dbraw/zinc/43/64/38/384436438.db2.gz JZRIVLJLLUSTQI-UHFFFAOYSA-N -1 3 247.216 2.421 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC2CC(C)C2)c1 ZINC000080117402 384532558 /nfs/dbraw/zinc/53/25/58/384532558.db2.gz DREQHSACADUTRJ-UHFFFAOYSA-N -1 3 219.284 2.229 20 0 BEADHM Cc1ccc(C(=O)Nc2cccnc2)c([O-])c1 ZINC000019837583 384544360 /nfs/dbraw/zinc/54/43/60/384544360.db2.gz PQBMAYQWLXIFAG-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM O=C([O-])CN(Cc1cc(F)cc(F)c1)C1CC1 ZINC000097903968 384576105 /nfs/dbraw/zinc/57/61/05/384576105.db2.gz UPPNSCCCUSAWSG-UHFFFAOYSA-N -1 3 241.237 2.014 20 0 BEADHM CC1(C)CC[C@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000220260036 384617177 /nfs/dbraw/zinc/61/71/77/384617177.db2.gz JGWFSHRYWMNLAQ-VIFPVBQESA-N -1 3 249.310 2.406 20 0 BEADHM C[C@@H](c1ccccn1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000518769444 384617258 /nfs/dbraw/zinc/61/72/58/384617258.db2.gz VKTZMHGVYFCYHB-WOPDTQHZSA-N -1 3 248.326 2.185 20 0 BEADHM CCc1cccc(C(=O)NC[C@@H]2C[C@H]2C)c1[O-] ZINC000531118735 384618652 /nfs/dbraw/zinc/61/86/52/384618652.db2.gz MJROVQHOBXDLFG-KOLCDFICSA-N -1 3 233.311 2.340 20 0 BEADHM Cc1ccc([O-])c(C(=O)N(C)CC(F)F)c1 ZINC000103399894 384619649 /nfs/dbraw/zinc/61/96/49/384619649.db2.gz DZINJOIUANODHU-UHFFFAOYSA-N -1 3 229.226 2.038 20 0 BEADHM CC(C)n1[n-]cc/c1=N\C(=O)N[C@@H]1CC=CCC1 ZINC000172481522 384593727 /nfs/dbraw/zinc/59/37/27/384593727.db2.gz NVFSXHGAZGWYKH-VFJWTBQQSA-N -1 3 248.330 2.116 20 0 BEADHM CC(C)n1[n-]cc/c1=N\C(=O)N[C@H]1CC=CCC1 ZINC000172481517 384593882 /nfs/dbraw/zinc/59/38/82/384593882.db2.gz NVFSXHGAZGWYKH-NRMVZKHRSA-N -1 3 248.330 2.116 20 0 BEADHM CCC1(C)CN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000334945529 384696728 /nfs/dbraw/zinc/69/67/28/384696728.db2.gz PQUSJTJIFZEFPI-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM CC[C@H](C)CNC(=O)c1cc(C)ccc1[O-] ZINC000054475119 384735075 /nfs/dbraw/zinc/73/50/75/384735075.db2.gz WZJFFGIQTRGIDR-VIFPVBQESA-N -1 3 221.300 2.477 20 0 BEADHM Cc1ccc(CNCc2nc(C)ccc2[O-])nc1 ZINC000400826669 384771943 /nfs/dbraw/zinc/77/19/43/384771943.db2.gz BUHKGNRKIUGHGS-UHFFFAOYSA-N -1 3 243.310 2.089 20 0 BEADHM CC[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000185993525 384803936 /nfs/dbraw/zinc/80/39/36/384803936.db2.gz KTYYFBBQAATXFL-SECBINFHSA-N -1 3 245.319 2.211 20 0 BEADHM O=C(N[C@@H]1CC12CC2)c1cc([O-])ccc1Cl ZINC000335510757 384885381 /nfs/dbraw/zinc/88/53/81/384885381.db2.gz JONFQHKTFSZBIU-SNVBAGLBSA-N -1 3 237.686 2.328 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@@H]2C)c1 ZINC000177028456 384848663 /nfs/dbraw/zinc/84/86/63/384848663.db2.gz KDYSKKUMLRJMSE-ZJUUUORDSA-N -1 3 249.310 2.271 20 0 BEADHM Cc1ccc(NC(=O)[C@H]2CCCOC2)c([O-])c1 ZINC000054768868 384854068 /nfs/dbraw/zinc/85/40/68/384854068.db2.gz XJCQVLIFKIILKX-JTQLQIEISA-N -1 3 235.283 2.066 20 0 BEADHM O=C(c1cccc([O-])c1)N1CC2CCC1CC2 ZINC000310142935 384856599 /nfs/dbraw/zinc/85/65/99/384856599.db2.gz NIRHPLWXNUVQQU-UHFFFAOYSA-N -1 3 231.295 2.407 20 0 BEADHM O=C(CC[C@@H]1CCOC1)Nc1ccccc1[O-] ZINC000175860663 384973146 /nfs/dbraw/zinc/97/31/46/384973146.db2.gz OTQJTEWEZZQKIC-SNVBAGLBSA-N -1 3 235.283 2.147 20 0 BEADHM Cc1sccc1CNCc1ncccc1[O-] ZINC000339376538 384993695 /nfs/dbraw/zinc/99/36/95/384993695.db2.gz JYXHEROYTHSPKP-UHFFFAOYSA-N -1 3 234.324 2.447 20 0 BEADHM CC[C@@H](C)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000104731868 385020748 /nfs/dbraw/zinc/02/07/48/385020748.db2.gz QHBRJUPQNATHJK-SECBINFHSA-N -1 3 245.319 2.211 20 0 BEADHM C[C@@H](C(=O)Nc1ccccc1[O-])C1CC1 ZINC000175812180 384962467 /nfs/dbraw/zinc/96/24/67/384962467.db2.gz ABNYXGKOGCYYJY-MRVPVSSYSA-N -1 3 205.257 2.377 20 0 BEADHM CC[C@H](NCc1sccc1Cl)C(=O)[O-] ZINC000647467087 385058464 /nfs/dbraw/zinc/05/84/64/385058464.db2.gz RYRGPYSYWIQOPF-ZETCQYMHSA-N -1 3 233.720 2.354 20 0 BEADHM CCc1ccc(C(=O)N[C@H](C)CC(C)=O)c([O-])c1 ZINC000188512579 385064332 /nfs/dbraw/zinc/06/43/32/385064332.db2.gz QKBRGXPOBHDRBE-SECBINFHSA-N -1 3 249.310 2.052 20 0 BEADHM Cc1ccc(C(=O)NCc2ccco2)c([O-])c1 ZINC000019837117 385114318 /nfs/dbraw/zinc/11/43/18/385114318.db2.gz IICDEICJACPHIQ-UHFFFAOYSA-N -1 3 231.251 2.224 20 0 BEADHM Cc1cc(C(=O)N2CC(C3CC3)C2)ccc1[O-] ZINC000644685928 385104848 /nfs/dbraw/zinc/10/48/48/385104848.db2.gz MYBBJHMCYIOVEV-UHFFFAOYSA-N -1 3 231.295 2.183 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCC[C@H](C)CC2)n1 ZINC000176828830 385150614 /nfs/dbraw/zinc/15/06/14/385150614.db2.gz LYXMTTDREWEWNH-NSHDSACASA-N -1 3 249.358 2.367 20 0 BEADHM CO[N-]C(=O)CCCc1ccccc1Cl ZINC000062141743 385160045 /nfs/dbraw/zinc/16/00/45/385160045.db2.gz YYTUROLKRYIGCG-UHFFFAOYSA-N -1 3 227.691 2.340 20 0 BEADHM CCOC([O-])=NOCCCc1ccccc1 ZINC000309186542 385200938 /nfs/dbraw/zinc/20/09/38/385200938.db2.gz JSGAHELVWLDGSS-UHFFFAOYSA-N -1 3 223.272 2.297 20 0 BEADHM CCOC(=O)[N-]OCCCc1ccccc1 ZINC000309186542 385200945 /nfs/dbraw/zinc/20/09/45/385200945.db2.gz JSGAHELVWLDGSS-UHFFFAOYSA-N -1 3 223.272 2.297 20 0 BEADHM CC(C)c1noc([N-]Cc2cscn2)n1 ZINC000119873319 385177621 /nfs/dbraw/zinc/17/76/21/385177621.db2.gz IPZNRJZCJAWEOO-UHFFFAOYSA-N -1 3 224.289 2.262 20 0 BEADHM CCO[N-]C(=O)Nc1cccc2ccn(C)c21 ZINC000190034785 385206568 /nfs/dbraw/zinc/20/65/68/385206568.db2.gz NFVGWQNNFICNTM-UHFFFAOYSA-N -1 3 233.271 2.251 20 0 BEADHM CN(Cc1cc(C(=O)[O-])co1)C1CCCC1 ZINC000051330328 385240743 /nfs/dbraw/zinc/24/07/43/385240743.db2.gz OJYDJOAAPYSPCA-UHFFFAOYSA-N -1 3 223.272 2.352 20 0 BEADHM CCC1(NC(=O)c2ccccc2[O-])CCOCC1 ZINC000336354264 385249676 /nfs/dbraw/zinc/24/96/76/385249676.db2.gz YCIZYSCKFJSJSJ-UHFFFAOYSA-N -1 3 249.310 2.081 20 0 BEADHM Cc1ccc(C(=O)N[C@H]2CC23CC3)c([O-])c1C ZINC000424961083 385252869 /nfs/dbraw/zinc/25/28/69/385252869.db2.gz ABPRZOWTUDAMLB-NSHDSACASA-N -1 3 231.295 2.291 20 0 BEADHM CCc1ccc(C(=O)N(C)CC2CC2)c([O-])c1 ZINC000189978410 385204111 /nfs/dbraw/zinc/20/41/11/385204111.db2.gz IJQYJQGDLWPYFV-UHFFFAOYSA-N -1 3 233.311 2.437 20 0 BEADHM Cc1ccc(C(=O)NCC(C)C)c([O-])c1 ZINC000019837236 385324026 /nfs/dbraw/zinc/32/40/26/385324026.db2.gz UYUWLBBQCIAJFA-UHFFFAOYSA-N -1 3 207.273 2.086 20 0 BEADHM CCO[N-]C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC000177580398 385263284 /nfs/dbraw/zinc/26/32/84/385263284.db2.gz KJUSVTPAMMKKLZ-SNVBAGLBSA-N -1 3 237.299 2.257 20 0 BEADHM CCON=C([O-])Nc1ncc(C(C)C)s1 ZINC000192398033 385355581 /nfs/dbraw/zinc/35/55/81/385355581.db2.gz YECSAPIBKSOYCA-UHFFFAOYSA-N -1 3 229.305 2.340 20 0 BEADHM CCO[N-]C(=O)Nc1ncc(C(C)C)s1 ZINC000192398033 385355586 /nfs/dbraw/zinc/35/55/86/385355586.db2.gz YECSAPIBKSOYCA-UHFFFAOYSA-N -1 3 229.305 2.340 20 0 BEADHM CCc1cccc(C(=O)N2C[C@@H](C)[C@@H]2C)c1[O-] ZINC000647314926 385361875 /nfs/dbraw/zinc/36/18/75/385361875.db2.gz IQWQWMDWOKKHBW-ZJUUUORDSA-N -1 3 233.311 2.435 20 0 BEADHM CSCCCCC(=O)Nc1ncccc1[O-] ZINC000154881371 385362957 /nfs/dbraw/zinc/36/29/57/385362957.db2.gz HCXABYPHNNFVIS-UHFFFAOYSA-N -1 3 240.328 2.259 20 0 BEADHM CC[C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000154901028 385364959 /nfs/dbraw/zinc/36/49/59/385364959.db2.gz FUZUKRANDKSARR-MRVPVSSYSA-N -1 3 240.278 2.129 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@@H]2C=CCCC2)c1 ZINC000158245575 385370075 /nfs/dbraw/zinc/37/00/75/385370075.db2.gz OKIQHOOUCBGZJU-SNVBAGLBSA-N -1 3 247.294 2.239 20 0 BEADHM C[C@@H]1CCN(C(=O)C(F)F)c2c([O-])cccc21 ZINC000194869115 385450886 /nfs/dbraw/zinc/45/08/86/385450886.db2.gz PCJFQTUYCCIOOW-SSDOTTSWSA-N -1 3 241.237 2.498 20 0 BEADHM CCc1cc(C(=O)N2CC(C)(C)C2)ccc1[O-] ZINC000644083644 385433692 /nfs/dbraw/zinc/43/36/92/385433692.db2.gz XRGPKPUSOQLCSP-UHFFFAOYSA-N -1 3 233.311 2.437 20 0 BEADHM COC(C)(C)C(=O)Nc1ccc(C)cc1[O-] ZINC000171664453 385505040 /nfs/dbraw/zinc/50/50/40/385505040.db2.gz LRJFQJQBFIVDJM-UHFFFAOYSA-N -1 3 223.272 2.064 20 0 BEADHM CC(C)n1ccc(NC(=O)c2cccc([O-])c2)n1 ZINC000302288244 385508698 /nfs/dbraw/zinc/50/86/98/385508698.db2.gz WNQTWKJBGLYTTF-UHFFFAOYSA-N -1 3 245.282 2.422 20 0 BEADHM CC(=O)[N-]O[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000180798059 385547400 /nfs/dbraw/zinc/54/74/00/385547400.db2.gz RJFGRAMEGAMHPZ-ZETCQYMHSA-N -1 3 226.276 2.101 20 0 BEADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])C1CCCC1 ZINC000172097303 385548212 /nfs/dbraw/zinc/54/82/12/385548212.db2.gz AKKUOWJYDUKVDM-SECBINFHSA-N -1 3 249.310 2.406 20 0 BEADHM C[C@@H](NC(=O)c1c([O-])cccc1O)C1CCCC1 ZINC000180853783 385550460 /nfs/dbraw/zinc/55/04/60/385550460.db2.gz YHOXTLJOAZLWMK-SECBINFHSA-N -1 3 249.310 2.406 20 0 BEADHM CCc1cccc(Cl)c1CNCCC(=O)[O-] ZINC000336679439 385624876 /nfs/dbraw/zinc/62/48/76/385624876.db2.gz AJHTVZCYKNXEGH-UHFFFAOYSA-N -1 3 241.718 2.467 20 0 BEADHM CCSc1ccc(CC(=O)[N-]OC)cc1 ZINC000269698567 385626557 /nfs/dbraw/zinc/62/65/57/385626557.db2.gz LPAVOXLHULXVTF-UHFFFAOYSA-N -1 3 225.313 2.019 20 0 BEADHM CC[C@](C)(OC)C(=O)[N-]c1onc(C)c1C ZINC000281375546 385664476 /nfs/dbraw/zinc/66/44/76/385664476.db2.gz FBMZYWGYJDCZCG-NSHDSACASA-N -1 3 226.276 2.045 20 0 BEADHM CC[C@H]1CCCC[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000337405587 385651050 /nfs/dbraw/zinc/65/10/50/385651050.db2.gz SHNSCDGNTOLXCK-GXSJLCMTSA-N -1 3 245.330 2.107 20 0 BEADHM CCc1cc(=O)[n-]c(CN[C@H]2CCC[C@@H]2C)n1 ZINC000337465355 385672264 /nfs/dbraw/zinc/67/22/64/385672264.db2.gz MILPJDWJNIYVTP-ONGXEEELSA-N -1 3 235.331 2.023 20 0 BEADHM O=C(/C=C/c1cncs1)[N-]OC1CCCC1 ZINC000281610739 385687271 /nfs/dbraw/zinc/68/72/71/385687271.db2.gz BCITXQNOBSTPIT-AATRIKPKSA-N -1 3 238.312 2.147 20 0 BEADHM CCCc1nc(C)c(C(=O)[N-]c2cnoc2)o1 ZINC000645233594 385693270 /nfs/dbraw/zinc/69/32/70/385693270.db2.gz URRDNEKXWRRWFT-UHFFFAOYSA-N -1 3 235.243 2.176 20 0 BEADHM CCO[N-]C(=O)Nc1cccc(CC)c1 ZINC000182883740 385716287 /nfs/dbraw/zinc/71/62/87/385716287.db2.gz CVCZDDTWSICGDD-UHFFFAOYSA-N -1 3 208.261 2.322 20 0 BEADHM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000335251116 385733422 /nfs/dbraw/zinc/73/34/22/385733422.db2.gz LZTLICQUTYYGDL-DTWKUNHWSA-N -1 3 245.369 2.071 20 0 BEADHM CC(C)n1cc(NC(=O)c2cccc([O-])c2)cn1 ZINC000061683901 385744841 /nfs/dbraw/zinc/74/48/41/385744841.db2.gz YKRYDZKSJBHHMK-UHFFFAOYSA-N -1 3 245.282 2.422 20 0 BEADHM CCSCCCNC(=O)c1ccccc1[O-] ZINC000282648088 385775722 /nfs/dbraw/zinc/77/57/22/385775722.db2.gz LWMJYMPJXRFTJL-UHFFFAOYSA-N -1 3 239.340 2.265 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c([O-])c1 ZINC000282644550 385775759 /nfs/dbraw/zinc/77/57/59/385775759.db2.gz KRDHWPASVUFOGZ-GBIKHYSHSA-N -1 3 249.310 2.453 20 0 BEADHM CO[C@@]1(C)CCCN(C(=O)c2ccccc2[O-])C1 ZINC000230268652 385725905 /nfs/dbraw/zinc/72/59/05/385725905.db2.gz OCUMPOQARLPHHN-AWEZNQCLSA-N -1 3 249.310 2.033 20 0 BEADHM O=C(CCc1nccs1)[N-]OC1CCCC1 ZINC000271653142 385842520 /nfs/dbraw/zinc/84/25/20/385842520.db2.gz FMPDVSUBPJRYFS-UHFFFAOYSA-N -1 3 240.328 2.066 20 0 BEADHM CC(C)CO[N-]C(=O)CCc1ccc(O)cc1 ZINC000272600096 385916805 /nfs/dbraw/zinc/91/68/05/385916805.db2.gz FCDMCWFTCHWWSV-UHFFFAOYSA-N -1 3 237.299 2.029 20 0 BEADHM Cc1nc([N-]C(=O)c2sccc2Cl)n[nH]1 ZINC000127825223 385919012 /nfs/dbraw/zinc/91/90/12/385919012.db2.gz IDHBPDNFNORNME-UHFFFAOYSA-N -1 3 242.691 2.080 20 0 BEADHM CC(C)CO[N-]C(=O)C1Cc2ccccc2C1 ZINC000232586143 385881485 /nfs/dbraw/zinc/88/14/85/385881485.db2.gz JEAZNMBMQIPXLS-UHFFFAOYSA-N -1 3 233.311 2.105 20 0 BEADHM O=C(CC1CC1)[N-]OCc1ccc(F)cc1 ZINC000273256103 385982992 /nfs/dbraw/zinc/98/29/92/385982992.db2.gz FDPLQGAGKSGCBZ-UHFFFAOYSA-N -1 3 223.247 2.174 20 0 BEADHM CC(C)(C)c1cc2c([n-]c(CO)nc2=O)s1 ZINC000335048485 385944178 /nfs/dbraw/zinc/94/41/78/385944178.db2.gz AWRRPCGFMIBMJX-UHFFFAOYSA-N -1 3 238.312 2.187 20 0 BEADHM CCC[C@H]1CN(C(=O)c2cccc([O-])c2)CCO1 ZINC000272934419 385953014 /nfs/dbraw/zinc/95/30/14/385953014.db2.gz GQPMFVXJSAQDIF-ZDUSSCGKSA-N -1 3 249.310 2.033 20 0 BEADHM Cc1ccc([O-])c(-c2nc(C3(N)CCC3)no2)c1 ZINC000414626730 385993957 /nfs/dbraw/zinc/99/39/57/385993957.db2.gz KRNAZLHZKZFKBS-UHFFFAOYSA-N -1 3 245.282 2.089 20 0 BEADHM Cc1ccc([O-])c(NC(=O)CCC(F)(F)F)n1 ZINC000273437899 386002207 /nfs/dbraw/zinc/00/22/07/386002207.db2.gz FQVZDEUAUWLQSO-UHFFFAOYSA-N -1 3 248.204 2.377 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@H](C)C2CC2)n1 ZINC000273471746 386003418 /nfs/dbraw/zinc/00/34/18/386003418.db2.gz JQZQHXFVXBMLDC-MRVPVSSYSA-N -1 3 220.272 2.080 20 0 BEADHM Cc1ccc([O-])c(NC(=O)CC2CCC2)n1 ZINC000273575160 386013137 /nfs/dbraw/zinc/01/31/37/386013137.db2.gz YLTVDXVNDNTGNC-UHFFFAOYSA-N -1 3 220.272 2.224 20 0 BEADHM Cc1ccc([O-])c(CN2CCSC[C@H]2C)n1 ZINC000334461372 386118041 /nfs/dbraw/zinc/11/80/41/386118041.db2.gz OTJLBJXXMUBQKY-SNVBAGLBSA-N -1 3 238.356 2.033 20 0 BEADHM Cc1noc(Cl)c1CCC(=O)[N-]OC(C)C ZINC000295736581 386078567 /nfs/dbraw/zinc/07/85/67/386078567.db2.gz SDUOHTWPFKIINN-UHFFFAOYSA-N -1 3 246.694 2.025 20 0 BEADHM Cc1noc(C)c1[C@@H](C)CC(=O)[N-]OC(C)C ZINC000295788649 386084901 /nfs/dbraw/zinc/08/49/01/386084901.db2.gz YTTVRBVFJIRMLK-QMMMGPOBSA-N -1 3 240.303 2.241 20 0 BEADHM CC[C@H]1CCN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000130316551 386152673 /nfs/dbraw/zinc/15/26/73/386152673.db2.gz HAUSJHNNTTZLBW-JTQLQIEISA-N -1 3 249.310 2.273 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C)o1 ZINC000334466962 386130413 /nfs/dbraw/zinc/13/04/13/386130413.db2.gz VZNNKZIBYLGVKR-WCBMZHEXSA-N -1 3 243.328 2.055 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2CO[C@H](C)C2)c([O-])c1 ZINC000132768297 386253080 /nfs/dbraw/zinc/25/30/80/386253080.db2.gz HGMKGFZWUYLIFF-ZJUUUORDSA-N -1 3 235.283 2.064 20 0 BEADHM Cc1cnc([C@@H](C)[N-]C(=O)C(C)(F)F)s1 ZINC000289059478 386255986 /nfs/dbraw/zinc/25/59/86/386255986.db2.gz ATXPTTVLMCRNSO-ZCFIWIBFSA-N -1 3 234.271 2.284 20 0 BEADHM CC(F)(F)C(=O)[N-]Cc1ccc(F)cc1F ZINC000288430019 386198002 /nfs/dbraw/zinc/19/80/02/386198002.db2.gz BQBKPQYXMIAJSA-UHFFFAOYSA-N -1 3 235.180 2.236 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2cccc(O)c2)n1 ZINC000339116836 386259279 /nfs/dbraw/zinc/25/92/79/386259279.db2.gz PQNYBVRFNLQUTI-WAYWQWQTSA-N -1 3 228.251 2.367 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccncc1C ZINC000297901668 386283423 /nfs/dbraw/zinc/28/34/23/386283423.db2.gz XOIGXRCVYQTYBX-SECBINFHSA-N -1 3 237.303 2.489 20 0 BEADHM CO[C@@H](C(=O)Nc1c(C)cccc1[O-])C1CC1 ZINC000298118173 386301075 /nfs/dbraw/zinc/30/10/75/386301075.db2.gz APWILJKZDWKTSG-GFCCVEGCSA-N -1 3 235.283 2.064 20 0 BEADHM CSc1nnc(NC(=O)/C=C/C(C)(C)C)[n-]1 ZINC000265252313 386322120 /nfs/dbraw/zinc/32/21/20/386322120.db2.gz KFSHSVKFTXGYJU-AATRIKPKSA-N -1 3 240.332 2.067 20 0 BEADHM CSc1n[n-]c(NC(=O)C=CC(C)(C)C)n1 ZINC000265252313 386322121 /nfs/dbraw/zinc/32/21/21/386322121.db2.gz KFSHSVKFTXGYJU-AATRIKPKSA-N -1 3 240.332 2.067 20 0 BEADHM CSc1nc(NC(=O)C=CC(C)(C)C)n[n-]1 ZINC000265252313 386322125 /nfs/dbraw/zinc/32/21/25/386322125.db2.gz KFSHSVKFTXGYJU-AATRIKPKSA-N -1 3 240.332 2.067 20 0 BEADHM CC(C)N(C(=O)c1ccccc1[O-])C1CC1 ZINC000298430060 386343480 /nfs/dbraw/zinc/34/34/80/386343480.db2.gz WPQFTBNQHRRROO-UHFFFAOYSA-N -1 3 219.284 2.405 20 0 BEADHM C[C@@H]1Oc2ccccc2[C@H]1[N-]C(=O)C(C)(F)F ZINC000289661274 386337506 /nfs/dbraw/zinc/33/75/06/386337506.db2.gz FOFACLXPCWICJG-XVKPBYJWSA-N -1 3 241.237 2.280 20 0 BEADHM CO[C@@H](C)CCC(=O)[N-]OCc1ccccc1 ZINC000182986785 386442225 /nfs/dbraw/zinc/44/22/25/386442225.db2.gz AEKFDKZYHFDFCZ-NSHDSACASA-N -1 3 237.299 2.050 20 0 BEADHM CSC[C@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000227031689 386449562 /nfs/dbraw/zinc/44/95/62/386449562.db2.gz YALXBJHSGZMDQR-VIFPVBQESA-N -1 3 239.340 2.182 20 0 BEADHM C[C@@H]1CC[C@H](c2nc(-c3cc(=O)[n-]cn3)no2)C1 ZINC000351373422 386412169 /nfs/dbraw/zinc/41/21/69/386412169.db2.gz QGHBWFLIOOPVEK-SFYZADRCSA-N -1 3 246.270 2.136 20 0 BEADHM CC[C@@H](C)C[C@@H](C)Nc1nc2nncc-2c(O)[n-]1 ZINC000290864343 386483932 /nfs/dbraw/zinc/48/39/32/386483932.db2.gz YZBHCNLEINITHS-HTQZYQBOSA-N -1 3 249.318 2.295 20 0 BEADHM Cc1co[n-]c1=NC(=O)c1c(C)noc1C(C)C ZINC000335434359 386493617 /nfs/dbraw/zinc/49/36/17/386493617.db2.gz JFESYNMXFNFFAG-UHFFFAOYSA-N -1 3 249.270 2.077 20 0 BEADHM Cc1ccc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)o1 ZINC000335443302 386503338 /nfs/dbraw/zinc/50/33/38/386503338.db2.gz NDEXVQFESADMFH-JOYOIKCWSA-N -1 3 237.299 2.131 20 0 BEADHM Cc1ccoc1CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000335444060 386506694 /nfs/dbraw/zinc/50/66/94/386506694.db2.gz RBXICOZIKSMCGG-MWLCHTKSSA-N -1 3 237.299 2.131 20 0 BEADHM CCc1ccc(C(=O)NCc2ccco2)c([O-])c1 ZINC000188380388 386457660 /nfs/dbraw/zinc/45/76/60/386457660.db2.gz BEYLPLSRBRPLHK-UHFFFAOYSA-N -1 3 245.278 2.478 20 0 BEADHM CC[C@@H](C)CON=C([O-])Nc1cc(C)on1 ZINC000291791637 386586103 /nfs/dbraw/zinc/58/61/03/386586103.db2.gz OYBYDFTVRGVKCH-SSDOTTSWSA-N -1 3 227.264 2.082 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(C)on1 ZINC000291791637 386586109 /nfs/dbraw/zinc/58/61/09/386586109.db2.gz OYBYDFTVRGVKCH-SSDOTTSWSA-N -1 3 227.264 2.082 20 0 BEADHM CO[N-]C(=O)CCSc1cccc(Cl)c1 ZINC000291386572 386539281 /nfs/dbraw/zinc/53/92/81/386539281.db2.gz CAPVXHWYRVFSNJ-UHFFFAOYSA-N -1 3 245.731 2.500 20 0 BEADHM Cc1csc(C(C)(C)[N-]C(=O)C(F)F)n1 ZINC000279037542 386620070 /nfs/dbraw/zinc/62/00/70/386620070.db2.gz OEXCJVKHZGABQN-UHFFFAOYSA-N -1 3 234.271 2.068 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)/C=C/c1ccco1 ZINC000292392940 386661859 /nfs/dbraw/zinc/66/18/59/386661859.db2.gz ZWNJNBZZCWXJSL-VQCYPWCPSA-N -1 3 223.272 2.387 20 0 BEADHM CCO[N-]C(=O)c1cc(Cl)ncc1Cl ZINC000124906826 386671352 /nfs/dbraw/zinc/67/13/52/386671352.db2.gz PLHCLOWKTFZSQO-UHFFFAOYSA-N -1 3 235.070 2.070 20 0 BEADHM Cc1cc(C)nc(NC([O-])=NOCC2CC2)c1 ZINC000292584494 386692707 /nfs/dbraw/zinc/69/27/07/386692707.db2.gz FZTUAGLCFXLOHS-UHFFFAOYSA-N -1 3 235.287 2.162 20 0 BEADHM Cc1cc(C)nc(NC(=O)[N-]OCC2CC2)c1 ZINC000292584494 386692713 /nfs/dbraw/zinc/69/27/13/386692713.db2.gz FZTUAGLCFXLOHS-UHFFFAOYSA-N -1 3 235.287 2.162 20 0 BEADHM CO[C@@H](C(=O)Nc1ccc(C)cc1[O-])C1CC1 ZINC000279688405 386720774 /nfs/dbraw/zinc/72/07/74/386720774.db2.gz FMGSEZUDTQSZTK-GFCCVEGCSA-N -1 3 235.283 2.064 20 0 BEADHM CC(=O)c1ccc(NC(=O)[N-]OCC2CC2)cc1 ZINC000292751796 386721045 /nfs/dbraw/zinc/72/10/45/386721045.db2.gz RJLDVZPXVZUDSK-UHFFFAOYSA-N -1 3 248.282 2.352 20 0 BEADHM Cc1cc(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)ccc1[O-] ZINC000428071938 386767417 /nfs/dbraw/zinc/76/74/17/386767417.db2.gz GZIJZODYIMJDEZ-PJXYFTJBSA-N -1 3 231.295 2.229 20 0 BEADHM COC[C@@H]([N-]C(=O)C(C)(F)F)c1ccc(C)o1 ZINC000293262272 386793314 /nfs/dbraw/zinc/79/33/14/386793314.db2.gz QBBUMOLNXFHLNI-MRVPVSSYSA-N -1 3 247.241 2.047 20 0 BEADHM Cc1cc(C(=O)[N-]c2cccc3ocnc32)on1 ZINC000357419216 386779332 /nfs/dbraw/zinc/77/93/32/386779332.db2.gz YCTVCJQSSJBBKJ-UHFFFAOYSA-N -1 3 243.222 2.377 20 0 BEADHM C[C@H](C(=O)Nc1ncccc1[O-])C(C)(F)F ZINC000293467554 386822037 /nfs/dbraw/zinc/82/20/37/386822037.db2.gz LVXDZLAOLHRCII-ZCFIWIBFSA-N -1 3 230.214 2.017 20 0 BEADHM Cc1cc(C(=O)[N-]c2csc(C)n2)on1 ZINC000336469355 386834558 /nfs/dbraw/zinc/83/45/58/386834558.db2.gz XITVRUNMZHGAKP-UHFFFAOYSA-N -1 3 223.257 2.000 20 0 BEADHM CCc1ccc(/C=C/C(=O)[N-]OCC2CC2)o1 ZINC000293725547 386869697 /nfs/dbraw/zinc/86/96/97/386869697.db2.gz HCFVGLQMZVNDCF-BQYQJAHWSA-N -1 3 235.283 2.313 20 0 BEADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1csc(=O)[n-]1 ZINC000335756190 386884217 /nfs/dbraw/zinc/88/42/17/386884217.db2.gz IVXWPXIYYWZOPB-JGVFFNPUSA-N -1 3 240.328 2.109 20 0 BEADHM CC[C@@H](CC(=O)Nc1ccncc1[O-])C(C)C ZINC000330782482 386900757 /nfs/dbraw/zinc/90/07/57/386900757.db2.gz HDEIOHPISMTNLG-JTQLQIEISA-N -1 3 236.315 2.220 20 0 BEADHM CC[C@H]1CCN1C(=O)c1ccc(C)cc1[O-] ZINC000293916847 386902618 /nfs/dbraw/zinc/90/26/18/386902618.db2.gz GRGPNMZVDDETMA-JTQLQIEISA-N -1 3 219.284 2.325 20 0 BEADHM Cc1o[n-]c(=NC(=O)c2cccn2C(C)C)c1C ZINC000334879573 386941676 /nfs/dbraw/zinc/94/16/76/386941676.db2.gz BEBJULSXXZVTES-UHFFFAOYSA-N -1 3 247.298 2.348 20 0 BEADHM CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)C1CC1 ZINC000332023495 386942922 /nfs/dbraw/zinc/94/29/22/386942922.db2.gz WAVLOQLDMHRFBN-UHFFFAOYSA-N -1 3 247.294 2.219 20 0 BEADHM Cc1cccc(-c2nc(-c3ncc[nH]3)no2)c1[O-] ZINC000094940855 386970152 /nfs/dbraw/zinc/97/01/52/386970152.db2.gz QFCLDIHGIOWEJB-UHFFFAOYSA-N -1 3 242.238 2.141 20 0 BEADHM CC(=O)c1ccc(C(=O)NCC2CCC2)cc1[O-] ZINC000332454955 386981618 /nfs/dbraw/zinc/98/16/18/386981618.db2.gz HGWPHMIABIYAEJ-UHFFFAOYSA-N -1 3 247.294 2.125 20 0 BEADHM CC1(C)C(C(=O)Nc2ncccc2[O-])C1(C)C ZINC000341887377 386985920 /nfs/dbraw/zinc/98/59/20/386985920.db2.gz KWLNUDDUMCCIDD-UHFFFAOYSA-N -1 3 234.299 2.408 20 0 BEADHM CC[C@@H](C)N(C)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000331312069 387003341 /nfs/dbraw/zinc/00/33/41/387003341.db2.gz CAYXJVYMTSMBKV-SECBINFHSA-N -1 3 249.310 2.465 20 0 BEADHM Cc1cccnc1C[S@](=O)c1cccc([O-])c1 ZINC000334953455 387031310 /nfs/dbraw/zinc/03/13/10/387031310.db2.gz OPKUODZLUCHTTD-KRWDZBQOSA-N -1 3 247.319 2.403 20 0 BEADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)ccn1 ZINC000336253284 387085085 /nfs/dbraw/zinc/08/50/85/387085085.db2.gz ZJAMHGVBQQRMMR-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM CCCN(C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000085828056 387109369 /nfs/dbraw/zinc/10/93/69/387109369.db2.gz YMFNTBWYRUAPPD-QMMMGPOBSA-N -1 3 211.261 2.381 20 0 BEADHM CCC[C@@H]1C[C@H]1C(=O)Nc1ncccc1[O-] ZINC000359846501 387176462 /nfs/dbraw/zinc/17/64/62/387176462.db2.gz KSVSKUPVBXTCHN-RKDXNWHRSA-N -1 3 220.272 2.162 20 0 BEADHM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000193256266 387187296 /nfs/dbraw/zinc/18/72/96/387187296.db2.gz RORSZMPNNXVPKM-NXEZZACHSA-N -1 3 249.310 2.406 20 0 BEADHM CCC[C@@H]1C[C@@H]1C(=O)N=c1[nH][n-]c(CC)c1C ZINC000360197411 387240233 /nfs/dbraw/zinc/24/02/33/387240233.db2.gz FKWPYMBKFICROQ-ZJUUUORDSA-N -1 3 235.331 2.077 20 0 BEADHM CC[C@H]1CCN1C(=O)c1ccc([O-])c(C)c1 ZINC000336481269 387310755 /nfs/dbraw/zinc/31/07/55/387310755.db2.gz GVHYQCQSHHVGFA-NSHDSACASA-N -1 3 219.284 2.325 20 0 BEADHM CC[C@@H](C)OCC(=O)Nc1ccccc1[O-] ZINC000161709155 387259493 /nfs/dbraw/zinc/25/94/93/387259493.db2.gz XDFFMAAJXKKTCF-SECBINFHSA-N -1 3 223.272 2.146 20 0 BEADHM C[C@@H]1CC[C@H](C)N1Cc1cc(C(=O)[O-])co1 ZINC000514730720 387282218 /nfs/dbraw/zinc/28/22/18/387282218.db2.gz UFSYZJOFCNEEIW-DTORHVGOSA-N -1 3 223.272 2.351 20 0 BEADHM C[C@H](C1CCC1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000325401536 387291014 /nfs/dbraw/zinc/29/10/14/387291014.db2.gz LFAOWPGITNUECY-SECBINFHSA-N -1 3 249.310 2.358 20 0 BEADHM C[C@@H](N(C)C(=O)c1csc(=O)[n-]1)C1(C)CC1 ZINC000336471846 387300821 /nfs/dbraw/zinc/30/08/21/387300821.db2.gz SYDFHGLHJSYFIW-SSDOTTSWSA-N -1 3 240.328 2.109 20 0 BEADHM CO[N-]C(=O)/C=C/c1ccc(Cl)s1 ZINC000054721400 387303505 /nfs/dbraw/zinc/30/35/05/387303505.db2.gz QVFBFBZIVGOKHS-HWKANZROSA-N -1 3 217.677 2.092 20 0 BEADHM O=S(=O)([N-][C@@H]1C=CCCC1)c1cccs1 ZINC000336477437 387303744 /nfs/dbraw/zinc/30/37/44/387303744.db2.gz ADGOBWMDXXZPOO-SECBINFHSA-N -1 3 243.353 2.135 20 0 BEADHM CCc1ccc([O-])c(C(=O)NCCCCF)c1 ZINC000360831398 387356380 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235.258 2.280 20 0 BEADHM O=C(c1ccccc1[O-])N1CC[C@H](C2CC2)C1 ZINC000335704504 388454233 /nfs/dbraw/zinc/45/42/33/388454233.db2.gz DLYANNNLKPRRHK-NSHDSACASA-N -1 3 231.295 2.264 20 0 BEADHM CCCN(C(=O)c1csc(=O)[n-]1)C(C)C ZINC000564353086 388544851 /nfs/dbraw/zinc/54/48/51/388544851.db2.gz YOZYQLVDCCIXMW-UHFFFAOYSA-N -1 3 228.317 2.109 20 0 BEADHM CC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1[O-] ZINC000648904356 388488270 /nfs/dbraw/zinc/48/82/70/388488270.db2.gz NLTHBTOEVFXMLV-XVKPBYJWSA-N -1 3 233.267 2.189 20 0 BEADHM COc1ccc(C(=O)NCCC=C(C)C)c([O-])c1 ZINC000397718031 388493803 /nfs/dbraw/zinc/49/38/03/388493803.db2.gz IDUATBNTRMYYSP-UHFFFAOYSA-N -1 3 249.310 2.487 20 0 BEADHM Cc1nsc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000135390917 388494263 /nfs/dbraw/zinc/49/42/63/388494263.db2.gz KWQPQWKRHBUWLX-UHFFFAOYSA-N -1 3 249.295 2.113 20 0 BEADHM O=C([O-])[C@H]1c2ccoc2CCN1[C@H]1C=CCCC1 ZINC000530166125 388617756 /nfs/dbraw/zinc/61/77/56/388617756.db2.gz KHYNLFQCENQPRB-GXFFZTMASA-N -1 3 247.294 2.372 20 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O=C(CC1CC1)N1CCCc2cccc([O-])c21 ZINC000063063974 132389518 /nfs/dbraw/zinc/38/95/18/132389518.db2.gz CZMYZVGILVVANG-UHFFFAOYSA-N -1 3 231.295 2.472 20 0 BEADHM O=C(N[C@H]1CC12CC2)c1cc([O-])ccc1Cl ZINC000335510753 133871211 /nfs/dbraw/zinc/87/12/11/133871211.db2.gz JONFQHKTFSZBIU-JTQLQIEISA-N -1 3 237.686 2.328 20 0 BEADHM Cc1ccc(NC(=O)c2cc(F)c[nH]2)c([O-])c1 ZINC000335927634 134009574 /nfs/dbraw/zinc/00/95/74/134009574.db2.gz WDKSZMFIKICICG-UHFFFAOYSA-N -1 3 234.230 2.420 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2cccnc2C)n1 ZINC000352026152 134043285 /nfs/dbraw/zinc/04/32/85/134043285.db2.gz IZKGFCSRWDANEJ-WAYWQWQTSA-N -1 3 227.267 2.364 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2cncc(F)c2)n1 ZINC000352034667 134044776 /nfs/dbraw/zinc/04/47/76/134044776.db2.gz GBKJDMQWTDIDDS-IHWYPQMZSA-N -1 3 231.230 2.195 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2cncc(F)c2)n1 ZINC000352034668 134045037 /nfs/dbraw/zinc/04/50/37/134045037.db2.gz GBKJDMQWTDIDDS-NSCUHMNNSA-N -1 3 231.230 2.195 20 0 BEADHM 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CN(C(=O)c1cccc([O-])c1)[C@@H]1CC1(C)C ZINC000336208287 134133109 /nfs/dbraw/zinc/13/31/09/134133109.db2.gz WPKULTLWNQYXHN-LLVKDONJSA-N -1 3 219.284 2.263 20 0 BEADHM O=C([O-])CCCN1CCS[C@@H]2CCCC[C@H]21 ZINC000176928856 134294894 /nfs/dbraw/zinc/29/48/94/134294894.db2.gz ACVBEAAVLBVIQX-GHMZBOCLSA-N -1 3 243.372 2.211 20 0 BEADHM C[C@@H](CC(=O)[O-])NCc1cc(Cl)ccc1F ZINC000260046498 135146862 /nfs/dbraw/zinc/14/68/62/135146862.db2.gz MIDHGCVYRNWVAL-ZETCQYMHSA-N -1 3 245.681 2.432 20 0 BEADHM CC[C@@](C)(NCCCC(=O)[O-])c1nccs1 ZINC000261580100 135220907 /nfs/dbraw/zinc/22/09/07/135220907.db2.gz MRKDLSCWXRUYMG-LLVKDONJSA-N -1 3 242.344 2.223 20 0 BEADHM COCC1(NCc2cccc(C(=O)[O-])c2)CCC1 ZINC000261997534 135270641 /nfs/dbraw/zinc/27/06/41/135270641.db2.gz OIMYNGHFBZWGCF-UHFFFAOYSA-N -1 3 249.310 2.044 20 0 BEADHM O=C([O-])CCCN1CCc2ccc(F)cc2C1 ZINC000262766812 135317413 /nfs/dbraw/zinc/31/74/13/135317413.db2.gz LEEGTAQXXRXMEU-UHFFFAOYSA-N -1 3 237.274 2.049 20 0 BEADHM Cc1ccoc1CNC[C@@H](CC(C)C)C(=O)[O-] ZINC000263050067 135328902 /nfs/dbraw/zinc/32/89/02/135328902.db2.gz KOYRVNBNAJPLFR-LLVKDONJSA-N -1 3 239.315 2.425 20 0 BEADHM O=C([O-])C1CN(Cc2ccc(C3CCC3)cc2)C1 ZINC000263526335 135358159 /nfs/dbraw/zinc/35/81/59/135358159.db2.gz UEEPDFLHXSAAIQ-UHFFFAOYSA-N -1 3 245.322 2.471 20 0 BEADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](C)C2)cc1[O-] ZINC000334637572 135802749 /nfs/dbraw/zinc/80/27/49/135802749.db2.gz XBTXMEZVYCDDEB-SECBINFHSA-N -1 3 247.294 2.077 20 0 BEADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCSC1 ZINC000335071391 135885125 /nfs/dbraw/zinc/88/51/25/135885125.db2.gz DZAOUMQHNXFLGW-SSDOTTSWSA-N -1 3 241.287 2.223 20 0 BEADHM Cc1ccc(NC(=O)[C@H]2CCC[C@@H](O)C2)c([O-])c1 ZINC000335340768 136063942 /nfs/dbraw/zinc/06/39/42/136063942.db2.gz VTCXOYYJERWEHU-WDEREUQCSA-N -1 3 249.310 2.190 20 0 BEADHM Cc1ccccc1CNC(=O)c1csc(=O)[n-]1 ZINC000335370151 136082754 /nfs/dbraw/zinc/08/27/54/136082754.db2.gz IXIUBJYFMXXRCI-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2CC23CC3)c([O-])c1 ZINC000335569422 136108810 /nfs/dbraw/zinc/10/88/10/136108810.db2.gz XURFRQZJYRGPPS-VIFPVBQESA-N -1 3 217.268 2.439 20 0 BEADHM CCn1ccc(CNCc2cc([O-])cc(F)c2)n1 ZINC000414485281 397954898 /nfs/dbraw/zinc/95/48/98/397954898.db2.gz RCGABPOVJKKJOA-UHFFFAOYSA-N -1 3 249.289 2.038 20 0 BEADHM CC[C@@H]1CCCCN1Cc1oncc1C(=O)[O-] ZINC000077055658 397997133 /nfs/dbraw/zinc/99/71/33/397997133.db2.gz KZHRBXPJRGHRTD-SECBINFHSA-N -1 3 238.287 2.137 20 0 BEADHM CC[C@@H](C)Oc1ccc2c([O-])coc2c1 ZINC000062805323 1172779620 /nfs/dbraw/zinc/77/96/20/1172779620.db2.gz JTHNUHTXGILEEF-MRVPVSSYSA-N -1 3 206.241 2.439 20 0 BEADHM CC(C)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000082791387 167027782 /nfs/dbraw/zinc/02/77/82/167027782.db2.gz ORSCGFZOKMYCNM-UHFFFAOYSA-N -1 3 219.284 2.151 20 0 BEADHM COC(=O)c1sc([N-]c2ccccn2)nc1C ZINC000171114733 322868828 /nfs/dbraw/zinc/86/88/28/322868828.db2.gz AYFZZEQGVOTCHN-UHFFFAOYSA-N -1 3 249.295 2.377 20 0 BEADHM COC[C@H](C)NCc1cccc([O-])c1Cl ZINC000339330430 174548912 /nfs/dbraw/zinc/54/89/12/174548912.db2.gz BRYCRZIIVIPJMQ-QMMMGPOBSA-N -1 3 229.707 2.170 20 0 BEADHM C[C@H]1CCCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762066 487559200 /nfs/dbraw/zinc/55/92/00/487559200.db2.gz BMRIKOZBDIEFFC-JTQLQIEISA-N -1 3 234.299 2.012 20 0 BEADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC000094762803 487559961 /nfs/dbraw/zinc/55/99/61/487559961.db2.gz RTMNOZDXZBDZLL-LLVKDONJSA-N -1 3 248.326 2.402 20 0 BEADHM CC(C)ON=C([O-])Nc1cccc(C2CC2)n1 ZINC000296753326 167276433 /nfs/dbraw/zinc/27/64/33/167276433.db2.gz MMLQNGGTGZXEEL-UHFFFAOYSA-N -1 3 235.287 2.421 20 0 BEADHM CC(C)O[N-]C(=O)Nc1cccc(C2CC2)n1 ZINC000296753326 167276437 /nfs/dbraw/zinc/27/64/37/167276437.db2.gz MMLQNGGTGZXEEL-UHFFFAOYSA-N -1 3 235.287 2.421 20 0 BEADHM CC(C)O[N-]C(=O)Cc1ccc(F)cc1Cl ZINC000295796316 167277794 /nfs/dbraw/zinc/27/77/94/167277794.db2.gz ZMYPAPPOLNMDIL-UHFFFAOYSA-N -1 3 245.681 2.478 20 0 BEADHM CCCN(CCC)C(=O)/C=C\c1cncc([O-])c1 ZINC000255264963 322920257 /nfs/dbraw/zinc/92/02/57/322920257.db2.gz MKLDYOUBAVTUER-WAYWQWQTSA-N -1 3 248.326 2.449 20 0 BEADHM CCC[C@H](CC)NC(=O)Cc1cncc([O-])c1 ZINC000655390867 410194773 /nfs/dbraw/zinc/19/47/73/410194773.db2.gz STYSZJCGSZAXPL-NSHDSACASA-N -1 3 236.315 2.025 20 0 BEADHM Cc1ccoc1CN1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000650794660 410442717 /nfs/dbraw/zinc/44/27/17/410442717.db2.gz DGMOCBPATRQJTA-NXEZZACHSA-N -1 3 223.272 2.026 20 0 BEADHM CC(C)OC(=O)c1c[n-]nc1-c1ccccn1 ZINC000354988952 167172612 /nfs/dbraw/zinc/17/26/12/167172612.db2.gz SQIVFPINUFOHTR-UHFFFAOYSA-N -1 3 231.255 2.037 20 0 BEADHM CC(C)O[N-]C(=O)Cc1ccccc1Cl ZINC000294237541 167275746 /nfs/dbraw/zinc/27/57/46/167275746.db2.gz VUEPMYWKEMZRQK-UHFFFAOYSA-N -1 3 227.691 2.339 20 0 BEADHM CC(C)O[N-]C(=O)c1c(F)ccc(F)c1F ZINC000295780019 167279065 /nfs/dbraw/zinc/27/90/65/167279065.db2.gz XXXSWRFSNBDTPX-UHFFFAOYSA-N -1 3 233.189 2.174 20 0 BEADHM Cc1ccc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)nc1 ZINC000397493798 410924820 /nfs/dbraw/zinc/92/48/20/410924820.db2.gz NTBPBNGOJDKFAP-NWDGAFQWSA-N -1 3 248.326 2.075 20 0 BEADHM CCCC(C)(C)C(=O)NCc1ncccc1[O-] ZINC000651948868 411159861 /nfs/dbraw/zinc/15/98/61/411159861.db2.gz YQMVSOQAEAYBBO-UHFFFAOYSA-N -1 3 236.315 2.230 20 0 BEADHM C[C@@H](CNCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000656097019 411174818 /nfs/dbraw/zinc/17/48/18/411174818.db2.gz REPPMVXSUJYNMY-ZETCQYMHSA-N -1 3 245.681 2.289 20 0 BEADHM C[C@@H](CNCc1cccc(Cl)c1F)C(=O)[O-] ZINC000656094728 411176326 /nfs/dbraw/zinc/17/63/26/411176326.db2.gz ARGICHOZSAPUEY-ZETCQYMHSA-N -1 3 245.681 2.289 20 0 BEADHM CCN(CC(C)C)C(=O)c1c([O-])cccc1O ZINC000092108135 411181349 /nfs/dbraw/zinc/18/13/49/411181349.db2.gz ZVKFUDFSSYAMOW-UHFFFAOYSA-N -1 3 237.299 2.216 20 0 BEADHM CC1(C)CC([N-]S(=O)(=O)c2cccs2)C1 ZINC000660125847 411244436 /nfs/dbraw/zinc/24/44/36/411244436.db2.gz UKPKXFBQPIYCGI-UHFFFAOYSA-N -1 3 245.369 2.215 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)c1cncnc1 ZINC000571905093 411218312 /nfs/dbraw/zinc/21/83/12/411218312.db2.gz MINWIGWJEWWZLJ-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM Cc1ccc(NC(=O)[C@H](C)OCC2CC2)c([O-])c1 ZINC000049136988 411226414 /nfs/dbraw/zinc/22/64/14/411226414.db2.gz IXGURHHFLSCCHN-JTQLQIEISA-N -1 3 249.310 2.454 20 0 BEADHM C[C@@H](OCC1CC1)C(=O)Nc1ccccc1[O-] ZINC000049137024 411226675 /nfs/dbraw/zinc/22/66/75/411226675.db2.gz ZXDQYKJVAMHYFE-SECBINFHSA-N -1 3 235.283 2.146 20 0 BEADHM O=C(Nc1ccccc1)c1c([O-])cccc1O ZINC000092102949 411268614 /nfs/dbraw/zinc/26/86/14/411268614.db2.gz JJKFPQHDMPCITN-UHFFFAOYSA-N -1 3 229.235 2.350 20 0 BEADHM COc1ccc(C(=O)NC2(C)CC=CC2)c([O-])c1 ZINC000654007060 411310600 /nfs/dbraw/zinc/31/06/00/411310600.db2.gz QYOIWOTVKCMXOO-UHFFFAOYSA-N -1 3 247.294 2.239 20 0 BEADHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc([O-])c1 ZINC000403613432 411351803 /nfs/dbraw/zinc/35/18/03/411351803.db2.gz JLHHJDKVUPBJBE-ZMLRMANQSA-N -1 3 231.295 2.311 20 0 BEADHM CC1(C)C[C@@H]1C(=O)[N-]OCc1ccccc1 ZINC000163628575 167983649 /nfs/dbraw/zinc/98/36/49/167983649.db2.gz RPGJCLMCIXYXDC-LLVKDONJSA-N -1 3 219.284 2.281 20 0 BEADHM CCS(=O)(=O)[N-]c1nccc(C)c1C1CC1 ZINC000656739111 411344768 /nfs/dbraw/zinc/34/47/68/411344768.db2.gz SVKPEPTYAGXZQL-UHFFFAOYSA-N -1 3 240.328 2.029 20 0 BEADHM CC1(C)[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]21 ZINC000174053064 168012243 /nfs/dbraw/zinc/01/22/43/168012243.db2.gz LKNVPOVBHJKNDV-PHIMTYICSA-N -1 3 231.295 2.120 20 0 BEADHM O=S(=O)([N-]CC1=CCCC1)c1cccs1 ZINC000660039090 411530959 /nfs/dbraw/zinc/53/09/59/411530959.db2.gz OQDJGSZLNIQXMA-UHFFFAOYSA-N -1 3 243.353 2.137 20 0 BEADHM CCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000276580155 170101125 /nfs/dbraw/zinc/10/11/25/170101125.db2.gz JIHJRQGHZWNGQL-UHFFFAOYSA-N -1 3 233.189 2.161 20 0 BEADHM CCOC1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC000288221564 170326541 /nfs/dbraw/zinc/32/65/41/170326541.db2.gz JQIOBMPYVNKRLD-UHFFFAOYSA-N -1 3 249.310 2.032 20 0 BEADHM CCOC1CC(N(C)C(=O)c2cccc([O-])c2)C1 ZINC000293430985 170326901 /nfs/dbraw/zinc/32/69/01/170326901.db2.gz OAYJWSPWBIYGGH-UHFFFAOYSA-N -1 3 249.310 2.032 20 0 BEADHM CN(Cc1ccoc1C(=O)[O-])C[C@H]1CC1(C)C ZINC000663318275 411624148 /nfs/dbraw/zinc/62/41/48/411624148.db2.gz UZPVGSCHKPLHLL-SNVBAGLBSA-N -1 3 237.299 2.456 20 0 BEADHM CCCCNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660748082 411620408 /nfs/dbraw/zinc/62/04/08/411620408.db2.gz YIFZFUKDQQRABZ-UHFFFAOYSA-N -1 3 223.320 2.115 20 0 BEADHM C[C@@H]1CCC[C@@H](CN(C)Cc2n[n-]c(=O)o2)C1 ZINC000660843632 411653310 /nfs/dbraw/zinc/65/33/10/411653310.db2.gz BKKPLWCESVVJKC-NXEZZACHSA-N -1 3 239.319 2.033 20 0 BEADHM CN(CCC1=CCCCC1)Cc1n[n-]c(=O)o1 ZINC000660843326 411654605 /nfs/dbraw/zinc/65/46/05/411654605.db2.gz GDYDCVOUSYOYNO-UHFFFAOYSA-N -1 3 237.303 2.098 20 0 BEADHM Oc1[n-]c(SCC2CC=CC2)nc2nncc1-2 ZINC000663944917 411784581 /nfs/dbraw/zinc/78/45/81/411784581.db2.gz MHDJTQUVEAUBBA-UHFFFAOYSA-N -1 3 248.311 2.117 20 0 BEADHM CC[C@@H]1CC[C@@H](C(=O)[N-]c2onc(C)c2C)O1 ZINC000268301924 171032466 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/nfs/dbraw/zinc/30/39/62/171303962.db2.gz CAYXJVYMTSMBKV-VIFPVBQESA-N -1 3 249.310 2.465 20 0 BEADHM CCc1cc(=O)[n-]c(CN(C)C[C@@H]2CC2(C)C)n1 ZINC000662346125 412115170 /nfs/dbraw/zinc/11/51/70/412115170.db2.gz RSXLWMZDGKOENT-JTQLQIEISA-N -1 3 249.358 2.223 20 0 BEADHM O=C([O-])C1(CNCc2ccc(Cl)o2)CCC1 ZINC000665354539 412284737 /nfs/dbraw/zinc/28/47/37/412284737.db2.gz QPLIKSRBLXNLBL-UHFFFAOYSA-N -1 3 243.690 2.278 20 0 BEADHM Cc1ccoc1CNC[C@H](C(=O)[O-])C1CCC1 ZINC000665361412 412286776 /nfs/dbraw/zinc/28/67/76/412286776.db2.gz OYVVPINQIHFFPW-NSHDSACASA-N -1 3 237.299 2.179 20 0 BEADHM C[C@@H](NC[C@H](C(=O)[O-])C1CCC1)c1ccccn1 ZINC000665360925 412287030 /nfs/dbraw/zinc/28/70/30/412287030.db2.gz FWPRNXXTPXXBSG-PWSUYJOCSA-N -1 3 248.326 2.233 20 0 BEADHM CCCn1nccc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000663229042 412395434 /nfs/dbraw/zinc/39/54/34/412395434.db2.gz SHJBWGMAWMYTLF-SNAWJCMRSA-N -1 3 244.298 2.268 20 0 BEADHM CCc1noc(-c2ccc(C)cc2[O-])n1 ZINC000082644442 172072615 /nfs/dbraw/zinc/07/26/15/172072615.db2.gz JWBJVCYAIHYMQB-UHFFFAOYSA-N -1 3 204.229 2.313 20 0 BEADHM COCC(C)(C)C(=O)Nc1ccc([O-])cc1F ZINC000330808040 174068382 /nfs/dbraw/zinc/06/83/82/174068382.db2.gz NEMRAQHNGZZPAM-UHFFFAOYSA-N -1 3 241.262 2.142 20 0 BEADHM COCCCCC(=O)Nc1cc(F)ccc1[O-] ZINC000178327328 174174089 /nfs/dbraw/zinc/17/40/89/174174089.db2.gz VPXJUFWMDUQABO-UHFFFAOYSA-N -1 3 241.262 2.287 20 0 BEADHM COCCC[C@H](C)C(=O)Nc1ccccc1[O-] ZINC000181406726 174263207 /nfs/dbraw/zinc/26/32/07/174263207.db2.gz GAYLYAIADLYLMQ-JTQLQIEISA-N -1 3 237.299 2.393 20 0 BEADHM COc1ccc(C(=O)N2CCC=C(C)C2)c([O-])c1 ZINC000230812877 175056080 /nfs/dbraw/zinc/05/60/80/175056080.db2.gz LKYXTLQIQUHWAR-UHFFFAOYSA-N -1 3 247.294 2.193 20 0 BEADHM COc1ccc(C(=O)N2CC[C@@H](C)[C@H]2C)c([O-])c1 ZINC000177021524 175057040 /nfs/dbraw/zinc/05/70/40/175057040.db2.gz SCNIESYIKZRMEI-NXEZZACHSA-N -1 3 249.310 2.271 20 0 BEADHM COc1ccc(C)cc1NC([O-])=NOC(C)C ZINC000297518727 175077727 /nfs/dbraw/zinc/07/77/27/175077727.db2.gz RWSZBNIDWWJMQR-UHFFFAOYSA-N -1 3 238.287 2.465 20 0 BEADHM COc1ccc(C)cc1NC(=O)[N-]OC(C)C ZINC000297518727 175077728 /nfs/dbraw/zinc/07/77/28/175077728.db2.gz RWSZBNIDWWJMQR-UHFFFAOYSA-N -1 3 238.287 2.465 20 0 BEADHM COc1ccc(NC(=O)[C@@H](C)C2CC2)c([O-])c1 ZINC000135425063 175144473 /nfs/dbraw/zinc/14/44/73/175144473.db2.gz HVOPQUKACYEULE-QMMMGPOBSA-N -1 3 235.283 2.385 20 0 BEADHM COc1ccc(NC([O-])=NOC(C)C)cc1 ZINC000294222737 175144840 /nfs/dbraw/zinc/14/48/40/175144840.db2.gz UZEQJPKJXWJAHI-UHFFFAOYSA-N -1 3 224.260 2.157 20 0 BEADHM COc1ccc(NC(=O)[N-]OC(C)C)cc1 ZINC000294222737 175144842 /nfs/dbraw/zinc/14/48/42/175144842.db2.gz UZEQJPKJXWJAHI-UHFFFAOYSA-N -1 3 224.260 2.157 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@@H]2CC=CCC2)c1 ZINC000080110240 175157724 /nfs/dbraw/zinc/15/77/24/175157724.db2.gz FVXQDHKQTDQYNY-SNVBAGLBSA-N -1 3 247.294 2.239 20 0 BEADHM COc1ccc([O-])c(C(=O)NC2(C(C)C)CC2)c1 ZINC000293897690 175157887 /nfs/dbraw/zinc/15/78/87/175157887.db2.gz JZARKUPLIGRDEW-UHFFFAOYSA-N -1 3 249.310 2.319 20 0 BEADHM COc1ccc([O-])c(C(=O)NCCC(C)C)c1 ZINC000050683524 175157897 /nfs/dbraw/zinc/15/78/97/175157897.db2.gz ROFGZAGJZHRFOD-UHFFFAOYSA-N -1 3 237.299 2.177 20 0 BEADHM COc1cccc(C(=O)N(C)[C@H]2CC2(C)C)c1[O-] ZINC000336259241 175242399 /nfs/dbraw/zinc/24/23/99/175242399.db2.gz VWUNNQZHCQEJLG-NSHDSACASA-N -1 3 249.310 2.271 20 0 BEADHM COc1cccc(C(=O)N(C)[C@@H]2CC2(C)C)c1[O-] ZINC000336259240 175242482 /nfs/dbraw/zinc/24/24/82/175242482.db2.gz VWUNNQZHCQEJLG-LLVKDONJSA-N -1 3 249.310 2.271 20 0 BEADHM COc1cccc(C(=O)N2CCCC[C@@H]2C)c1[O-] ZINC000019837069 175243628 /nfs/dbraw/zinc/24/36/28/175243628.db2.gz UUPYNCRPOBAKBI-JTQLQIEISA-N -1 3 249.310 2.415 20 0 BEADHM COc1cccc(C(=O)N[C@@H](C)C(C)C)c1[O-] ZINC000020304735 175245006 /nfs/dbraw/zinc/24/50/06/175245006.db2.gz RCXBLXRJWIDUSF-VIFPVBQESA-N -1 3 237.299 2.175 20 0 BEADHM CSCCO[N-]C(=O)CCc1ccsc1 ZINC000280023665 175499662 /nfs/dbraw/zinc/49/96/62/175499662.db2.gz NYBOVGJMFLBPQJ-UHFFFAOYSA-N -1 3 245.369 2.092 20 0 BEADHM C[C@@H](c1ccc(F)c(F)c1)N(C)CC(=O)[O-] ZINC000082413880 176014049 /nfs/dbraw/zinc/01/40/49/176014049.db2.gz GMGHGMDPRKEWAC-ZETCQYMHSA-N -1 3 229.226 2.042 20 0 BEADHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000132044036 176233915 /nfs/dbraw/zinc/23/39/15/176233915.db2.gz FXOQDLBFSHPWLD-BDAKNGLRSA-N -1 3 245.369 2.215 20 0 BEADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2c([O-])cccc2O)C1 ZINC000125569564 176360889 /nfs/dbraw/zinc/36/08/89/176360889.db2.gz GXTJCQZZQCTEHZ-NXEZZACHSA-N -1 3 249.310 2.216 20 0 BEADHM C[C@H]1CCCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000186435241 177071711 /nfs/dbraw/zinc/07/17/11/177071711.db2.gz BOQSHIQRDWMMAZ-JTQLQIEISA-N -1 3 249.310 2.360 20 0 BEADHM C[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000037912256 177107765 /nfs/dbraw/zinc/10/77/65/177107765.db2.gz VXERELVHROEIFC-VIFPVBQESA-N -1 3 205.257 2.017 20 0 BEADHM C[C@H]1CCC[C@@H](C(=O)NCc2ncccc2[O-])C1 ZINC000336423086 177113627 /nfs/dbraw/zinc/11/36/27/177113627.db2.gz MBTTZSMMUSMGLU-WDEREUQCSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])C[C@H]1C ZINC000182964803 177153867 /nfs/dbraw/zinc/15/38/67/177153867.db2.gz LLTYMNPJXSKMLA-VHSXEESVSA-N -1 3 249.310 2.216 20 0 BEADHM C[C@H]1CC[C@@H](NC(=O)c2cccc([O-])c2)C1 ZINC000129294648 177192597 /nfs/dbraw/zinc/19/25/97/177192597.db2.gz IAYUVSXMFHTNPN-GXSJLCMTSA-N -1 3 219.284 2.311 20 0 BEADHM C[C@@H]1C[C@H](C)CN(C(=O)c2c([O-])cccc2O)C1 ZINC000125569177 177312306 /nfs/dbraw/zinc/31/23/06/177312306.db2.gz GXTJCQZZQCTEHZ-AOOOYVTPSA-N -1 3 249.310 2.216 20 0 BEADHM C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2ccccc2[O-])O1 ZINC000282079718 177321506 /nfs/dbraw/zinc/32/15/06/177321506.db2.gz NXEXGHSKPNKVRH-SBMIAAHKSA-N -1 3 235.283 2.144 20 0 BEADHM O=C(/C=C/c1ccsc1)[N-]OCC(F)F ZINC000492567933 226020050 /nfs/dbraw/zinc/02/00/50/226020050.db2.gz VKMXFGZVGZQNKN-OWOJBTEDSA-N -1 3 233.239 2.074 20 0 BEADHM CO[N-]C(=O)/C=C/Sc1cc(F)ccc1F ZINC000493136208 226136194 /nfs/dbraw/zinc/13/61/94/226136194.db2.gz CXWMOZWDMQTCOQ-SNAWJCMRSA-N -1 3 245.250 2.248 20 0 BEADHM COc1cccc(/C=C\C(=O)[N-]OC2CCC2)c1 ZINC000493145426 226138745 /nfs/dbraw/zinc/13/87/45/226138745.db2.gz BAVATDKZJQLPEZ-HJWRWDBZSA-N -1 3 247.294 2.309 20 0 BEADHM CN(C(=O)/C=C/c1cncc([O-])c1)C(C)(C)C ZINC000493798256 226254695 /nfs/dbraw/zinc/25/46/95/226254695.db2.gz YFNLBAWXIWJLHE-AATRIKPKSA-N -1 3 234.299 2.057 20 0 BEADHM CC/C=C/CNC(=O)c1cccc(C)c1[O-] ZINC000395149793 262765715 /nfs/dbraw/zinc/76/57/15/262765715.db2.gz WNUBOOSWMPUXPJ-SNAWJCMRSA-N -1 3 219.284 2.397 20 0 BEADHM O=C(CCc1cccnc1)Nc1ccccc1[O-] ZINC000052817800 262921966 /nfs/dbraw/zinc/92/19/66/262921966.db2.gz WHCHBEPRHCGZHH-UHFFFAOYSA-N -1 3 242.278 2.359 20 0 BEADHM COCCCCOc1ccc2c([O-])coc2c1 ZINC000228692761 487710807 /nfs/dbraw/zinc/71/08/07/487710807.db2.gz DEVZSLMAHWJYAS-UHFFFAOYSA-N -1 3 236.267 2.067 20 0 BEADHM CCc1cc(C(=O)N2C[C@@H](C)[C@H]2C)ccc1[O-] ZINC000293942270 487771080 /nfs/dbraw/zinc/77/10/80/487771080.db2.gz FGYVSOVDWVYKNF-NXEZZACHSA-N -1 3 233.311 2.435 20 0 BEADHM CCc1n[nH]cc1C(=O)Nc1ccc([O-])cc1F ZINC000681337687 487780128 /nfs/dbraw/zinc/78/01/28/487780128.db2.gz QCWDLBKZSYSMKP-UHFFFAOYSA-N -1 3 249.245 2.069 20 0 BEADHM Cc1ccc(C(=O)N2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC000672131801 487783171 /nfs/dbraw/zinc/78/31/71/487783171.db2.gz SKMYLHNWPKYINO-PWSUYJOCSA-N -1 3 231.295 2.325 20 0 BEADHM O=C(c1ccccc1[O-])N1CCC[C@@H]2C[C@@H]21 ZINC000672134767 487800484 /nfs/dbraw/zinc/80/04/84/487800484.db2.gz LNKNXIBDLBTEPL-KOLCDFICSA-N -1 3 217.268 2.017 20 0 BEADHM CCn1nccc1C(=O)Nc1cccc([O-])c1F ZINC000681481295 487803952 /nfs/dbraw/zinc/80/39/52/487803952.db2.gz LKZIUWGBEUPMER-UHFFFAOYSA-N -1 3 249.245 2.000 20 0 BEADHM Cc1nc(C(=O)Nc2cc(F)ccc2[O-])co1 ZINC000681554630 487815415 /nfs/dbraw/zinc/81/54/15/487815415.db2.gz VDRQLUNAHFMKDK-UHFFFAOYSA-N -1 3 236.202 2.080 20 0 BEADHM CCc1cc(C)c(C(=O)[N-]c2cnoc2)o1 ZINC000676168855 487817269 /nfs/dbraw/zinc/81/72/69/487817269.db2.gz RAEJKFZYPDEFPE-UHFFFAOYSA-N -1 3 220.228 2.391 20 0 BEADHM CCCN(CC(C)C)C(=O)c1csc(=O)[n-]1 ZINC000471701343 527929100 /nfs/dbraw/zinc/92/91/00/527929100.db2.gz HPMRBZOEYNXXFF-UHFFFAOYSA-N -1 3 242.344 2.357 20 0 BEADHM CCCO[N-]C(=O)C[C@]1(C)CC1(Cl)Cl ZINC000844090044 588166247 /nfs/dbraw/zinc/16/62/47/588166247.db2.gz FGWMJZPVPLSJPL-MRVPVSSYSA-N -1 3 240.130 2.418 20 0 BEADHM Cc1ccc(CN2CCCC[C@H]2CC(=O)[O-])nc1 ZINC000156661924 487844576 /nfs/dbraw/zinc/84/45/76/487844576.db2.gz MEHIACUMRXWZHO-ZDUSSCGKSA-N -1 3 248.326 2.219 20 0 BEADHM O=c1[n-]c(CC2CCCC2)nc2cccnc21 ZINC000416411953 487900232 /nfs/dbraw/zinc/90/02/32/487900232.db2.gz LJAKXHFBEOUAAL-UHFFFAOYSA-N -1 3 229.283 2.463 20 0 BEADHM CO[C@@H]1CC[C@H](C(=O)Nc2ccccc2[O-])C1 ZINC000666920815 487904729 /nfs/dbraw/zinc/90/47/29/487904729.db2.gz DUROYRWANBICDA-VHSXEESVSA-N -1 3 235.283 2.146 20 0 BEADHM CCOC1(C(=O)Nc2ccccc2[O-])CCC1 ZINC000666921061 487905979 /nfs/dbraw/zinc/90/59/79/487905979.db2.gz LMVSOEMUIDEMMB-UHFFFAOYSA-N -1 3 235.283 2.290 20 0 BEADHM CCC[C@@H](C)NC(=O)c1ccc([O-])c(OC)c1 ZINC000682358755 487937242 /nfs/dbraw/zinc/93/72/42/487937242.db2.gz XKUMIXHKVMZGMA-SECBINFHSA-N -1 3 237.299 2.319 20 0 BEADHM CC(C)(C)CNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000667094667 487939602 /nfs/dbraw/zinc/93/96/02/487939602.db2.gz DFTQBYKOVWZUMZ-UHFFFAOYSA-N -1 3 247.298 2.044 20 0 BEADHM CC[C@H]1CCCCN1C(=O)Cc1cncc([O-])c1 ZINC000561108531 322995624 /nfs/dbraw/zinc/99/56/24/322995624.db2.gz ADSDHBZKNYEDGJ-LBPRGKRZSA-N -1 3 248.326 2.121 20 0 BEADHM C[C@@H](CC(=O)Nc1ccccc1[O-])n1ccnc1 ZINC000570832472 323072149 /nfs/dbraw/zinc/07/21/49/323072149.db2.gz CCGNICSVOCUEKN-JTQLQIEISA-N -1 3 245.282 2.179 20 0 BEADHM C[C@@H]1CC[C@@H](C)N1C(=O)/C=C/c1cncc([O-])c1 ZINC000182101703 323081901 /nfs/dbraw/zinc/08/19/01/323081901.db2.gz FFPNFEUKKJMEFU-XIJCSBCJSA-N -1 3 246.310 2.200 20 0 BEADHM CCc1ccc([O-])c(C(=O)NC[C@@H]2C[C@H]2C)c1 ZINC000522754435 323091496 /nfs/dbraw/zinc/09/14/96/323091496.db2.gz IBBHRMAHGLRDPF-KOLCDFICSA-N -1 3 233.311 2.340 20 0 BEADHM CCc1cccc(C(=O)NC2CC(C)C2)c1[O-] ZINC000531464017 323097662 /nfs/dbraw/zinc/09/76/62/323097662.db2.gz SKFRDOFFBDTDSJ-UHFFFAOYSA-N -1 3 233.311 2.483 20 0 BEADHM Cc1ccncc1CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000571571819 323148277 /nfs/dbraw/zinc/14/82/77/323148277.db2.gz XHIJHTPAUKNJAN-NSHDSACASA-N -1 3 248.326 2.075 20 0 BEADHM CC(C)OCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000049094138 323157400 /nfs/dbraw/zinc/15/74/00/323157400.db2.gz BQHJKJQZBIKECD-UHFFFAOYSA-N -1 3 243.690 2.409 20 0 BEADHM C[C@H](CC1CC1)NC(=O)c1ccc(O)cc1[O-] ZINC000112601775 323171084 /nfs/dbraw/zinc/17/10/84/323171084.db2.gz KRFASWXISMXYOG-MRVPVSSYSA-N -1 3 235.283 2.016 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](F)C2)c1 ZINC000563721959 323175802 /nfs/dbraw/zinc/17/58/02/323175802.db2.gz KXULTWVHAOYUES-SNVBAGLBSA-N -1 3 237.274 2.275 20 0 BEADHM Cc1cc(-c2nc(-c3ccc([O-])cc3)no2)no1 ZINC000113711712 323191473 /nfs/dbraw/zinc/19/14/73/323191473.db2.gz ATPXRNJWLHQHEZ-UHFFFAOYSA-N -1 3 243.222 2.406 20 0 BEADHM CO[N-]C(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 ZINC000042004550 323216081 /nfs/dbraw/zinc/21/60/81/323216081.db2.gz LNFHPEWARYHHAM-ROOOYKNVSA-N -1 3 221.256 2.094 20 0 BEADHM CCc1c[nH]c(SCc2ncccc2[O-])n1 ZINC000572100405 323535887 /nfs/dbraw/zinc/53/58/87/323535887.db2.gz ZZYZMZBOSDDCFR-UHFFFAOYSA-N -1 3 235.312 2.365 20 0 BEADHM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)Nc1ncccc1[O-] ZINC000529007328 324231159 /nfs/dbraw/zinc/23/11/59/324231159.db2.gz CWKJNADPERBWNB-SWPVVBRQSA-N -1 3 232.283 2.018 20 0 BEADHM O=C(Nc1cccc(F)c1)c1c([O-])cccc1O ZINC000125626106 324645471 /nfs/dbraw/zinc/64/54/71/324645471.db2.gz MJJJSMYTWBAEPD-UHFFFAOYSA-N -1 3 247.225 2.489 20 0 BEADHM CN(CCCCC(=O)[O-])Cc1cccc(O)c1 ZINC000544057310 325129586 /nfs/dbraw/zinc/12/95/86/325129586.db2.gz FHVQHTSVJXYQRD-UHFFFAOYSA-N -1 3 237.299 2.079 20 0 BEADHM [O-]c1coc2cc(OCCC3CC3)ccc12 ZINC000083926755 487967011 /nfs/dbraw/zinc/96/70/11/487967011.db2.gz LRYDEFNEBYRTMZ-UHFFFAOYSA-N -1 3 218.252 2.441 20 0 BEADHM Cc1cccc(C(=O)NCc2ccoc2)c1[O-] ZINC000132338550 325211786 /nfs/dbraw/zinc/21/17/86/325211786.db2.gz GEZQQQSPLCCODE-UHFFFAOYSA-N -1 3 231.251 2.224 20 0 BEADHM CO[N-]C(=O)/C=C/c1cc2ccccc2o1 ZINC000073865933 325214470 /nfs/dbraw/zinc/21/44/70/325214470.db2.gz UVNFJYLZXYTHSZ-VOTSOKGWSA-N -1 3 217.224 2.124 20 0 BEADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1ncccc1[O-] ZINC000135629941 325420621 /nfs/dbraw/zinc/42/06/21/325420621.db2.gz GFYJBIXPFSGQIT-UFBFGSQYSA-N -1 3 220.272 2.162 20 0 BEADHM Cc1[nH]nc(NC(=O)c2ccc(C)cc2[O-])c1C ZINC000135646399 325421266 /nfs/dbraw/zinc/42/12/66/325421266.db2.gz HCKPJWFIFFBGGA-UHFFFAOYSA-N -1 3 245.282 2.293 20 0 BEADHM C[C@H]1CCCCN1C(=O)/C=C\c1cncc([O-])c1 ZINC000254914187 325776267 /nfs/dbraw/zinc/77/62/67/325776267.db2.gz DKJSUXTYHONXEZ-GZTOBOFZSA-N -1 3 246.310 2.201 20 0 BEADHM C[C@]1(F)CCCN(c2ccncc2C(=O)[O-])C1 ZINC000567983817 326291288 /nfs/dbraw/zinc/29/12/88/326291288.db2.gz TXHRAIDQMLAXKX-LBPRGKRZSA-N -1 3 238.262 2.108 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CC3(CC(F)C3)C2)c1 ZINC000677125429 487977026 /nfs/dbraw/zinc/97/70/26/487977026.db2.gz XBNWLDWLBNGOBY-UHFFFAOYSA-N -1 3 249.285 2.275 20 0 BEADHM Cc1ncsc1CN(CCC(=O)[O-])C(C)C ZINC000084149566 488027159 /nfs/dbraw/zinc/02/71/59/488027159.db2.gz PYMQJICTBYAPCG-UHFFFAOYSA-N -1 3 242.344 2.137 20 0 BEADHM CC[C@H](COc1ccc2c([O-])coc2c1)OC ZINC000396971207 488068460 /nfs/dbraw/zinc/06/84/60/488068460.db2.gz GQUIZBWCYWDSNO-SECBINFHSA-N -1 3 236.267 2.066 20 0 BEADHM Cc1ccnc(CN2CCCC[C@H]2CC(=O)[O-])c1 ZINC000257654033 488077284 /nfs/dbraw/zinc/07/72/84/488077284.db2.gz GXBDJSDPJFIZMQ-ZDUSSCGKSA-N -1 3 248.326 2.219 20 0 BEADHM CSc1ccncc1[N-]C(=O)c1ncoc1C ZINC000674257980 487539477 /nfs/dbraw/zinc/53/94/77/487539477.db2.gz RNYYZCBNVWXXRV-UHFFFAOYSA-N -1 3 249.295 2.352 20 0 BEADHM O=C([O-])c1cccc(OCCN2CC=CCC2)c1 ZINC000382549328 487544925 /nfs/dbraw/zinc/54/49/25/487544925.db2.gz RUWVMQISOIBDPT-UHFFFAOYSA-N -1 3 247.294 2.026 20 0 BEADHM CC1(C)[C@@H]2CN(Cc3ccoc3C(=O)[O-])C[C@@H]21 ZINC000380409713 487473576 /nfs/dbraw/zinc/47/35/76/487473576.db2.gz AAVMTFDAYMLWOU-AOOOYVTPSA-N -1 3 235.283 2.066 20 0 BEADHM O=C(CCn1cccc1)Nc1ccccc1[O-] ZINC000673921848 487480648 /nfs/dbraw/zinc/48/06/48/487480648.db2.gz KWHMLLUPZJOWDU-UHFFFAOYSA-N -1 3 230.267 2.223 20 0 BEADHM O=C([N-]c1ncc(Cl)s1)c1ccon1 ZINC000673940611 487486967 /nfs/dbraw/zinc/48/69/67/487486967.db2.gz WHYLRXXPGJZNTA-UHFFFAOYSA-N -1 3 229.648 2.037 20 0 BEADHM CN(Cc1ccoc1)Cc1ncccc1[O-] ZINC000685411308 487517455 /nfs/dbraw/zinc/51/74/55/487517455.db2.gz GFTFJIOYHBGZQR-UHFFFAOYSA-N -1 3 218.256 2.012 20 0 BEADHM [O-]c1cc(F)cc(CN2CC3(CC3)C2)c1 ZINC000335382691 487621504 /nfs/dbraw/zinc/62/15/04/487621504.db2.gz ARSGLVDJNAAUTO-UHFFFAOYSA-N -1 3 207.248 2.127 20 0 BEADHM CCCCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000073973359 487985274 /nfs/dbraw/zinc/98/52/74/487985274.db2.gz FKDNYNXKYNFTAL-UHFFFAOYSA-N -1 3 234.259 2.193 20 0 BEADHM CCCCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000073973359 487985278 /nfs/dbraw/zinc/98/52/78/487985278.db2.gz FKDNYNXKYNFTAL-UHFFFAOYSA-N -1 3 234.259 2.193 20 0 BEADHM CCCCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973359 487985282 /nfs/dbraw/zinc/98/52/82/487985282.db2.gz FKDNYNXKYNFTAL-UHFFFAOYSA-N -1 3 234.259 2.193 20 0 BEADHM CC1(C)C[C@@H]1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000123668163 488074610 /nfs/dbraw/zinc/07/46/10/488074610.db2.gz YKJWCOJJXAJOMY-SSDOTTSWSA-N -1 3 246.270 2.049 20 0 BEADHM CC1(C)C[C@@H]1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000123668163 488074613 /nfs/dbraw/zinc/07/46/13/488074613.db2.gz YKJWCOJJXAJOMY-SSDOTTSWSA-N -1 3 246.270 2.049 20 0 BEADHM CC1(C)C[C@@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000123668163 488074615 /nfs/dbraw/zinc/07/46/15/488074615.db2.gz YKJWCOJJXAJOMY-SSDOTTSWSA-N -1 3 246.270 2.049 20 0 BEADHM Cc1cc(C(=O)Nc2ccccc2[O-])c(C)nn1 ZINC000678060304 488189663 /nfs/dbraw/zinc/18/96/63/488189663.db2.gz AYOFKXWSLMNHHL-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM CC(C)(O)CCC(=O)Nc1ccc([O-])cc1F ZINC000683866493 488234194 /nfs/dbraw/zinc/23/41/94/488234194.db2.gz AFORSZJFGXGPHT-UHFFFAOYSA-N -1 3 241.262 2.021 20 0 BEADHM O=C(CCC(F)F)Nc1ccccc1[O-] ZINC000684403284 488306282 /nfs/dbraw/zinc/30/62/82/488306282.db2.gz NICBZCUEIPZXNG-UHFFFAOYSA-N -1 3 215.199 2.376 20 0 BEADHM Cc1cc(C(=O)N2CC(C(F)F)C2)ccc1[O-] ZINC000679410705 488351534 /nfs/dbraw/zinc/35/15/34/488351534.db2.gz ZOBNCUSSNCHIER-UHFFFAOYSA-N -1 3 241.237 2.038 20 0 BEADHM CC(C)C1CN(C(=O)c2cccc([O-])c2)C1 ZINC000679642795 488361852 /nfs/dbraw/zinc/36/18/52/488361852.db2.gz CSNXJUYUGSSVSF-UHFFFAOYSA-N -1 3 219.284 2.120 20 0 BEADHM Cc1ccc(CN2CCC[C@@](C)(C(=O)[O-])C2)cn1 ZINC000228887048 490306243 /nfs/dbraw/zinc/30/62/43/490306243.db2.gz HRLLDEKEINHTHC-CQSZACIVSA-N -1 3 248.326 2.077 20 0 BEADHM CCc1cc(=O)[n-]c(CN(C)CC2CCCC2)n1 ZINC000119289339 490451150 /nfs/dbraw/zinc/45/11/50/490451150.db2.gz OYCPHKDUYYOGHW-UHFFFAOYSA-N -1 3 249.358 2.367 20 0 BEADHM COc1ccc(C(=O)N[C@@H](C)C2CCC2)c([O-])c1 ZINC000125875567 490467711 /nfs/dbraw/zinc/46/77/11/490467711.db2.gz WGXJSMUGBMAIBM-VIFPVBQESA-N -1 3 249.310 2.319 20 0 BEADHM Cc1ccc(CN(CC2(C(=O)[O-])CC2)C2CC2)o1 ZINC000652387776 491083764 /nfs/dbraw/zinc/08/37/64/491083764.db2.gz UJMDPRILSDNADQ-UHFFFAOYSA-N -1 3 249.310 2.417 20 0 BEADHM Cc1ccc(C(=O)N2CC(C(F)F)C2)c([O-])c1 ZINC000676202472 491088208 /nfs/dbraw/zinc/08/82/08/491088208.db2.gz DOAYBPNLAFJHBY-UHFFFAOYSA-N -1 3 241.237 2.038 20 0 BEADHM O=C(c1cccc([O-])c1)N1CCC(F)(F)CC1 ZINC000404812430 491128196 /nfs/dbraw/zinc/12/81/96/491128196.db2.gz NXKUDSVXRAIRSG-UHFFFAOYSA-N -1 3 241.237 2.264 20 0 BEADHM C/C(=C/c1ccco1)C(=O)[N-]OC1CCC1 ZINC000848163115 582749537 /nfs/dbraw/zinc/74/95/37/582749537.db2.gz WAOYPKVKMDIJMT-HJWRWDBZSA-N -1 3 221.256 2.283 20 0 BEADHM CC(C)C1(NC(=O)/C=C/c2cncc([O-])c2)CC1 ZINC000493449094 527617603 /nfs/dbraw/zinc/61/76/03/527617603.db2.gz FYPCZJNJWGWFRN-ONEGZZNKSA-N -1 3 246.310 2.105 20 0 BEADHM CCC1(NC(=O)/C=C\c2cncc([O-])c2)CCC1 ZINC000492522753 527772903 /nfs/dbraw/zinc/77/29/03/527772903.db2.gz UXJWYZWANMXQRL-PLNGDYQASA-N -1 3 246.310 2.249 20 0 BEADHM CC(C)O[N-]C(=O)/C=C\c1ccc(Cl)nc1 ZINC000493335472 528043755 /nfs/dbraw/zinc/04/37/55/528043755.db2.gz LMGVVAKTAXIQOH-XQRVVYSFSA-N -1 3 240.690 2.204 20 0 BEADHM CCO/C=C/C(=O)Nc1cc(F)ccc1[O-] ZINC000492894351 528498360 /nfs/dbraw/zinc/49/83/60/528498360.db2.gz NOZOXYBNEQOMOX-AATRIKPKSA-N -1 3 225.219 2.020 20 0 BEADHM CCCO[N-]C(=O)/C=C/c1ccc(C)o1 ZINC000493694341 528599966 /nfs/dbraw/zinc/59/99/66/528599966.db2.gz OKNXALYFGZNLPB-VOTSOKGWSA-N -1 3 209.245 2.059 20 0 BEADHM CCC[C@@H](C)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000492515978 528883496 /nfs/dbraw/zinc/88/34/96/528883496.db2.gz AARKINHPRBASRX-XUIVZRPNSA-N -1 3 248.326 2.447 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)/C=C\c1cccnc1 ZINC000492916760 529328475 /nfs/dbraw/zinc/32/84/75/529328475.db2.gz BVDWLIBGLNWFRY-JMEBYUIHSA-N -1 3 234.299 2.189 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)/C=C/c1ccc(C)cn1 ZINC000492842486 529328510 /nfs/dbraw/zinc/32/85/10/529328510.db2.gz RWBLZJOKMODTFU-WSKFYRRCSA-N -1 3 248.326 2.497 20 0 BEADHM CC(F)(F)C(=O)N1CCCc2cccc([O-])c21 ZINC000294632551 535182913 /nfs/dbraw/zinc/18/29/13/535182913.db2.gz QSODCSXVVRRYTJ-UHFFFAOYSA-N -1 3 241.237 2.327 20 0 BEADHM CC[C@@H](C(=O)[O-])N1CCc2ccc(F)cc2C1 ZINC000263571858 535438461 /nfs/dbraw/zinc/43/84/61/535438461.db2.gz JZSZZUNSIXNHEH-LBPRGKRZSA-N -1 3 237.274 2.047 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000184015897 535725271 /nfs/dbraw/zinc/72/52/71/535725271.db2.gz SFBSXVZPNNASRW-UHFFFAOYSA-N -1 3 246.270 2.150 20 0 BEADHM CCOC([O-])=NOC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000853727008 588759796 /nfs/dbraw/zinc/75/97/96/588759796.db2.gz INVARBVFVABXMP-KXUCPTDWSA-N -1 3 213.277 2.100 20 0 BEADHM CCOC(=O)[N-]OC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000853727008 588759797 /nfs/dbraw/zinc/75/97/97/588759797.db2.gz INVARBVFVABXMP-KXUCPTDWSA-N -1 3 213.277 2.100 20 0 BEADHM Cc1csc(NC([O-])=NOCC2CCC2)n1 ZINC000853871556 588767008 /nfs/dbraw/zinc/76/70/08/588767008.db2.gz ZZEHVHOSFVLGKV-UHFFFAOYSA-N -1 3 241.316 2.305 20 0 BEADHM Cc1csc(NC(=O)[N-]OCC2CCC2)n1 ZINC000853871556 588767009 /nfs/dbraw/zinc/76/70/09/588767009.db2.gz ZZEHVHOSFVLGKV-UHFFFAOYSA-N -1 3 241.316 2.305 20 0 BEADHM CC(C)c1noc([N-][C@H]2COC3(CCC3)C2)n1 ZINC000853826789 588764980 /nfs/dbraw/zinc/76/49/80/588764980.db2.gz AULUWYPCCIYFTN-SECBINFHSA-N -1 3 237.303 2.317 20 0 BEADHM O=C(OC[C@@H]1C[C@H]2C[C@H]2C1)c1ccc([O-])cc1O ZINC000853883905 588767278 /nfs/dbraw/zinc/76/72/78/588767278.db2.gz QWASOIROAAZENJ-ILWJIGKKSA-N -1 3 248.278 2.301 20 0 BEADHM CC1(C)CC[C@@H]1C(=O)[N-]OC/C=C\Cl ZINC000854535163 588791071 /nfs/dbraw/zinc/79/10/71/588791071.db2.gz RNUQAZRCVZMSJA-WAXIIBMWSA-N -1 3 217.696 2.223 20 0 BEADHM O=C(CCCc1cccnc1)[N-]OCCC1CC1 ZINC000854640648 588799034 /nfs/dbraw/zinc/79/90/34/588799034.db2.gz UVIBDUYEWWXUBH-UHFFFAOYSA-N -1 3 248.326 2.252 20 0 BEADHM C/C(=C/C(=O)[N-]OC1CCC1)c1ccco1 ZINC000854752733 588805374 /nfs/dbraw/zinc/80/53/74/588805374.db2.gz LQGFKQWUJRCIEK-HJWRWDBZSA-N -1 3 221.256 2.283 20 0 BEADHM CO[C@@H](C)CC(=O)Nc1ccc([O-])cc1Cl ZINC000855139122 588823157 /nfs/dbraw/zinc/82/31/57/588823157.db2.gz NVTKULIOFFHMRO-ZETCQYMHSA-N -1 3 243.690 2.409 20 0 BEADHM CCCO[N-]C(=O)CC(O)(CCC)CCC ZINC000844086640 582569496 /nfs/dbraw/zinc/56/94/96/582569496.db2.gz WTFMNFASDMOUPE-UHFFFAOYSA-N -1 3 231.336 2.166 20 0 BEADHM Cc1nc(N(C)Cc2ccsc2)cc(=O)[n-]1 ZINC000891578995 582699392 /nfs/dbraw/zinc/69/93/92/582699392.db2.gz SHUZSLPDZVKXEM-UHFFFAOYSA-N -1 3 235.312 2.189 20 0 BEADHM CN(Cc1cc([O-])cc(Cl)c1)[C@@H]1CCOC1 ZINC000891935085 582741076 /nfs/dbraw/zinc/74/10/76/582741076.db2.gz NMMBAQBRVORGAF-LLVKDONJSA-N -1 3 241.718 2.266 20 0 BEADHM Cc1occc1CNc1cc(=O)[n-]c(C)n1 ZINC000891965359 582749169 /nfs/dbraw/zinc/74/91/69/582749169.db2.gz OZFMIMAFIGCUGM-UHFFFAOYSA-N -1 3 219.244 2.004 20 0 BEADHM CC[C@H](NC(=O)/C=C\c1cncc([O-])c1)C1CC1 ZINC000855859175 588851745 /nfs/dbraw/zinc/85/17/45/588851745.db2.gz YCILRIBYAKCIHM-RJNRQISESA-N -1 3 246.310 2.105 20 0 BEADHM Cc1cccc2c1CCN(c1cc(=O)[n-]cn1)C2 ZINC000892335059 582859132 /nfs/dbraw/zinc/85/91/32/582859132.db2.gz XBSHKSMIRBFROR-UHFFFAOYSA-N -1 3 241.294 2.053 20 0 BEADHM O=C(OCCC1(O)CCC1)c1cc2occc2[n-]1 ZINC000840522195 582953058 /nfs/dbraw/zinc/95/30/58/582953058.db2.gz CSHLWIXEDBZWHV-UHFFFAOYSA-N -1 3 249.266 2.223 20 0 BEADHM COc1ccc(NC(=O)[C@H]2CC2(C)C)c([O-])c1 ZINC000135409245 582967031 /nfs/dbraw/zinc/96/70/31/582967031.db2.gz JLQWGGZXLTVWMC-SECBINFHSA-N -1 3 235.283 2.385 20 0 BEADHM CC(C)(C)C(F)(F)C[N-]C(=O)C(F)F ZINC000856281345 588866779 /nfs/dbraw/zinc/86/67/79/588866779.db2.gz YWMUVGSWEZOTPD-UHFFFAOYSA-N -1 3 215.190 2.049 20 0 BEADHM CS[C@@H](C)CCC(=O)[N-]OCC1CCC1 ZINC000856350331 588870049 /nfs/dbraw/zinc/87/00/49/588870049.db2.gz UQYRQOAHAJIHCF-VIFPVBQESA-N -1 3 231.361 2.366 20 0 BEADHM Cc1ccsc1CCNc1cc(=O)[n-]cn1 ZINC000893094673 583048489 /nfs/dbraw/zinc/04/84/89/583048489.db2.gz OBTFLUYYJNXUDQ-UHFFFAOYSA-N -1 3 235.312 2.207 20 0 BEADHM O=C(Cc1ccc(F)cc1)[N-]OCC1CCC1 ZINC000856342962 588868051 /nfs/dbraw/zinc/86/80/51/588868051.db2.gz SJMUORYOHHRSGD-UHFFFAOYSA-N -1 3 237.274 2.216 20 0 BEADHM O=C(C[C@H]1C=CCC1)[N-]OCC1CCC1 ZINC000856343590 588868486 /nfs/dbraw/zinc/86/84/86/588868486.db2.gz QUZGCMXPIKCASV-JTQLQIEISA-N -1 3 209.289 2.191 20 0 BEADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)[N-]OCC1CCC1 ZINC000856343958 588868491 /nfs/dbraw/zinc/86/84/91/588868491.db2.gz GCTMONLOIQBSOF-WOPDTQHZSA-N -1 3 223.316 2.271 20 0 BEADHM O=C([N-]OCC1CCC1)[C@@H]1C[C@H]1c1cccnc1 ZINC000856344348 588868504 /nfs/dbraw/zinc/86/85/04/588868504.db2.gz MUZIHDAWLQCNSL-QWHCGFSZSA-N -1 3 246.310 2.033 20 0 BEADHM C[C@@H](CC(=O)[N-]OCC1CCC1)C1CC1 ZINC000856347094 588868875 /nfs/dbraw/zinc/86/88/75/588868875.db2.gz XZLLNKMSRGRRAI-VIFPVBQESA-N -1 3 211.305 2.271 20 0 BEADHM C[C@@H](CC(=O)[N-]OCC1CCC1)c1ccncc1 ZINC000856347854 588868972 /nfs/dbraw/zinc/86/89/72/588868972.db2.gz FHAUVJAHVDJQOA-NSHDSACASA-N -1 3 248.326 2.423 20 0 BEADHM C[C@H](CC(=O)[N-]OCC1CCC1)c1ccncc1 ZINC000856347853 588869003 /nfs/dbraw/zinc/86/90/03/588869003.db2.gz FHAUVJAHVDJQOA-LLVKDONJSA-N -1 3 248.326 2.423 20 0 BEADHM O=C(CCc1ccoc1)[N-]OCC1CCC1 ZINC000856348128 588869109 /nfs/dbraw/zinc/86/91/09/588869109.db2.gz QHEIRTGHULORRR-UHFFFAOYSA-N -1 3 223.272 2.060 20 0 BEADHM C[C@@H](CC(=O)[N-]OCC1CCC1)c1cccnc1 ZINC000856349081 588869245 /nfs/dbraw/zinc/86/92/45/588869245.db2.gz FDUYTBULVCZNFY-NSHDSACASA-N -1 3 248.326 2.423 20 0 BEADHM CCc1ccc(C(=O)NOCC2CCC2)c([O-])c1 ZINC000856350810 588869767 /nfs/dbraw/zinc/86/97/67/588869767.db2.gz QZBOITPKDRIRDG-UHFFFAOYSA-N -1 3 249.310 2.416 20 0 BEADHM Cc1cccnc1/C=C/C(=O)[N-]OCC1CCC1 ZINC000856349510 583118102 /nfs/dbraw/zinc/11/81/02/583118102.db2.gz GZRVREMUYFGMCC-BQYQJAHWSA-N -1 3 246.310 2.251 20 0 BEADHM Cc1ccc2c(c1)CCN(c1cc(=O)[n-]cn1)C2 ZINC000893444972 583145109 /nfs/dbraw/zinc/14/51/09/583145109.db2.gz VCDUXNOKLSYBOA-UHFFFAOYSA-N -1 3 241.294 2.053 20 0 BEADHM CN(Cc1cc([O-])cc(Cl)c1)C1CC(O)C1 ZINC000893576854 583166478 /nfs/dbraw/zinc/16/64/78/583166478.db2.gz COUGRYAYMGBGKR-UHFFFAOYSA-N -1 3 241.718 2.001 20 0 BEADHM Cc1nc(N2CC[C@H](C3CCC3)C2)cc(=O)[n-]1 ZINC000894225610 583383736 /nfs/dbraw/zinc/38/37/36/583383736.db2.gz DWUVKZSYNQVQMU-NSHDSACASA-N -1 3 233.315 2.117 20 0 BEADHM CC[C@H](COC(=O)c1cc([O-])ccc1F)OC ZINC000842104127 583462014 /nfs/dbraw/zinc/46/20/14/583462014.db2.gz ZEBLOEPPLFFCPO-SECBINFHSA-N -1 3 242.246 2.113 20 0 BEADHM Cc1nc(NC[C@H]2C(C)(C)C2(F)F)cc(=O)[n-]1 ZINC000894592876 583492304 /nfs/dbraw/zinc/49/23/04/583492304.db2.gz ONCIRDRDQQWBLY-ZETCQYMHSA-N -1 3 243.257 2.194 20 0 BEADHM COC[C@H]1CCN1Cc1cc([O-])cc(Cl)c1 ZINC000894613052 583494428 /nfs/dbraw/zinc/49/44/28/583494428.db2.gz QUQFOBYUTZVXLC-LLVKDONJSA-N -1 3 241.718 2.266 20 0 BEADHM [O-]c1ccc(-c2noc([C@H](O)C3CCC3)n2)cc1 ZINC000896165611 583776555 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247.254 2.102 20 0 BEADHM Cc1nocc1C(=O)[N-]c1noc2c1CCCC2 ZINC000900787263 584351378 /nfs/dbraw/zinc/35/13/78/584351378.db2.gz UMHUVLAUTOZBCV-UHFFFAOYSA-N -1 3 247.254 2.102 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CC(C(C)C)C1 ZINC000901187291 584393350 /nfs/dbraw/zinc/39/33/50/584393350.db2.gz BAUANCOUQMMMHI-UHFFFAOYSA-N -1 3 249.310 2.129 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CC[C@@H]1C(C)C ZINC000901330857 584424808 /nfs/dbraw/zinc/42/48/08/584424808.db2.gz NRTXLYXMLKQNGS-SNVBAGLBSA-N -1 3 249.310 2.271 20 0 BEADHM CCc1ccc(CN[C@H](C)[C@@H](C)C(=O)[O-])o1 ZINC000901445272 584446946 /nfs/dbraw/zinc/44/69/46/584446946.db2.gz NOYONCXYIOGWRF-RKDXNWHRSA-N -1 3 225.288 2.041 20 0 BEADHM C[C@H]1C[C@H]1c1ccc(CNC2(CC(=O)[O-])CC2)o1 ZINC000901480437 584449467 /nfs/dbraw/zinc/44/94/67/584449467.db2.gz OMEGVUKINICMQX-GXSJLCMTSA-N -1 3 249.310 2.500 20 0 BEADHM O=C([O-])CC1(NCc2ccc(Cl)s2)CC1 ZINC000901479872 584449502 /nfs/dbraw/zinc/44/95/02/584449502.db2.gz JLJKMMVEWFUQFP-UHFFFAOYSA-N -1 3 245.731 2.498 20 0 BEADHM CSC(C)(C)CCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000901520316 584457908 /nfs/dbraw/zinc/45/79/08/584457908.db2.gz WAHXWVVLOFOGOP-NSHDSACASA-N -1 3 249.351 2.017 20 0 BEADHM COC(=O)c1cnc(SCC2CC(C)C2)[n-]1 ZINC000901536417 584460040 /nfs/dbraw/zinc/46/00/40/584460040.db2.gz VBDKVVYZZQDKFY-UHFFFAOYSA-N -1 3 240.328 2.335 20 0 BEADHM O=C([O-])CC[C@@H]1CCCN(CC2(F)CC2)C1 ZINC000901553174 584465309 /nfs/dbraw/zinc/46/53/09/584465309.db2.gz TVEDQZRHNYETOZ-JTQLQIEISA-N -1 3 229.295 2.065 20 0 BEADHM CCN(CCC(=O)[O-])Cc1ccc(SC)o1 ZINC000901602972 584468175 /nfs/dbraw/zinc/46/81/75/584468175.db2.gz ZQOBXRVCHWUVIY-UHFFFAOYSA-N -1 3 243.328 2.298 20 0 BEADHM C[C@H](NCc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000901754880 584490144 /nfs/dbraw/zinc/49/01/44/584490144.db2.gz JBUTTWPUWZOXSS-QMMMGPOBSA-N -1 3 237.274 2.412 20 0 BEADHM Cc1sccc1CN[C@H](CC(F)F)C(=O)[O-] ZINC000901814505 584499585 /nfs/dbraw/zinc/49/95/85/584499585.db2.gz UUOGUCVJTNECLG-MRVPVSSYSA-N -1 3 249.282 2.255 20 0 BEADHM CC[C@@](C)(O)c1nc(-c2ccc([O-])cc2)no1 ZINC000901906045 584505222 /nfs/dbraw/zinc/50/52/22/584505222.db2.gz GQGSFPHNCLXKFQ-GFCCVEGCSA-N -1 3 234.255 2.060 20 0 BEADHM CC[C@](C)(O)c1nc(-c2ccc([O-])cc2)no1 ZINC000901906046 584505338 /nfs/dbraw/zinc/50/53/38/584505338.db2.gz GQGSFPHNCLXKFQ-LBPRGKRZSA-N -1 3 234.255 2.060 20 0 BEADHM Cc1ccoc1CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000901993467 584511220 /nfs/dbraw/zinc/51/12/20/584511220.db2.gz KIVTYYQGMKWNOB-SNVBAGLBSA-N -1 3 237.299 2.273 20 0 BEADHM CC[C@@H](C)NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902048352 584516817 /nfs/dbraw/zinc/51/68/17/584516817.db2.gz OCBBRFOZXGLGLW-ATJFRQLMSA-N -1 3 223.272 2.266 20 0 BEADHM CCCN(C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902098816 584525367 /nfs/dbraw/zinc/52/53/67/584525367.db2.gz ROIRJPKQXKLWFT-VOTSOKGWSA-N -1 3 223.272 2.219 20 0 BEADHM C[C@@H]1C[C@@H]1CNCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902145317 584530477 /nfs/dbraw/zinc/53/04/77/584530477.db2.gz RGRKUBNIQRHRJZ-NUNSBDKSSA-N -1 3 235.283 2.123 20 0 BEADHM C[C@@H]1CCN(Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000902240205 584543630 /nfs/dbraw/zinc/54/36/30/584543630.db2.gz OAYCYJRIPIRAGQ-ORAHPGNNSA-N -1 3 235.283 2.219 20 0 BEADHM C[C@H]1CCN(Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000902240608 584543834 /nfs/dbraw/zinc/54/38/34/584543834.db2.gz OAYCYJRIPIRAGQ-YEZKRMTDSA-N -1 3 235.283 2.219 20 0 BEADHM O=C([O-])/C=C/c1ccc(CNC[C@H]2C=CCC2)o1 ZINC000902273047 584550089 /nfs/dbraw/zinc/55/00/89/584550089.db2.gz GTPFHDCNPXWOJJ-AEZGRPFRSA-N -1 3 247.294 2.433 20 0 BEADHM C[C@H]1CC(C)(C)CN1Cc1cccc(C(=O)[O-])n1 ZINC000902532636 584633412 /nfs/dbraw/zinc/63/34/12/584633412.db2.gz QKUDUZNREKIUGG-JTQLQIEISA-N -1 3 248.326 2.400 20 0 BEADHM O=C([O-])c1ccc(CN2CC[C@@H]2C2CC2)s1 ZINC000903690237 584789357 /nfs/dbraw/zinc/78/93/57/584789357.db2.gz URIFYDBLDANLAE-SNVBAGLBSA-N -1 3 237.324 2.431 20 0 BEADHM Cc1cccc(C[N@@H+]2CCC[C@]2(C)C(=O)[O-])c1[O-] ZINC000903697528 584790158 /nfs/dbraw/zinc/79/01/58/584790158.db2.gz JSMLMFYEMDPTCT-CQSZACIVSA-N -1 3 249.310 2.140 20 0 BEADHM Cc1cccc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])c1[O-] ZINC000903697528 584790159 /nfs/dbraw/zinc/79/01/59/584790159.db2.gz JSMLMFYEMDPTCT-CQSZACIVSA-N -1 3 249.310 2.140 20 0 BEADHM CC[C@@H](CNCc1c(F)cccc1F)C(=O)[O-] ZINC000903704948 584791052 /nfs/dbraw/zinc/79/10/52/584791052.db2.gz OVYPXUUCCCPOBC-QMMMGPOBSA-N -1 3 243.253 2.165 20 0 BEADHM CSCCO[N-]C(=O)/C=C(\C)c1ccco1 ZINC000834826049 584915020 /nfs/dbraw/zinc/91/50/20/584915020.db2.gz MHOKOVBVUIXYKR-CMDGGOBGSA-N -1 3 241.312 2.094 20 0 BEADHM CCCCCOC(=O)c1cncc([O-])c1 ZINC000732391822 584936530 /nfs/dbraw/zinc/93/65/30/584936530.db2.gz NMXQVFAMRJIBMX-UHFFFAOYSA-N -1 3 209.245 2.134 20 0 BEADHM C1=C[C@H](Oc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000735401007 584976524 /nfs/dbraw/zinc/97/65/24/584976524.db2.gz VISIWKAICOXYJS-NSHDSACASA-N -1 3 242.282 2.354 20 0 BEADHM C1=C[C@H](Oc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000735401007 584976525 /nfs/dbraw/zinc/97/65/25/584976525.db2.gz VISIWKAICOXYJS-NSHDSACASA-N -1 3 242.282 2.354 20 0 BEADHM C[Si](C)(C)COC(=O)c1ccc([O-])cc1 ZINC000735962735 584984968 /nfs/dbraw/zinc/98/49/68/584984968.db2.gz QHCRWDFBOYKOEE-UHFFFAOYSA-N -1 3 224.332 2.426 20 0 BEADHM CC1(C)C[C@H]1CNc1ccc(-c2nnn[n-]2)cc1 ZINC000736209645 584992081 /nfs/dbraw/zinc/99/20/81/584992081.db2.gz CJCSBNLKKODZGK-JTQLQIEISA-N -1 3 243.314 2.325 20 0 BEADHM CC1(C)C[C@H]1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736209645 584992082 /nfs/dbraw/zinc/99/20/82/584992082.db2.gz CJCSBNLKKODZGK-JTQLQIEISA-N -1 3 243.314 2.325 20 0 BEADHM C[C@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736265111 584995379 /nfs/dbraw/zinc/99/53/79/584995379.db2.gz YZCWWOIYKGMSTR-CABZTGNLSA-N -1 3 243.314 2.467 20 0 BEADHM C[C@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736265111 584995380 /nfs/dbraw/zinc/99/53/80/584995380.db2.gz YZCWWOIYKGMSTR-CABZTGNLSA-N -1 3 243.314 2.467 20 0 BEADHM CCC[C@@H](NCC(=O)[O-])c1ccc(F)cc1F ZINC000820304785 585012044 /nfs/dbraw/zinc/01/20/44/585012044.db2.gz YEBZTGVSPBATNA-LLVKDONJSA-N -1 3 243.253 2.480 20 0 BEADHM CCN(CCC(=O)[O-])Cc1ccc(Cl)nc1 ZINC000737096230 585025686 /nfs/dbraw/zinc/02/56/86/585025686.db2.gz MDMPFUKLLWLTQB-UHFFFAOYSA-N -1 3 242.706 2.032 20 0 BEADHM CC(C)=CCN1CCC(N(C)C(=O)[O-])CC1 ZINC000737606778 585037234 /nfs/dbraw/zinc/03/72/34/585037234.db2.gz LVRPAEYTLVUNIC-UHFFFAOYSA-N -1 3 226.320 2.027 20 0 BEADHM CC[C@@H](C)OC(=O)c1ccc([O-])cc1O ZINC000738578142 585047668 /nfs/dbraw/zinc/04/76/68/585047668.db2.gz NQCVBCGKDADWHA-SSDOTTSWSA-N -1 3 210.229 2.053 20 0 BEADHM Cc1cc(=O)[n-]c(CSc2ncccc2C)n1 ZINC000804921531 585164416 /nfs/dbraw/zinc/16/44/16/585164416.db2.gz BVYXBZIHAQPHNC-UHFFFAOYSA-N -1 3 247.323 2.486 20 0 BEADHM CC(F)(F)CCC(=O)[N-]OCc1cccnc1 ZINC000747174865 585176420 /nfs/dbraw/zinc/17/64/20/585176420.db2.gz QUFZLVCQNGJSQI-UHFFFAOYSA-N -1 3 244.241 2.065 20 0 BEADHM CCCCCCC(=O)Nc1ccncc1[O-] ZINC000748312436 585190759 /nfs/dbraw/zinc/19/07/59/585190759.db2.gz LCMJKTCKXSSISE-UHFFFAOYSA-N -1 3 222.288 2.118 20 0 BEADHM CCO[N-]C(=O)C/C=C/c1cccc(F)c1 ZINC000749341135 585201557 /nfs/dbraw/zinc/20/15/57/585201557.db2.gz WPBSISLSRLQODV-GQCTYLIASA-N -1 3 223.247 2.297 20 0 BEADHM C[C@H](C(=O)[N-]O[C@H]1CCCCO1)C1CCCC1 ZINC000749363419 585201721 /nfs/dbraw/zinc/20/17/21/585201721.db2.gz OYMUEHUDEIQWSM-JQWIXIFHSA-N -1 3 241.331 2.387 20 0 BEADHM CCCC(=O)COC(=O)c1ccc(F)cc1[O-] ZINC000750159121 585211525 /nfs/dbraw/zinc/21/15/25/585211525.db2.gz LQRNKYBDBNPLRE-UHFFFAOYSA-N -1 3 240.230 2.057 20 0 BEADHM CCCCCCNC(=O)c1ccc(N)cc1[O-] ZINC000750856856 585220768 /nfs/dbraw/zinc/22/07/68/585220768.db2.gz MALASFKBCMFGRJ-UHFFFAOYSA-N -1 3 236.315 2.285 20 0 BEADHM Cc1ncc(NC(=O)c2cc3occc3[n-]2)cn1 ZINC000750864121 585220811 /nfs/dbraw/zinc/22/08/11/585220811.db2.gz LVPNHCZJXVORBJ-UHFFFAOYSA-N -1 3 242.238 2.112 20 0 BEADHM CS/C=C\C(=O)[N-]OCc1ccccc1 ZINC000751458467 585230774 /nfs/dbraw/zinc/23/07/74/585230774.db2.gz LTKDRWZMDRYEBT-FPLPWBNLSA-N -1 3 223.297 2.111 20 0 BEADHM CC(C)CO[N-]C(=O)C12CCC(CC1)C2 ZINC000752640168 585248600 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BEADHM CCCC[C@H](C)C(=O)[N-]OCCSC ZINC000800338268 586213566 /nfs/dbraw/zinc/21/35/66/586213566.db2.gz WJJGRERTUNVVNL-VIFPVBQESA-N -1 3 219.350 2.224 20 0 BEADHM CC[C@@H](C)CCC(=O)[N-]OCC(F)F ZINC000803107588 586334543 /nfs/dbraw/zinc/33/45/43/586334543.db2.gz UOCFDZGKAUUNTP-SSDOTTSWSA-N -1 3 209.236 2.126 20 0 BEADHM CC[C@@H](C)CCC(=O)[N-]OC1CCOCC1 ZINC000803118782 586334773 /nfs/dbraw/zinc/33/47/73/586334773.db2.gz CUKHGFZEHUACKQ-SNVBAGLBSA-N -1 3 229.320 2.040 20 0 BEADHM CC(C)SCCOC(=O)c1cncc([O-])c1 ZINC000803348292 586344770 /nfs/dbraw/zinc/34/47/70/586344770.db2.gz ZNBSUPKFEGADMT-UHFFFAOYSA-N -1 3 241.312 2.086 20 0 BEADHM COc1cc(C(=O)OC[C@H]2C[C@@H]2C)ccc1[O-] ZINC000859592864 589048029 /nfs/dbraw/zinc/04/80/29/589048029.db2.gz SZFGVSHZIMYJJY-WCBMZHEXSA-N -1 3 236.267 2.214 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(F)c(CC)c1 ZINC000806560720 586414520 /nfs/dbraw/zinc/41/45/20/586414520.db2.gz PRLVEWQLLFQHMI-UHFFFAOYSA-N -1 3 226.251 2.461 20 0 BEADHM CCCn1c(=O)[n-]nc1SCOC1CCC1 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2.276 20 0 BEADHM CC(C)C(C)(C)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819783367 586994593 /nfs/dbraw/zinc/99/45/93/586994593.db2.gz SIZZBXUUAFFTEL-QMMMGPOBSA-N -1 3 228.361 2.276 20 0 BEADHM C=C/C(C)=C\CC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819783966 586994958 /nfs/dbraw/zinc/99/49/58/586994958.db2.gz VKIAPYGVUXLLDV-RDOCRHDPSA-N -1 3 224.329 2.116 20 0 BEADHM C[C@H](CC(=O)[O-])NC1(c2ccccc2F)CC1 ZINC000820071831 587017571 /nfs/dbraw/zinc/01/75/71/587017571.db2.gz IPJJKIWAODIHJI-SECBINFHSA-N -1 3 237.274 2.268 20 0 BEADHM C[C@@H](CC(=O)[O-])N[C@H]1CSc2ccccc21 ZINC000820079682 587019369 /nfs/dbraw/zinc/01/93/69/587019369.db2.gz TXCGZQPQKJHDRA-WPRPVWTQSA-N -1 3 237.324 2.286 20 0 BEADHM C=C=CCNC(=O)c1ccc(CC)cc1[O-] ZINC000820199253 587034537 /nfs/dbraw/zinc/03/45/37/587034537.db2.gz LOELVDVBFZYOGE-UHFFFAOYSA-N -1 3 217.268 2.026 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)C1(C)CC=CC1 ZINC000820279685 587040386 /nfs/dbraw/zinc/04/03/86/587040386.db2.gz QHVUQQALDGTLRS-SNVBAGLBSA-N -1 3 211.305 2.437 20 0 BEADHM CC[C@H](NCC(=O)[O-])c1ccc(F)cc1F ZINC000820284851 587040929 /nfs/dbraw/zinc/04/09/29/587040929.db2.gz FSDYDUFKHGZEOC-JTQLQIEISA-N -1 3 229.226 2.090 20 0 BEADHM CC[C@@H](N[C@@H](C)c1cccc(F)c1F)C(=O)[O-] ZINC000820419352 587047563 /nfs/dbraw/zinc/04/75/63/587047563.db2.gz YAWQDQFSINKRNA-OIBJUYFYSA-N -1 3 243.253 2.479 20 0 BEADHM CCc1ccc(C(=O)N(CC)CC(C)=O)c([O-])c1 ZINC000820448979 587049759 /nfs/dbraw/zinc/04/97/59/587049759.db2.gz UXRCJPDZXALMHL-UHFFFAOYSA-N -1 3 249.310 2.006 20 0 BEADHM CCO[N-]C(=O)CC[C@H]1CC1(Cl)Cl ZINC000820518081 587052213 /nfs/dbraw/zinc/05/22/13/587052213.db2.gz QIEMKISGTBUOBR-LURJTMIESA-N -1 3 226.103 2.028 20 0 BEADHM C[C@@H]1C[C@@H]1Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820678812 587065766 /nfs/dbraw/zinc/06/57/66/587065766.db2.gz YPFLCMDCVFGIRP-MUWHJKNJSA-N -1 3 249.705 2.340 20 0 BEADHM C[C@@H]1C[C@@H]1Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820678812 587065768 /nfs/dbraw/zinc/06/57/68/587065768.db2.gz YPFLCMDCVFGIRP-MUWHJKNJSA-N -1 3 249.705 2.340 20 0 BEADHM C[C@@H]1[C@@H](C)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000820728843 587069041 /nfs/dbraw/zinc/06/90/41/587069041.db2.gz ZECUOIYCUKWUBC-VHSXEESVSA-N -1 3 243.314 2.101 20 0 BEADHM C[C@@H]1[C@@H](C)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000820728843 587069043 /nfs/dbraw/zinc/06/90/43/587069043.db2.gz ZECUOIYCUKWUBC-VHSXEESVSA-N -1 3 243.314 2.101 20 0 BEADHM CC(C)=C(C)CC(=O)[N-]OCC(F)(F)F ZINC000821032773 587089420 /nfs/dbraw/zinc/08/94/20/587089420.db2.gz WFCAZDGBGKXSAO-UHFFFAOYSA-N -1 3 225.210 2.343 20 0 BEADHM CCCCCCNc1ccc(-c2nnn[n-]2)nc1 ZINC000821056188 587091142 /nfs/dbraw/zinc/09/11/42/587091142.db2.gz OKDSAVNPJHMLMD-UHFFFAOYSA-N -1 3 246.318 2.254 20 0 BEADHM CCCCCCNc1ccc(-c2nn[n-]n2)nc1 ZINC000821056188 587091144 /nfs/dbraw/zinc/09/11/44/587091144.db2.gz OKDSAVNPJHMLMD-UHFFFAOYSA-N -1 3 246.318 2.254 20 0 BEADHM O=C([N-]OC1CCC1)c1cc(Cl)ncc1F ZINC000821222611 587102616 /nfs/dbraw/zinc/10/26/16/587102616.db2.gz UEAPULPCVLANBE-UHFFFAOYSA-N -1 3 244.653 2.088 20 0 BEADHM O=C(C[C@@H]1CC=CCC1)[N-]OC1CCC1 ZINC000821223035 587102894 /nfs/dbraw/zinc/10/28/94/587102894.db2.gz ZNYIWRXXZLXIIR-SNVBAGLBSA-N -1 3 209.289 2.333 20 0 BEADHM O=C([O-])CCCCN(Cc1ccccn1)C1CC1 ZINC000821518385 587124607 /nfs/dbraw/zinc/12/46/07/587124607.db2.gz ZITVLZXXGURUFM-UHFFFAOYSA-N -1 3 248.326 2.301 20 0 BEADHM O=C([O-])[C@H](Cc1ccccc1)NCc1ccoc1 ZINC000821541246 587127498 /nfs/dbraw/zinc/12/74/98/587127498.db2.gz MPSGUKUVDWMKPR-ZDUSSCGKSA-N -1 3 245.278 2.065 20 0 BEADHM CC1(C(=O)Nc2ncccc2[O-])CC(F)(F)C1 ZINC000821844339 587143275 /nfs/dbraw/zinc/14/32/75/587143275.db2.gz VRYJXGRFWJKQGC-UHFFFAOYSA-N -1 3 242.225 2.161 20 0 BEADHM C[C@@H]1CC[C@H](C(=O)[N-]C2=NCCS2)C[C@H]1C ZINC000822234313 587158936 /nfs/dbraw/zinc/15/89/36/587158936.db2.gz OEEMYTHXEIRDQH-BBBLOLIVSA-N -1 3 240.372 2.278 20 0 BEADHM C[C@@H]1CC[C@@H](C(=O)[N-]C2=NCCS2)C[C@H]1C ZINC000822234315 587159006 /nfs/dbraw/zinc/15/90/06/587159006.db2.gz OEEMYTHXEIRDQH-OPRDCNLKSA-N -1 3 240.372 2.278 20 0 BEADHM CO[N-]C(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC000822381910 587164744 /nfs/dbraw/zinc/16/47/44/587164744.db2.gz GKDZCHWFXGTXKO-UHFFFAOYSA-N -1 3 239.702 2.340 20 0 BEADHM Fc1ccc(NCC2CCC2)c(-c2nnn[n-]2)c1 ZINC000822779557 587185627 /nfs/dbraw/zinc/18/56/27/587185627.db2.gz WVCQPGFXEGJKGM-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM Fc1ccc(NCC2CCC2)c(-c2nn[n-]n2)c1 ZINC000822779557 587185628 /nfs/dbraw/zinc/18/56/28/587185628.db2.gz WVCQPGFXEGJKGM-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM CCc1n[n-]c(Cl)c1C(=O)OCC(F)F ZINC000860223427 589090050 /nfs/dbraw/zinc/09/00/50/589090050.db2.gz RXWGGMBBJWWKRZ-UHFFFAOYSA-N -1 3 238.621 2.047 20 0 BEADHM CCc1[n-]nc(Cl)c1C(=O)OCC(F)F ZINC000860223427 589090051 /nfs/dbraw/zinc/09/00/51/589090051.db2.gz RXWGGMBBJWWKRZ-UHFFFAOYSA-N -1 3 238.621 2.047 20 0 BEADHM CCc1n[n-]c(Cl)c1C(=O)OCCCF ZINC000860223949 589090261 /nfs/dbraw/zinc/09/02/61/589090261.db2.gz XXBUYGXYAACEQR-UHFFFAOYSA-N -1 3 234.658 2.142 20 0 BEADHM CCc1[n-]nc(Cl)c1C(=O)OCCCF ZINC000860223949 589090263 /nfs/dbraw/zinc/09/02/63/589090263.db2.gz XXBUYGXYAACEQR-UHFFFAOYSA-N -1 3 234.658 2.142 20 0 BEADHM Cc1cc(=O)[n-]c(CN2CC[C@@H](C)C[C@H]2C)n1 ZINC000823508948 587228729 /nfs/dbraw/zinc/22/87/29/587228729.db2.gz AXGXUPDIXSNAAI-MWLCHTKSSA-N -1 3 235.331 2.111 20 0 BEADHM CCO[N-]C(=O)Nc1cc(C)c(C)cc1OC ZINC000824610795 587279277 /nfs/dbraw/zinc/27/92/77/587279277.db2.gz QWFGWFIDIGLZRT-UHFFFAOYSA-N -1 3 238.287 2.385 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(C(F)F)nc1 ZINC000824803585 587288364 /nfs/dbraw/zinc/28/83/64/587288364.db2.gz XTJBDLJJVKVMCD-UHFFFAOYSA-N -1 3 231.202 2.092 20 0 BEADHM C[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824915549 587293677 /nfs/dbraw/zinc/29/36/77/587293677.db2.gz GGCYEYNCTAEUAD-JOYOIKCWSA-N -1 3 243.314 2.467 20 0 BEADHM C[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824915549 587293679 /nfs/dbraw/zinc/29/36/79/587293679.db2.gz GGCYEYNCTAEUAD-JOYOIKCWSA-N -1 3 243.314 2.467 20 0 BEADHM CCC(CC)Nc1nccc(C)c1-c1nnn[n-]1 ZINC000825108356 587305099 /nfs/dbraw/zinc/30/50/99/587305099.db2.gz WHMDWNFJNDCHSO-UHFFFAOYSA-N -1 3 246.318 2.171 20 0 BEADHM CCC(CC)Nc1nccc(C)c1-c1nn[n-]n1 ZINC000825108356 587305101 /nfs/dbraw/zinc/30/51/01/587305101.db2.gz WHMDWNFJNDCHSO-UHFFFAOYSA-N -1 3 246.318 2.171 20 0 BEADHM CC(C)[C@@H](CN[C@H](C)c1ccco1)NC(=O)[O-] ZINC000825484511 587320784 /nfs/dbraw/zinc/32/07/84/587320784.db2.gz IOSBRSYFRPCHIL-NXEZZACHSA-N -1 3 240.303 2.222 20 0 BEADHM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccco1 ZINC000825480424 587320925 /nfs/dbraw/zinc/32/09/25/587320925.db2.gz XUFZDSAQCMMDJN-VHSXEESVSA-N -1 3 238.287 2.073 20 0 BEADHM CC(C)[C@H](CN[C@H](C)c1ccco1)NC(=O)[O-] ZINC000825484514 587321023 /nfs/dbraw/zinc/32/10/23/587321023.db2.gz IOSBRSYFRPCHIL-ZJUUUORDSA-N -1 3 240.303 2.222 20 0 BEADHM C/C(=C\CN(Cc1ccccn1)C(C)C)C(=O)[O-] ZINC000825729956 587334469 /nfs/dbraw/zinc/33/44/69/587334469.db2.gz OJKSYQQTZGXKLP-KPKJPENVSA-N -1 3 248.326 2.323 20 0 BEADHM C/C(=C\CNC1(c2ccccc2)CC1)C(=O)[O-] ZINC000825747260 587336324 /nfs/dbraw/zinc/33/63/24/587336324.db2.gz REZNJHABTKHERE-YRNVUSSQSA-N -1 3 231.295 2.296 20 0 BEADHM C/C(=C/c1ccccc1)CNC1CN(C(=O)[O-])C1 ZINC000825798803 587339738 /nfs/dbraw/zinc/33/97/38/587339738.db2.gz YZRFGPAMRRMDGT-XFFZJAGNSA-N -1 3 246.310 2.042 20 0 BEADHM C[C@H]1C[C@H](c2ccccc2)CN1CCNC(=O)[O-] ZINC000825853176 587341898 /nfs/dbraw/zinc/34/18/98/587341898.db2.gz VBWBFXIAUCBORZ-AAEUAGOBSA-N -1 3 248.326 2.132 20 0 BEADHM C[C@@H](C(=O)[O-])[C@H](NCCF)c1ccccc1 ZINC000826053989 587349896 /nfs/dbraw/zinc/34/98/96/587349896.db2.gz JYNNDDUDAXZXSH-KOLCDFICSA-N -1 3 225.263 2.008 20 0 BEADHM C[C@H](C(=O)[O-])[C@H](NCCF)c1ccccc1 ZINC000826053991 587349956 /nfs/dbraw/zinc/34/99/56/587349956.db2.gz JYNNDDUDAXZXSH-ONGXEEELSA-N -1 3 225.263 2.008 20 0 BEADHM CC(C)(CC(=O)[O-])NCc1cccc(Cl)n1 ZINC000826538491 587354457 /nfs/dbraw/zinc/35/44/57/587354457.db2.gz UPMXNNJXBVRIEM-UHFFFAOYSA-N -1 3 242.706 2.078 20 0 BEADHM O=C([N-]OCC1CCC1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000826628063 587357338 /nfs/dbraw/zinc/35/73/38/587357338.db2.gz UNDAZZDCJWOQLW-NJZULAAPSA-N -1 3 235.327 2.126 20 0 BEADHM CC[C@@H]1c2ccccc2CCN1CCNC(=O)[O-] ZINC000826701621 587359535 /nfs/dbraw/zinc/35/95/35/587359535.db2.gz WGMANXZHJTWONP-CYBMUJFWSA-N -1 3 248.326 2.263 20 0 BEADHM CCCC[C@@H](CNC(=O)[O-])NCc1ccco1 ZINC000826815509 587363313 /nfs/dbraw/zinc/36/33/13/587363313.db2.gz RWPFUDLXYYVYAP-JTQLQIEISA-N -1 3 240.303 2.196 20 0 BEADHM CCN(CCN[C@@H](C)c1ccsc1)C(=O)[O-] ZINC000827151053 587371332 /nfs/dbraw/zinc/37/13/32/587371332.db2.gz SWKWOQDVQDYKQK-VIFPVBQESA-N -1 3 242.344 2.399 20 0 BEADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)[N-]OCc1cccnc1 ZINC000827171253 587371799 /nfs/dbraw/zinc/37/17/99/587371799.db2.gz ZQKPKURAGZBVHQ-AGIUHOORSA-N -1 3 246.310 2.066 20 0 BEADHM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]OCC(F)(F)F ZINC000827243593 587373598 /nfs/dbraw/zinc/37/35/98/587373598.db2.gz NYQHVZKDEHMVHM-VXNVDRBHSA-N -1 3 239.237 2.423 20 0 BEADHM C[C@H](CN(CCF)Cc1ccccc1)C(=O)[O-] ZINC000827450258 587381866 /nfs/dbraw/zinc/38/18/66/587381866.db2.gz UQIHYKPQKSATTA-LLVKDONJSA-N -1 3 239.290 2.179 20 0 BEADHM C[C@H]1CCC[C@]1(C)C(=O)[N-]OCc1cccnc1 ZINC000827501432 587384339 /nfs/dbraw/zinc/38/43/39/587384339.db2.gz QQMMVWNEHJWOTB-FZMZJTMJSA-N -1 3 248.326 2.456 20 0 BEADHM C[C@@](NC/C(Cl)=C/Cl)(C(=O)[O-])C1CC1 ZINC000827735365 587400426 /nfs/dbraw/zinc/40/04/26/587400426.db2.gz VRTMMNWBNQVKLD-WYDVEAGSSA-N -1 3 238.114 2.148 20 0 BEADHM C[C@@H](c1ccccc1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000827951636 587413027 /nfs/dbraw/zinc/41/30/27/587413027.db2.gz ZGTFOCBVWSBXJA-GWCFXTLKSA-N -1 3 237.274 2.246 20 0 BEADHM CCCO[N-]C(=O)Nc1cccc(OC)c1 ZINC000828222334 587425411 /nfs/dbraw/zinc/42/54/11/587425411.db2.gz WSXUIPZVZPAPFB-UHFFFAOYSA-N -1 3 224.260 2.158 20 0 BEADHM CN(C[C@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000828230507 587426024 /nfs/dbraw/zinc/42/60/24/587426024.db2.gz QJRMOCMZUNOERJ-CYBMUJFWSA-N -1 3 248.326 2.261 20 0 BEADHM CCCON=C([O-])N1CCc2ccc(F)cc21 ZINC000828257200 587428380 /nfs/dbraw/zinc/42/83/80/587428380.db2.gz URKLKYCUGLBTRU-UHFFFAOYSA-N -1 3 238.262 2.239 20 0 BEADHM CCCO[N-]C(=O)N1CCc2ccc(F)cc21 ZINC000828257200 587428382 /nfs/dbraw/zinc/42/83/82/587428382.db2.gz URKLKYCUGLBTRU-UHFFFAOYSA-N -1 3 238.262 2.239 20 0 BEADHM CC(C)CCCC(=O)[N-]OCC(F)F ZINC000828461308 587443866 /nfs/dbraw/zinc/44/38/66/587443866.db2.gz RSYVMTDFTUFHEQ-UHFFFAOYSA-N -1 3 209.236 2.126 20 0 BEADHM CC(=O)[C@H](OC(=O)c1ccc([O-])cc1)C(C)C ZINC000828520001 587447535 /nfs/dbraw/zinc/44/75/35/587447535.db2.gz PZNUGVPQYHMPHN-GFCCVEGCSA-N -1 3 236.267 2.163 20 0 BEADHM CC[C@](C)(CC(=O)[O-])NCc1ccco1 ZINC000828665775 587456317 /nfs/dbraw/zinc/45/63/17/587456317.db2.gz YJJZMNHXVBKGDF-LLVKDONJSA-N -1 3 211.261 2.013 20 0 BEADHM CC[C@](C)(CC(=O)[O-])NCc1nc(C)cs1 ZINC000828672665 587456493 /nfs/dbraw/zinc/45/64/93/587456493.db2.gz UUWGJXSMALPQIQ-LLVKDONJSA-N -1 3 242.344 2.185 20 0 BEADHM CCCCCCN1CC[C@](F)(C(=O)[O-])C1 ZINC000829357977 587493887 /nfs/dbraw/zinc/49/38/87/587493887.db2.gz WKOTUOGMYBGBFU-LLVKDONJSA-N -1 3 217.284 2.065 20 0 BEADHM Cc1ccc([C@H](C)N[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000830258029 587544466 /nfs/dbraw/zinc/54/44/66/587544466.db2.gz ZCPVYFFQHPPGQS-WCQYABFASA-N -1 3 248.326 2.398 20 0 BEADHM Cc1ccc([C@H](C)NCCCN(C)C(=O)[O-])o1 ZINC000830256288 587544531 /nfs/dbraw/zinc/54/45/31/587544531.db2.gz HYRXWOGUADMMCP-JTQLQIEISA-N -1 3 240.303 2.239 20 0 BEADHM Cc1cccc([C@H](C)NCCN(C)C(=O)[O-])c1 ZINC000830471750 587552856 /nfs/dbraw/zinc/55/28/56/587552856.db2.gz JWFPQULDUHPCDY-NSHDSACASA-N -1 3 236.315 2.255 20 0 BEADHM Cc1cccc(CN(C)[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000830497678 587554740 /nfs/dbraw/zinc/55/47/40/587554740.db2.gz JPIGYWSSRCFDRG-ZDUSSCGKSA-N -1 3 248.326 2.179 20 0 BEADHM Cc1cccc2c1CC[C@H]2NCCN(C)C(=O)[O-] ZINC000830538603 587557083 /nfs/dbraw/zinc/55/70/83/587557083.db2.gz HWTBBCJQXYLUDF-CYBMUJFWSA-N -1 3 248.326 2.182 20 0 BEADHM Cc1ccccc1[C@H](C)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000830553473 587558112 /nfs/dbraw/zinc/55/81/12/587558112.db2.gz HORVKWYRNGLVBU-NWDGAFQWSA-N -1 3 248.326 2.398 20 0 BEADHM Cc1ccccc1[C@H](C)NCCN(C)C(=O)[O-] ZINC000830554718 587558161 /nfs/dbraw/zinc/55/81/61/587558161.db2.gz OXAIIDLDAYFOQS-NSHDSACASA-N -1 3 236.315 2.255 20 0 BEADHM CN(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1 ZINC000830855663 587574197 /nfs/dbraw/zinc/57/41/97/587574197.db2.gz DLAUTDSAWUGRQR-UHFFFAOYSA-N -1 3 244.294 2.345 20 0 BEADHM CCCO[N-]C(=O)Nc1ccc(OC)cc1C ZINC000831416966 587604946 /nfs/dbraw/zinc/60/49/46/587604946.db2.gz OARDGUDKVGYBAS-UHFFFAOYSA-N -1 3 238.287 2.467 20 0 BEADHM CCON(CC)C(=O)c1cccc(CC)c1[O-] ZINC000831467612 587611130 /nfs/dbraw/zinc/61/11/30/587611130.db2.gz TVUXHJQWFLXXQH-UHFFFAOYSA-N -1 3 237.299 2.368 20 0 BEADHM CCCO[N-]C(=O)Nc1ccsc1 ZINC000831546257 587618230 /nfs/dbraw/zinc/61/82/30/587618230.db2.gz QRQKUFFXXZQCKR-UHFFFAOYSA-N -1 3 200.263 2.211 20 0 BEADHM C[C@]1(CNC(=O)c2ccccc2[O-])CCCCO1 ZINC000832508749 587664239 /nfs/dbraw/zinc/66/42/39/587664239.db2.gz PKBYQBGTSACFCT-CQSZACIVSA-N -1 3 249.310 2.081 20 0 BEADHM CC[C@H]([N-]C(=O)C(C)(Cl)Cl)C(F)F ZINC000833204219 587702332 /nfs/dbraw/zinc/70/23/32/587702332.db2.gz HTMDRDJEYOUCKW-BYPYZUCNSA-N -1 3 234.073 2.340 20 0 BEADHM CC(C)(CNCc1cccc(F)c1F)C(=O)[O-] ZINC000833458692 587715309 /nfs/dbraw/zinc/71/53/09/587715309.db2.gz XNCFZJORHOMKMF-UHFFFAOYSA-N -1 3 243.253 2.165 20 0 BEADHM C[C@H]1CC[C@H](C)N(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833601367 587723211 /nfs/dbraw/zinc/72/32/11/587723211.db2.gz AWGICVUBSRQIRE-UWVGGRQHSA-N -1 3 236.315 2.333 20 0 BEADHM C[C@@H]1CC[C@H](C)CN1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833601368 587723450 /nfs/dbraw/zinc/72/34/50/587723450.db2.gz AWGICVUBSRQIRE-VHSXEESVSA-N -1 3 236.315 2.333 20 0 BEADHM CCc1ccc([C@@H](C)NC2CN(C(=O)[O-])C2)cc1 ZINC000833669469 587727717 /nfs/dbraw/zinc/72/77/17/587727717.db2.gz FTCMUJVYVMKMGI-SNVBAGLBSA-N -1 3 248.326 2.262 20 0 BEADHM O=C([O-])c1cc(CN2CCC[C@H]3CCC[C@H]32)c[nH]1 ZINC000833779175 587731471 /nfs/dbraw/zinc/73/14/71/587731471.db2.gz KARFNWLNRIFMBU-DGCLKSJQSA-N -1 3 248.326 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591230586 /nfs/dbraw/zinc/23/05/86/591230586.db2.gz NDICCMUTKYHTPT-ZETCQYMHSA-N -1 3 211.227 2.491 20 0 BEADHM O=C(CCCF)NCc1cc([O-])ccc1Cl ZINC000882232187 591318543 /nfs/dbraw/zinc/31/85/43/591318543.db2.gz JMWPVFCHEVNMCA-UHFFFAOYSA-N -1 3 245.681 2.412 20 0 BEADHM CO[N-]C(=O)/C(C)=C/c1cccc(Cl)c1 ZINC000129573148 591328358 /nfs/dbraw/zinc/32/83/58/591328358.db2.gz IKVFROLRVSFROY-SOFGYWHQSA-N -1 3 225.675 2.421 20 0 BEADHM O=c1ccnc(C=CC=Cc2ccccc2)[n-]1 ZINC000131808654 591664273 /nfs/dbraw/zinc/66/42/73/591664273.db2.gz RJUQVLONOVSGHE-KBXRYBNXSA-N -1 3 224.263 2.497 20 0 BEADHM CCC[C@@H](C)OC(=O)c1cccc2nn[n-]c21 ZINC000800209388 591839648 /nfs/dbraw/zinc/83/96/48/591839648.db2.gz TWHNWQXGVOKBNA-MRVPVSSYSA-N -1 3 233.271 2.303 20 0 BEADHM CCC[C@@H](C)OC(=O)c1cccc2[n-]nnc21 ZINC000800209388 591839653 /nfs/dbraw/zinc/83/96/53/591839653.db2.gz TWHNWQXGVOKBNA-MRVPVSSYSA-N -1 3 233.271 2.303 20 0 BEADHM CCC[C@@H](C)OC(=O)c1cccc2n[n-]nc21 ZINC000800209388 591839654 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241.718 2.493 20 0 BEADHM O=C(NC1CC1)c1cc2sccc2c([O-])c1 ZINC000082319743 643297820 /nfs/dbraw/zinc/29/78/20/643297820.db2.gz LYLMRKVXIQEMSM-UHFFFAOYSA-N -1 3 233.292 2.499 20 0 BEADHM [O-]c1ccc(CNCc2ccon2)cc1Cl ZINC000086452649 644138976 /nfs/dbraw/zinc/13/89/76/644138976.db2.gz XDUPQAOXOZSBHA-UHFFFAOYSA-N -1 3 238.674 2.323 20 0 BEADHM CCO[N-]C(=O)CCCc1ccc(C)s1 ZINC000079528072 644186813 /nfs/dbraw/zinc/18/68/13/644186813.db2.gz KMMOXCUTCLPBFQ-UHFFFAOYSA-N -1 3 227.329 2.447 20 0 BEADHM C[C@@H]1CC[C@@H](CCC(=O)[N-]OC2CCCC2)O1 ZINC000774866338 644699031 /nfs/dbraw/zinc/69/90/31/644699031.db2.gz UDRSJETUDQZUMW-MNOVXSKESA-N -1 3 241.331 2.325 20 0 BEADHM CCC/C(C)=C\C(=O)NCc1ncccc1[O-] ZINC000792611145 644799559 /nfs/dbraw/zinc/79/95/59/644799559.db2.gz YKXMTIBMEVORFJ-NTMALXAHSA-N -1 3 234.299 2.150 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CCC[C@H](C)C1 ZINC000096785588 644837235 /nfs/dbraw/zinc/83/72/35/644837235.db2.gz JQGZHWQRBIIEAX-JTQLQIEISA-N -1 3 249.310 2.273 20 0 BEADHM CC[C@@H]([N-]C(=O)C(C)(F)F)c1nccs1 ZINC000808463305 644881857 /nfs/dbraw/zinc/88/18/57/644881857.db2.gz ZWZDWUZEVSOHMA-ZCFIWIBFSA-N -1 3 234.271 2.366 20 0 BEADHM Cc1nc([C@H](C)OC(=O)c2ccc([O-])cc2)no1 ZINC000811032496 644909194 /nfs/dbraw/zinc/90/91/94/644909194.db2.gz BRXLUXYWZSLYPZ-ZETCQYMHSA-N -1 3 248.238 2.002 20 0 BEADHM CC(=O)C(C)(C)CCC(=O)[N-]OCCC1CC1 ZINC000817399668 644976589 /nfs/dbraw/zinc/97/65/89/644976589.db2.gz VXELLWABCWEQQP-UHFFFAOYSA-N -1 3 241.331 2.230 20 0 BEADHM CC[C@H](CSC)[N-]C(=O)C(F)(F)C(F)F ZINC000223887259 645904655 /nfs/dbraw/zinc/90/46/55/645904655.db2.gz VBWBYDLCVDVTTE-RXMQYKEDSA-N -1 3 247.257 2.145 20 0 BEADHM C[C@@H](NCc1ccon1)c1cc([O-])cc(F)c1 ZINC000925212147 646209772 /nfs/dbraw/zinc/20/97/72/646209772.db2.gz OYQJXEVBEFXDQO-MRVPVSSYSA-N -1 3 236.246 2.370 20 0 BEADHM CCO[N-]C(=O)Cc1ccc(C)c(Cl)c1 ZINC000929712635 646267747 /nfs/dbraw/zinc/26/77/47/646267747.db2.gz NPOHKQHUAJUNPB-UHFFFAOYSA-N -1 3 227.691 2.259 20 0 BEADHM CO[N-]C(=O)CCc1ccc(SC)cc1 ZINC000929856807 646361987 /nfs/dbraw/zinc/36/19/87/646361987.db2.gz WTOWHFUNXHUFCL-UHFFFAOYSA-N -1 3 225.313 2.019 20 0 BEADHM Cc1scc(CNc2cc(=O)[n-]cn2)c1C ZINC000399826796 711761481 /nfs/dbraw/zinc/76/14/81/711761481.db2.gz VOOVVSZIWBAOAI-UHFFFAOYSA-N -1 3 235.312 2.473 20 0 BEADHM Cc1oc(CNCC2=CCCC2)cc1C(=O)[O-] ZINC000702393129 712049860 /nfs/dbraw/zinc/04/98/60/712049860.db2.gz YYFOTPRQGDGHMP-UHFFFAOYSA-N -1 3 235.283 2.486 20 0 BEADHM O=C([O-])c1csc(CN2CCC(F)CC2)c1 ZINC000711380980 712296431 /nfs/dbraw/zinc/29/64/31/712296431.db2.gz XJMZVYGOAAODLC-UHFFFAOYSA-N -1 3 243.303 2.380 20 0 BEADHM C[C@@H]1CCN(Cc2cncc(C(=O)[O-])c2)C[C@H]1C ZINC000721544795 711621429 /nfs/dbraw/zinc/62/14/29/711621429.db2.gz DOWPZYJXBUSIAN-GHMZBOCLSA-N -1 3 248.326 2.258 20 0 BEADHM CN(CCC(C)(C)C)Cc1cc(C(=O)[O-])no1 ZINC000399738498 711759300 /nfs/dbraw/zinc/75/93/00/711759300.db2.gz WCKFAHBZFNSVQG-UHFFFAOYSA-N -1 3 240.303 2.241 20 0 BEADHM [O-]c1ccc(CN2CCC[C@@H](F)C2)cc1F ZINC000701674768 712027266 /nfs/dbraw/zinc/02/72/66/712027266.db2.gz RPZNJCGNLYNVDT-SNVBAGLBSA-N -1 3 227.254 2.465 20 0 BEADHM CC1(C)C[C@]1(C)NCc1ccc(C(=O)[O-])o1 ZINC000701954218 712033347 /nfs/dbraw/zinc/03/33/47/712033347.db2.gz BZBQSSRYRBBLTH-LBPRGKRZSA-N -1 3 223.272 2.256 20 0 BEADHM CC1(C)C[C@]1(C)NCc1ccc(C(=O)[O-])cn1 ZINC000706562230 712150155 /nfs/dbraw/zinc/15/01/55/712150155.db2.gz QFEPECHYZJJMME-ZDUSSCGKSA-N -1 3 234.299 2.058 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CCC=CO1 ZINC000706655855 712151132 /nfs/dbraw/zinc/15/11/32/712151132.db2.gz YQUNABADLKCSDZ-LLVKDONJSA-N -1 3 247.294 2.123 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CCC=CO1 ZINC000706655856 712151373 /nfs/dbraw/zinc/15/13/73/712151373.db2.gz YQUNABADLKCSDZ-NSHDSACASA-N -1 3 247.294 2.123 20 0 BEADHM O=c1cc(N2CC[C@H](C3CCCC3)C2)nc[n-]1 ZINC000708782391 712198621 /nfs/dbraw/zinc/19/86/21/712198621.db2.gz QRKCLUCEDTWGFZ-NSHDSACASA-N -1 3 233.315 2.199 20 0 BEADHM CCCC(=O)[N-]OCCCC(F)(F)F ZINC000710177841 712246945 /nfs/dbraw/zinc/24/69/45/712246945.db2.gz QLQZTAWAATWQBR-UHFFFAOYSA-N -1 3 213.199 2.177 20 0 BEADHM CC[C@@H](CC(=O)[N-]OCCOC)C(C)(C)C ZINC000711181018 712288132 /nfs/dbraw/zinc/28/81/32/712288132.db2.gz OFUKGTLUPQMQEN-JTQLQIEISA-N -1 3 231.336 2.143 20 0 BEADHM O=C([O-])c1cc(CN2CC[C@H](CF)C2)cs1 ZINC000711501970 712307549 /nfs/dbraw/zinc/30/75/49/712307549.db2.gz IKVZOPCICGTVJP-MRVPVSSYSA-N -1 3 243.303 2.238 20 0 BEADHM Cc1ccc(CC(=O)[N-]OC(C)C)cc1C ZINC000379032263 712367890 /nfs/dbraw/zinc/36/78/90/712367890.db2.gz XHEZIDFRPAQPOK-UHFFFAOYSA-N -1 3 221.300 2.302 20 0 BEADHM Cc1ccc(CCC(=O)[N-]OC(C)C)cc1 ZINC000379017890 712368535 /nfs/dbraw/zinc/36/85/35/712368535.db2.gz RIIGEIWEMDUQMZ-UHFFFAOYSA-N -1 3 221.300 2.384 20 0 BEADHM CC(C)C1([N-]C(=O)C(F)(F)C(F)F)CC1 ZINC000379716178 712392977 /nfs/dbraw/zinc/39/29/77/712392977.db2.gz MQJUVBGBSVVGSE-UHFFFAOYSA-N -1 3 227.201 2.192 20 0 BEADHM Cc1nc(N[C@H](C)c2ccns2)cc(=O)[n-]1 ZINC000715920889 712542830 /nfs/dbraw/zinc/54/28/30/712542830.db2.gz BBMPVCJVSWFTQY-ZCFIWIBFSA-N -1 3 236.300 2.120 20 0 BEADHM O=C(CCCC(F)(F)F)[N-]OC1CCC1 ZINC000812787829 712586579 /nfs/dbraw/zinc/58/65/79/712586579.db2.gz JCEZNSAYWOBTIJ-UHFFFAOYSA-N -1 3 225.210 2.319 20 0 BEADHM O=C(NC1CCC=CCC1)c1c([O-])cccc1O ZINC000718077057 712741319 /nfs/dbraw/zinc/74/13/19/712741319.db2.gz JCUHUKIQAIVIFG-UHFFFAOYSA-N -1 3 247.294 2.326 20 0 BEADHM Cc1ccc(C(=O)N[C@H]2CC23CCC3)c([O-])c1 ZINC000721146017 712892845 /nfs/dbraw/zinc/89/28/45/712892845.db2.gz GCYBLKWCXXQUGH-LBPRGKRZSA-N -1 3 231.295 2.373 20 0 BEADHM CC(C)OC(=O)Nc1ccc([O-])c(F)c1 ZINC000082878391 957826156 /nfs/dbraw/zinc/82/61/56/957826156.db2.gz KUZHKSWRNXOTIZ-UHFFFAOYSA-N -1 3 213.208 2.488 20 0 BEADHM Cc1nc(NC[C@]23C[C@H]2CCC3)cc(=O)[n-]1 ZINC000693578334 958868785 /nfs/dbraw/zinc/86/87/85/958868785.db2.gz AXHZXSUYWHWODW-SKDRFNHKSA-N -1 3 219.288 2.093 20 0 BEADHM Cc1csc([C@H](C)NCCCCC(=O)[O-])n1 ZINC000235510206 960446345 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WXXJKHMAVXXMEN-POYBYMJQSA-N -1 3 242.275 2.130 20 0 BEADHM CC[C@H](CNCc1ccc([O-])c(F)c1F)OC ZINC001206084017 968054633 /nfs/dbraw/zinc/05/46/33/968054633.db2.gz BZIPLUAPJOGGKK-SECBINFHSA-N -1 3 245.269 2.185 20 0 BEADHM CC(C)CS(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000066578520 1166034745 /nfs/dbraw/zinc/03/47/45/1166034745.db2.gz FDRFLOSWROTBAX-UHFFFAOYSA-N -1 3 249.282 2.363 20 0 BEADHM CCOc1cccc(-c2nnc(C)o2)c1[O-] ZINC001253471021 969187811 /nfs/dbraw/zinc/18/78/11/969187811.db2.gz OMGSBDQBTPKWLK-UHFFFAOYSA-N -1 3 220.228 2.149 20 0 BEADHM Cc1nc(CNCCC(C)(C)C(=O)[O-])cs1 ZINC000395637287 1166723777 /nfs/dbraw/zinc/72/37/77/1166723777.db2.gz SRUQSPCAIZGHPW-UHFFFAOYSA-N -1 3 242.344 2.042 20 0 BEADHM CCC(CC)[C@H](CC)Oc1[n-]c(=O)nnc1C ZINC001226461916 1167129917 /nfs/dbraw/zinc/12/99/17/1167129917.db2.gz YJMXZXLBPLLINZ-JTQLQIEISA-N -1 3 239.319 2.479 20 0 BEADHM Cc1nsc(C)c1CN(C)CCCC(=O)[O-] ZINC001594503711 977695116 /nfs/dbraw/zinc/69/51/16/977695116.db2.gz LPGTULUOMWGUEE-UHFFFAOYSA-N -1 3 242.344 2.057 20 0 BEADHM [O-]c1cc(CN2CCC(O)CC2)ccc1Cl ZINC001231733438 977721228 /nfs/dbraw/zinc/72/12/28/977721228.db2.gz UFWRPCDBUULRID-UHFFFAOYSA-N -1 3 241.718 2.002 20 0 BEADHM Cc1cc(=O)[n-]c(NCC[C@]2(C)CC2(F)F)n1 ZINC001336679736 977849571 /nfs/dbraw/zinc/84/95/71/977849571.db2.gz PETVKTLDWHPETH-SNVBAGLBSA-N -1 3 243.257 2.338 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@@H](C)CC(F)F)n1 ZINC001337203025 978213739 /nfs/dbraw/zinc/21/37/39/978213739.db2.gz GZGZNPLSGAHTLI-LURJTMIESA-N -1 3 231.246 2.194 20 0 BEADHM C[C@H]1COC[C@@H]1Oc1nc2ccsc2[n-]1 ZINC001234852429 978916679 /nfs/dbraw/zinc/91/66/79/978916679.db2.gz VZSWJRHQIZSTJQ-XPUUQOCRSA-N -1 3 224.285 2.038 20 0 BEADHM C[C@H]1COC[C@@H]1Oc1nc2sccc2[n-]1 ZINC001234852429 978916688 /nfs/dbraw/zinc/91/66/88/978916688.db2.gz VZSWJRHQIZSTJQ-XPUUQOCRSA-N -1 3 224.285 2.038 20 0 BEADHM O=C([O-])c1coc(CNC2CC(C(F)F)C2)c1 ZINC001602555205 979130797 /nfs/dbraw/zinc/13/07/97/979130797.db2.gz GTGHKQZXUNCVHA-UHFFFAOYSA-N -1 3 245.225 2.111 20 0 BEADHM C[C@@H]1C[C@H](C)N1Cc1cc(C(=O)[O-])cs1 ZINC001604664268 979696619 /nfs/dbraw/zinc/69/66/19/979696619.db2.gz FALJYZUNDQAYID-OCAPTIKFSA-N -1 3 225.313 2.429 20 0 BEADHM O=c1[n-]c(Cl)c(CN2CC3CC(C3)C2)s1 ZINC001237169539 979826748 /nfs/dbraw/zinc/82/67/48/979826748.db2.gz PSFDMMUCRZDZGJ-UHFFFAOYSA-N -1 3 244.747 2.344 20 0 BEADHM O=C1CCCN(Cc2occc2[S-])CC1 ZINC001237177568 979829408 /nfs/dbraw/zinc/82/94/08/979829408.db2.gz RJVGMPIEJRJVBW-UHFFFAOYSA-N -1 3 225.313 2.123 20 0 BEADHM O=C1CCCN(Cc2occc2[S-])C[C@H]1F ZINC001237182702 979832955 /nfs/dbraw/zinc/83/29/55/979832955.db2.gz UBJBVEGRIWGMDW-MRVPVSSYSA-N -1 3 243.303 2.071 20 0 BEADHM CC1(C)CN(Cc2occc2[S-])CCC1=O ZINC001237190958 979840112 /nfs/dbraw/zinc/84/01/12/979840112.db2.gz KXNPBPDQJZXSDW-UHFFFAOYSA-N -1 3 239.340 2.369 20 0 BEADHM [O-]c1cc(F)cc(CN2CC(C(F)F)C2)c1 ZINC001237286765 979862870 /nfs/dbraw/zinc/86/28/70/979862870.db2.gz KBUPYMADFGBGGF-UHFFFAOYSA-N -1 3 231.217 2.228 20 0 BEADHM CC(=O)[C@@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC001237286770 979864723 /nfs/dbraw/zinc/86/47/23/979864723.db2.gz KCTMTOZRSDXAIG-ZDUSSCGKSA-N -1 3 237.274 2.085 20 0 BEADHM CCNC(=O)Cc1cc(C)c([O-])c(Cl)c1 ZINC001250139650 979925484 /nfs/dbraw/zinc/92/54/84/979925484.db2.gz BTTCAVURPHWDES-UHFFFAOYSA-N -1 3 227.691 2.033 20 0 BEADHM Fc1cc(-c2cncs2)cc(-c2nnn[n-]2)c1 ZINC001241500477 1168469047 /nfs/dbraw/zinc/46/90/47/1168469047.db2.gz NTCWMBYSSQZBSO-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM Fc1cc(-c2cncs2)cc(-c2nn[n-]n2)c1 ZINC001241500477 1168469049 /nfs/dbraw/zinc/46/90/49/1168469049.db2.gz NTCWMBYSSQZBSO-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM Cc1ccc(-c2cccc([O-])c2F)nn1 ZINC001250518609 981339655 /nfs/dbraw/zinc/33/96/55/981339655.db2.gz AEVQIRRLJQRIQU-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM CC(C)(C)COC(=O)Nc1cncc([O-])c1 ZINC001194359917 981738740 /nfs/dbraw/zinc/73/87/40/981738740.db2.gz FGLFVUINMAJVSQ-UHFFFAOYSA-N -1 3 224.260 2.382 20 0 BEADHM O=C(Nc1ccc(F)c([O-])c1)OCCF ZINC001194963936 982003823 /nfs/dbraw/zinc/00/38/23/982003823.db2.gz OLYKEXCJBQIZFA-UHFFFAOYSA-N -1 3 217.171 2.049 20 0 BEADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)[N-]OC1CCCC1 ZINC000717699805 1168991451 /nfs/dbraw/zinc/99/14/51/1168991451.db2.gz FXTICFYVFMSCPV-SCVCMEIPSA-N -1 3 223.316 2.413 20 0 BEADHM Fc1cc(-c2nnn[n-]2)ccc1OC1CCCC1 ZINC000095152374 1169015745 /nfs/dbraw/zinc/01/57/45/1169015745.db2.gz OQWWYDYYKLALNN-UHFFFAOYSA-N -1 3 248.261 2.327 20 0 BEADHM Fc1cc(-c2nn[n-]n2)ccc1OC1CCCC1 ZINC000095152374 1169015753 /nfs/dbraw/zinc/01/57/53/1169015753.db2.gz OQWWYDYYKLALNN-UHFFFAOYSA-N -1 3 248.261 2.327 20 0 BEADHM Fc1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1 ZINC000095176164 1169017318 /nfs/dbraw/zinc/01/73/18/1169017318.db2.gz YAOTXRJOPZJVOD-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1 ZINC000095176164 1169017327 /nfs/dbraw/zinc/01/73/27/1169017327.db2.gz YAOTXRJOPZJVOD-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM CCC[C@H](CC)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095288333 1169021778 /nfs/dbraw/zinc/02/17/78/1169021778.db2.gz MTMUEIZFINLMFC-JTQLQIEISA-N -1 3 246.318 2.252 20 0 BEADHM CCC[C@H](CC)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095288333 1169021787 /nfs/dbraw/zinc/02/17/87/1169021787.db2.gz MTMUEIZFINLMFC-JTQLQIEISA-N -1 3 246.318 2.252 20 0 BEADHM CC[C@@H]([NH2+][C@H](C)c1cccc([O-])c1F)C(=O)[O-] ZINC001593606855 983316432 /nfs/dbraw/zinc/31/64/32/983316432.db2.gz ASJHPWKCXDNINF-VXNVDRBHSA-N -1 3 241.262 2.045 20 0 BEADHM CC(C)(C)NC(=O)Nc1ncc([O-])cc1Cl ZINC001202470703 983679190 /nfs/dbraw/zinc/67/91/90/983679190.db2.gz LCRXZZKUJJYHIO-UHFFFAOYSA-N -1 3 243.694 2.361 20 0 BEADHM CCCO[N-]C(=O)c1c(F)cc(F)cc1F ZINC000686769409 1169112997 /nfs/dbraw/zinc/11/29/97/1169112997.db2.gz BPJASFWDCZLOPF-UHFFFAOYSA-N -1 3 233.189 2.175 20 0 BEADHM CCN(C/C=C(/C)C(=O)[O-])Cc1occc1C ZINC001596299323 983723323 /nfs/dbraw/zinc/72/33/23/983723323.db2.gz BMQGQQBDUSPQJW-WZUFQYTHSA-N -1 3 237.299 2.441 20 0 BEADHM O=S(=O)([N-]c1cccc2occc21)C1CC1 ZINC001259276164 1169218712 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MGQGBAYNTAQEPZ-UHFFFAOYSA-N -1 3 239.225 2.456 20 0 BEADHM O=c1cc2[nH]cc(-c3cccc([O-])c3F)cc-2[nH]1 ZINC001243544917 970794145 /nfs/dbraw/zinc/79/41/45/970794145.db2.gz KEBPWYFGDRHCRL-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM [O-]c1cc(F)c(Nc2cnccn2)cc1F ZINC001215570854 970794402 /nfs/dbraw/zinc/79/44/02/970794402.db2.gz YGZRZNQJUCRMAZ-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM NC(=O)c1cccc(-c2cccc([O-])c2F)c1 ZINC001243547381 970798656 /nfs/dbraw/zinc/79/86/56/970798656.db2.gz QPDCGOPLOIVKSP-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM Cc1nc(Nc2c(F)ccc(C)c2O)cc(=O)[n-]1 ZINC001215738162 970824844 /nfs/dbraw/zinc/82/48/44/970824844.db2.gz ODRDQZVLIVOBDA-UHFFFAOYSA-N -1 3 249.245 2.387 20 0 BEADHM Cc1nonc1[N-]c1ccc(C)c2n[nH]cc21 ZINC001215755450 970832278 /nfs/dbraw/zinc/83/22/78/970832278.db2.gz QSODAFYRXICGJO-UHFFFAOYSA-N -1 3 229.243 2.306 20 0 BEADHM CCOc1ncc(-c2ccc([O-])cc2F)cn1 ZINC001206057441 970855587 /nfs/dbraw/zinc/85/55/87/970855587.db2.gz CODBBKQDCCDCHK-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM [O-]c1ccc(-c2cn3ccnc3cn2)c(F)c1 ZINC001206057599 970863738 /nfs/dbraw/zinc/86/37/38/970863738.db2.gz GJTVMLMBJDQWNF-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM CCc1cc(Nc2cc(=O)[n-]c(C)n2)ccc1N ZINC001216035873 970910774 /nfs/dbraw/zinc/91/07/74/970910774.db2.gz BQERDAIRCZKHBE-UHFFFAOYSA-N -1 3 244.298 2.379 20 0 BEADHM O=C([O-])CN(CC=C(Cl)Cl)CC1CC1 ZINC000403350116 970917111 /nfs/dbraw/zinc/91/71/11/970917111.db2.gz VZIJCRMMZHGBSF-UHFFFAOYSA-N -1 3 238.114 2.102 20 0 BEADHM Cc1cc(Nc2cnc[n-]c2=O)cc(O)c1F ZINC001216079779 970929034 /nfs/dbraw/zinc/92/90/34/970929034.db2.gz UHYDQGHTPJIZEL-UHFFFAOYSA-N -1 3 235.218 2.079 20 0 BEADHM CC(C)CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000095149741 944612798 /nfs/dbraw/zinc/61/27/98/944612798.db2.gz FLTOLPNTCCWRRX-UHFFFAOYSA-N -1 3 232.287 2.292 20 0 BEADHM CC(C)C[C@H](C)Nc1cc(-c2nnn[n-]2)ccn1 ZINC000103584736 944621074 /nfs/dbraw/zinc/62/10/74/944621074.db2.gz ONNLNLXANMDCHV-VIFPVBQESA-N -1 3 246.318 2.108 20 0 BEADHM CC(C)C[C@H](C)Nc1cc(-c2nn[n-]n2)ccn1 ZINC000103584736 944621078 /nfs/dbraw/zinc/62/10/78/944621078.db2.gz ONNLNLXANMDCHV-VIFPVBQESA-N -1 3 246.318 2.108 20 0 BEADHM Cc1noc2ccc(Nc3cnc[n-]c3=O)cc12 ZINC001216638591 971143310 /nfs/dbraw/zinc/14/33/10/971143310.db2.gz NGDCKRWXPVLZOK-UHFFFAOYSA-N -1 3 242.238 2.375 20 0 BEADHM Cc1cc(-c2cncn2C)cc([O-])c1F ZINC001244519367 971322502 /nfs/dbraw/zinc/32/25/02/971322502.db2.gz ZHNJXOGSGZKXHT-UHFFFAOYSA-N -1 3 206.220 2.240 20 0 BEADHM Cc1ncccc1CC(=O)[N-]OC1CCCCC1 ZINC001257463503 971385944 /nfs/dbraw/zinc/38/59/44/971385944.db2.gz BSIBMYFTKPXTOA-UHFFFAOYSA-N -1 3 248.326 2.313 20 0 BEADHM Cc1cc(O[C@H](C)c2cnccn2)[n-]c(=S)n1 ZINC001226798823 1169609846 /nfs/dbraw/zinc/60/98/46/1169609846.db2.gz LRWUHYJOUPNGKM-MRVPVSSYSA-N -1 3 248.311 2.004 20 0 BEADHM NC(=O)c1ccnc(-c2ccc([O-])cc2Cl)c1 ZINC001245082095 971626575 /nfs/dbraw/zinc/62/65/75/971626575.db2.gz SOIQGLTUOBHSNI-UHFFFAOYSA-N -1 3 248.669 2.207 20 0 BEADHM CC(F)(F)CCNCc1cc(C(=O)[O-])co1 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/nfs/dbraw/zinc/18/27/96/967182796.db2.gz KSBAMEIWNOPLEJ-UHFFFAOYSA-N -1 3 212.256 2.434 20 0 BEADHM Cn1ccnc1Nc1cc([O-])c(F)c(F)c1F ZINC001249958453 967201823 /nfs/dbraw/zinc/20/18/23/967201823.db2.gz NZGLHLZYFJBPCG-UHFFFAOYSA-N -1 3 243.188 2.287 20 0 BEADHM CC(C)OC(=O)Cc1cccc([O-])c1F ZINC001250088158 967354256 /nfs/dbraw/zinc/35/42/56/967354256.db2.gz CETYEWUPEKMOLY-UHFFFAOYSA-N -1 3 212.220 2.025 20 0 BEADHM CC(C)OC(=O)Cc1c([O-])cccc1F ZINC001250091733 967361223 /nfs/dbraw/zinc/36/12/23/967361223.db2.gz ZZMDRDXBLWYBKL-UHFFFAOYSA-N -1 3 212.220 2.025 20 0 BEADHM O=c1cc[nH]cc1Nc1cc(F)cc(F)c1[O-] ZINC001212484075 967488959 /nfs/dbraw/zinc/48/89/59/967488959.db2.gz IYLCUJWZBAHLJT-UHFFFAOYSA-N -1 3 238.193 2.102 20 0 BEADHM CC1(C)OC[C@@H](Cc2ccc(F)c([O-])c2)O1 ZINC001250185260 967491317 /nfs/dbraw/zinc/49/13/17/967491317.db2.gz LFVZOCLNSZXNAK-SECBINFHSA-N -1 3 226.247 2.225 20 0 BEADHM CC[C@H](C)Nc1ccccc1-c1nnn[n-]1 ZINC000095275411 967565732 /nfs/dbraw/zinc/56/57/32/967565732.db2.gz ZAQYKBBYLGZRRT-QMMMGPOBSA-N -1 3 217.276 2.077 20 0 BEADHM CC[C@H](C)Nc1ccccc1-c1nn[n-]n1 ZINC000095275411 967565747 /nfs/dbraw/zinc/56/57/47/967565747.db2.gz ZAQYKBBYLGZRRT-QMMMGPOBSA-N -1 3 217.276 2.077 20 0 BEADHM NC(=O)CCCCCc1ccc([O-])c(F)c1F ZINC001250272191 967594218 /nfs/dbraw/zinc/59/42/18/967594218.db2.gz IWBSHQYBOYEATK-UHFFFAOYSA-N -1 3 243.253 2.259 20 0 BEADHM COC(=O)c1cccnc1-c1ccc([O-])cc1F ZINC001206021889 967981525 /nfs/dbraw/zinc/98/15/25/967981525.db2.gz SNPZCOVAOWKMKQ-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM Cn1cnc2ccnc(-c3ccc([O-])cc3F)c21 ZINC001206030263 967989557 /nfs/dbraw/zinc/98/95/57/967989557.db2.gz SGLSMQDMOBDCOR-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM Nc1cnc(-c2ccc([O-])cc2F)c(F)c1 ZINC001206030233 967993903 /nfs/dbraw/zinc/99/39/03/967993903.db2.gz QSVJZALNWSVOKB-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM Nc1cc(-c2ccc([O-])cc2F)ncc1F ZINC001206037516 968000488 /nfs/dbraw/zinc/00/04/88/968000488.db2.gz JTCJNVSTPAERDM-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM Cc1noc2ncnc(-c3ccc([O-])cc3F)c12 ZINC001206043985 968005786 /nfs/dbraw/zinc/00/57/86/968005786.db2.gz ATYLPBLVDPTMTJ-UHFFFAOYSA-N -1 3 245.213 2.438 20 0 BEADHM COCc1nc(C)cc(-c2ccc([O-])cc2F)n1 ZINC001206044633 968009607 /nfs/dbraw/zinc/00/96/07/968009607.db2.gz QFGLYZLXYRHPGH-UHFFFAOYSA-N -1 3 248.257 2.443 20 0 BEADHM COc1c(C)ncnc1-c1ccc([O-])cc1F ZINC001206044453 968009861 /nfs/dbraw/zinc/00/98/61/968009861.db2.gz MASKRASQOIDHIA-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM [O-]c1ccc(-c2cnc(F)nc2)c(F)c1 ZINC001206051632 968020291 /nfs/dbraw/zinc/02/02/91/968020291.db2.gz NBKNIXFNKXLGRQ-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM [O-]c1ccc(-c2nccn3ccnc23)c(F)c1 ZINC001206065060 968035447 /nfs/dbraw/zinc/03/54/47/968035447.db2.gz ZXOMEJTUINRJAY-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cc1cc(-c2ccc([O-])cc2F)cnc1C(N)=O ZINC001206088612 968055981 /nfs/dbraw/zinc/05/59/81/968055981.db2.gz OYKDWJLVPSIGEJ-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM CC(=O)c1ccc2[n-]c(-c3ncco3)nc2c1 ZINC001250924243 968218734 /nfs/dbraw/zinc/21/87/34/968218734.db2.gz OOEYKGXTAGPQLY-UHFFFAOYSA-N -1 3 227.223 2.421 20 0 BEADHM CC(=O)c1ccc2nc(-c3ncco3)[n-]c2c1 ZINC001250924243 968218740 /nfs/dbraw/zinc/21/87/40/968218740.db2.gz OOEYKGXTAGPQLY-UHFFFAOYSA-N -1 3 227.223 2.421 20 0 BEADHM Cc1cnc(CNC(C)(C)CCC(=O)[O-])s1 ZINC001119536045 968405326 /nfs/dbraw/zinc/40/53/26/968405326.db2.gz FPBMVRAQLWTOHT-UHFFFAOYSA-N -1 3 242.344 2.185 20 0 BEADHM [O-]c1ccc(-c2ccnc3[nH]cnc32)cc1F ZINC001240787216 968691793 /nfs/dbraw/zinc/69/17/93/968691793.db2.gz RQYPURFXAXDHRJ-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM CCC[C@@H](O)CNc1ccnc(Cl)c1[O-] ZINC001252777433 968949225 /nfs/dbraw/zinc/94/92/25/968949225.db2.gz FFFVGOXOKVOVAH-SSDOTTSWSA-N -1 3 230.695 2.014 20 0 BEADHM Cc1cccc([O-])c1C(=O)NCCc1ccco1 ZINC000706619496 968961807 /nfs/dbraw/zinc/96/18/07/968961807.db2.gz QUGMHFKCXGGCPV-UHFFFAOYSA-N -1 3 245.278 2.266 20 0 BEADHM CCC[C@@H](O)CNc1cc(F)c([O-])c(F)c1 ZINC001252792853 968973558 /nfs/dbraw/zinc/97/35/58/968973558.db2.gz KPDIYUFQAAVHQS-MRVPVSSYSA-N -1 3 231.242 2.243 20 0 BEADHM Cc1nnc(-c2ccc([O-])c3ncccc23)o1 ZINC001253386911 969151352 /nfs/dbraw/zinc/15/13/52/969151352.db2.gz HKUOMAHITCCRTI-UHFFFAOYSA-N -1 3 227.223 2.299 20 0 BEADHM CN(C)c1ncc(-c2ccc(F)cc2[O-])cn1 ZINC001242217746 969320564 /nfs/dbraw/zinc/32/05/64/969320564.db2.gz KRSIMCHOOGFNJT-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM CCc1cncc(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001209166415 969369757 /nfs/dbraw/zinc/36/97/57/969369757.db2.gz OAPHOTXDXHPEGB-UHFFFAOYSA-N -1 3 248.311 2.172 20 0 BEADHM NC(=O)Cc1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242220712 969385294 /nfs/dbraw/zinc/38/52/94/969385294.db2.gz MHZSXWNZXFYADN-UHFFFAOYSA-N -1 3 245.253 2.226 20 0 BEADHM CCCc1nnc(-c2c([O-])cccc2O)o1 ZINC001253938265 969424937 /nfs/dbraw/zinc/42/49/37/969424937.db2.gz BQAWOXCZOVPENR-UHFFFAOYSA-N -1 3 220.228 2.100 20 0 BEADHM [O-]c1ccc(Cc2nnc(C3CC3)o2)c(F)c1 ZINC001254077915 969480843 /nfs/dbraw/zinc/48/08/43/969480843.db2.gz PGUREFUOLWSJAD-UHFFFAOYSA-N -1 3 234.230 2.383 20 0 BEADHM Cc1cc(O)cc([O-])c1-c1nnc(C2CC2)o1 ZINC001254126216 969517432 /nfs/dbraw/zinc/51/74/32/969517432.db2.gz LIFSSFQFYCEWFP-UHFFFAOYSA-N -1 3 232.239 2.334 20 0 BEADHM O=c1cc(Nc2ccc(Cl)c([O-])c2)cn[nH]1 ZINC001212590359 969636434 /nfs/dbraw/zinc/63/64/34/969636434.db2.gz IXDYMAGFZKLNBX-UHFFFAOYSA-N -1 3 237.646 2.285 20 0 BEADHM COc1ccc(C)c([N-]c2nnc(C)o2)c1 ZINC001209837583 969648847 /nfs/dbraw/zinc/64/88/47/969648847.db2.gz IOAGONMEWDZFNR-UHFFFAOYSA-N -1 3 219.244 2.439 20 0 BEADHM Cc1nc(Nc2ccccc2N(C)C)cc(=O)[n-]1 ZINC001209988221 969749159 /nfs/dbraw/zinc/74/91/59/969749159.db2.gz SFHSYBLCYGBNEJ-UHFFFAOYSA-N -1 3 244.298 2.300 20 0 BEADHM [O-]c1cccnc1CNc1cccc2c1COC2 ZINC001169732533 969836579 /nfs/dbraw/zinc/83/65/79/969836579.db2.gz KQOAXZVEXJAXAI-UHFFFAOYSA-N -1 3 242.278 2.430 20 0 BEADHM Cc1cc(NCc2ncccc2[O-])cc(F)n1 ZINC001169732518 969836676 /nfs/dbraw/zinc/83/66/76/969836676.db2.gz ZQBKDRPUCUVHIC-UHFFFAOYSA-N -1 3 233.246 2.242 20 0 BEADHM CCc1cccc(NCc2ncccc2[O-])n1 ZINC001169732553 969837400 /nfs/dbraw/zinc/83/74/00/969837400.db2.gz LJAKVGTXTLHLID-UHFFFAOYSA-N -1 3 229.283 2.357 20 0 BEADHM CCc1nnc(-c2cccc(OC)c2[O-])o1 ZINC001255060993 969865649 /nfs/dbraw/zinc/86/56/49/969865649.db2.gz IZWLVXYVKBPBCZ-UHFFFAOYSA-N -1 3 220.228 2.013 20 0 BEADHM COc1c(F)cccc1[N-]c1nonc1C ZINC001210405142 969884120 /nfs/dbraw/zinc/88/41/20/969884120.db2.gz ZDAFYPSGKDCEAB-UHFFFAOYSA-N -1 3 223.207 2.269 20 0 BEADHM Cc1ncc(Nc2cccc([C@H](C)O)c2)c(=O)[n-]1 ZINC001210508209 969919515 /nfs/dbraw/zinc/91/95/15/969919515.db2.gz KUCDVFRLOXJDRA-QMMMGPOBSA-N -1 3 245.282 2.288 20 0 BEADHM Cc1nc(Nc2ccc3ocnc3c2)cc(=O)[n-]1 ZINC001210570701 969947748 /nfs/dbraw/zinc/94/77/48/969947748.db2.gz TTWQHNGPXOOQFQ-UHFFFAOYSA-N -1 3 242.238 2.375 20 0 BEADHM Cc1ncc(Nc2ccc([C@@H](C)O)cc2)c(=O)[n-]1 ZINC001210645975 969990449 /nfs/dbraw/zinc/99/04/49/969990449.db2.gz LNFBFHFTJZJSOF-MRVPVSSYSA-N -1 3 245.282 2.288 20 0 BEADHM O=c1cc[nH]cc1Nc1cccc([O-])c1Cl ZINC001210854837 970050245 /nfs/dbraw/zinc/05/02/45/970050245.db2.gz BAUCQHHSOHSVRB-UHFFFAOYSA-N -1 3 236.658 2.478 20 0 BEADHM COc1nonc1[N-]c1ccccc1OC1CC1 ZINC001210834881 970050618 /nfs/dbraw/zinc/05/06/18/970050618.db2.gz GACHMOFUNNKVIB-UHFFFAOYSA-N -1 3 247.254 2.363 20 0 BEADHM Cc1ncc(Nc2c[nH]c3ncccc23)c(=O)[n-]1 ZINC001210939531 970077666 /nfs/dbraw/zinc/07/76/66/970077666.db2.gz HRAOVYKTAWSEAX-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM Cc1ccc(-c2ccccc2-c2nnn[n-]2)nc1 ZINC001242905962 970139538 /nfs/dbraw/zinc/13/95/38/970139538.db2.gz RVSOJTQXUSDBOX-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1ccc(-c2ccccc2-c2nn[n-]n2)nc1 ZINC001242905962 970139543 /nfs/dbraw/zinc/13/95/43/970139543.db2.gz RVSOJTQXUSDBOX-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1nsc([N-]c2cccc(CO)c2F)n1 ZINC001211426454 970260717 /nfs/dbraw/zinc/26/07/17/970260717.db2.gz LBFDZJFVHYLKKT-UHFFFAOYSA-N -1 3 239.275 2.222 20 0 BEADHM Cc1ccc(-c2nnc([C@@H]3CCOC3)o2)c([O-])c1 ZINC001255511975 970278163 /nfs/dbraw/zinc/27/81/63/970278163.db2.gz YWIBXEHHVISIHU-SECBINFHSA-N -1 3 246.266 2.255 20 0 BEADHM Cc1cc(C)c(Nc2cc(=O)[n-]c(=S)[nH]2)cn1 ZINC001213506025 970329675 /nfs/dbraw/zinc/32/96/75/970329675.db2.gz YXDBOSGUTUMJJN-UHFFFAOYSA-N -1 3 248.311 2.226 20 0 BEADHM Cc1ccc(Nc2cc(=O)[n-]c(C)n2)c(N)c1 ZINC001214178160 970451800 /nfs/dbraw/zinc/45/18/00/970451800.db2.gz VTHHYBMJOBANNJ-UHFFFAOYSA-N -1 3 230.271 2.125 20 0 BEADHM CC(=O)c1cc(Nc2cc(=O)[n-]c(C)n2)cs1 ZINC001214773835 970534825 /nfs/dbraw/zinc/53/48/25/970534825.db2.gz VJZKEMRHLHMPEX-UHFFFAOYSA-N -1 3 249.295 2.498 20 0 BEADHM COC(=O)c1ccc(-c2ccc([O-])cc2F)cn1 ZINC001206051960 970746527 /nfs/dbraw/zinc/74/65/27/970746527.db2.gz UOJXPXPJHBIPRQ-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM C[C@]1(C(=O)Nc2ncccc2[O-])C[C@@H]2C=C[C@H]1C2 ZINC001144273909 972734087 /nfs/dbraw/zinc/73/40/87/972734087.db2.gz VLTYNCQUOZAVPU-BFVZDQMLSA-N -1 3 244.294 2.328 20 0 BEADHM CCCO[N-]C(=O)CCc1cccnc1Cl ZINC001328557982 973138744 /nfs/dbraw/zinc/13/87/44/973138744.db2.gz ZVXQYRFBQVTMCU-UHFFFAOYSA-N -1 3 242.706 2.125 20 0 BEADHM Cc1oc(CN2C3CCC2CC3)cc1C(=O)[O-] ZINC000399497230 973222655 /nfs/dbraw/zinc/22/26/55/973222655.db2.gz BXNLKOGMSTWIHL-UHFFFAOYSA-N -1 3 235.283 2.413 20 0 BEADHM O=C(Nc1ccc(F)c([O-])c1)c1cc[nH]c1 ZINC001146885682 973316980 /nfs/dbraw/zinc/31/69/80/973316980.db2.gz WIZXHNIVBBMZKI-UHFFFAOYSA-N -1 3 220.203 2.112 20 0 BEADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccnnc1 ZINC001147201540 973458090 /nfs/dbraw/zinc/45/80/90/973458090.db2.gz QKZDYFOPLCOEHW-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM CCN(CC=C(Cl)Cl)C(C)(C)C(=O)[O-] ZINC000403320586 973672699 /nfs/dbraw/zinc/67/26/99/973672699.db2.gz KERXCGWQACRHHP-UHFFFAOYSA-N -1 3 240.130 2.491 20 0 BEADHM Cc1ccc(C(=O)Nc2ccc[nH]2)c([O-])c1 ZINC001148492284 973851286 /nfs/dbraw/zinc/85/12/86/973851286.db2.gz KHHLWVHQUHVHPW-UHFFFAOYSA-N -1 3 216.240 2.281 20 0 BEADHM Cc1ccc(C(=O)NC[C@H]2C[C@H](F)C2)c([O-])c1 ZINC001148506240 973853120 /nfs/dbraw/zinc/85/31/20/973853120.db2.gz YLRPNJCGMMYSHL-MGCOHNPYSA-N -1 3 237.274 2.179 20 0 BEADHM CC(C)CO[N-]C(=O)C[C@H]1Cc2ccccc2O1 ZINC001330685175 974411230 /nfs/dbraw/zinc/41/12/30/974411230.db2.gz BETRCZQFKBEKEC-GFCCVEGCSA-N -1 3 249.310 2.084 20 0 BEADHM C[C@H]1C[C@@H](Oc2ccc3c([O-])coc3c2)CCO1 ZINC001225340376 974419417 /nfs/dbraw/zinc/41/94/17/974419417.db2.gz KOTDOFCPAZWBPB-ONGXEEELSA-N -1 3 248.278 2.208 20 0 BEADHM CON(C(=O)c1cc(C)ccc1[O-])C(C)C ZINC001330706352 974433878 /nfs/dbraw/zinc/43/38/78/974433878.db2.gz WBDLYXKQTZSBQG-UHFFFAOYSA-N -1 3 223.272 2.113 20 0 BEADHM Cc1cnc(=S)[n-]c1OC[C@H]1CCCCO1 ZINC001225742885 974664962 /nfs/dbraw/zinc/66/49/62/974664962.db2.gz QKJNFGOMJOLYSL-SECBINFHSA-N -1 3 240.328 2.022 20 0 BEADHM FC(F)(F)c1cc(OC2CC2)nc(=S)[n-]1 ZINC001225852343 974704438 /nfs/dbraw/zinc/70/44/38/974704438.db2.gz GPECXRQQSBHIFI-UHFFFAOYSA-N -1 3 236.218 2.325 20 0 BEADHM Cc1ccc([C@H](C)Oc2nc[n-]c(=O)c2C)cn1 ZINC001226074575 974778235 /nfs/dbraw/zinc/77/82/35/974778235.db2.gz CNMDXFXPYZEMLY-JTQLQIEISA-N -1 3 245.282 2.334 20 0 BEADHM CC[C@H](C)[C@H](C)Oc1nc[n-]c(=O)c1C ZINC001226077802 974779595 /nfs/dbraw/zinc/77/95/95/974779595.db2.gz WVKXJXDQNMCUDB-CBAPKCEASA-N -1 3 210.277 2.304 20 0 BEADHM Cc1c(O[C@@H](C)c2ccccn2)nc[n-]c1=O ZINC001226077696 974780255 /nfs/dbraw/zinc/78/02/55/974780255.db2.gz URRHHYVLNLNSBC-VIFPVBQESA-N -1 3 231.255 2.026 20 0 BEADHM CC[C@H](Oc1nc[n-]c(=O)c1C)C(C)C ZINC001226077757 974780514 /nfs/dbraw/zinc/78/05/14/974780514.db2.gz VWVISMXEQHIHQH-VIFPVBQESA-N -1 3 210.277 2.304 20 0 BEADHM Cc1c(O[C@H](C)c2ccccn2)nc[n-]c1=O ZINC001226077695 974780612 /nfs/dbraw/zinc/78/06/12/974780612.db2.gz URRHHYVLNLNSBC-SECBINFHSA-N -1 3 231.255 2.026 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@H](C)c1ccc(F)cc1 ZINC001226460970 974910999 /nfs/dbraw/zinc/91/09/99/974910999.db2.gz ILHAERYMNQKOMU-MRVPVSSYSA-N -1 3 249.245 2.165 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@@H]1C[C@@H](C)CC[C@H]1C ZINC001226461840 974913427 /nfs/dbraw/zinc/91/34/27/974913427.db2.gz WTQYJNZJESLMHX-QXFUBDJGSA-N -1 3 237.303 2.089 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@H](C)CCCC(C)C ZINC001226464337 974914176 /nfs/dbraw/zinc/91/41/76/974914176.db2.gz OJLCKUQKHDRDII-SECBINFHSA-N -1 3 239.319 2.479 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001226461676 974914997 /nfs/dbraw/zinc/91/49/97/974914997.db2.gz TZGNXMHDUGSISO-MBTKJCJQSA-N -1 3 237.303 2.089 20 0 BEADHM C/C(=C/c1ccccc1)CNC[C@H](F)C(=O)[O-] ZINC001331994292 974915614 /nfs/dbraw/zinc/91/56/14/974915614.db2.gz GSFZHLXIDXZUGQ-UMAGTOLTSA-N -1 3 237.274 2.102 20 0 BEADHM CCc1nc(O[C@H]2CCC[C@@H]2C)cc(=O)[n-]1 ZINC001226473520 974919500 /nfs/dbraw/zinc/91/95/00/974919500.db2.gz YXVGZYYYDNPUKJ-IUCAKERBSA-N -1 3 222.288 2.312 20 0 BEADHM CCc1nc(O[C@H](C)c2ccco2)cc(=O)[n-]1 ZINC001226473768 974920087 /nfs/dbraw/zinc/92/00/87/974920087.db2.gz BUGLYCZGXXMRHI-MRVPVSSYSA-N -1 3 234.255 2.478 20 0 BEADHM C/C(=C\c1ccccc1)CNC[C@@H](F)C(=O)[O-] ZINC001332017114 974924898 /nfs/dbraw/zinc/92/48/98/974924898.db2.gz GSFZHLXIDXZUGQ-OFFHKIPUSA-N -1 3 237.274 2.102 20 0 BEADHM Cc1nc(O[C@@H]2CCC[C@@H]2C)cc(=O)[n-]1 ZINC001226511283 974926747 /nfs/dbraw/zinc/92/67/47/974926747.db2.gz VZDCLLBGWUNAFE-IONNQARKSA-N -1 3 208.261 2.058 20 0 BEADHM CC[C@@H](C)[C@@H](C)Oc1cc(=O)[n-]c(C)n1 ZINC001226511293 974932830 /nfs/dbraw/zinc/93/28/30/974932830.db2.gz WEXXHCYAPIDNQQ-HTQZYQBOSA-N -1 3 210.277 2.304 20 0 BEADHM Cc1nc(O[C@@H](C)c2ccncc2)cc(=O)[n-]1 ZINC001226511405 974933496 /nfs/dbraw/zinc/93/34/96/974933496.db2.gz YVJKZJBANXEWHP-QMMMGPOBSA-N -1 3 231.255 2.026 20 0 BEADHM CCOC(=O)[C@H](C)Oc1cccc([O-])c1Cl ZINC001226712183 975045527 /nfs/dbraw/zinc/04/55/27/975045527.db2.gz PUIPHFJKXNYSLE-ZETCQYMHSA-N -1 3 244.674 2.376 20 0 BEADHM [O-]c1cccc(OC[C@H]2CCO2)c1Cl ZINC001226711629 975045778 /nfs/dbraw/zinc/04/57/78/975045778.db2.gz KTRGAGPXZNMCEB-SSDOTTSWSA-N -1 3 214.648 2.213 20 0 BEADHM COc1cccc2c1C[C@H](N[C@H]1[CH]CC=C1)CO2 ZINC001173160693 975048739 /nfs/dbraw/zinc/04/87/39/975048739.db2.gz MCFBGHKXDPWFKV-NEPJUHHUSA-N -1 3 244.314 2.121 20 0 BEADHM C[C@@H](Oc1ccnc(=S)[n-]1)c1ccccn1 ZINC001226940354 975167638 /nfs/dbraw/zinc/16/76/38/975167638.db2.gz PURSSTXFPRIBJT-MRVPVSSYSA-N -1 3 233.296 2.300 20 0 BEADHM C[C@@H](Oc1cc(=O)[n-]cn1)c1cccc(F)c1 ZINC001226945501 975173982 /nfs/dbraw/zinc/17/39/82/975173982.db2.gz WJZGMNTVXUZBQZ-MRVPVSSYSA-N -1 3 234.230 2.461 20 0 BEADHM C[C@H](COc1cc(=O)[n-]cn1)Oc1ccccc1 ZINC001226945242 975174073 /nfs/dbraw/zinc/17/40/73/975174073.db2.gz RDRGCJVQIVPJPD-SNVBAGLBSA-N -1 3 246.266 2.029 20 0 BEADHM Cc1ccc([C@H](C)Oc2cc(=O)[n-]cn2)cn1 ZINC001226945483 975177298 /nfs/dbraw/zinc/17/72/98/975177298.db2.gz VZVTWCMUHYRMRW-VIFPVBQESA-N -1 3 231.255 2.026 20 0 BEADHM O=c1cc(O[C@@H]2CCc3cc(F)ccc32)nc[n-]1 ZINC001226945230 975178159 /nfs/dbraw/zinc/17/81/59/975178159.db2.gz RCCJMBQKJSSKPO-LLVKDONJSA-N -1 3 246.241 2.388 20 0 BEADHM CC(C)[C@H](Oc1cnc[n-]c1=O)C(F)(F)F ZINC001227048205 975233927 /nfs/dbraw/zinc/23/39/27/975233927.db2.gz AQHBBENHTHQPRG-ZETCQYMHSA-N -1 3 236.193 2.148 20 0 BEADHM C[C@@H](Oc1ccc(=O)[n-]n1)C1CCCC1 ZINC001227093113 975261966 /nfs/dbraw/zinc/26/19/66/975261966.db2.gz GQNJOXOEYJDFRK-MRVPVSSYSA-N -1 3 208.261 2.140 20 0 BEADHM O=c1ccc(O[C@@H]2CC3CCC2CC3)n[n-]1 ZINC001227092541 975264097 /nfs/dbraw/zinc/26/40/97/975264097.db2.gz BOEWPVGTDAQASV-UDNWOFFPSA-N -1 3 220.272 2.140 20 0 BEADHM C[C@@H](Cc1ccccc1)Oc1ccc(=O)[n-]n1 ZINC001227094548 975270097 /nfs/dbraw/zinc/27/00/97/975270097.db2.gz HNPJJYUQQLVPOF-JTQLQIEISA-N -1 3 230.267 2.192 20 0 BEADHM O=c1ccc(O[C@@H]2CCC=CCCC2)n[n-]1 ZINC001227094047 975270292 /nfs/dbraw/zinc/27/02/92/975270292.db2.gz ZBNQWLBXXIGLQM-SNVBAGLBSA-N -1 3 220.272 2.450 20 0 BEADHM CCC[C@@H](Oc1ccc(=O)[n-]n1)C(C)C ZINC001227095086 975270841 /nfs/dbraw/zinc/27/08/41/975270841.db2.gz MLDGDMNNLIYYDS-SECBINFHSA-N -1 3 210.277 2.386 20 0 BEADHM O=c1ccc(OC2CCCCCC2)n[n-]1 ZINC001227095112 975270857 /nfs/dbraw/zinc/27/08/57/975270857.db2.gz MXVFRCRCLXLPJG-UHFFFAOYSA-N -1 3 208.261 2.284 20 0 BEADHM Cc1cc(CO)cc(Nc2cnc(C)[n-]c2=O)c1 ZINC001212754304 975528189 /nfs/dbraw/zinc/52/81/89/975528189.db2.gz NZORXHPVXQLQAR-UHFFFAOYSA-N -1 3 245.282 2.035 20 0 BEADHM C=Cc1c[n-]c(=O)nc1O[C@@H]1CC[C@@H](C)C1 ZINC001227714576 975639187 /nfs/dbraw/zinc/63/91/87/975639187.db2.gz YNDCMDPHYDNDNS-PSASIEDQSA-N -1 3 220.272 2.393 20 0 BEADHM O=c1cc(Nc2ccc(F)cc2)[nH]c(=S)[n-]1 ZINC001173798180 975639747 /nfs/dbraw/zinc/63/97/47/975639747.db2.gz IXCFNEOHSCCSDB-UHFFFAOYSA-N -1 3 237.259 2.354 20 0 BEADHM C=Cc1c[n-]c(=O)nc1O[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001227712873 975640668 /nfs/dbraw/zinc/64/06/68/975640668.db2.gz HLHZMPUFBKXLPU-JMJZKYOTSA-N -1 3 232.283 2.393 20 0 BEADHM C=Cc1c[n-]c(=O)nc1O[C@H]1CCCC[C@@H]1F ZINC001227717991 975651629 /nfs/dbraw/zinc/65/16/29/975651629.db2.gz OHKIUJSBRJLPLP-UWVGGRQHSA-N -1 3 238.262 2.485 20 0 BEADHM NC(=O)c1ccc(Nc2ccc(F)cc2)cc1[O-] ZINC001173800583 975663929 /nfs/dbraw/zinc/66/39/29/975663929.db2.gz JFUNNNZGSAWWQU-UHFFFAOYSA-N -1 3 246.241 2.374 20 0 BEADHM CC(C)(C)c1n[nH]cc1C=Cc1nccc(=O)[n-]1 ZINC001333357031 975704236 /nfs/dbraw/zinc/70/42/36/975704236.db2.gz KDFPSXSSYQOZHV-PLNGDYQASA-N -1 3 244.298 2.373 20 0 BEADHM O=c1cc(Nc2ccccc2F)[nH]c(=S)[n-]1 ZINC001173845429 975730471 /nfs/dbraw/zinc/73/04/71/975730471.db2.gz BDTWROPEMWQDRK-UHFFFAOYSA-N -1 3 237.259 2.354 20 0 BEADHM C[C@H]1COCC[C@H]1Oc1ncc(Cl)cc1[O-] ZINC001227982591 975824317 /nfs/dbraw/zinc/82/43/17/975824317.db2.gz DQBLBJQGKRNGOT-OIBJUYFYSA-N -1 3 243.690 2.244 20 0 BEADHM CC[C@@H](COc1ncc(Cl)cc1[O-])OC ZINC001227982605 975824960 /nfs/dbraw/zinc/82/49/60/975824960.db2.gz DYHDGAVUUPZQIZ-QMMMGPOBSA-N -1 3 231.679 2.244 20 0 BEADHM C[C@@H]1C[C@H](Oc2ncc(Cl)cc2[O-])CCO1 ZINC001227983272 975829146 /nfs/dbraw/zinc/82/91/46/975829146.db2.gz MLNLVXBGJDZEMX-VXNVDRBHSA-N -1 3 243.690 2.387 20 0 BEADHM CC(=O)c1cccc(Nc2cnc(C)[n-]c2=O)c1 ZINC001173902507 975889132 /nfs/dbraw/zinc/88/91/32/975889132.db2.gz IMEOBYJZEDLXCG-UHFFFAOYSA-N -1 3 243.266 2.437 20 0 BEADHM COc1cccc(OC)c1[N-]c1nonc1C ZINC001173921145 975899502 /nfs/dbraw/zinc/89/95/02/975899502.db2.gz HIXXDCVOCWDQMH-UHFFFAOYSA-N -1 3 235.243 2.139 20 0 BEADHM CN(C)C(=O)c1cccc(Nc2ccoc2)c1[O-] ZINC001173935766 976068538 /nfs/dbraw/zinc/06/85/38/976068538.db2.gz GCPRYCNULBIKIL-UHFFFAOYSA-N -1 3 246.266 2.431 20 0 BEADHM COc1ccc(F)cc1Nc1cc(=O)[n-]c(C)n1 ZINC001173954465 976116622 /nfs/dbraw/zinc/11/66/22/976116622.db2.gz ASPQHFLXMDVGHD-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM O=C([O-])CC1(NCc2nccs2)CCCC1 ZINC001334015404 976218474 /nfs/dbraw/zinc/21/84/74/976218474.db2.gz FIZJOKQHXCGJJJ-UHFFFAOYSA-N -1 3 240.328 2.020 20 0 BEADHM CCOC(=O)c1cnoc1[N-]c1cnccc1C ZINC001174115593 976329372 /nfs/dbraw/zinc/32/93/72/976329372.db2.gz KHBCIQGAEDISTQ-UHFFFAOYSA-N -1 3 247.254 2.298 20 0 BEADHM C[C@H]1CC[C@@H](Oc2nnc(-c3cccnc3)[n-]2)C1 ZINC001228695887 976437909 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/nfs/dbraw/zinc/44/33/60/976443360.db2.gz KNRVUNNNURUYRY-SECBINFHSA-N -1 3 232.287 2.434 20 0 BEADHM O=C1CCc2cc([O-])c(OC[C@@H]3CCCO3)cc21 ZINC001228854276 976538421 /nfs/dbraw/zinc/53/84/21/976538421.db2.gz QGFULVFQQRQGKN-JTQLQIEISA-N -1 3 248.278 2.079 20 0 BEADHM Cc1ncc(Nc2cnc3[nH]ccc3c2)c(=O)[n-]1 ZINC001174395753 976587825 /nfs/dbraw/zinc/58/78/25/976587825.db2.gz CAFCOISPFWWEMW-UHFFFAOYSA-N -1 3 241.254 2.062 20 0 BEADHM Cc1ncc(Nc2ccnc3[nH]ccc32)c(=O)[n-]1 ZINC001174410716 976693665 /nfs/dbraw/zinc/69/36/65/976693665.db2.gz OCQJLOLSBTWAGD-UHFFFAOYSA-N -1 3 241.254 2.062 20 0 BEADHM CCOc1ncccc1Nc1ncc(F)cc1[O-] ZINC001174457438 976735710 /nfs/dbraw/zinc/73/57/10/976735710.db2.gz YUFWTVQAMSNEKC-UHFFFAOYSA-N -1 3 249.245 2.464 20 0 BEADHM Cc1coc(CN[C@H]2C=CC[C@H](C(=O)[O-])C2)c1 ZINC001334841460 976738752 /nfs/dbraw/zinc/73/87/52/976738752.db2.gz NEWFKHFLUGCZBL-QWRGUYRKSA-N -1 3 235.283 2.097 20 0 BEADHM Cc1nc(N[C@@H](C)c2cncs2)cc(=O)[n-]1 ZINC001335114392 976852469 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/nfs/dbraw/zinc/19/26/35/977192635.db2.gz QFDQBHFTMBSOIS-UHFFFAOYSA-N -1 3 244.298 2.300 20 0 BEADHM COc1ccc([N-]c2nonc2C)c(F)c1F ZINC001175021706 977215152 /nfs/dbraw/zinc/21/51/52/977215152.db2.gz ZUVKKAZWSRBKTO-UHFFFAOYSA-N -1 3 241.197 2.408 20 0 BEADHM Cc1ccc(C(=O)[O-])cc1Nc1nccn1C ZINC001174982092 977221076 /nfs/dbraw/zinc/22/10/76/977221076.db2.gz UPRZGTYCYSUOOV-UHFFFAOYSA-N -1 3 231.255 2.170 20 0 BEADHM COc1cc([N-]c2nnc(C)o2)cc(OC)c1 ZINC001175103508 977252474 /nfs/dbraw/zinc/25/24/74/977252474.db2.gz WGXQDEKNCZZVHK-UHFFFAOYSA-N -1 3 235.243 2.139 20 0 BEADHM O=c1[n-]cncc1Nc1cc(F)c(F)cc1F ZINC001175085139 977263379 /nfs/dbraw/zinc/26/33/79/977263379.db2.gz KJCVUEFSQLLEIH-UHFFFAOYSA-N -1 3 241.172 2.343 20 0 BEADHM O=c1[n-]cncc1Nc1c(F)cc(F)cc1F ZINC001175147206 977286065 /nfs/dbraw/zinc/28/60/65/977286065.db2.gz LGRVFYWGTSAIAY-UHFFFAOYSA-N -1 3 241.172 2.343 20 0 BEADHM Cc1[n-]n(CCC(C)C)c(=O)c1C1CC1 ZINC001335836913 977314658 /nfs/dbraw/zinc/31/46/58/977314658.db2.gz OJFGBQGTIMYFBH-LLVKDONJSA-N -1 3 208.305 2.277 20 0 BEADHM CCOc1cc(C)c([N-]c2nonc2N)c(C)c1 ZINC001175171812 977320985 /nfs/dbraw/zinc/32/09/85/977320985.db2.gz KKYRADAYDAIKQZ-UHFFFAOYSA-N -1 3 248.286 2.411 20 0 BEADHM CC(=O)c1ccccc1Nc1cnc[n-]c1=O ZINC001175176374 977322036 /nfs/dbraw/zinc/32/20/36/977322036.db2.gz NDOSHFCTJUDBQE-UHFFFAOYSA-N -1 3 229.239 2.128 20 0 BEADHM Cc1ncc(Nc2ccc(F)c(C(=O)[O-])c2)n1C ZINC001175221344 977331027 /nfs/dbraw/zinc/33/10/27/977331027.db2.gz ZLBVPYJSICYOBI-UHFFFAOYSA-N -1 3 249.245 2.309 20 0 BEADHM CCOc1cccc(Nc2cnc[n-]c2=O)c1F ZINC001175235663 977341007 /nfs/dbraw/zinc/34/10/07/977341007.db2.gz CTHRIMQSALNDHH-UHFFFAOYSA-N -1 3 249.245 2.464 20 0 BEADHM [O-]c1ccc(F)c(Nc2cnccn2)c1F ZINC001175262031 977362569 /nfs/dbraw/zinc/36/25/69/977362569.db2.gz YFSIOABMMQSNFQ-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM Cc1ccc(Nc2cnc[n-]c2=O)c(F)c1 ZINC001175324078 977372936 /nfs/dbraw/zinc/37/29/36/977372936.db2.gz KPRKTBNPRFWXLW-UHFFFAOYSA-N -1 3 219.219 2.373 20 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Cc1[nH]nc2ccc(Nc3cnc[n-]c3=O)cc21 ZINC001175694659 977627189 /nfs/dbraw/zinc/62/71/89/977627189.db2.gz UIBQYFXOHJTNEU-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM CCCn1nc(C)cc1Nc1cc(=O)[n-]c(C)n1 ZINC001175798100 977695443 /nfs/dbraw/zinc/69/54/43/977695443.db2.gz FQRDXLALDIVQGY-UHFFFAOYSA-N -1 3 247.302 2.149 20 0 BEADHM CCCn1nc(C)cc1Nc1cnc(C)[n-]c1=O ZINC001175801262 977700931 /nfs/dbraw/zinc/70/09/31/977700931.db2.gz JIVAXNHEVRTMNL-UHFFFAOYSA-N -1 3 247.302 2.149 20 0 BEADHM NC(=O)c1ccc(NC2=CCCCC2)cc1[O-] ZINC001175755251 977712532 /nfs/dbraw/zinc/71/25/32/977712532.db2.gz WKGICMHOOUYRLU-UHFFFAOYSA-N -1 3 232.283 2.361 20 0 BEADHM COc1ccncc1Nc1ncc(F)cc1[O-] ZINC001176118228 977947310 /nfs/dbraw/zinc/94/73/10/977947310.db2.gz DPGLEFPSCZJAGM-UHFFFAOYSA-N -1 3 235.218 2.074 20 0 BEADHM O=c1ccc(Nc2ncc(Cl)cc2[O-])c[nH]1 ZINC001176126830 977966911 /nfs/dbraw/zinc/96/69/11/977966911.db2.gz XKVJGVNUTOYQTC-UHFFFAOYSA-N -1 3 237.646 2.285 20 0 BEADHM [O-]c1cc(F)cnc1Nc1csc(CO)c1 ZINC001176371071 978056571 /nfs/dbraw/zinc/05/65/71/978056571.db2.gz VZRHNKGEWUAPPT-UHFFFAOYSA-N -1 3 240.259 2.224 20 0 BEADHM COC(C)(C)C[C@H](C)Nc1nc(C)cc(=O)[n-]1 ZINC001337049630 978144601 /nfs/dbraw/zinc/14/46/01/978144601.db2.gz QPUKFAFPNCVDQC-VIFPVBQESA-N -1 3 239.319 2.106 20 0 BEADHM CCc1ncoc1C(=O)[N-]c1nocc1C1CC1 ZINC001596874914 978266714 /nfs/dbraw/zinc/26/67/14/978266714.db2.gz YQZSCEVTJSVRKS-UHFFFAOYSA-N -1 3 247.254 2.355 20 0 BEADHM CC[C@H]1C[C@H](CC(=O)[N-]OC(C)(C)C)CCO1 ZINC001337566352 978411778 /nfs/dbraw/zinc/41/17/78/978411778.db2.gz JDTFQQHGOJRPBU-MNOVXSKESA-N -1 3 243.347 2.428 20 0 BEADHM CSCCN(C)Cc1cc(Cl)ncc1[O-] ZINC001233037401 978419012 /nfs/dbraw/zinc/41/90/12/978419012.db2.gz DSSREZNUCJNLBK-UHFFFAOYSA-N -1 3 246.763 2.235 20 0 BEADHM C[C@@H]1CCCN1Cc1cc(Cl)ncc1[O-] ZINC001233033328 978419701 /nfs/dbraw/zinc/41/97/01/978419701.db2.gz KXZHGCFTQIJFTG-MRVPVSSYSA-N -1 3 226.707 2.425 20 0 BEADHM O=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc([O-])c1F ZINC001233050155 978439688 /nfs/dbraw/zinc/43/96/88/978439688.db2.gz HNKXTMPKYHZYEO-PHIMTYICSA-N -1 3 249.285 2.227 20 0 BEADHM C[C@@H]1CN(Cc2cccc([O-])c2F)C[C@@H](C)O1 ZINC001233049608 978441908 /nfs/dbraw/zinc/44/19/08/978441908.db2.gz RKRABCGGEBALPN-NXEZZACHSA-N -1 3 239.290 2.141 20 0 BEADHM [O-]c1cccc(CN2CC(F)(C3CC3)C2)c1F ZINC001233049681 978443015 /nfs/dbraw/zinc/44/30/15/978443015.db2.gz HFTRNBIHRQXINP-UHFFFAOYSA-N -1 3 239.265 2.465 20 0 BEADHM CC1(C)COCCN1Cc1cccc([O-])c1F ZINC001233053510 978447122 /nfs/dbraw/zinc/44/71/22/978447122.db2.gz QYLRSFSTXKTJSP-UHFFFAOYSA-N -1 3 239.290 2.142 20 0 BEADHM COCC1CN(Cc2ccc([S-])cc2)C1 ZINC001233258486 978518663 /nfs/dbraw/zinc/51/86/63/978518663.db2.gz GVNHZNPLZDRTTE-UHFFFAOYSA-N -1 3 223.341 2.054 20 0 BEADHM [O-]c1ccc(F)c(CN2CC(F)(F)C2)c1F ZINC001233393098 978598204 /nfs/dbraw/zinc/59/82/04/978598204.db2.gz APMUOXCHQAADNN-UHFFFAOYSA-N -1 3 235.180 2.121 20 0 BEADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1COC(=O)C1 ZINC001233590978 978637849 /nfs/dbraw/zinc/63/78/49/978637849.db2.gz BYKVEBLDSUGBKX-ZETCQYMHSA-N -1 3 242.658 2.048 20 0 BEADHM Cc1cc([O-])c(Cl)cc1O[C@H](C)CON ZINC001233596433 978640915 /nfs/dbraw/zinc/64/09/15/978640915.db2.gz XWJQGAYNBARGLJ-SSDOTTSWSA-N -1 3 231.679 2.012 20 0 BEADHM CC=CC=CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001338252205 978642319 /nfs/dbraw/zinc/64/23/19/978642319.db2.gz HIJQUGBOUPGPQW-SWBALALESA-N -1 3 244.254 2.136 20 0 BEADHM CCC(C)=CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001338277061 978649146 /nfs/dbraw/zinc/64/91/46/978649146.db2.gz WONOESKGCXBMBD-PLNGDYQASA-N -1 3 248.208 2.118 20 0 BEADHM CCC(C)=CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001338277061 978649153 /nfs/dbraw/zinc/64/91/53/978649153.db2.gz WONOESKGCXBMBD-PLNGDYQASA-N -1 3 248.208 2.118 20 0 BEADHM C[C@@H]1C[C@@H](Oc2ccc3occ([O-])c3c2)CCO1 ZINC001233681274 978673574 /nfs/dbraw/zinc/67/35/74/978673574.db2.gz SRQIJWNEIVGDSW-KOLCDFICSA-N -1 3 248.278 2.208 20 0 BEADHM Cc1ccccc1[C@H](NC/C=C/Cl)C(=O)[O-] ZINC001600569718 978702425 /nfs/dbraw/zinc/70/24/25/978702425.db2.gz NHNLVUBZQYWLNN-ZPMKCOPCSA-N -1 3 239.702 2.463 20 0 BEADHM CC1=C(Oc2cccc([O-])c2F)C(=O)O[C@@H]1C ZINC001233872066 978720894 /nfs/dbraw/zinc/72/08/94/978720894.db2.gz SZYAUVPLWLBURH-SSDOTTSWSA-N -1 3 238.214 2.129 20 0 BEADHM Cn1c(CN2C[C@H]3CCCC[C@H]32)ccc1C(=O)[O-] ZINC001600915112 978742648 /nfs/dbraw/zinc/74/26/48/978742648.db2.gz XVPMTYHPLBQLIO-ZYHUDNBSSA-N -1 3 248.326 2.098 20 0 BEADHM C[C@@H](CC(F)(F)F)C(=O)Nc1cncc([O-])c1 ZINC001179859991 978782376 /nfs/dbraw/zinc/78/23/76/978782376.db2.gz RTTVAOOGRPRPJM-LURJTMIESA-N -1 3 248.204 2.314 20 0 BEADHM [O-]c1ccc(Cl)c(OC[C@@H]2CCO2)c1F ZINC001234264279 978806327 /nfs/dbraw/zinc/80/63/27/978806327.db2.gz PLQAJRDWBNOMKL-LURJTMIESA-N -1 3 232.638 2.352 20 0 BEADHM Cn1cnc([N-]c2c3cc[nH]c3ccc2F)n1 ZINC001204260146 978808804 /nfs/dbraw/zinc/80/88/04/978808804.db2.gz PIWDUYOTTSOZCJ-UHFFFAOYSA-N -1 3 231.234 2.179 20 0 BEADHM O=C([O-])[C@@H](N[C@H]1C=CCC1)c1ccccc1F ZINC001601668651 978829658 /nfs/dbraw/zinc/82/96/58/978829658.db2.gz OSRWTJIPFGWLHZ-CABZTGNLSA-N -1 3 235.258 2.260 20 0 BEADHM O=C([O-])[C@H](N[C@@H]1C=CCC1)c1ccccc1F ZINC001601668648 978829779 /nfs/dbraw/zinc/82/97/79/978829779.db2.gz OSRWTJIPFGWLHZ-BXKDBHETSA-N -1 3 235.258 2.260 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@H](C)c2ccccn2)n1 ZINC001339769044 978907802 /nfs/dbraw/zinc/90/78/02/978907802.db2.gz FEKIPVISWVOVDL-VIFPVBQESA-N -1 3 244.298 2.101 20 0 BEADHM CC[C@H](COC)Oc1nc2ccsc2[n-]1 ZINC001234847796 978913142 /nfs/dbraw/zinc/91/31/42/978913142.db2.gz LQEODMQOJCVBHL-SSDOTTSWSA-N -1 3 226.301 2.428 20 0 BEADHM CC[C@H](COC)Oc1nc2sccc2[n-]1 ZINC001234847796 978913150 /nfs/dbraw/zinc/91/31/50/978913150.db2.gz LQEODMQOJCVBHL-SSDOTTSWSA-N -1 3 226.301 2.428 20 0 BEADHM CCOC(C)(C)C(=O)Nc1ccc(F)c([O-])c1 ZINC001181152040 979011511 /nfs/dbraw/zinc/01/15/11/979011511.db2.gz XWQPCRWWTRJYRA-UHFFFAOYSA-N -1 3 241.262 2.285 20 0 BEADHM C[C@@H](Sc1cc(-c2nnn[n-]2)ccn1)C1CC1 ZINC001603720208 979509540 /nfs/dbraw/zinc/50/95/40/979509540.db2.gz AMPOKDVLYJRTIL-SSDOTTSWSA-N -1 3 247.327 2.152 20 0 BEADHM C[C@@H](Sc1cc(-c2nn[n-]n2)ccn1)C1CC1 ZINC001603720208 979509549 /nfs/dbraw/zinc/50/95/49/979509549.db2.gz AMPOKDVLYJRTIL-SSDOTTSWSA-N -1 3 247.327 2.152 20 0 BEADHM Cc1ccc(F)c(-c2cn(C)cn2)c1[O-] ZINC001236402671 979578755 /nfs/dbraw/zinc/57/87/55/979578755.db2.gz MWQNCQIBUXAUEK-UHFFFAOYSA-N -1 3 206.220 2.240 20 0 BEADHM CC/C=C/CNc1cc(F)ccc1-c1nnn[n-]1 ZINC001604120675 979580551 /nfs/dbraw/zinc/58/05/51/979580551.db2.gz WLHAJRPWZIKLMC-ONEGZZNKSA-N -1 3 247.277 2.384 20 0 BEADHM CC/C=C/CNc1cc(F)ccc1-c1nn[n-]n1 ZINC001604120675 979580557 /nfs/dbraw/zinc/58/05/57/979580557.db2.gz WLHAJRPWZIKLMC-ONEGZZNKSA-N -1 3 247.277 2.384 20 0 BEADHM CCC[C@H](C)Nc1cc(-c2nnn[n-]2)cc(C)n1 ZINC001604138522 979582504 /nfs/dbraw/zinc/58/25/04/979582504.db2.gz ZQCMBPPTZLAQGL-QMMMGPOBSA-N -1 3 246.318 2.171 20 0 BEADHM CCC[C@H](C)Nc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001604138522 979582510 /nfs/dbraw/zinc/58/25/10/979582510.db2.gz ZQCMBPPTZLAQGL-QMMMGPOBSA-N -1 3 246.318 2.171 20 0 BEADHM COc1ncncc1-c1c(F)ccc(C)c1[O-] ZINC001236406535 979584502 /nfs/dbraw/zinc/58/45/02/979584502.db2.gz WYOCVQJGEXINKY-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM O=c1c(-c2cncc([O-])c2)cccn1CC1CC1 ZINC001236585367 979669917 /nfs/dbraw/zinc/66/99/17/979669917.db2.gz SAJCLZWSEGRREO-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM [O-]c1cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)ccc1F ZINC001236700289 979696252 /nfs/dbraw/zinc/69/62/52/979696252.db2.gz VTGCESNSPJBHGL-JBLDHEPKSA-N -1 3 239.265 2.321 20 0 BEADHM O=c1[n-]c(Cl)c(CN2CC3(CCC3)C2)s1 ZINC001237158873 979823052 /nfs/dbraw/zinc/82/30/52/979823052.db2.gz PMEAKBOLFZNENE-UHFFFAOYSA-N -1 3 244.747 2.488 20 0 BEADHM CC[C@H]1CCN1Cc1cc(C(=O)[O-])c(C)n1C ZINC001605171910 979828147 /nfs/dbraw/zinc/82/81/47/979828147.db2.gz OSLQXPAWAYGXLC-JTQLQIEISA-N -1 3 236.315 2.016 20 0 BEADHM CC[C@@H]1CCN1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001605171141 979828866 /nfs/dbraw/zinc/82/88/66/979828866.db2.gz JPOPVRWXGHJCFC-WWQCOOJYSA-N -1 3 235.283 2.362 20 0 BEADHM [O-]c1cc(F)cc(CN2Cc3cccnc3C2)c1 ZINC001237285512 979862328 /nfs/dbraw/zinc/86/23/28/979862328.db2.gz TXAJFDQHUQPJMD-UHFFFAOYSA-N -1 3 244.269 2.442 20 0 BEADHM Cc1ccc(-c2nnn[n-]2)cc1OC1CCCC1 ZINC001605799563 979917742 /nfs/dbraw/zinc/91/77/42/979917742.db2.gz XYGIHWOINFQIEF-UHFFFAOYSA-N -1 3 244.298 2.497 20 0 BEADHM Cc1ccc(-c2nn[n-]n2)cc1OC1CCCC1 ZINC001605799563 979917750 /nfs/dbraw/zinc/91/77/50/979917750.db2.gz XYGIHWOINFQIEF-UHFFFAOYSA-N -1 3 244.298 2.497 20 0 BEADHM Fc1cc(OCC2CCC2)cc(-c2nnn[n-]2)c1 ZINC001606312067 979995552 /nfs/dbraw/zinc/99/55/52/979995552.db2.gz AXEQQZRQEJWHJJ-UHFFFAOYSA-N -1 3 248.261 2.185 20 0 BEADHM Fc1cc(OCC2CCC2)cc(-c2nn[n-]n2)c1 ZINC001606312067 979995559 /nfs/dbraw/zinc/99/55/59/979995559.db2.gz AXEQQZRQEJWHJJ-UHFFFAOYSA-N -1 3 248.261 2.185 20 0 BEADHM Cc1[nH]c(CN2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC001607497266 980112870 /nfs/dbraw/zinc/11/28/70/980112870.db2.gz UDDRPVZCFUMYDB-SECBINFHSA-N -1 3 236.315 2.253 20 0 BEADHM Cc1[nH]c(CN[C@H](C)c2ccc[nH]2)cc1C(=O)[O-] ZINC001607496927 980113437 /nfs/dbraw/zinc/11/34/37/980113437.db2.gz MIDCPKHVXKHANQ-SECBINFHSA-N -1 3 247.298 2.200 20 0 BEADHM Cc1cc(CN2CC[C@H]2C(C)C)[nH]c1C(=O)[O-] ZINC001607640186 980120229 /nfs/dbraw/zinc/12/02/29/980120229.db2.gz VUTYPTZWXMDRBU-NSHDSACASA-N -1 3 236.315 2.252 20 0 BEADHM O=C([O-])/C=C\c1ccc(CN2CC(C3CC3)C2)o1 ZINC001608658682 980258292 /nfs/dbraw/zinc/25/82/92/980258292.db2.gz BIQIPICMGZUSDF-WAYWQWQTSA-N -1 3 247.294 2.219 20 0 BEADHM CC[C@@H](N[C@H](CF)c1ccc(F)cc1)C(=O)[O-] ZINC001595282092 980341308 /nfs/dbraw/zinc/34/13/08/980341308.db2.gz UXHOLHWSLQZTSZ-GHMZBOCLSA-N -1 3 243.253 2.289 20 0 BEADHM CC(C)O[N-]C(=O)Cc1ccc(Cl)c(F)c1 ZINC001344389513 980384056 /nfs/dbraw/zinc/38/40/56/980384056.db2.gz GXDLXHAHTHBDMP-UHFFFAOYSA-N -1 3 245.681 2.478 20 0 BEADHM CC1CCC([N-]S(=O)(=O)c2ccco2)CC1 ZINC001186806538 980439994 /nfs/dbraw/zinc/43/99/94/980439994.db2.gz PMFHORICNVXERR-UHFFFAOYSA-N -1 3 243.328 2.137 20 0 BEADHM Cc1[nH]ccc1C(=O)Nc1ccc(F)c([O-])c1 ZINC001188159447 980621645 /nfs/dbraw/zinc/62/16/45/980621645.db2.gz GQTCKQDSRNOQKH-UHFFFAOYSA-N -1 3 234.230 2.420 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1ccno1 ZINC001188658538 980678683 /nfs/dbraw/zinc/67/86/83/980678683.db2.gz HNAFOUWAQBLYLO-VIFPVBQESA-N -1 3 246.266 2.180 20 0 BEADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cccnn1 ZINC001188678251 980686980 /nfs/dbraw/zinc/68/69/80/980686980.db2.gz OXNULVREEKHRGO-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM Cc1cccc([O-])c1C(=O)Nc1cncc(O)c1 ZINC001188639430 980688272 /nfs/dbraw/zinc/68/82/72/980688272.db2.gz YHMAUGIHVZSSSD-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM C(=Cc1cncc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001239593053 980788554 /nfs/dbraw/zinc/78/85/54/980788554.db2.gz GUEOVEBWMNBDCY-VOTSOKGWSA-N -1 3 249.277 2.432 20 0 BEADHM C(=Cc1cncc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001239593053 980788561 /nfs/dbraw/zinc/78/85/61/980788561.db2.gz GUEOVEBWMNBDCY-VOTSOKGWSA-N -1 3 249.277 2.432 20 0 BEADHM CCc1nc(C(=O)Nc2cncc([O-])c2)cs1 ZINC001190031153 980842132 /nfs/dbraw/zinc/84/21/32/980842132.db2.gz ANJOODWIWGEDKF-UHFFFAOYSA-N -1 3 249.295 2.058 20 0 BEADHM Cc1[nH]nc(C(=O)Nc2ccc(F)c([O-])c2)c1C ZINC001191122704 980975163 /nfs/dbraw/zinc/97/51/63/980975163.db2.gz DNBLPILIDQILQH-UHFFFAOYSA-N -1 3 249.245 2.124 20 0 BEADHM Cc1cc(Cc2cccc(F)c2[O-])n(C)n1 ZINC001250420068 980999985 /nfs/dbraw/zinc/99/99/85/980999985.db2.gz SZSSOHDULMMKCK-UHFFFAOYSA-N -1 3 220.247 2.164 20 0 BEADHM Cc1ccncc1-c1ccccc1-c1nnn[n-]1 ZINC001239973498 981075751 /nfs/dbraw/zinc/07/57/51/981075751.db2.gz FAGMTHQROGMBPB-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1ccncc1-c1ccccc1-c1nn[n-]n1 ZINC001239973498 981075758 /nfs/dbraw/zinc/07/57/58/981075758.db2.gz FAGMTHQROGMBPB-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM C[C@H]1CC[C@H](NC(=O)Nc2cncc([O-])c2)CC1 ZINC001191795085 981088432 /nfs/dbraw/zinc/08/84/32/981088432.db2.gz MFVMBDJTOSWISI-MGCOHNPYSA-N -1 3 249.314 2.487 20 0 BEADHM S=C1Cc2ccc(-c3cn[nH]c3)cc2[N-]1 ZINC001240243352 981221131 /nfs/dbraw/zinc/22/11/31/981221131.db2.gz GLIALICPPWMNFU-UHFFFAOYSA-N -1 3 215.281 2.372 20 0 BEADHM CC(C)OC(=O)Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001193449350 981320927 /nfs/dbraw/zinc/32/09/27/981320927.db2.gz KTERKGWUSWJKFJ-UHFFFAOYSA-N -1 3 237.259 2.017 20 0 BEADHM CC(C)OC(=O)Nc1ccc(F)c([O-])c1 ZINC001193486273 981346988 /nfs/dbraw/zinc/34/69/88/981346988.db2.gz CQNFFGONNCAVTG-UHFFFAOYSA-N -1 3 213.208 2.488 20 0 BEADHM Cc1cc(O)ccc1CC(=O)[N-]OCCC1CC1 ZINC001348683792 981419699 /nfs/dbraw/zinc/41/96/99/981419699.db2.gz AKBBSKQDUIIQPK-UHFFFAOYSA-N -1 3 249.310 2.091 20 0 BEADHM Cc1cc(O)cc([O-])c1C(=O)N(C)C1CC(C)C1 ZINC001193922564 981521283 /nfs/dbraw/zinc/52/12/83/981521283.db2.gz SXYASWAPUYBTGC-UHFFFAOYSA-N -1 3 249.310 2.277 20 0 BEADHM S=c1ccc(-c2cnc(C3CC3)nc2)n[n-]1 ZINC001240685410 981590498 /nfs/dbraw/zinc/59/04/98/981590498.db2.gz WWBKRTSKLMOJBF-UHFFFAOYSA-N -1 3 230.296 2.100 20 0 BEADHM COc1ncnc(C)c1-c1cc(F)ccc1[O-] ZINC001240697974 981592795 /nfs/dbraw/zinc/59/27/95/981592795.db2.gz YQLJWNBAARSQQY-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM [O-]c1ccc(F)cc1-c1cnc(F)nc1F ZINC001240698118 981610519 /nfs/dbraw/zinc/61/05/19/981610519.db2.gz GUSPRRMCPVMBLR-UHFFFAOYSA-N -1 3 226.157 2.267 20 0 BEADHM Cc1cc(-c2ccccc2-c2nnn[n-]2)ccn1 ZINC001240716571 981725084 /nfs/dbraw/zinc/72/50/84/981725084.db2.gz OCRHQHAYBHINPM-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1cc(-c2ccccc2-c2nn[n-]n2)ccn1 ZINC001240716571 981725110 /nfs/dbraw/zinc/72/51/10/981725110.db2.gz OCRHQHAYBHINPM-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Nc1cccnc1-c1ccc([O-])c(F)c1 ZINC001240783800 981822257 /nfs/dbraw/zinc/82/22/57/981822257.db2.gz XSCHHCJOYFYFCQ-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM CN(C)c1ccc(-c2ccc([O-])c(F)c2)nn1 ZINC001240783186 981824173 /nfs/dbraw/zinc/82/41/73/981824173.db2.gz OCISXZRIOHUYPD-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM Nc1cn2ccc(-c3ccc([O-])c(F)c3)cc2n1 ZINC001240785481 981825036 /nfs/dbraw/zinc/82/50/36/981825036.db2.gz AXBZTUUFTOCGIZ-UHFFFAOYSA-N -1 3 243.241 2.428 20 0 BEADHM Cn1cnc2cc(-c3ccc([O-])c(F)c3)cnc21 ZINC001240785861 981827856 /nfs/dbraw/zinc/82/78/56/981827856.db2.gz QQTOCFKBINRHQX-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM COc1nccc(-c2ccc([O-])c(F)c2)c1N ZINC001240785757 981828859 /nfs/dbraw/zinc/82/88/59/981828859.db2.gz MWUJEAZEHGAHFV-UHFFFAOYSA-N -1 3 234.230 2.184 20 0 BEADHM CCn1cccc(-c2ccc([O-])c(F)c2)c1=O ZINC001240786219 981829672 /nfs/dbraw/zinc/82/96/72/981829672.db2.gz BLRVZTZNQWBRLB-UHFFFAOYSA-N -1 3 233.242 2.380 20 0 BEADHM Cc1cc(-c2ccc([O-])c(F)c2)cn(C)c1=O ZINC001240788121 981830936 /nfs/dbraw/zinc/83/09/36/981830936.db2.gz ZWXNCABRMZZUGT-UHFFFAOYSA-N -1 3 233.242 2.205 20 0 BEADHM Cc1nc(C(N)=O)ccc1-c1ccc([O-])c(F)c1 ZINC001240787455 981830991 /nfs/dbraw/zinc/83/09/91/981830991.db2.gz FNQBWNPZNSPENG-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM CC(C)n1ncc(-c2ccc([O-])c(F)c2)cc1=O ZINC001240790549 981836036 /nfs/dbraw/zinc/83/60/36/981836036.db2.gz OAVPRZJFVFRKJM-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM NC(=O)c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001250610594 982009190 /nfs/dbraw/zinc/00/91/90/982009190.db2.gz BVEQOTYOAUOONX-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM Cc1ccc(C(=O)[O-])cc1-c1cccc(CN)n1 ZINC001240998829 982083133 /nfs/dbraw/zinc/08/31/33/982083133.db2.gz CTXZLLVHIJKDGV-UHFFFAOYSA-N -1 3 242.278 2.214 20 0 BEADHM Cc1ncc(-c2ccccc2[O-])nc1C ZINC001241003030 982086712 /nfs/dbraw/zinc/08/67/12/982086712.db2.gz FNWNULHDXZXQHW-UHFFFAOYSA-N -1 3 200.241 2.466 20 0 BEADHM CCc1nccnc1-c1ccccc1[O-] ZINC001241003642 982090650 /nfs/dbraw/zinc/09/06/50/982090650.db2.gz QRZDHGJKOPYSGT-UHFFFAOYSA-N -1 3 200.241 2.412 20 0 BEADHM CN(C)C(=O)c1ccc(-c2ccccc2[O-])nc1 ZINC001241003788 982092258 /nfs/dbraw/zinc/09/22/58/982092258.db2.gz UKJHRJANYUJCRZ-UHFFFAOYSA-N -1 3 242.278 2.156 20 0 BEADHM COC(=O)c1ccc(F)c(-c2ccccc2[O-])n1 ZINC001241003744 982093365 /nfs/dbraw/zinc/09/33/65/982093365.db2.gz UGNYRLKKTVWXOT-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM [O-]c1ccccc1-c1cc2c(nn1)CCC2 ZINC001241007905 982094909 /nfs/dbraw/zinc/09/49/09/982094909.db2.gz BWUWRBQRAYUONA-UHFFFAOYSA-N -1 3 212.252 2.338 20 0 BEADHM Cc1cc(-c2ccccc2[O-])nc2c1nnn2C ZINC001241008167 982095991 /nfs/dbraw/zinc/09/59/91/982095991.db2.gz MJAUQSDEWHUHTL-UHFFFAOYSA-N -1 3 240.266 2.044 20 0 BEADHM COCc1nc(OC)cc(-c2ccccc2[O-])n1 ZINC001241007887 982098061 /nfs/dbraw/zinc/09/80/61/982098061.db2.gz BAOQNZFCXMMGSS-UHFFFAOYSA-N -1 3 246.266 2.004 20 0 BEADHM CC(=O)Nc1nc(C)cc(-c2ccccc2[O-])n1 ZINC001241008887 982099555 /nfs/dbraw/zinc/09/95/55/982099555.db2.gz WQYATODPJVOKRZ-UHFFFAOYSA-N -1 3 243.266 2.116 20 0 BEADHM [O-]c1ccccc1-c1cn2ccnc2cn1 ZINC001241013520 982106274 /nfs/dbraw/zinc/10/62/74/982106274.db2.gz GTEKAKZZCXLNHK-UHFFFAOYSA-N -1 3 211.224 2.102 20 0 BEADHM Cc1ccc(-c2ncnc3c2COCC3)c([O-])c1 ZINC001241030272 982127070 /nfs/dbraw/zinc/12/70/70/982127070.db2.gz GQKXAVLMJSWNGR-UHFFFAOYSA-N -1 3 242.278 2.230 20 0 BEADHM Cc1ccc(-c2ncccc2C(N)=S)c([O-])c1 ZINC001241036064 982137313 /nfs/dbraw/zinc/13/73/13/982137313.db2.gz NATYOTWOAKUGJK-UHFFFAOYSA-N -1 3 244.319 2.397 20 0 BEADHM C1=CCC(COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588386772 982160087 /nfs/dbraw/zinc/16/00/87/982160087.db2.gz BLGZYZCTPUJGKY-UHFFFAOYSA-N -1 3 242.282 2.212 20 0 BEADHM OCc1ccc(F)c(-c2ccc(=S)[n-]n2)c1 ZINC001241151945 982290789 /nfs/dbraw/zinc/29/07/89/982290789.db2.gz MAOHFRWMLWMWJS-UHFFFAOYSA-N -1 3 236.271 2.064 20 0 BEADHM COC(=O)c1cccc(-c2cc([O-])cc(F)c2)n1 ZINC001241257319 982393860 /nfs/dbraw/zinc/39/38/60/982393860.db2.gz IUQKZEVHJQYXGK-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM Cn1ccc2c1ncnc2-c1cc([O-])cc(F)c1 ZINC001241257575 982394838 /nfs/dbraw/zinc/39/48/38/982394838.db2.gz LYLAVBVPDFWSTD-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM Cn1cnc2cnc(-c3cc([O-])cc(F)c3)cc21 ZINC001241256487 982395292 /nfs/dbraw/zinc/39/52/92/982395292.db2.gz WUWNARCKHCWACH-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM COCc1ccc(-c2cc([O-])cc(F)c2)nn1 ZINC001241261746 982397575 /nfs/dbraw/zinc/39/75/75/982397575.db2.gz PMPGPBVXXYERLO-UHFFFAOYSA-N -1 3 234.230 2.135 20 0 BEADHM [O-]c1cc(F)cc(-c2ncnc3c2COC3)c1 ZINC001241260840 982397795 /nfs/dbraw/zinc/39/77/95/982397795.db2.gz ANZYMCIGMDJZFM-UHFFFAOYSA-N -1 3 232.214 2.019 20 0 BEADHM CCOc1cc(-c2cc([O-])cc(F)c2)ncn1 ZINC001241262009 982398091 /nfs/dbraw/zinc/39/80/91/982398091.db2.gz HQOKUSMUQKSLOP-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM Nc1nccc(F)c1-c1cc([O-])cc(F)c1 ZINC001241266899 982402677 /nfs/dbraw/zinc/40/26/77/982402677.db2.gz NYXFVQKVRGJLDQ-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM Nc1cnccc1-c1cc([O-])cc(F)c1 ZINC001241267506 982402911 /nfs/dbraw/zinc/40/29/11/982402911.db2.gz XCEZXUMMYJAAHK-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM Cc1cc(-c2cc([O-])cc(F)c2)cc(=O)o1 ZINC001241277902 982408273 /nfs/dbraw/zinc/40/82/73/982408273.db2.gz RMGJEYBGTBXOIT-UHFFFAOYSA-N -1 3 220.199 2.460 20 0 BEADHM O=c1occcc1-c1cc([O-])cc(F)c1 ZINC001241278203 982410345 /nfs/dbraw/zinc/41/03/45/982410345.db2.gz WYMLUKVFWBIJAK-UHFFFAOYSA-N -1 3 206.172 2.152 20 0 BEADHM Nc1ccc(-c2c(F)ccc([O-])c2F)cn1 ZINC001241293225 982432521 /nfs/dbraw/zinc/43/25/21/982432521.db2.gz UDFWASHUDUYWAC-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM Cc1ncncc1-c1c(F)ccc([O-])c1F ZINC001241292950 982433844 /nfs/dbraw/zinc/43/38/44/982433844.db2.gz OQCONMIFRJOIPN-UHFFFAOYSA-N -1 3 222.194 2.436 20 0 BEADHM Nc1cncc(-c2c(F)ccc([O-])c2F)c1 ZINC001241293205 982436288 /nfs/dbraw/zinc/43/62/88/982436288.db2.gz SXIJUFIOJLKGLD-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM CC(C)c1cnc(CN[C@@H](C)CC(=O)[O-])s1 ZINC001589009209 982574532 /nfs/dbraw/zinc/57/45/32/982574532.db2.gz KIIGKDDVUZTTLS-QMMMGPOBSA-N -1 3 242.344 2.219 20 0 BEADHM C=CS(=O)(=O)[N-]c1ccc2cccc(C)c2n1 ZINC001198567720 982758661 /nfs/dbraw/zinc/75/86/61/982758661.db2.gz VAEYURXXQQSANE-UHFFFAOYSA-N -1 3 248.307 2.428 20 0 BEADHM C=CS(=O)(=O)[N-]c1ccccc1C(=O)CC ZINC001198620630 982824194 /nfs/dbraw/zinc/82/41/94/982824194.db2.gz OOKUHLATFWZUJY-UHFFFAOYSA-N -1 3 239.296 2.165 20 0 BEADHM CC[C@H](C)CNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590409301 982936582 /nfs/dbraw/zinc/93/65/82/982936582.db2.gz FRHBDLRAXNDJHP-QMMMGPOBSA-N -1 3 249.293 2.464 20 0 BEADHM CC[C@H](C)CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590409301 982936608 /nfs/dbraw/zinc/93/66/08/982936608.db2.gz FRHBDLRAXNDJHP-QMMMGPOBSA-N -1 3 249.293 2.464 20 0 BEADHM CCC[C@H](CC)Nc1ncccc1-c1nnn[n-]1 ZINC001590553310 982949041 /nfs/dbraw/zinc/94/90/41/982949041.db2.gz CFOWXULNWUSZFQ-VIFPVBQESA-N -1 3 246.318 2.252 20 0 BEADHM CCC[C@H](CC)Nc1ncccc1-c1nn[n-]n1 ZINC001590553310 982949050 /nfs/dbraw/zinc/94/90/50/982949050.db2.gz CFOWXULNWUSZFQ-VIFPVBQESA-N -1 3 246.318 2.252 20 0 BEADHM CCN(c1cc(F)ccc1-c1nnn[n-]1)C(C)C ZINC001590723376 982980814 /nfs/dbraw/zinc/98/08/14/982980814.db2.gz ARICIDNSODVKCP-UHFFFAOYSA-N -1 3 249.293 2.241 20 0 BEADHM CCN(c1cc(F)ccc1-c1nn[n-]n1)C(C)C ZINC001590723376 982980824 /nfs/dbraw/zinc/98/08/24/982980824.db2.gz ARICIDNSODVKCP-UHFFFAOYSA-N -1 3 249.293 2.241 20 0 BEADHM Cc1cc(N[C@@H]2CC[C@H]2C)cc(-c2nnn[n-]2)c1 ZINC001592037456 983113659 /nfs/dbraw/zinc/11/36/59/983113659.db2.gz OIJHSAIJCXNQNM-BXKDBHETSA-N -1 3 243.314 2.386 20 0 BEADHM Cc1cc(N[C@@H]2CC[C@H]2C)cc(-c2nn[n-]n2)c1 ZINC001592037456 983113663 /nfs/dbraw/zinc/11/36/63/983113663.db2.gz OIJHSAIJCXNQNM-BXKDBHETSA-N -1 3 243.314 2.386 20 0 BEADHM Cc1cccc(-c2ccccn2)c1-c1nnn[n-]1 ZINC001592209127 983126866 /nfs/dbraw/zinc/12/68/66/983126866.db2.gz JYKZRVVOLHLUSM-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1cccc(-c2ccccn2)c1-c1nn[n-]n1 ZINC001592209127 983126869 /nfs/dbraw/zinc/12/68/69/983126869.db2.gz JYKZRVVOLHLUSM-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM c1ccc(-c2nnn[n-]2)c(OCCCC2CC2)c1 ZINC001593569139 983301885 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FLDQSOMRWYACME-UHFFFAOYSA-N -1 3 234.230 2.135 20 0 BEADHM [O-]c1cc(-c2cnc3[nH]ccc3n2)ccc1F ZINC001243048057 984395633 /nfs/dbraw/zinc/39/56/33/984395633.db2.gz KCIVKTLGDHVTFT-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM O=c1cc2[nH]cc(-c3ccc(F)c([O-])c3)cc-2[nH]1 ZINC001243048963 984396719 /nfs/dbraw/zinc/39/67/19/984396719.db2.gz NJMJMKOJNDZRAH-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM [O-]c1cc(-c2cc(F)cn3ncnc23)ccc1F ZINC001243050896 984415230 /nfs/dbraw/zinc/41/52/30/984415230.db2.gz KUNKSPRMERSSJD-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM O=C1Cc2c(cncc2-c2ccc(F)c([O-])c2)N1 ZINC001243061619 984441240 /nfs/dbraw/zinc/44/12/40/984441240.db2.gz JCYQTDVFQXCWBS-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM COCOc1ccccc1-c1ccc(=S)[n-]n1 ZINC001243182552 984641154 /nfs/dbraw/zinc/64/11/54/984641154.db2.gz NAZGUHOJKFAWSH-UHFFFAOYSA-N -1 3 248.307 2.415 20 0 BEADHM C/C(=C/c1ccccc1)CN[C@@H](CF)C(=O)[O-] ZINC001589003674 984954834 /nfs/dbraw/zinc/95/48/34/984954834.db2.gz HMNKIBNESVGKSR-UMAGTOLTSA-N -1 3 237.274 2.102 20 0 BEADHM C[C@H](CC(=O)[O-])N[C@H]1C[C@@]1(F)c1ccccc1 ZINC001589004457 984987226 /nfs/dbraw/zinc/98/72/26/984987226.db2.gz HXIIRCMVALIPKA-SUZMYJTESA-N -1 3 237.274 2.077 20 0 BEADHM O=C1Cc2ccc(-c3cccc([O-])c3F)nc2N1 ZINC001243543954 985073678 /nfs/dbraw/zinc/07/36/78/985073678.db2.gz SPUHPBPZNJYHOV-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM [O-]c1cccc(-c2ncnc3c2COCC3)c1F ZINC001243542146 985079057 /nfs/dbraw/zinc/07/90/57/985079057.db2.gz LUTGISXPKAUBBW-UHFFFAOYSA-N -1 3 246.241 2.061 20 0 BEADHM COC(=O)c1ccncc1-c1cccc([O-])c1F ZINC001243544692 985084675 /nfs/dbraw/zinc/08/46/75/985084675.db2.gz JKNAFCZHSGWOPJ-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM Cn1nnc2ccc(-c3cccc([O-])c3F)cc21 ZINC001243546621 985090851 /nfs/dbraw/zinc/09/08/51/985090851.db2.gz KEPIMWVIDVNVTA-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM [O-]c1cccc(-c2ccn3cnnc3c2)c1F ZINC001243547616 985097637 /nfs/dbraw/zinc/09/76/37/985097637.db2.gz YMAUAJDBWXEPRH-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cc1cnc(F)cc1-c1ccc(=S)[n-]n1 ZINC001243784693 985333969 /nfs/dbraw/zinc/33/39/69/985333969.db2.gz SJEZSMSBIQWQBT-UHFFFAOYSA-N -1 3 221.260 2.275 20 0 BEADHM COCOc1cccc(-c2ccc(=S)[n-]n2)c1 ZINC001243822863 985430021 /nfs/dbraw/zinc/43/00/21/985430021.db2.gz HWFAZVUZFCVECG-UHFFFAOYSA-N -1 3 248.307 2.415 20 0 BEADHM S=c1ccc(-c2cccc3[nH]cnc32)n[n-]1 ZINC001243931350 985607937 /nfs/dbraw/zinc/60/79/37/985607937.db2.gz SGHJHSBSFNMBMH-UHFFFAOYSA-N -1 3 228.280 2.309 20 0 BEADHM Cn1cccc(-c2c([O-])cccc2Cl)c1=O ZINC001244049178 985780662 /nfs/dbraw/zinc/78/06/62/985780662.db2.gz VIPGQPKKYFCOKM-UHFFFAOYSA-N -1 3 235.670 2.411 20 0 BEADHM [O-]c1cc(Cl)ccc1-c1cnc2ncnn2c1 ZINC001244469489 986138272 /nfs/dbraw/zinc/13/82/72/986138272.db2.gz KXZWBXKOMZVGFJ-UHFFFAOYSA-N -1 3 246.657 2.150 20 0 BEADHM Cn1cc(-c2ccc(Cl)cc2[O-])ccc1=O ZINC001244469770 986139602 /nfs/dbraw/zinc/13/96/02/986139602.db2.gz SETSAXQIRBUXOE-UHFFFAOYSA-N -1 3 235.670 2.411 20 0 BEADHM Cc1cc(-c2ccc(C(N)=O)nc2)cc([O-])c1F ZINC001244515260 986218277 /nfs/dbraw/zinc/21/82/77/986218277.db2.gz HMNNHWVQTRBFGO-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM C[C@@]1(CNCc2ccc(C(=O)[O-])o2)CC1(F)F ZINC000689353959 986536171 /nfs/dbraw/zinc/53/61/71/986536171.db2.gz FWRPUAIWJVBYBB-JTQLQIEISA-N -1 3 245.225 2.113 20 0 BEADHM CCO/C=C/C(=O)Nc1cccc([O-])c1F ZINC001466118917 986772779 /nfs/dbraw/zinc/77/27/79/986772779.db2.gz QWRBFAYYMKNMNT-VOTSOKGWSA-N -1 3 225.219 2.020 20 0 BEADHM FC(F)(F)c1cc(-c2cc[nH]n2)nc(=S)[n-]1 ZINC001245308766 986787950 /nfs/dbraw/zinc/78/79/50/986787950.db2.gz ABLOUSJGPJXSKR-UHFFFAOYSA-N -1 3 246.217 2.174 20 0 BEADHM NC(=O)c1cc(-c2c([O-])cccc2F)ccc1F ZINC001245656880 987036840 /nfs/dbraw/zinc/03/68/40/987036840.db2.gz XCUYBPYTQPMGPN-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM [O-]c1cccc(F)c1-c1c[nH]cc2ncnc1-2 ZINC001245655904 987038030 /nfs/dbraw/zinc/03/80/30/987038030.db2.gz KQLAKLFPCLSEGZ-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM 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Cc1cc(=O)[n-]c(N2CCC3(CCC3)CC2)n1 ZINC001515754287 989112526 /nfs/dbraw/zinc/11/25/26/989112526.db2.gz WWLIMRPCJDTKRT-UHFFFAOYSA-N -1 3 233.315 2.261 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2C[C@H]2c2ccco2)n1 ZINC001515832664 989120371 /nfs/dbraw/zinc/12/03/71/989120371.db2.gz QFJRKVUCRSYLBI-RKDXNWHRSA-N -1 3 231.255 2.052 20 0 BEADHM C/C(=C/CN[C@@H](C)c1ncccc1C)C(=O)[O-] ZINC001602974273 989284964 /nfs/dbraw/zinc/28/49/64/989284964.db2.gz ACCFLAPGKKCWSM-YAEJEKNGSA-N -1 3 234.299 2.072 20 0 BEADHM CCc1ccc(C(=O)NCCC(F)F)c([O-])c1 ZINC001520933578 989622005 /nfs/dbraw/zinc/62/20/05/989622005.db2.gz JGCIUMYMXANALM-UHFFFAOYSA-N -1 3 243.253 2.340 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCC[C@H](CCF)C2)n1 ZINC001120861980 989932136 /nfs/dbraw/zinc/93/21/36/989932136.db2.gz IWQCWOYJGXBISL-SNVBAGLBSA-N -1 3 239.294 2.067 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@H](C)c2ccns2)n1 ZINC001120868545 989936628 /nfs/dbraw/zinc/93/66/28/989936628.db2.gz ZKHGGSSZTBCWFT-SSDOTTSWSA-N -1 3 236.300 2.120 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@@]2(C)CCCS2)n1 ZINC001120906640 989959824 /nfs/dbraw/zinc/95/98/24/989959824.db2.gz SGOXJJZRFRYWOX-LLVKDONJSA-N -1 3 239.344 2.188 20 0 BEADHM O=C(/C=C/c1nccs1)[N-]OCC1CCC1 ZINC001528541196 990298109 /nfs/dbraw/zinc/29/81/09/990298109.db2.gz ZCPAGKSEARXTSL-SNAWJCMRSA-N -1 3 238.312 2.004 20 0 BEADHM Cc1cc(NCC2(C)CC2)cc(-c2nnn[n-]2)c1 ZINC001605728618 990452116 /nfs/dbraw/zinc/45/21/16/990452116.db2.gz QXGBUONSBYGAFI-UHFFFAOYSA-N -1 3 243.314 2.387 20 0 BEADHM Cc1cc(NCC2(C)CC2)cc(-c2nn[n-]n2)c1 ZINC001605728618 990452119 /nfs/dbraw/zinc/45/21/19/990452119.db2.gz QXGBUONSBYGAFI-UHFFFAOYSA-N -1 3 243.314 2.387 20 0 BEADHM CC(C)(F)CN[C@H](C(=O)[O-])c1ccccc1 ZINC001590833340 990686754 /nfs/dbraw/zinc/68/67/54/990686754.db2.gz BQGKDLHSOIIYOQ-JTQLQIEISA-N -1 3 225.263 2.150 20 0 BEADHM O=C(CCc1cccc(O)c1)[N-]OCC1CCC1 ZINC001123933241 990707584 /nfs/dbraw/zinc/70/75/84/990707584.db2.gz URLRBCSTGXRLNN-UHFFFAOYSA-N -1 3 249.310 2.173 20 0 BEADHM Cc1nocc1NC(=O)c1cc(C)ccc1[O-] 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ZINC001261915572 992581401 /nfs/dbraw/zinc/58/14/01/992581401.db2.gz PMCRGECHJGHSDQ-UHFFFAOYSA-N -1 3 223.247 2.426 20 0 BEADHM C=C/C=C/CCOc1ccc(-c2nn[n-]n2)cc1 ZINC001573316313 992599815 /nfs/dbraw/zinc/59/98/15/992599815.db2.gz VMOARZQRQRCSLU-ONEGZZNKSA-N -1 3 242.282 2.378 20 0 BEADHM Cc1nc(N[C@H]2CCC[C@@H](F)C2)cc(=O)[n-]1 ZINC001262370465 992865809 /nfs/dbraw/zinc/86/58/09/992865809.db2.gz JHRFPYFTBKARTA-BDAKNGLRSA-N -1 3 225.267 2.183 20 0 BEADHM CC(C)(C)O[N-]C(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001262377495 992868599 /nfs/dbraw/zinc/86/85/99/992868599.db2.gz WXJQSOZMLBGUFW-MNOVXSKESA-N -1 3 241.331 2.180 20 0 BEADHM Cc1cc(=O)[n-]c(N2CC(C)(C)C2(C)C)n1 ZINC001262685747 993026271 /nfs/dbraw/zinc/02/62/71/993026271.db2.gz MCSWOFQWKLZFRP-UHFFFAOYSA-N -1 3 221.304 2.115 20 0 BEADHM C[C@H](NC/C=C/C1CC1)c1cncc(C(=O)[O-])c1 ZINC001593256257 994520049 /nfs/dbraw/zinc/52/00/49/994520049.db2.gz GMRVYIVZKHZSIY-PBKGFPTLSA-N -1 3 246.310 2.397 20 0 BEADHM CC1=C(C)CN(Cc2cc(C(=O)[O-])n(C)c2)CC1 ZINC001594110467 998210940 /nfs/dbraw/zinc/21/09/40/998210940.db2.gz WQQJANKZIBKPJN-UHFFFAOYSA-N -1 3 248.326 2.265 20 0 BEADHM C[C@H]1CC[C@@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001609163202 1170234173 /nfs/dbraw/zinc/23/41/73/1170234173.db2.gz UKTWJRCHSXTIJH-CBAPKCEASA-N -1 3 247.277 2.216 20 0 BEADHM C[C@H]1CC[C@@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001609163202 1170234177 /nfs/dbraw/zinc/23/41/77/1170234177.db2.gz UKTWJRCHSXTIJH-CBAPKCEASA-N -1 3 247.277 2.216 20 0 BEADHM CC[C@H](COC)N[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001609926060 1170321934 /nfs/dbraw/zinc/32/19/34/1170321934.db2.gz IQVQRTPHFCQUEB-WCBMZHEXSA-N -1 3 241.287 2.053 20 0 BEADHM O=C(Nc1ccncc1[O-])[C@@H]1CCC=CCCC1 ZINC001610373704 1170369541 /nfs/dbraw/zinc/36/95/41/1170369541.db2.gz PSEZTHSGKVMSLL-LLVKDONJSA-N -1 3 246.310 2.284 20 0 BEADHM Cc1ncsc1[N-]C(=O)c1cc(Cl)no1 ZINC001616437103 1170553986 /nfs/dbraw/zinc/55/39/86/1170553986.db2.gz QHJOWNIUHOCMES-UHFFFAOYSA-N -1 3 243.675 2.345 20 0 BEADHM C[C@@H](Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000037102169 1170929165 /nfs/dbraw/zinc/92/91/65/1170929165.db2.gz SSFCOMXYDXKLEQ-MRVPVSSYSA-N -1 3 229.287 2.077 20 0 BEADHM C[C@@H](Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000037102169 1170929173 /nfs/dbraw/zinc/92/91/73/1170929173.db2.gz SSFCOMXYDXKLEQ-MRVPVSSYSA-N -1 3 229.287 2.077 20 0 BEADHM CSC=CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001624739944 1171056176 /nfs/dbraw/zinc/05/61/76/1171056176.db2.gz IERHZXUZXNVJLO-PLNGDYQASA-N -1 3 249.295 2.084 20 0 BEADHM Cc1noc(C)c1[N-]C(=O)c1ccns1 ZINC001626874279 1171140991 /nfs/dbraw/zinc/14/09/91/1171140991.db2.gz GYEXVEGDWGMOCP-UHFFFAOYSA-N -1 3 223.257 2.000 20 0 BEADHM Cc1cocc1C(=O)NCc1ccc([O-])c(F)c1 ZINC001630268525 1171381954 /nfs/dbraw/zinc/38/19/54/1171381954.db2.gz FBKMHECTUHMDFQ-UHFFFAOYSA-N -1 3 249.241 2.363 20 0 BEADHM Cc1conc1C(=O)Nc1cc(F)ccc1[O-] ZINC001632243617 1171499984 /nfs/dbraw/zinc/49/99/84/1171499984.db2.gz LBDCOMUNLSMYBQ-UHFFFAOYSA-N -1 3 236.202 2.080 20 0 BEADHM CC[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@@H]1C 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2.477 20 0 BEADHM C[C@H]1CCC[C@H](CSCCc2nnn[n-]2)C1 ZINC000603337235 349927742 /nfs/dbraw/zinc/92/77/42/349927742.db2.gz CWCHKCNMMWFIJF-UWVGGRQHSA-N -1 3 240.376 2.302 20 0 BEADHM C[C@H]1CCC[C@H](CSCCc2nn[n-]n2)C1 ZINC000603337235 349927745 /nfs/dbraw/zinc/92/77/45/349927745.db2.gz CWCHKCNMMWFIJF-UWVGGRQHSA-N -1 3 240.376 2.302 20 0 BEADHM C[C@@H]1CCC[C@H](CSCCc2nnn[n-]2)C1 ZINC000603337238 349928003 /nfs/dbraw/zinc/92/80/03/349928003.db2.gz CWCHKCNMMWFIJF-ZJUUUORDSA-N -1 3 240.376 2.302 20 0 BEADHM C[C@@H]1CCC[C@H](CSCCc2nn[n-]n2)C1 ZINC000603337238 349928007 /nfs/dbraw/zinc/92/80/07/349928007.db2.gz CWCHKCNMMWFIJF-ZJUUUORDSA-N -1 3 240.376 2.302 20 0 BEADHM C[C@H]1CCC[C@@H](CSCCc2nnn[n-]2)C1 ZINC000603337236 349928074 /nfs/dbraw/zinc/92/80/74/349928074.db2.gz CWCHKCNMMWFIJF-VHSXEESVSA-N -1 3 240.376 2.302 20 0 BEADHM C[C@H]1CCC[C@@H](CSCCc2nn[n-]n2)C1 ZINC000603337236 349928078 /nfs/dbraw/zinc/92/80/78/349928078.db2.gz CWCHKCNMMWFIJF-VHSXEESVSA-N -1 3 240.376 2.302 20 0 BEADHM Cc1ccc(C(=O)N(C)Cc2ccc[nH]2)c([O-])c1 ZINC000080970509 345456069 /nfs/dbraw/zinc/45/60/69/345456069.db2.gz ZHJMWWSWDJETST-UHFFFAOYSA-N -1 3 244.294 2.301 20 0 BEADHM CCN(Cc1cc(C(=O)[O-])co1)CC1CC1 ZINC000068947378 349931551 /nfs/dbraw/zinc/93/15/51/349931551.db2.gz GXKGZIWICGEKBJ-UHFFFAOYSA-N -1 3 223.272 2.210 20 0 BEADHM [O-]C(=NOC1CCCC1)Nc1nccs1 ZINC000089265117 345552800 /nfs/dbraw/zinc/55/28/00/345552800.db2.gz VLQNBLHIUNJOIG-UHFFFAOYSA-N -1 3 227.289 2.139 20 0 BEADHM O=C([N-]OC1CCCC1)Nc1nccs1 ZINC000089265117 345552802 /nfs/dbraw/zinc/55/28/02/345552802.db2.gz VLQNBLHIUNJOIG-UHFFFAOYSA-N -1 3 227.289 2.139 20 0 BEADHM CC(C)c1nsc([N-]c2cn[nH]c2)n1 ZINC000092606107 345640443 /nfs/dbraw/zinc/64/04/43/345640443.db2.gz ZWQIQEXCRLBFJK-UHFFFAOYSA-N -1 3 209.278 2.128 20 0 BEADHM Cc1cccc(C(=O)N2CCC2(C)C)c1[O-] ZINC000094167529 345682318 /nfs/dbraw/zinc/68/23/18/345682318.db2.gz WXNICCGELKYYFN-UHFFFAOYSA-N -1 3 219.284 2.325 20 0 BEADHM Cc1cc(-c2nnn[n-]2)ccc1N1CC[C@H](C)C1 ZINC000095210997 345683238 /nfs/dbraw/zinc/68/32/38/345683238.db2.gz FVNVASQYMQLPTH-VIFPVBQESA-N -1 3 243.314 2.021 20 0 BEADHM Cc1cc(-c2nn[n-]n2)ccc1N1CC[C@H](C)C1 ZINC000095210997 345683239 /nfs/dbraw/zinc/68/32/39/345683239.db2.gz FVNVASQYMQLPTH-VIFPVBQESA-N -1 3 243.314 2.021 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2ccc(O)cc2)n1 ZINC000141868789 345852614 /nfs/dbraw/zinc/85/26/14/345852614.db2.gz MOCVDHDLGGYGAT-QPJJXVBHSA-N -1 3 228.251 2.367 20 0 BEADHM CCC(C)(C)N(C)C(=O)c1cc(F)c[n-]c1=O ZINC000635582439 345878830 /nfs/dbraw/zinc/87/88/30/345878830.db2.gz RXZNNAOCJAMLFL-UHFFFAOYSA-N -1 3 240.278 2.187 20 0 BEADHM C[C@@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC000136183032 345953533 /nfs/dbraw/zinc/95/35/33/345953533.db2.gz BQEKVKRLCJKSQX-VIFPVBQESA-N -1 3 219.284 2.168 20 0 BEADHM Cc1ccc(C[S@](=O)c2cccc([O-])c2)nc1 ZINC000585744314 345987304 /nfs/dbraw/zinc/98/73/04/345987304.db2.gz TVBXNGICSUIMMQ-KRWDZBQOSA-N -1 3 247.319 2.403 20 0 BEADHM Cc1cccc(C(=O)N2C[C@@H](C)[C@H](C)C2)c1[O-] ZINC000091439034 179012095 /nfs/dbraw/zinc/01/20/95/179012095.db2.gz QTAZECCBAPRHNH-GHMZBOCLSA-N -1 3 233.311 2.429 20 0 BEADHM Cc1cccc(C(=O)NCC(C)C)c1[O-] ZINC000019837234 179014243 /nfs/dbraw/zinc/01/42/43/179014243.db2.gz JJDQQLRBAJCQFB-UHFFFAOYSA-N -1 3 207.273 2.086 20 0 BEADHM Cc1cccc(C(=O)NC2CC(F)(F)C2)c1[O-] ZINC000277686217 179015036 /nfs/dbraw/zinc/01/50/36/179015036.db2.gz WYNORUOQJSCRQF-UHFFFAOYSA-N -1 3 241.237 2.228 20 0 BEADHM Cc1cccc(C(=O)NCCC2CC2)c1[O-] ZINC000083895226 179015992 /nfs/dbraw/zinc/01/59/92/179015992.db2.gz ABHJDULKNZRJNV-UHFFFAOYSA-N -1 3 219.284 2.231 20 0 BEADHM Cc1cccc(C(=O)NC[C@H]2C[C@H]2C)c1[O-] ZINC000135993986 179018879 /nfs/dbraw/zinc/01/88/79/179018879.db2.gz PQDOXZOKMMSLGB-NXEZZACHSA-N -1 3 219.284 2.086 20 0 BEADHM Cc1cccc(C(=O)NCc2ccncc2)c1[O-] ZINC000021815470 179019270 /nfs/dbraw/zinc/01/92/70/179019270.db2.gz OZJDQXDQXQTTSX-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM Cc1cccc(C(=O)NOC2CCCC2)c1[O-] ZINC000135688592 179019868 /nfs/dbraw/zinc/01/98/68/179019868.db2.gz NCCQYMFQEALXQZ-UHFFFAOYSA-N -1 3 235.283 2.305 20 0 BEADHM Cc1cccc(F)c1S(=O)(=O)[N-]C(C)(C)C ZINC000186000245 179111229 /nfs/dbraw/zinc/11/12/29/179111229.db2.gz UUVGDHKWXXJTRD-UHFFFAOYSA-N -1 3 245.319 2.211 20 0 BEADHM Cc1ccc(NC(=O)Cc2cncs2)c([O-])c1 ZINC000187291464 346565032 /nfs/dbraw/zinc/56/50/32/346565032.db2.gz BRULZDFIQWEUDR-UHFFFAOYSA-N -1 3 248.307 2.338 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCOC[C@H]1C ZINC000192844540 365843316 /nfs/dbraw/zinc/84/33/16/365843316.db2.gz QRMKKGXGBXDQGN-GHMZBOCLSA-N -1 3 249.310 2.312 20 0 BEADHM Cc1cccc([O-])c1NC(=O)C[C@H]1CCOC1 ZINC000334270335 179160123 /nfs/dbraw/zinc/16/01/23/179160123.db2.gz SCDUQTGOLHSQQZ-SNVBAGLBSA-N -1 3 235.283 2.066 20 0 BEADHM Cc1cccc([O-])c1NC(=O)C1=COCCC1 ZINC000179559683 179160711 /nfs/dbraw/zinc/16/07/11/179160711.db2.gz GPYLKHVNAKMFCR-UHFFFAOYSA-N -1 3 233.267 2.333 20 0 BEADHM Cc1cccc([O-])c1NC(=O)COC(C)C ZINC000352638060 179161306 /nfs/dbraw/zinc/16/13/06/179161306.db2.gz REEPJAZQEWHZND-UHFFFAOYSA-N -1 3 223.272 2.064 20 0 BEADHM Cc1cccc([O-])c1NC(=O)c1cccc(=O)[nH]1 ZINC000336235047 179162058 /nfs/dbraw/zinc/16/20/58/179162058.db2.gz DNVFTFCFSMAHDR-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM CCC1(NC(=O)c2cccc3nn[n-]c32)CCC1 ZINC000188282241 346798375 /nfs/dbraw/zinc/79/83/75/346798375.db2.gz XAIOWFUVHZGBOM-UHFFFAOYSA-N -1 3 244.298 2.020 20 0 BEADHM CCC1(NC(=O)c2cccc3[n-]nnc32)CCC1 ZINC000188282241 346798376 /nfs/dbraw/zinc/79/83/76/346798376.db2.gz XAIOWFUVHZGBOM-UHFFFAOYSA-N -1 3 244.298 2.020 20 0 BEADHM CCC1(NC(=O)c2cccc3n[n-]nc32)CCC1 ZINC000188282241 346798378 /nfs/dbraw/zinc/79/83/78/346798378.db2.gz XAIOWFUVHZGBOM-UHFFFAOYSA-N -1 3 244.298 2.020 20 0 BEADHM CC[C@@H]1C[C@H]1CNC(=O)c1ccc([O-])c(C)c1 ZINC000388032415 347162244 /nfs/dbraw/zinc/16/22/44/347162244.db2.gz JCPGSEHVFSLLGZ-PWSUYJOCSA-N -1 3 233.311 2.477 20 0 BEADHM O=C([O-])[C@H](C1CC1)N1CC=C(C(F)(F)F)CC1 ZINC000382527530 347351261 /nfs/dbraw/zinc/35/12/61/347351261.db2.gz HTSMJIDZCYURLY-VIFPVBQESA-N -1 3 249.232 2.044 20 0 BEADHM CCO[C@@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616942046 347510994 /nfs/dbraw/zinc/51/09/94/347510994.db2.gz OGLWVLWRXIVQKB-ZETCQYMHSA-N -1 3 243.690 2.409 20 0 BEADHM CC[C@@H](C)N(CC)C(=O)c1csc(=O)[n-]1 ZINC000616977649 347559639 /nfs/dbraw/zinc/55/96/39/347559639.db2.gz JGARGDVWZMLZBL-SSDOTTSWSA-N -1 3 228.317 2.109 20 0 BEADHM Cc1ccc([O-])c(CNC[C@@H](C)C(F)(F)F)n1 ZINC000359100515 187379080 /nfs/dbraw/zinc/37/90/80/187379080.db2.gz HMGHSPFFYROUAH-SSDOTTSWSA-N -1 3 248.248 2.384 20 0 BEADHM CC(C)COCCC(=O)Nc1ccccc1[O-] ZINC000359383594 187380364 /nfs/dbraw/zinc/38/03/64/187380364.db2.gz DYYSWJKEWDEKEN-UHFFFAOYSA-N -1 3 237.299 2.393 20 0 BEADHM Nc1cccc(C(=O)Nc2ccccc2[O-])c1 ZINC000070216734 349977964 /nfs/dbraw/zinc/97/79/64/349977964.db2.gz BQXXZDRDOAAYGD-UHFFFAOYSA-N -1 3 228.251 2.227 20 0 BEADHM Cc1ccc(NC(=O)/C=C/[C@@H]2CCOC2)c([O-])c1 ZINC000493691366 348018082 /nfs/dbraw/zinc/01/80/82/348018082.db2.gz PYDMOHCXECQTGJ-JOAKQRRISA-N -1 3 247.294 2.232 20 0 BEADHM Cc1ncc(CNCc2ccc([O-])c(F)c2)o1 ZINC000397880126 362929839 /nfs/dbraw/zinc/92/98/39/362929839.db2.gz MCFQFCSGEXWQBH-UHFFFAOYSA-N -1 3 236.246 2.118 20 0 BEADHM CC[C@@H]1CCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000248759052 349149269 /nfs/dbraw/zinc/14/92/69/349149269.db2.gz QHOMXFSGHQVYCT-GHMZBOCLSA-N -1 3 235.331 2.284 20 0 BEADHM C[C@@H]1CCN(Cc2ccoc2C(=O)[O-])C[C@H]1C ZINC000253078536 349225888 /nfs/dbraw/zinc/22/58/88/349225888.db2.gz TVDLWEDQNSGPRY-NXEZZACHSA-N -1 3 237.299 2.456 20 0 BEADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])o2)C[C@H]1C ZINC000253062882 349226271 /nfs/dbraw/zinc/22/62/71/349226271.db2.gz GFGSHFCUUYEMAE-NXEZZACHSA-N -1 3 237.299 2.456 20 0 BEADHM CS[C@@H](C)CNC(=O)c1c(C)cccc1[O-] ZINC000599706142 349249649 /nfs/dbraw/zinc/24/96/49/349249649.db2.gz DMEDTZHHXCUDIG-VIFPVBQESA-N -1 3 239.340 2.182 20 0 BEADHM CSCCOc1ccc2c([O-])coc2c1C ZINC000601926237 349382387 /nfs/dbraw/zinc/38/23/87/349382387.db2.gz WMGOOYZMPANYMG-UHFFFAOYSA-N -1 3 238.308 2.312 20 0 BEADHM CCN(Cc1ccc(C(=O)[O-])s1)C1CC1 ZINC000071026320 350081495 /nfs/dbraw/zinc/08/14/95/350081495.db2.gz SBJSIZBFGCNHKQ-UHFFFAOYSA-N -1 3 225.313 2.431 20 0 BEADHM CN(CCCCCC(=O)[O-])Cc1ccco1 ZINC000070652398 350039367 /nfs/dbraw/zinc/03/93/67/350039367.db2.gz WBUATOUSVZNYFY-UHFFFAOYSA-N -1 3 225.288 2.356 20 0 BEADHM CC[C@H]1CC[C@@H](C)N1Cc1oncc1C(=O)[O-] ZINC000304629445 350158894 /nfs/dbraw/zinc/15/88/94/350158894.db2.gz QKQYEJPJHZJUGM-BDAKNGLRSA-N -1 3 238.287 2.136 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@@]23C[C@@H]2CCC3)c1 ZINC000617202297 350345138 /nfs/dbraw/zinc/34/51/38/350345138.db2.gz NCALPBZWOWVOKN-XPTSAGLGSA-N -1 3 247.294 2.073 20 0 BEADHM Cc1cc(C(=O)N[C@@]23C[C@@H]2CCC3)ccc1[O-] ZINC000617212069 350381435 /nfs/dbraw/zinc/38/14/35/350381435.db2.gz STBDKGFBQJNPBN-FZMZJTMJSA-N -1 3 231.295 2.373 20 0 BEADHM Cc1ncsc1C[N-]c1nnc(C(F)F)o1 ZINC000189285757 180323871 /nfs/dbraw/zinc/32/38/71/180323871.db2.gz YRVWATAJDNVAJQ-UHFFFAOYSA-N -1 3 246.242 2.384 20 0 BEADHM COc1ccc(C(=O)N2C[C@@H](C)C[C@H]2C)c([O-])c1 ZINC000162940957 350474346 /nfs/dbraw/zinc/47/43/46/350474346.db2.gz HJKIJUBPMSZUFL-VHSXEESVSA-N -1 3 249.310 2.271 20 0 BEADHM CC1(CNC(=O)c2cccc([O-])c2)CCC1 ZINC000227617077 350504180 /nfs/dbraw/zinc/50/41/80/350504180.db2.gz FITXYCSAKGLUOJ-UHFFFAOYSA-N -1 3 219.284 2.312 20 0 BEADHM CC(C)=CCC[C@H](C)NC(=O)c1cc(=O)[n-]cn1 ZINC000627594381 350522973 /nfs/dbraw/zinc/52/29/73/350522973.db2.gz UHPZLPASXOBVQV-JTQLQIEISA-N -1 3 249.314 2.047 20 0 BEADHM Cc1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](C)C1 ZINC000095210998 350656445 /nfs/dbraw/zinc/65/64/45/350656445.db2.gz FVNVASQYMQLPTH-SECBINFHSA-N -1 3 243.314 2.021 20 0 BEADHM Cc1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](C)C1 ZINC000095210998 350656448 /nfs/dbraw/zinc/65/64/48/350656448.db2.gz FVNVASQYMQLPTH-SECBINFHSA-N -1 3 243.314 2.021 20 0 BEADHM CC(C)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000007212375 191123486 /nfs/dbraw/zinc/12/34/86/191123486.db2.gz GUGLJGUYTAJONO-VIFPVBQESA-N -1 3 245.319 2.149 20 0 BEADHM CC1(C)CCC[C@@H](C(=O)Nc2ccncc2[O-])C1 ZINC000339600465 350767242 /nfs/dbraw/zinc/76/72/42/350767242.db2.gz VSHQXUYORVCLDE-SNVBAGLBSA-N -1 3 248.326 2.364 20 0 BEADHM CC[C@@H](OC)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000270119636 351374383 /nfs/dbraw/zinc/37/43/83/351374383.db2.gz QVHRPXSLWFVGCS-SNVBAGLBSA-N -1 3 243.690 2.409 20 0 BEADHM CC(C)CC[C@H](C)Nc1nc2nncc-2c(O)[n-]1 ZINC000277233494 351690453 /nfs/dbraw/zinc/69/04/53/351690453.db2.gz NKUNZLQOHWMNIO-QMMMGPOBSA-N -1 3 249.318 2.295 20 0 BEADHM O=C([N-]C[C@@H]1CC2CCC1CC2)C(F)(F)F ZINC000307425519 352592622 /nfs/dbraw/zinc/59/26/22/352592622.db2.gz ORJPDZGADMLXIM-HACHORDNSA-N -1 3 235.249 2.491 20 0 BEADHM O=C([N-]C[C@H]1CC2CCC1CC2)C(F)(F)F ZINC000307425517 352592774 /nfs/dbraw/zinc/59/27/74/352592774.db2.gz ORJPDZGADMLXIM-AMDVSUOASA-N -1 3 235.249 2.491 20 0 BEADHM Cc1co[n-]c1=NC(=O)c1ccoc1C1CC1 ZINC000334217794 352818437 /nfs/dbraw/zinc/81/84/37/352818437.db2.gz DGAFGMRZDQOCNO-UHFFFAOYSA-N -1 3 232.239 2.128 20 0 BEADHM CCc1nc(C(=O)[N-]c2c(C)noc2C)c(C)o1 ZINC000334203289 352796764 /nfs/dbraw/zinc/79/67/64/352796764.db2.gz TVTKUFAFCWSEGN-UHFFFAOYSA-N -1 3 249.270 2.403 20 0 BEADHM C[C@H]1CC[C@@H](N(C)C(=O)c2ccc(O)cc2[O-])C1 ZINC000334249881 352842853 /nfs/dbraw/zinc/84/28/53/352842853.db2.gz ZLULDAJWQXKVAE-VHSXEESVSA-N -1 3 249.310 2.358 20 0 BEADHM Cc1ccc(C(=O)N(C)CC(F)F)c([O-])c1C ZINC000152295715 353158958 /nfs/dbraw/zinc/15/89/58/353158958.db2.gz JHVAOHIJPIMFFH-UHFFFAOYSA-N -1 3 243.253 2.346 20 0 BEADHM CC(C)(C)c1ccc(O)c([N-]S(C)(=O)=O)c1 ZINC000035132924 188111606 /nfs/dbraw/zinc/11/16/06/188111606.db2.gz VXFSHHOHISJWBN-UHFFFAOYSA-N -1 3 243.328 2.061 20 0 BEADHM CN(CC1CC1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000077373852 188136130 /nfs/dbraw/zinc/13/61/30/188136130.db2.gz DZBCOQWNBVOQCJ-GFCCVEGCSA-N -1 3 237.274 2.293 20 0 BEADHM CC(C)[C@H](C)CC(=O)[N-]OCc1cccnc1 ZINC000152580428 188157758 /nfs/dbraw/zinc/15/77/58/188157758.db2.gz GJYFBAZIDFGRMM-LLVKDONJSA-N -1 3 236.315 2.312 20 0 BEADHM CC(C)(CF)NCc1cc([O-])cc(F)c1 ZINC000336756377 188171357 /nfs/dbraw/zinc/17/13/57/188171357.db2.gz JITWBFUOWIJLKS-UHFFFAOYSA-N -1 3 215.243 2.369 20 0 BEADHM CC(C)(NC(=O)c1cccc([O-])c1)C1CC1 ZINC000227616301 535241295 /nfs/dbraw/zinc/24/12/95/535241295.db2.gz IVBNROXWBVFTNT-UHFFFAOYSA-N -1 3 219.284 2.311 20 0 BEADHM Cc1cccc(C(=O)N2CC[C@@H]2C2CC2)c1[O-] ZINC000334528789 353904654 /nfs/dbraw/zinc/90/46/54/353904654.db2.gz VNLVNIARJYJFPL-GFCCVEGCSA-N -1 3 231.295 2.325 20 0 BEADHM Cc1ccoc1C(=O)[N-]c1ncn(C(C)(C)C)n1 ZINC000334591182 354221902 /nfs/dbraw/zinc/22/19/02/354221902.db2.gz VOFKZXNPOQETFY-UHFFFAOYSA-N -1 3 248.286 2.187 20 0 BEADHM Cc1ccsc1CNCc1cnc(C)[n-]c1=O ZINC000344330099 354226597 /nfs/dbraw/zinc/22/65/97/354226597.db2.gz NPKOQJYLBVDUHR-UHFFFAOYSA-N -1 3 249.339 2.150 20 0 BEADHM Cc1ccc(NC(=O)c2cnnc(C)c2)c([O-])c1 ZINC000344761760 354355926 /nfs/dbraw/zinc/35/59/26/354355926.db2.gz QMNHOACBYTUQMX-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM CC(C)(C)C1CN(C(=O)c2c([O-])cccc2O)C1 ZINC000334642707 354399234 /nfs/dbraw/zinc/39/92/34/354399234.db2.gz HEERMSWBMFSQCK-UHFFFAOYSA-N -1 3 249.310 2.216 20 0 BEADHM CCN(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000334673215 354415408 /nfs/dbraw/zinc/41/54/08/354415408.db2.gz RGJHWDSDAFARIB-UHFFFAOYSA-N -1 3 249.310 2.198 20 0 BEADHM Cc1o[n-]c(=NC(=O)c2cc(C(C)C)on2)c1C ZINC000334662104 354461458 /nfs/dbraw/zinc/46/14/58/354461458.db2.gz VKAIXNWBALRQSH-UHFFFAOYSA-N -1 3 249.270 2.077 20 0 BEADHM CSCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000179191836 366220608 /nfs/dbraw/zinc/22/06/08/366220608.db2.gz LTOPHFNUYRWPKW-UHFFFAOYSA-N -1 3 231.704 2.347 20 0 BEADHM Cc1csc(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000334809256 354565775 /nfs/dbraw/zinc/56/57/75/354565775.db2.gz CPQBEGNWGUZBOT-UHFFFAOYSA-N -1 3 233.358 2.133 20 0 BEADHM CN(C(=O)Cc1ccc([O-])cc1Cl)C1CC1 ZINC000335104947 354689028 /nfs/dbraw/zinc/68/90/28/354689028.db2.gz RKIRZLURWBSBPX-UHFFFAOYSA-N -1 3 239.702 2.209 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2CC(CC)C2)c1 ZINC000335119319 354724359 /nfs/dbraw/zinc/72/43/59/354724359.db2.gz STTXCBLBCDGLRY-UHFFFAOYSA-N -1 3 233.311 2.437 20 0 BEADHM CC(C)CNC(=O)c1cc([O-])ccc1Cl ZINC000232602984 363376232 /nfs/dbraw/zinc/37/62/32/363376232.db2.gz QMNIYKMYWJIRNS-UHFFFAOYSA-N -1 3 227.691 2.431 20 0 BEADHM CN(C(=O)c1csc(=O)[n-]1)C1CC(C)(C)C1 ZINC000335128423 354775128 /nfs/dbraw/zinc/77/51/28/354775128.db2.gz BTLGWYNQVBGPJP-UHFFFAOYSA-N -1 3 240.328 2.109 20 0 BEADHM O=C(Nc1ncccc1[O-])c1ncccc1Cl ZINC000346302749 354889926 /nfs/dbraw/zinc/88/99/26/354889926.db2.gz FMYFSOYABCQCEQ-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM Cc1ccc(C(=O)N2CC(CF)C2)c([O-])c1C ZINC000335208904 355045257 /nfs/dbraw/zinc/04/52/57/355045257.db2.gz CAOUKXPUOOFIIP-UHFFFAOYSA-N -1 3 237.274 2.051 20 0 BEADHM Cc1cc(C(=O)NC[C@@H]2CC23CC3)ccc1[O-] ZINC000335195881 355028833 /nfs/dbraw/zinc/02/88/33/355028833.db2.gz VEIAHQZEGSOSNN-NSHDSACASA-N -1 3 231.295 2.231 20 0 BEADHM Cc1ncc(CN[C@H](C)c2ccsc2)c(=O)[n-]1 ZINC000346805421 355110135 /nfs/dbraw/zinc/11/01/35/355110135.db2.gz IPIPWQQORQFVEY-MRVPVSSYSA-N -1 3 249.339 2.403 20 0 BEADHM Cc1ncc(CN[C@H](C)c2cccs2)c(=O)[n-]1 ZINC000346806192 355110216 /nfs/dbraw/zinc/11/02/16/355110216.db2.gz JVVHTHFQMHRIFE-MRVPVSSYSA-N -1 3 249.339 2.403 20 0 BEADHM Cc1ccc([O-])c(C(=O)Nc2ccccn2)c1 ZINC000019837361 355182833 /nfs/dbraw/zinc/18/28/33/355182833.db2.gz ADFDRPGUENVUIR-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM CCC[C@H](N=c1ncnc2[nH][n-]cc1-2)C1CCC1 ZINC000413445529 191384291 /nfs/dbraw/zinc/38/42/91/191384291.db2.gz GSHOGZHKAPNXBA-NSHDSACASA-N -1 3 245.330 2.107 20 0 BEADHM CCC[C@@H](N=c1ncnc2[nH][n-]cc1-2)C1CCC1 ZINC000413445526 191385002 /nfs/dbraw/zinc/38/50/02/191385002.db2.gz GSHOGZHKAPNXBA-LLVKDONJSA-N -1 3 245.330 2.107 20 0 BEADHM O=C([O-])c1cc(CN2CCCCC2)cs1 ZINC000016943938 355322657 /nfs/dbraw/zinc/32/26/57/355322657.db2.gz DPIOAUTVMIXUPJ-UHFFFAOYSA-N -1 3 225.313 2.432 20 0 BEADHM C[C@@H]1CCCN(C(=O)c2csc(=O)[n-]2)[C@H]1C ZINC000335786888 355437182 /nfs/dbraw/zinc/43/71/82/355437182.db2.gz JXPWQNZJMVNJJI-SFYZADRCSA-N -1 3 240.328 2.109 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCO[C@H]1C ZINC000335809235 355483241 /nfs/dbraw/zinc/48/32/41/355483241.db2.gz PLDSTSZYMYMFRB-UWVGGRQHSA-N -1 3 235.283 2.064 20 0 BEADHM C[C@@H]1[C@@H](C(=O)Nc2ccc([O-])cc2F)C1(F)F ZINC000335856087 355600770 /nfs/dbraw/zinc/60/07/70/355600770.db2.gz BCYZCEXBRAZZDO-ANLVUFKYSA-N -1 3 245.200 2.371 20 0 BEADHM COc1cc(C(=O)NC2(C)CCCC2)ccc1[O-] ZINC000335867042 355632075 /nfs/dbraw/zinc/63/20/75/355632075.db2.gz GIALMCIVIYCZDC-UHFFFAOYSA-N -1 3 249.310 2.463 20 0 BEADHM Cc1[nH]nc(C(=O)Nc2cc(F)ccc2[O-])c1C ZINC000335868766 355634594 /nfs/dbraw/zinc/63/45/94/355634594.db2.gz CBAUPQZJBBVMLY-UHFFFAOYSA-N -1 3 249.245 2.124 20 0 BEADHM C[C@@]1(F)CCN(Cc2cc([O-])cc(F)c2)C1 ZINC000336068190 134070941 /nfs/dbraw/zinc/07/09/41/134070941.db2.gz FATTWUFHNUPOIB-GFCCVEGCSA-N -1 3 227.254 2.465 20 0 BEADHM CCc1cc(C(=O)N[C@@H]2CC[C@H]2C)ccc1[O-] ZINC000336092358 134078962 /nfs/dbraw/zinc/07/89/62/134078962.db2.gz NPRDBSDXFKGPID-BXKDBHETSA-N -1 3 233.311 2.483 20 0 BEADHM CCC(C)(C)[C@@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000617569164 356129781 /nfs/dbraw/zinc/12/97/81/356129781.db2.gz RIWOVEHVRKPQJW-SSDOTTSWSA-N -1 3 242.344 2.403 20 0 BEADHM CC[C@H](C)CCNC(=O)c1ccc2n[n-]nc2c1 ZINC000617634247 356218210 /nfs/dbraw/zinc/21/82/10/356218210.db2.gz SBQQPHIRFVMYFL-VIFPVBQESA-N -1 3 246.314 2.124 20 0 BEADHM COc1cc(C(=O)N(C)[C@H]2CC2(C)C)ccc1[O-] ZINC000336112233 134087254 /nfs/dbraw/zinc/08/72/54/134087254.db2.gz WGZMUKKOOILQNP-LBPRGKRZSA-N -1 3 249.310 2.271 20 0 BEADHM Cc1ccc(C(=O)N2[C@H](C)C[C@@H]2C)c([O-])c1 ZINC000336157958 134106644 /nfs/dbraw/zinc/10/66/44/134106644.db2.gz PUMYLYTYKZRWJT-AOOOYVTPSA-N -1 3 219.284 2.324 20 0 BEADHM CCc1ccc(CN2CCC[C@H]2CC(=O)[O-])nc1 ZINC000379283004 356439842 /nfs/dbraw/zinc/43/98/42/356439842.db2.gz RLFLDKRHEVXDST-ZDUSSCGKSA-N -1 3 248.326 2.083 20 0 BEADHM CCc1cccc(-c2nc(N(C)C)no2)c1[O-] ZINC000350566136 366298781 /nfs/dbraw/zinc/29/87/81/366298781.db2.gz DIJREHLUEZAFGL-UHFFFAOYSA-N -1 3 233.271 2.071 20 0 BEADHM CCc1cccc(-c2nc(C)no2)c1[O-] ZINC000350570195 366300221 /nfs/dbraw/zinc/30/02/21/366300221.db2.gz NNDGMVNLUNHWAO-UHFFFAOYSA-N -1 3 204.229 2.313 20 0 BEADHM CCc1cccc(-c2nc(COC)no2)c1[O-] ZINC000350577183 366301556 /nfs/dbraw/zinc/30/15/56/366301556.db2.gz UNJMGSZHQLGMDB-UHFFFAOYSA-N -1 3 234.255 2.151 20 0 BEADHM CC[C@@H]1C[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000449910290 202052848 /nfs/dbraw/zinc/05/28/48/202052848.db2.gz DLPHXKDSOMRHRI-NXEZZACHSA-N -1 3 237.274 2.194 20 0 BEADHM O=C([O-])[C@@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000035297234 356704184 /nfs/dbraw/zinc/70/41/84/356704184.db2.gz JBQMFVMOYTVBOB-YOIVXCQUSA-N -1 3 245.322 2.496 20 0 BEADHM Cc1ccc([O-])c(C(=O)N(C)C(C)C)c1 ZINC000019837637 356707073 /nfs/dbraw/zinc/70/70/73/356707073.db2.gz ZCHZOFVSPMVBAQ-UHFFFAOYSA-N -1 3 207.273 2.181 20 0 BEADHM CC[C@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC000324156836 356756844 /nfs/dbraw/zinc/75/68/44/356756844.db2.gz ZDNRYKCCIILZKJ-NSHDSACASA-N -1 3 219.284 2.311 20 0 BEADHM CCCCNC(=O)c1c(C)cccc1[O-] ZINC000623363746 356815565 /nfs/dbraw/zinc/81/55/65/356815565.db2.gz DCLHCFJATPURQM-UHFFFAOYSA-N -1 3 207.273 2.231 20 0 BEADHM CC(=O)c1[n-]c(=N[C@@H]2CC[C@H]2C)sc1C ZINC000450535870 202192565 /nfs/dbraw/zinc/19/25/65/202192565.db2.gz QHIRFXIZUHIDAW-HZGVNTEJSA-N -1 3 224.329 2.286 20 0 BEADHM CC(=O)c1[n-]c(=N[C@H]2C[C@@H]2C(F)F)sc1C ZINC000450535859 202193220 /nfs/dbraw/zinc/19/32/20/202193220.db2.gz QFIONNCHRUBGPG-BQBZGAKWSA-N -1 3 246.282 2.142 20 0 BEADHM O=c1cc(-c2noc(C3CCCCC3)n2)nc[n-]1 ZINC000351377667 357150491 /nfs/dbraw/zinc/15/04/91/357150491.db2.gz UXCINXCBXRBFDW-UHFFFAOYSA-N -1 3 246.270 2.280 20 0 BEADHM COc1ccc(NC(=O)CC(C)(F)F)c([O-])c1 ZINC000430335366 538858756 /nfs/dbraw/zinc/85/87/56/538858756.db2.gz WWSJNJTXICAAHN-UHFFFAOYSA-N -1 3 245.225 2.385 20 0 BEADHM C[C@@H](CC(F)(F)F)NC(=O)c1cccc([O-])c1 ZINC000231901911 357639211 /nfs/dbraw/zinc/63/92/11/357639211.db2.gz BHMVYVBSQUAJIB-ZETCQYMHSA-N -1 3 247.216 2.463 20 0 BEADHM Cc1cc(C(=O)Nc2ccccc2[O-])cc(=O)[nH]1 ZINC000180147082 366384736 /nfs/dbraw/zinc/38/47/36/366384736.db2.gz ODCKJXJFYKCCPH-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM CCO[C@@H](C(=O)Nc1ccc(C)cc1[O-])C1CC1 ZINC000623416391 357827180 /nfs/dbraw/zinc/82/71/80/357827180.db2.gz TXVRHVCJQHOSSY-CYBMUJFWSA-N -1 3 249.310 2.454 20 0 BEADHM C[C@H]1CCN(Cc2ncccc2[O-])CCS1 ZINC000564305727 325295339 /nfs/dbraw/zinc/29/53/39/325295339.db2.gz YSMYDUIZAFSSFU-JTQLQIEISA-N -1 3 238.356 2.115 20 0 BEADHM C[C@H]1C[C@H](C)CN(Cc2occc2C(=O)[O-])C1 ZINC000035432899 357992033 /nfs/dbraw/zinc/99/20/33/357992033.db2.gz RIFBVQQMNWTQKS-UWVGGRQHSA-N -1 3 237.299 2.456 20 0 BEADHM CC[C@H](C)CN(C)Cc1ccc(C(=O)[O-])o1 ZINC000037173669 358059789 /nfs/dbraw/zinc/05/97/89/358059789.db2.gz VVBBDWVWKHSLKJ-VIFPVBQESA-N -1 3 225.288 2.456 20 0 BEADHM CC[C@@H](C)N(C)Cc1ccoc1C(=O)[O-] ZINC000037110540 358064770 /nfs/dbraw/zinc/06/47/70/358064770.db2.gz NLVNZPQSVPZGMN-MRVPVSSYSA-N -1 3 211.261 2.208 20 0 BEADHM Cc1cc(CN2CCC[C@@H]2C)oc1C(=O)[O-] ZINC000037911380 358097307 /nfs/dbraw/zinc/09/73/07/358097307.db2.gz IRXCHRRNKNIMJO-VIFPVBQESA-N -1 3 223.272 2.271 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)S[C@H](C)CCO)n1 ZINC000610863232 358218740 /nfs/dbraw/zinc/21/87/40/358218740.db2.gz SJIKDYIKHHEQEC-BDAKNGLRSA-N -1 3 242.344 2.056 20 0 BEADHM Cc1cc(CN2CC[C@@H](C)C2)oc1C(=O)[O-] ZINC000040718733 358245803 /nfs/dbraw/zinc/24/58/03/358245803.db2.gz FHYOXTDFJUSZOY-MRVPVSSYSA-N -1 3 223.272 2.128 20 0 BEADHM Cc1[nH]nc(NC(=O)c2ccc([O-])c(C)c2)c1C ZINC000227025933 358347480 /nfs/dbraw/zinc/34/74/80/358347480.db2.gz XLSVHYSQTMMVCV-UHFFFAOYSA-N -1 3 245.282 2.293 20 0 BEADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1C[C@@H]1C1CC1 ZINC000176165040 134289392 /nfs/dbraw/zinc/28/93/92/134289392.db2.gz XZUZNVAZWNKJPL-MNOVXSKESA-N -1 3 249.285 2.194 20 0 BEADHM O=C1CC[C@H](c2nc(-c3ccc([O-])cc3)no2)C1 ZINC000351358878 366514881 /nfs/dbraw/zinc/51/48/81/366514881.db2.gz FZOZBYLWTXWBTN-VIFPVBQESA-N -1 3 244.250 2.279 20 0 BEADHM CCCC1(c2nc(-c3cc(=O)[n-]cn3)no2)CC1 ZINC000351367530 366517861 /nfs/dbraw/zinc/51/78/61/366517861.db2.gz ITWQAHCSWNLEPD-UHFFFAOYSA-N -1 3 246.270 2.064 20 0 BEADHM CCC(CC)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351374073 366518204 /nfs/dbraw/zinc/51/82/04/366518204.db2.gz RDAIQEUYXVMGCH-UHFFFAOYSA-N -1 3 234.259 2.136 20 0 BEADHM CC[C@@]1(C)C[C@H]1c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351375284 366520435 /nfs/dbraw/zinc/52/04/35/366520435.db2.gz RYDOFMJFTAYGFN-MADCSZMMSA-N -1 3 246.270 2.136 20 0 BEADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000057102524 358903151 /nfs/dbraw/zinc/90/31/51/358903151.db2.gz QWCXZWCOGRWLMO-RKDXNWHRSA-N -1 3 247.385 2.461 20 0 BEADHM CC1(C)CC[C@H]1NC(=O)c1ccccc1[O-] ZINC000286613941 359370473 /nfs/dbraw/zinc/37/04/73/359370473.db2.gz AACXWECUQMGMDY-LLVKDONJSA-N -1 3 219.284 2.311 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000626693653 359491898 /nfs/dbraw/zinc/49/18/98/359491898.db2.gz MYAKMCDSWGQOIS-DDFAGTSDSA-N -1 3 231.295 2.229 20 0 BEADHM CC[C@H]1CCC[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000332972996 359533402 /nfs/dbraw/zinc/53/34/02/359533402.db2.gz NNHDWTSKWJOFMF-YUMQZZPRSA-N -1 3 240.328 2.157 20 0 BEADHM CCc1ccc(NC(=O)c2cnn[n-]2)cc1CC ZINC000180754345 366542723 /nfs/dbraw/zinc/54/27/23/366542723.db2.gz JMDDYQMTGHBYKA-UHFFFAOYSA-N -1 3 244.298 2.182 20 0 BEADHM CCc1ccc(NC(=O)c2c[n-]nn2)cc1CC ZINC000180754345 366542731 /nfs/dbraw/zinc/54/27/31/366542731.db2.gz JMDDYQMTGHBYKA-UHFFFAOYSA-N -1 3 244.298 2.182 20 0 BEADHM CCc1ccc(NC(=O)c2cn[n-]n2)cc1CC ZINC000180754345 366542737 /nfs/dbraw/zinc/54/27/37/366542737.db2.gz JMDDYQMTGHBYKA-UHFFFAOYSA-N -1 3 244.298 2.182 20 0 BEADHM Cc1ccc(NC(=O)c2cnn[n-]2)cc1Cl ZINC000088342080 359948057 /nfs/dbraw/zinc/94/80/57/359948057.db2.gz RWWVSNMQTMEMCS-UHFFFAOYSA-N -1 3 236.662 2.019 20 0 BEADHM Cc1ccc(NC(=O)c2c[n-]nn2)cc1Cl ZINC000088342080 359948059 /nfs/dbraw/zinc/94/80/59/359948059.db2.gz RWWVSNMQTMEMCS-UHFFFAOYSA-N -1 3 236.662 2.019 20 0 BEADHM Cc1ccc(NC(=O)c2cn[n-]n2)cc1Cl ZINC000088342080 359948062 /nfs/dbraw/zinc/94/80/62/359948062.db2.gz RWWVSNMQTMEMCS-UHFFFAOYSA-N -1 3 236.662 2.019 20 0 BEADHM CCc1cccc(C(=O)N[C@H]2CC[C@@H]2C)c1[O-] ZINC000578782003 366647600 /nfs/dbraw/zinc/64/76/00/366647600.db2.gz ZPQXTGIZSJEQKS-CABZTGNLSA-N -1 3 233.311 2.483 20 0 BEADHM CCc1nocc1C(=O)[N-]c1csc(C)n1 ZINC000612878104 360141617 /nfs/dbraw/zinc/14/16/17/360141617.db2.gz CGEUOFQCFLJTAL-UHFFFAOYSA-N -1 3 237.284 2.254 20 0 BEADHM Cc1ccc([O-])c(CNc2cccnc2C)n1 ZINC000091995832 360144487 /nfs/dbraw/zinc/14/44/87/360144487.db2.gz DTBARTUDWBUQNB-UHFFFAOYSA-N -1 3 229.283 2.411 20 0 BEADHM Cc1ncccc1NC(=O)c1cccc([O-])c1 ZINC000091497363 360118460 /nfs/dbraw/zinc/11/84/60/360118460.db2.gz MZQYWGIUSQKINT-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM CCCC[C@H](O)CCC(=O)[N-]OC[C@H](C)CC ZINC001641613015 1172273612 /nfs/dbraw/zinc/27/36/12/1172273612.db2.gz QSAZHJVBKGFQHE-NEPJUHHUSA-N -1 3 245.363 2.412 20 0 BEADHM COC[C@H](C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000094822826 360322140 /nfs/dbraw/zinc/32/21/40/360322140.db2.gz BOJJCWRWMLQHFZ-SNVBAGLBSA-N -1 3 237.299 2.312 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)n1 ZINC000614165379 363727282 /nfs/dbraw/zinc/72/72/82/363727282.db2.gz XMOGHSDMFZRJAL-MYJAWHEDSA-N -1 3 232.283 2.080 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)N(C1CC1)C1CC1 ZINC000628812840 360664681 /nfs/dbraw/zinc/66/46/81/360664681.db2.gz LFTGXSBRLFWXSY-UHFFFAOYSA-N -1 3 249.285 2.227 20 0 BEADHM C[C@@H]1C[C@@H]1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000629360967 361009611 /nfs/dbraw/zinc/00/96/11/361009611.db2.gz ZJLTYYKTNKPVQA-MPKXVKKWSA-N -1 3 245.322 2.326 20 0 BEADHM O=C([O-])[C@@H]1c2ccoc2CCN1CC1=CCCC1 ZINC000629366013 361020060 /nfs/dbraw/zinc/02/00/60/361020060.db2.gz IHNFALHSFMPOSD-ZDUSSCGKSA-N -1 3 247.294 2.374 20 0 BEADHM CC(C)[C@H]1C[C@H]1C(=O)Nc1cccc2n[n-]nc21 ZINC000640380613 361189299 /nfs/dbraw/zinc/18/92/99/361189299.db2.gz UZJBEJGIORDIEX-RKDXNWHRSA-N -1 3 244.298 2.189 20 0 BEADHM O=C(Nc1cccc2n[n-]nc21)[C@@H]1CC12CCC2 ZINC000640380231 361190262 /nfs/dbraw/zinc/19/02/62/361190262.db2.gz QCRKDGJJMGPCON-QMMMGPOBSA-N -1 3 242.282 2.087 20 0 BEADHM O=C(C[C@@H]1C=CCC1)Nc1cccc2n[n-]nc21 ZINC000640378977 361191231 /nfs/dbraw/zinc/19/12/31/361191231.db2.gz ARSUIAKQVBOPME-SECBINFHSA-N -1 3 242.282 2.253 20 0 BEADHM O=C(CC1CCCC1)Nc1cccc2n[n-]nc21 ZINC000640381132 361193553 /nfs/dbraw/zinc/19/35/53/361193553.db2.gz JUYCZKYLGGAOFP-UHFFFAOYSA-N -1 3 244.298 2.477 20 0 BEADHM CO[C@@H]1CC[C@@H](C(=O)Nc2c(C)cccc2[O-])C1 ZINC000613205595 361200024 /nfs/dbraw/zinc/20/00/24/361200024.db2.gz FIHXDOIZGPPDQJ-GHMZBOCLSA-N -1 3 249.310 2.454 20 0 BEADHM Cc1ccc(F)c(CN[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000578995344 366689998 /nfs/dbraw/zinc/68/99/98/366689998.db2.gz JBUFBWVMBUCXEP-NXEZZACHSA-N -1 3 239.290 2.333 20 0 BEADHM COC(=O)c1cc(C(=O)Nc2ccccc2)c[n-]1 ZINC000431242083 192911245 /nfs/dbraw/zinc/91/12/45/192911245.db2.gz JNZDXAZJSCTKEY-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM Cc1ccc(C(=O)NCC[C@@H](C)F)c([O-])c1C ZINC000436539507 201330632 /nfs/dbraw/zinc/33/06/32/201330632.db2.gz WIFBWOFECNZMGD-SECBINFHSA-N -1 3 239.290 2.487 20 0 BEADHM C[C@H](c1ccco1)N(C)CCCC(=O)[O-] ZINC000082250030 361694531 /nfs/dbraw/zinc/69/45/31/361694531.db2.gz LLOFWQDUVZSSTQ-SECBINFHSA-N -1 3 211.261 2.137 20 0 BEADHM CC(C)c1ccc(C(=O)N[C@H]2CCOC2)c([O-])c1 ZINC000436518215 201332249 /nfs/dbraw/zinc/33/22/49/201332249.db2.gz ZWMCMPHWCIGGRC-NSHDSACASA-N -1 3 249.310 2.034 20 0 BEADHM CCc1ccc(C(=O)N[C@@H]2CC[C@H]2C)c([O-])c1 ZINC000436711282 201333918 /nfs/dbraw/zinc/33/39/18/201333918.db2.gz GHODYCRKMKRFPJ-BXKDBHETSA-N -1 3 233.311 2.483 20 0 BEADHM CCc1cc(C(=O)N[C@@H]2C[C@H]2CC)ccc1[O-] ZINC000436716996 201336485 /nfs/dbraw/zinc/33/64/85/201336485.db2.gz VCOZKDUVOSUDRW-BXKDBHETSA-N -1 3 233.311 2.483 20 0 BEADHM CCc1ccc(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000436824122 201339592 /nfs/dbraw/zinc/33/95/92/201339592.db2.gz YYROIKNDFJBSSK-YABSGUDNSA-N -1 3 245.322 2.483 20 0 BEADHM Cc1ccc(C(=O)N[C@H](C)c2ccon2)c([O-])c1 ZINC000436971709 201341306 /nfs/dbraw/zinc/34/13/06/201341306.db2.gz KOXRTFINUOWZQM-SECBINFHSA-N -1 3 246.266 2.180 20 0 BEADHM C[C@H](NC(=O)c1ccccc1[O-])c1cncs1 ZINC000436983932 201341950 /nfs/dbraw/zinc/34/19/50/201341950.db2.gz AQJIUSGJUALYJT-QMMMGPOBSA-N -1 3 248.307 2.340 20 0 BEADHM CCCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436949859 201342259 /nfs/dbraw/zinc/34/22/59/201342259.db2.gz SPXOTURPFBPIMP-UHFFFAOYSA-N -1 3 233.311 2.411 20 0 BEADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2C2CC2)c([O-])c1 ZINC000436904837 201342617 /nfs/dbraw/zinc/34/26/17/201342617.db2.gz GDOTYUJZELABTN-NWDGAFQWSA-N -1 3 231.295 2.229 20 0 BEADHM CC[C@H](NC(=O)c1ccc(C)cc1[O-])C(F)F ZINC000452249129 202556953 /nfs/dbraw/zinc/55/69/53/202556953.db2.gz PIDIYFSVHUGPGC-VIFPVBQESA-N -1 3 243.253 2.474 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)c([O-])c1 ZINC000630438950 364167902 /nfs/dbraw/zinc/16/79/02/364167902.db2.gz GVIYNSVCAXAZJV-GMTAPVOTSA-N -1 3 249.310 2.453 20 0 BEADHM COc1ccnc(C(=O)Nc2ccccc2[O-])c1 ZINC000116441285 370771935 /nfs/dbraw/zinc/77/19/35/370771935.db2.gz BDHLCDNNZSFXLM-UHFFFAOYSA-N -1 3 244.250 2.048 20 0 BEADHM CC(=O)c1cccc(NC(=O)C2CCC2)c1[O-] ZINC000579505094 366838601 /nfs/dbraw/zinc/83/86/01/366838601.db2.gz HCGWWYYEELISLI-UHFFFAOYSA-N -1 3 233.267 2.333 20 0 BEADHM C[C@@H]1C[C@@H](C(=O)Nc2ccccc2[O-])[C@H](C)O1 ZINC000630796213 364561423 /nfs/dbraw/zinc/56/14/23/364561423.db2.gz LJNVEVAJJAIXCS-KXUCPTDWSA-N -1 3 235.283 2.144 20 0 BEADHM CCc1cccc(C(=O)N[C@@H](C)CC(C)=O)c1[O-] ZINC000093098095 364690853 /nfs/dbraw/zinc/69/08/53/364690853.db2.gz FUDFQWGEGXLWSE-VIFPVBQESA-N -1 3 249.310 2.052 20 0 BEADHM CCCCN(C(=O)Cc1cncc([O-])c1)C1CC1 ZINC000573386093 364821335 /nfs/dbraw/zinc/82/13/35/364821335.db2.gz RYOYOMBTUWNAPC-UHFFFAOYSA-N -1 3 248.326 2.121 20 0 BEADHM C[C@@H]1CC(C)(C)CN1Cc1ccc(C(=O)[O-])cn1 ZINC000573855441 364932433 /nfs/dbraw/zinc/93/24/33/364932433.db2.gz HGEMVFMAFXDFDX-SNVBAGLBSA-N -1 3 248.326 2.400 20 0 BEADHM C[C@H](c1ccncc1)N(C)Cc1ncccc1[O-] ZINC000575217927 365249316 /nfs/dbraw/zinc/24/93/16/365249316.db2.gz IVMCHSYQKOWVSS-LLVKDONJSA-N -1 3 243.310 2.375 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])c1ccoc1 ZINC000174884943 365518702 /nfs/dbraw/zinc/51/87/02/365518702.db2.gz JKMZWQNNZUOMTM-UHFFFAOYSA-N -1 3 221.187 2.377 20 0 BEADHM CCCN(CCC)C(=O)c1cccc2[n-]nnc21 ZINC000182697031 366934001 /nfs/dbraw/zinc/93/40/01/366934001.db2.gz VMGMDOZOXJFMJT-UHFFFAOYSA-N -1 3 246.314 2.220 20 0 BEADHM CCCN(CCC)C(=O)c1cccc2nn[n-]c21 ZINC000182697031 366934004 /nfs/dbraw/zinc/93/40/04/366934004.db2.gz VMGMDOZOXJFMJT-UHFFFAOYSA-N -1 3 246.314 2.220 20 0 BEADHM CCCN(CCC)C(=O)c1cccc2n[n-]nc21 ZINC000182697031 366934008 /nfs/dbraw/zinc/93/40/08/366934008.db2.gz VMGMDOZOXJFMJT-UHFFFAOYSA-N -1 3 246.314 2.220 20 0 BEADHM C[C@H]1CC(NC(=O)c2cccc([O-])c2)C[C@H](C)O1 ZINC000182968848 366963594 /nfs/dbraw/zinc/96/35/94/366963594.db2.gz FBLNGNUCURJVBB-UWVGGRQHSA-N -1 3 249.310 2.078 20 0 BEADHM Cc1cc(CN2C[C@@H]3[C@H](C2)C3(C)C)oc1C(=O)[O-] ZINC000380376885 367195333 /nfs/dbraw/zinc/19/53/33/367195333.db2.gz JIZCXLXSJRFTPY-PHIMTYICSA-N -1 3 249.310 2.374 20 0 BEADHM CC[C@@H](NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000580893369 367199829 /nfs/dbraw/zinc/19/98/29/367199829.db2.gz WULMJJOTPCLUFH-SECBINFHSA-N -1 3 245.681 2.432 20 0 BEADHM O=C(Nc1ccccc1[O-])c1ccsn1 ZINC000622322578 370848370 /nfs/dbraw/zinc/84/83/70/370848370.db2.gz WKFUPFWUQNWXMT-UHFFFAOYSA-N -1 3 220.253 2.101 20 0 BEADHM C[C@@H]1CCN(c2ccncc2C(=O)[O-])[C@@H]1C ZINC000380562849 367244698 /nfs/dbraw/zinc/24/46/98/367244698.db2.gz VZRTXAGFMKYZDV-RKDXNWHRSA-N -1 3 220.272 2.015 20 0 BEADHM CC1(C)CC[C@H](NC(=O)Cc2cncc([O-])c2)C1 ZINC000581558421 367590261 /nfs/dbraw/zinc/59/02/61/367590261.db2.gz PQBPBUVJDGJPRK-NSHDSACASA-N -1 3 248.326 2.025 20 0 BEADHM CC(C)c1cnc(CNCCCC(=O)[O-])s1 ZINC000581943790 367970922 /nfs/dbraw/zinc/97/09/22/367970922.db2.gz YMPMZUCXDBPJPL-UHFFFAOYSA-N -1 3 242.344 2.221 20 0 BEADHM O=C(N[C@H]1CC12CCCC2)c1c([O-])cccc1O ZINC000387392362 368165132 /nfs/dbraw/zinc/16/51/32/368165132.db2.gz ZVJOIGPMKCZVCV-NSHDSACASA-N -1 3 247.294 2.160 20 0 BEADHM CCC1(NC(=O)Cc2cncc([O-])c2)CCCC1 ZINC000615684944 368202552 /nfs/dbraw/zinc/20/25/52/368202552.db2.gz LIXKVKXTNVEBHR-UHFFFAOYSA-N -1 3 248.326 2.169 20 0 BEADHM CCO[C@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000066484236 368651391 /nfs/dbraw/zinc/65/13/91/368651391.db2.gz BOOACDZZHGCLPM-SECBINFHSA-N -1 3 223.272 2.064 20 0 BEADHM CCO[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000066485370 368651416 /nfs/dbraw/zinc/65/14/16/368651416.db2.gz DNTDJOMSDDKWFU-ZETCQYMHSA-N -1 3 243.690 2.409 20 0 BEADHM CCOC(=O)c1cc(-c2ncc(C)s2)n[n-]1 ZINC000259739357 370936675 /nfs/dbraw/zinc/93/66/75/370936675.db2.gz PXHPNNSWBYTUMD-UHFFFAOYSA-N -1 3 237.284 2.018 20 0 BEADHM Cc1cc(OCc2ccno2)cc2occ([O-])c21 ZINC000642609622 368933005 /nfs/dbraw/zinc/93/30/05/368933005.db2.gz WSZDBBZUZOXKRO-UHFFFAOYSA-N -1 3 245.234 2.137 20 0 BEADHM C[C@H]1CCC(C)(C)N1C(=O)c1csc(=O)[n-]1 ZINC000616164670 368999065 /nfs/dbraw/zinc/99/90/65/368999065.db2.gz FQHKLIJTTCGBAJ-ZETCQYMHSA-N -1 3 240.328 2.252 20 0 BEADHM COCCCN(C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000091782368 369020491 /nfs/dbraw/zinc/02/04/91/369020491.db2.gz BTJBEPNMNVHOFN-SECBINFHSA-N -1 3 241.287 2.007 20 0 BEADHM C[C@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000459309887 203253190 /nfs/dbraw/zinc/25/31/90/203253190.db2.gz QECPAPJOEIIDKN-JTQLQIEISA-N -1 3 247.342 2.292 20 0 BEADHM C[C@@H]1CCN(C(=O)c2cccc([O-])c2)C[C@H](C)O1 ZINC000619124274 369291066 /nfs/dbraw/zinc/29/10/66/369291066.db2.gz NABQMBXPWBQCGO-MNOVXSKESA-N -1 3 249.310 2.032 20 0 BEADHM O=c1cc(CN2CCC23CCC3)nc(C2CC2)[n-]1 ZINC000459346882 203264409 /nfs/dbraw/zinc/26/44/09/203264409.db2.gz QRHJUQVUXVRWKK-UHFFFAOYSA-N -1 3 245.326 2.188 20 0 BEADHM CCN(CC(C)C)C(=O)c1cc(F)c[n-]c1=O ZINC000621531034 370379886 /nfs/dbraw/zinc/37/98/86/370379886.db2.gz NEVBSCRDTSPKDW-UHFFFAOYSA-N -1 3 240.278 2.044 20 0 BEADHM CCc1[nH]ncc1C(=O)Nc1cccc(F)c1[O-] ZINC001642769156 1172398324 /nfs/dbraw/zinc/39/83/24/1172398324.db2.gz MFZOBCOGVFAZSI-UHFFFAOYSA-N -1 3 249.245 2.069 20 0 BEADHM CC[C@@H](C)CN(C)C(=O)c1cc(F)c[n-]c1=O ZINC000621864352 370570789 /nfs/dbraw/zinc/57/07/89/370570789.db2.gz ZPGRQNPKXMVTRR-MRVPVSSYSA-N -1 3 240.278 2.044 20 0 BEADHM CCN(C(=O)c1c(C)cccc1[O-])C1CC1 ZINC000623776739 371087636 /nfs/dbraw/zinc/08/76/36/371087636.db2.gz XHWYPUCGMSQPDL-UHFFFAOYSA-N -1 3 219.284 2.325 20 0 BEADHM CCc1nc(C)c(C(=O)[N-]c2cnoc2)s1 ZINC000623938856 371168055 /nfs/dbraw/zinc/16/80/55/371168055.db2.gz MLXSCESUKQYCGN-UHFFFAOYSA-N -1 3 237.284 2.254 20 0 BEADHM CCO[C@H](C(=O)Nc1ccccc1[O-])C1CC1 ZINC000624488669 371521077 /nfs/dbraw/zinc/52/10/77/371521077.db2.gz ABYQHPUFJDUPJS-LBPRGKRZSA-N -1 3 235.283 2.146 20 0 BEADHM Cc1cccc([O-])c1C(=O)NCC(C)(C)C ZINC000624564144 371542406 /nfs/dbraw/zinc/54/24/06/371542406.db2.gz QNJRUYPAMZJGAY-UHFFFAOYSA-N -1 3 221.300 2.477 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)[C@H]1C ZINC000627537839 371691971 /nfs/dbraw/zinc/69/19/71/371691971.db2.gz SWGHZVGMECBYRS-VHSXEESVSA-N -1 3 219.284 2.181 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CC[C@H]1C1CC1 ZINC000627589305 371765362 /nfs/dbraw/zinc/76/53/62/371765362.db2.gz KEAZVGPUHRZWTG-NSHDSACASA-N -1 3 231.295 2.325 20 0 BEADHM CCC1CN(C(=O)c2c(C)cccc2[O-])C1 ZINC000627710010 371869755 /nfs/dbraw/zinc/86/97/55/371869755.db2.gz ZGRZOVVURWGHQF-UHFFFAOYSA-N -1 3 219.284 2.183 20 0 BEADHM Cc1ccncc1CNC(=O)c1cccc([O-])c1 ZINC000163018956 371911202 /nfs/dbraw/zinc/91/12/02/371911202.db2.gz ZWLYAXDKHGHSAS-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM O=C([N-]Cc1ccc(Cl)cc1)C(F)F ZINC000217589434 371983189 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XXNONDUBVOXJGD-UHFFFAOYSA-N -1 3 244.254 2.190 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCCC3(CC3)C2)n1 ZINC000186987276 384903511 /nfs/dbraw/zinc/90/35/11/384903511.db2.gz WDAUKXRSYXPEIJ-UHFFFAOYSA-N -1 3 247.342 2.121 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCCC[C@H](C)C2)n1 ZINC000187937942 384998582 /nfs/dbraw/zinc/99/85/82/384998582.db2.gz AYFCRSWRIIBTMV-NSHDSACASA-N -1 3 249.358 2.367 20 0 BEADHM CCC1(CNC(=O)c2ccc(O)cc2[O-])CC1 ZINC000176088234 385006420 /nfs/dbraw/zinc/00/64/20/385006420.db2.gz BXNZSPOQKZCQQJ-UHFFFAOYSA-N -1 3 235.283 2.018 20 0 BEADHM CO[N-]C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000151058759 385083632 /nfs/dbraw/zinc/08/36/32/385083632.db2.gz CYBRRNPMMRBPSP-RNFRBKRXSA-N -1 3 243.665 2.260 20 0 BEADHM CC[C@H](NCc1cc(F)c(F)cc1F)C(=O)[O-] ZINC000647466626 385056484 /nfs/dbraw/zinc/05/64/84/385056484.db2.gz QODNPXUOMKCTAW-JTQLQIEISA-N -1 3 247.216 2.057 20 0 BEADHM O=C([O-])[C@H]1CCCN1Cc1cc(F)cc(F)c1 ZINC000130599522 385043843 /nfs/dbraw/zinc/04/38/43/385043843.db2.gz ASEYHRIXVZLEKC-LLVKDONJSA-N -1 3 241.237 2.014 20 0 BEADHM CN(CC1CCC1)C(=O)/C=C\c1cncc([O-])c1 ZINC000255889403 385116324 /nfs/dbraw/zinc/11/63/24/385116324.db2.gz KQHOLMDRORJCMB-WAYWQWQTSA-N -1 3 246.310 2.059 20 0 BEADHM Cc1cccc([O-])c1C(=O)NCCC(C)(F)F ZINC000627560570 385119441 /nfs/dbraw/zinc/11/94/41/385119441.db2.gz FSNUVKMGECQYLP-UHFFFAOYSA-N -1 3 243.253 2.476 20 0 BEADHM O=[S@](CC[C@H]1CCCO1)c1ccc([O-])cc1 ZINC000189100259 385124356 /nfs/dbraw/zinc/12/43/56/385124356.db2.gz HLLFWTIDYXBUJT-BDJLRTHQSA-N -1 3 240.324 2.069 20 0 BEADHM Cc1noc(C)c1C[N-]c1nnc(C(F)F)o1 ZINC000189279735 385142089 /nfs/dbraw/zinc/14/20/89/385142089.db2.gz UIVQWHZCTYUUMS-UHFFFAOYSA-N -1 3 244.201 2.224 20 0 BEADHM O=[S@](CC[C@@H]1CCCO1)c1ccc([O-])cc1 ZINC000189100225 385124591 /nfs/dbraw/zinc/12/45/91/385124591.db2.gz HLLFWTIDYXBUJT-MEDUHNTESA-N -1 3 240.324 2.069 20 0 BEADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccncc1[O-] ZINC000530883352 385132112 /nfs/dbraw/zinc/13/21/12/385132112.db2.gz ZRMQFCNXZZXNIV-QWRGUYRKSA-N -1 3 248.326 2.364 20 0 BEADHM CC(C)C1(CNC(=O)c2ccc(O)cc2[O-])CC1 ZINC000177392997 385233329 /nfs/dbraw/zinc/23/33/29/385233329.db2.gz GZBNQQXMSOOYRS-UHFFFAOYSA-N -1 3 249.310 2.264 20 0 BEADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@H](C)C1 ZINC000051361462 385243816 /nfs/dbraw/zinc/24/38/16/385243816.db2.gz HXMRDULFWQXCRR-QMMMGPOBSA-N -1 3 223.272 2.128 20 0 BEADHM CCON=C([O-])N1CCc2ccc(Cl)cc21 ZINC000166532324 385250689 /nfs/dbraw/zinc/25/06/89/385250689.db2.gz VZFIHHKJWCTTMP-UHFFFAOYSA-N -1 3 240.690 2.364 20 0 BEADHM CCO[N-]C(=O)N1CCc2ccc(Cl)cc21 ZINC000166532324 385250693 /nfs/dbraw/zinc/25/06/93/385250693.db2.gz VZFIHHKJWCTTMP-UHFFFAOYSA-N -1 3 240.690 2.364 20 0 BEADHM O=C([O-])C1(NCc2sccc2Cl)CCC1 ZINC000308903206 385277137 /nfs/dbraw/zinc/27/71/37/385277137.db2.gz UUHOSXSIAYOERW-UHFFFAOYSA-N -1 3 245.731 2.498 20 0 BEADHM C[C@@H]([N-]C(=O)C1(C(F)(F)F)CC1)C(F)(F)F ZINC000644790794 385300415 /nfs/dbraw/zinc/30/04/15/385300415.db2.gz XPCMBHBNHYLTEQ-SCSAIBSYSA-N -1 3 249.154 2.396 20 0 BEADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCCO1 ZINC000273227271 385347861 /nfs/dbraw/zinc/34/78/61/385347861.db2.gz QRRJWPDRLMDZQB-UHFFFAOYSA-N -1 3 247.294 2.049 20 0 BEADHM CC(C)(NC(=O)/C=C/c1cncc([O-])c1)C1CC1 ZINC000492392746 385373236 /nfs/dbraw/zinc/37/32/36/385373236.db2.gz CSHPYXZVFFGXCW-ZZXKWVIFSA-N -1 3 246.310 2.105 20 0 BEADHM CCO[N-]C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000178569555 385392317 /nfs/dbraw/zinc/39/23/17/385392317.db2.gz USHAECKAZSCVOM-IUCAKERBSA-N -1 3 225.313 2.228 20 0 BEADHM CCO[N-]C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000178569576 385392644 /nfs/dbraw/zinc/39/26/44/385392644.db2.gz USHAECKAZSCVOM-BDAKNGLRSA-N -1 3 225.313 2.228 20 0 BEADHM CCC[C@H]1C[C@H]1C(=O)Nc1nc(C)ccc1[O-] ZINC000360783971 385399666 /nfs/dbraw/zinc/39/96/66/385399666.db2.gz UCSAVALJYZALBK-VHSXEESVSA-N -1 3 234.299 2.470 20 0 BEADHM CCON=C([O-])Nc1nc(C2CC2)cs1 ZINC000170685438 385439383 /nfs/dbraw/zinc/43/93/83/385439383.db2.gz BPNPEVMVGULLPE-UHFFFAOYSA-N -1 3 227.289 2.094 20 0 BEADHM CCO[N-]C(=O)Nc1nc(C2CC2)cs1 ZINC000170685438 385439386 /nfs/dbraw/zinc/43/93/86/385439386.db2.gz BPNPEVMVGULLPE-UHFFFAOYSA-N -1 3 227.289 2.094 20 0 BEADHM CCON=C([O-])Nc1nc2c(s1)CCCC2 ZINC000170685288 385439539 /nfs/dbraw/zinc/43/95/39/385439539.db2.gz WSBVDGANXFHMEK-UHFFFAOYSA-N -1 3 241.316 2.095 20 0 BEADHM CCO[N-]C(=O)Nc1nc2c(s1)CCCC2 ZINC000170685288 385439545 /nfs/dbraw/zinc/43/95/45/385439545.db2.gz WSBVDGANXFHMEK-UHFFFAOYSA-N -1 3 241.316 2.095 20 0 BEADHM CC[C@H](C)[C@H](C)NC(=O)/C=C/c1cncc([O-])c1 ZINC000181925038 385449935 /nfs/dbraw/zinc/44/99/35/385449935.db2.gz DSCOJGXMZHLCLU-PZIAFJOJSA-N -1 3 248.326 2.351 20 0 BEADHM CC(C)[C@H](O)C(=O)Nc1ccc([O-])cc1Cl ZINC000616940275 385512746 /nfs/dbraw/zinc/51/27/46/385512746.db2.gz WBTGCDNZBVBNBK-JTQLQIEISA-N -1 3 243.690 2.001 20 0 BEADHM CSC[C@@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000183260810 385515626 /nfs/dbraw/zinc/51/56/26/385515626.db2.gz UVWHJVOQHSXCJA-SSDOTTSWSA-N -1 3 243.303 2.469 20 0 BEADHM Cc1c([C@H](C)[N-]c2nc(C(C)C)no2)cnn1C ZINC000180396688 385521772 /nfs/dbraw/zinc/52/17/72/385521772.db2.gz UDTNSLTVLGIXLE-QMMMGPOBSA-N -1 3 249.318 2.408 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(CC)cc1 ZINC000158115629 385549917 /nfs/dbraw/zinc/54/99/17/385549917.db2.gz CQUBXZCQFRWVLJ-UHFFFAOYSA-N -1 3 208.261 2.322 20 0 BEADHM CC(C)[C@@H](CO)NCc1cccc([O-])c1Cl ZINC000293511840 385625688 /nfs/dbraw/zinc/62/56/88/385625688.db2.gz IBHIQTQGPDRINB-SNVBAGLBSA-N -1 3 243.734 2.152 20 0 BEADHM CSc1nnc(NC(=O)CCCC2CC2)[n-]1 ZINC000643183628 385608465 /nfs/dbraw/zinc/60/84/65/385608465.db2.gz OOEPISOAMVLLPN-UHFFFAOYSA-N -1 3 240.332 2.045 20 0 BEADHM CSc1n[n-]c(NC(=O)CCCC2CC2)n1 ZINC000643183628 385608468 /nfs/dbraw/zinc/60/84/68/385608468.db2.gz OOEPISOAMVLLPN-UHFFFAOYSA-N -1 3 240.332 2.045 20 0 BEADHM CSc1nc(NC(=O)CCCC2CC2)n[n-]1 ZINC000643183628 385608470 /nfs/dbraw/zinc/60/84/70/385608470.db2.gz OOEPISOAMVLLPN-UHFFFAOYSA-N -1 3 240.332 2.045 20 0 BEADHM CCc1ccc([O-])c(C(=O)NC2CCC2)c1 ZINC000337415791 385645518 /nfs/dbraw/zinc/64/55/18/385645518.db2.gz TVUXSRRZANDBKW-UHFFFAOYSA-N -1 3 219.284 2.237 20 0 BEADHM O=C(Nc1ccccc1[O-])c1ccc(F)cn1 ZINC000182311884 385657190 /nfs/dbraw/zinc/65/71/90/385657190.db2.gz SWTJIWUDNSTNDD-UHFFFAOYSA-N -1 3 232.214 2.179 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(OC(F)F)cc1 ZINC000182887135 385715821 /nfs/dbraw/zinc/71/58/21/385715821.db2.gz RAJNYRAXBLHQQI-UHFFFAOYSA-N -1 3 246.213 2.361 20 0 BEADHM CCO[N-]C(=O)Nc1cc(C)ccc1OC ZINC000182877476 385715894 /nfs/dbraw/zinc/71/58/94/385715894.db2.gz LDVVOWKYEKHDGT-UHFFFAOYSA-N -1 3 224.260 2.077 20 0 BEADHM CCO[C@@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000183058713 385732032 /nfs/dbraw/zinc/73/20/32/385732032.db2.gz OSPFYEVLKPZJOO-VIFPVBQESA-N -1 3 223.272 2.064 20 0 BEADHM CC(C)(F)C(=O)Nc1cc(F)ccc1[O-] ZINC000271081777 385786082 /nfs/dbraw/zinc/78/60/82/385786082.db2.gz JCEZQHHGDREPTQ-UHFFFAOYSA-N -1 3 215.199 2.218 20 0 BEADHM COC(C)(C)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000230939123 385770010 /nfs/dbraw/zinc/77/00/10/385770010.db2.gz JPWBKGGMRFFPFK-UHFFFAOYSA-N -1 3 248.282 2.410 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2O[C@H](C)C[C@H]2C)c([O-])c1 ZINC000282644553 385775501 /nfs/dbraw/zinc/77/55/01/385775501.db2.gz KRDHWPASVUFOGZ-GIPNMCIBSA-N -1 3 249.310 2.453 20 0 BEADHM O=C(CCC1CC1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647802548 385835619 /nfs/dbraw/zinc/83/56/19/385835619.db2.gz OSRVEFHRRAQSIQ-UHFFFAOYSA-N -1 3 245.282 2.397 20 0 BEADHM CSCC(C)(C)C(=O)Nc1ncccc1[O-] ZINC000282846489 385790064 /nfs/dbraw/zinc/79/00/64/385790064.db2.gz WAJVWMZKWCNVAG-UHFFFAOYSA-N -1 3 240.328 2.115 20 0 BEADHM COCc1ccc(C[N-]c2nc(C3CC3)no2)o1 ZINC000272309622 385892493 /nfs/dbraw/zinc/89/24/93/385892493.db2.gz YBKWZAYZXAMOKE-UHFFFAOYSA-N -1 3 249.270 2.299 20 0 BEADHM CCC[C@H](N)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000272344315 385896527 /nfs/dbraw/zinc/89/65/27/385896527.db2.gz NJJDECOYBSPWLV-QMMMGPOBSA-N -1 3 242.706 2.112 20 0 BEADHM CCN(C(=O)c1ccc([O-])c(OC)c1)C1CC1 ZINC000272580901 385916058 /nfs/dbraw/zinc/91/60/58/385916058.db2.gz FNESQQUECLTFSZ-UHFFFAOYSA-N -1 3 235.283 2.025 20 0 BEADHM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1cccs1 ZINC000112707922 385864771 /nfs/dbraw/zinc/86/47/71/385864771.db2.gz HAZANQIPXOENHV-QMMMGPOBSA-N -1 3 245.369 2.215 20 0 BEADHM CC[C@@H](C)CCC(=O)Nc1nnc(SC)[n-]1 ZINC000285955133 385980507 /nfs/dbraw/zinc/98/05/07/385980507.db2.gz KIMKKBWMCYGPKD-SSDOTTSWSA-N -1 3 242.348 2.291 20 0 BEADHM CC[C@@H](C)CCC(=O)Nc1nc(SC)n[n-]1 ZINC000285955133 385980514 /nfs/dbraw/zinc/98/05/14/385980514.db2.gz KIMKKBWMCYGPKD-SSDOTTSWSA-N -1 3 242.348 2.291 20 0 BEADHM CC[C@@H](C)CCC(=O)Nc1n[n-]c(SC)n1 ZINC000285955133 385980517 /nfs/dbraw/zinc/98/05/17/385980517.db2.gz KIMKKBWMCYGPKD-SSDOTTSWSA-N -1 3 242.348 2.291 20 0 BEADHM CC[C@H](CO)N(C)Cc1cccc([O-])c1Cl ZINC000295172102 385985050 /nfs/dbraw/zinc/98/50/50/385985050.db2.gz UKXZOIMBWCIAAT-SNVBAGLBSA-N -1 3 243.734 2.248 20 0 BEADHM CC[C@@H](CO)N(C)Cc1cccc([O-])c1Cl ZINC000295172100 385985328 /nfs/dbraw/zinc/98/53/28/385985328.db2.gz UKXZOIMBWCIAAT-JTQLQIEISA-N -1 3 243.734 2.248 20 0 BEADHM Cc1ccc([O-])c(CN2CCC=C(F)C2)n1 ZINC000272853288 385943107 /nfs/dbraw/zinc/94/31/07/385943107.db2.gz SYAHUYQIJKQWLL-UHFFFAOYSA-N -1 3 222.263 2.155 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)C2CC2)n1 ZINC000273471748 386005000 /nfs/dbraw/zinc/00/50/00/386005000.db2.gz JQZQHXFVXBMLDC-QMMMGPOBSA-N -1 3 220.272 2.080 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C(C2CC2)C2CC2)n1 ZINC000273578888 386012997 /nfs/dbraw/zinc/01/29/97/386012997.db2.gz YXWCRHSXZCEKPA-UHFFFAOYSA-N -1 3 246.310 2.470 20 0 BEADHM CN(Cc1cccc([O-])c1Cl)CC(C)(C)O ZINC000295376624 386020547 /nfs/dbraw/zinc/02/05/47/386020547.db2.gz ORZYZTQRZXAVJI-UHFFFAOYSA-N -1 3 243.734 2.248 20 0 BEADHM CON(CC(C)(C)C)C(=O)c1ccccc1[O-] ZINC000286570578 386053868 /nfs/dbraw/zinc/05/38/68/386053868.db2.gz RNDXHUNDOALDBG-UHFFFAOYSA-N -1 3 237.299 2.442 20 0 BEADHM CN(Cc1c(F)ccc([O-])c1F)C1CC1 ZINC000295237844 385996024 /nfs/dbraw/zinc/99/60/24/385996024.db2.gz DNDRLJILKPGCCL-UHFFFAOYSA-N -1 3 213.227 2.265 20 0 BEADHM C[C@@H](O)CCN(C)Cc1cccc([O-])c1Cl ZINC000295228391 385996659 /nfs/dbraw/zinc/99/66/59/385996659.db2.gz COQQAYVGFMPBBX-SECBINFHSA-N -1 3 243.734 2.248 20 0 BEADHM CC(C)c1ccc(C(=O)N2CCCO2)c([O-])c1 ZINC000274523315 386113075 /nfs/dbraw/zinc/11/30/75/386113075.db2.gz BPKAFXBUTPNVBY-UHFFFAOYSA-N -1 3 235.283 2.293 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2CC(C)=C[C@@H](C)C2)n1 ZINC000430273053 386063329 /nfs/dbraw/zinc/06/33/29/386063329.db2.gz CDFHJTKZLRIMFL-SKDRFNHKSA-N -1 3 247.342 2.450 20 0 BEADHM CC/C(C)=C/C(=O)Nc1nc(C)ccc1[O-] ZINC000295812358 386090358 /nfs/dbraw/zinc/09/03/58/386090358.db2.gz BHHPWZVIMDMTRC-BQYQJAHWSA-N -1 3 220.272 2.390 20 0 BEADHM C[C@@H](CC(=O)[O-])NCc1ccc(F)cc1Cl ZINC000336722474 386162819 /nfs/dbraw/zinc/16/28/19/386162819.db2.gz ASWQEMXNSUKZQY-ZETCQYMHSA-N -1 3 245.681 2.432 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C)o1 ZINC000334466965 386128935 /nfs/dbraw/zinc/12/89/35/386128935.db2.gz VZNNKZIBYLGVKR-WPRPVWTQSA-N -1 3 243.328 2.055 20 0 BEADHM CC(C)Cc1nsc([N-]c2cn[nH]c2)n1 ZINC000274625706 386131780 /nfs/dbraw/zinc/13/17/80/386131780.db2.gz WEELDCQPPFRKBR-UHFFFAOYSA-N -1 3 223.305 2.203 20 0 BEADHM CC(F)(F)C(=O)[N-]Cc1nc(C2CC2)cs1 ZINC000289086772 386259543 /nfs/dbraw/zinc/25/95/43/386259543.db2.gz CLLVXXNGUMUABZ-UHFFFAOYSA-N -1 3 246.282 2.292 20 0 BEADHM Cc1ccnc(C)c1NC([O-])=NOC(C)C ZINC000297002950 386217934 /nfs/dbraw/zinc/21/79/34/386217934.db2.gz KIUCUAQHVFFKPO-UHFFFAOYSA-N -1 3 223.276 2.160 20 0 BEADHM Cc1ccnc(C)c1NC(=O)[N-]OC(C)C ZINC000297002950 386217937 /nfs/dbraw/zinc/21/79/37/386217937.db2.gz KIUCUAQHVFFKPO-UHFFFAOYSA-N -1 3 223.276 2.160 20 0 BEADHM Cc1ccc(NC(=O)[C@H]2CO[C@H](C)C2)c([O-])c1 ZINC000132768098 386253386 /nfs/dbraw/zinc/25/33/86/386253386.db2.gz HGMKGFZWUYLIFF-NXEZZACHSA-N -1 3 235.283 2.064 20 0 BEADHM O=C(/C=C/c1ccc[nH]1)[N-]OC1CCCC1 ZINC000276215517 386287528 /nfs/dbraw/zinc/28/75/28/386287528.db2.gz LQNJMBODCLQJCV-BQYQJAHWSA-N -1 3 220.272 2.018 20 0 BEADHM CCc1ccc(C(=O)NOCC(C)C)c([O-])c1 ZINC000276322724 386302240 /nfs/dbraw/zinc/30/22/40/386302240.db2.gz FMXUAQOAKFZDLX-UHFFFAOYSA-N -1 3 237.299 2.272 20 0 BEADHM O=[S@@](CC[C@H]1CCCO1)c1cccc([O-])c1 ZINC000276400396 386317089 /nfs/dbraw/zinc/31/70/89/386317089.db2.gz UIUNSQDFNZNKHR-BZNIZROVSA-N -1 3 240.324 2.069 20 0 BEADHM C[C@@H]1Cc2ccccc2N1C([O-])=NOCC1CC1 ZINC000297545404 386264539 /nfs/dbraw/zinc/26/45/39/386264539.db2.gz ZEBQDVZAMOVGHU-SNVBAGLBSA-N -1 3 246.310 2.489 20 0 BEADHM C[C@@H]1Cc2ccccc2N1C(=O)[N-]OCC1CC1 ZINC000297545404 386264544 /nfs/dbraw/zinc/26/45/44/386264544.db2.gz ZEBQDVZAMOVGHU-SNVBAGLBSA-N -1 3 246.310 2.489 20 0 BEADHM CON(C)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000276621459 386354875 /nfs/dbraw/zinc/35/48/75/386354875.db2.gz OCJAANBREBATLD-UHFFFAOYSA-N -1 3 249.188 2.044 20 0 BEADHM CCCOCC(=O)N1CCCc2cccc([O-])c21 ZINC000226559456 386335023 /nfs/dbraw/zinc/33/50/23/386335023.db2.gz MBLMVLAKGWNBSX-UHFFFAOYSA-N -1 3 249.310 2.098 20 0 BEADHM Cc1ccc(NC(=O)C(=O)C(C)(C)C)c([O-])c1 ZINC000265408439 386336632 /nfs/dbraw/zinc/33/66/32/386336632.db2.gz LNYFIEOUWAORMD-UHFFFAOYSA-N -1 3 235.283 2.254 20 0 BEADHM CO[C@H](C)CCC(=O)[N-]OCc1ccccc1 ZINC000182986807 386442184 /nfs/dbraw/zinc/44/21/84/386442184.db2.gz AEKFDKZYHFDFCZ-LLVKDONJSA-N -1 3 237.299 2.050 20 0 BEADHM C[C@@H]1CC[C@@H](c2nc(-c3cc(=O)[n-]cn3)no2)C1 ZINC000351373416 386412789 /nfs/dbraw/zinc/41/27/89/386412789.db2.gz QGHBWFLIOOPVEK-HTQZYQBOSA-N -1 3 246.270 2.136 20 0 BEADHM CC(C)=CCNC(=O)c1cccc(C)c1[O-] ZINC000191851063 386479131 /nfs/dbraw/zinc/47/91/31/386479131.db2.gz QAZOGEBDASBGEL-UHFFFAOYSA-N -1 3 219.284 2.397 20 0 BEADHM CC(C)=CCNC(=O)c1cc(C)ccc1[O-] ZINC000191785677 386460155 /nfs/dbraw/zinc/46/01/55/386460155.db2.gz PKSPYYVQGWMUPM-UHFFFAOYSA-N -1 3 219.284 2.397 20 0 BEADHM CCc1ccc(C(=O)N[C@H](C)CC)c([O-])c1 ZINC000188385394 386465724 /nfs/dbraw/zinc/46/57/24/386465724.db2.gz ZPKDNEDZMWHVMS-SECBINFHSA-N -1 3 221.300 2.483 20 0 BEADHM O=C(CCc1ccsc1)[N-]OC/C=C/Cl ZINC000291746448 386577422 /nfs/dbraw/zinc/57/74/22/386577422.db2.gz GRGJZTKOVFMJNE-ORCRQEGFSA-N -1 3 245.731 2.481 20 0 BEADHM O=C(CCc1ccco1)[N-]OC/C=C/Cl ZINC000291763581 386579564 /nfs/dbraw/zinc/57/95/64/386579564.db2.gz ICOVCCRSRGPHRV-QHHAFSJGSA-N -1 3 229.663 2.013 20 0 BEADHM CCC1([N-]S(=O)(=O)c2cccs2)CCC1 ZINC000267768679 386584403 /nfs/dbraw/zinc/58/44/03/386584403.db2.gz OLFLVKRNSFUCGB-UHFFFAOYSA-N -1 3 245.369 2.359 20 0 BEADHM CC(C)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000408410296 386546115 /nfs/dbraw/zinc/54/61/15/386546115.db2.gz NKDOMEZPFWNPGB-UHFFFAOYSA-N -1 3 249.310 2.244 20 0 BEADHM CCc1cc(C(=O)NC2CCC2)ccc1[O-] ZINC000291452451 386549474 /nfs/dbraw/zinc/54/94/74/386549474.db2.gz HGIVBSLRAZBMQC-UHFFFAOYSA-N -1 3 219.284 2.237 20 0 BEADHM CCCc1occc1C(=O)N=c1[n-]occ1C ZINC000336965913 386562714 /nfs/dbraw/zinc/56/27/14/386562714.db2.gz JVMYGOFYWYSWPA-UHFFFAOYSA-N -1 3 234.255 2.203 20 0 BEADHM [O-]c1cc(F)cc(CN2CC[C@@H](F)C2)c1 ZINC000335405545 386563983 /nfs/dbraw/zinc/56/39/83/386563983.db2.gz CTZBBXCDTFNTDH-SECBINFHSA-N -1 3 213.227 2.075 20 0 BEADHM CC[C@H]1CC[C@H](C(=O)Nc2ccccc2[O-])O1 ZINC000268228891 386631617 /nfs/dbraw/zinc/63/16/17/386631617.db2.gz KRPDZBVPLKLJQZ-JOYOIKCWSA-N -1 3 235.283 2.288 20 0 BEADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccccc1 ZINC000179380540 386638011 /nfs/dbraw/zinc/63/80/11/386638011.db2.gz WZKZFXAVZIMNFB-VOTSOKGWSA-N -1 3 240.262 2.439 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2CCC(=O)C2)c([O-])c1 ZINC000335508515 386640277 /nfs/dbraw/zinc/64/02/77/386640277.db2.gz VFYABFGAERRHDW-SECBINFHSA-N -1 3 233.267 2.008 20 0 BEADHM CC[C@@H](C)CON=C([O-])Nc1cccc(C)n1 ZINC000291942170 386601734 /nfs/dbraw/zinc/60/17/34/386601734.db2.gz UMWAFYAEYWLILF-SECBINFHSA-N -1 3 237.303 2.489 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc(C)n1 ZINC000291942170 386601742 /nfs/dbraw/zinc/60/17/42/386601742.db2.gz UMWAFYAEYWLILF-SECBINFHSA-N -1 3 237.303 2.489 20 0 BEADHM CC[C@@H](C(=O)[O-])N1CCc2cc(F)ccc2C1 ZINC000263582400 386605063 /nfs/dbraw/zinc/60/50/63/386605063.db2.gz YPCKGKZNJILFTF-LBPRGKRZSA-N -1 3 237.274 2.047 20 0 BEADHM CC1=C[C@@H](C)CN(Cc2ncccc2[O-])C1 ZINC000520460058 386682364 /nfs/dbraw/zinc/68/23/64/386682364.db2.gz VLAKWYYUYZWJFI-SNVBAGLBSA-N -1 3 218.300 2.185 20 0 BEADHM C[C@]1(C(=O)Nc2cccc([O-])c2F)C[C@H]1F ZINC000335539350 386745767 /nfs/dbraw/zinc/74/57/67/386745767.db2.gz VXHCUODVRFSONW-KCJUWKMLSA-N -1 3 227.210 2.218 20 0 BEADHM C[C@@]1(C(=O)Nc2cccc([O-])c2F)C[C@H]1F ZINC000335539352 386745818 /nfs/dbraw/zinc/74/58/18/386745818.db2.gz VXHCUODVRFSONW-LDYMZIIASA-N -1 3 227.210 2.218 20 0 BEADHM CC1(CC(=O)Nc2ccncc2[O-])CCCC1 ZINC000348532099 386752623 /nfs/dbraw/zinc/75/26/23/386752623.db2.gz OMEHMLIYNGXKHW-UHFFFAOYSA-N -1 3 234.299 2.118 20 0 BEADHM Cc1ccc(C(=O)NC2CC(C)(F)C2)c([O-])c1 ZINC000452286238 386741325 /nfs/dbraw/zinc/74/13/25/386741325.db2.gz WRXDJTLNXNRHTN-UHFFFAOYSA-N -1 3 237.274 2.321 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H]2F)c1 ZINC000340780719 386771191 /nfs/dbraw/zinc/77/11/91/386771191.db2.gz QBWXIXOXZCJRRX-QWRGUYRKSA-N -1 3 237.274 2.321 20 0 BEADHM Cc1cc(C(=O)NCCCCF)ccc1[O-] ZINC000336666858 386777546 /nfs/dbraw/zinc/77/75/46/386777546.db2.gz QHBLRRTYWVLJFQ-UHFFFAOYSA-N -1 3 225.263 2.180 20 0 BEADHM C[C@H](CC1CCCC1)C(=O)Nc1ccncc1[O-] ZINC000330543897 386783508 /nfs/dbraw/zinc/78/35/08/386783508.db2.gz JGZGJGHTKZUFGR-SNVBAGLBSA-N -1 3 248.326 2.364 20 0 BEADHM Cc1cccc(C(=O)N2CCC23CCC3)c1[O-] ZINC000334759631 386816875 /nfs/dbraw/zinc/81/68/75/386816875.db2.gz RRZVALZHMORFEP-UHFFFAOYSA-N -1 3 231.295 2.469 20 0 BEADHM O=C(NC(C1CC1)C1CC1)c1ccc(O)cc1[O-] ZINC000192956995 386801969 /nfs/dbraw/zinc/80/19/69/386801969.db2.gz FRBFWGMXOWMDDJ-UHFFFAOYSA-N -1 3 247.294 2.016 20 0 BEADHM Cc1csc(C(C)(C)[N-]C(=O)C(C)(F)F)n1 ZINC000293633102 386852142 /nfs/dbraw/zinc/85/21/42/386852142.db2.gz GPXBFSQDLGVLFU-UHFFFAOYSA-N -1 3 248.298 2.458 20 0 BEADHM CC[C@@H](C)CONC(=O)c1cc(C)ccc1[O-] ZINC000293636684 386852312 /nfs/dbraw/zinc/85/23/12/386852312.db2.gz FWDUTOCGDNPRND-SECBINFHSA-N -1 3 237.299 2.408 20 0 BEADHM O=C(CCC(=O)c1ccccc1)[N-]OCC1CC1 ZINC000293725622 386869382 /nfs/dbraw/zinc/86/93/82/386869382.db2.gz HEGIQFOPAMAPGN-UHFFFAOYSA-N -1 3 247.294 2.107 20 0 BEADHM O=C(CCc1ccsc1)[N-]OCC1CC1 ZINC000293735932 386869442 /nfs/dbraw/zinc/86/94/42/386869442.db2.gz IIYRQPUKDJPKMH-UHFFFAOYSA-N -1 3 225.313 2.139 20 0 BEADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H](F)C1 ZINC000334838218 386880502 /nfs/dbraw/zinc/88/05/02/386880502.db2.gz RTUUJPFQKDSUSC-ZETCQYMHSA-N -1 3 243.665 2.230 20 0 BEADHM C[C@@H](C(=O)Nc1ncccc1[O-])C(C)(C)C ZINC000330793777 386890043 /nfs/dbraw/zinc/89/00/43/386890043.db2.gz FNJPZBDUWFAHMK-QMMMGPOBSA-N -1 3 222.288 2.408 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)/C=C/c1cnccc1C ZINC000293888007 386895470 /nfs/dbraw/zinc/89/54/70/386895470.db2.gz ZNHVPMHUIRGYDK-MVIFTORASA-N -1 3 248.326 2.497 20 0 BEADHM C[C@H]1CN(C(=O)c2csc(=O)[n-]2)C(C)(C)C1 ZINC000335761942 386901397 /nfs/dbraw/zinc/90/13/97/386901397.db2.gz XYAKNTPEGGWEAG-SSDOTTSWSA-N -1 3 240.328 2.109 20 0 BEADHM COc1cc(C(=O)NC2(C(C)C)CC2)ccc1[O-] ZINC000293938433 386905715 /nfs/dbraw/zinc/90/57/15/386905715.db2.gz NRARABMHLYORGJ-UHFFFAOYSA-N -1 3 249.310 2.319 20 0 BEADHM Cc1ccc(C(=O)NCC(F)(F)F)c([O-])c1C ZINC000051422929 386946435 /nfs/dbraw/zinc/94/64/35/386946435.db2.gz KMVJHMXKVFBMHT-UHFFFAOYSA-N -1 3 247.216 2.301 20 0 BEADHM CC(C)(C)CCC(=O)NCc1ncccc1[O-] ZINC000331023017 386936856 /nfs/dbraw/zinc/93/68/56/386936856.db2.gz QYZGZCLSFAIIDI-UHFFFAOYSA-N -1 3 236.315 2.230 20 0 BEADHM CC[C@@H](C)[C@@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000334052789 387054130 /nfs/dbraw/zinc/05/41/30/387054130.db2.gz VZDZCFFCCBWBCM-RNFRBKRXSA-N -1 3 228.317 2.013 20 0 BEADHM CS[C@H](C)CCC(=O)Nc1ncccc1[O-] ZINC000359186269 387066039 /nfs/dbraw/zinc/06/60/39/387066039.db2.gz GEHMSBYAWSATAK-MRVPVSSYSA-N -1 3 240.328 2.257 20 0 BEADHM CCc1oc(C(=O)N=c2[n-]oc(C)c2C)cc1C ZINC000334883839 387027815 /nfs/dbraw/zinc/02/78/15/387027815.db2.gz RUNPUDXJJSMXNB-UHFFFAOYSA-N -1 3 248.282 2.429 20 0 BEADHM CC(C)[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000228296733 387085978 /nfs/dbraw/zinc/08/59/78/387085978.db2.gz LSOXXDXBRGLVKU-JTQLQIEISA-N -1 3 249.310 2.216 20 0 BEADHM O=C(c1cccc([O-])c1)N1CCC[C@H]1C1CC1 ZINC000370365823 387111243 /nfs/dbraw/zinc/11/12/43/387111243.db2.gz MXBUCVAQOKBWHZ-ZDUSSCGKSA-N -1 3 231.295 2.407 20 0 BEADHM O=C(NCc1ccc([O-])c(F)c1)[C@@]12C[C@@H]1CCC2 ZINC000335025752 387117054 /nfs/dbraw/zinc/11/70/54/387117054.db2.gz LEIBIFKBPABCMJ-HZMBPMFUSA-N -1 3 249.285 2.338 20 0 BEADHM CC[C@H]1C[C@H](NC(=O)c2ccccc2[O-])CCO1 ZINC000335028168 387120712 /nfs/dbraw/zinc/12/07/12/387120712.db2.gz YYIKPFOYUGLUSS-MNOVXSKESA-N -1 3 249.310 2.080 20 0 BEADHM Cc1cccc([O-])c1C(=O)NCC(C)C ZINC000623380235 387236288 /nfs/dbraw/zinc/23/62/88/387236288.db2.gz XIEVFZZBRBNSRL-UHFFFAOYSA-N -1 3 207.273 2.086 20 0 BEADHM CC1(C)CCCN1C(=O)c1cccc([O-])c1 ZINC000063072956 387247004 /nfs/dbraw/zinc/24/70/04/387247004.db2.gz BXSPUGYRSAEIKW-UHFFFAOYSA-N -1 3 219.284 2.407 20 0 BEADHM CC(C)CCC[C@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000353420427 387197524 /nfs/dbraw/zinc/19/75/24/387197524.db2.gz HBOVDHOYQSYLMW-JTQLQIEISA-N -1 3 247.346 2.353 20 0 BEADHM CCC[C@H](C)CC(=O)NCc1ncccc1[O-] ZINC000352511799 387269067 /nfs/dbraw/zinc/26/90/67/387269067.db2.gz ZNKADMHGBNJRBX-JTQLQIEISA-N -1 3 236.315 2.230 20 0 BEADHM C[C@H]1CC[C@H](C)N1Cc1cc(C(=O)[O-])co1 ZINC000514730722 387281604 /nfs/dbraw/zinc/28/16/04/387281604.db2.gz UFSYZJOFCNEEIW-IUCAKERBSA-N -1 3 223.272 2.351 20 0 BEADHM C[C@H](CNC(=O)c1ccccc1[O-])CC(F)F ZINC000648470490 387357932 /nfs/dbraw/zinc/35/79/32/387357932.db2.gz QZDBLNHRGLUMLT-QMMMGPOBSA-N -1 3 243.253 2.413 20 0 BEADHM CC[C@H](C)[C@H](OC)C(=O)Nc1ccccc1[O-] ZINC000354823820 387434243 /nfs/dbraw/zinc/43/42/43/387434243.db2.gz YCEBIUCSBMTATM-CABZTGNLSA-N -1 3 237.299 2.392 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@H]2CC[C@@H](C)C2)c1C ZINC000336616838 387457035 /nfs/dbraw/zinc/45/70/35/387457035.db2.gz QIVKXGPAIIQMAC-SCZZXKLOSA-N -1 3 235.331 2.077 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]2C)c1 ZINC000515490896 387389313 /nfs/dbraw/zinc/38/93/13/387389313.db2.gz VCMSMANIYXZJNV-BXKDBHETSA-N -1 3 233.311 2.483 20 0 BEADHM Cc1cc(CC(=O)Nc2c(C)cccc2[O-])no1 ZINC000336588221 387414467 /nfs/dbraw/zinc/41/44/67/387414467.db2.gz CZDVNKDVLYHFSE-UHFFFAOYSA-N -1 3 246.266 2.178 20 0 BEADHM CSCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000336619229 387460998 /nfs/dbraw/zinc/46/09/98/387460998.db2.gz DQYYOLIBWKOKGW-UHFFFAOYSA-N -1 3 231.704 2.347 20 0 BEADHM CN(Cc1ccc(C(=O)[O-])o1)C1CCCC1 ZINC000037092951 387421033 /nfs/dbraw/zinc/42/10/33/387421033.db2.gz TWRLONNSRAZKBJ-UHFFFAOYSA-N -1 3 223.272 2.352 20 0 BEADHM CCc1cc(=O)[n-]c(CN2[C@H](C)CC[C@H]2C)n1 ZINC000122225573 387500749 /nfs/dbraw/zinc/50/07/49/387500749.db2.gz ZLAAFXYIRHLYCI-NXEZZACHSA-N -1 3 235.331 2.117 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC[C@@H]3CCC[C@H]32)n1 ZINC000355156087 387488948 /nfs/dbraw/zinc/48/89/48/387488948.db2.gz ABNFHDROKHLMTF-CMPLNLGQSA-N -1 3 247.342 2.119 20 0 BEADHM O=C(CC1(O)CCCCC1)Nc1ccccc1[O-] ZINC000305225586 387583241 /nfs/dbraw/zinc/58/32/41/387583241.db2.gz KMZJGIYSIVHBJN-UHFFFAOYSA-N -1 3 249.310 2.416 20 0 BEADHM Cc1cnc([C@@H](C)[N-]c2nnc(C)o2)s1 ZINC000287923205 387550895 /nfs/dbraw/zinc/55/08/95/387550895.db2.gz QJTYUMKHGNXAPX-ZCFIWIBFSA-N -1 3 224.289 2.316 20 0 BEADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000397220333 387551363 /nfs/dbraw/zinc/55/13/63/387551363.db2.gz FHRVODLDDGDDBO-OCCSQVGLSA-N -1 3 249.310 2.262 20 0 BEADHM COc1cccc(C(=O)N(C)[C@H](C)C2CC2)c1[O-] ZINC000035207586 387561714 /nfs/dbraw/zinc/56/17/14/387561714.db2.gz YQDGMUJHRJPBPZ-SECBINFHSA-N -1 3 249.310 2.271 20 0 BEADHM CCC[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000648116595 387688988 /nfs/dbraw/zinc/68/89/88/387688988.db2.gz BVUQHEKCOJFOTH-SECBINFHSA-N -1 3 239.290 2.379 20 0 BEADHM COc1cc(C(=O)NC[C@H]2CC2(C)C)ccc1[O-] ZINC000442652651 387812964 /nfs/dbraw/zinc/81/29/64/387812964.db2.gz OGRJCNJBKVPCPB-SNVBAGLBSA-N -1 3 249.310 2.177 20 0 BEADHM Cc1ccc(C(=O)NC(CF)CF)c([O-])c1C ZINC000452323513 387803649 /nfs/dbraw/zinc/80/36/49/387803649.db2.gz UQGPBNUGLDLBJZ-UHFFFAOYSA-N -1 3 243.253 2.046 20 0 BEADHM CN(CCC1CC1)Cc1ccc(C(=O)[O-])o1 ZINC000309554883 387820518 /nfs/dbraw/zinc/82/05/18/387820518.db2.gz LYXAXYIPIPZEPL-UHFFFAOYSA-N -1 3 223.272 2.210 20 0 BEADHM CC(C)CC1(C(=O)NCc2ncccc2[O-])CC1 ZINC000442808788 387846117 /nfs/dbraw/zinc/84/61/17/387846117.db2.gz IIRQDVHPOVTRMS-UHFFFAOYSA-N -1 3 248.326 2.230 20 0 BEADHM Cc1ccc(NC(=O)c2cscn2)c([O-])c1 ZINC000062357773 387853772 /nfs/dbraw/zinc/85/37/72/387853772.db2.gz VEFQVRVPAMJRTK-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCCC12CC2 ZINC000528328836 387893185 /nfs/dbraw/zinc/89/31/85/387893185.db2.gz FQUNJQBEOFXLHS-WDEREUQCSA-N -1 3 239.315 2.141 20 0 BEADHM Cc1ccc(C(=O)N[C@H]2CC[C@H]2C)c([O-])c1 ZINC000393785260 387940908 /nfs/dbraw/zinc/94/09/08/387940908.db2.gz CDGFVLCRPTURFM-KOLCDFICSA-N -1 3 219.284 2.229 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000245952125 387994688 /nfs/dbraw/zinc/99/46/88/387994688.db2.gz SPQZCGMVTNHRQK-MNOVXSKESA-N -1 3 249.358 2.223 20 0 BEADHM CC(C)c1cccc(NC(=O)c2cnn[n-]2)c1 ZINC000108288442 388024399 /nfs/dbraw/zinc/02/43/99/388024399.db2.gz VSCDVBMMXGASMP-UHFFFAOYSA-N -1 3 230.271 2.180 20 0 BEADHM CC(C)c1cccc(NC(=O)c2c[n-]nn2)c1 ZINC000108288442 388024401 /nfs/dbraw/zinc/02/44/01/388024401.db2.gz VSCDVBMMXGASMP-UHFFFAOYSA-N -1 3 230.271 2.180 20 0 BEADHM CC(C)c1cccc(NC(=O)c2cn[n-]n2)c1 ZINC000108288442 388024404 /nfs/dbraw/zinc/02/44/04/388024404.db2.gz VSCDVBMMXGASMP-UHFFFAOYSA-N -1 3 230.271 2.180 20 0 BEADHM O=C([O-])c1sccc1CN1CCCCC1 ZINC000082509353 388117146 /nfs/dbraw/zinc/11/71/46/388117146.db2.gz ZDKHQPYBEJNWKS-UHFFFAOYSA-N -1 3 225.313 2.432 20 0 BEADHM COc1ccccc1C1(NCCCC(=O)[O-])CC1 ZINC000646000697 388122319 /nfs/dbraw/zinc/12/23/19/388122319.db2.gz PGLQIPNNXUFVPY-UHFFFAOYSA-N -1 3 249.310 2.139 20 0 BEADHM O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccccc1[O-] ZINC000456874721 388230345 /nfs/dbraw/zinc/23/03/45/388230345.db2.gz FGDAOXFXMTZROF-JQWIXIFHSA-N -1 3 231.295 2.168 20 0 BEADHM Cc1ccc(C(=O)NC[C@@H]2C[C@H]2C2CC2)c([O-])c1 ZINC000456880274 388230822 /nfs/dbraw/zinc/23/08/22/388230822.db2.gz MMFAPFZYQYBVGF-AAEUAGOBSA-N -1 3 245.322 2.477 20 0 BEADHM CC1(C)SC[C@H]1NC(=O)c1ccccc1[O-] ZINC000276621566 388351239 /nfs/dbraw/zinc/35/12/39/388351239.db2.gz ODTREIOYZQBMNZ-SNVBAGLBSA-N -1 3 237.324 2.016 20 0 BEADHM C[C@H](CO)[C@H](C)NCc1cccc([O-])c1Cl ZINC000293652806 388356538 /nfs/dbraw/zinc/35/65/38/388356538.db2.gz SPUSQFJEUSFGGL-BDAKNGLRSA-N -1 3 243.734 2.152 20 0 BEADHM CC(C)CCNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646577770 388387273 /nfs/dbraw/zinc/38/72/73/388387273.db2.gz MDASUTGOFQVRLH-UHFFFAOYSA-N -1 3 247.298 2.044 20 0 BEADHM CC(C)(O)CCNCc1cccc([O-])c1Cl ZINC000293301586 388387929 /nfs/dbraw/zinc/38/79/29/388387929.db2.gz PNUHNYRBJQHWGL-UHFFFAOYSA-N -1 3 243.734 2.296 20 0 BEADHM CC(C)[C@@H](O)CNCc1cccc([O-])c1Cl ZINC000293501627 388389021 /nfs/dbraw/zinc/38/90/21/388389021.db2.gz HIIZKNFOTMFHDS-NSHDSACASA-N -1 3 243.734 2.152 20 0 BEADHM CC(C)[C@H](O)CNCc1cccc([O-])c1Cl ZINC000293501625 388389949 /nfs/dbraw/zinc/38/99/49/388389949.db2.gz HIIZKNFOTMFHDS-LLVKDONJSA-N -1 3 243.734 2.152 20 0 BEADHM O=C(/C=C\C1CC1)Nc1ccccc1[O-] ZINC000492203137 388338052 /nfs/dbraw/zinc/33/80/52/388338052.db2.gz BELCOTNIOPXNAO-FPLPWBNLSA-N -1 3 203.241 2.297 20 0 BEADHM O=C(/C=C\C1CC1)Nc1cccc([O-])c1F ZINC000492267430 388340021 /nfs/dbraw/zinc/34/00/21/388340021.db2.gz BHQQDPJBKILTIN-SREVYHEPSA-N -1 3 221.231 2.436 20 0 BEADHM CC[C@](C)(CNc1ccncc1C(=O)[O-])OC ZINC000322609629 388441141 /nfs/dbraw/zinc/44/11/41/388441141.db2.gz KMFAQPFBIBCPPU-GFCCVEGCSA-N -1 3 238.287 2.007 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1(C)CC1 ZINC000649231503 388463354 /nfs/dbraw/zinc/46/33/54/388463354.db2.gz XZMVQQQMLFUVET-UHFFFAOYSA-N -1 3 221.304 2.002 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H](C)C1CC1 ZINC000649231375 388464365 /nfs/dbraw/zinc/46/43/65/388464365.db2.gz SCQOEJBLSCSKRZ-QMMMGPOBSA-N -1 3 235.331 2.248 20 0 BEADHM Cc1ccc(C(=O)N(C)CC2CC2)c([O-])c1C ZINC000079769147 388546748 /nfs/dbraw/zinc/54/67/48/388546748.db2.gz XOWVWMYHIZFIFO-UHFFFAOYSA-N -1 3 233.311 2.491 20 0 BEADHM CC[C@H](O)CC(=O)Nc1c([O-])cccc1Cl ZINC000517245336 256822237 /nfs/dbraw/zinc/82/22/37/256822237.db2.gz RAUMEBXBQJZAEI-ZETCQYMHSA-N -1 3 243.690 2.145 20 0 BEADHM CC(C)O[C@@]1(C)C[C@H]1NC(=O)c1cccc([O-])c1 ZINC000529965963 388598891 /nfs/dbraw/zinc/59/88/91/388598891.db2.gz HHJIEVCUUOWCLK-OCCSQVGLSA-N -1 3 249.310 2.078 20 0 BEADHM CC(C)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530168392 388619125 /nfs/dbraw/zinc/61/91/25/388619125.db2.gz LLOJRIIMPZIGLN-UHFFFAOYSA-N -1 3 237.274 2.290 20 0 BEADHM C[C@@H]1CC(C(=O)[O-])C[C@H](C)N1C/C=C\Cl ZINC000530177026 388622020 /nfs/dbraw/zinc/62/20/20/388622020.db2.gz WDJHCGOFXATWTO-HQRTVKKKSA-N -1 3 231.723 2.313 20 0 BEADHM O=C(Cc1cncc([O-])c1)NCCC1CCCC1 ZINC000552970203 388742039 /nfs/dbraw/zinc/74/20/39/388742039.db2.gz OAYXBGVSXSEUOY-UHFFFAOYSA-N -1 3 248.326 2.026 20 0 BEADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)on1 ZINC000128279607 388744801 /nfs/dbraw/zinc/74/48/01/388744801.db2.gz MQCJIZWWKZQFNZ-UHFFFAOYSA-N -1 3 236.202 2.080 20 0 BEADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCCO1 ZINC000128339958 388749558 /nfs/dbraw/zinc/74/95/58/388749558.db2.gz RASFFOAXGAKDDW-JTQLQIEISA-N -1 3 239.246 2.039 20 0 BEADHM CC1(C)CCN(Cc2ccoc2C(=O)[O-])C1 ZINC000087256609 388700670 /nfs/dbraw/zinc/70/06/70/388700670.db2.gz YPUJNRMNUIOVIQ-UHFFFAOYSA-N -1 3 223.272 2.210 20 0 BEADHM Cc1ccc(C(=O)NC[C@H]2CC2(C)C)c([O-])c1 ZINC000226260043 388713821 /nfs/dbraw/zinc/71/38/21/388713821.db2.gz HOPCDQAXCGFGPJ-SNVBAGLBSA-N -1 3 233.311 2.477 20 0 BEADHM COc1ccc([O-])c(C(=O)NC(C)(C)C2CC2)c1 ZINC000227507716 388767692 /nfs/dbraw/zinc/76/76/92/388767692.db2.gz PEMGQDBDVJRIBT-UHFFFAOYSA-N -1 3 249.310 2.319 20 0 BEADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](C)C1 ZINC000252543107 388767947 /nfs/dbraw/zinc/76/79/47/388767947.db2.gz GQKNYKFMVWIRTO-DTWKUNHWSA-N -1 3 223.272 2.381 20 0 BEADHM CCc1cccc(C(=O)N2CC[C@H](C)C2)c1[O-] ZINC000539881464 388787902 /nfs/dbraw/zinc/78/79/02/388787902.db2.gz ATMFCTROAZGCAO-JTQLQIEISA-N -1 3 233.311 2.437 20 0 BEADHM O=c1cc(C=Cc2cocn2)nc(C2CC2)[n-]1 ZINC000554518898 388818268 /nfs/dbraw/zinc/81/82/68/388818268.db2.gz XPPCFDFBJIBUEJ-ARJAWSKDSA-N -1 3 229.239 2.218 20 0 BEADHM Cc1csc([C@H](C)NCc2ncccc2[O-])n1 ZINC000554861919 388834899 /nfs/dbraw/zinc/83/48/99/388834899.db2.gz UMTZRAOXCWUPPS-VIFPVBQESA-N -1 3 249.339 2.403 20 0 BEADHM CCO[N-]C(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 ZINC000069645144 388854411 /nfs/dbraw/zinc/85/44/11/388854411.db2.gz QIMQDBVPTQONES-RCKQQEMXSA-N -1 3 235.283 2.484 20 0 BEADHM Cc1ccc([O-])c(NC(=O)CSC(C)C)n1 ZINC000541533045 388855215 /nfs/dbraw/zinc/85/52/15/388855215.db2.gz JASGEWUAESGOMY-UHFFFAOYSA-N -1 3 240.328 2.176 20 0 BEADHM CCN(CC1CCC1)C(=O)c1c([O-])cccc1O ZINC000232434924 388850586 /nfs/dbraw/zinc/85/05/86/388850586.db2.gz UMBPLHDSXMEIAX-UHFFFAOYSA-N -1 3 249.310 2.360 20 0 BEADHM O=C(C1CCC1)N1CCCc2cccc([O-])c21 ZINC000063063753 132388548 /nfs/dbraw/zinc/38/85/48/132388548.db2.gz INDIFXIWXHITRY-UHFFFAOYSA-N -1 3 231.295 2.472 20 0 BEADHM O=C(Nc1ccccc1[O-])c1cncc(F)c1 ZINC000335764762 133896648 /nfs/dbraw/zinc/89/66/48/133896648.db2.gz PDKMIRURFBDDHO-UHFFFAOYSA-N -1 3 232.214 2.179 20 0 BEADHM CC1(C(=O)Nc2cc(Cl)ccc2[O-])COC1 ZINC000335986149 134038712 /nfs/dbraw/zinc/03/87/12/134038712.db2.gz YVIZPTZBBHSLEM-UHFFFAOYSA-N -1 3 241.674 2.021 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2cnn(C(C)C)c2)n1 ZINC000352029432 134045019 /nfs/dbraw/zinc/04/50/19/134045019.db2.gz ZILYMTNVSJLFIL-PLNGDYQASA-N -1 3 244.298 2.438 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C[C@@H]2C[C@@H]2C)n1 ZINC000336016454 134053494 /nfs/dbraw/zinc/05/34/94/134053494.db2.gz ZTYGZZNRSNZZGD-CBAPKCEASA-N -1 3 220.272 2.080 20 0 BEADHM C[C@@H]1C[C@H](C)N1C(=O)c1cccc([O-])c1 ZINC000336065192 134069963 /nfs/dbraw/zinc/06/99/63/134069963.db2.gz XOQYJXNRAWYZDW-DTORHVGOSA-N -1 3 205.257 2.015 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2[C@H](C)C[C@@H]2C)c1 ZINC000336158146 134106635 /nfs/dbraw/zinc/10/66/35/134106635.db2.gz YUZXDHAWOTZSTG-AOOOYVTPSA-N -1 3 219.284 2.324 20 0 BEADHM CC[C@H]1CCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000336157817 134106754 /nfs/dbraw/zinc/10/67/54/134106754.db2.gz QVZXYDIESMLWJT-JTQLQIEISA-N -1 3 235.283 2.025 20 0 BEADHM CCO[N-]C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000175086815 134284386 /nfs/dbraw/zinc/28/43/86/134284386.db2.gz CRSOLJWXGFVHGD-ZFWWWQNUSA-N -1 3 245.322 2.348 20 0 BEADHM CCO[N-]C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000175086801 134284546 /nfs/dbraw/zinc/28/45/46/134284546.db2.gz CRSOLJWXGFVHGD-UKRRQHHQSA-N -1 3 245.322 2.348 20 0 BEADHM COc1ccncc1NC(=O)c1cccc([O-])c1 ZINC000182265599 134343696 /nfs/dbraw/zinc/34/36/96/134343696.db2.gz WJHYXQBACOWUPM-UHFFFAOYSA-N -1 3 244.250 2.048 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC[C@@H]2CC2(C)C)c1 ZINC000226260091 134362443 /nfs/dbraw/zinc/36/24/43/134362443.db2.gz MGJCSTPCJMNONX-JTQLQIEISA-N -1 3 233.311 2.477 20 0 BEADHM Cc1nnc(NC(=O)c2ccc([O-])c(C)c2)s1 ZINC000226715464 134370653 /nfs/dbraw/zinc/37/06/53/134370653.db2.gz AVRILGPHPQRCAN-UHFFFAOYSA-N -1 3 249.295 2.113 20 0 BEADHM Cc1cc(C(=O)NCc2nccs2)ccc1[O-] ZINC000227019076 134373571 /nfs/dbraw/zinc/37/35/71/134373571.db2.gz UPCHEVABNRGXIL-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM O=C(N[C@H]1CCCSC1)c1cccc([O-])c1 ZINC000163681487 135045451 /nfs/dbraw/zinc/04/54/51/135045451.db2.gz XJXWEICRNGCUJS-JTQLQIEISA-N -1 3 237.324 2.018 20 0 BEADHM O=C(N[C@@H]1CCCSC1)c1cccc([O-])c1 ZINC000163681371 135045551 /nfs/dbraw/zinc/04/55/51/135045551.db2.gz XJXWEICRNGCUJS-SNVBAGLBSA-N -1 3 237.324 2.018 20 0 BEADHM C[C@@H](C(=O)[O-])N1CCC[C@H]1c1ccsc1 ZINC000261531907 135161763 /nfs/dbraw/zinc/16/17/63/135161763.db2.gz IHYYRFJOAMMDOR-WPRPVWTQSA-N -1 3 225.313 2.358 20 0 BEADHM CSc1ccccc1CN(C)CCC(=O)[O-] ZINC000261573696 135216091 /nfs/dbraw/zinc/21/60/91/135216091.db2.gz IWPZXYOHRGTDEH-UHFFFAOYSA-N -1 3 239.340 2.315 20 0 BEADHM CCC(CC)[C@@H](C)C(=O)Nc1ccncc1[O-] ZINC000342463379 135277213 /nfs/dbraw/zinc/27/72/13/135277213.db2.gz OZCKPDXMKSDUGU-SECBINFHSA-N -1 3 236.315 2.220 20 0 BEADHM CCc1cccc(F)c1CN(C)[C@@H](C)C(=O)[O-] ZINC000263449233 135355562 /nfs/dbraw/zinc/35/55/62/135355562.db2.gz ZAPOTTHFPIXROJ-VIFPVBQESA-N -1 3 239.290 2.293 20 0 BEADHM O=C(Cc1ccncc1)Nc1cccc([O-])c1F ZINC000334349787 135367685 /nfs/dbraw/zinc/36/76/85/135367685.db2.gz VEHIHPTZBKQJSG-UHFFFAOYSA-N -1 3 246.241 2.108 20 0 BEADHM O=C(Nc1ccccc1[O-])[C@H]1CCSC1 ZINC000334357964 135370015 /nfs/dbraw/zinc/37/00/15/135370015.db2.gz RJICZEZVHMTNGW-QMMMGPOBSA-N -1 3 223.297 2.084 20 0 BEADHM [O-]c1cc(F)cc(CN[C@@H]2C[C@@H]2C(F)F)c1 ZINC000348214456 136045966 /nfs/dbraw/zinc/04/59/66/136045966.db2.gz COKIJEITILRZPK-VHSXEESVSA-N -1 3 231.217 2.275 20 0 BEADHM Cc1ccnc([C@H](C)NCc2ncccc2[O-])c1 ZINC000348358292 136072522 /nfs/dbraw/zinc/07/25/22/136072522.db2.gz QMUAGVDXKUDKEX-NSHDSACASA-N -1 3 243.310 2.341 20 0 BEADHM Cc1ccoc1C(=O)[N-]c1ncn(C(C)C)n1 ZINC000650277800 398044929 /nfs/dbraw/zinc/04/49/29/398044929.db2.gz NPMVETDECBSORS-UHFFFAOYSA-N -1 3 234.259 2.013 20 0 BEADHM Cc1cc(C(=O)N2CCC[C@@H]2C)ccc1[O-] ZINC000202526251 397970300 /nfs/dbraw/zinc/97/03/00/397970300.db2.gz FPLUDQUAZHKSRY-JTQLQIEISA-N -1 3 219.284 2.325 20 0 BEADHM CCc1cc(C(=O)NC[C@@H]2C[C@H]2C)ccc1[O-] ZINC000291559902 398095056 /nfs/dbraw/zinc/09/50/56/398095056.db2.gz XSTLVWHGPZSXSI-SKDRFNHKSA-N -1 3 233.311 2.340 20 0 BEADHM CC(F)(F)C(=O)[N-]C(C)(C)c1nccs1 ZINC000293682123 398117634 /nfs/dbraw/zinc/11/76/34/398117634.db2.gz KISPKBDZSKUZJM-UHFFFAOYSA-N -1 3 234.271 2.150 20 0 BEADHM C[C@]1(O)CCN(Cc2cccc([O-])c2Cl)C1 ZINC000294333524 398125528 /nfs/dbraw/zinc/12/55/28/398125528.db2.gz RUCIVRGJRFZMIZ-LBPRGKRZSA-N -1 3 241.718 2.002 20 0 BEADHM O=C(Nc1cccc2n[n-]nc21)C1CCCCC1 ZINC000074852743 487584637 /nfs/dbraw/zinc/58/46/37/487584637.db2.gz LGPCQNZVTQYMGY-UHFFFAOYSA-N -1 3 244.298 2.477 20 0 BEADHM CC(C)ON=C([O-])Nc1cccnc1Cl ZINC000296478928 167276444 /nfs/dbraw/zinc/27/64/44/167276444.db2.gz XIRFBNOEZUYEAL-UHFFFAOYSA-N -1 3 229.667 2.197 20 0 BEADHM CC(C)O[N-]C(=O)Nc1cccnc1Cl ZINC000296478928 167276446 /nfs/dbraw/zinc/27/64/46/167276446.db2.gz XIRFBNOEZUYEAL-UHFFFAOYSA-N -1 3 229.667 2.197 20 0 BEADHM [O-]c1ccc(-c2nc3cnccc3s2)nc1 ZINC000536158438 487605706 /nfs/dbraw/zinc/60/57/06/487605706.db2.gz RGANDULNSZAQPA-UHFFFAOYSA-N -1 3 229.264 2.459 20 0 BEADHM CC(C)SCCNC(=O)c1cccc([O-])c1 ZINC000286650516 167329915 /nfs/dbraw/zinc/32/99/15/167329915.db2.gz IKRVUACKIMFQJS-UHFFFAOYSA-N -1 3 239.340 2.264 20 0 BEADHM CC1(NC(=O)c2cccc([O-])c2)CC=CC1 ZINC000655228015 409644502 /nfs/dbraw/zinc/64/45/02/409644502.db2.gz 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239.319 2.033 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660930898 411682029 /nfs/dbraw/zinc/68/20/29/411682029.db2.gz LBAPUQOEIARFOK-SRVKXCTJSA-N -1 3 247.342 2.426 20 0 BEADHM CC[C@@H]1CCN1C(=O)c1cccc([O-])c1 ZINC000293912546 171020578 /nfs/dbraw/zinc/02/05/78/171020578.db2.gz GMDMIRRBCGWTJS-SNVBAGLBSA-N -1 3 205.257 2.017 20 0 BEADHM CC[C@@H]1CN(C(=O)c2cccc([O-])c2)CCCO1 ZINC000281166503 171071191 /nfs/dbraw/zinc/07/11/91/171071191.db2.gz BKMZNYZNPGNARF-CYBMUJFWSA-N -1 3 249.310 2.033 20 0 BEADHM CC[C@@H]1C[C@H]1C(=O)Nc1ccccc1[O-] ZINC000336238012 171131480 /nfs/dbraw/zinc/13/14/80/171131480.db2.gz JBNSEHSRSGGZES-RKDXNWHRSA-N -1 3 205.257 2.377 20 0 BEADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C)cs1 ZINC000336271249 171142213 /nfs/dbraw/zinc/14/22/13/171142213.db2.gz XSOOTKVJPWJXRO-RKDXNWHRSA-N -1 3 245.369 2.133 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)Cc1cccnc1C ZINC000293694053 171288870 /nfs/dbraw/zinc/28/88/70/171288870.db2.gz KJYZODGXXBMTOB-JTQLQIEISA-N -1 3 236.315 2.026 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)C[C@@H]1C=CCC1 ZINC000293696255 171289065 /nfs/dbraw/zinc/28/90/65/171289065.db2.gz KQIOOIORXOHGRT-WDEREUQCSA-N -1 3 211.305 2.437 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)Cc1ccccc1F ZINC000292100069 171289365 /nfs/dbraw/zinc/28/93/65/171289365.db2.gz GIPSNPZJLUFMLK-JTQLQIEISA-N -1 3 239.290 2.462 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)/C=C/c1cccnc1 ZINC000293593737 171289494 /nfs/dbraw/zinc/28/94/94/171289494.db2.gz BVDWLIBGLNWFRY-MLRMMBSGSA-N -1 3 234.299 2.189 20 0 BEADHM CC[C@H](C)CONC(=O)c1ccc([O-])c(C)c1 ZINC000293841844 171290551 /nfs/dbraw/zinc/29/05/51/171290551.db2.gz WOCHBQPDIFDVGS-VIFPVBQESA-N -1 3 237.299 2.408 20 0 BEADHM CC[C@H](C)CONC(=O)c1cc(C)ccc1[O-] ZINC000293636690 171290620 /nfs/dbraw/zinc/29/06/20/171290620.db2.gz FWDUTOCGDNPRND-VIFPVBQESA-N -1 3 237.299 2.408 20 0 BEADHM CC[C@H](C)C[C@@H](C)Nc1nc2nncc-2c(O)[n-]1 ZINC000290864345 171295363 /nfs/dbraw/zinc/29/53/63/171295363.db2.gz YZBHCNLEINITHS-JGVFFNPUSA-N -1 3 249.318 2.295 20 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CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000155525220 171624934 /nfs/dbraw/zinc/62/49/34/171624934.db2.gz QRPMLWODKYONIK-CABZTGNLSA-N -1 3 249.310 2.406 20 0 BEADHM Cc1ccc(CNC[C@@H](C(=O)[O-])C2CCC2)o1 ZINC000665362430 412288363 /nfs/dbraw/zinc/28/83/63/412288363.db2.gz DIBSHWZMZHAAEL-GFCCVEGCSA-N -1 3 237.299 2.179 20 0 BEADHM CCc1nc([C@H](C)[N-]C(=O)C(F)F)cs1 ZINC000279023052 172004494 /nfs/dbraw/zinc/00/44/94/172004494.db2.gz MVTKNWNHWGUADN-YFKPBYRVSA-N -1 3 234.271 2.148 20 0 BEADHM CCc1[n-]cnc(=NOCC(C)C)c1F ZINC000276202117 172033006 /nfs/dbraw/zinc/03/30/06/172033006.db2.gz IXLNPVAZWWISMA-UHFFFAOYSA-N -1 3 213.256 2.178 20 0 BEADHM CCc1onc(C)c1NC([O-])=NOC(C)C ZINC000297693546 172125635 /nfs/dbraw/zinc/12/56/35/172125635.db2.gz HPLXLVNYKIRLTG-UHFFFAOYSA-N -1 3 227.264 2.007 20 0 BEADHM CCc1onc(C)c1NC(=O)[N-]OC(C)C ZINC000297693546 172125637 /nfs/dbraw/zinc/12/56/37/172125637.db2.gz HPLXLVNYKIRLTG-UHFFFAOYSA-N -1 3 227.264 2.007 20 0 BEADHM CCn1c(=O)[n-]nc1SC1CCCCC1 ZINC000336438910 172145800 /nfs/dbraw/zinc/14/58/00/172145800.db2.gz CFGAAYMKWCSDFY-UHFFFAOYSA-N -1 3 227.333 2.428 20 0 BEADHM CCn1nc(C[N-]c2nnco2)c2ccccc21 ZINC000285060975 172250146 /nfs/dbraw/zinc/25/01/46/172250146.db2.gz IHBSNUBMUHIQPO-UHFFFAOYSA-N -1 3 243.270 2.051 20 0 BEADHM COCCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000270069477 174169145 /nfs/dbraw/zinc/16/91/45/174169145.db2.gz LKWPBQBAQYOEJK-UHFFFAOYSA-N -1 3 243.690 2.411 20 0 BEADHM COc1ccc(NC([O-])=NOC(C)C)cc1F ZINC000296675696 175144797 /nfs/dbraw/zinc/14/47/97/175144797.db2.gz PUSXBTIVLKTADC-UHFFFAOYSA-N -1 3 242.250 2.296 20 0 BEADHM COc1ccc(NC(=O)[N-]OC(C)C)cc1F ZINC000296675696 175144799 /nfs/dbraw/zinc/14/47/99/175144799.db2.gz PUSXBTIVLKTADC-UHFFFAOYSA-N -1 3 242.250 2.296 20 0 BEADHM COc1ccc(NC(=O)[C@@]2(C)C[C@@H]2F)c([O-])c1 ZINC000335150711 175146220 /nfs/dbraw/zinc/14/62/20/175146220.db2.gz FWEJHBDIWFBZAY-JQWIXIFHSA-N -1 3 239.246 2.087 20 0 BEADHM COc1cccc(-c2nc(C3CC3)no2)c1[O-] ZINC000104427618 175236418 /nfs/dbraw/zinc/23/64/18/175236418.db2.gz GJCSOOWOMALLGS-UHFFFAOYSA-N -1 3 232.239 2.328 20 0 BEADHM COc1cccc(C(=O)N2CC[C@@H](C)[C@H]2C)c1[O-] ZINC000177065320 175243733 /nfs/dbraw/zinc/24/37/33/175243733.db2.gz AKKOYHSYLYGMJA-NXEZZACHSA-N -1 3 249.310 2.271 20 0 BEADHM CS[C@@H](C)C(=O)Nc1ccccc1[O-] ZINC000033226575 175536936 /nfs/dbraw/zinc/53/69/36/175536936.db2.gz WFEODSNLPQBWKC-ZETCQYMHSA-N -1 3 211.286 2.082 20 0 BEADHM CS[C@H](C)CC(=O)Nc1ccccc1[O-] ZINC000123045777 175558920 /nfs/dbraw/zinc/55/89/20/175558920.db2.gz HPLXRKCODNPJJG-MRVPVSSYSA-N -1 3 225.313 2.472 20 0 BEADHM C[C@@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000125653544 176122341 /nfs/dbraw/zinc/12/23/41/176122341.db2.gz JJZAYMRMMNWBHR-NXEZZACHSA-N -1 3 249.310 2.406 20 0 BEADHM C[C@@H]1CCC[C@@H]1CC(=O)NCc1ncccc1[O-] ZINC000352508030 176126787 /nfs/dbraw/zinc/12/67/87/176126787.db2.gz LLMAOECMHQTJLO-GHMZBOCLSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000105384446 176149769 /nfs/dbraw/zinc/14/97/69/176149769.db2.gz INSLANYOABKOSJ-LDYMZIIASA-N -1 3 235.283 2.016 20 0 BEADHM C[C@@H]1CC[C@@H](CC(=O)[N-]OCc2cccnc2)C1 ZINC000152621329 176200840 /nfs/dbraw/zinc/20/08/40/176200840.db2.gz CWDZNRHHTPUVEI-VXGBXAGGSA-N -1 3 248.326 2.456 20 0 BEADHM C[C@H](NC(=O)c1cccc([O-])c1)C(F)(F)F ZINC000291742776 176819063 /nfs/dbraw/zinc/81/90/63/176819063.db2.gz KTGXGFRMCVMFFX-LURJTMIESA-N -1 3 233.189 2.073 20 0 BEADHM C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000019837043 177073621 /nfs/dbraw/zinc/07/36/21/177073621.db2.gz HQNWERLOTKVHFM-JTQLQIEISA-N -1 3 219.284 2.407 20 0 BEADHM C[C@H]1CCCCN1Cc1ccoc1C(=O)[O-] ZINC000034974426 177077012 /nfs/dbraw/zinc/07/70/12/177077012.db2.gz UNLDCFASSPMHIR-VIFPVBQESA-N -1 3 223.272 2.352 20 0 BEADHM C[C@@H]1CCC[C@H](C)N1Cc1oncc1C(=O)[O-] ZINC000077055663 177117410 /nfs/dbraw/zinc/11/74/10/177117410.db2.gz LPDIRIRZIIXOGK-DTORHVGOSA-N -1 3 238.287 2.136 20 0 BEADHM C[C@H]1CCC[C@@H]1CC(=O)NCc1ncccc1[O-] ZINC000352508033 177123948 /nfs/dbraw/zinc/12/39/48/177123948.db2.gz LLMAOECMHQTJLO-WDEREUQCSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@H]1CCC[C@@H]1NC(=O)c1c([O-])cccc1O ZINC000220467995 177125286 /nfs/dbraw/zinc/12/52/86/177125286.db2.gz PVIKXQCMGTXAFM-IUCAKERBSA-N -1 3 235.283 2.016 20 0 BEADHM C[C@H]1CCC[C@@]1(C)C(=O)NCc1ncccc1[O-] ZINC000336272833 177128803 /nfs/dbraw/zinc/12/88/03/177128803.db2.gz DDTAFXDBHQRUCH-IINYFYTJSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@H]1CCC[C@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000125653394 177136437 /nfs/dbraw/zinc/13/64/37/177136437.db2.gz JJZAYMRMMNWBHR-UWVGGRQHSA-N -1 3 249.310 2.406 20 0 BEADHM C[C@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000105384450 177142329 /nfs/dbraw/zinc/14/23/29/177142329.db2.gz INSLANYOABKOSJ-GZMMTYOYSA-N -1 3 235.283 2.016 20 0 BEADHM CC(=O)c1cccc(NC(=O)[C@@H]2CC23CC3)c1[O-] ZINC000335543345 487643403 /nfs/dbraw/zinc/64/34/03/487643403.db2.gz OOPWEMYHFZHSDM-JTQLQIEISA-N -1 3 245.278 2.333 20 0 BEADHM Cc1ccc(/C=C/C(=O)[N-]OCC(F)F)cc1 ZINC000492569588 226016530 /nfs/dbraw/zinc/01/65/30/226016530.db2.gz ZOSPYWHJJIIXPE-VOTSOKGWSA-N -1 3 241.237 2.321 20 0 BEADHM O=C(/C=C/c1cncc([O-])c1)NCCCC1CC1 ZINC000492476173 226004909 /nfs/dbraw/zinc/00/49/09/226004909.db2.gz SJJHGAQNAWWTGR-AATRIKPKSA-N -1 3 246.310 2.107 20 0 BEADHM Cc1ccc(/C=C/C(=O)[N-]OC/C=C\Cl)o1 ZINC000492950754 226089673 /nfs/dbraw/zinc/08/96/73/226089673.db2.gz LHDPHDFVIWITBU-KYKRFQMKSA-N -1 3 241.674 2.402 20 0 BEADHM Cn1ccc(/C=C/C(=O)[N-]OC2CCCCC2)c1 ZINC000493333181 226188963 /nfs/dbraw/zinc/18/89/63/226188963.db2.gz HRHKEAVYQVTGRG-BQYQJAHWSA-N -1 3 248.326 2.419 20 0 BEADHM O=C(/C=C/c1ccccc1)[N-]OC1CCC1 ZINC000493690993 226249466 /nfs/dbraw/zinc/24/94/66/226249466.db2.gz RXKFKLKWWBZQQA-MDZDMXLPSA-N -1 3 217.268 2.300 20 0 BEADHM O=C(/C=C\c1cncc([O-])c1)N[C@H]1C=CCCC1 ZINC000255697711 322937329 /nfs/dbraw/zinc/93/73/29/322937329.db2.gz YHRYARZGHIUVLA-DGMVEKRQSA-N -1 3 244.294 2.025 20 0 BEADHM C[C@@H](C(=O)[N-]C1(C(F)(F)F)CC1)C(F)(F)F ZINC000675038162 487664313 /nfs/dbraw/zinc/66/43/13/487664313.db2.gz BDGXSBGNIOWSTE-BYPYZUCNSA-N -1 3 249.154 2.396 20 0 BEADHM O=C(c1ccccc1[O-])N1C[C@H]2CCC[C@@H]2C1 ZINC000148885020 322939266 /nfs/dbraw/zinc/93/92/66/322939266.db2.gz RNPGHWJBMURLGF-GHMZBOCLSA-N -1 3 231.295 2.264 20 0 BEADHM O=C([O-])CN(Cc1cccs1)CC1CC1 ZINC000036885995 487717630 /nfs/dbraw/zinc/71/76/30/487717630.db2.gz YKEXKJFCIYWWLV-UHFFFAOYSA-N -1 3 225.313 2.045 20 0 BEADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CC12CCC2 ZINC000675416584 487725300 /nfs/dbraw/zinc/72/53/00/487725300.db2.gz YAWXPIHETIDOSO-SNVBAGLBSA-N -1 3 249.285 2.338 20 0 BEADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1cccnc1 ZINC000035122567 487750507 /nfs/dbraw/zinc/75/05/07/487750507.db2.gz CDOHZFVMMJCVAI-SNVBAGLBSA-N -1 3 242.278 2.278 20 0 BEADHM CC(C)CO[N-]C(=O)[C@H](C)CC(C)C ZINC000765338049 585483890 /nfs/dbraw/zinc/48/38/90/585483890.db2.gz VSFJJNWWUDZNQH-SNVBAGLBSA-N -1 3 201.310 2.372 20 0 BEADHM CC1(C)CC[C@@H]1NC(=O)/C=C\c1cncc([O-])c1 ZINC000493535438 487822875 /nfs/dbraw/zinc/82/28/75/487822875.db2.gz YQDXJYRFQRCEER-MVZIDQBPSA-N -1 3 246.310 2.105 20 0 BEADHM CC[C@H](CC(=O)[N-]OCCSC)C(C)C ZINC000794179466 586034113 /nfs/dbraw/zinc/03/41/13/586034113.db2.gz AMABSXFZAYCNLN-SNVBAGLBSA-N -1 3 233.377 2.470 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)C1(CCF)CC1 ZINC000794855471 586051840 /nfs/dbraw/zinc/05/18/40/586051840.db2.gz WFVZJNJOFBNDOT-VIFPVBQESA-N -1 3 217.284 2.220 20 0 BEADHM CC(C)(C)OCCCC(=O)[N-]OC/C=C\Cl ZINC000812405284 586576105 /nfs/dbraw/zinc/57/61/05/586576105.db2.gz VJWRUECURYVEQO-ALCCZGGFSA-N -1 3 249.738 2.382 20 0 BEADHM CCCO[N-]C(=O)/C=C/c1c(F)cccc1F ZINC000493857114 528599140 /nfs/dbraw/zinc/59/91/40/528599140.db2.gz MRVFMEFETVIJOO-VOTSOKGWSA-N -1 3 241.237 2.436 20 0 BEADHM C[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1F ZINC000679263827 487843996 /nfs/dbraw/zinc/84/39/96/487843996.db2.gz USPBTPLHLOHGKC-GXSJLCMTSA-N -1 3 237.274 2.212 20 0 BEADHM Cc1ccc(CN2CCC[C@@](C)(C(=O)[O-])C2)nc1 ZINC000156663195 487844026 /nfs/dbraw/zinc/84/40/26/487844026.db2.gz NYTDVCBFZMQSFD-CQSZACIVSA-N -1 3 248.326 2.077 20 0 BEADHM C[C@@H]1CCC[C@H](C)N1C(=O)Cc1cncc([O-])c1 ZINC000668218595 487880558 /nfs/dbraw/zinc/88/05/58/487880558.db2.gz POQGUKAYADTVMO-PHIMTYICSA-N -1 3 248.326 2.119 20 0 BEADHM CCC[C@@H](C)[C@@H](CC)Oc1[n-]c(=O)nnc1C ZINC001226464016 974913881 /nfs/dbraw/zinc/91/38/81/974913881.db2.gz LIYRASDTLYGRKK-PSASIEDQSA-N -1 3 239.319 2.479 20 0 BEADHM CO[C@@H](C(=O)Nc1ccccc1[O-])C1CCC1 ZINC000666921847 487906230 /nfs/dbraw/zinc/90/62/30/487906230.db2.gz FEVNBXGLBMAIBW-GFCCVEGCSA-N -1 3 235.283 2.146 20 0 BEADHM Cc1ccc(CN(CC(=O)[O-])CC2CC2)s1 ZINC000083405043 487907416 /nfs/dbraw/zinc/90/74/16/487907416.db2.gz XDEJLLKLFUGAHQ-UHFFFAOYSA-N -1 3 239.340 2.353 20 0 BEADHM Cc1ccoc1CN1CCC(C)(C(=O)[O-])CC1 ZINC000229551985 487925692 /nfs/dbraw/zinc/92/56/92/487925692.db2.gz MMHOCTWNVLSUMZ-UHFFFAOYSA-N -1 3 237.299 2.275 20 0 BEADHM CCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000083643621 487926104 /nfs/dbraw/zinc/92/61/04/487926104.db2.gz OVYRFQLLEYAZFZ-GFCCVEGCSA-N -1 3 219.284 2.080 20 0 BEADHM C[C@H]1CCC[C@H](N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000682396204 487946986 /nfs/dbraw/zinc/94/69/86/487946986.db2.gz RCLKFNHNEDBVEP-UWVGGRQHSA-N -1 3 245.330 2.107 20 0 BEADHM O=C(Nc1ncccc1[O-])[C@@H]1CC12CCCC2 ZINC000531105757 322976590 /nfs/dbraw/zinc/97/65/90/322976590.db2.gz MBSVMFKISBJWPI-VIFPVBQESA-N -1 3 232.283 2.306 20 0 BEADHM CC1(CC(=O)NCc2ncccc2[O-])CCCC1 ZINC000570319991 323056219 /nfs/dbraw/zinc/05/62/19/323056219.db2.gz PJYFHBVMTCTXKQ-UHFFFAOYSA-N -1 3 248.326 2.374 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)c1C ZINC000563409859 323124583 /nfs/dbraw/zinc/12/45/83/323124583.db2.gz XGWKLSWGDCYIJS-WDAIWFPHSA-N -1 3 247.342 2.077 20 0 BEADHM Cc1nnc(NC(=O)c2ccc(C)cc2[O-])s1 ZINC000041791729 323215194 /nfs/dbraw/zinc/21/51/94/323215194.db2.gz UCIAKHFSRXZZSY-UHFFFAOYSA-N -1 3 249.295 2.113 20 0 BEADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000528113658 323766772 /nfs/dbraw/zinc/76/67/72/323766772.db2.gz ITNDIRJSIDALCI-COMAGPEQSA-N -1 3 249.310 2.390 20 0 BEADHM CC(C)c1nocc1C(=O)Nc1ncccc1[O-] ZINC000529008007 324230870 /nfs/dbraw/zinc/23/08/70/324230870.db2.gz IWXBVBZFJZEPTH-UHFFFAOYSA-N -1 3 247.254 2.151 20 0 BEADHM CCn1cc(C(=O)Nc2cccc([O-])c2F)cn1 ZINC000129149500 324922448 /nfs/dbraw/zinc/92/24/48/324922448.db2.gz RDEVNSOTLBSMGC-UHFFFAOYSA-N -1 3 249.245 2.000 20 0 BEADHM Cc1ccc(NC(=O)c2ccc(F)cn2)c([O-])c1 ZINC000131420872 325148552 /nfs/dbraw/zinc/14/85/52/325148552.db2.gz IWZVRCRREKTZID-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM COc1ccc(C(=O)N[C@H]2CC[C@H](C)C2)c([O-])c1 ZINC000132937172 325254841 /nfs/dbraw/zinc/25/48/41/325254841.db2.gz WKYPRFSKEWQZOR-UWVGGRQHSA-N -1 3 249.310 2.319 20 0 BEADHM Cc1ccoc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000133073920 325264740 /nfs/dbraw/zinc/26/47/40/325264740.db2.gz IMWGQSPNLSUBGA-UHFFFAOYSA-N -1 3 249.241 2.363 20 0 BEADHM Cc1[nH]nc(NC(=O)c2cccc(C)c2[O-])c1C ZINC000134567443 325365247 /nfs/dbraw/zinc/36/52/47/325365247.db2.gz UTGOYJLOVNZWBQ-UHFFFAOYSA-N -1 3 245.282 2.293 20 0 BEADHM CO[C@@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000552781463 325665537 /nfs/dbraw/zinc/66/55/37/325665537.db2.gz GPLNHKXSQLTCOE-LURJTMIESA-N -1 3 229.663 2.019 20 0 BEADHM C[C@H](C1CC1)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000255040232 325789640 /nfs/dbraw/zinc/78/96/40/325789640.db2.gz CXZSBTOHORYPDB-XICOKMJESA-N -1 3 246.310 2.057 20 0 BEADHM CCc1ccc(C(=O)Nc2cnoc2)c([O-])c1 ZINC000682485855 487969849 /nfs/dbraw/zinc/96/98/49/487969849.db2.gz BCVAYPWGDXAMKY-UHFFFAOYSA-N -1 3 232.239 2.195 20 0 BEADHM CC(C)N(Cc1ccc(C(=O)[O-])o1)C1CC1 ZINC000567742465 326254096 /nfs/dbraw/zinc/25/40/96/326254096.db2.gz HOTQDYVSOAIWSG-UHFFFAOYSA-N -1 3 223.272 2.351 20 0 BEADHM CCc1coc([N-]C(=O)c2ccc(C(C)=O)o2)n1 ZINC000568174299 326320053 /nfs/dbraw/zinc/32/00/53/326320053.db2.gz UOMXPKBJXNIRDC-UHFFFAOYSA-N -1 3 248.238 2.285 20 0 BEADHM CC(C)C(C)(C)NC(=O)c1ccc(O)cc1[O-] ZINC000568906055 326381894 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BEADHM Cc1ccc(C)c(CC(=O)[N-]OCC(F)F)c1 ZINC000759351366 585371113 /nfs/dbraw/zinc/37/11/13/585371113.db2.gz LUDJMUODAKEUIQ-UHFFFAOYSA-N -1 3 243.253 2.159 20 0 BEADHM Cc1ccc(NC([O-])=NOCC(F)F)c(C)n1 ZINC000759987993 585383790 /nfs/dbraw/zinc/38/37/90/585383790.db2.gz XOWAMUUAMFNTQL-UHFFFAOYSA-N -1 3 245.229 2.017 20 0 BEADHM Cc1ccc(NC(=O)[N-]OCC(F)F)c(C)n1 ZINC000759987993 585383791 /nfs/dbraw/zinc/38/37/91/585383791.db2.gz XOWAMUUAMFNTQL-UHFFFAOYSA-N -1 3 245.229 2.017 20 0 BEADHM CCO[N-]C(=O)Cc1ccc(C)cc1Cl ZINC000761852163 585420278 /nfs/dbraw/zinc/42/02/78/585420278.db2.gz JURXAXKYCSLDLP-UHFFFAOYSA-N -1 3 227.691 2.259 20 0 BEADHM Cc1cc(=O)[n-]c(CN(C2CC2)C2CCCC2)n1 ZINC000761863827 585420858 /nfs/dbraw/zinc/42/08/58/585420858.db2.gz KWAODFGCEYQWMS-UHFFFAOYSA-N -1 3 247.342 2.398 20 0 BEADHM Cc1sc(Cl)nc1C(=O)[N-]c1ccon1 ZINC000762899355 585439176 /nfs/dbraw/zinc/43/91/76/585439176.db2.gz KXUQAPIBSHIPJC-UHFFFAOYSA-N -1 3 243.675 2.345 20 0 BEADHM COCC[C@@H](C)SCc1nc(C)cc(=O)[n-]1 ZINC000763212474 585444485 /nfs/dbraw/zinc/44/44/85/585444485.db2.gz MCYRARSHIOIAIO-SECBINFHSA-N -1 3 242.344 2.149 20 0 BEADHM COCC[C@H](C)SCc1nc(C)cc(=O)[n-]1 ZINC000763212478 585444568 /nfs/dbraw/zinc/44/45/68/585444568.db2.gz MCYRARSHIOIAIO-VIFPVBQESA-N -1 3 242.344 2.149 20 0 BEADHM Cc1ncsc1C=Cc1nccc(=O)[n-]1 ZINC000764434495 585465323 /nfs/dbraw/zinc/46/53/23/585465323.db2.gz JYMKSKQLBPQQCU-NSCUHMNNSA-N -1 3 219.269 2.118 20 0 BEADHM O=C([N-]OCC(F)(F)F)[C@H]1CC12CCCC2 ZINC000766766762 585508497 /nfs/dbraw/zinc/50/84/97/585508497.db2.gz DREAYYJADRRHRU-SSDOTTSWSA-N -1 3 237.221 2.177 20 0 BEADHM CNC(=S)N1CC[C@H](C)c2cccc([O-])c21 ZINC000767437114 585520074 /nfs/dbraw/zinc/52/00/74/585520074.db2.gz VGZGXGWYQHQBNB-QMMMGPOBSA-N -1 3 236.340 2.210 20 0 BEADHM CO[C@@H](C)COC(=O)c1cc2ccsc2[n-]1 ZINC000770689853 585579959 /nfs/dbraw/zinc/57/99/59/585579959.db2.gz BHPBRHPPZNRXII-ZETCQYMHSA-N -1 3 239.296 2.421 20 0 BEADHM CC1(C)CCC[C@H]1C(=O)[N-]C1=NCCS1 ZINC000771926655 585604723 /nfs/dbraw/zinc/60/47/23/585604723.db2.gz HIDRBRMKPQNPOD-QMMMGPOBSA-N -1 3 226.345 2.032 20 0 BEADHM C/C=C\COC(=O)c1c([O-])cccc1F ZINC000772579861 585618309 /nfs/dbraw/zinc/61/83/09/585618309.db2.gz SQAXDNJLJUNFRI-IHWYPQMZSA-N -1 3 210.204 2.264 20 0 BEADHM CC[C@H](C)OC(=O)c1c([O-])cccc1F ZINC000772582112 585618579 /nfs/dbraw/zinc/61/85/79/585618579.db2.gz VNQFRIJRVBMTKW-ZETCQYMHSA-N -1 3 212.220 2.487 20 0 BEADHM CC[C@@H](C)OC(=O)c1c([O-])cccc1F ZINC000772582110 585618640 /nfs/dbraw/zinc/61/86/40/585618640.db2.gz VNQFRIJRVBMTKW-SSDOTTSWSA-N -1 3 212.220 2.487 20 0 BEADHM O=C(OC/C=C\Cl)c1c([O-])cccc1F ZINC000772594500 585618699 /nfs/dbraw/zinc/61/86/99/585618699.db2.gz VCVIJSLHJBKMPO-DJWKRKHSSA-N -1 3 230.622 2.441 20 0 BEADHM CCC(C)(C)CC(=O)[N-]OC1CCOCC1 ZINC000772712722 585621820 /nfs/dbraw/zinc/62/18/20/585621820.db2.gz IENIRFADOLTLLW-UHFFFAOYSA-N -1 3 229.320 2.040 20 0 BEADHM C[C@H](CC(=O)[N-]OC1CCCC1)C1CC1 ZINC000774875307 585668238 /nfs/dbraw/zinc/66/82/38/585668238.db2.gz NMBFWVZREIINPI-SECBINFHSA-N -1 3 211.305 2.413 20 0 BEADHM CCO[C@H](CC(=O)[N-]OC1CCCC1)C(C)C ZINC000774874457 585668261 /nfs/dbraw/zinc/66/82/61/585668261.db2.gz FRTBCACTJPRIRL-GFCCVEGCSA-N -1 3 243.347 2.428 20 0 BEADHM CCc1ccc(COC(=O)c2n[n-]nc2C)cc1 ZINC000805547448 585680883 /nfs/dbraw/zinc/68/08/83/585680883.db2.gz ZOVFQTMPHWUQGZ-UHFFFAOYSA-N -1 3 245.282 2.033 20 0 BEADHM Cc1n[n-]nc1C(=O)O[C@@H](C)c1ccccc1F ZINC000805547259 585680915 /nfs/dbraw/zinc/68/09/15/585680915.db2.gz WZAKZUZTRTYMJB-QMMMGPOBSA-N -1 3 249.245 2.170 20 0 BEADHM Cc1n[n-]nc1C(=O)OC[C@H]1CCC[C@@H](C)C1 ZINC000805548112 585681270 /nfs/dbraw/zinc/68/12/70/585681270.db2.gz PTPZUPXEPNFUTC-SCZZXKLOSA-N -1 3 237.303 2.096 20 0 BEADHM O=C(CC1CCOCC1)[N-]OC1CCCCC1 ZINC000777959074 585724156 /nfs/dbraw/zinc/72/41/56/585724156.db2.gz SUJBKRILUQCXJG-UHFFFAOYSA-N -1 3 241.331 2.184 20 0 BEADHM O=C([N-]OC1CCCCC1)[C@H]1CCSC1 ZINC000777962969 585724364 /nfs/dbraw/zinc/72/43/64/585724364.db2.gz HHBGQPDFRPZLMC-VIFPVBQESA-N -1 3 229.345 2.120 20 0 BEADHM CC1(C)C[C@H]1C(=O)[N-]OC1CCCCC1 ZINC000777961099 585724603 /nfs/dbraw/zinc/72/46/03/585724603.db2.gz FSWUBGDCZGENNN-JTQLQIEISA-N -1 3 211.305 2.413 20 0 BEADHM CCCc1ccc(COC(=O)c2cnn[n-]2)cc1 ZINC000805605710 585732349 /nfs/dbraw/zinc/73/23/49/585732349.db2.gz MYQCGHJKYWKOAY-UHFFFAOYSA-N -1 3 245.282 2.114 20 0 BEADHM CCCc1ccc(COC(=O)c2c[n-]nn2)cc1 ZINC000805605710 585732350 /nfs/dbraw/zinc/73/23/50/585732350.db2.gz MYQCGHJKYWKOAY-UHFFFAOYSA-N -1 3 245.282 2.114 20 0 BEADHM Cc1ccccc1[C@H](C)OC(=O)c1cnn[n-]1 ZINC000805605996 585732717 /nfs/dbraw/zinc/73/27/17/585732717.db2.gz DJSIEIOKYLVIAX-VIFPVBQESA-N -1 3 231.255 2.031 20 0 BEADHM Cc1ccccc1[C@H](C)OC(=O)c1c[n-]nn1 ZINC000805605996 585732718 /nfs/dbraw/zinc/73/27/18/585732718.db2.gz DJSIEIOKYLVIAX-VIFPVBQESA-N -1 3 231.255 2.031 20 0 BEADHM Cc1cc(C(=O)O[C@H]2CCCCC2=O)ccc1[O-] ZINC000778856006 585741566 /nfs/dbraw/zinc/74/15/66/585741566.db2.gz MZFMJJBBSUYKLP-ZDUSSCGKSA-N -1 3 248.278 2.369 20 0 BEADHM Cc1cc(C(=O)OC[C@@H]2CCCO2)ccc1[O-] ZINC000778854737 585741593 /nfs/dbraw/zinc/74/15/93/585741593.db2.gz YYXJRNXBGRDHRW-NSHDSACASA-N -1 3 236.267 2.036 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCC=CO1 ZINC000778959952 585743117 /nfs/dbraw/zinc/74/31/17/585743117.db2.gz FXOUAOXHOBZFNL-NSHDSACASA-N -1 3 233.267 2.332 20 0 BEADHM Cc1ccc(CC(=O)[N-]OC2CCCCC2)cn1 ZINC000779322199 585751068 /nfs/dbraw/zinc/75/10/68/585751068.db2.gz KQDWPLLYXXISRN-UHFFFAOYSA-N -1 3 248.326 2.313 20 0 BEADHM CS/C=C\C(=O)[N-]OC1CCCCC1 ZINC000779322582 585751140 /nfs/dbraw/zinc/75/11/40/585751140.db2.gz RHCMFMHAJDXWDH-FPLPWBNLSA-N -1 3 215.318 2.244 20 0 BEADHM CCC[C@H](C)NC(=O)/C=C/c1cncc([O-])c1 ZINC000779651260 585758500 /nfs/dbraw/zinc/75/85/00/585758500.db2.gz HMEQZXSBFMWBCS-PORFMDCZSA-N -1 3 234.299 2.105 20 0 BEADHM CC[C@@H](CO)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000779825038 585767664 /nfs/dbraw/zinc/76/76/64/585767664.db2.gz PYSWRZGIYLEIIU-ZETCQYMHSA-N -1 3 243.690 2.003 20 0 BEADHM O=C([N-]C[C@H]1CCC[C@@H]1C1CC1)C(F)(F)F ZINC000839804520 585779088 /nfs/dbraw/zinc/77/90/88/585779088.db2.gz ABBNOGYGPIXBAP-RKDXNWHRSA-N -1 3 235.249 2.491 20 0 BEADHM CC/C(C)=C(/C)C(=O)[N-]O[C@H]1CCCCO1 ZINC000780917361 585786158 /nfs/dbraw/zinc/78/61/58/585786158.db2.gz RCZKCPXNJNEKDQ-JUDLJHIGSA-N -1 3 227.304 2.307 20 0 BEADHM CC/C(C)=C(\C)C(=O)[N-]OCc1cccnc1 ZINC000780991722 585788246 /nfs/dbraw/zinc/78/82/46/585788246.db2.gz KWOJHTKROWMKTG-ZHACJKMWSA-N -1 3 234.299 2.376 20 0 BEADHM CC1(C)CC[C@@H](C(=O)[N-]C2=NCCS2)C1 ZINC000781600300 585800190 /nfs/dbraw/zinc/80/01/90/585800190.db2.gz DZHTWBRAABZUDZ-MRVPVSSYSA-N -1 3 226.345 2.032 20 0 BEADHM CO[C@H](C)COC(=O)c1ccc(Cl)cc1[O-] ZINC000782281351 585813608 /nfs/dbraw/zinc/81/36/08/585813608.db2.gz HKAHICTUIFULRT-SSDOTTSWSA-N -1 3 244.674 2.237 20 0 BEADHM Cc1nc(F)ccc1C=Cc1nccc(=O)[n-]1 ZINC000782341450 585815675 /nfs/dbraw/zinc/81/56/75/585815675.db2.gz JXBXPYFMDQUECP-HYXAFXHYSA-N -1 3 231.230 2.195 20 0 BEADHM CCc1cnc(C=Cc2nccc(=O)[n-]2)s1 ZINC000783711317 585840965 /nfs/dbraw/zinc/84/09/65/585840965.db2.gz XEVCDKRFXIDOCJ-ONEGZZNKSA-N -1 3 233.296 2.372 20 0 BEADHM CC(C)[C@@H](F)C(=O)Nc1cc(F)ccc1[O-] ZINC000784454601 585860284 /nfs/dbraw/zinc/86/02/84/585860284.db2.gz FMXWZZFPWFQPDD-SNVBAGLBSA-N -1 3 229.226 2.464 20 0 BEADHM Cc1cc(C(=O)OCC(=O)CC2CC2)ccc1[O-] ZINC000784588062 585864025 /nfs/dbraw/zinc/86/40/25/585864025.db2.gz ZMTGWBMEHAJEIA-UHFFFAOYSA-N -1 3 248.278 2.227 20 0 BEADHM Cc1noc([N-]C(=O)[C@H](F)C(C)C)c1C ZINC000784782339 585866138 /nfs/dbraw/zinc/86/61/38/585866138.db2.gz CPGRUCZDJDUOHF-MRVPVSSYSA-N -1 3 214.240 2.224 20 0 BEADHM CCCC(C)(C)CC(=O)[N-]OC1CCOCC1 ZINC000785290488 585872268 /nfs/dbraw/zinc/87/22/68/585872268.db2.gz WUULLEQWQMQWFA-UHFFFAOYSA-N -1 3 243.347 2.430 20 0 BEADHM O=C(OCC(F)F)c1cc([O-])ccc1Cl ZINC000785871410 585882256 /nfs/dbraw/zinc/88/22/56/585882256.db2.gz ALKUPIPHZDVZHV-UHFFFAOYSA-N -1 3 236.601 2.468 20 0 BEADHM C[C@H]1CC[C@H](COC(=O)c2cc3occc3[n-]2)O1 ZINC000786029857 585885403 /nfs/dbraw/zinc/88/54/03/585885403.db2.gz QYSAETVSCMVSMD-DTWKUNHWSA-N -1 3 249.266 2.485 20 0 BEADHM O=C(COC(=O)c1cc2occc2[n-]1)CC1CC1 ZINC000786033976 585885664 /nfs/dbraw/zinc/88/56/64/585885664.db2.gz VUHWQTJSJCFPDF-UHFFFAOYSA-N -1 3 247.250 2.287 20 0 BEADHM Cc1cc(COC(=O)c2cc3occc3[n-]2)on1 ZINC000786029586 585885750 /nfs/dbraw/zinc/88/57/50/585885750.db2.gz HIILKUHLXUZJRN-UHFFFAOYSA-N -1 3 246.222 2.414 20 0 BEADHM O=C([N-][C@H]1C[C@@H]1c1c(F)cccc1F)C(F)F ZINC000787374039 585907870 /nfs/dbraw/zinc/90/78/70/585907870.db2.gz OGZJTIDSPZMMCX-XNCJUZBTSA-N -1 3 247.191 2.202 20 0 BEADHM COc1cccc(F)c1[C@H](C)[N-]C(=O)C(F)F ZINC000787396782 585908852 /nfs/dbraw/zinc/90/88/52/585908852.db2.gz SDJUVDCUCBNGST-LURJTMIESA-N -1 3 247.216 2.277 20 0 BEADHM O=C(OCC[C@H]1CCCO1)c1ccc([O-])cc1 ZINC000787567361 585911875 /nfs/dbraw/zinc/91/18/75/585911875.db2.gz KJEIOIQUVKZOIB-GFCCVEGCSA-N -1 3 236.267 2.118 20 0 BEADHM CC(C)(O)CO[N-]C(=O)CC1CCCCCC1 ZINC000788220072 585919637 /nfs/dbraw/zinc/91/96/37/585919637.db2.gz NAPODWGABUKPRU-UHFFFAOYSA-N -1 3 243.347 2.166 20 0 BEADHM CCC(CC)(CC)C(=O)[N-]OC[C@@H]1CCOC1 ZINC000788270739 585920323 /nfs/dbraw/zinc/92/03/23/585920323.db2.gz KFZPUOJOKCKPJF-LLVKDONJSA-N -1 3 243.347 2.287 20 0 BEADHM CC(=O)CC(C)(C)CC(=O)[N-]OCC(C)C ZINC000788522286 585926254 /nfs/dbraw/zinc/92/62/54/585926254.db2.gz XDDLWKGHHLDTLF-UHFFFAOYSA-N -1 3 229.320 2.086 20 0 BEADHM CCN(C(=O)c1n[n-]nc1C)c1ccc(C)cc1 ZINC000789893925 585952452 /nfs/dbraw/zinc/95/24/52/585952452.db2.gz TVJLSOPVQOTXOG-UHFFFAOYSA-N -1 3 244.298 2.088 20 0 BEADHM C=C/C(C)=C/CC(=O)[N-]OCc1cccnc1 ZINC000789995540 585955803 /nfs/dbraw/zinc/95/58/03/585955803.db2.gz ZYIAYGYPAPBPQI-IZZDOVSWSA-N -1 3 232.283 2.152 20 0 BEADHM CCO[N-]C(=O)C12CC(c3ccccc3)(C1)C2 ZINC000790252659 585962025 /nfs/dbraw/zinc/96/20/25/585962025.db2.gz FRDXUFBHSPJQDQ-UHFFFAOYSA-N -1 3 231.295 2.176 20 0 BEADHM O=C(Oc1ccc(F)cc1)c1csc(=O)[n-]1 ZINC000792031484 585994200 /nfs/dbraw/zinc/99/42/00/585994200.db2.gz RMXBIYTVRBDNIP-UHFFFAOYSA-N -1 3 239.227 2.207 20 0 BEADHM CC[C@@H]1CCCC[C@@H]1C(=O)[N-]C1=NCCS1 ZINC000792857353 586005935 /nfs/dbraw/zinc/00/59/35/586005935.db2.gz YOKPZOOELATYDZ-ZJUUUORDSA-N -1 3 240.372 2.422 20 0 BEADHM CO[C@H]1CCC[C@@H](CC(=O)[N-]OCC(C)C)C1 ZINC000793729984 586025464 /nfs/dbraw/zinc/02/54/64/586025464.db2.gz OQFNTXHTLODXQJ-NEPJUHHUSA-N -1 3 243.347 2.286 20 0 BEADHM O=C(CCC(F)F)[N-]OC1CCCC1 ZINC000793773646 586026338 /nfs/dbraw/zinc/02/63/38/586026338.db2.gz UPRRTESLWIJTQW-UHFFFAOYSA-N -1 3 207.220 2.022 20 0 BEADHM CCC[C@](C)(CC)C(=O)[N-]OC[C@H]1CCOC1 ZINC000793939329 586028970 /nfs/dbraw/zinc/02/89/70/586028970.db2.gz PLTTXNNGLZXUEA-AAEUAGOBSA-N -1 3 243.347 2.287 20 0 BEADHM CSCCO[N-]C(=O)C(C)(C)C(C)C ZINC000794188061 586034554 /nfs/dbraw/zinc/03/45/54/586034554.db2.gz OEBMFIFACZRYJJ-UHFFFAOYSA-N -1 3 219.350 2.079 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)C[C@H]1CCCCO1 ZINC000794863996 586051982 /nfs/dbraw/zinc/05/19/82/586051982.db2.gz KAIWKEUKKSBYDD-GHMZBOCLSA-N -1 3 229.320 2.040 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)C[C@H]1CCCCO1 ZINC000794864004 586052190 /nfs/dbraw/zinc/05/21/90/586052190.db2.gz KAIWKEUKKSBYDD-WDEREUQCSA-N -1 3 229.320 2.040 20 0 BEADHM CCO[N-]C(=O)Cc1coc2ccccc12 ZINC000794964119 586058243 /nfs/dbraw/zinc/05/82/43/586058243.db2.gz FYEAESACJKYGSI-UHFFFAOYSA-N -1 3 219.240 2.043 20 0 BEADHM CCO[N-]C(=O)[C@H](C)Cn1ccc2ccccc21 ZINC000794964096 586058336 /nfs/dbraw/zinc/05/83/36/586058336.db2.gz DJCNGOVLBCZRGH-LLVKDONJSA-N -1 3 246.310 2.345 20 0 BEADHM CCO[N-]C(=O)[C@@H](C)Cn1ccc2ccccc21 ZINC000794964098 586058495 /nfs/dbraw/zinc/05/84/95/586058495.db2.gz DJCNGOVLBCZRGH-NSHDSACASA-N -1 3 246.310 2.345 20 0 BEADHM C/C(=C\C(C)(C)C)C(=O)[N-]OCCOC(C)C ZINC000795090819 586068468 /nfs/dbraw/zinc/06/84/68/586068468.db2.gz OOOHFXUJHBAHSV-PKNBQFBNSA-N -1 3 243.347 2.452 20 0 BEADHM CC[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000795425825 586078387 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235.287 2.243 20 0 BEADHM Cc1c(N)cccc1NC(=O)[N-]OCCC1CC1 ZINC000859725081 589057381 /nfs/dbraw/zinc/05/73/81/589057381.db2.gz QXLNCQSNJXSXGZ-UHFFFAOYSA-N -1 3 249.314 2.430 20 0 BEADHM C[C@@H]1CCC[C@H](CC(=O)[N-]OCC(C)(C)O)C1 ZINC000816383472 586723084 /nfs/dbraw/zinc/72/30/84/586723084.db2.gz RUPYXMIHXVGIHT-MNOVXSKESA-N -1 3 243.347 2.022 20 0 BEADHM CSCCCC(=O)[N-]Oc1ccccc1 ZINC000816684180 586755943 /nfs/dbraw/zinc/75/59/43/586755943.db2.gz PWVUFAXIECNLNP-UHFFFAOYSA-N -1 3 225.313 2.240 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)CC1(O)CCCCC1 ZINC000816978448 586774209 /nfs/dbraw/zinc/77/42/09/586774209.db2.gz UJWAIXJZJOCIQI-LLVKDONJSA-N -1 3 243.347 2.166 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)CC1(O)CCCCC1 ZINC000816978449 586774445 /nfs/dbraw/zinc/77/44/45/586774445.db2.gz UJWAIXJZJOCIQI-NSHDSACASA-N -1 3 243.347 2.166 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)C[C@H](O)CC(C)(C)C ZINC000816978806 586774686 /nfs/dbraw/zinc/77/46/86/586774686.db2.gz BOKYMEWIMANRRI-QWRGUYRKSA-N -1 3 245.363 2.268 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)C[C@H]1CCCC[C@@H]1O ZINC000816975296 586775834 /nfs/dbraw/zinc/77/58/34/586775834.db2.gz FJRNTYNPUMLALT-TUAOUCFPSA-N -1 3 243.347 2.022 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)CC[C@H]1CCCO1 ZINC000816976414 586776085 /nfs/dbraw/zinc/77/60/85/586776085.db2.gz CHJNCCHKAVCXMB-GHMZBOCLSA-N -1 3 229.320 2.040 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)C[C@H]1CCC(=O)[C@@H]1C ZINC000816976599 586776559 /nfs/dbraw/zinc/77/65/59/586776559.db2.gz GVJHXEZMRCZMKI-HBNTYKKESA-N -1 3 241.331 2.086 20 0 BEADHM CC[C@H](C)CC[C@H](O)CC(=O)[N-]OCC1CC1 ZINC000817344322 586797726 /nfs/dbraw/zinc/79/77/26/586797726.db2.gz BADUCVGWMSSJKN-JQWIXIFHSA-N -1 3 243.347 2.022 20 0 BEADHM C[C@H]1CC[C@H](CC(=O)[N-]OCC2CC2)C1 ZINC000817344401 586797947 /nfs/dbraw/zinc/79/79/47/586797947.db2.gz DPIZUZPKBZJYOE-ONGXEEELSA-N -1 3 211.305 2.271 20 0 BEADHM C[C@@H]1[C@H](C(=O)[N-]OCC2CC2)[C@H]1c1ccccc1 ZINC000817349734 586798274 /nfs/dbraw/zinc/79/82/74/586798274.db2.gz GIUXZINJASYALG-GDLCADMTSA-N -1 3 245.322 2.494 20 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/nfs/dbraw/zinc/92/56/70/586925670.db2.gz SSRSSIUEFLBDBR-DTWKUNHWSA-N -1 3 226.345 2.032 20 0 BEADHM O=C([O-])C1(NC/C(Cl)=C\Cl)CCCC1 ZINC000819225015 586940419 /nfs/dbraw/zinc/94/04/19/586940419.db2.gz DBOZQHNYEDQLKP-FNORWQNLSA-N -1 3 238.114 2.292 20 0 BEADHM CSCCCCC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819773721 586991560 /nfs/dbraw/zinc/99/15/60/586991560.db2.gz MOJWEOYBQOELST-QMMMGPOBSA-N -1 3 246.401 2.127 20 0 BEADHM CCCC[C@H](C)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819777134 586992125 /nfs/dbraw/zinc/99/21/25/586992125.db2.gz HRTIMDYYWPYXCW-DTWKUNHWSA-N -1 3 228.361 2.420 20 0 BEADHM CCCC[C@H](C)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819777137 586992223 /nfs/dbraw/zinc/99/22/23/586992223.db2.gz HRTIMDYYWPYXCW-IUCAKERBSA-N -1 3 228.361 2.420 20 0 BEADHM CC[C@H](N[C@H](C)CC(=O)[O-])c1c(C)noc1C ZINC000820285327 587040690 /nfs/dbraw/zinc/04/06/90/587040690.db2.gz ZDLVMTBRWXNAJY-XCBNKYQSSA-N -1 3 240.303 2.195 20 0 BEADHM O=C(C[C@@H]1CC=CCC1)[N-]OCC1CC1 ZINC000820478033 587050778 /nfs/dbraw/zinc/05/07/78/587050778.db2.gz COWVTCIZMJRYMW-SNVBAGLBSA-N -1 3 209.289 2.191 20 0 BEADHM CC1(C(=O)[N-]OCCC2CC2)CC=CC1 ZINC000820484866 587051227 /nfs/dbraw/zinc/05/12/27/587051227.db2.gz PNRQYTFPMFTNQE-UHFFFAOYSA-N -1 3 209.289 2.191 20 0 BEADHM CCc1nc([C@H](C)N[C@H](C)CC(=O)[O-])cs1 ZINC000820492783 587051310 /nfs/dbraw/zinc/05/13/10/587051310.db2.gz QRUPIQRPYQLERM-SFYZADRCSA-N -1 3 242.344 2.219 20 0 BEADHM C[C@@H]1CC[C@H](C)N1c1ccc(-c2nnn[n-]2)cc1 ZINC000820686537 587066383 /nfs/dbraw/zinc/06/63/83/587066383.db2.gz YDJYBVQEYIDECA-AOOOYVTPSA-N -1 3 243.314 2.244 20 0 BEADHM C[C@@H]1CC[C@H](C)N1c1ccc(-c2nn[n-]n2)cc1 ZINC000820686537 587066384 /nfs/dbraw/zinc/06/63/84/587066384.db2.gz YDJYBVQEYIDECA-AOOOYVTPSA-N -1 3 243.314 2.244 20 0 BEADHM Cc1ccc2c(c1C)OC[C@@H]2N[C@H](C)CC(=O)[O-] ZINC000821103888 587095992 /nfs/dbraw/zinc/09/59/92/587095992.db2.gz TUUWWNOVSMRLEV-SKDRFNHKSA-N -1 3 249.310 2.190 20 0 BEADHM COc1ccc(CC(=O)[N-]OC2CCC2)c(C)c1 ZINC000821221807 587102532 /nfs/dbraw/zinc/10/25/32/587102532.db2.gz MJCRMEZZHQHNLO-UHFFFAOYSA-N -1 3 249.310 2.146 20 0 BEADHM CCSCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821460779 587121273 /nfs/dbraw/zinc/12/12/73/587121273.db2.gz CKYOHACJGGFUHN-UHFFFAOYSA-N -1 3 238.291 2.259 20 0 BEADHM CCSCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821460779 587121274 /nfs/dbraw/zinc/12/12/74/587121274.db2.gz CKYOHACJGGFUHN-UHFFFAOYSA-N -1 3 238.291 2.259 20 0 BEADHM O=C([O-])[C@@H]1CCN(C/C=C/c2ccc(F)cc2)C1 ZINC000821511251 587124231 /nfs/dbraw/zinc/12/42/31/587124231.db2.gz DWGSLKTXQANDFE-YYRQZUAOSA-N -1 3 249.285 2.245 20 0 BEADHM O=C([O-])CNC1(c2ccc(F)cc2F)CCC1 ZINC000821534827 587127224 /nfs/dbraw/zinc/12/72/24/587127224.db2.gz BBLBBHDHQVKCTO-UHFFFAOYSA-N -1 3 241.237 2.018 20 0 BEADHM CC[C@@H]1CCC[C@H]1C(=O)[N-]C1=NCCS1 ZINC000822234393 587158377 /nfs/dbraw/zinc/15/83/77/587158377.db2.gz RNZOIPGZCGQFJB-RKDXNWHRSA-N -1 3 226.345 2.032 20 0 BEADHM CCC[C@@H]1CCC[C@@H]1C(=O)[N-]C1=NCCS1 ZINC000822234365 587158925 /nfs/dbraw/zinc/15/89/25/587158925.db2.gz PVQPDHMFTCYTAN-ZJUUUORDSA-N -1 3 240.372 2.422 20 0 BEADHM C[C@H]1CCC[C@@]1(C)C(=O)[N-]C1=NCCS1 ZINC000822234475 587159114 /nfs/dbraw/zinc/15/91/14/587159114.db2.gz VSVBKUDAUSDUMV-GZMMTYOYSA-N -1 3 226.345 2.032 20 0 BEADHM [O-]C(=NOCC1CCC1)Nc1ccc(F)cn1 ZINC000822502902 587172083 /nfs/dbraw/zinc/17/20/83/587172083.db2.gz LDFVHGCMGMHUAX-UHFFFAOYSA-N -1 3 239.250 2.074 20 0 BEADHM O=C([N-]OCC1CCC1)Nc1ccc(F)cn1 ZINC000822502902 587172084 /nfs/dbraw/zinc/17/20/84/587172084.db2.gz LDFVHGCMGMHUAX-UHFFFAOYSA-N -1 3 239.250 2.074 20 0 BEADHM CCCCC[C@@H](O)C(=O)Nc1ccccc1[O-] ZINC000822673336 587180472 /nfs/dbraw/zinc/18/04/72/587180472.db2.gz PKYUEUQTVLZHDC-GFCCVEGCSA-N -1 3 237.299 2.272 20 0 BEADHM Fc1cc(-c2nnn[n-]2)ccc1OCC1CCC1 ZINC000822748154 587183575 /nfs/dbraw/zinc/18/35/75/587183575.db2.gz KMVBTVQHQRMABY-UHFFFAOYSA-N -1 3 248.261 2.185 20 0 BEADHM Fc1cc(-c2nn[n-]n2)ccc1OCC1CCC1 ZINC000822748154 587183576 /nfs/dbraw/zinc/18/35/76/587183576.db2.gz KMVBTVQHQRMABY-UHFFFAOYSA-N -1 3 248.261 2.185 20 0 BEADHM CSC(C)(C)C(=O)Nc1ccccc1[O-] ZINC000823044860 587199138 /nfs/dbraw/zinc/19/91/38/587199138.db2.gz MAXOTLZLBRQCDA-UHFFFAOYSA-N -1 3 225.313 2.472 20 0 BEADHM CCC(F)(F)C(=O)Nc1ccccc1[O-] ZINC000823045492 587199561 /nfs/dbraw/zinc/19/95/61/587199561.db2.gz XRSITFAFFWUUFE-UHFFFAOYSA-N -1 3 215.199 2.376 20 0 BEADHM CCc1n[n-]c(Cl)c1C(=O)OC[C@@H]1C[C@H]1C ZINC000860221172 589090182 /nfs/dbraw/zinc/09/01/82/589090182.db2.gz FEZSTROKNFEHAT-RQJHMYQMSA-N -1 3 242.706 2.438 20 0 BEADHM CCc1[n-]nc(Cl)c1C(=O)OC[C@@H]1C[C@H]1C ZINC000860221172 589090184 /nfs/dbraw/zinc/09/01/84/589090184.db2.gz FEZSTROKNFEHAT-RQJHMYQMSA-N -1 3 242.706 2.438 20 0 BEADHM CC(C)O[N-]C(=O)Cc1ccc2cccnc2c1 ZINC000823301714 587214673 /nfs/dbraw/zinc/21/46/73/587214673.db2.gz HQQLHFBLHWNUQT-UHFFFAOYSA-N -1 3 244.294 2.234 20 0 BEADHM c1cc(SCC2CCC2)ncc1-c1nnn[n-]1 ZINC000823761964 587239556 /nfs/dbraw/zinc/23/95/56/587239556.db2.gz CAAHDIQLWDOYNN-UHFFFAOYSA-N -1 3 247.327 2.154 20 0 BEADHM c1cc(SCC2CCC2)ncc1-c1nn[n-]n1 ZINC000823761964 587239558 /nfs/dbraw/zinc/23/95/58/587239558.db2.gz CAAHDIQLWDOYNN-UHFFFAOYSA-N -1 3 247.327 2.154 20 0 BEADHM CC(C)=CCN1CCC[C@H]1CN(C)C(=O)[O-] ZINC000824038677 587250836 /nfs/dbraw/zinc/25/08/36/587250836.db2.gz IVBRIRNKIAAUBO-NSHDSACASA-N -1 3 226.320 2.027 20 0 BEADHM CC[C@@H](C)[C@H](C)Nc1cnccc1-c1nnn[n-]1 ZINC000825059725 587301595 /nfs/dbraw/zinc/30/15/95/587301595.db2.gz JKXUMKHIYCMMBD-BDAKNGLRSA-N -1 3 246.318 2.108 20 0 BEADHM CC[C@@H](C)[C@H](C)Nc1cnccc1-c1nn[n-]n1 ZINC000825059725 587301597 /nfs/dbraw/zinc/30/15/97/587301597.db2.gz JKXUMKHIYCMMBD-BDAKNGLRSA-N -1 3 246.318 2.108 20 0 BEADHM CC[C@H](C)[C@H](C)Nc1cnccc1-c1nnn[n-]1 ZINC000825059727 587301845 /nfs/dbraw/zinc/30/18/45/587301845.db2.gz JKXUMKHIYCMMBD-IUCAKERBSA-N -1 3 246.318 2.108 20 0 BEADHM CC[C@H](C)[C@H](C)Nc1cnccc1-c1nn[n-]n1 ZINC000825059727 587301846 /nfs/dbraw/zinc/30/18/46/587301846.db2.gz JKXUMKHIYCMMBD-IUCAKERBSA-N -1 3 246.318 2.108 20 0 BEADHM CC(C)CO[N-]C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000860345539 589095103 /nfs/dbraw/zinc/09/51/03/589095103.db2.gz LFRFLEYCRYTDDQ-BFHYXJOUSA-N -1 3 245.322 2.276 20 0 BEADHM CC(C)CO[N-]C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000860345542 589095374 /nfs/dbraw/zinc/09/53/74/589095374.db2.gz LFRFLEYCRYTDDQ-HZSPNIEDSA-N -1 3 245.322 2.276 20 0 BEADHM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccoc1 ZINC000825479743 587321184 /nfs/dbraw/zinc/32/11/84/587321184.db2.gz QEPFWXSUHQLSNG-GXSJLCMTSA-N -1 3 238.287 2.073 20 0 BEADHM C[C@H](NC[C@@H]1CCCN1C(=O)[O-])c1ccoc1 ZINC000825490611 587321405 /nfs/dbraw/zinc/32/14/05/587321405.db2.gz MZGGOYKHHZTHPR-ONGXEEELSA-N -1 3 238.287 2.073 20 0 BEADHM C[C@H](NCCN(C)C(=O)[O-])c1cccs1 ZINC000825495610 587321671 /nfs/dbraw/zinc/32/16/71/587321671.db2.gz HQBVNWHIYPQJKL-QMMMGPOBSA-N -1 3 228.317 2.009 20 0 BEADHM C[C@@H](NCCN(C)C(=O)[O-])c1ccccc1F ZINC000825495266 587321679 /nfs/dbraw/zinc/32/16/79/587321679.db2.gz CSFFJTHBPKBXBV-SECBINFHSA-N -1 3 240.278 2.086 20 0 BEADHM C/C(=C/CN1CC[C@H](c2ccco2)C1)C(=O)[O-] ZINC000825736190 587335603 /nfs/dbraw/zinc/33/56/03/587335603.db2.gz WDGQJJDZAAGCTC-FGUAACIASA-N -1 3 235.283 2.100 20 0 BEADHM C/C(=C/CNC1(c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000825746659 587336344 /nfs/dbraw/zinc/33/63/44/587336344.db2.gz JDDJJJYINSXZDG-POHAHGRESA-N -1 3 249.285 2.435 20 0 BEADHM C[C@H]1[C@@H](c2ccccc2)CCN1CCNC(=O)[O-] ZINC000825778421 587338765 /nfs/dbraw/zinc/33/87/65/587338765.db2.gz MYDVSMWBTOUQLO-AAEUAGOBSA-N -1 3 248.326 2.132 20 0 BEADHM CC(C)(CC(=O)[O-])NC/C(Cl)=C\Cl ZINC000826538299 587354294 /nfs/dbraw/zinc/35/42/94/587354294.db2.gz OJXMJSVUKDNJCN-GQCTYLIASA-N -1 3 226.103 2.148 20 0 BEADHM CCC(CC)(CNCc1ccoc1)NC(=O)[O-] ZINC000826560848 587354825 /nfs/dbraw/zinc/35/48/25/587354825.db2.gz AGBUZQPLZJLHMH-UHFFFAOYSA-N -1 3 240.303 2.196 20 0 BEADHM CCN(CCN[C@H](C)c1ccccc1)C(=O)[O-] ZINC000827150167 587371322 /nfs/dbraw/zinc/37/13/22/587371322.db2.gz AKCJDIBDOUGCBS-LLVKDONJSA-N -1 3 236.315 2.337 20 0 BEADHM CC(C)CO[N-]C(=O)CC1CC(F)(F)C1 ZINC000827213520 587373029 /nfs/dbraw/zinc/37/30/29/587373029.db2.gz RDTNKHGGPMDOQS-UHFFFAOYSA-N -1 3 221.247 2.126 20 0 BEADHM CCc1ccc([C@H](C)NCCNC(=O)[O-])s1 ZINC000827577720 587389918 /nfs/dbraw/zinc/38/99/18/587389918.db2.gz QOIPWRQKZXLQHV-QMMMGPOBSA-N -1 3 242.344 2.229 20 0 BEADHM CCc1ccc([C@@H](C)NCCCNC(=O)[O-])o1 ZINC000827576453 587389962 /nfs/dbraw/zinc/38/99/62/587389962.db2.gz DLEDGOIZNAKWCI-SECBINFHSA-N -1 3 240.303 2.150 20 0 BEADHM CCc1ccccc1CN[C@H]1CCN(C(=O)[O-])C1 ZINC000827601608 587391938 /nfs/dbraw/zinc/39/19/38/587391938.db2.gz YSKVDBXGIWICSF-ZDUSSCGKSA-N -1 3 248.326 2.091 20 0 BEADHM O=C([N-]OC1CCCC1)[C@@H]1C[C@H]1C(F)(F)F ZINC000827834390 587404968 /nfs/dbraw/zinc/40/49/68/587404968.db2.gz JDVURCPKIKTNEI-HTQZYQBOSA-N -1 3 237.221 2.175 20 0 BEADHM CCCON=C([O-])Nc1ccc(F)cc1F ZINC000828222336 587425425 /nfs/dbraw/zinc/42/54/25/587425425.db2.gz WVNILMOYPPWLEY-UHFFFAOYSA-N -1 3 230.214 2.428 20 0 BEADHM CCCO[N-]C(=O)Nc1ccc(F)cc1F ZINC000828222336 587425426 /nfs/dbraw/zinc/42/54/26/587425426.db2.gz WVNILMOYPPWLEY-UHFFFAOYSA-N -1 3 230.214 2.428 20 0 BEADHM CCCON=C([O-])N1c2ccccc2C[C@H]1C ZINC000828222131 587425511 /nfs/dbraw/zinc/42/55/11/587425511.db2.gz NHWVMNDNLMBJLL-SNVBAGLBSA-N -1 3 234.299 2.489 20 0 BEADHM CCCO[N-]C(=O)N1c2ccccc2C[C@H]1C ZINC000828222131 587425513 /nfs/dbraw/zinc/42/55/13/587425513.db2.gz NHWVMNDNLMBJLL-SNVBAGLBSA-N -1 3 234.299 2.489 20 0 BEADHM CCCON=C([O-])N1CCc2cccc(F)c21 ZINC000828296744 587432416 /nfs/dbraw/zinc/43/24/16/587432416.db2.gz LBWQUUIPHGWQTC-UHFFFAOYSA-N -1 3 238.262 2.239 20 0 BEADHM CCCO[N-]C(=O)N1CCc2cccc(F)c21 ZINC000828296744 587432417 /nfs/dbraw/zinc/43/24/17/587432417.db2.gz LBWQUUIPHGWQTC-UHFFFAOYSA-N -1 3 238.262 2.239 20 0 BEADHM CN(CCNCc1ccccc1C1CC1)C(=O)[O-] ZINC000828332914 587436113 /nfs/dbraw/zinc/43/61/13/587436113.db2.gz YKKABRHIFLQGJL-UHFFFAOYSA-N -1 3 248.326 2.263 20 0 BEADHM CC[C@H](CC(F)(F)F)C(=O)[N-]OCC(F)F ZINC000828461459 587443947 /nfs/dbraw/zinc/44/39/47/587443947.db2.gz XPIHYFXOYZZCGM-RXMQYKEDSA-N -1 3 249.179 2.278 20 0 BEADHM CC(C(=O)Nc1ncccc1[O-])=C1CCC1 ZINC000829005769 587478797 /nfs/dbraw/zinc/47/87/97/587478797.db2.gz GXQZGHZULXTSIB-UHFFFAOYSA-N -1 3 218.256 2.226 20 0 BEADHM CCc1cnc(C[N-]C(=O)C(F)(F)CC)s1 ZINC000829026430 587479839 /nfs/dbraw/zinc/47/98/39/587479839.db2.gz KHBDOLMZWFEAJG-UHFFFAOYSA-N -1 3 248.298 2.367 20 0 BEADHM CCN(CCC(=O)[O-])Cc1cccc(Cl)n1 ZINC000829701563 587510207 /nfs/dbraw/zinc/51/02/07/587510207.db2.gz GLWMASUJLKDDRD-UHFFFAOYSA-N -1 3 242.706 2.032 20 0 BEADHM Cc1cc([C@@H](C)NCCNC(=O)[O-])ccc1F ZINC000829980906 587530821 /nfs/dbraw/zinc/53/08/21/587530821.db2.gz SAYONQTVVXNLDQ-SECBINFHSA-N -1 3 240.278 2.052 20 0 BEADHM Cc1ccc([C@@H](C)NCC(C)(C)NC(=O)[O-])o1 ZINC000830257681 587544410 /nfs/dbraw/zinc/54/44/10/587544410.db2.gz WXVCUBFXWKMPST-SECBINFHSA-N -1 3 240.303 2.285 20 0 BEADHM Cc1ccc2c(c1)CC[C@@H]2NCCN(C)C(=O)[O-] ZINC000830446380 587551851 /nfs/dbraw/zinc/55/18/51/587551851.db2.gz NWXQPJWGEYPOEQ-ZDUSSCGKSA-N -1 3 248.326 2.182 20 0 BEADHM Cc1ccc2c(c1)[C@H](NCCN(C)C(=O)[O-])CC2 ZINC000830447027 587551922 /nfs/dbraw/zinc/55/19/22/587551922.db2.gz ZEFFTYLARRYGMT-CYBMUJFWSA-N -1 3 248.326 2.182 20 0 BEADHM CCC(F)(F)C(=O)NCc1ccc([O-])c(F)c1 ZINC000830547934 587557675 /nfs/dbraw/zinc/55/76/75/587557675.db2.gz CBHNWLGXKXMRPO-UHFFFAOYSA-N -1 3 247.216 2.193 20 0 BEADHM CCCON=C([O-])Nc1cc(OC)ccc1F ZINC000831546135 587618207 /nfs/dbraw/zinc/61/82/07/587618207.db2.gz MBXQJGFMZXYTSL-UHFFFAOYSA-N -1 3 242.250 2.297 20 0 BEADHM CCCO[N-]C(=O)Nc1cc(OC)ccc1F ZINC000831546135 587618209 /nfs/dbraw/zinc/61/82/09/587618209.db2.gz MBXQJGFMZXYTSL-UHFFFAOYSA-N -1 3 242.250 2.297 20 0 BEADHM CSCCO[N-]C(=O)[C@]1(C)CC=CCC1 ZINC000831583479 587621620 /nfs/dbraw/zinc/62/16/20/587621620.db2.gz ZHTOUYCICDRDQG-LLVKDONJSA-N -1 3 229.345 2.144 20 0 BEADHM CCCO[N-]C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000831616841 587624373 /nfs/dbraw/zinc/62/43/73/587624373.db2.gz SMRDGRMZQFRGOR-UHFFFAOYSA-N -1 3 249.314 2.142 20 0 BEADHM CCCON=C([O-])Nc1cccc(OC)c1F ZINC000831682597 587627426 /nfs/dbraw/zinc/62/74/26/587627426.db2.gz CHPDRNYOFUHTLV-UHFFFAOYSA-N -1 3 242.250 2.297 20 0 BEADHM CCCO[N-]C(=O)Nc1cccc(OC)c1F ZINC000831682597 587627428 /nfs/dbraw/zinc/62/74/28/587627428.db2.gz CHPDRNYOFUHTLV-UHFFFAOYSA-N -1 3 242.250 2.297 20 0 BEADHM C[C@@H](CC(=O)[N-]OC1CCCC1)[C@H]1CCCO1 ZINC000831707179 587628322 /nfs/dbraw/zinc/62/83/22/587628322.db2.gz YELWSPNGSAMPBR-CMPLNLGQSA-N -1 3 241.331 2.182 20 0 BEADHM CCCON=C([O-])Nc1cn(C)nc1C(C)C ZINC000831769799 587631509 /nfs/dbraw/zinc/63/15/09/587631509.db2.gz XMZMTEDHIMTLOF-UHFFFAOYSA-N -1 3 240.307 2.007 20 0 BEADHM CCCO[N-]C(=O)Nc1cn(C)nc1C(C)C ZINC000831769799 587631511 /nfs/dbraw/zinc/63/15/11/587631511.db2.gz XMZMTEDHIMTLOF-UHFFFAOYSA-N -1 3 240.307 2.007 20 0 BEADHM O=C([O-])N1CC[C@@H](N[C@H]2CCc3ccccc32)C1 ZINC000831953916 587638355 /nfs/dbraw/zinc/63/83/55/587638355.db2.gz VMFNBUNSALUWFT-YPMHNXCESA-N -1 3 246.310 2.016 20 0 BEADHM O=C([O-])NCCN[C@@H](CC1CC1)c1ccccc1 ZINC000832658285 587674558 /nfs/dbraw/zinc/67/45/58/587674558.db2.gz NCDZGXNMXINZFV-ZDUSSCGKSA-N -1 3 248.326 2.385 20 0 BEADHM O=C([O-])[C@@H](NC1CC=CC1)c1ccccc1F ZINC000833167273 587700780 /nfs/dbraw/zinc/70/07/80/587700780.db2.gz LSPAFTVHLZEQMJ-LBPRGKRZSA-N -1 3 235.258 2.260 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)C1(C)CCC(=O)CC1 ZINC000833363446 587708405 /nfs/dbraw/zinc/70/84/05/587708405.db2.gz NUEUCXOPDRGLOI-JTQLQIEISA-N -1 3 241.331 2.230 20 0 BEADHM CC1(C)CCN1Cc1ccc(OCC(=O)[O-])cc1 ZINC000833560247 587720293 /nfs/dbraw/zinc/72/02/93/587720293.db2.gz JPPMXNSVRFOSFC-UHFFFAOYSA-N -1 3 249.310 2.134 20 0 BEADHM CCC(F)(F)C(=O)[N-][C@H](C)c1ncccc1F ZINC000834749527 587765620 /nfs/dbraw/zinc/76/56/20/587765620.db2.gz PXFNJNOXCIVBDG-SSDOTTSWSA-N -1 3 246.232 2.443 20 0 BEADHM CC(=O)c1cccc(NC([O-])=NOC2CCC2)c1 ZINC000836196596 587828410 /nfs/dbraw/zinc/82/84/10/587828410.db2.gz FEHDNFUQPVCRET-UHFFFAOYSA-N -1 3 248.282 2.495 20 0 BEADHM CC(=O)c1cccc(NC(=O)[N-]OC2CCC2)c1 ZINC000836196596 587828411 /nfs/dbraw/zinc/82/84/11/587828411.db2.gz FEHDNFUQPVCRET-UHFFFAOYSA-N -1 3 248.282 2.495 20 0 BEADHM Cc1cc(NC(=O)[N-]OC(C)C)cc2n[nH]cc21 ZINC000836483341 587834179 /nfs/dbraw/zinc/83/41/79/587834179.db2.gz RVMLLWJSXQMRGZ-UHFFFAOYSA-N -1 3 248.286 2.333 20 0 BEADHM CC[C@@H](C)CC[C@@H](O)CC(=O)[N-]OC1CCC1 ZINC000836800714 587837291 /nfs/dbraw/zinc/83/72/91/587837291.db2.gz ZYOZDPHPHWEHQV-GHMZBOCLSA-N -1 3 243.347 2.164 20 0 BEADHM O=C(/C=C/c1ccccc1F)[N-]OC1CCC1 ZINC000836798951 587837433 /nfs/dbraw/zinc/83/74/33/587837433.db2.gz TWJTTXQQRQSMNT-CMDGGOBGSA-N -1 3 235.258 2.439 20 0 BEADHM CCCC[C@@H](CC)CC(=O)[N-]OC(C)(C)CO ZINC000836804466 587837530 /nfs/dbraw/zinc/83/75/30/587837530.db2.gz ZWEZQPCEOLUIRC-LLVKDONJSA-N -1 3 245.363 2.412 20 0 BEADHM CCCC1(C(=O)[N-]O[C@H](CO)C(C)C)CCC1 ZINC000836893655 587841931 /nfs/dbraw/zinc/84/19/31/587841931.db2.gz YCXFZLYJBQERQX-LLVKDONJSA-N -1 3 243.347 2.022 20 0 BEADHM CC(C)C[C@H](C)OC(=O)c1cncc([O-])c1 ZINC000837517827 587879446 /nfs/dbraw/zinc/87/94/46/587879446.db2.gz UZJCXFNSQAVROU-VIFPVBQESA-N -1 3 223.272 2.379 20 0 BEADHM C/C=C(/C)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837564059 587882261 /nfs/dbraw/zinc/88/22/61/587882261.db2.gz JLHYGEHVSOUVMY-BAQGIRSFSA-N -1 3 248.282 2.069 20 0 BEADHM CCOCCCOC(=O)c1cc([O-])ccc1F ZINC000837871099 587901641 /nfs/dbraw/zinc/90/16/41/587901641.db2.gz XRJQTAZBYCIDOG-UHFFFAOYSA-N -1 3 242.246 2.115 20 0 BEADHM CCC[C@](C)(O)c1nc(-c2ccc([O-])cc2)no1 ZINC000841729381 587972908 /nfs/dbraw/zinc/97/29/08/587972908.db2.gz DZAYWZWUGGUNHA-ZDUSSCGKSA-N -1 3 248.282 2.450 20 0 BEADHM COC(C)(C)CCO[N-]C(=O)CC(C)(C)C ZINC000842061448 587994317 /nfs/dbraw/zinc/99/43/17/587994317.db2.gz LIBPFBUSFXJLSC-UHFFFAOYSA-N -1 3 231.336 2.286 20 0 BEADHM Cc1ncc(CO[N-]C(=O)CC(C)(C)C)s1 ZINC000842063238 587994533 /nfs/dbraw/zinc/99/45/33/587994533.db2.gz KYCWFALSFXXOPD-UHFFFAOYSA-N -1 3 242.344 2.436 20 0 BEADHM CC(C)(C)CC(=O)[N-]OCC[C@H]1CCCCO1 ZINC000842061917 587994594 /nfs/dbraw/zinc/99/45/94/587994594.db2.gz SKJMEWDOTGJWMR-LLVKDONJSA-N -1 3 243.347 2.430 20 0 BEADHM CSCCCO[N-]C(=O)CC(C)(C)C ZINC000842063028 587994645 /nfs/dbraw/zinc/99/46/45/587994645.db2.gz HQAMDMQTHGYPMR-UHFFFAOYSA-N -1 3 219.350 2.224 20 0 BEADHM Cc1ncccc1CO[N-]C(=O)CC(C)(C)C ZINC000842061693 587994738 /nfs/dbraw/zinc/99/47/38/587994738.db2.gz NMWFZHMBGZJBKG-UHFFFAOYSA-N -1 3 236.315 2.374 20 0 BEADHM CCCO[N-]C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000844083355 588162899 /nfs/dbraw/zinc/16/28/99/588162899.db2.gz OHADAROXFBSCDV-UHFFFAOYSA-N -1 3 246.310 2.477 20 0 BEADHM CCCONC(=O)c1cc(CC)ccc1[O-] ZINC000844084882 588163457 /nfs/dbraw/zinc/16/34/57/588163457.db2.gz DAGBKXNHNNZWMH-UHFFFAOYSA-N -1 3 223.272 2.026 20 0 BEADHM CCCO[N-]C(=O)C[C@@H]1CCO[C@@H](CC)C1 ZINC000844086294 588164112 /nfs/dbraw/zinc/16/41/12/588164112.db2.gz 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BEADHM CCCO[N-]C(=O)Cc1ccc(C)nc1Cl ZINC000844088725 588165962 /nfs/dbraw/zinc/16/59/62/588165962.db2.gz UNSVHEKUAPSSNW-UHFFFAOYSA-N -1 3 242.706 2.044 20 0 BEADHM CCCO[N-]C(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC000844090349 588166231 /nfs/dbraw/zinc/16/62/31/588166231.db2.gz NSPMJSMXEUVSKA-NWDGAFQWSA-N -1 3 249.310 2.257 20 0 BEADHM CSc1cccnc1NC([O-])=NOC(C)C ZINC000844827007 588217862 /nfs/dbraw/zinc/21/78/62/588217862.db2.gz YJZJXMKNIDTMSK-UHFFFAOYSA-N -1 3 241.316 2.265 20 0 BEADHM CSc1cccnc1NC(=O)[N-]OC(C)C ZINC000844827007 588217863 /nfs/dbraw/zinc/21/78/63/588217863.db2.gz YJZJXMKNIDTMSK-UHFFFAOYSA-N -1 3 241.316 2.265 20 0 BEADHM CC(C)COC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845194661 588223417 /nfs/dbraw/zinc/22/34/17/588223417.db2.gz RPSNPEISCWUCRM-UHFFFAOYSA-N -1 3 243.690 2.441 20 0 BEADHM CCCC(C)(C)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000845366753 588228083 /nfs/dbraw/zinc/22/80/83/588228083.db2.gz GLFPRRWCQPSYJM-SNVBAGLBSA-N -1 3 229.320 2.387 20 0 BEADHM COC/C(C)=C\C(=O)Nc1cccc([O-])c1F ZINC000845901655 588249958 /nfs/dbraw/zinc/24/99/58/588249958.db2.gz WRBULDNCWVLZII-VURMDHGXSA-N -1 3 239.246 2.063 20 0 BEADHM CC(C)([N-]C(=O)C(F)F)C(=O)c1ccccc1 ZINC000846205464 588259920 /nfs/dbraw/zinc/25/99/20/588259920.db2.gz HHBHTSCLEDSOMH-UHFFFAOYSA-N -1 3 241.237 2.029 20 0 BEADHM CC[C@H](C(=O)[O-])N1CCc2c(F)cccc2C1 ZINC000846246816 588262654 /nfs/dbraw/zinc/26/26/54/588262654.db2.gz SXZYTUJXEQMRBU-GFCCVEGCSA-N -1 3 237.274 2.047 20 0 BEADHM CC(C)CO[N-]C(=O)C[C@H]1OCc2ccccc21 ZINC000847603180 588318411 /nfs/dbraw/zinc/31/84/11/588318411.db2.gz HYOILTCWVGUGMC-CYBMUJFWSA-N -1 3 249.310 2.352 20 0 BEADHM C/C(=C/c1ccccn1)C(=O)[N-]OC1CCCC1 ZINC000847661938 588324659 /nfs/dbraw/zinc/32/46/59/588324659.db2.gz HTWVIFDOYXWQTB-KHPPLWFESA-N -1 3 246.310 2.475 20 0 BEADHM CC1(NC(=O)/C=C\c2cncc([O-])c2)CC=CC1 ZINC000848268939 588368909 /nfs/dbraw/zinc/36/89/09/588368909.db2.gz LXGWUDOAZVFGLJ-PLNGDYQASA-N -1 3 244.294 2.025 20 0 BEADHM C/C(=C/CN1CCC(c2ccco2)CC1)C(=O)[O-] ZINC000849344433 588473917 /nfs/dbraw/zinc/47/39/17/588473917.db2.gz LVYQOSCKOJAQEZ-WCIBSUBMSA-N -1 3 249.310 2.490 20 0 BEADHM CC1(C)C[C@H](OC(=O)c2ccc([O-])cc2)CO1 ZINC000849628505 588481733 /nfs/dbraw/zinc/48/17/33/588481733.db2.gz MTBIQAXUPSZAHS-NSHDSACASA-N -1 3 236.267 2.117 20 0 BEADHM Cc1n[n-]nc1C(=O)OC[C@H]1CCCC[C@H]1C ZINC000849767980 588495846 /nfs/dbraw/zinc/49/58/46/588495846.db2.gz JBCYCPHGKQCPFG-PSASIEDQSA-N -1 3 237.303 2.096 20 0 BEADHM Cc1cc(NC([O-])=NOC2CCC2)ccc1N ZINC000850770794 588566144 /nfs/dbraw/zinc/56/61/44/588566144.db2.gz ALVYFIZODFHCPA-UHFFFAOYSA-N -1 3 235.287 2.183 20 0 BEADHM Cc1cc(NC(=O)[N-]OC2CCC2)ccc1N ZINC000850770794 588566145 /nfs/dbraw/zinc/56/61/45/588566145.db2.gz ALVYFIZODFHCPA-UHFFFAOYSA-N -1 3 235.287 2.183 20 0 BEADHM Cc1cc(=O)[n-]c(C(C)(C)NC/C=C\Cl)n1 ZINC000852147395 588667365 /nfs/dbraw/zinc/66/73/65/588667365.db2.gz QGGJNIAGJOOUJX-PLNGDYQASA-N -1 3 241.722 2.068 20 0 BEADHM CCN(Cc1cccc(Cl)n1)[C@@H](C)C(=O)[O-] ZINC000852733974 588698368 /nfs/dbraw/zinc/69/83/68/588698368.db2.gz BYKUHIMBBBXPNB-QMMMGPOBSA-N -1 3 242.706 2.030 20 0 BEADHM CC(C)O[N-]C(=O)C[C@H](C)c1ccco1 ZINC000861878831 589181325 /nfs/dbraw/zinc/18/13/25/589181325.db2.gz AMUYHBQMCMUVKZ-VIFPVBQESA-N -1 3 211.261 2.229 20 0 BEADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccoc2)n1 ZINC000862433287 589212470 /nfs/dbraw/zinc/21/24/70/589212470.db2.gz VGHPQOVNWHOMLE-UHFFFAOYSA-N -1 3 247.298 2.109 20 0 BEADHM C[C@H]1C[C@@H]1CO[N-]C(=O)CCOc1ccccc1 ZINC000863457246 589289360 /nfs/dbraw/zinc/28/93/60/589289360.db2.gz QROGJZZMHGMSSJ-NWDGAFQWSA-N -1 3 249.310 2.159 20 0 BEADHM C/C(=C\CN1C[C@H](C)C(F)(F)[C@@H](C)C1)C(=O)[O-] ZINC000863471602 589291231 /nfs/dbraw/zinc/29/12/31/589291231.db2.gz WHIPVEMVHDUPAK-DQRKKKBRSA-N -1 3 247.285 2.240 20 0 BEADHM CCO[C@H](CO[N-]C(=O)CC(C)(C)C)C1CC1 ZINC000863474488 589291862 /nfs/dbraw/zinc/29/18/62/589291862.db2.gz HUKXQXJIQOLWRI-LLVKDONJSA-N -1 3 243.347 2.286 20 0 BEADHM O=S(=O)([N-]C1CCC=CCC1)c1ccco1 ZINC000885833384 589311182 /nfs/dbraw/zinc/31/11/82/589311182.db2.gz DXAKJBHIZOWEQR-UHFFFAOYSA-N -1 3 241.312 2.057 20 0 BEADHM O=c1ccc(-c2cnn3c2CCCC3)c(F)[n-]1 ZINC000863976025 589331576 /nfs/dbraw/zinc/33/15/76/589331576.db2.gz SSEIQUIPLGLSRK-UHFFFAOYSA-N -1 3 233.246 2.126 20 0 BEADHM CCc1ccc(CN[C@@H]2CCC[C@@H]2C(=O)[O-])o1 ZINC000864527291 589375325 /nfs/dbraw/zinc/37/53/25/589375325.db2.gz XCLXNXDDGWZZDZ-NWDGAFQWSA-N -1 3 237.299 2.185 20 0 BEADHM CCO[N-]C(=O)c1c(F)cc(OC)cc1Cl ZINC000864690777 589390341 /nfs/dbraw/zinc/39/03/41/589390341.db2.gz XHPPLTQJLSGWSG-UHFFFAOYSA-N -1 3 247.653 2.169 20 0 BEADHM CC(F)(F)C(=O)[N-]Cc1cccc(F)c1F ZINC000866090611 589475376 /nfs/dbraw/zinc/47/53/76/589475376.db2.gz ADXVKCBAEGJPAH-UHFFFAOYSA-N -1 3 235.180 2.236 20 0 BEADHM CC(C)OCCO[N-]C(=O)[C@]12C[C@H]1CCCC2 ZINC000868494826 589560962 /nfs/dbraw/zinc/56/09/62/589560962.db2.gz RNQBPUBVUJWETP-DGCLKSJQSA-N -1 3 241.331 2.040 20 0 BEADHM CCOCCCCCC(=O)[N-]OCC1CC1 ZINC000868552940 589564007 /nfs/dbraw/zinc/56/40/07/589564007.db2.gz DOXWNPBHNFDNGX-UHFFFAOYSA-N -1 3 229.320 2.041 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H]1C(F)F ZINC000868608733 589567485 /nfs/dbraw/zinc/56/74/85/589567485.db2.gz GWGROJWUYIOQRU-MRVPVSSYSA-N -1 3 241.237 2.180 20 0 BEADHM CC[C@@H](CC(=O)[N-]OC(C)(C)CO)C(C)(C)C ZINC000868660469 589571295 /nfs/dbraw/zinc/57/12/95/589571295.db2.gz SXWWXBRYBUTZMU-JTQLQIEISA-N -1 3 245.363 2.268 20 0 BEADHM O=C([N-]OCC1CCC1)[C@@]12C[C@@H]1CCCC2 ZINC000869306275 589597271 /nfs/dbraw/zinc/59/72/71/589597271.db2.gz ZCQCZZZRQVSJSY-AAEUAGOBSA-N -1 3 223.316 2.415 20 0 BEADHM CCCCC(=O)COC(=O)c1ccc([O-])cc1 ZINC000869314490 589597881 /nfs/dbraw/zinc/59/78/81/589597881.db2.gz RGOHQMUWFHBUQS-UHFFFAOYSA-N -1 3 236.267 2.308 20 0 BEADHM C[C@@H](COC(=O)c1cnn[n-]1)CC(C)(C)C ZINC000869518148 589611100 /nfs/dbraw/zinc/61/11/00/589611100.db2.gz ORYOCBMHXZEJQA-MRVPVSSYSA-N -1 3 225.292 2.034 20 0 BEADHM C[C@@H](COC(=O)c1c[n-]nn1)CC(C)(C)C ZINC000869518148 589611101 /nfs/dbraw/zinc/61/11/01/589611101.db2.gz ORYOCBMHXZEJQA-MRVPVSSYSA-N -1 3 225.292 2.034 20 0 BEADHM C[C@H](COC(=O)c1cnn[n-]1)CC(C)(C)C ZINC000869518149 589611231 /nfs/dbraw/zinc/61/12/31/589611231.db2.gz ORYOCBMHXZEJQA-QMMMGPOBSA-N -1 3 225.292 2.034 20 0 BEADHM C[C@H](COC(=O)c1c[n-]nn1)CC(C)(C)C ZINC000869518149 589611233 /nfs/dbraw/zinc/61/12/33/589611233.db2.gz ORYOCBMHXZEJQA-QMMMGPOBSA-N -1 3 225.292 2.034 20 0 BEADHM CC(C)CCC(=O)[N-]OCc1ccccn1 ZINC000871795920 589819757 /nfs/dbraw/zinc/81/97/57/589819757.db2.gz AMTBCSNBKSZMBA-UHFFFAOYSA-N -1 3 222.288 2.066 20 0 BEADHM Cc1[n-]n(Cc2ccc(F)cc2F)c(=O)c1F ZINC000871949839 589839280 /nfs/dbraw/zinc/83/92/80/589839280.db2.gz OAVYZSNLYOFSMP-SNVBAGLBSA-N -1 3 242.200 2.021 20 0 BEADHM Cc1[n-]n(C2CCCCCC2)c(=O)c1F ZINC000871950367 589839920 /nfs/dbraw/zinc/83/99/20/589839920.db2.gz DEBWPVNQOBSONX-SNVBAGLBSA-N -1 3 212.268 2.265 20 0 BEADHM Cc1[n-]n(Cc2cccc(C)c2)c(=O)c1F ZINC000871950890 589840741 /nfs/dbraw/zinc/84/07/41/589840741.db2.gz GXDHAERIAKZKKJ-LLVKDONJSA-N -1 3 220.247 2.051 20 0 BEADHM C[C@H](N[C@@H]1CCCOC1)c1cccc([O-])c1F ZINC000872035246 589858332 /nfs/dbraw/zinc/85/83/32/589858332.db2.gz UUGXUUDIWNVOGW-VHSXEESVSA-N -1 3 239.290 2.361 20 0 BEADHM CCC[C@H](O)CN[C@@H](C)c1cccc([O-])c1F ZINC000872034724 589858501 /nfs/dbraw/zinc/85/85/01/589858501.db2.gz IPTVVIOZQOGLMZ-UWVGGRQHSA-N -1 3 241.306 2.343 20 0 BEADHM C[C@@H](NCc1ccon1)c1cccc([O-])c1F ZINC000872040119 589859079 /nfs/dbraw/zinc/85/90/79/589859079.db2.gz KGDOJNHXQNWDMK-MRVPVSSYSA-N -1 3 236.246 2.370 20 0 BEADHM C[C@@H](NCc1ccn(C)n1)c1cccc([O-])c1F ZINC000872053768 589861567 /nfs/dbraw/zinc/86/15/67/589861567.db2.gz MQOXEHNYNWOVJP-SECBINFHSA-N -1 3 249.289 2.116 20 0 BEADHM C[C@H](NCc1cocn1)c1cccc([O-])c1F ZINC000872054661 589862265 /nfs/dbraw/zinc/86/22/65/589862265.db2.gz AUOGSCLBNBNEIS-QMMMGPOBSA-N -1 3 236.246 2.370 20 0 BEADHM CO[C@H](C)CN[C@H](C)c1cccc([O-])c1F ZINC000872063917 589862522 /nfs/dbraw/zinc/86/25/22/589862522.db2.gz AGDCVUZTEHUDRK-RKDXNWHRSA-N -1 3 227.279 2.217 20 0 BEADHM C[C@@H](NCCF)c1cccc([O-])c1F ZINC000872067571 589863635 /nfs/dbraw/zinc/86/36/35/589863635.db2.gz BGRWLKNBCDRMCB-SSDOTTSWSA-N -1 3 201.216 2.151 20 0 BEADHM C[C@H](C1CC1)N(C)c1cc(Cl)n[n-]c1=O ZINC000872403890 589935534 /nfs/dbraw/zinc/93/55/34/589935534.db2.gz WZZUHKWWIHWOBF-ZCFIWIBFSA-N -1 3 227.695 2.070 20 0 BEADHM CCCN(CCC)c1cc(Cl)n[n-]c1=O ZINC000872406642 589936312 /nfs/dbraw/zinc/93/63/12/589936312.db2.gz XJODRSYPQDCANQ-UHFFFAOYSA-N -1 3 229.711 2.462 20 0 BEADHM C[C@@H]1CCCN(c2cc(Cl)n[n-]c2=O)CC1 ZINC000872430577 589938926 /nfs/dbraw/zinc/93/89/26/589938926.db2.gz WKUJBIFRLQYZRZ-MRVPVSSYSA-N -1 3 241.722 2.462 20 0 BEADHM CC[C@@H](C)CN(C)c1cc(Cl)n[n-]c1=O ZINC000872448174 589940532 /nfs/dbraw/zinc/94/05/32/589940532.db2.gz AYGLJTBIRBNPKO-SSDOTTSWSA-N -1 3 229.711 2.318 20 0 BEADHM CC[C@H]1C[C@H](C)CN1c1cc(Cl)n[n-]c1=O ZINC000872470654 589942435 /nfs/dbraw/zinc/94/24/35/589942435.db2.gz JIBQNPQBIDODFC-YUMQZZPRSA-N -1 3 241.722 2.460 20 0 BEADHM CC(C)=CCNc1cc(Cl)n[n-]c1=O ZINC000872518704 589946583 /nfs/dbraw/zinc/94/65/83/589946583.db2.gz BFSJNMBLPSUXGC-UHFFFAOYSA-N -1 3 213.668 2.214 20 0 BEADHM O=c1[n-]nc(Cl)cc1NC[C@H]1CCSC1 ZINC000872526435 589946966 /nfs/dbraw/zinc/94/69/66/589946966.db2.gz RGMGLEDJQIOQJE-ZCFIWIBFSA-N -1 3 245.735 2.001 20 0 BEADHM CC1=C(C)CN(c2cc(Cl)n[n-]c2=O)CC1 ZINC000872528475 589947580 /nfs/dbraw/zinc/94/75/80/589947580.db2.gz IYMADXFVKOVAIF-UHFFFAOYSA-N -1 3 239.706 2.382 20 0 BEADHM O=c1[n-]nc(Cl)cc1NCC1CC(F)(F)C1 ZINC000872551217 589949281 /nfs/dbraw/zinc/94/92/81/589949281.db2.gz CCXJVLPIJACFON-UHFFFAOYSA-N -1 3 249.648 2.293 20 0 BEADHM CC(C)SCCNc1cc(Cl)n[n-]c1=O ZINC000872547293 589949286 /nfs/dbraw/zinc/94/92/86/589949286.db2.gz XUNSFKOMKRSPPE-UHFFFAOYSA-N -1 3 247.751 2.389 20 0 BEADHM O=c1[n-]nc(Cl)cc1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000872570127 589952593 /nfs/dbraw/zinc/95/25/93/589952593.db2.gz NKTONEORIIWKHE-GJMOJQLCSA-N -1 3 239.706 2.436 20 0 BEADHM O=c1[n-]nc(Cl)cc1N[C@@H]1CC12CCC2 ZINC000872774651 589967639 /nfs/dbraw/zinc/96/76/39/589967639.db2.gz FXUJPXBZPJZEND-SSDOTTSWSA-N -1 3 225.679 2.190 20 0 BEADHM O=c1[n-]nc(Cl)cc1N[C@H]1CC12CCC2 ZINC000872774652 589967678 /nfs/dbraw/zinc/96/76/78/589967678.db2.gz FXUJPXBZPJZEND-ZETCQYMHSA-N -1 3 225.679 2.190 20 0 BEADHM C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2C[C@@H](C(=O)[O-])C2)o1 ZINC000874046836 590087178 /nfs/dbraw/zinc/08/71/78/590087178.db2.gz KNQXBCOVRNTRPU-SVDPJWKOSA-N -1 3 249.310 2.356 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CC12CCC2 ZINC000874777514 590129624 /nfs/dbraw/zinc/12/96/24/590129624.db2.gz LVFSCQXXFRXXNG-GFCCVEGCSA-N -1 3 249.285 2.133 20 0 BEADHM CCCN(C)Cc1nnc(-c2ccccc2[O-])o1 ZINC000878014788 590471648 /nfs/dbraw/zinc/47/16/48/590471648.db2.gz WUPXYXLPKFDASW-UHFFFAOYSA-N -1 3 247.298 2.284 20 0 BEADHM C=C/C=C\CCNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000878686827 590609729 /nfs/dbraw/zinc/60/97/29/590609729.db2.gz HXZLGNOKANSPEK-SREVYHEPSA-N -1 3 247.342 2.448 20 0 BEADHM CC1(C)CC[C@@H](CC(=O)[N-]OC2CCC2)OC1 ZINC000880078458 590919576 /nfs/dbraw/zinc/91/95/76/590919576.db2.gz GDLUKVLPFLYAGD-NSHDSACASA-N -1 3 241.331 2.182 20 0 BEADHM O=C(C[C@@H]1C[C@H]1C1CC1)[N-]OCCC1CC1 ZINC000880110579 590927105 /nfs/dbraw/zinc/92/71/05/590927105.db2.gz JRJQUILLYFUVCW-RYUDHWBXSA-N -1 3 223.316 2.271 20 0 BEADHM CC1(C)CC[C@H](CC(=O)[N-]OCC2CC2)OC1 ZINC000880109924 590928010 /nfs/dbraw/zinc/92/80/10/590928010.db2.gz BAHNRVFWMDAHDE-LLVKDONJSA-N -1 3 241.331 2.040 20 0 BEADHM CC[C@@H]1CCC[C@]1(C)C(=O)[N-]OC(C)(C)CO ZINC000880264804 590980907 /nfs/dbraw/zinc/98/09/07/590980907.db2.gz JLRYOIVPNJSOBX-MFKMUULPSA-N -1 3 243.347 2.022 20 0 BEADHM CCc1cccc(C(=O)NN2CCCCC2)c1[O-] ZINC000128492710 591094751 /nfs/dbraw/zinc/09/47/51/591094751.db2.gz QGZWBUPPQRMZSO-UHFFFAOYSA-N -1 3 248.326 2.085 20 0 BEADHM CCO[N-]C(=O)Nc1cscc1Cl ZINC000880978300 591155856 /nfs/dbraw/zinc/15/58/56/591155856.db2.gz ZQTGUHUPVVZJFP-UHFFFAOYSA-N -1 3 220.681 2.475 20 0 BEADHM CC(C)ON=C([O-])Nc1ncsc1C1CC1 ZINC000881029840 591160398 /nfs/dbraw/zinc/16/03/98/591160398.db2.gz ZFCGQQOWHFNTDI-UHFFFAOYSA-N -1 3 241.316 2.482 20 0 BEADHM CC(C)O[N-]C(=O)Nc1ncsc1C1CC1 ZINC000881029840 591160400 /nfs/dbraw/zinc/16/04/00/591160400.db2.gz ZFCGQQOWHFNTDI-UHFFFAOYSA-N -1 3 241.316 2.482 20 0 BEADHM C=C/C=C/CCSc1ncc(C(=O)OC)[n-]1 ZINC000882157150 591308076 /nfs/dbraw/zinc/30/80/76/591308076.db2.gz WAXQCVKFMOANBT-SNAWJCMRSA-N -1 3 238.312 2.421 20 0 BEADHM CC(C)C(=O)NCc1cc([O-])ccc1Cl ZINC000882227760 591317768 /nfs/dbraw/zinc/31/77/68/591317768.db2.gz UCZHQCVCRAAMMB-UHFFFAOYSA-N -1 3 227.691 2.318 20 0 BEADHM CCCC[C@@H](CC)Cn1c([O-])coc1=O ZINC000882274403 591323982 /nfs/dbraw/zinc/32/39/82/591323982.db2.gz LPKKHIQTWLWLRB-SECBINFHSA-N -1 3 213.277 2.182 20 0 BEADHM C[C@H](Cn1c([O-])coc1=O)C1CCCCC1 ZINC000882276462 591324488 /nfs/dbraw/zinc/32/44/88/591324488.db2.gz OWEKKLZTPVVLAZ-SECBINFHSA-N -1 3 225.288 2.182 20 0 BEADHM Cc1ccc(Cn2c([O-])coc2=O)c(Cl)c1 ZINC000882276691 591325115 /nfs/dbraw/zinc/32/51/15/591325115.db2.gz UTMBEAVMFAZJST-UHFFFAOYSA-N -1 3 239.658 2.127 20 0 BEADHM O=C(Nc1ccncc1)c1cc2occc2[n-]1 ZINC000130730911 591512625 /nfs/dbraw/zinc/51/26/25/591512625.db2.gz GXWDPBIBDABXOK-UHFFFAOYSA-N -1 3 227.223 2.408 20 0 BEADHM Nc1ccc(C(=O)NC2CCCCCC2)c([O-])c1 ZINC000214016087 591528246 /nfs/dbraw/zinc/52/82/46/591528246.db2.gz JQFCIHMLLVLRFY-UHFFFAOYSA-N -1 3 248.326 2.427 20 0 BEADHM O=c1ccnc(C=Cc2ccc3ncccc3c2)[n-]1 ZINC000131801425 591662962 /nfs/dbraw/zinc/66/29/62/591662962.db2.gz AUCMBNZIEQURCT-GQCTYLIASA-N -1 3 249.273 2.489 20 0 BEADHM CC[C@@H](N[C@H](C)c1cc(F)ccc1F)C(=O)[O-] ZINC000134932627 591961685 /nfs/dbraw/zinc/96/16/85/591961685.db2.gz AQDWWTMJUROHBW-RDDDGLTNSA-N -1 3 243.253 2.479 20 0 BEADHM CCCC(C)(C)C(=O)NCc1cncc([O-])c1 ZINC000886272980 592194157 /nfs/dbraw/zinc/19/41/57/592194157.db2.gz IUTWOKQQKLRHGK-UHFFFAOYSA-N -1 3 236.315 2.230 20 0 BEADHM C[C@@H]1CCCC[C@@H]1C(=O)NCc1cncc([O-])c1 ZINC000886275139 592194699 /nfs/dbraw/zinc/19/46/99/592194699.db2.gz PDXACORZSFINMD-MFKMUULPSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@@H]1CC/C(=C/C(=O)NCc2cncc([O-])c2)C1 ZINC000886278137 592197050 /nfs/dbraw/zinc/19/70/50/592197050.db2.gz PFGPLRCNSPPABZ-CHPNCVJKSA-N -1 3 246.310 2.150 20 0 BEADHM C[C@@H]1CCC[C@@H](C(=O)NCc2cncc([O-])c2)C1 ZINC000886279994 592198038 /nfs/dbraw/zinc/19/80/38/592198038.db2.gz QMHHMJFWEZNIJX-ZYHUDNBSSA-N -1 3 248.326 2.230 20 0 BEADHM O=C(NCc1cncc([O-])c1)C1CCCCCC1 ZINC000886279862 592198398 /nfs/dbraw/zinc/19/83/98/592198398.db2.gz MSNOWRIRZQHYAU-UHFFFAOYSA-N -1 3 248.326 2.374 20 0 BEADHM O=C(CCC1CCCC1)NCc1cncc([O-])c1 ZINC000886283541 592199510 /nfs/dbraw/zinc/19/95/10/592199510.db2.gz ZIOCRJRYCYXMSM-UHFFFAOYSA-N -1 3 248.326 2.374 20 0 BEADHM O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1ccc(O)cc1[O-] ZINC000889600039 592625893 /nfs/dbraw/zinc/62/58/93/592625893.db2.gz OJFQHUNBEVZGKC-MKPLZMMCSA-N -1 3 247.294 2.016 20 0 BEADHM CC(C)[C@@H](NCc1c(F)cccc1F)C(=O)[O-] ZINC000043429486 597626916 /nfs/dbraw/zinc/62/69/16/597626916.db2.gz CKDPEIGKSHICCE-LLVKDONJSA-N -1 3 243.253 2.164 20 0 BEADHM C[C@H](NCC(=O)[O-])c1c(F)cccc1Cl ZINC000309023988 598209891 /nfs/dbraw/zinc/20/98/91/598209891.db2.gz WUCJGPAXPJZDQP-LURJTMIESA-N -1 3 231.654 2.214 20 0 BEADHM CC(C)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000735838960 598548353 /nfs/dbraw/zinc/54/83/53/598548353.db2.gz XKNDMUZPBKHUBF-UHFFFAOYSA-N -1 3 236.250 2.041 20 0 BEADHM CC(C)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000735838960 598548355 /nfs/dbraw/zinc/54/83/55/598548355.db2.gz XKNDMUZPBKHUBF-UHFFFAOYSA-N -1 3 236.250 2.041 20 0 BEADHM CC1(Nc2ncccc2-c2nn[n-]n2)CCCC1 ZINC000095249125 598814924 /nfs/dbraw/zinc/81/49/24/598814924.db2.gz KKMQAWNYNXCQIT-UHFFFAOYSA-N -1 3 244.302 2.006 20 0 BEADHM CC1(Nc2ncccc2-c2nnn[n-]2)CCCC1 ZINC000095249125 598814923 /nfs/dbraw/zinc/81/49/23/598814923.db2.gz KKMQAWNYNXCQIT-UHFFFAOYSA-N -1 3 244.302 2.006 20 0 BEADHM CC[C@@H](C)Sc1cc(-c2nnn[n-]2)ccn1 ZINC000095275574 599521871 /nfs/dbraw/zinc/52/18/71/599521871.db2.gz SYFFCSHYLUDJHT-SSDOTTSWSA-N -1 3 235.316 2.152 20 0 BEADHM CC[C@@H](C)Sc1cc(-c2nn[n-]n2)ccn1 ZINC000095275574 599521874 /nfs/dbraw/zinc/52/18/74/599521874.db2.gz SYFFCSHYLUDJHT-SSDOTTSWSA-N -1 3 235.316 2.152 20 0 BEADHM CN(Cc1cc(F)ccc1F)C(C)(C)C(=O)[O-] ZINC000061171693 600306576 /nfs/dbraw/zinc/30/65/76/600306576.db2.gz XHTBMZIKSLVDSO-UHFFFAOYSA-N -1 3 243.253 2.260 20 0 BEADHM C[C@H]1c2c(F)cccc2CCN1CCC(=O)[O-] ZINC000299752818 600471711 /nfs/dbraw/zinc/47/17/11/600471711.db2.gz VOMZTQHXSHKWJL-VIFPVBQESA-N -1 3 237.274 2.220 20 0 BEADHM C[C@@H](N[C@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000049353323 600741408 /nfs/dbraw/zinc/74/14/08/600741408.db2.gz OGWIPDBKWCFEEM-RNFRBKRXSA-N -1 3 229.226 2.089 20 0 BEADHM O=C([O-])N1CCN(CCC2CCCCC2)CC1 ZINC000149597261 600989293 /nfs/dbraw/zinc/98/92/93/600989293.db2.gz AXUUUVQUPWGRBZ-UHFFFAOYSA-N -1 3 240.347 2.252 20 0 BEADHM O=C([O-])c1cccc(CNCc2cccnc2)c1 ZINC000041582256 601574722 /nfs/dbraw/zinc/57/47/22/601574722.db2.gz AKNVRSMZHRPBBR-UHFFFAOYSA-N -1 3 242.278 2.070 20 0 BEADHM CC1(C)CCN1Cc1ccsc1C(=O)[O-] ZINC000706928541 601828524 /nfs/dbraw/zinc/82/85/24/601828524.db2.gz MPZPZMJMQAGFAX-UHFFFAOYSA-N -1 3 225.313 2.431 20 0 BEADHM C[C@@H](NCCNC(=O)[O-])c1cc2ccccc2o1 ZINC000739036690 602046670 /nfs/dbraw/zinc/04/66/70/602046670.db2.gz TXJSXMCSRKSWPR-SECBINFHSA-N -1 3 248.282 2.351 20 0 BEADHM Cc1nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs1 ZINC000395824375 602222766 /nfs/dbraw/zinc/22/27/66/602222766.db2.gz VIOGFVCRDDJVJB-SECBINFHSA-N -1 3 242.344 2.040 20 0 BEADHM C[C@@H]1CN([C@@H]2C=CCCC2)C[C@H](C)N1C(=O)[O-] ZINC000739177770 602829160 /nfs/dbraw/zinc/82/91/60/602829160.db2.gz PEXODMCMRRLBGC-GRYCIOLGSA-N -1 3 238.331 2.168 20 0 BEADHM C[C@@H](CNC(=O)[O-])N(C)C/C=C\c1ccccc1 ZINC000738937738 603237171 /nfs/dbraw/zinc/23/71/71/603237171.db2.gz FOJPQVSRYAEDKH-PWWFUAJNSA-N -1 3 248.326 2.288 20 0 BEADHM C/C(=C\CN(C)[C@H](C)c1ccncc1)C(=O)[O-] ZINC000383675179 604718907 /nfs/dbraw/zinc/71/89/07/604718907.db2.gz XFLBXOAOEKXMSF-CDCCAWJDSA-N -1 3 234.299 2.105 20 0 BEADHM C/C(=C/CN(C)[C@H](C)c1ccncc1)C(=O)[O-] ZINC000383675181 604718893 /nfs/dbraw/zinc/71/88/93/604718893.db2.gz XFLBXOAOEKXMSF-SDKXAQGSSA-N -1 3 234.299 2.105 20 0 BEADHM Cc1cc(C)cc(CN2CC[C@H](NC(=O)[O-])C2)c1 ZINC000740067800 605910641 /nfs/dbraw/zinc/91/06/41/605910641.db2.gz UOOZSINSIOQMML-ZDUSSCGKSA-N -1 3 248.326 2.145 20 0 BEADHM CC[C@H](C)CNc1cccc(-c2nnn[n-]2)c1 ZINC000037102028 606983657 /nfs/dbraw/zinc/98/36/57/606983657.db2.gz FZOLGFDHJPYAMM-VIFPVBQESA-N -1 3 231.303 2.325 20 0 BEADHM CC[C@H](C)CNc1cccc(-c2nn[n-]n2)c1 ZINC000037102028 606983659 /nfs/dbraw/zinc/98/36/59/606983659.db2.gz FZOLGFDHJPYAMM-VIFPVBQESA-N -1 3 231.303 2.325 20 0 BEADHM O=C([O-])c1cncc(CN2CCCCCC2)c1 ZINC000257987193 634533495 /nfs/dbraw/zinc/53/34/95/634533495.db2.gz XNKRPDPKQMTJQW-UHFFFAOYSA-N -1 3 234.299 2.156 20 0 BEADHM Cc1nc(NCCCCOC(C)C)cc(=O)[n-]1 ZINC000225398931 635407166 /nfs/dbraw/zinc/40/71/66/635407166.db2.gz UFZPYKYHQNGPKM-UHFFFAOYSA-N -1 3 239.319 2.108 20 0 BEADHM Cc1nc(N(C)Cc2cccs2)cc(=O)[n-]1 ZINC000891470508 631373044 /nfs/dbraw/zinc/37/30/44/631373044.db2.gz DYFMHHSZMPXAJN-UHFFFAOYSA-N -1 3 235.312 2.189 20 0 BEADHM CCO[N-]C(=O)CCCc1cc(F)ccc1F ZINC000090139852 631523531 /nfs/dbraw/zinc/52/35/31/631523531.db2.gz LUDMZEDRKBJTCT-UHFFFAOYSA-N -1 3 243.253 2.355 20 0 BEADHM O=C(/C=C\c1ccco1)Nc1ncccc1[O-] ZINC000255497748 631794674 /nfs/dbraw/zinc/79/46/74/631794674.db2.gz ZBJCMAPURXSXIW-WAYWQWQTSA-N -1 3 230.223 2.032 20 0 BEADHM CS[C@H](C)CNCc1cc(C(=O)[O-])c(C)o1 ZINC000235077920 631919808 /nfs/dbraw/zinc/91/98/08/631919808.db2.gz XXIIRALZDYQDPY-SSDOTTSWSA-N -1 3 243.328 2.127 20 0 BEADHM O=C(Nc1ccc2ccccc2c1)c1cnn[n-]1 ZINC000108285341 635769870 /nfs/dbraw/zinc/76/98/70/635769870.db2.gz OYYQOVCZQLRLTP-UHFFFAOYSA-N -1 3 238.250 2.210 20 0 BEADHM O=C(Nc1ccc2ccccc2c1)c1c[n-]nn1 ZINC000108285341 635769882 /nfs/dbraw/zinc/76/98/82/635769882.db2.gz 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/nfs/dbraw/zinc/30/23/87/712302387.db2.gz DUUMYCWOUCVZPD-JTQLQIEISA-N -1 3 249.314 2.004 20 0 BEADHM O=C([O-])c1ccoc1CN1CCC[C@@H](CF)C1 ZINC000711455228 712303939 /nfs/dbraw/zinc/30/39/39/712303939.db2.gz NXTBCCHRRRBLOR-VIFPVBQESA-N -1 3 241.262 2.159 20 0 BEADHM CC(C)O[N-]C(=O)C[C@@H]1CCCC1(F)F ZINC000713921304 712473280 /nfs/dbraw/zinc/47/32/80/712473280.db2.gz NUNBFNOYDZMTFX-QMMMGPOBSA-N -1 3 221.247 2.268 20 0 BEADHM Cc1cc(CN(C)CCCF)oc1C(=O)[O-] ZINC000714956067 712503421 /nfs/dbraw/zinc/50/34/21/712503421.db2.gz UZXGRETXATZCDO-UHFFFAOYSA-N -1 3 229.251 2.078 20 0 BEADHM CCN(C)Cc1ccc([O-])c(F)c1F ZINC001140890237 960664715 /nfs/dbraw/zinc/66/47/15/960664715.db2.gz ZRIQJKMQACYQFV-UHFFFAOYSA-N -1 3 201.216 2.122 20 0 BEADHM CC(C)NC(=S)Nc1ccc([O-])c(F)c1 ZINC000168608805 964175888 /nfs/dbraw/zinc/17/58/88/964175888.db2.gz QQXKSJYBOJONPE-UHFFFAOYSA-N -1 3 228.292 2.226 20 0 BEADHM CCC1CN(Cc2ccc(C(=O)[O-])s2)C1 ZINC000697889723 964642529 /nfs/dbraw/zinc/64/25/29/964642529.db2.gz 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225.210 2.177 20 0 BEADHM COc1ccnc(-c2ccccc2[O-])c1 ZINC000075601828 1166002037 /nfs/dbraw/zinc/00/20/37/1166002037.db2.gz RZQXCTUVTYJAIK-UHFFFAOYSA-N -1 3 201.225 2.463 20 0 BEADHM Cc1ncnc(-c2ccccc2[O-])c1C ZINC000082912358 1166085378 /nfs/dbraw/zinc/08/53/78/1166085378.db2.gz VMKMMFBBUUYBGB-UHFFFAOYSA-N -1 3 200.241 2.466 20 0 BEADHM Cc1nnc(-c2cc([O-])cc(Cl)c2)o1 ZINC001253462915 969185809 /nfs/dbraw/zinc/18/58/09/969185809.db2.gz DQASKMHWWJOEHE-UHFFFAOYSA-N -1 3 210.620 2.404 20 0 BEADHM Cc1ccc(C(=O)NC/C=C\C2CC2)c([O-])c1 ZINC000393928474 1166540684 /nfs/dbraw/zinc/54/06/84/1166540684.db2.gz CZZJONASFWHVFB-IHWYPQMZSA-N -1 3 231.295 2.397 20 0 BEADHM CCCC(=O)[C@@H](CCC)Oc1cc(=O)[n-]cn1 ZINC001226944459 975170957 /nfs/dbraw/zinc/17/09/57/975170957.db2.gz GKHQQRXXLWIMNR-SNVBAGLBSA-N -1 3 238.287 2.099 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@@H](C)c1cccc(F)c1 ZINC001226461935 1167130243 /nfs/dbraw/zinc/13/02/43/1167130243.db2.gz ZCEXXJZZNPGBRM-QMMMGPOBSA-N -1 3 249.245 2.165 20 0 BEADHM 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BEADHM CC(C)(C)Cc1nnc(-c2cncc([O-])c2)o1 ZINC001257880825 971514688 /nfs/dbraw/zinc/51/46/88/971514688.db2.gz NIUBPBHOEIQLIJ-UHFFFAOYSA-N -1 3 233.271 2.426 20 0 BEADHM CC[C@@H](NCCCC(=O)[O-])c1nccs1 ZINC000070732887 948985078 /nfs/dbraw/zinc/98/50/78/948985078.db2.gz KJEZDQRTEFLMEZ-MRVPVSSYSA-N -1 3 228.317 2.049 20 0 BEADHM C[C@@H](NCc1ncc(C(=O)[O-])s1)C(C)(C)C ZINC000381075544 971737272 /nfs/dbraw/zinc/73/72/72/971737272.db2.gz PVOWQWGMOBPUIR-SSDOTTSWSA-N -1 3 242.344 2.366 20 0 BEADHM [O-]c1cc(Cl)cc(F)c1OC[C@H]1C[C@H](O)C1 ZINC001218429804 971807927 /nfs/dbraw/zinc/80/79/27/971807927.db2.gz KSUKLNLGHXSLMQ-FKQCQYRASA-N -1 3 246.665 2.334 20 0 BEADHM Cc1conc1C(=O)[N-]c1cc(C(C)C)on1 ZINC001135190680 971841810 /nfs/dbraw/zinc/84/18/10/971841810.db2.gz QZHQDCUFBQUCJT-UHFFFAOYSA-N -1 3 235.243 2.347 20 0 BEADHM [O-]c1cc(F)cc(-c2cnc3c(c2)OCCO3)c1 ZINC001241272133 1169717458 /nfs/dbraw/zinc/71/74/58/1169717458.db2.gz NGDVNWAZHCTSFE-UHFFFAOYSA-N -1 3 247.225 2.365 20 0 BEADHM [O-]c1cccc(CNCCF)c1Br ZINC000315246673 972225331 /nfs/dbraw/zinc/22/53/31/972225331.db2.gz VHRKHGNTCRJGNJ-UHFFFAOYSA-N -1 3 248.095 2.214 20 0 BEADHM C[C@@H](N[C@@H](C)C1CC1)c1ncc(C(=O)[O-])s1 ZINC000315381192 972231683 /nfs/dbraw/zinc/23/16/83/972231683.db2.gz RFLWVUBOOCGZHV-NKWVEPMBSA-N -1 3 240.328 2.290 20 0 BEADHM C[C@H](N[C@@H](C)C1CC1)c1ncc(C(=O)[O-])s1 ZINC000315381190 972232852 /nfs/dbraw/zinc/23/28/52/972232852.db2.gz RFLWVUBOOCGZHV-BQBZGAKWSA-N -1 3 240.328 2.290 20 0 BEADHM C[C@H](CN(C)Cc1cccc(F)c1F)C(=O)[O-] ZINC000042707534 957427152 /nfs/dbraw/zinc/42/71/52/957427152.db2.gz UUSPGXFXROIJMV-MRVPVSSYSA-N -1 3 243.253 2.117 20 0 BEADHM CCN(CC)Cc1cc(C(=O)[O-])ccc1F ZINC000062750074 957607843 /nfs/dbraw/zinc/60/78/43/957607843.db2.gz HXGLGBCGPVCIMM-UHFFFAOYSA-N -1 3 225.263 2.366 20 0 BEADHM CCN(CC)Cc1ccc(C(=O)[O-])cc1F ZINC000062750073 957608641 /nfs/dbraw/zinc/60/86/41/957608641.db2.gz VYUPTQSUWJNJOE-UHFFFAOYSA-N -1 3 225.263 2.366 20 0 BEADHM FC(F)(F)n1cc([N-]c2ncco2)cn1 ZINC001210358624 957731706 /nfs/dbraw/zinc/73/17/06/957731706.db2.gz ZLYTYHHDKFNIPW-UHFFFAOYSA-N -1 3 218.138 2.091 20 0 BEADHM CCC(C)=Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001210796266 957894746 /nfs/dbraw/zinc/89/47/46/957894746.db2.gz OMGFKDJAJDQPEF-XBXARRHUSA-N -1 3 241.312 2.131 20 0 BEADHM Cc1cc(C(N)=O)c([N-]c2nccs2)s1 ZINC001210989727 957969901 /nfs/dbraw/zinc/96/99/01/957969901.db2.gz QSXBTHHTBLQMNG-UHFFFAOYSA-N -1 3 239.325 2.356 20 0 BEADHM C[C@@H](C1CC1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087616155 958023021 /nfs/dbraw/zinc/02/30/21/958023021.db2.gz UVCXLBKDKWNGIO-IINYFYTJSA-N -1 3 245.322 2.469 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC/C=C/C1CC1 ZINC000706637335 958080282 /nfs/dbraw/zinc/08/02/82/958080282.db2.gz RTZCZGCRTGGEDS-HWKANZROSA-N -1 3 231.295 2.397 20 0 BEADHM C/C=C(\C)C(=O)Nc1ccc(F)c([O-])c1 ZINC001143943955 972423625 /nfs/dbraw/zinc/42/36/25/972423625.db2.gz UZEPHHLHOPSGTJ-XVNBXDOJSA-N -1 3 209.220 2.436 20 0 BEADHM CC[C@@H]1CCN(C(=O)c2c([O-])cccc2OC)C1 ZINC000405280262 959432063 /nfs/dbraw/zinc/43/20/63/959432063.db2.gz BBVNDTJTJFZICM-SNVBAGLBSA-N -1 3 249.310 2.273 20 0 BEADHM Cc1cc(C(=O)[O-])ccc1Nc1nccn1C ZINC001211615550 959539172 /nfs/dbraw/zinc/53/91/72/959539172.db2.gz VRMBBHFHHMVFHL-UHFFFAOYSA-N -1 3 231.255 2.170 20 0 BEADHM COc1cnnc(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244495810 1169772560 /nfs/dbraw/zinc/77/25/60/1169772560.db2.gz JXVCUGNTBRZTHG-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM Cc1cc(-c2ncc3nc[nH]c3n2)cc([O-])c1F ZINC001244495647 1169772872 /nfs/dbraw/zinc/77/28/72/1169772872.db2.gz GRUMAXFVTCBMBY-UHFFFAOYSA-N -1 3 244.229 2.125 20 0 BEADHM C[C@@H](Cc1ccco1)NCc1cc(C(=O)[O-])co1 ZINC000228161351 959995836 /nfs/dbraw/zinc/99/58/36/959995836.db2.gz BQQQIOIINNRFBR-VIFPVBQESA-N -1 3 249.266 2.292 20 0 BEADHM O=C([O-])c1ccc(CN2CC3CCC2CC3)o1 ZINC000310555479 960187107 /nfs/dbraw/zinc/18/71/07/960187107.db2.gz YCWXBYRMQLQMIT-UHFFFAOYSA-N -1 3 235.283 2.352 20 0 BEADHM Cc1ncc(Nc2ccc(C(=O)[O-])c(C)c2)n1C ZINC001211654952 960500901 /nfs/dbraw/zinc/50/09/01/960500901.db2.gz GNZNEGYBQUSPFC-UHFFFAOYSA-N -1 3 245.282 2.479 20 0 BEADHM CCCC(=O)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001144041034 972511095 /nfs/dbraw/zinc/51/10/95/972511095.db2.gz VHRLTSIVLUGNPN-UHFFFAOYSA-N -1 3 241.674 2.353 20 0 BEADHM O=C(/C=C/c1ccoc1)Nc1cncc([O-])c1 ZINC001142256788 961378317 /nfs/dbraw/zinc/37/83/17/961378317.db2.gz IDJYTZZXTGLWOB-OWOJBTEDSA-N -1 3 230.223 2.032 20 0 BEADHM O=C(/C=C/c1ccoc1)Nc1ncccc1[O-] ZINC001142257542 961382065 /nfs/dbraw/zinc/38/20/65/961382065.db2.gz UHWIZJJXMLLLNJ-ONEGZZNKSA-N -1 3 230.223 2.032 20 0 BEADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCC=CO1 ZINC001151092269 962245468 /nfs/dbraw/zinc/24/54/68/962245468.db2.gz DQJWXCWQRBUJJH-SNVBAGLBSA-N -1 3 237.230 2.163 20 0 BEADHM CC(C)(C)O[N-]C(=O)CC[C@@H]1CCCCO1 ZINC000134228279 962751192 /nfs/dbraw/zinc/75/11/92/962751192.db2.gz PPOTVNDLTHXLDM-JTQLQIEISA-N -1 3 229.320 2.182 20 0 BEADHM O=C([N-]c1cnoc1)c1cc2cc(O)ccc2o1 ZINC001155664020 963149671 /nfs/dbraw/zinc/14/96/71/963149671.db2.gz IZIUWDIOCJRJGK-UHFFFAOYSA-N -1 3 244.206 2.379 20 0 BEADHM Cc1cnc(F)c([C@@H](C)Oc2cnc[n-]c2=O)c1 ZINC001227050900 963444717 /nfs/dbraw/zinc/44/47/17/963444717.db2.gz DOKUMNGJYNQFGT-MRVPVSSYSA-N -1 3 249.245 2.165 20 0 BEADHM C[C@@H]1CC[C@@H](C)[C@@H](Oc2ccc(=O)[n-]n2)C1 ZINC001227094610 963454302 /nfs/dbraw/zinc/45/43/02/963454302.db2.gz IPZHCCBRTIYWGF-BBBLOLIVSA-N -1 3 222.288 2.386 20 0 BEADHM C[C@H](N[C@@H]1CC[C@@H]1C)c1ncc(C(=O)[O-])s1 ZINC000314759474 963805543 /nfs/dbraw/zinc/80/55/43/963805543.db2.gz GQFBLUDGQUJTAH-BIIVOSGPSA-N -1 3 240.328 2.290 20 0 BEADHM COc1cc(C)cc(NCc2ncccc2[O-])n1 ZINC001158774896 963923929 /nfs/dbraw/zinc/92/39/29/963923929.db2.gz UZDMVEBLMZJAIA-UHFFFAOYSA-N -1 3 245.282 2.111 20 0 BEADHM Cc1ncc(Nc2ccc3c(c2)OCC3)c(=O)[n-]1 ZINC001206672059 964172955 /nfs/dbraw/zinc/17/29/55/964172955.db2.gz KWVBAMVGPZYPAU-UHFFFAOYSA-N -1 3 243.266 2.169 20 0 BEADHM CC(C)(Nc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001162517649 965016197 /nfs/dbraw/zinc/01/61/97/965016197.db2.gz AMFFKKHMOJWGRN-UHFFFAOYSA-N -1 3 243.314 2.467 20 0 BEADHM CC(C)(Nc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001162517649 965016207 /nfs/dbraw/zinc/01/62/07/965016207.db2.gz AMFFKKHMOJWGRN-UHFFFAOYSA-N -1 3 243.314 2.467 20 0 BEADHM Cc1cnccc1CNc1ccc(=S)[n-]n1 ZINC001162715976 965141119 /nfs/dbraw/zinc/14/11/19/965141119.db2.gz SMUHQNMTQTZGOZ-UHFFFAOYSA-N -1 3 232.312 2.081 20 0 BEADHM O=C1CC(CNc2ccc3c(c2)[N-]C(=S)C3)C1 ZINC001168396596 965153292 /nfs/dbraw/zinc/15/32/92/965153292.db2.gz XTWZRQMODAXZLA-UHFFFAOYSA-N -1 3 246.335 2.373 20 0 BEADHM CC[C@H]1CC[C@H](C)N1c1nc(C)cc(=O)[n-]1 ZINC001120829497 965427846 /nfs/dbraw/zinc/42/78/46/965427846.db2.gz BRVDYHCDPMEZBW-UWVGGRQHSA-N -1 3 221.304 2.258 20 0 BEADHM CC[C@H]1CC[C@@H](C)N1c1nc(C)cc(=O)[n-]1 ZINC001120829499 965427252 /nfs/dbraw/zinc/42/72/52/965427252.db2.gz BRVDYHCDPMEZBW-ZJUUUORDSA-N -1 3 221.304 2.258 20 0 BEADHM C[C@H](Oc1cccc([O-])c1F)c1cnccn1 ZINC001233872368 965603865 /nfs/dbraw/zinc/60/38/65/965603865.db2.gz TZZAKNQZDWWYQW-QMMMGPOBSA-N -1 3 234.230 2.461 20 0 BEADHM Cc1ccc(C(=O)NN2CCCC[C@H]2C)c([O-])c1 ZINC001163967728 965664965 /nfs/dbraw/zinc/66/49/65/965664965.db2.gz OYNGDXQMSWBZMU-LLVKDONJSA-N -1 3 248.326 2.220 20 0 BEADHM Cc1ccc(O)cc1Nc1cnc(C)[n-]c1=O ZINC001214343511 966496191 /nfs/dbraw/zinc/49/61/91/966496191.db2.gz VSRUJQANHOSLCR-UHFFFAOYSA-N -1 3 231.255 2.248 20 0 BEADHM COC(=O)c1nc2nc(-c3ccoc3)ccc2[n-]1 ZINC001239690867 967087720 /nfs/dbraw/zinc/08/77/20/967087720.db2.gz SVRFHGWYHXJYNI-UHFFFAOYSA-N -1 3 243.222 2.005 20 0 BEADHM COC(=O)c1nc2ccc(-c3ccoc3)[n-]c-2n1 ZINC001239690867 967087735 /nfs/dbraw/zinc/08/77/35/967087735.db2.gz SVRFHGWYHXJYNI-UHFFFAOYSA-N -1 3 243.222 2.005 20 0 BEADHM COc1nonc1[N-]c1cnc2[nH]c(C)cc2c1 ZINC001204896266 967219740 /nfs/dbraw/zinc/21/97/40/967219740.db2.gz JUWIUKDWURVEKP-UHFFFAOYSA-N -1 3 245.242 2.007 20 0 BEADHM Cc1nc(Nc2c(O)cccc2F)cc(=O)[n-]1 ZINC001249989357 967233897 /nfs/dbraw/zinc/23/38/97/967233897.db2.gz QXGXPFYEZPOFLS-UHFFFAOYSA-N -1 3 235.218 2.079 20 0 BEADHM COCCOCc1c([O-])cccc1Cl ZINC001250004924 967264177 /nfs/dbraw/zinc/26/41/77/967264177.db2.gz AMPUGQDSSVVMGZ-UHFFFAOYSA-N -1 3 216.664 2.209 20 0 BEADHM CC(C)OC(=O)Cc1cccc(F)c1[O-] ZINC001250086687 967353096 /nfs/dbraw/zinc/35/30/96/967353096.db2.gz XXCSZBNJCPNFMM-UHFFFAOYSA-N -1 3 212.220 2.025 20 0 BEADHM COC(=O)CCCc1ccc(F)cc1[O-] ZINC001250147341 967436971 /nfs/dbraw/zinc/43/69/71/967436971.db2.gz NNMULYFASIIRFV-UHFFFAOYSA-N -1 3 212.220 2.027 20 0 BEADHM Cc1nc(COC(=O)c2ccc([O-])cc2)oc1C ZINC000140548945 967540530 /nfs/dbraw/zinc/54/05/30/967540530.db2.gz OZTLOCYVHJKPKM-UHFFFAOYSA-N -1 3 247.250 2.354 20 0 BEADHM [O-]c1c(F)cc(F)cc1CCn1ccnc1 ZINC001250318358 967686431 /nfs/dbraw/zinc/68/64/31/967686431.db2.gz DTFOSPNQHMZGAL-UHFFFAOYSA-N -1 3 224.210 2.110 20 0 BEADHM COC1CCC(CC(=O)[N-]OC(C)C)CC1 ZINC001117796103 967785054 /nfs/dbraw/zinc/78/50/54/967785054.db2.gz AATMMVANVMUGDN-UHFFFAOYSA-N -1 3 229.320 2.038 20 0 BEADHM Cc1ccnc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001250456237 967882153 /nfs/dbraw/zinc/88/21/53/967882153.db2.gz YPFFXGPPAYJBQB-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1ccnc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001250456237 967882154 /nfs/dbraw/zinc/88/21/54/967882154.db2.gz YPFFXGPPAYJBQB-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM [O-]c1cccc(F)c1-c1ccnc2ccnn21 ZINC001250481823 967928379 /nfs/dbraw/zinc/92/83/79/967928379.db2.gz JKNVVVRATAMFNZ-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cc1nc(-c2ccc([O-])cc2F)cc(N(C)C)n1 ZINC001206021064 967971217 /nfs/dbraw/zinc/97/12/17/967971217.db2.gz DEHPJGMRCAFJRB-UHFFFAOYSA-N -1 3 247.273 2.363 20 0 BEADHM Cc1cc(-c2ccc([O-])cc2F)ncn1 ZINC001206021481 967973342 /nfs/dbraw/zinc/97/33/42/967973342.db2.gz OQULQHHLTZCPPP-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM COc1nonc1[N-]c1cnc2[nH]cc(C)c2c1 ZINC001206020428 967975733 /nfs/dbraw/zinc/97/57/33/967975733.db2.gz KERVHIKHJVDZHC-UHFFFAOYSA-N -1 3 245.242 2.007 20 0 BEADHM Nc1cccnc1-c1ccc([O-])cc1F ZINC001206021631 967976341 /nfs/dbraw/zinc/97/63/41/967976341.db2.gz QDWQYULOVSUSRU-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM Cc1cnnc(-c2ccc([O-])cc2F)c1 ZINC001206021838 967979752 /nfs/dbraw/zinc/97/97/52/967979752.db2.gz QLZWTAZGCLEBJI-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Cn1ccc2ncnc(-c3ccc([O-])cc3F)c21 ZINC001206030447 967991361 /nfs/dbraw/zinc/99/13/61/967991361.db2.gz XHAIUDWKIZLYDH-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM COCc1cc(-c2ccc([O-])cc2F)nc(C)n1 ZINC001206030454 967992411 /nfs/dbraw/zinc/99/24/11/967992411.db2.gz XNOBBYVBTOGXMX-UHFFFAOYSA-N -1 3 248.257 2.443 20 0 BEADHM O=C1Cc2cnc(-c3ccc([O-])cc3F)cc2N1 ZINC001206038067 968002830 /nfs/dbraw/zinc/00/28/30/968002830.db2.gz RBLRQXKRBABSJC-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM [O-]c1ccc(-c2ccc3ncnn3c2F)c(F)c1 ZINC001206087993 968056900 /nfs/dbraw/zinc/05/69/00/968056900.db2.gz FXPTYKXUWIAIPD-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM Nc1ccccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001206309229 968215783 /nfs/dbraw/zinc/21/57/83/968215783.db2.gz UHKVSXQXCLEYDU-UHFFFAOYSA-N -1 3 242.282 2.385 20 0 BEADHM O=c1[nH]cccc1Nc1ncc(Cl)cc1[O-] ZINC001206430182 968299090 /nfs/dbraw/zinc/29/90/90/968299090.db2.gz BXDRXDJPRMSYMG-UHFFFAOYSA-N -1 3 237.646 2.285 20 0 BEADHM CC[C@@H](CNCc1nc2ccccc2o1)C(=O)[O-] ZINC001120087043 968534222 /nfs/dbraw/zinc/53/42/22/968534222.db2.gz BOJLBZQENBYPOS-VIFPVBQESA-N -1 3 248.282 2.028 20 0 BEADHM COc1cc(-c2ccc(=S)[n-]n2)ccc1O ZINC001240612706 968572618 /nfs/dbraw/zinc/57/26/18/968572618.db2.gz MXNFHAWBJRKPNQ-UHFFFAOYSA-N -1 3 234.280 2.147 20 0 BEADHM [O-]c1ccc(F)cc1-c1nccc2[nH]cnc21 ZINC001240694171 968642842 /nfs/dbraw/zinc/64/28/42/968642842.db2.gz PNKBAOQJCATFNS-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM COC(=O)c1ccncc1-c1ccc([O-])c(F)c1 ZINC001240785539 968686644 /nfs/dbraw/zinc/68/66/44/968686644.db2.gz DLKJCLKRPSQAMO-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM CCn1ccc(-c2ccc([O-])c(F)c2)cc1=O ZINC001240789784 968690986 /nfs/dbraw/zinc/69/09/86/968690986.db2.gz DXIYJJNPKAGMAG-UHFFFAOYSA-N -1 3 233.242 2.380 20 0 BEADHM CC(C)S(=O)(=O)[N-]c1ncccc1C1CC1 ZINC001252438441 968691070 /nfs/dbraw/zinc/69/10/70/968691070.db2.gz FSHHZXHCQNBLPU-UHFFFAOYSA-N -1 3 240.328 2.109 20 0 BEADHM Cc1nc(NCCC(C)(C)F)cc(=O)[n-]1 ZINC000829342874 968830334 /nfs/dbraw/zinc/83/03/34/968830334.db2.gz LWMMQIFGAITBNG-UHFFFAOYSA-N -1 3 213.256 2.041 20 0 BEADHM [O-]c1ccccc1-c1cncc(N2CCCC2)n1 ZINC001241008186 968855464 /nfs/dbraw/zinc/85/54/64/968855464.db2.gz NCPGFBFECAYORV-UHFFFAOYSA-N -1 3 241.294 2.449 20 0 BEADHM Cc1cccc([O-])c1C(=O)Nc1cccnc1F ZINC000706614465 968956999 /nfs/dbraw/zinc/95/69/99/968956999.db2.gz TZJXOKMYRACJDG-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Fc1ccc(-c2nnn[n-]2)cc1-c1cncs1 ZINC001241501279 969016565 /nfs/dbraw/zinc/01/65/65/969016565.db2.gz XKAKHYJAAOLXFK-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM Fc1ccc(-c2nn[n-]n2)cc1-c1cncs1 ZINC001241501279 969016572 /nfs/dbraw/zinc/01/65/72/969016572.db2.gz XKAKHYJAAOLXFK-UHFFFAOYSA-N -1 3 247.258 2.129 20 0 BEADHM Cc1cccc(CO[N-]C(=O)C[C@@H]2C=CCC2)n1 ZINC001331885679 969097467 /nfs/dbraw/zinc/09/74/67/969097467.db2.gz IUDIMEZPSVETSL-GFCCVEGCSA-N -1 3 246.310 2.294 20 0 BEADHM O[C@@H](CN[C@H]1[CH]CC=C1)c1ccc(F)c(F)c1 ZINC001253377876 969144694 /nfs/dbraw/zinc/14/46/94/969144694.db2.gz AFTHWFSHACAEJE-MFKMUULPSA-N -1 3 238.257 2.121 20 0 BEADHM c1ccc(-c2nnn[n-]2)c(NCCC2CCC2)c1 ZINC001168889297 969248227 /nfs/dbraw/zinc/24/82/27/969248227.db2.gz GEAAAFLXLPULDJ-UHFFFAOYSA-N -1 3 243.314 2.469 20 0 BEADHM c1ccc(-c2nn[n-]n2)c(NCCC2CCC2)c1 ZINC001168889297 969248230 /nfs/dbraw/zinc/24/82/30/969248230.db2.gz GEAAAFLXLPULDJ-UHFFFAOYSA-N -1 3 243.314 2.469 20 0 BEADHM CC(C)(C)[C@@H](O)CNc1ccc(F)c(F)c1[O-] ZINC001253734663 969357621 /nfs/dbraw/zinc/35/76/21/969357621.db2.gz GYURWYRNAQAPEO-VIFPVBQESA-N -1 3 245.269 2.489 20 0 BEADHM CC(C)[C@@H](O)CNc1ccc(F)c(F)c1[O-] ZINC001253773476 969394524 /nfs/dbraw/zinc/39/45/24/969394524.db2.gz FZZMOQDDLRLUEI-VIFPVBQESA-N -1 3 231.242 2.099 20 0 BEADHM CCCc1nnc(-c2cc(O)ccc2[O-])o1 ZINC001254026495 969451633 /nfs/dbraw/zinc/45/16/33/969451633.db2.gz SDLNNPJLIXECLP-UHFFFAOYSA-N -1 3 220.228 2.100 20 0 BEADHM Cc1c2[nH]cnc2ccc1NCc1cc(=O)[n-]o1 ZINC001169485686 969670352 /nfs/dbraw/zinc/67/03/52/969670352.db2.gz VPNUDONCSHVIQI-UHFFFAOYSA-N -1 3 244.254 2.177 20 0 BEADHM Nc1ccc2cn(-c3ccc(F)cc3[O-])nc2c1 ZINC001210019013 969759803 /nfs/dbraw/zinc/75/98/03/969759803.db2.gz XABODKWRFJMVCB-UHFFFAOYSA-N -1 3 243.241 2.452 20 0 BEADHM Nc1cccc2cn(-c3ccc(F)cc3[O-])nc21 ZINC001210018087 969760143 /nfs/dbraw/zinc/76/01/43/969760143.db2.gz GERJLCNWTFWYSN-UHFFFAOYSA-N -1 3 243.241 2.452 20 0 BEADHM Cc1cc2n[nH]cc2cc1Nc1cnc[n-]c1=O ZINC001210101223 969800018 /nfs/dbraw/zinc/80/00/18/969800018.db2.gz DZMSTCMKGOXHFN-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM Cc1ncc(Nc2cccc(F)c2O)c(=O)[n-]1 ZINC001210197048 969828671 /nfs/dbraw/zinc/82/86/71/969828671.db2.gz MJTHUUPBONBVNX-UHFFFAOYSA-N -1 3 235.218 2.079 20 0 BEADHM O=c1[n-]cncc1Nc1cccc2ccncc21 ZINC001210224506 969838154 /nfs/dbraw/zinc/83/81/54/969838154.db2.gz QKRGMHVEAUKVHE-UHFFFAOYSA-N -1 3 238.250 2.474 20 0 BEADHM Cc1cc(Nc2cc(=O)[n-]c(C)n2)c(C)o1 ZINC001210279117 969847458 /nfs/dbraw/zinc/84/74/58/969847458.db2.gz KANHMESFTCPECH-UHFFFAOYSA-N -1 3 219.244 2.444 20 0 BEADHM Cn1ccc([N-]c2cc(C3CCC3)no2)n1 ZINC001210347673 969873502 /nfs/dbraw/zinc/87/35/02/969873502.db2.gz HPQJUZMDVZTJNT-UHFFFAOYSA-N -1 3 218.260 2.419 20 0 BEADHM [O-]c1cc(F)cnc1Nc1cccc2c1OCO2 ZINC001210558142 969942356 /nfs/dbraw/zinc/94/23/56/969942356.db2.gz IVXCTHLHDPMUPD-UHFFFAOYSA-N -1 3 248.213 2.399 20 0 BEADHM CCCC[C@@H](C)[NH2+]CCCCP(=O)([O-])[O-] ZINC001255314290 970083908 /nfs/dbraw/zinc/08/39/08/970083908.db2.gz HDRNFERYEFGTER-SNVBAGLBSA-N -1 3 237.280 2.113 20 0 BEADHM Cn1nc([N-]c2nccs2)c2cccnc21 ZINC001210989680 970100884 /nfs/dbraw/zinc/10/08/84/970100884.db2.gz 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20 0 BEADHM Cc1occc1Nc1cnc(C)[n-]c1=O ZINC001211238620 970181812 /nfs/dbraw/zinc/18/18/12/970181812.db2.gz AQMOLXDBOJIRSL-UHFFFAOYSA-N -1 3 205.217 2.136 20 0 BEADHM COC(=O)c1ncccc1-c1ccc(F)c([O-])c1 ZINC001243049392 970206762 /nfs/dbraw/zinc/20/67/62/970206762.db2.gz MWXVQULARLLGKH-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM Cn1ccc2c1ncnc2-c1ccc(F)c([O-])c1 ZINC001243050288 970207743 /nfs/dbraw/zinc/20/77/43/970207743.db2.gz WMXATTBTKDEEMH-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM NCc1cc(-c2cc(F)c([O-])cc2F)ccn1 ZINC001211352202 970246070 /nfs/dbraw/zinc/24/60/70/970246070.db2.gz ITMMVURFMLWEDH-UHFFFAOYSA-N -1 3 236.221 2.191 20 0 BEADHM Clc1cc(-c2nc(-c3ccccn3)no2)[n-]n1 ZINC001213500623 970325383 /nfs/dbraw/zinc/32/53/83/970325383.db2.gz LPTLZJCFXOSVOW-UHFFFAOYSA-N -1 3 247.645 2.175 20 0 BEADHM Cc1nnc([N-]c2ccc3cc[nH]c(=O)c3c2)o1 ZINC001213952478 970403621 /nfs/dbraw/zinc/40/36/21/970403621.db2.gz VCIWYCMGDTZWDY-UHFFFAOYSA-N -1 3 242.238 2.375 20 0 BEADHM Cc1cc(-c2ccc(CN)nc2)ccc1C(=O)[O-] ZINC001243214668 970415478 /nfs/dbraw/zinc/41/54/78/970415478.db2.gz LNYKBXIZEKBVHA-UHFFFAOYSA-N -1 3 242.278 2.214 20 0 BEADHM O=C(OCCC1CCC1)c1cccc2nn[n-]c21 ZINC001327476442 972586825 /nfs/dbraw/zinc/58/68/25/972586825.db2.gz NTXIGPDBFWHWFF-UHFFFAOYSA-N -1 3 245.282 2.305 20 0 BEADHM O=C(OCCC1CCC1)c1cccc2[n-]nnc21 ZINC001327476442 972586833 /nfs/dbraw/zinc/58/68/33/972586833.db2.gz NTXIGPDBFWHWFF-UHFFFAOYSA-N -1 3 245.282 2.305 20 0 BEADHM O=C(OCCC1CCC1)c1cccc2n[n-]nc21 ZINC001327476442 972586840 /nfs/dbraw/zinc/58/68/40/972586840.db2.gz NTXIGPDBFWHWFF-UHFFFAOYSA-N -1 3 245.282 2.305 20 0 BEADHM Cc1oc(C(=O)[O-])cc1CNCCC(F)F ZINC000393782955 972640330 /nfs/dbraw/zinc/64/03/30/972640330.db2.gz QZNUXAIBLHRLCO-UHFFFAOYSA-N -1 3 233.214 2.031 20 0 BEADHM C[C@@]1(C(=O)Nc2ncccc2[O-])C[C@@H]2C=C[C@H]1C2 ZINC001144273910 972734371 /nfs/dbraw/zinc/73/43/71/972734371.db2.gz VLTYNCQUOZAVPU-ISTVAULSSA-N -1 3 244.294 2.328 20 0 BEADHM 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ZINC001212718585 975231566 /nfs/dbraw/zinc/23/15/66/975231566.db2.gz PMKUBFUJHNNVPX-UHFFFAOYSA-N -1 3 232.243 2.100 20 0 BEADHM C[C@H](Oc1cnc[n-]c1=O)c1ccccc1F ZINC001227049795 975238128 /nfs/dbraw/zinc/23/81/28/975238128.db2.gz XFKQSHUEAGDQHI-QMMMGPOBSA-N -1 3 234.230 2.461 20 0 BEADHM CCO[C@H](C)COc1[n-]c(=S)ncc1CC ZINC001227061470 975248809 /nfs/dbraw/zinc/24/88/09/975248809.db2.gz JHERGIHPNDNUAV-MRVPVSSYSA-N -1 3 242.344 2.132 20 0 BEADHM CCOC[C@H](C)Oc1[n-]c(=S)ncc1CC ZINC001227062340 975249219 /nfs/dbraw/zinc/24/92/19/975249219.db2.gz UEJQBQQIOGWDDB-QMMMGPOBSA-N -1 3 242.344 2.132 20 0 BEADHM C[C@@H](COc1ccc(=O)[n-]n1)Oc1ccccc1 ZINC001227093291 975263500 /nfs/dbraw/zinc/26/35/00/975263500.db2.gz KQTKAFHTSSBEEJ-JTQLQIEISA-N -1 3 246.266 2.029 20 0 BEADHM CC[C@H](Oc1ccc(=O)[n-]n1)C(C)(C)C ZINC001227094465 975267275 /nfs/dbraw/zinc/26/72/75/975267275.db2.gz GBCSZWGAMFJSPZ-QMMMGPOBSA-N -1 3 210.277 2.386 20 0 BEADHM C[C@@H]1CC[C@H](Oc2ccc(=O)[n-]n2)C[C@@H]1C ZINC001227095225 975268738 /nfs/dbraw/zinc/26/87/38/975268738.db2.gz OZIWWAQTAVIKRT-UTLUCORTSA-N -1 3 222.288 2.386 20 0 BEADHM C[C@H](Oc1ccc(=O)[n-]n1)c1ccccc1 ZINC001227095180 975269009 /nfs/dbraw/zinc/26/90/09/975269009.db2.gz OAUOFQWHOAQYEO-VIFPVBQESA-N -1 3 216.240 2.322 20 0 BEADHM C[C@@H](COc1ccccc1)Oc1ccc(=O)[n-]n1 ZINC001227094212 975269697 /nfs/dbraw/zinc/26/96/97/975269697.db2.gz CLYJNXTYVICQKV-JTQLQIEISA-N -1 3 246.266 2.029 20 0 BEADHM C[C@@H]1CC[C@H](Oc2ccc(=O)[n-]n2)C[C@H]1C ZINC001227095218 975269756 /nfs/dbraw/zinc/26/97/56/975269756.db2.gz OZIWWAQTAVIKRT-BBBLOLIVSA-N -1 3 222.288 2.386 20 0 BEADHM CC(C)[C@@H](C)OC(=O)c1cccc2nn[n-]c21 ZINC001333217430 975568496 /nfs/dbraw/zinc/56/84/96/975568496.db2.gz WMBYMHJBBZINRH-MRVPVSSYSA-N -1 3 233.271 2.159 20 0 BEADHM CC(C)[C@@H](C)OC(=O)c1cccc2[n-]nnc21 ZINC001333217430 975568509 /nfs/dbraw/zinc/56/85/09/975568509.db2.gz WMBYMHJBBZINRH-MRVPVSSYSA-N -1 3 233.271 2.159 20 0 BEADHM CC(C)[C@@H](C)OC(=O)c1cccc2n[n-]nc21 ZINC001333217430 975568524 /nfs/dbraw/zinc/56/85/24/975568524.db2.gz WMBYMHJBBZINRH-MRVPVSSYSA-N -1 3 233.271 2.159 20 0 BEADHM COc1nonc1[N-]c1ccccc1C ZINC001173815339 975570935 /nfs/dbraw/zinc/57/09/35/975570935.db2.gz NRSIWHXNJQYEGY-UHFFFAOYSA-N -1 3 205.217 2.130 20 0 BEADHM O=c1cc(OC2CC2)[n-]c(C(F)(F)F)c1 ZINC001227587345 975572613 /nfs/dbraw/zinc/57/26/13/975572613.db2.gz SDJCWQZSKPLXLC-UHFFFAOYSA-N -1 3 219.162 2.347 20 0 BEADHM S=c1nc2nc[n-]c2c(O[C@H]2C=CCCC2)[nH]1 ZINC001227613468 975582499 /nfs/dbraw/zinc/58/24/99/975582499.db2.gz VFZAWXNPHDFKNO-ZETCQYMHSA-N -1 3 248.311 2.129 20 0 BEADHM C=Cc1c[n-]c(=O)nc1O[C@H]1CC[C@@H](C)C1 ZINC001227714577 975635166 /nfs/dbraw/zinc/63/51/66/975635166.db2.gz YNDCMDPHYDNDNS-SCZZXKLOSA-N -1 3 220.272 2.393 20 0 BEADHM CCC[C@H](C)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227820477 975714535 /nfs/dbraw/zinc/71/45/35/975714535.db2.gz WDZPPARYJBZYTM-QMMMGPOBSA-N -1 3 239.271 2.141 20 0 BEADHM O=c1[n-]cncc1Nc1ccccc1F ZINC001173845363 975732507 /nfs/dbraw/zinc/73/25/07/975732507.db2.gz VRMXYQJCKQHVNK-UHFFFAOYSA-N -1 3 205.192 2.065 20 0 BEADHM COc1ccc(Nc2cnc(C)[n-]c2=O)cc1F ZINC001173862683 975805554 /nfs/dbraw/zinc/80/55/54/975805554.db2.gz CEJLITNNIJCXGX-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM COc1nonc1[N-]c1c(C)cccc1C ZINC001173873146 975829437 /nfs/dbraw/zinc/82/94/37/975829437.db2.gz HORCJGCFXPLKJV-UHFFFAOYSA-N -1 3 219.244 2.439 20 0 BEADHM COc1ccc(F)cc1Nc1cnc(C)[n-]c1=O ZINC001173955265 975995507 /nfs/dbraw/zinc/99/55/07/975995507.db2.gz IVWYMBLGEABDRX-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM Cc1cc(F)ccc1Nc1cnc[n-]c1=O ZINC001173966962 976015786 /nfs/dbraw/zinc/01/57/86/976015786.db2.gz UMWGRXZVVDSUFQ-UHFFFAOYSA-N -1 3 219.219 2.373 20 0 BEADHM COc1cccc(Nc2cnc[n-]c2=O)c1F ZINC001173971131 976018018 /nfs/dbraw/zinc/01/80/18/976018018.db2.gz KCHPEPBXNXSGOC-UHFFFAOYSA-N -1 3 235.218 2.074 20 0 BEADHM CCc1ccccc1[N-]c1nonc1OC ZINC001173968496 976029662 /nfs/dbraw/zinc/02/96/62/976029662.db2.gz UTGRIAATQSPMEV-UHFFFAOYSA-N -1 3 219.244 2.384 20 0 BEADHM COc1ccc(F)cc1[N-]c1nonc1C ZINC001173954762 976122091 /nfs/dbraw/zinc/12/20/91/976122091.db2.gz HOVLXMVYRYBXIW-UHFFFAOYSA-N -1 3 223.207 2.269 20 0 BEADHM Cc1nn(C)c(C)c1Nc1ncc(F)cc1[O-] ZINC001174226338 976425092 /nfs/dbraw/zinc/42/50/92/976425092.db2.gz YWIZIQAHHBHJEA-UHFFFAOYSA-N -1 3 236.250 2.020 20 0 BEADHM CC(C)(O)c1cccc(Nc2cnc[n-]c2=O)c1 ZINC001174405996 976691997 /nfs/dbraw/zinc/69/19/97/976691997.db2.gz GWYQMGVAXGLYNI-UHFFFAOYSA-N -1 3 245.282 2.153 20 0 BEADHM Cc1ncc(Nc2ccc3cn[nH]c3c2)c(=O)[n-]1 ZINC001174499437 976725516 /nfs/dbraw/zinc/72/55/16/976725516.db2.gz WASBRFICOGXGIC-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM Cc1ncc(Nc2ccc3c[nH]nc3c2)c(=O)[n-]1 ZINC001174499437 976725524 /nfs/dbraw/zinc/72/55/24/976725524.db2.gz WASBRFICOGXGIC-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM Cc1sccc1Nc1cnc[n-]c1=O ZINC001174459506 976747341 /nfs/dbraw/zinc/74/73/41/976747341.db2.gz WYPNFOHNXXQKJA-UHFFFAOYSA-N -1 3 207.258 2.296 20 0 BEADHM Cc1n[nH]cc1Nc1ncc(Cl)cc1[O-] ZINC001174470819 976776064 /nfs/dbraw/zinc/77/60/64/976776064.db2.gz WJKBELNCBRYKMQ-UHFFFAOYSA-N -1 3 224.651 2.216 20 0 BEADHM Cc1cc(O)ccc1Nc1cnc(C)[n-]c1=O ZINC001174564280 976879822 /nfs/dbraw/zinc/87/98/22/976879822.db2.gz ISHLZUFQLXVMJL-UHFFFAOYSA-N -1 3 231.255 2.248 20 0 BEADHM Cc1nc(Nc2cc(F)ccc2O)cc(=O)[n-]1 ZINC001174627166 976898815 /nfs/dbraw/zinc/89/88/15/976898815.db2.gz PSALHAQIPDLNCU-UHFFFAOYSA-N -1 3 235.218 2.079 20 0 BEADHM Cc1cnc(NC(=O)c2cc(C)ccc2[O-])o1 ZINC001335289392 976933007 /nfs/dbraw/zinc/93/30/07/976933007.db2.gz WZNLXCRPAPEXQX-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM C[C@@H]1CC[C@@H](Oc2ccccc2-c2nnn[n-]2)C1 ZINC001229955073 977041343 /nfs/dbraw/zinc/04/13/43/977041343.db2.gz SNEVMHLTQRDNDU-NXEZZACHSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@@H]1CC[C@@H](Oc2ccccc2-c2nn[n-]n2)C1 ZINC001229955073 977041352 /nfs/dbraw/zinc/04/13/52/977041352.db2.gz SNEVMHLTQRDNDU-NXEZZACHSA-N -1 3 244.298 2.434 20 0 BEADHM COc1nonc1[N-]c1ccc2cc[nH]c2c1 ZINC001174747790 977043940 /nfs/dbraw/zinc/04/39/40/977043940.db2.gz ZDQHNDQIWHJDAC-UHFFFAOYSA-N -1 3 230.227 2.303 20 0 BEADHM CCOC(=O)c1cnoc1[N-]c1cncc(C)c1 ZINC001174755227 977054338 /nfs/dbraw/zinc/05/43/38/977054338.db2.gz IJZBNBYMPFMSBP-UHFFFAOYSA-N -1 3 247.254 2.298 20 0 BEADHM COCc1ccc(Nc2cnc(C)[n-]c2=O)cc1 ZINC001174919865 977165162 /nfs/dbraw/zinc/16/51/62/977165162.db2.gz OXIQRUIUHOUAHT-UHFFFAOYSA-N -1 3 245.282 2.381 20 0 BEADHM COc1cc(F)c([N-]c2nonc2C)cc1F ZINC001174923867 977170646 /nfs/dbraw/zinc/17/06/46/977170646.db2.gz QCCGOAZQFQPJJC-UHFFFAOYSA-N -1 3 241.197 2.408 20 0 BEADHM COc1cccc(F)c1Nc1cnc(C)[n-]c1=O ZINC001174992380 977197056 /nfs/dbraw/zinc/19/70/56/977197056.db2.gz FVMCBMLKAQFKJD-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM COc1cc(Nc2cnc[n-]c2=O)ccc1C ZINC001175014209 977212801 /nfs/dbraw/zinc/21/28/01/977212801.db2.gz LASPULYKTLVFNQ-UHFFFAOYSA-N -1 3 231.255 2.243 20 0 BEADHM O=c1[n-]cncc1Nc1c(F)ccc(F)c1F ZINC001175028699 977224382 /nfs/dbraw/zinc/22/43/82/977224382.db2.gz USCJGSWSKPRCRP-UHFFFAOYSA-N -1 3 241.172 2.343 20 0 BEADHM [O-]c1cc(F)c(Nc2ncccn2)c(F)c1 ZINC001175093871 977264643 /nfs/dbraw/zinc/26/46/43/977264643.db2.gz LGADTJJNCMWYQO-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM CCOc1cccc(Nc2cnc[n-]c2=O)c1 ZINC001175092796 977266939 /nfs/dbraw/zinc/26/69/39/977266939.db2.gz YAMSUVBUWQJWJQ-UHFFFAOYSA-N -1 3 231.255 2.325 20 0 BEADHM O=C(CCc1cscn1)[N-]Oc1ccccc1 ZINC000773462640 977276071 /nfs/dbraw/zinc/27/60/71/977276071.db2.gz VZTNMMUOMGSALB-UHFFFAOYSA-N -1 3 248.307 2.186 20 0 BEADHM Cc1cc(Nc2cnc[n-]c2=O)ccc1F ZINC001175253969 977357984 /nfs/dbraw/zinc/35/79/84/977357984.db2.gz YLKAFAAJPOHVEU-UHFFFAOYSA-N -1 3 219.219 2.373 20 0 BEADHM Nc1cccnc1Nc1c(F)ccc([O-])c1F ZINC001175262042 977363416 /nfs/dbraw/zinc/36/34/16/977363416.db2.gz YWWCNCKERDPOAF-UHFFFAOYSA-N -1 3 237.209 2.391 20 0 BEADHM CCC[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074877 977463799 /nfs/dbraw/zinc/46/37/99/977463799.db2.gz ZPUOUUZWGOKPPD-SECBINFHSA-N -1 3 232.287 2.434 20 0 BEADHM CC(C)c1oncc1[N-]C(=O)c1coc(C=O)c1 ZINC001336053603 977465302 /nfs/dbraw/zinc/46/53/02/977465302.db2.gz PRRMKMQOQWRHSQ-UHFFFAOYSA-N -1 3 248.238 2.456 20 0 BEADHM C[C@@H]1CC[C@H](Oc2cccc(-c3nnn[n-]3)c2)C1 ZINC001231118815 977485743 /nfs/dbraw/zinc/48/57/43/977485743.db2.gz WZDGGEFJQWEDAZ-SKDRFNHKSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@@H]1CC[C@H](Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001231118815 977485763 /nfs/dbraw/zinc/48/57/63/977485763.db2.gz WZDGGEFJQWEDAZ-SKDRFNHKSA-N -1 3 244.298 2.434 20 0 BEADHM Cc1ccc([O-])c(CN2CC(F)(C3CC3)C2)n1 ZINC001231669297 977679030 /nfs/dbraw/zinc/67/90/30/977679030.db2.gz FYFGFWDJAYBRQJ-UHFFFAOYSA-N -1 3 236.290 2.030 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2CC=CCC2)n1 ZINC001336526987 977745868 /nfs/dbraw/zinc/74/58/68/977745868.db2.gz BWOOLAKNODLBBP-SECBINFHSA-N -1 3 205.261 2.011 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@H]2CCC(F)(F)C2)n1 ZINC001336560642 977780870 /nfs/dbraw/zinc/78/08/70/977780870.db2.gz HVIAXLVUKHMNFW-ZETCQYMHSA-N -1 3 229.230 2.090 20 0 BEADHM CCC(C)(C)OCCNc1nc(C)cc(=O)[n-]1 ZINC001336650269 977831252 /nfs/dbraw/zinc/83/12/52/977831252.db2.gz PNJAWBGYFUSEAV-UHFFFAOYSA-N -1 3 239.319 2.108 20 0 BEADHM O=C([O-])C1CC(N[C@@H]2C[C@]2(F)c2ccccc2)C1 ZINC001594899363 977873076 /nfs/dbraw/zinc/87/30/76/977873076.db2.gz CPHPSLHMXRFWLR-BQVYFXKUSA-N -1 3 249.285 2.077 20 0 BEADHM Cc1noc([N-][C@@H](C)c2ncccc2C)n1 ZINC001336772599 977942959 /nfs/dbraw/zinc/94/29/59/977942959.db2.gz GQGNPHYFWSPYRM-QMMMGPOBSA-N -1 3 218.260 2.255 20 0 BEADHM Cc1noc(C)c1[N-]c1nc(N)cnc1Cl ZINC001176178137 977979496 /nfs/dbraw/zinc/97/94/96/977979496.db2.gz ULXZMQUEGOXUKD-UHFFFAOYSA-N -1 3 239.666 2.061 20 0 BEADHM CS[C@H]1CC[C@@H](Nc2nc(C)cc(=O)[n-]2)C1 ZINC001337048212 978143417 /nfs/dbraw/zinc/14/34/17/978143417.db2.gz CABDAFLWRMLILC-BDAKNGLRSA-N -1 3 239.344 2.187 20 0 BEADHM [O-]c1cccc(CN2CC=CC2)c1Cl ZINC001232784851 978276398 /nfs/dbraw/zinc/27/63/98/978276398.db2.gz WMWUPJHISMDNTJ-UHFFFAOYSA-N -1 3 209.676 2.417 20 0 BEADHM [O-]c1cnc(Cl)cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001233038595 978422524 /nfs/dbraw/zinc/42/25/24/978422524.db2.gz WKPPEHITZACACJ-SCZZXKLOSA-N -1 3 238.718 2.425 20 0 BEADHM [O-]c1cccc(CN2CCC(F)CC2)c1F ZINC001233050812 978441752 /nfs/dbraw/zinc/44/17/52/978441752.db2.gz WDCPHSAPQWTLFU-UHFFFAOYSA-N -1 3 227.254 2.465 20 0 BEADHM CN(Cc1cccc([O-])c1F)[C@@H]1CCCOC1 ZINC001233055174 978450899 /nfs/dbraw/zinc/45/08/99/978450899.db2.gz MWBOUEIVHJXKIA-LLVKDONJSA-N -1 3 239.290 2.142 20 0 BEADHM CCO[C@H](C)COc1ccc2occ([O-])c2c1 ZINC001233680656 978672088 /nfs/dbraw/zinc/67/20/88/978672088.db2.gz MHJNMJWVYVMIIY-SECBINFHSA-N -1 3 236.267 2.066 20 0 BEADHM C[C@@H]1COCC[C@H]1Oc1ccc2occ([O-])c2c1 ZINC001233679212 978673022 /nfs/dbraw/zinc/67/30/22/978673022.db2.gz AGVODQIECDHOCR-NOZJJQNGSA-N -1 3 248.278 2.066 20 0 BEADHM CC1=C(Oc2cc([O-])cc(F)c2)C(=O)O[C@H]1C ZINC001233816519 978703882 /nfs/dbraw/zinc/70/38/82/978703882.db2.gz FSLSRDCTLGJCKZ-ZETCQYMHSA-N -1 3 238.214 2.129 20 0 BEADHM [O-]c1cccc(O[C@@H]2CCOC[C@H]2F)c1F ZINC001233869952 978708994 /nfs/dbraw/zinc/70/89/94/978708994.db2.gz PWLRDMRXPAXVPH-VXNVDRBHSA-N -1 3 230.210 2.037 20 0 BEADHM [O-]c1cccc(O[C@H]2CCn3ccnc32)c1F ZINC001233868086 978717729 /nfs/dbraw/zinc/71/77/29/978717729.db2.gz MRSKWIMAXSZXCT-JTQLQIEISA-N -1 3 234.230 2.252 20 0 BEADHM CCO[C@@H](C)COc1cccc([O-])c1F ZINC001233870521 978720937 /nfs/dbraw/zinc/72/09/37/978720937.db2.gz FJXKHXGLLXITCM-QMMMGPOBSA-N -1 3 214.236 2.335 20 0 BEADHM CC[C@@H](CC(=O)OC)Oc1cccc([O-])c1F ZINC001233872499 978720957 /nfs/dbraw/zinc/72/09/57/978720957.db2.gz VEOUEZLMIQKYSE-QMMMGPOBSA-N -1 3 242.246 2.252 20 0 BEADHM C=CC(=O)OC[C@@H](C)Oc1cccc([O-])c1F ZINC001233872494 978721251 /nfs/dbraw/zinc/72/12/51/978721251.db2.gz VDHGNQXFPNKPJP-MRVPVSSYSA-N -1 3 240.230 2.028 20 0 BEADHM CC1(C)C(C(=O)Nc2cncc([O-])c2)C1(C)C ZINC001179690347 978737819 /nfs/dbraw/zinc/73/78/19/978737819.db2.gz LOYVHGIGALBZIA-UHFFFAOYSA-N -1 3 234.299 2.408 20 0 BEADHM CCOCCc1cc(F)cc(F)c1[O-] ZINC001249942980 978741336 /nfs/dbraw/zinc/74/13/36/978741336.db2.gz RLPGDQRCXOSUTL-UHFFFAOYSA-N -1 3 202.200 2.249 20 0 BEADHM CN1CC[C@@H](Oc2c(Cl)ccc([O-])c2F)C1 ZINC001234264943 978807632 /nfs/dbraw/zinc/80/76/32/978807632.db2.gz ULEVQFOKRAVONZ-SSDOTTSWSA-N -1 3 245.681 2.268 20 0 BEADHM O=C([O-])[C@@H](CF)NCc1ccc2ccccc2c1 ZINC001601648902 978824882 /nfs/dbraw/zinc/82/48/82/978824882.db2.gz GTDCKHUIKGWXIF-CYBMUJFWSA-N -1 3 247.269 2.352 20 0 BEADHM [O-]c1cccc2[nH]c(OC[C@@H]3CCC=CO3)nc21 ZINC001234448380 978838388 /nfs/dbraw/zinc/83/83/88/978838388.db2.gz VICSEJSGQJQYCY-VIFPVBQESA-N -1 3 246.266 2.340 20 0 BEADHM C[C@@H]1C[C@@H](Oc2nc3c(cccc3[O-])[nH]2)CCO1 ZINC001234448689 978839451 /nfs/dbraw/zinc/83/94/51/978839451.db2.gz XQKJRDURTIJQAK-BDAKNGLRSA-N -1 3 248.282 2.215 20 0 BEADHM C[C@H](Oc1nc2c(cccc2[O-])[nH]1)C1CC1 ZINC001234449746 978839686 /nfs/dbraw/zinc/83/96/86/978839686.db2.gz RAISFSYPHAXNJY-ZETCQYMHSA-N -1 3 218.256 2.446 20 0 BEADHM CO[C@H](C)CCOc1nc2c(cccc2[O-])[nH]1 ZINC001234447578 978840272 /nfs/dbraw/zinc/84/02/72/978840272.db2.gz OGWFOXPOYSUGLR-MRVPVSSYSA-N -1 3 236.271 2.072 20 0 BEADHM C[C@H]1C[C@H](Oc2nc3c(cccc3[O-])[nH]2)CCO1 ZINC001234448694 978840355 /nfs/dbraw/zinc/84/03/55/978840355.db2.gz XQKJRDURTIJQAK-DTWKUNHWSA-N -1 3 248.282 2.215 20 0 BEADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])[C@H](C)CCO1 ZINC001339403099 978848617 /nfs/dbraw/zinc/84/86/17/978848617.db2.gz UHRZWMKBPPBTFB-GHMZBOCLSA-N -1 3 249.310 2.032 20 0 BEADHM O=C([O-])/C=C/c1ccc(CN2CC[C@H]2C2CC2)o1 ZINC001601880374 978861338 /nfs/dbraw/zinc/86/13/38/978861338.db2.gz XAAVDYQTXZTYRU-GFUIURDCSA-N -1 3 247.294 2.362 20 0 BEADHM c1cn2c(n1)[C@@H](Oc1nc3ccsc3[n-]1)CC2 ZINC001234851544 978915977 /nfs/dbraw/zinc/91/59/77/978915977.db2.gz LVQBSLPDIRKQDN-QMMMGPOBSA-N -1 3 246.295 2.345 20 0 BEADHM c1cc2nc(OC[C@@H]3CCCO3)[n-]c2s1 ZINC001234849093 978918576 /nfs/dbraw/zinc/91/85/76/978918576.db2.gz YADIZQGKGZBIFI-ZETCQYMHSA-N -1 3 224.285 2.182 20 0 BEADHM c1cc2[n-]c(OC[C@@H]3CCCO3)nc2s1 ZINC001234849093 978918581 /nfs/dbraw/zinc/91/85/81/978918581.db2.gz YADIZQGKGZBIFI-ZETCQYMHSA-N -1 3 224.285 2.182 20 0 BEADHM CC(C)Cc1coc([N-]C(=O)c2cnco2)n1 ZINC001180596607 978921266 /nfs/dbraw/zinc/92/12/66/978921266.db2.gz UNXSQUIZDHGZRD-UHFFFAOYSA-N -1 3 235.243 2.113 20 0 BEADHM O=C([O-])c1ccc(CNCc2ccc(F)cc2)[nH]1 ZINC001602348659 979106937 /nfs/dbraw/zinc/10/69/37/979106937.db2.gz QJWZVNIJENTAOR-UHFFFAOYSA-N -1 3 248.257 2.142 20 0 BEADHM NC(=O)c1ccnc(-c2cc([O-])cc(Cl)c2)c1 ZINC001235898831 979189979 /nfs/dbraw/zinc/18/99/79/979189979.db2.gz DNBHBXOCAOFMDY-UHFFFAOYSA-N -1 3 248.669 2.207 20 0 BEADHM Cn1cccc(-c2cc([O-])cc(Cl)c2)c1=O ZINC001235905574 979197285 /nfs/dbraw/zinc/19/72/85/979197285.db2.gz AZSLBQVLMVXZNQ-UHFFFAOYSA-N -1 3 235.670 2.411 20 0 BEADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001602745425 979212328 /nfs/dbraw/zinc/21/23/28/979212328.db2.gz FFROQCRCIFHWPG-SOFGYWHQSA-N -1 3 249.277 2.432 20 0 BEADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001602745425 979212335 /nfs/dbraw/zinc/21/23/35/979212335.db2.gz FFROQCRCIFHWPG-SOFGYWHQSA-N -1 3 249.277 2.432 20 0 BEADHM CCC1(CC)C[C@@H]1C(=O)Nc1cc(=O)[n-]c(C)n1 ZINC001181879880 979352895 /nfs/dbraw/zinc/35/28/95/979352895.db2.gz YDBXZERPZUKFNZ-SECBINFHSA-N -1 3 249.314 2.255 20 0 BEADHM C/C(=C\CN[C@@H](C)c1cnc(C)s1)C(=O)[O-] ZINC001602975316 979354220 /nfs/dbraw/zinc/35/42/20/979354220.db2.gz LPDDADXCXQYQRR-IPWDFOCMSA-N -1 3 240.328 2.133 20 0 BEADHM CCC(C)(C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001603981927 979552064 /nfs/dbraw/zinc/55/20/64/979552064.db2.gz QPTXEISAQKLIIN-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CCC(C)(C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001603981927 979552074 /nfs/dbraw/zinc/55/20/74/979552074.db2.gz QPTXEISAQKLIIN-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM c1ccc(C2=CCSCC2)c(-c2nnn[n-]2)c1 ZINC001236368286 979567933 /nfs/dbraw/zinc/56/79/33/979567933.db2.gz VQHQOAWFRYJISP-UHFFFAOYSA-N -1 3 244.323 2.387 20 0 BEADHM c1ccc(C2=CCSCC2)c(-c2nn[n-]n2)c1 ZINC001236368286 979567939 /nfs/dbraw/zinc/56/79/39/979567939.db2.gz VQHQOAWFRYJISP-UHFFFAOYSA-N -1 3 244.323 2.387 20 0 BEADHM CCC[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001604136533 979581822 /nfs/dbraw/zinc/58/18/22/979581822.db2.gz BSTGSZMBRWSYRA-VIFPVBQESA-N -1 3 231.303 2.467 20 0 BEADHM C[C@@H](N[C@@H]1CCSC1)c1cc(C(=O)[O-])co1 ZINC001604330468 979612725 /nfs/dbraw/zinc/61/27/25/979612725.db2.gz XNADFDDPAXZLCL-VXNVDRBHSA-N -1 3 241.312 2.134 20 0 BEADHM O=c1c(-c2cncc([O-])c2)cccn1C1CCC1 ZINC001236584671 979666465 /nfs/dbraw/zinc/66/64/65/979666465.db2.gz BGANYMYPYBTLHV-UHFFFAOYSA-N -1 3 242.278 2.341 20 0 BEADHM [O-]c1cc(CN2CC(F)(C3CC3)C2)ccc1F ZINC001236703591 979696424 /nfs/dbraw/zinc/69/64/24/979696424.db2.gz PIUGCUJYQOPZAY-UHFFFAOYSA-N -1 3 239.265 2.465 20 0 BEADHM C[C@@H]1CN(Cc2ccc(F)c([O-])c2)C[C@H](C)O1 ZINC001236703743 979696597 /nfs/dbraw/zinc/69/65/97/979696597.db2.gz QNUAFAICSNCULZ-AOOOYVTPSA-N -1 3 239.290 2.141 20 0 BEADHM CC1(C)CN(Cc2ccc(F)c([O-])c2)CCO1 ZINC001236701056 979696756 /nfs/dbraw/zinc/69/67/56/979696756.db2.gz ATSGZLBRUCYCDY-UHFFFAOYSA-N -1 3 239.290 2.142 20 0 BEADHM C[C@H]1CN(Cc2ccc(F)c([O-])c2)C[C@H](C)O1 ZINC001236703751 979697937 /nfs/dbraw/zinc/69/79/37/979697937.db2.gz QNUAFAICSNCULZ-UWVGGRQHSA-N -1 3 239.290 2.141 20 0 BEADHM [O-]c1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)ccc1F ZINC001236700291 979699051 /nfs/dbraw/zinc/69/90/51/979699051.db2.gz VTGCESNSPJBHGL-NHCYSSNCSA-N -1 3 239.265 2.321 20 0 BEADHM C[C@@H]1CN(Cc2ccc(F)c([O-])c2)[C@@H](C)CO1 ZINC001236707740 979704614 /nfs/dbraw/zinc/70/46/14/979704614.db2.gz KDYJFYDKNMQXIO-VHSXEESVSA-N -1 3 239.290 2.141 20 0 BEADHM CN(Cc1ccc(F)c([O-])c1)CC(F)F ZINC001236713144 979706105 /nfs/dbraw/zinc/70/61/05/979706105.db2.gz MYVCXZZKDAGOJX-UHFFFAOYSA-N -1 3 219.206 2.228 20 0 BEADHM CC(=O)[C@@H]1CCCN1Cc1ccc(F)c([O-])c1 ZINC001236712628 979707905 /nfs/dbraw/zinc/70/79/05/979707905.db2.gz FCQHQMUNBISWAY-LBPRGKRZSA-N -1 3 237.274 2.085 20 0 BEADHM O=C1CCCN(Cc2cc([O-])cc(F)c2)CC1 ZINC001237276900 979858617 /nfs/dbraw/zinc/85/86/17/979858617.db2.gz KFQXKMIHPGVBLK-UHFFFAOYSA-N -1 3 237.274 2.086 20 0 BEADHM Cc1cc(OCCC2CC2)ccc1-c1nn[n-]n1 ZINC001605747574 979911536 /nfs/dbraw/zinc/91/15/36/979911536.db2.gz NSDYVODOXGFULQ-UHFFFAOYSA-N -1 3 244.298 2.354 20 0 BEADHM Cc1cc(NCC2CCC2)cc(-c2nnn[n-]2)c1 ZINC001605729379 979912548 /nfs/dbraw/zinc/91/25/48/979912548.db2.gz COGOTRHEIMJKSZ-UHFFFAOYSA-N -1 3 243.314 2.387 20 0 BEADHM Cc1cc(NCC2CCC2)cc(-c2nn[n-]n2)c1 ZINC001605729379 979912556 /nfs/dbraw/zinc/91/25/56/979912556.db2.gz COGOTRHEIMJKSZ-UHFFFAOYSA-N -1 3 243.314 2.387 20 0 BEADHM Cc1nc(NC(=O)[C@@H]2CCC[C@H](C)C2)cc(=O)[n-]1 ZINC001184502240 980095307 /nfs/dbraw/zinc/09/53/07/980095307.db2.gz GOYUUGFQLNUKSL-WCBMZHEXSA-N -1 3 249.314 2.255 20 0 BEADHM Cc1ccc(C)c(C(=O)Nc2ncccc2[O-])n1 ZINC001184578035 980106960 /nfs/dbraw/zinc/10/69/60/980106960.db2.gz RYZXTUUGKOKMEG-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM Cc1cc(C)nc(N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001607632300 980119667 /nfs/dbraw/zinc/11/96/67/980119667.db2.gz ISUBHDULWUHWGY-MNOVXSKESA-N -1 3 234.299 2.364 20 0 BEADHM Cc1cc(CN(C2CC2)C2CC2)oc1C(=O)[O-] ZINC001607636168 980120651 /nfs/dbraw/zinc/12/06/51/980120651.db2.gz LLZDFHXEOCNVMC-UHFFFAOYSA-N -1 3 235.283 2.413 20 0 BEADHM [O-]c1cc(CCN2CCCC2)c(F)c(F)c1F ZINC001250168459 980138841 /nfs/dbraw/zinc/13/88/41/980138841.db2.gz UWXFUMOSQFTZHK-UHFFFAOYSA-N -1 3 245.244 2.448 20 0 BEADHM Cc1nc(NC(=O)CC2(C)CCC2)cc(=O)[n-]1 ZINC001185092163 980169103 /nfs/dbraw/zinc/16/91/03/980169103.db2.gz SXLTZIPAMDENOO-UHFFFAOYSA-N -1 3 235.287 2.009 20 0 BEADHM O=C(Nc1cc([O-])cc(Cl)c1)[C@@H]1CCC=N1 ZINC001187367527 980504608 /nfs/dbraw/zinc/50/46/08/980504608.db2.gz YRZLIRAETMJOLQ-JTQLQIEISA-N -1 3 238.674 2.217 20 0 BEADHM Cc1ccncc1C(=O)Nc1ccc(F)c([O-])c1 ZINC001188233043 980629668 /nfs/dbraw/zinc/62/96/68/980629668.db2.gz SDFBTYLRAYIOIB-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM CC(=O)CC(C)(C)NC(=O)c1c(C)cccc1[O-] ZINC001188660072 980678604 /nfs/dbraw/zinc/67/86/04/980678604.db2.gz VEHYSIDATFRAHA-UHFFFAOYSA-N -1 3 249.310 2.188 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001188640033 980687791 /nfs/dbraw/zinc/68/77/91/980687791.db2.gz BZNOJMVGXDWGLF-DCAQKATOSA-N -1 3 249.285 2.131 20 0 BEADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccncc2)c1 ZINC001239612434 980810268 /nfs/dbraw/zinc/81/02/68/980810268.db2.gz NOSCOKPNSJYWGV-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccncc2)c1 ZINC001239612434 980810271 /nfs/dbraw/zinc/81/02/71/980810271.db2.gz NOSCOKPNSJYWGV-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM CC(C)[C@H](C)NC(=O)c1ccc(=O)[n-]c1Cl ZINC001190903154 980949151 /nfs/dbraw/zinc/94/91/51/980949151.db2.gz RCXZMTXBTBKOPU-ZETCQYMHSA-N -1 3 242.706 2.215 20 0 BEADHM O=S(=O)(CC1CCCC1)[N-]c1ccoc1 ZINC001191488912 981044907 /nfs/dbraw/zinc/04/49/07/981044907.db2.gz LTMNRZWSHXODTN-UHFFFAOYSA-N -1 3 229.301 2.212 20 0 BEADHM CC[C@H]1CCN1Cc1ccsc1C(=O)[O-] ZINC001595467512 981155804 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KASMZCCFMVLQCI-UHFFFAOYSA-N -1 3 216.240 2.166 20 0 BEADHM Cc1ccc(-c2nccc(C)c2C(N)=O)c([O-])c1 ZINC001241030579 982127143 /nfs/dbraw/zinc/12/71/43/982127143.db2.gz NCUQMSGWWXEBRQ-UHFFFAOYSA-N -1 3 242.278 2.170 20 0 BEADHM COc1ncc(-c2ccc(C)cc2[O-])nc1OC ZINC001241042983 982144446 /nfs/dbraw/zinc/14/44/46/982144446.db2.gz KSAUAYUPUUNWSE-UHFFFAOYSA-N -1 3 246.266 2.175 20 0 BEADHM Cc1coc(C(=O)Nc2ccc(F)c([O-])c2)n1 ZINC001195759661 982339071 /nfs/dbraw/zinc/33/90/71/982339071.db2.gz HBOBMZRCXMADTP-UHFFFAOYSA-N -1 3 236.202 2.080 20 0 BEADHM NCc1ccc(-c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC001241244981 982389193 /nfs/dbraw/zinc/38/91/93/982389193.db2.gz ALDVBAULEDSENT-UHFFFAOYSA-N -1 3 246.241 2.045 20 0 BEADHM CCOc1nccc(-c2cc([O-])cc(F)c2)n1 ZINC001241255688 982391639 /nfs/dbraw/zinc/39/16/39/982391639.db2.gz ACSVLQICEBUTQG-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM COC(=O)c1cccnc1-c1cc([O-])cc(F)c1 ZINC001241258198 982394764 /nfs/dbraw/zinc/39/47/64/982394764.db2.gz VVDGWKSRWJBPSE-UHFFFAOYSA-N 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BEADHM [O-]c1ccc(F)c(-c2cccn3ncnc23)c1F ZINC001241291572 982433475 /nfs/dbraw/zinc/43/34/75/982433475.db2.gz QNZPSIVPODUNFB-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM CC[C@H](C)[C@H](N[C@@H](C)c1cscn1)C(=O)[O-] ZINC001594918332 982451618 /nfs/dbraw/zinc/45/16/18/982451618.db2.gz VQUVTHXGHRFNCN-NRPADANISA-N -1 3 242.344 2.293 20 0 BEADHM CC[C@H](CN[C@@H](C)c1csc(C)n1)C(=O)[O-] ZINC001589551869 982821389 /nfs/dbraw/zinc/82/13/89/982821389.db2.gz LWZUIUKLCPBXIX-IONNQARKSA-N -1 3 242.344 2.213 20 0 BEADHM C[C@H]1C[C@@H]1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC001590217068 982905002 /nfs/dbraw/zinc/90/50/02/982905002.db2.gz ATKMIZQAOVTKOD-JGVFFNPUSA-N -1 3 247.277 2.074 20 0 BEADHM C[C@H]1C[C@@H]1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC001590217068 982905028 /nfs/dbraw/zinc/90/50/28/982905028.db2.gz ATKMIZQAOVTKOD-JGVFFNPUSA-N -1 3 247.277 2.074 20 0 BEADHM CCCN(CC)c1cc(F)ccc1-c1nnn[n-]1 ZINC001590622242 982966179 /nfs/dbraw/zinc/96/61/79/982966179.db2.gz ODXASXIWOHBQEZ-UHFFFAOYSA-N -1 3 249.293 2.242 20 0 BEADHM CCCN(CC)c1cc(F)ccc1-c1nn[n-]n1 ZINC001590622242 982966187 /nfs/dbraw/zinc/96/61/87/982966187.db2.gz ODXASXIWOHBQEZ-UHFFFAOYSA-N -1 3 249.293 2.242 20 0 BEADHM O=C([O-])c1occc1CN[C@@H]1C=CCCC1 ZINC001119538879 982985106 /nfs/dbraw/zinc/98/51/06/982985106.db2.gz GVCSMSDMMWFVFU-SNVBAGLBSA-N -1 3 221.256 2.176 20 0 BEADHM CC(C)c1oncc1C(=O)Nc1ncccc1[O-] ZINC001199742988 983005392 /nfs/dbraw/zinc/00/53/92/983005392.db2.gz CULHJPNGMPNRMN-UHFFFAOYSA-N -1 3 247.254 2.151 20 0 BEADHM CCc1cc(-c2nn[n-]n2)ccc1OCC(C)C ZINC001590876365 983006452 /nfs/dbraw/zinc/00/64/52/983006452.db2.gz GNAMORIJEWADPT-UHFFFAOYSA-N -1 3 246.314 2.464 20 0 BEADHM Cc1cc(OC[C@@H]2C[C@@H]2C)ccc1-c1nn[n-]n1 ZINC001592058784 983109798 /nfs/dbraw/zinc/10/97/98/983109798.db2.gz HAHDQAKVHGIBOU-WPRPVWTQSA-N -1 3 244.298 2.210 20 0 BEADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@H]1C=CCC1 ZINC001592636986 983189244 /nfs/dbraw/zinc/18/92/44/983189244.db2.gz MZEVSCXOPOZBFG-VIFPVBQESA-N -1 3 245.261 2.136 20 0 BEADHM c1cc(OCCC2CC2)cc(-c2nnn[n-]2)c1 ZINC001593561061 983304391 /nfs/dbraw/zinc/30/43/91/983304391.db2.gz HASRLPMTKFPXPZ-UHFFFAOYSA-N -1 3 230.271 2.046 20 0 BEADHM c1cc(OCCC2CC2)cc(-c2nn[n-]n2)c1 ZINC001593561061 983304398 /nfs/dbraw/zinc/30/43/98/983304398.db2.gz HASRLPMTKFPXPZ-UHFFFAOYSA-N -1 3 230.271 2.046 20 0 BEADHM CC(C)NC(=S)Nc1ncc([O-])cc1Cl ZINC001200778453 983356475 /nfs/dbraw/zinc/35/64/75/983356475.db2.gz QSJLGGSRXJIFQM-UHFFFAOYSA-N -1 3 245.735 2.135 20 0 BEADHM Cc1nonc1[N-]c1ccc(C2CC2)nc1 ZINC001201702911 983416369 /nfs/dbraw/zinc/41/63/69/983416369.db2.gz RQNOHQAHSLPCLY-UHFFFAOYSA-N -1 3 216.244 2.394 20 0 BEADHM Nc1cn2ccc(-c3ccc(F)cc3[O-])cc2n1 ZINC001242218132 983417766 /nfs/dbraw/zinc/41/77/66/983417766.db2.gz UFJUBJWWKJLQPV-UHFFFAOYSA-N -1 3 243.241 2.428 20 0 BEADHM Cc1nc(C(N)=O)ccc1-c1ccc(F)cc1[O-] ZINC001242218396 983420108 /nfs/dbraw/zinc/42/01/08/983420108.db2.gz CHQAOGBGDYGDFD-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM NC(=O)c1cc(-c2ccc(F)cc2[O-])ccc1F ZINC001242218959 983420273 /nfs/dbraw/zinc/42/02/73/983420273.db2.gz UFGOBHJQTWHIKC-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM Cc1nc(NC(=O)Nc2ccccc2)cc(=O)[n-]1 ZINC001201946111 983515420 /nfs/dbraw/zinc/51/54/20/983515420.db2.gz NAWZBOKHEQENIY-UHFFFAOYSA-N -1 3 244.254 2.135 20 0 BEADHM Cc1cc(F)c(C[N-]C(=O)C(F)F)c(F)c1 ZINC001356114048 983573950 /nfs/dbraw/zinc/57/39/50/983573950.db2.gz SEKOHBHCMDFZFM-UHFFFAOYSA-N -1 3 235.180 2.155 20 0 BEADHM Cc1ccccc1NC(=O)Nc1cnc[n-]c1=O ZINC001202177537 983584351 /nfs/dbraw/zinc/58/43/51/983584351.db2.gz QSMJVOUYKOFPQW-UHFFFAOYSA-N -1 3 244.254 2.135 20 0 BEADHM [O-]c1c(F)cccc1-c1cnc2c(c1)OCCO2 ZINC001242351672 983625419 /nfs/dbraw/zinc/62/54/19/983625419.db2.gz ODZVLGNPBSRJOA-UHFFFAOYSA-N -1 3 247.225 2.365 20 0 BEADHM Cc1nc(C(N)=O)ccc1-c1cccc(F)c1[O-] ZINC001242352355 983627563 /nfs/dbraw/zinc/62/75/63/983627563.db2.gz TZHRQQVZSWJVJB-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM Cc1nc(N)ccc1-c1cccc(F)c1[O-] ZINC001242352267 983628500 /nfs/dbraw/zinc/62/85/00/983628500.db2.gz FETYKYJAIVSLRF-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM NCc1ccc(-c2cccc(C(=O)[O-])c2F)cn1 ZINC001242379480 983667749 /nfs/dbraw/zinc/66/77/49/983667749.db2.gz QZXBRBRZRYHJGI-UHFFFAOYSA-N -1 3 246.241 2.045 20 0 BEADHM Cc1ccc(-c2ccc(=S)[n-]n2)cc1CO ZINC001242384553 983674350 /nfs/dbraw/zinc/67/43/50/983674350.db2.gz PKGFSKNKSOETPE-UHFFFAOYSA-N -1 3 232.308 2.233 20 0 BEADHM N#Cc1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000000008664 983932380 /nfs/dbraw/zinc/93/23/80/983932380.db2.gz UEYMVHOIAPPZMG-UHFFFAOYSA-N -1 3 247.261 2.405 20 0 BEADHM N#Cc1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000000008664 983932387 /nfs/dbraw/zinc/93/23/87/983932387.db2.gz UEYMVHOIAPPZMG-UHFFFAOYSA-N -1 3 247.261 2.405 20 0 BEADHM C=C/C=C/CCN(C)Cc1ccc(C(=O)[O-])cn1 ZINC001588720215 983965197 /nfs/dbraw/zinc/96/51/97/983965197.db2.gz NHWAXQULDKBRAU-SNAWJCMRSA-N -1 3 246.310 2.344 20 0 BEADHM [O-]C(=Cc1cnoc1)c1ccc(F)cc1 ZINC000201138992 983977326 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/nfs/dbraw/zinc/40/33/92/984403392.db2.gz RWLWJHXVRGLHPW-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM [O-]c1cc(-c2ccc3nccn3n2)ccc1F ZINC001243050634 984409523 /nfs/dbraw/zinc/40/95/23/984409523.db2.gz ZMKSLDMGZSFWFS-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM COc1cc(-c2ccc(F)c([O-])c2)nc(C)n1 ZINC001243053417 984415880 /nfs/dbraw/zinc/41/58/80/984415880.db2.gz CZUYUIIUAMCPFG-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM Cc1cc(C(=O)[O-])cc(-c2ccc(CN)nc2)c1 ZINC001243182490 984641851 /nfs/dbraw/zinc/64/18/51/984641851.db2.gz PUUDDVNBLKNXNP-UHFFFAOYSA-N -1 3 242.278 2.214 20 0 BEADHM Cc1cc(-c2ccc(=S)[n-]n2)ccc1CO ZINC001243187006 984651443 /nfs/dbraw/zinc/65/14/43/984651443.db2.gz DPEOMTRPTCMTLN-UHFFFAOYSA-N -1 3 232.308 2.233 20 0 BEADHM Cc1cc(-c2ccc(=S)[n-]n2)cnc1F ZINC001243395618 984885330 /nfs/dbraw/zinc/88/53/30/984885330.db2.gz MLCZMSPKANLWAO-UHFFFAOYSA-N -1 3 221.260 2.275 20 0 BEADHM C/C(=C\C(=O)[O-])CN1CC[C@@H]1c1ccccc1 ZINC001588948578 984937961 /nfs/dbraw/zinc/93/79/61/984937961.db2.gz IZDMDXAUJVRXGM-YGNAEDSMSA-N -1 3 231.295 2.464 20 0 BEADHM [O-]c1cccc(-c2ncnc3cc[nH]c32)c1F ZINC001243541941 985065906 /nfs/dbraw/zinc/06/59/06/985065906.db2.gz KEDAYWDAAWKCRW-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM [O-]c1cccc(-c2ccc3nc[nH]c3n2)c1F ZINC001243541430 985070560 /nfs/dbraw/zinc/07/05/60/985070560.db2.gz BACQHFSRMCJNFT-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM Cn1cnc2cnc(-c3cccc([O-])c3F)cc21 ZINC001243541126 985070763 /nfs/dbraw/zinc/07/07/63/985070763.db2.gz DZXNLWFWWLWRRY-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM Cc1cnc(-c2cccc([O-])c2F)c(N)c1 ZINC001243542789 985075544 /nfs/dbraw/zinc/07/55/44/985075544.db2.gz PGQUNWQVFQFZGF-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM CN(C)c1cc(-c2cccc([O-])c2F)ncn1 ZINC001243543070 985077170 /nfs/dbraw/zinc/07/71/70/985077170.db2.gz UFHIWJZVPXPQSQ-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM [O-]c1cccc(-c2ccn3ncnc3c2)c1F ZINC001243544613 985080395 /nfs/dbraw/zinc/08/03/95/985080395.db2.gz IJCCEBGBLXSYHS-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM [O-]c1cccc(-c2cnc3[nH]cnc3c2)c1F ZINC001243544700 985081594 /nfs/dbraw/zinc/08/15/94/985081594.db2.gz JTKQFNPGRTXVFK-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM CN(C)c1ncc(-c2cccc([O-])c2F)cn1 ZINC001243545162 985081871 /nfs/dbraw/zinc/08/18/71/985081871.db2.gz VFJOFFHFTXGJMP-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM CCC(C)(C)CCNCc1cc(C(=O)[O-])no1 ZINC000686201305 985085416 /nfs/dbraw/zinc/08/54/16/985085416.db2.gz RYUULRMVAHXBOE-UHFFFAOYSA-N -1 3 240.303 2.289 20 0 BEADHM [O-]c1cccc(-c2cnc(F)nc2F)c1F ZINC001243546629 985091262 /nfs/dbraw/zinc/09/12/62/985091262.db2.gz BEOHKTLWMRHGDK-UHFFFAOYSA-N -1 3 226.157 2.267 20 0 BEADHM Cc1cc(C(N)=O)cc(-c2cccc([O-])c2F)n1 ZINC001243546141 985092399 /nfs/dbraw/zinc/09/23/99/985092399.db2.gz KSHIPCFPKLESGB-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM CC(C)n1nccc(-c2cccc([O-])c2F)c1=O ZINC001243545903 985094081 /nfs/dbraw/zinc/09/40/81/985094081.db2.gz IKVUMKSAQAZSLC-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM [O-]c1cccc(-c2cc3c(nn2)CCC3)c1F ZINC001243547044 985098521 /nfs/dbraw/zinc/09/85/21/985098521.db2.gz TWRZPDOPIXWSSY-UHFFFAOYSA-N -1 3 230.242 2.477 20 0 BEADHM Cc1cc(-c2cccc([O-])c2F)c(=O)n(C)c1 ZINC001243546923 985098968 /nfs/dbraw/zinc/09/89/68/985098968.db2.gz UYASBLSFNMRBAW-UHFFFAOYSA-N -1 3 233.242 2.205 20 0 BEADHM NC(=O)c1ccc(F)c(-c2cccc([O-])c2F)c1 ZINC001243547176 985099519 /nfs/dbraw/zinc/09/95/19/985099519.db2.gz LDIPUJLTQWIDTR-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM Cc1cc(-c2cccc([O-])c2F)cc(=O)o1 ZINC001243548041 985100951 /nfs/dbraw/zinc/10/09/51/985100951.db2.gz XXMIEVYAFASHOM-UHFFFAOYSA-N -1 3 220.199 2.460 20 0 BEADHM [O-]c1cccc(-c2ccnc3c2CCN3)c1F ZINC001243549340 985104237 /nfs/dbraw/zinc/10/42/37/985104237.db2.gz XQKUUDAJLJIVNB-UHFFFAOYSA-N -1 3 230.242 2.204 20 0 BEADHM CCCCC[C@@H](CC)Nc1cnc(C)[n-]c1=O ZINC001258433604 985874894 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/nfs/dbraw/zinc/21/46/36/986214636.db2.gz IUDDXPUGLFEOFA-UHFFFAOYSA-N -1 3 206.220 2.240 20 0 BEADHM Cc1cc(-c2cncc(N)c2)cc([O-])c1F ZINC001244516167 986214986 /nfs/dbraw/zinc/21/49/86/986214986.db2.gz OWVBXVCJAQDRDA-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM Cc1cc(-c2cnc(F)cn2)cc([O-])c1F ZINC001244519924 986224619 /nfs/dbraw/zinc/22/46/19/986224619.db2.gz HDQHANONUSZMMF-UHFFFAOYSA-N -1 3 222.194 2.436 20 0 BEADHM Cc1cc(-c2cccc(=O)n2C)cc([O-])c1F ZINC001244521215 986225675 /nfs/dbraw/zinc/22/56/75/986225675.db2.gz QLUDXFPLIBCXFI-UHFFFAOYSA-N -1 3 233.242 2.205 20 0 BEADHM CC(C)[C@H](O)CNc1c([O-])cc(F)cc1F ZINC001253768138 986392040 /nfs/dbraw/zinc/39/20/40/986392040.db2.gz CHBWZYBKFBHKTI-SNVBAGLBSA-N -1 3 231.242 2.099 20 0 BEADHM CCCNC(=S)Nc1ccc(F)c([O-])c1 ZINC001244884499 986420347 /nfs/dbraw/zinc/42/03/47/986420347.db2.gz JYFODMMISHVWNO-UHFFFAOYSA-N -1 3 228.292 2.228 20 0 BEADHM O=C([O-])c1cccc(CN2CCC(F)CC2)c1 ZINC000689452929 986617706 /nfs/dbraw/zinc/61/77/06/986617706.db2.gz 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2.226 20 0 BEADHM C/C=C/CN[C@@H](C)c1ccccc1OCC(=O)[O-] ZINC001594686449 987066627 /nfs/dbraw/zinc/06/66/27/987066627.db2.gz WCAMIDZEMFEXBL-UFFNRZRYSA-N -1 3 249.310 2.377 20 0 BEADHM C[C@@H]1CC[C@H](C(=O)Nc2ccncc2[O-])C[C@@H]1C ZINC001472506506 987232840 /nfs/dbraw/zinc/23/28/40/987232840.db2.gz YXVMLFRBUARSIK-VWYCJHECSA-N -1 3 248.326 2.220 20 0 BEADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccncc2[O-])C[C@H]1C ZINC001472506503 987233730 /nfs/dbraw/zinc/23/37/30/987233730.db2.gz YXVMLFRBUARSIK-GMTAPVOTSA-N -1 3 248.326 2.220 20 0 BEADHM O=C([O-])c1occc1CN1CCCC2(CC2)C1 ZINC000695118370 987328822 /nfs/dbraw/zinc/32/88/22/987328822.db2.gz HKEJGTBCMILCCD-UHFFFAOYSA-N -1 3 235.283 2.354 20 0 BEADHM C/C(=C\CN1CCC(F)(F)C[C@H]1C)C(=O)[O-] ZINC000696414783 987342657 /nfs/dbraw/zinc/34/26/57/987342657.db2.gz GCSCTLSNQWDEMC-QZGLAHODSA-N -1 3 233.258 2.137 20 0 BEADHM CCc1[nH]c(CN(CC)C2CC2)cc1C(=O)[O-] ZINC001597380230 987570089 /nfs/dbraw/zinc/57/00/89/987570089.db2.gz BBISYFJJDOOORC-UHFFFAOYSA-N -1 3 236.315 2.260 20 0 BEADHM CCc1[nH]c(CN2CCC[C@H]2C)cc1C(=O)[O-] ZINC001597387026 987611804 /nfs/dbraw/zinc/61/18/04/987611804.db2.gz UKDCLLHQCBTALG-SECBINFHSA-N -1 3 236.315 2.260 20 0 BEADHM CC(C)(C)[C@H](NC/C(Cl)=C/Cl)C(=O)[O-] ZINC001589716730 987861752 /nfs/dbraw/zinc/86/17/52/987861752.db2.gz HIFSOFVXMMQQDG-FXXDRWHHSA-N -1 3 240.130 2.394 20 0 BEADHM CC(=O)CCCCCCC(=O)[N-]OC(C)C ZINC001117770355 987900595 /nfs/dbraw/zinc/90/05/95/987900595.db2.gz SAIVYFBNPHMTKB-UHFFFAOYSA-N -1 3 229.320 2.372 20 0 BEADHM CC(C)O[N-]C(=O)CCCOC(C)(C)C ZINC001117847662 987947653 /nfs/dbraw/zinc/94/76/53/987947653.db2.gz MJOHQRWURIMZNI-UHFFFAOYSA-N -1 3 217.309 2.038 20 0 BEADHM CO[C@@H]1CCC[C@@H](CC(=O)[N-]OC(C)C)C1 ZINC001117847815 987949287 /nfs/dbraw/zinc/94/92/87/987949287.db2.gz PBRFEDHOQVRXBX-GHMZBOCLSA-N -1 3 229.320 2.038 20 0 BEADHM C[C@H](CC(=O)[N-]OC(C)(C)C)[C@@H]1CCCO1 ZINC001118827323 988625342 /nfs/dbraw/zinc/62/53/42/988625342.db2.gz KZTLTPCBFHNIBF-ZJUUUORDSA-N -1 3 229.320 2.038 20 0 BEADHM CC(=O)[C@@H](C)CCCCC(=O)[N-]OC(C)C ZINC001324791727 988984324 /nfs/dbraw/zinc/98/43/24/988984324.db2.gz LCTGZMWUQJZRNL-JTQLQIEISA-N -1 3 229.320 2.228 20 0 BEADHM Cc1occc1CN(C)c1nc(C)cc(=O)[n-]1 ZINC001515392066 989041799 /nfs/dbraw/zinc/04/17/99/989041799.db2.gz ZWGDNSJPJXIDBG-UHFFFAOYSA-N -1 3 233.271 2.028 20 0 BEADHM CC(C)(C)CNC(=S)Nc1ncccc1[O-] ZINC001247934003 989043352 /nfs/dbraw/zinc/04/33/52/989043352.db2.gz ZPMJSHIFMUOIKO-UHFFFAOYSA-N -1 3 239.344 2.120 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCC[C@H](C3CC3)C2)n1 ZINC001515767380 989111696 /nfs/dbraw/zinc/11/16/96/989111696.db2.gz GRNOPWIAULKZBL-NSHDSACASA-N -1 3 233.315 2.117 20 0 BEADHM CC(C)O[N-]C(=O)Cc1cn(C)c2ccccc12 ZINC001325261071 989134294 /nfs/dbraw/zinc/13/42/94/989134294.db2.gz LJESIKNDGGNSJB-UHFFFAOYSA-N -1 3 246.310 2.177 20 0 BEADHM CCc1oc(CN[C@@H]2CC23CC3)cc1C(=O)[O-] ZINC001119603378 989220691 /nfs/dbraw/zinc/22/06/91/989220691.db2.gz QYLYGKNSJDQFBI-LLVKDONJSA-N -1 3 235.283 2.182 20 0 BEADHM CCc1oc(CN[C@H]2CC23CC3)cc1C(=O)[O-] ZINC001119603379 989222657 /nfs/dbraw/zinc/22/26/57/989222657.db2.gz QYLYGKNSJDQFBI-NSHDSACASA-N -1 3 235.283 2.182 20 0 BEADHM CCc1oc(CNCCC(F)F)cc1C(=O)[O-] ZINC001597802276 989400345 /nfs/dbraw/zinc/40/03/45/989400345.db2.gz NNNAGZGUGHWXEG-UHFFFAOYSA-N -1 3 247.241 2.285 20 0 BEADHM CO[C@@H]1CCC[C@@H](CC(=O)[N-]OC(C)(C)C)C1 ZINC001326884793 989758501 /nfs/dbraw/zinc/75/85/01/989758501.db2.gz GTMRZQSVNYZSDI-GHMZBOCLSA-N -1 3 243.347 2.428 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@H](C)C2CCC2)n1 ZINC001120913271 989962745 /nfs/dbraw/zinc/96/27/45/989962745.db2.gz JXRQUXLWUVVLDX-MRVPVSSYSA-N -1 3 207.277 2.091 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@H]1F ZINC001528046101 990265541 /nfs/dbraw/zinc/26/55/41/990265541.db2.gz JCAKVZHFWMWDMH-NKWVEPMBSA-N -1 3 229.638 2.342 20 0 BEADHM O=C(/C=C\c1nccs1)[N-]OCC1CCC1 ZINC001528541195 990297576 /nfs/dbraw/zinc/29/75/76/990297576.db2.gz ZCPAGKSEARXTSL-PLNGDYQASA-N -1 3 238.312 2.004 20 0 BEADHM CO[N-]C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001540656253 990635295 /nfs/dbraw/zinc/63/52/95/990635295.db2.gz POBYZYKGSUJBAW-SFYZADRCSA-N -1 3 239.237 2.423 20 0 BEADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1C[C@@H]1F ZINC001123677957 990645239 /nfs/dbraw/zinc/64/52/39/990645239.db2.gz OSUDPGVBWVZGID-BQBZGAKWSA-N -1 3 229.638 2.342 20 0 BEADHM Cc1cccc([O-])c1C(=O)Nc1ccc[nH]c1=O ZINC001542485604 990664369 /nfs/dbraw/zinc/66/43/69/990664369.db2.gz GDOQCBNNWXYKGG-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM O=C([N-]OC1CCC1)c1c(F)ccnc1Cl ZINC001123896994 990695002 /nfs/dbraw/zinc/69/50/02/990695002.db2.gz UEFGRXZTYHHEFD-UHFFFAOYSA-N -1 3 244.653 2.088 20 0 BEADHM Cc1cnccc1CC(=O)[N-]OC1CCCCC1 ZINC001556300407 990818981 /nfs/dbraw/zinc/81/89/81/990818981.db2.gz RKTNVHALZTYJAM-UHFFFAOYSA-N -1 3 248.326 2.313 20 0 BEADHM CC(C)=CCC[C@@H](C)Nc1cnc(C)[n-]c1=O ZINC001258087193 990994513 /nfs/dbraw/zinc/99/45/13/990994513.db2.gz HCHPJXXLIUTOSJ-PWSUYJOCSA-N -1 3 235.331 2.109 20 0 BEADHM CC(C)OCCO[N-]C(=O)[C@]1(C)CCC[C@H]1C ZINC000833134788 991235882 /nfs/dbraw/zinc/23/58/82/991235882.db2.gz VQQTUVOQPYXAON-DGCLKSJQSA-N -1 3 243.347 2.286 20 0 BEADHM CC(C)OCCO[N-]C(=O)[C@]1(C)CC=CCC1 ZINC000833134056 991236858 /nfs/dbraw/zinc/23/68/58/991236858.db2.gz QYZBCSXTRIDXEY-CYBMUJFWSA-N -1 3 241.331 2.206 20 0 BEADHM C[C@@]1(F)CCCN(Cc2ccncc2[O-])C1 ZINC001140274218 991577872 /nfs/dbraw/zinc/57/78/72/991577872.db2.gz XEXLFVSVLLESTE-GFCCVEGCSA-N -1 3 224.279 2.111 20 0 BEADHM C[C@H]1c2cccn2CCN1Cc1ccncc1[O-] ZINC001140276433 991584579 /nfs/dbraw/zinc/58/45/79/991584579.db2.gz FDEFWVPBJLEMRJ-NSHDSACASA-N -1 3 243.310 2.166 20 0 BEADHM CC(C)[C@H]1CCN1Cc1ccc(C(=O)[O-])o1 ZINC001591095428 991679875 /nfs/dbraw/zinc/67/98/75/991679875.db2.gz VELVTSFNDUHMTH-SNVBAGLBSA-N -1 3 223.272 2.208 20 0 BEADHM [O-]c1ccc(CNCCC(F)F)c(F)c1F ZINC001561047194 991700057 /nfs/dbraw/zinc/70/00/57/991700057.db2.gz JFRLJQQHRWJDKS-UHFFFAOYSA-N -1 3 237.196 2.415 20 0 BEADHM O=C([N-]C[C@@H]1C[C@@H]1C1CCCC1)C(F)(F)F ZINC001562030792 991737215 /nfs/dbraw/zinc/73/72/15/991737215.db2.gz VAMUNSSOIOFCJM-DTWKUNHWSA-N -1 3 235.249 2.491 20 0 BEADHM CC[C@H](C)C[C@H](CC)Nc1cnc(C)[n-]c1=O ZINC001258787564 991765046 /nfs/dbraw/zinc/76/50/46/991765046.db2.gz UUDRDYNWOAMULX-ZMLRMANQSA-N -1 3 237.347 2.189 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCC=CO1 ZINC001567234381 991970153 /nfs/dbraw/zinc/97/01/53/991970153.db2.gz IYHVCWGYKMHCMW-NSHDSACASA-N -1 3 237.230 2.163 20 0 BEADHM O=S(=O)([N-]CCC1=CCCCC1)C(F)F ZINC001259963512 992070363 /nfs/dbraw/zinc/07/03/63/992070363.db2.gz XKQJHMVQELUYAV-UHFFFAOYSA-N -1 3 239.287 2.019 20 0 BEADHM O=C([O-])c1ccc(CN2CCCC3(CC3)CC2)[nH]1 ZINC001574412775 992856251 /nfs/dbraw/zinc/85/62/51/992856251.db2.gz MVFFCKZDWVCPFS-UHFFFAOYSA-N -1 3 248.326 2.479 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCC(C)(C)CC2)n1 ZINC001262681852 993021901 /nfs/dbraw/zinc/02/19/01/993021901.db2.gz CUZSBAFNQWDYAK-UHFFFAOYSA-N -1 3 221.304 2.117 20 0 BEADHM Cc1ncccc1NCc1ncccc1[O-] ZINC000381350907 993388229 /nfs/dbraw/zinc/38/82/29/993388229.db2.gz BRNXBCYFTZTEOR-UHFFFAOYSA-N -1 3 215.256 2.103 20 0 BEADHM C/C(=C\C(=O)Nc1ncccc1[O-])c1ccco1 ZINC001296266882 994810057 /nfs/dbraw/zinc/81/00/57/994810057.db2.gz GIOGHNMWYDXWQO-CMDGGOBGSA-N -1 3 244.250 2.422 20 0 BEADHM Cc1[nH]c(CN2CC(C)=C[C@@H](C)C2)cc1C(=O)[O-] ZINC001594109887 998200086 /nfs/dbraw/zinc/20/00/86/998200086.db2.gz LIKCHGJVFKIPRJ-SECBINFHSA-N -1 3 248.326 2.419 20 0 BEADHM CO[C@H](C)[C@@H](C)N[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599039249 999105531 /nfs/dbraw/zinc/10/55/31/999105531.db2.gz JEVHXRFHBMQLDM-IWSPIJDZSA-N -1 3 241.287 2.052 20 0 BEADHM C[C@@H]1CC[C@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001609163204 1170235906 /nfs/dbraw/zinc/23/59/06/1170235906.db2.gz UKTWJRCHSXTIJH-VXNVDRBHSA-N -1 3 247.277 2.216 20 0 BEADHM C[C@@H]1CC[C@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001609163204 1170235913 /nfs/dbraw/zinc/23/59/13/1170235913.db2.gz UKTWJRCHSXTIJH-VXNVDRBHSA-N -1 3 247.277 2.216 20 0 BEADHM CCSCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609248518 1170242792 /nfs/dbraw/zinc/24/27/92/1170242792.db2.gz CWCMIYSIBHJQIY-UHFFFAOYSA-N -1 3 238.291 2.259 20 0 BEADHM CCSCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609248518 1170242797 /nfs/dbraw/zinc/24/27/97/1170242797.db2.gz CWCMIYSIBHJQIY-UHFFFAOYSA-N -1 3 238.291 2.259 20 0 BEADHM Cc1ccc(-c2ccccn2)c(-c2nnn[n-]2)c1 ZINC001609413890 1170258872 /nfs/dbraw/zinc/25/88/72/1170258872.db2.gz XNVPFRQCCKTXPI-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1ccc(-c2ccccn2)c(-c2nn[n-]n2)c1 ZINC001609413890 1170258878 /nfs/dbraw/zinc/25/88/78/1170258878.db2.gz XNVPFRQCCKTXPI-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM c1cc(SCCC2CC2)ncc1-c1nnn[n-]1 ZINC001609615090 1170265882 /nfs/dbraw/zinc/26/58/82/1170265882.db2.gz GDLNEMJBOSEBIX-UHFFFAOYSA-N -1 3 247.327 2.154 20 0 BEADHM c1cc(SCCC2CC2)ncc1-c1nn[n-]n1 ZINC001609615090 1170265886 /nfs/dbraw/zinc/26/58/86/1170265886.db2.gz GDLNEMJBOSEBIX-UHFFFAOYSA-N -1 3 247.327 2.154 20 0 BEADHM CCCN(C)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001609975347 1170332005 /nfs/dbraw/zinc/33/20/05/1170332005.db2.gz QTYOGPIHLOWFDA-UHFFFAOYSA-N -1 3 247.298 2.034 20 0 BEADHM O=C([O-])[C@H](CF)NCc1cccc2ccccc21 ZINC001610715695 1170401654 /nfs/dbraw/zinc/40/16/54/1170401654.db2.gz FWVSODGWJKGOMF-ZDUSSCGKSA-N -1 3 247.269 2.352 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)c1ncc[nH]1 ZINC001628560272 1171249377 /nfs/dbraw/zinc/24/93/77/1171249377.db2.gz PEGQVMBZJQILEH-UHFFFAOYSA-N -1 3 237.646 2.021 20 0 BEADHM O=C([N-]c1ccsn1)c1c(F)cncc1F ZINC001632966653 1171548181 /nfs/dbraw/zinc/54/81/81/1171548181.db2.gz UECPMWDXJCFVGR-UHFFFAOYSA-N -1 3 241.222 2.069 20 0 BEADHM Cc1cnc(NC(=O)c2c(C)cccc2[O-])o1 ZINC001633702024 1171599349 /nfs/dbraw/zinc/59/93/49/1171599349.db2.gz DMJHMOFDIRWFKO-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM Cc1nc(C)c(C(=O)Nc2cccc(F)c2[O-])[nH]1 ZINC001635724792 1171756974 /nfs/dbraw/zinc/75/69/74/1171756974.db2.gz BZNJZMFJLMTSRK-UHFFFAOYSA-N -1 3 249.245 2.124 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@H]3C[C@H]3C2)c([O-])c1C ZINC000619362647 398142580 /nfs/dbraw/zinc/14/25/80/398142580.db2.gz ZNFFIZOHLGGLRN-RYUDHWBXSA-N -1 3 245.322 2.491 20 0 BEADHM CCc1ccc(C(=O)NCCCF)c([O-])c1 ZINC000188434184 346811840 /nfs/dbraw/zinc/81/18/40/346811840.db2.gz UJXIGUWVQHDWOR-UHFFFAOYSA-N -1 3 225.263 2.044 20 0 BEADHM C[C@H]1CCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000062753270 349492013 /nfs/dbraw/zinc/49/20/13/349492013.db2.gz CTJDLRRAWAJGQL-VIFPVBQESA-N -1 3 237.274 2.366 20 0 BEADHM CCO[C@H](CC)C(=O)Nc1c(C)cccc1[O-] ZINC000560850837 322992799 /nfs/dbraw/zinc/99/27/99/322992799.db2.gz QLTYUXNEOSXYQO-LLVKDONJSA-N -1 3 237.299 2.454 20 0 BEADHM CC(C)=CCC[C@@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000450674122 398168283 /nfs/dbraw/zinc/16/82/83/398168283.db2.gz MMZASHDLVSZIHL-SNVBAGLBSA-N -1 3 245.330 2.273 20 0 BEADHM C[C@@H]1C[C@H](c2nc3cccnc3c(=O)[n-]2)CCO1 ZINC000491593893 538921136 /nfs/dbraw/zinc/92/11/36/538921136.db2.gz KNLJRPMCRRVHCP-RKDXNWHRSA-N -1 3 245.282 2.013 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@H]1CC1(C)C ZINC000624524934 343981710 /nfs/dbraw/zinc/98/17/10/343981710.db2.gz KDLFRGCRNWGDEY-JTQLQIEISA-N -1 3 219.284 2.229 20 0 BEADHM Cc1cc(NCC(=O)[O-])c2ccccc2n1 ZINC000035206417 178154737 /nfs/dbraw/zinc/15/47/37/178154737.db2.gz RWRYIHAYIQMKBG-UHFFFAOYSA-N -1 3 216.240 2.040 20 0 BEADHM CC(C)(C)CNC(=O)c1cccc([O-])c1 ZINC000040494910 343986127 /nfs/dbraw/zinc/98/61/27/343986127.db2.gz ACSBGPJEKWOANL-UHFFFAOYSA-N -1 3 207.273 2.168 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000192619091 178202546 /nfs/dbraw/zinc/20/25/46/178202546.db2.gz PECDCQMLVSTTID-UTUOFQBUSA-N -1 3 247.342 2.284 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CC(C)C)n1 ZINC000268480153 178202856 /nfs/dbraw/zinc/20/28/56/178202856.db2.gz ZZGPEZIGHPPWJC-SNVBAGLBSA-N -1 3 223.320 2.139 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CCC2CC2)n1 ZINC000192695558 178203028 /nfs/dbraw/zinc/20/30/28/178203028.db2.gz ACIOOBHFGWJFMA-SNVBAGLBSA-N -1 3 235.331 2.284 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ncccn2)n1 ZINC000177898033 178203180 /nfs/dbraw/zinc/20/31/80/178203180.db2.gz WZCBGJKXJVUYJI-QMMMGPOBSA-N -1 3 248.311 2.134 20 0 BEADHM Cc1cc2c([n-]c([C@H]3CCCO3)nc2=O)s1 ZINC000178985295 178276281 /nfs/dbraw/zinc/27/62/81/178276281.db2.gz JKFVFPPPMQSOFB-MRVPVSSYSA-N -1 3 236.296 2.145 20 0 BEADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@H]1C1CC1 ZINC000175860792 365610564 /nfs/dbraw/zinc/61/05/64/365610564.db2.gz AVYORRSDQIYRQL-VHSXEESVSA-N -1 3 217.268 2.377 20 0 BEADHM CCC(C)(C)CNC(=O)c1c([O-])cccc1O ZINC000232823267 136229927 /nfs/dbraw/zinc/22/99/27/136229927.db2.gz DALPQKWYZUOKHH-UHFFFAOYSA-N -1 3 237.299 2.264 20 0 BEADHM C[C@@H](CC1CCC1)NC(=O)c1csc(=O)[n-]1 ZINC000634369708 361827534 /nfs/dbraw/zinc/82/75/34/361827534.db2.gz GYCVYTALNBVWRB-ZETCQYMHSA-N -1 3 240.328 2.157 20 0 BEADHM Cc1ccc(C(=O)N(C)C2CCC2)c([O-])c1 ZINC000126348131 178374886 /nfs/dbraw/zinc/37/48/86/178374886.db2.gz KAUALNTVLBNMHX-UHFFFAOYSA-N -1 3 219.284 2.325 20 0 BEADHM Cc1ccc(C(=O)N2C[C@@H](C)[C@H]2C)c([O-])c1 ZINC000294416532 178398046 /nfs/dbraw/zinc/39/80/46/178398046.db2.gz ZFNAFOQWRBHYKF-NXEZZACHSA-N -1 3 219.284 2.181 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)OCC1CC1 ZINC000179546451 538955692 /nfs/dbraw/zinc/95/56/92/538955692.db2.gz GITRAFPEVKDHBK-SNVBAGLBSA-N -1 3 249.310 2.454 20 0 BEADHM C[C@H](CC1CCC1)NC(=O)Cc1cncc([O-])c1 ZINC000634371793 361838193 /nfs/dbraw/zinc/83/81/93/361838193.db2.gz ZNNLCIPHOAJFHA-SNVBAGLBSA-N -1 3 248.326 2.025 20 0 BEADHM Cc1ccc(NC(=O)c2ccc[nH]2)c([O-])c1 ZINC000040420656 538971372 /nfs/dbraw/zinc/97/13/72/538971372.db2.gz FDABXLUHNFBYCR-UHFFFAOYSA-N -1 3 216.240 2.281 20 0 BEADHM C/C=C/CN=c1[n-]c(C(C)=O)c(C)s1 ZINC000624656646 342810305 /nfs/dbraw/zinc/81/03/05/342810305.db2.gz WZKXPOXUWHFQJS-SNAWJCMRSA-N -1 3 210.302 2.064 20 0 BEADHM Cc1ccc([O-])c(CNC(C)(C)C(F)F)n1 ZINC000381388388 538999764 /nfs/dbraw/zinc/99/97/64/538999764.db2.gz NIZFJWHYUTTXEX-UHFFFAOYSA-N -1 3 230.258 2.229 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](F)C1 ZINC000628012400 342871511 /nfs/dbraw/zinc/87/15/11/342871511.db2.gz KLJPNWAHMIGBSX-JTQLQIEISA-N -1 3 237.274 2.275 20 0 BEADHM C[C@@H]1CCc2[n-]n(C3CCCC3)c(=O)c21 ZINC000634587893 342932379 /nfs/dbraw/zinc/93/23/79/342932379.db2.gz BTUZDQXKLHPFOE-LDYMZIIASA-N -1 3 206.289 2.173 20 0 BEADHM C[C@H]1CC(C)(C)CN1c1ccncc1C(=O)[O-] ZINC000566291832 398332568 /nfs/dbraw/zinc/33/25/68/398332568.db2.gz VLVJPURJARDAFH-VIFPVBQESA-N -1 3 234.299 2.405 20 0 BEADHM C[C@H]1CCc2[n-]n(CC3CCCC3)c(=O)c21 ZINC000634591474 342942099 /nfs/dbraw/zinc/94/20/99/342942099.db2.gz DYHWARFURUFSOB-CABZTGNLSA-N -1 3 220.316 2.421 20 0 BEADHM CCc1[n-]n([C@H]2CCCOC2)c(=O)c1C(C)C ZINC000634623006 343023650 /nfs/dbraw/zinc/02/36/50/343023650.db2.gz VBCJATBWNMZQFT-JQWIXIFHSA-N -1 3 238.331 2.046 20 0 BEADHM Cc1ccc([O-])c(CNCc2cnccc2C)n1 ZINC000162623790 349755840 /nfs/dbraw/zinc/75/58/40/349755840.db2.gz IQNGXSDNOIDTTH-UHFFFAOYSA-N -1 3 243.310 2.089 20 0 BEADHM CCCc1cc(C(=O)[N-]c2cc(C)on2)no1 ZINC000002498062 346922863 /nfs/dbraw/zinc/92/28/63/346922863.db2.gz LPAMUQHYMCIQGI-UHFFFAOYSA-N -1 3 235.243 2.176 20 0 BEADHM Cc1ccc(F)c(CN(CC(=O)[O-])C2CC2)c1 ZINC000235901365 343066723 /nfs/dbraw/zinc/06/67/23/343066723.db2.gz JLVQEWAIAUZKIJ-UHFFFAOYSA-N -1 3 237.274 2.183 20 0 BEADHM C[C@@H]1OCC[C@H]1COc1ccc2c([O-])coc2c1 ZINC000634552650 362044221 /nfs/dbraw/zinc/04/42/21/362044221.db2.gz NBIOURAAOULDAW-UWVGGRQHSA-N -1 3 248.278 2.066 20 0 BEADHM C[C@H]1OCC[C@H]1COc1ccc2c([O-])coc2c1 ZINC000634552652 362044229 /nfs/dbraw/zinc/04/42/29/362044229.db2.gz NBIOURAAOULDAW-ZJUUUORDSA-N -1 3 248.278 2.066 20 0 BEADHM CCCOc1ccc2c([O-])coc2c1C ZINC000634560316 362049545 /nfs/dbraw/zinc/04/95/45/362049545.db2.gz DNBGKGLDQUMELQ-UHFFFAOYSA-N -1 3 206.241 2.359 20 0 BEADHM CC[C@H](NCc1cccc([O-])c1Cl)[C@H](C)O ZINC000386736847 343107069 /nfs/dbraw/zinc/10/70/69/343107069.db2.gz CLFQOHXOBRIHKI-WPRPVWTQSA-N -1 3 243.734 2.295 20 0 BEADHM C[C@@H]1CCN(Cc2occc2C(=O)[O-])C[C@@H]1C ZINC000130276080 343180884 /nfs/dbraw/zinc/18/08/84/343180884.db2.gz UIWRDRMLEBNSNS-ZJUUUORDSA-N -1 3 237.299 2.456 20 0 BEADHM CC1(C)CCN(c2ccncc2C(=O)[O-])CC1 ZINC000126163612 343168982 /nfs/dbraw/zinc/16/89/82/343168982.db2.gz ZEXGALXEZXBEAO-UHFFFAOYSA-N -1 3 234.299 2.406 20 0 BEADHM Cc1ccc(CN(C)Cc2ncccc2[O-])o1 ZINC000576931916 365724270 /nfs/dbraw/zinc/72/42/70/365724270.db2.gz CBIGRLRTMYYTCE-UHFFFAOYSA-N -1 3 232.283 2.321 20 0 BEADHM C[C@@H]1C[C@H](C)CN1Cc1ccc(C(=O)[O-])cn1 ZINC000164540559 343207792 /nfs/dbraw/zinc/20/77/92/343207792.db2.gz OLTXYGYFIDSFMK-VHSXEESVSA-N -1 3 234.299 2.010 20 0 BEADHM CSCCN(C)Cc1cccc(C(=O)[O-])c1 ZINC000167580792 343208924 /nfs/dbraw/zinc/20/89/24/343208924.db2.gz KPHVJLISUOGPNB-UHFFFAOYSA-N -1 3 239.340 2.180 20 0 BEADHM C[C@@H](CN(C)Cc1ccc(F)cc1F)C(=O)[O-] ZINC000050885401 343221704 /nfs/dbraw/zinc/22/17/04/343221704.db2.gz RPVBPGIRHGDZEE-QMMMGPOBSA-N -1 3 243.253 2.117 20 0 BEADHM CN(Cc1cc([O-])ccc1Cl)C1CC(O)C1 ZINC000625324881 343233241 /nfs/dbraw/zinc/23/32/41/343233241.db2.gz WHUKUDCIVLDHHV-UHFFFAOYSA-N -1 3 241.718 2.001 20 0 BEADHM CC(=O)c1c[nH]c(C(=O)Nc2ccccc2[O-])c1 ZINC000139675656 136277346 /nfs/dbraw/zinc/27/73/46/136277346.db2.gz CTXGTTFFEBMPNZ-UHFFFAOYSA-N -1 3 244.250 2.175 20 0 BEADHM CSCc1nc(-c2ccc([O-])cc2)no1 ZINC000069629987 343287245 /nfs/dbraw/zinc/28/72/45/343287245.db2.gz NDRCIUOIBTVHOA-UHFFFAOYSA-N -1 3 222.269 2.305 20 0 BEADHM CCCN(C)Cc1cc(C(=O)[O-])oc1C ZINC000051361381 343256010 /nfs/dbraw/zinc/25/60/10/343256010.db2.gz TZZTZGFTTDTMDN-UHFFFAOYSA-N -1 3 211.261 2.128 20 0 BEADHM CN(CCCCO)Cc1cc([O-])ccc1Cl ZINC000625366191 343260924 /nfs/dbraw/zinc/26/09/24/343260924.db2.gz LZVLJJOMZXRSSJ-UHFFFAOYSA-N -1 3 243.734 2.250 20 0 BEADHM CCN(C(=O)c1ccc(OC)cc1[O-])C(C)C ZINC000037082603 343333241 /nfs/dbraw/zinc/33/32/41/343333241.db2.gz GHWCXMPYAFPNIA-UHFFFAOYSA-N -1 3 237.299 2.271 20 0 BEADHM O=C(Nc1ccccc1[O-])[C@@H]1CC12CC2 ZINC000335640799 136308245 /nfs/dbraw/zinc/30/82/45/136308245.db2.gz UZICEIMGCWTELY-QMMMGPOBSA-N -1 3 203.241 2.131 20 0 BEADHM Cc1cc(C(=O)N2CCCCCO2)ccc1[O-] ZINC000335724362 136346522 /nfs/dbraw/zinc/34/65/22/136346522.db2.gz HWFWTGGYUJVKTH-UHFFFAOYSA-N -1 3 235.283 2.258 20 0 BEADHM C[C@@H]1N(C(=O)c2ccccc2[O-])CCOC1(C)C ZINC000335734072 136349665 /nfs/dbraw/zinc/34/96/65/136349665.db2.gz VRXSDIXQRUFQJE-JTQLQIEISA-N -1 3 249.310 2.032 20 0 BEADHM C[C@H]1N(C(=O)c2ccccc2[O-])CCOC1(C)C ZINC000335734073 136349999 /nfs/dbraw/zinc/34/99/99/136349999.db2.gz VRXSDIXQRUFQJE-SNVBAGLBSA-N -1 3 249.310 2.032 20 0 BEADHM Cc1ccc([O-])c(CN2[C@@H](C)C[C@@H]2C)n1 ZINC000335850633 136355470 /nfs/dbraw/zinc/35/54/70/136355470.db2.gz ZMTLBMGDUNSHCK-UWVGGRQHSA-N -1 3 206.289 2.078 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC[C@H]2C[C@@H]2C)c1 ZINC000043115448 343463379 /nfs/dbraw/zinc/46/33/79/343463379.db2.gz ZBWSMDYELUYMRK-VHSXEESVSA-N -1 3 219.284 2.086 20 0 BEADHM O=C(COC1CCCC1)Nc1ccccc1[O-] ZINC000045012469 343520998 /nfs/dbraw/zinc/52/09/98/343520998.db2.gz HYCJORVUDKRZCL-UHFFFAOYSA-N -1 3 235.283 2.290 20 0 BEADHM O=C(Nc1ncccc1[O-])C1(C(F)F)CCC1 ZINC000632400154 346949649 /nfs/dbraw/zinc/94/96/49/346949649.db2.gz HZQLUOVCVIHVQM-UHFFFAOYSA-N -1 3 242.225 2.161 20 0 BEADHM CC(C)(C(=O)N=c1cc2ccccn2[n-]1)C1CC1 ZINC000584191967 343771354 /nfs/dbraw/zinc/77/13/54/343771354.db2.gz JJAHJRQZKZOEPN-UHFFFAOYSA-N -1 3 243.310 2.131 20 0 BEADHM CC1(C)CCCN1C(=O)c1ccccc1[O-] ZINC000063072954 343748427 /nfs/dbraw/zinc/74/84/27/343748427.db2.gz RSKONNWDXORZHR-UHFFFAOYSA-N -1 3 219.284 2.407 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CC1(C)C ZINC000625525083 343917261 /nfs/dbraw/zinc/91/72/61/343917261.db2.gz QPANGNACCOSTTC-SNVBAGLBSA-N -1 3 233.311 2.477 20 0 BEADHM Cc1cc(C(=O)N2CC[C@@H]3C[C@@H]3C2)ccc1[O-] ZINC000619356037 343922716 /nfs/dbraw/zinc/92/27/16/343922716.db2.gz BCCBXKJHJGIMDX-ZYHUDNBSSA-N -1 3 231.295 2.183 20 0 BEADHM CCc1ccc(C(=O)N2CC[C@@H]2C)c([O-])c1 ZINC000641241204 362300697 /nfs/dbraw/zinc/30/06/97/362300697.db2.gz LNRSRXRSICHWFV-VIFPVBQESA-N -1 3 219.284 2.189 20 0 BEADHM CC[C@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132694569 344547813 /nfs/dbraw/zinc/54/78/13/344547813.db2.gz VDCULZAJTXYUEJ-QMMMGPOBSA-N -1 3 225.263 2.194 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC1CC(C)C1 ZINC000625971706 344631323 /nfs/dbraw/zinc/63/13/23/344631323.db2.gz USCAPRQDNUOWBK-UHFFFAOYSA-N -1 3 219.284 2.229 20 0 BEADHM O=C(NCC[C@@H]1CC1(F)F)c1cccc([O-])c1 ZINC000623033240 347068678 /nfs/dbraw/zinc/06/86/78/347068678.db2.gz JPAIZRWOTKBVDP-SECBINFHSA-N -1 3 241.237 2.167 20 0 BEADHM CC(C)C[C@H](C)CSCCc1nnn[n-]1 ZINC000603341309 349918562 /nfs/dbraw/zinc/91/85/62/349918562.db2.gz NZCOCABGITWDAU-VIFPVBQESA-N -1 3 228.365 2.158 20 0 BEADHM CC(C)C[C@H](C)CSCCc1nn[n-]n1 ZINC000603341309 349918565 /nfs/dbraw/zinc/91/85/65/349918565.db2.gz NZCOCABGITWDAU-VIFPVBQESA-N -1 3 228.365 2.158 20 0 BEADHM C[C@H]1CCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000565308871 323084093 /nfs/dbraw/zinc/08/40/93/323084093.db2.gz DFKSJKSJFOUDCL-QMMMGPOBSA-N -1 3 225.313 2.288 20 0 BEADHM Cc1cccc(CNCCCCC(=O)[O-])c1F ZINC000635313807 345304612 /nfs/dbraw/zinc/30/46/12/345304612.db2.gz PMDGVVBCKZPYRE-UHFFFAOYSA-N -1 3 239.290 2.479 20 0 BEADHM CC1(C)C[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000134212775 345404434 /nfs/dbraw/zinc/40/44/34/345404434.db2.gz NABRPLVNVCAPJU-SECBINFHSA-N -1 3 237.274 2.194 20 0 BEADHM Cc1cccc(C)c1CSCCc1nnn[n-]1 ZINC000603338527 349929345 /nfs/dbraw/zinc/92/93/45/349929345.db2.gz LPUGGWXBFKCULB-UHFFFAOYSA-N -1 3 248.355 2.292 20 0 BEADHM Cc1cccc(C)c1CSCCc1nn[n-]n1 ZINC000603338527 349929346 /nfs/dbraw/zinc/92/93/46/349929346.db2.gz LPUGGWXBFKCULB-UHFFFAOYSA-N -1 3 248.355 2.292 20 0 BEADHM C[C@@H](CSCCc1nnn[n-]1)c1ccccc1 ZINC000603339037 349929354 /nfs/dbraw/zinc/92/93/54/349929354.db2.gz MCXCSIUNYYIBMM-JTQLQIEISA-N -1 3 248.355 2.279 20 0 BEADHM C[C@@H](CSCCc1nn[n-]n1)c1ccccc1 ZINC000603339037 349929355 /nfs/dbraw/zinc/92/93/55/349929355.db2.gz MCXCSIUNYYIBMM-JTQLQIEISA-N -1 3 248.355 2.279 20 0 BEADHM Cc1ccc(C(=O)N2CCC2(C)C)c([O-])c1 ZINC000094167424 345682180 /nfs/dbraw/zinc/68/21/80/345682180.db2.gz IFDSRZHISIYLDT-UHFFFAOYSA-N -1 3 219.284 2.325 20 0 BEADHM Cc1cc(C(=O)[N-]c2nc(C)c(C)s2)on1 ZINC000139912194 345698732 /nfs/dbraw/zinc/69/87/32/345698732.db2.gz AAPPWZKEIDODOP-UHFFFAOYSA-N -1 3 237.284 2.309 20 0 BEADHM O=C(NC1CC=CC1)c1cc([O-])ccc1Cl ZINC000236609185 537920013 /nfs/dbraw/zinc/92/00/13/537920013.db2.gz YOHWLQBABQXRGP-UHFFFAOYSA-N -1 3 237.686 2.494 20 0 BEADHM CC1(C)C[C@H](NC(=O)c2ccccc2[O-])CCO1 ZINC000148577143 346037261 /nfs/dbraw/zinc/03/72/61/346037261.db2.gz JAJAPSPFJBSBES-SNVBAGLBSA-N -1 3 249.310 2.080 20 0 BEADHM Cc1cccc(C(=O)N2CCCCC2)c1[O-] ZINC000019837688 179006710 /nfs/dbraw/zinc/00/67/10/179006710.db2.gz DCRZZYXLLVLQFZ-UHFFFAOYSA-N -1 3 219.284 2.327 20 0 BEADHM Cc1cccc(C(=O)N[C@H]2C[C@@H]2C(F)F)c1[O-] ZINC000336380381 179024488 /nfs/dbraw/zinc/02/44/88/179024488.db2.gz TZXJUESIBNPLBW-IUCAKERBSA-N -1 3 241.237 2.084 20 0 BEADHM Cc1cccc(C(=O)N[C@@H](C)C(F)(F)F)c1[O-] ZINC000288724254 179020070 /nfs/dbraw/zinc/02/00/70/179020070.db2.gz WVOAAWICRSLXRC-ZETCQYMHSA-N -1 3 247.216 2.381 20 0 BEADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000187473568 346578602 /nfs/dbraw/zinc/57/86/02/346578602.db2.gz BWELHIBMGJFADD-RKDXNWHRSA-N -1 3 246.314 2.122 20 0 BEADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000187473568 346578603 /nfs/dbraw/zinc/57/86/03/346578603.db2.gz BWELHIBMGJFADD-RKDXNWHRSA-N -1 3 246.314 2.122 20 0 BEADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000187473568 346578605 /nfs/dbraw/zinc/57/86/05/346578605.db2.gz BWELHIBMGJFADD-RKDXNWHRSA-N -1 3 246.314 2.122 20 0 BEADHM Cc1cc(C(=O)N2CCC(F)(F)C2)ccc1[O-] ZINC000202526050 346607333 /nfs/dbraw/zinc/60/73/33/346607333.db2.gz ADVJBQNXNOBYFV-UHFFFAOYSA-N -1 3 241.237 2.182 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCC[C@@H](O)C1 ZINC000336432940 179159882 /nfs/dbraw/zinc/15/98/82/179159882.db2.gz YEZRYCDZETUFKA-GHMZBOCLSA-N -1 3 249.310 2.190 20 0 BEADHM Cc1cccc([O-])c1NC(=O)C[C@@](C)(O)C1CC1 ZINC000272566159 179160136 /nfs/dbraw/zinc/16/01/36/179160136.db2.gz UTAHDMHDOKFEFK-CQSZACIVSA-N -1 3 249.310 2.190 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000272471567 179160612 /nfs/dbraw/zinc/16/06/12/179160612.db2.gz LIGZPMSVAPNMRY-WDEREUQCSA-N -1 3 249.310 2.454 20 0 BEADHM CO[C@H](C)CN(Cc1ncccc1[O-])C(C)C ZINC000580676888 365871930 /nfs/dbraw/zinc/87/19/30/365871930.db2.gz FGYMFUNHAFJQKB-LLVKDONJSA-N -1 3 238.331 2.033 20 0 BEADHM Cc1sc(C(=O)[O-])cc1CN1CCCC1 ZINC000087794327 362788169 /nfs/dbraw/zinc/78/81/69/362788169.db2.gz MVDVPFPSMFYNRL-UHFFFAOYSA-N -1 3 225.313 2.351 20 0 BEADHM CCCCN(C)C(=O)c1cccc([O-])c1 ZINC000019838850 347361272 /nfs/dbraw/zinc/36/12/72/347361272.db2.gz VGKAUDMCSKKBKE-UHFFFAOYSA-N -1 3 207.273 2.264 20 0 BEADHM CC1(C(=O)Nc2ccc([O-])cc2Cl)COC1 ZINC000616941304 347510956 /nfs/dbraw/zinc/51/09/56/347510956.db2.gz ZHCYPDSCYOFGON-UHFFFAOYSA-N -1 3 241.674 2.021 20 0 BEADHM O=c1[n-]c(-c2ccco2)nc2cccc(F)c12 ZINC000591726110 347688358 /nfs/dbraw/zinc/68/83/58/347688358.db2.gz FFCSDNAVJDVULB-UHFFFAOYSA-N -1 3 230.198 2.322 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCSC1 ZINC000082879333 348917621 /nfs/dbraw/zinc/91/76/21/348917621.db2.gz HHTYAPZAWBXXBG-SSDOTTSWSA-N -1 3 241.287 2.223 20 0 BEADHM C[C@@H]1CCN(Cc2occc2C(=O)[O-])C[C@H]1C ZINC000253079175 349226118 /nfs/dbraw/zinc/22/61/18/349226118.db2.gz UIWRDRMLEBNSNS-NXEZZACHSA-N -1 3 237.299 2.456 20 0 BEADHM CC[C@@H]1CC[C@@H](C)N1Cc1oncc1C(=O)[O-] ZINC000304629457 350158967 /nfs/dbraw/zinc/15/89/67/350158967.db2.gz QKQYEJPJHZJUGM-RKDXNWHRSA-N -1 3 238.287 2.136 20 0 BEADHM CC(=O)[C@@H](C)S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000121730474 191072186 /nfs/dbraw/zinc/07/21/86/191072186.db2.gz BFPYKLTZZFWFBJ-BDAKNGLRSA-N -1 3 240.328 2.262 20 0 BEADHM CCN(Cc1ccc(F)cc1F)[C@@H](C)C(=O)[O-] ZINC000604773065 350186585 /nfs/dbraw/zinc/18/65/85/350186585.db2.gz IPXXSYRPHDLWFR-QMMMGPOBSA-N -1 3 243.253 2.260 20 0 BEADHM O=c1[n-]c(-c2ccc(O)cn2)nc2ccccc21 ZINC000427453921 191075726 /nfs/dbraw/zinc/07/57/26/191075726.db2.gz UNRJAYIAQRKJGL-UHFFFAOYSA-N -1 3 239.234 2.103 20 0 BEADHM Cc1cccc(C(=O)N[C@@]23C[C@@H]2CCC3)c1[O-] ZINC000617202987 350348957 /nfs/dbraw/zinc/34/89/57/350348957.db2.gz WIJNBAPAPUMSIN-HZMBPMFUSA-N -1 3 231.295 2.373 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@@]23C[C@@H]2CCC3)c1 ZINC000617203187 350349803 /nfs/dbraw/zinc/34/98/03/350349803.db2.gz YQHMGCAYIAPVIN-HZMBPMFUSA-N -1 3 231.295 2.373 20 0 BEADHM C[C@@H]1c2ccc(F)cc2CCN1CCC(=O)[O-] ZINC000606540383 350357030 /nfs/dbraw/zinc/35/70/30/350357030.db2.gz LFXBTDMEWCKURJ-SECBINFHSA-N -1 3 237.274 2.220 20 0 BEADHM COc1ccc(C(=O)N2C[C@H](C)C[C@@H]2C)c([O-])c1 ZINC000162940667 350472803 /nfs/dbraw/zinc/47/28/03/350472803.db2.gz HJKIJUBPMSZUFL-ZJUUUORDSA-N -1 3 249.310 2.271 20 0 BEADHM Cc1nn(C)cc1[C@@H](C)[N-]c1nc(C(C)C)no1 ZINC000189596231 180380593 /nfs/dbraw/zinc/38/05/93/180380593.db2.gz QMMNBSPWPVHAQX-MRVPVSSYSA-N -1 3 249.318 2.408 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CCC=C(F)C1 ZINC000626350232 350992133 /nfs/dbraw/zinc/99/21/33/350992133.db2.gz VPQHFHJHLSAHLU-UHFFFAOYSA-N -1 3 235.258 2.400 20 0 BEADHM O=C([N-]c1cccc(F)c1F)c1ccon1 ZINC000128971046 350949881 /nfs/dbraw/zinc/94/98/81/350949881.db2.gz DIVQIASAVHYFBU-UHFFFAOYSA-N -1 3 224.166 2.205 20 0 BEADHM C[C@H]1OCC[C@@H]1SCc1ncccc1[O-] ZINC000577817488 366068648 /nfs/dbraw/zinc/06/86/48/366068648.db2.gz JYJMTDRPHLGYSG-KCJUWKMLSA-N -1 3 225.313 2.198 20 0 BEADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000333785594 187540142 /nfs/dbraw/zinc/54/01/42/187540142.db2.gz WIBSWIPWSZILCG-LDYMZIIASA-N -1 3 240.328 2.013 20 0 BEADHM C[C@@H]1C[C@@H]1c1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000335963782 538102075 /nfs/dbraw/zinc/10/20/75/538102075.db2.gz BCGNQBIBOLYGRX-SVRRBLITSA-N -1 3 216.240 2.164 20 0 BEADHM Cc1cccc([O-])c1NC(=O)Cc1ccco1 ZINC000335969033 538102132 /nfs/dbraw/zinc/10/21/32/538102132.db2.gz OYOLBNZSHRYSFX-UHFFFAOYSA-N -1 3 231.251 2.475 20 0 BEADHM CCCN(CC)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000411358484 191180408 /nfs/dbraw/zinc/18/04/08/191180408.db2.gz CDOSXOZSNHMDJV-UHFFFAOYSA-N -1 3 249.310 2.467 20 0 BEADHM CCN(Cc1cccc([O-])c1Cl)[C@H](C)CO ZINC000293878638 352363438 /nfs/dbraw/zinc/36/34/38/352363438.db2.gz JMQYFQGPSZUNJN-SECBINFHSA-N -1 3 243.734 2.248 20 0 BEADHM O=C(N[C@@H]1CCC[C@@H]1F)c1cccc([O-])c1 ZINC000334173213 352758048 /nfs/dbraw/zinc/75/80/48/352758048.db2.gz BSUMYSFHDMKLSU-WDEREUQCSA-N -1 3 223.247 2.013 20 0 BEADHM CSc1ccc(C)c(NC(=O)c2cnn[n-]2)c1 ZINC000334177321 352762697 /nfs/dbraw/zinc/76/26/97/352762697.db2.gz APMNHCKXRVBPFD-UHFFFAOYSA-N -1 3 248.311 2.087 20 0 BEADHM CSc1ccc(C)c(NC(=O)c2c[n-]nn2)c1 ZINC000334177321 352762700 /nfs/dbraw/zinc/76/27/00/352762700.db2.gz APMNHCKXRVBPFD-UHFFFAOYSA-N -1 3 248.311 2.087 20 0 BEADHM CSc1ccc(C)c(NC(=O)c2cn[n-]n2)c1 ZINC000334177321 352762702 /nfs/dbraw/zinc/76/27/02/352762702.db2.gz APMNHCKXRVBPFD-UHFFFAOYSA-N -1 3 248.311 2.087 20 0 BEADHM O=C([O-])CCCCCN1CCC(F)(F)CC1 ZINC000405071027 352786594 /nfs/dbraw/zinc/78/65/94/352786594.db2.gz WLAWXKOFBCZAME-UHFFFAOYSA-N -1 3 235.274 2.363 20 0 BEADHM Cc1conc1[N-]C(=O)c1sccc1Cl ZINC000334303318 352940352 /nfs/dbraw/zinc/94/03/52/352940352.db2.gz CZGPHWWBMBQFQW-UHFFFAOYSA-N -1 3 242.687 2.372 20 0 BEADHM C[C@H](CC(=O)Nc1ncccc1[O-])C(F)(F)F ZINC000626423906 353112624 /nfs/dbraw/zinc/11/26/24/353112624.db2.gz WDMLANKAGPMNBH-ZCFIWIBFSA-N -1 3 248.204 2.314 20 0 BEADHM CC(C)[C@H]1CCN1C(=O)c1cccc([O-])c1 ZINC000334224847 535200786 /nfs/dbraw/zinc/20/07/86/535200786.db2.gz DFVBRBLWDVCHER-GFCCVEGCSA-N -1 3 219.284 2.263 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@H]2C)c1 ZINC000177028428 188079890 /nfs/dbraw/zinc/07/98/90/188079890.db2.gz KDYSKKUMLRJMSE-NXEZZACHSA-N -1 3 249.310 2.271 20 0 BEADHM Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)c([O-])c1 ZINC000174100944 188080161 /nfs/dbraw/zinc/08/01/61/188080161.db2.gz IAEIIJQCKONTBD-TXEJJXNPSA-N -1 3 245.322 2.429 20 0 BEADHM CC(C)Cn1ccnc1[N-]C(=O)C(F)(F)F ZINC000263756482 188193106 /nfs/dbraw/zinc/19/31/06/188193106.db2.gz YBJOVHNGCKBVNF-UHFFFAOYSA-N -1 3 235.209 2.040 20 0 BEADHM CC[C@H]1CCN1C(=O)c1cccc(C)c1[O-] ZINC000293946394 188213287 /nfs/dbraw/zinc/21/32/87/188213287.db2.gz ISDKEMVPYBHYDT-JTQLQIEISA-N -1 3 219.284 2.325 20 0 BEADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)[N-]OC/C=C/Cl ZINC000291434968 188211532 /nfs/dbraw/zinc/21/15/32/188211532.db2.gz ARLSTCCZDSZQOT-ANNNZRCOSA-N -1 3 231.723 2.469 20 0 BEADHM O=C([O-])[C@@H]1CC12CCN([C@H]1C=CCCC1)CC2 ZINC000405314583 353496967 /nfs/dbraw/zinc/49/69/67/353496967.db2.gz HZKLSVVHYIXGBB-RYUDHWBXSA-N -1 3 235.327 2.282 20 0 BEADHM COC(C)(C)CC(=O)[N-]OCc1ccccc1 ZINC000230940054 353555168 /nfs/dbraw/zinc/55/51/68/353555168.db2.gz VVOOKCNMFXQHHR-UHFFFAOYSA-N -1 3 237.299 2.050 20 0 BEADHM C[C@@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000192899503 353566492 /nfs/dbraw/zinc/56/64/92/353566492.db2.gz FIGGHJCIFQTAEJ-SECBINFHSA-N -1 3 235.283 2.112 20 0 BEADHM CC[C@@H]1CCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000037915241 358479940 /nfs/dbraw/zinc/47/99/40/358479940.db2.gz AQMGUWFBFHVZNA-SNVBAGLBSA-N -1 3 249.310 2.415 20 0 BEADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])on1 ZINC000178329989 366114426 /nfs/dbraw/zinc/11/44/26/366114426.db2.gz OKWOMRIEPIKVMV-UHFFFAOYSA-N -1 3 236.202 2.080 20 0 BEADHM CC[C@H]1CCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000334645847 354435833 /nfs/dbraw/zinc/43/58/33/354435833.db2.gz NXXDUXQZNYERPY-NSHDSACASA-N -1 3 247.294 2.219 20 0 BEADHM CCc1occc1C(=O)N=c1[n-]oc(C)c1C ZINC000334659465 354455828 /nfs/dbraw/zinc/45/58/28/354455828.db2.gz BGHZKTSSPWOJRD-UHFFFAOYSA-N -1 3 234.255 2.121 20 0 BEADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2C)cc1[O-] ZINC000334810548 354567563 /nfs/dbraw/zinc/56/75/63/354567563.db2.gz ZSMSPUIKIKHVJB-SECBINFHSA-N -1 3 247.294 2.219 20 0 BEADHM C[C@]1(C(=O)Nc2cc(F)ccc2[O-])C[C@H]1F ZINC000335106718 354691499 /nfs/dbraw/zinc/69/14/99/354691499.db2.gz HBPLIDSNFHHIDG-KOLCDFICSA-N -1 3 227.210 2.218 20 0 BEADHM Cc1ccc([O-])c(NC(=O)CCc2ccco2)n1 ZINC000345988145 354833674 /nfs/dbraw/zinc/83/36/74/354833674.db2.gz OTLWNRAOWHFJJS-UHFFFAOYSA-N -1 3 246.266 2.260 20 0 BEADHM C[C@@H](C(=O)Nc1ncccc1[O-])c1ccco1 ZINC000608348484 355362786 /nfs/dbraw/zinc/36/27/86/355362786.db2.gz BIWLXZOTUZBKSG-MRVPVSSYSA-N -1 3 232.239 2.122 20 0 BEADHM CN(Cc1ccccc1)C(=O)c1csc(=O)[n-]1 ZINC000335781043 355428164 /nfs/dbraw/zinc/42/81/64/355428164.db2.gz GJAIOXZEBGDXGR-UHFFFAOYSA-N -1 3 248.307 2.121 20 0 BEADHM CCC(C)(C)N(C)C(=O)c1csc(=O)[n-]1 ZINC000335787612 355437684 /nfs/dbraw/zinc/43/76/84/355437684.db2.gz LMRKDXBCWBQXAT-UHFFFAOYSA-N -1 3 228.317 2.109 20 0 BEADHM C[C@H]1[C@H](C(=O)Nc2ccc([O-])cc2F)C1(F)F ZINC000335856092 355600170 /nfs/dbraw/zinc/60/01/70/355600170.db2.gz BCYZCEXBRAZZDO-SSDLBLMSSA-N -1 3 245.200 2.371 20 0 BEADHM C[C@H](N(C)C(=O)c1csc(=O)[n-]1)C(C)(C)C ZINC000336053595 134065245 /nfs/dbraw/zinc/06/52/45/134065245.db2.gz RJXYVFQXQCRJCK-ZETCQYMHSA-N -1 3 242.344 2.355 20 0 BEADHM CCc1csc([N-]C(=O)c2cc(C)no2)n1 ZINC000336470682 356376695 /nfs/dbraw/zinc/37/66/95/356376695.db2.gz XLSUYGMSAWRSNP-UHFFFAOYSA-N -1 3 237.284 2.254 20 0 BEADHM Cc1co[n-]c1=NC(=O)c1cccc(C(C)C)n1 ZINC000336150995 134103825 /nfs/dbraw/zinc/10/38/25/134103825.db2.gz HGKCCUZEVRCMFR-UHFFFAOYSA-N -1 3 245.282 2.176 20 0 BEADHM CSC1(C(=O)Nc2ccccc2[O-])CC1 ZINC000190171176 356434280 /nfs/dbraw/zinc/43/42/80/356434280.db2.gz PPLMEGFOVMTHEQ-UHFFFAOYSA-N -1 3 223.297 2.226 20 0 BEADHM Cc1ccn(C)c1C(=O)Nc1ccc([O-])cc1F ZINC000190461330 356442713 /nfs/dbraw/zinc/44/27/13/356442713.db2.gz UIUZELDRPKGNBR-UHFFFAOYSA-N -1 3 248.257 2.431 20 0 BEADHM Cc1cccc([O-])c1NC(=O)c1cccn1C ZINC000179562044 366271676 /nfs/dbraw/zinc/27/16/76/366271676.db2.gz LXGMKCKNFIEVAE-UHFFFAOYSA-N -1 3 230.267 2.291 20 0 BEADHM CC(C)=Cc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000350491670 366284563 /nfs/dbraw/zinc/28/45/63/366284563.db2.gz XETDVRZPYVGYNF-UHFFFAOYSA-N -1 3 241.254 2.431 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@H]2CCC[C@@H]2CC)c1C ZINC000449847379 202043910 /nfs/dbraw/zinc/04/39/10/202043910.db2.gz AUQWNBIXGYNKKC-QWRGUYRKSA-N -1 3 249.358 2.467 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CC[C@@H]1C ZINC000627213369 363510222 /nfs/dbraw/zinc/51/02/22/363510222.db2.gz GSFRHXNRKONGOA-WCBMZHEXSA-N -1 3 219.284 2.229 20 0 BEADHM Cn1ccc(-c2noc(-c3ccccc3[O-])n2)c1 ZINC000350614424 366310885 /nfs/dbraw/zinc/31/08/85/366310885.db2.gz TYVHRMWYBMMKBG-UHFFFAOYSA-N -1 3 241.250 2.448 20 0 BEADHM CC(C)[C@H](NC(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000323940378 356665835 /nfs/dbraw/zinc/66/58/35/356665835.db2.gz JOPYADYTMRYQLH-ZDUSSCGKSA-N -1 3 249.310 2.262 20 0 BEADHM CC(C)=CCN=c1[n-]c(C(C)=O)c(C)s1 ZINC000450476002 202176623 /nfs/dbraw/zinc/17/66/23/202176623.db2.gz MDVOXNFDSXWSEK-UHFFFAOYSA-N -1 3 224.329 2.454 20 0 BEADHM CC[C@@H]1C[C@H]1C(=O)Nc1nc(C)ccc1[O-] ZINC000450531497 202190249 /nfs/dbraw/zinc/19/02/49/202190249.db2.gz IMDCBTUXKNITOY-RKDXNWHRSA-N -1 3 220.272 2.080 20 0 BEADHM Cc1cccc(C(=O)N[C@H](C)C(C)(F)F)c1[O-] ZINC000389519662 356902802 /nfs/dbraw/zinc/90/28/02/356902802.db2.gz ARDYLGHJBZMVBR-MRVPVSSYSA-N -1 3 243.253 2.474 20 0 BEADHM COc1ccc(NC(=O)C[C@@H]2C[C@@H]2C)c([O-])c1 ZINC000356008282 538806634 /nfs/dbraw/zinc/80/66/34/538806634.db2.gz LHODVEMPJJSXPJ-IUCAKERBSA-N -1 3 235.283 2.385 20 0 BEADHM CC[C@@H](NCc1cccc([O-])c1Cl)[C@@H](C)O ZINC000386736844 357313523 /nfs/dbraw/zinc/31/35/23/357313523.db2.gz CLFQOHXOBRIHKI-PSASIEDQSA-N -1 3 243.734 2.295 20 0 BEADHM Cc1ccc(C(=O)N2CCC[C@H](F)C2)c([O-])c1 ZINC000582911359 357434643 /nfs/dbraw/zinc/43/46/43/357434643.db2.gz CYAJMCWHDLVYQP-JTQLQIEISA-N -1 3 237.274 2.275 20 0 BEADHM Cc1ccc(O)c(C(=O)Nc2ncccc2[O-])c1 ZINC000191594606 357786701 /nfs/dbraw/zinc/78/67/01/357786701.db2.gz BZBFRLSHZVJPAS-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM Cc1ccc(NC(=O)[N-]c2cnns2)cc1 ZINC000034135784 357907399 /nfs/dbraw/zinc/90/73/99/357907399.db2.gz ULHNRIINZRNXJA-UHFFFAOYSA-N -1 3 234.284 2.491 20 0 BEADHM O=C([O-])c1cnccc1N[C@@H]1CCCSC1 ZINC000220784030 358052710 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/nfs/dbraw/zinc/59/31/94/358593194.db2.gz WKCJIDUALUWDRC-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM CCC(CC)Cc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351370778 366517649 /nfs/dbraw/zinc/51/76/49/366517649.db2.gz NIVHTLHPVNNMCJ-UHFFFAOYSA-N -1 3 248.286 2.211 20 0 BEADHM CC1=C(c2nc(-c3cc(=O)[n-]cn3)no2)CCC1 ZINC000351367510 366518100 /nfs/dbraw/zinc/51/81/00/366518100.db2.gz IRGGAFKDPJFENO-UHFFFAOYSA-N -1 3 244.254 2.190 20 0 BEADHM Cc1ccc([O-])c(C(=O)N(C)c2cccnc2)c1 ZINC000070231245 359044708 /nfs/dbraw/zinc/04/47/08/359044708.db2.gz QINHMPCQVWRCQL-UHFFFAOYSA-N -1 3 242.278 2.372 20 0 BEADHM CC1(C)CC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000287112053 359456695 /nfs/dbraw/zinc/45/66/95/359456695.db2.gz LWXOQIYGENBWBC-NSHDSACASA-N -1 3 235.283 2.016 20 0 BEADHM CCCCCS(=O)(=O)[N-][C@@H](C)C(C)(F)F ZINC000451073296 202348454 /nfs/dbraw/zinc/34/84/54/202348454.db2.gz QUYWQXRHWHHZRE-QMMMGPOBSA-N -1 3 243.319 2.140 20 0 BEADHM O=C(NC[C@H]1CCCS1)c1ccccc1[O-] ZINC000087503390 359916897 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C[C@@H]1C[C@@H](C)N1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000574416627 365059243 /nfs/dbraw/zinc/05/92/43/365059243.db2.gz OBMRFKDIWHKILF-RKDXNWHRSA-N -1 3 233.315 2.042 20 0 BEADHM O=C(c1ccccc1[O-])N1CC(CC2CC2)C1 ZINC000622253271 370805576 /nfs/dbraw/zinc/80/55/76/370805576.db2.gz ZHJGQVWCQXCMBJ-UHFFFAOYSA-N -1 3 231.295 2.264 20 0 BEADHM O=C(NC1CCCCC1)c1cccc2nn[n-]c21 ZINC000182669153 366929477 /nfs/dbraw/zinc/92/94/77/366929477.db2.gz CSFBGYKPBURBDK-UHFFFAOYSA-N -1 3 244.298 2.020 20 0 BEADHM O=C(NC1CCCCC1)c1cccc2[n-]nnc21 ZINC000182669153 366929482 /nfs/dbraw/zinc/92/94/82/366929482.db2.gz CSFBGYKPBURBDK-UHFFFAOYSA-N -1 3 244.298 2.020 20 0 BEADHM O=C(NC1CCCCC1)c1cccc2n[n-]nc21 ZINC000182669153 366929488 /nfs/dbraw/zinc/92/94/88/366929488.db2.gz CSFBGYKPBURBDK-UHFFFAOYSA-N -1 3 244.298 2.020 20 0 BEADHM C[C@@H]1CC(NC(=O)c2cccc([O-])c2)C[C@@H](C)O1 ZINC000182968867 366963686 /nfs/dbraw/zinc/96/36/86/366963686.db2.gz FBLNGNUCURJVBB-NXEZZACHSA-N -1 3 249.310 2.078 20 0 BEADHM 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/nfs/dbraw/zinc/09/71/42/384097142.db2.gz ILAMLCWCYPXANI-UHFFFAOYSA-N -1 3 237.299 2.140 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)c1cncs1 ZINC000227995008 134396372 /nfs/dbraw/zinc/39/63/72/134396372.db2.gz PMNAKJHBMUKXGM-UHFFFAOYSA-N -1 3 238.243 2.240 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCC(C)(F)F)c1 ZINC000647260616 384193010 /nfs/dbraw/zinc/19/30/10/384193010.db2.gz CATHHAQSTURZCT-UHFFFAOYSA-N -1 3 229.226 2.086 20 0 BEADHM CCC(CC)NC(=O)/C=C/c1cncc([O-])c1 ZINC000179385061 384286588 /nfs/dbraw/zinc/28/65/88/384286588.db2.gz IFYLOPKCCSOWBE-AATRIKPKSA-N -1 3 234.299 2.105 20 0 BEADHM CCCN(CC(=O)[O-])Cc1ccc(C)s1 ZINC000083411575 384300584 /nfs/dbraw/zinc/30/05/84/384300584.db2.gz HDIFWSYWIXCEFH-UHFFFAOYSA-N -1 3 227.329 2.353 20 0 BEADHM C[C@@H](C(=O)[N-]C1=NCCS1)c1ccccc1 ZINC000120205539 384336713 /nfs/dbraw/zinc/33/67/13/384336713.db2.gz SWJIFIMLKBZSOW-SECBINFHSA-N -1 3 234.324 2.009 20 0 BEADHM C[C@H](C(=O)[N-]C1=NCCS1)c1ccccc1 ZINC000120205374 384337109 /nfs/dbraw/zinc/33/71/09/384337109.db2.gz SWJIFIMLKBZSOW-VIFPVBQESA-N -1 3 234.324 2.009 20 0 BEADHM Cc1ccc(/C=C/C(=O)[N-]OCC(C)C)o1 ZINC000135329216 384433943 /nfs/dbraw/zinc/43/39/43/384433943.db2.gz GWICIDITVSXMSC-VOTSOKGWSA-N -1 3 223.272 2.305 20 0 BEADHM CC(C)CO[N-]C(=O)c1c(F)cc(F)cc1F ZINC000135340158 384437256 /nfs/dbraw/zinc/43/72/56/384437256.db2.gz RZJHGGJRHWSMLW-UHFFFAOYSA-N -1 3 247.216 2.421 20 0 BEADHM Cc1ccc(NC(=O)CC[C@@H]2CCOC2)c([O-])c1 ZINC000175856303 384498868 /nfs/dbraw/zinc/49/88/68/384498868.db2.gz BHTPCXTTZAFDOL-LLVKDONJSA-N -1 3 249.310 2.456 20 0 BEADHM Cc1ccc(C(=O)NC(C)C)c([O-])c1C ZINC000048369283 384486643 /nfs/dbraw/zinc/48/66/43/384486643.db2.gz ODQQJIPJCYECHS-UHFFFAOYSA-N -1 3 207.273 2.147 20 0 BEADHM O=C(Nc1cccc([O-])c1F)[C@H]1CC12CC2 ZINC000335017362 384491601 /nfs/dbraw/zinc/49/16/01/384491601.db2.gz JJYLQBHFOVIZOT-SSDOTTSWSA-N -1 3 221.231 2.270 20 0 BEADHM Cc1ccc(C(=O)Nc2ccccn2)c([O-])c1 ZINC000019837369 384546299 /nfs/dbraw/zinc/54/62/99/384546299.db2.gz YQFPRERVEAVCMA-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM Cc1csc(NC([O-])=NOCC(C)C)n1 ZINC000123373472 384554758 /nfs/dbraw/zinc/55/47/58/384554758.db2.gz NFWDEXPVKYAASF-UHFFFAOYSA-N -1 3 229.305 2.161 20 0 BEADHM Cc1csc(NC(=O)[N-]OCC(C)C)n1 ZINC000123373472 384554761 /nfs/dbraw/zinc/55/47/61/384554761.db2.gz NFWDEXPVKYAASF-UHFFFAOYSA-N -1 3 229.305 2.161 20 0 BEADHM O=[S@@](C[C@@H]1CCCCO1)c1cccc([O-])c1 ZINC000184067037 384559625 /nfs/dbraw/zinc/55/96/25/384559625.db2.gz LAQPERMIBFQRRH-ZBEGNZNMSA-N -1 3 240.324 2.069 20 0 BEADHM Cc1cccc(C(=O)NCC(C)(C)C)c1[O-] ZINC000040494918 384578818 /nfs/dbraw/zinc/57/88/18/384578818.db2.gz APKUHXFOLLTXDY-UHFFFAOYSA-N -1 3 221.300 2.477 20 0 BEADHM CCO[N-]C(=O)Nc1cc(C)cc(F)c1 ZINC000184098336 384565713 /nfs/dbraw/zinc/56/57/13/384565713.db2.gz VUGXIBAWCLDWOQ-UHFFFAOYSA-N -1 3 212.224 2.207 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CC12CC2 ZINC000335174352 384613352 /nfs/dbraw/zinc/61/33/52/384613352.db2.gz QGNNOFFKAPRQJW-QMMMGPOBSA-N -1 3 221.231 2.270 20 0 BEADHM CN(Cc1ccccn1)C(=O)c1cccc([O-])c1 ZINC000036778417 384618959 /nfs/dbraw/zinc/61/89/59/384618959.db2.gz OITZRQWJWQGQRB-UHFFFAOYSA-N -1 3 242.278 2.059 20 0 BEADHM C[C@H]1C[C@H](NC(=O)c2cccc([O-])c2)CS1 ZINC000335261222 384663424 /nfs/dbraw/zinc/66/34/24/384663424.db2.gz QHJONPKADFHSFI-WPRPVWTQSA-N -1 3 237.324 2.016 20 0 BEADHM CCN(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184997078 384669535 /nfs/dbraw/zinc/66/95/35/384669535.db2.gz SASFXFISOYXBFX-UHFFFAOYSA-N -1 3 233.311 2.363 20 0 BEADHM CC(C)c1ccc(NC(=O)c2nc[n-]n2)cc1 ZINC000082323688 384670285 /nfs/dbraw/zinc/67/02/85/384670285.db2.gz WHGGAJPEJCHNRQ-UHFFFAOYSA-N -1 3 230.271 2.180 20 0 BEADHM CC(=O)CCCC(=O)Nc1ccccc1[O-] ZINC000184684092 384636712 /nfs/dbraw/zinc/63/67/12/384636712.db2.gz GRCACFOHAYQTCA-UHFFFAOYSA-N -1 3 221.256 2.090 20 0 BEADHM CCC[C@@H](NCc1ccc(F)cc1F)C(=O)[O-] ZINC000050885373 384648986 /nfs/dbraw/zinc/64/89/86/384648986.db2.gz STUPXMDADZQOIL-LLVKDONJSA-N -1 3 243.253 2.308 20 0 BEADHM Cc1ccc([O-])c(CNCc2ccsc2)n1 ZINC000082424835 384683459 /nfs/dbraw/zinc/68/34/59/384683459.db2.gz CVBYTEPGRYJEIX-UHFFFAOYSA-N -1 3 234.324 2.447 20 0 BEADHM CC[C@@H](C)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000255545150 384790611 /nfs/dbraw/zinc/79/06/11/384790611.db2.gz KOSXBODEQKIPLV-WWQCOOJYSA-N -1 3 234.299 2.057 20 0 BEADHM CC[C@@H](OC)C(=O)Nc1c([O-])cccc1Cl ZINC000557181859 384869917 /nfs/dbraw/zinc/86/99/17/384869917.db2.gz CAKJYTHPVTVVJI-SECBINFHSA-N -1 3 243.690 2.409 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)C)c(F)c1 ZINC000038255564 384852661 /nfs/dbraw/zinc/85/26/61/384852661.db2.gz MNIVNHPFRQXPJP-UHFFFAOYSA-N -1 3 245.319 2.211 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)c1cc[nH]n1 ZINC000557184516 384868700 /nfs/dbraw/zinc/86/87/00/384868700.db2.gz ZFYOULHSOHODEH-UHFFFAOYSA-N -1 3 237.646 2.021 20 0 BEADHM CC(C)(C)/C=C\C(=O)[N-]O[C@H]1CCCCO1 ZINC000491858559 384901951 /nfs/dbraw/zinc/90/19/51/384901951.db2.gz HOGXAQFZWXEXPS-TVRMLOFPSA-N -1 3 227.304 2.163 20 0 BEADHM Cc1cccc(CNC(C)(C)C(=O)[O-])c1F ZINC000084943553 384905754 /nfs/dbraw/zinc/90/57/54/384905754.db2.gz PQWMETUHKYCGLM-UHFFFAOYSA-N -1 3 225.263 2.087 20 0 BEADHM Cc1ccc([O-])c(CNCc2ncccc2C)n1 ZINC000106481092 384920075 /nfs/dbraw/zinc/92/00/75/384920075.db2.gz YEDHWWJTQHZJTK-UHFFFAOYSA-N -1 3 243.310 2.089 20 0 BEADHM Cc1ccc(C(=O)NCCC2CC2)c([O-])c1 ZINC000083895218 384921456 /nfs/dbraw/zinc/92/14/56/384921456.db2.gz PROKJXBMIOMSAO-UHFFFAOYSA-N -1 3 219.284 2.231 20 0 BEADHM C[C@@H](C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000175841087 384970843 /nfs/dbraw/zinc/97/08/43/384970843.db2.gz FBBVBRIYBKNDPO-MRVPVSSYSA-N -1 3 237.274 2.194 20 0 BEADHM C[C@H]1CC[C@H](C(=O)N=c2cc3ccccn3[n-]2)C1 ZINC000557539345 385011796 /nfs/dbraw/zinc/01/17/96/385011796.db2.gz WQCQILSAZQLREX-QWRGUYRKSA-N -1 3 243.310 2.131 20 0 BEADHM CC[C@H](NCc1cccc(C)c1F)C(=O)[O-] ZINC000647467407 385063151 /nfs/dbraw/zinc/06/31/51/385063151.db2.gz CDYBPUUUCWEJEJ-JTQLQIEISA-N -1 3 225.263 2.087 20 0 BEADHM CCc1ccc(C(=O)N[C@@H](C)CC(C)=O)c([O-])c1 ZINC000188512556 385064371 /nfs/dbraw/zinc/06/43/71/385064371.db2.gz QKBRGXPOBHDRBE-VIFPVBQESA-N -1 3 249.310 2.052 20 0 BEADHM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000188554100 385066105 /nfs/dbraw/zinc/06/61/05/385066105.db2.gz IQPOMVPTMCUPBB-SNVBAGLBSA-N -1 3 245.344 2.383 20 0 BEADHM CC(C)(C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000151814695 385133789 /nfs/dbraw/zinc/13/37/89/385133789.db2.gz XCELMJZUGMUTQR-UHFFFAOYSA-N -1 3 240.278 2.129 20 0 BEADHM C[C@@]1(C(=O)Nc2ccccc2[O-])C[C@H]2CC[C@@H]1O2 ZINC000189220076 385136872 /nfs/dbraw/zinc/13/68/72/385136872.db2.gz MQQXLAPGAMPVOZ-LJWDBELGSA-N -1 3 247.294 2.288 20 0 BEADHM CCCC1(C[N-]S(=O)(=O)c2ccco2)CC1 ZINC000188761972 385087271 /nfs/dbraw/zinc/08/72/71/385087271.db2.gz AQEWTQMWRAEAKB-UHFFFAOYSA-N -1 3 243.328 2.138 20 0 BEADHM O=C([O-])C1(NCc2cc(F)ccc2F)CCC1 ZINC000165252533 385093008 /nfs/dbraw/zinc/09/30/08/385093008.db2.gz SOSWDGOAGUAAMF-UHFFFAOYSA-N -1 3 241.237 2.062 20 0 BEADHM CCN(CC(C)C)C(=O)/C=C\c1cncc([O-])c1 ZINC000255871674 385102069 /nfs/dbraw/zinc/10/20/69/385102069.db2.gz CZSZUISLZPPDID-WAYWQWQTSA-N -1 3 248.326 2.305 20 0 BEADHM CCC1(C)CN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000291025547 385149777 /nfs/dbraw/zinc/14/97/77/385149777.db2.gz FYLQRCHPNQYTGN-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM CCC[C@H](C)c1cc([N-]S(=O)(=O)CC)n[nH]1 ZINC000152845896 385216640 /nfs/dbraw/zinc/21/66/40/385216640.db2.gz TZVBZUNVKTYNQM-QMMMGPOBSA-N -1 3 245.348 2.075 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000569093836 385225207 /nfs/dbraw/zinc/22/52/07/385225207.db2.gz AHFILVHSVNPKPH-AXFHLTTASA-N -1 3 246.310 2.470 20 0 BEADHM CCO[C@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153418761 385254360 /nfs/dbraw/zinc/25/43/60/385254360.db2.gz NRRIKQHBSOUVKH-SSDOTTSWSA-N -1 3 243.690 2.409 20 0 BEADHM CC(C)CO[N-]C(=O)c1cc(F)c(F)cc1F ZINC000153449169 385255026 /nfs/dbraw/zinc/25/50/26/385255026.db2.gz PFWIWWAEDLAPKZ-UHFFFAOYSA-N -1 3 247.216 2.421 20 0 BEADHM COC[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000307766481 385260102 /nfs/dbraw/zinc/26/01/02/385260102.db2.gz DRDIOXBRJZWHCE-NSHDSACASA-N -1 3 249.310 2.033 20 0 BEADHM COC[C@@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000307777756 385264129 /nfs/dbraw/zinc/26/41/29/385264129.db2.gz OMCFLECJVXJXGI-LBPRGKRZSA-N -1 3 249.310 2.033 20 0 BEADHM C[C@H](C(=O)[O-])N(C)Cc1cc(F)cc(Cl)c1 ZINC000168343701 385359680 /nfs/dbraw/zinc/35/96/80/385359680.db2.gz HQCWALDYTVAXSE-SSDOTTSWSA-N -1 3 245.681 2.384 20 0 BEADHM CC[C@@H](CC(=O)[N-]OC)c1ccc(OC)cc1 ZINC000155415578 385390385 /nfs/dbraw/zinc/39/03/85/385390385.db2.gz IXTJMXXRUAWLES-JTQLQIEISA-N -1 3 237.299 2.257 20 0 BEADHM CC/C(=C\C(=O)[N-]OC)c1ccc(OC)cc1 ZINC000178471386 385377906 /nfs/dbraw/zinc/37/79/06/385377906.db2.gz LCRIUOSUKRIJET-MDZDMXLPSA-N -1 3 235.283 2.166 20 0 BEADHM CC(C)[C@@H](C)CNC(=O)c1c([O-])cccc1O ZINC000180855969 385397845 /nfs/dbraw/zinc/39/78/45/385397845.db2.gz CRHJGEDVUINKBX-VIFPVBQESA-N -1 3 237.299 2.120 20 0 BEADHM CCc1ccc([C@@H](C)CC(=O)[N-]OC)cc1 ZINC000155612818 385399792 /nfs/dbraw/zinc/39/97/92/385399792.db2.gz QTMSJMNRZVFBSC-JTQLQIEISA-N -1 3 221.300 2.420 20 0 BEADHM CCC[C@H](C)Sc1ncc(C(=O)OC)[n-]1 ZINC000193535523 385401571 /nfs/dbraw/zinc/40/15/71/385401571.db2.gz UAOAQFDOUWLKCU-ZETCQYMHSA-N -1 3 228.317 2.477 20 0 BEADHM C[C@@H]1CCN(C(=O)c2cccc([O-])c2)[C@H]1C ZINC000182557759 385457820 /nfs/dbraw/zinc/45/78/20/385457820.db2.gz SKVOGBNDXUVFMD-ZJUUUORDSA-N -1 3 219.284 2.263 20 0 BEADHM Cc1csc2[n-]c([C@H]3CCCO3)nc(=O)c12 ZINC000178984720 385431875 /nfs/dbraw/zinc/43/18/75/385431875.db2.gz WUPPEKOBFWUWBZ-SSDOTTSWSA-N -1 3 236.296 2.145 20 0 BEADHM CC(C)C[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000157470926 385504109 /nfs/dbraw/zinc/50/41/09/385504109.db2.gz RZAVEJXHAIAOTA-SECBINFHSA-N -1 3 237.299 2.262 20 0 BEADHM CC(C)[C@H](C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000171973987 385537258 /nfs/dbraw/zinc/53/72/58/385537258.db2.gz AZQSFGJRGMGBBV-QMMMGPOBSA-N -1 3 248.286 2.295 20 0 BEADHM CC(C)[C@H](C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000171973987 385537262 /nfs/dbraw/zinc/53/72/62/385537262.db2.gz AZQSFGJRGMGBBV-QMMMGPOBSA-N -1 3 248.286 2.295 20 0 BEADHM CC(C)[C@H](C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000171973987 385537267 /nfs/dbraw/zinc/53/72/67/385537267.db2.gz AZQSFGJRGMGBBV-QMMMGPOBSA-N -1 3 248.286 2.295 20 0 BEADHM CCO[N-]C(=O)Nc1cccc(C)c1C ZINC000158083615 385547684 /nfs/dbraw/zinc/54/76/84/385547684.db2.gz KOMPTAQVOGFDAX-UHFFFAOYSA-N -1 3 208.261 2.376 20 0 BEADHM Cc1noc(C)c1[N-]C(=O)c1cscn1 ZINC000334224787 385521723 /nfs/dbraw/zinc/52/17/23/385521723.db2.gz HLDFGGVAPRZPJO-UHFFFAOYSA-N -1 3 223.257 2.000 20 0 BEADHM CCc1cc(=O)[n-]c(CN(C(C)C)C(C)C)n1 ZINC000180452156 385523172 /nfs/dbraw/zinc/52/31/72/385523172.db2.gz YMTFXCNZWVECAW-UHFFFAOYSA-N -1 3 237.347 2.363 20 0 BEADHM C[C@H](C(=O)[O-])N(C)Cc1ccc(Cl)cc1F ZINC000161264882 385633549 /nfs/dbraw/zinc/63/35/49/385633549.db2.gz OJMUKWAKDIAIGH-SSDOTTSWSA-N -1 3 245.681 2.384 20 0 BEADHM CCCc1occc1C(=O)[N-]c1nncs1 ZINC000281092338 385635791 /nfs/dbraw/zinc/63/57/91/385635791.db2.gz XLSFDRMJMURVPL-UHFFFAOYSA-N -1 3 237.284 2.336 20 0 BEADHM CC[C@H]1CCCC[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000337405590 385650572 /nfs/dbraw/zinc/65/05/72/385650572.db2.gz SHNSCDGNTOLXCK-ONGXEEELSA-N -1 3 245.330 2.107 20 0 BEADHM CC[C@@H](NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000309523216 385655039 /nfs/dbraw/zinc/65/50/39/385655039.db2.gz CCMMOWNIXQXTAB-SNVBAGLBSA-N -1 3 245.681 2.432 20 0 BEADHM CCC[C@@](C)(O)C(=O)Nc1ccc(C)cc1[O-] ZINC000270224017 385687364 /nfs/dbraw/zinc/68/73/64/385687364.db2.gz MUANJEYCDXTHJS-CYBMUJFWSA-N -1 3 237.299 2.190 20 0 BEADHM CCC[C@@](C)(O)C(=O)Nc1cc(F)ccc1[O-] ZINC000270368979 385700906 /nfs/dbraw/zinc/70/09/06/385700906.db2.gz LHRITDCNRKVBNH-GFCCVEGCSA-N -1 3 241.262 2.021 20 0 BEADHM O=C(NC1CC1)c1ccc2c(c1[O-])CCCC2 ZINC000184787095 385712103 /nfs/dbraw/zinc/71/21/03/385712103.db2.gz GFAJBHRYDDQCIV-UHFFFAOYSA-N -1 3 231.295 2.163 20 0 BEADHM C[C@H](CC(=O)[O-])NCc1c(F)cccc1Cl ZINC000309525449 385667996 /nfs/dbraw/zinc/66/79/96/385667996.db2.gz AXSCSNXWDZIXMN-SSDOTTSWSA-N -1 3 245.681 2.432 20 0 BEADHM CCSCCCNC(=O)c1cccc([O-])c1 ZINC000282342183 385754468 /nfs/dbraw/zinc/75/44/68/385754468.db2.gz WKHJNWNZLVQIRN-UHFFFAOYSA-N -1 3 239.340 2.265 20 0 BEADHM O=C([O-])[C@H]1CCN(Cc2ccc(Cl)s2)C1 ZINC000062134410 385761911 /nfs/dbraw/zinc/76/19/11/385761911.db2.gz CZNOPDGCSGIBSR-ZETCQYMHSA-N -1 3 245.731 2.308 20 0 BEADHM CCO[N-]C(=O)Nc1cccc(OC(F)F)c1 ZINC000182921012 385719775 /nfs/dbraw/zinc/71/97/75/385719775.db2.gz YOAJBIUYLHHUKC-UHFFFAOYSA-N -1 3 246.213 2.361 20 0 BEADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])[C@@H](C)[C@H](C)O1 ZINC000436887017 385720130 /nfs/dbraw/zinc/72/01/30/385720130.db2.gz IKIFRTPYMFTHRI-VWYCJHECSA-N -1 3 249.310 2.030 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(F)c(C)c1 ZINC000182977593 385726972 /nfs/dbraw/zinc/72/69/72/385726972.db2.gz KKVZWAFDBBWIBA-UHFFFAOYSA-N -1 3 212.224 2.207 20 0 BEADHM CCCCOCC(=O)Nc1c(C)cccc1[O-] ZINC000271351589 385821673 /nfs/dbraw/zinc/82/16/73/385821673.db2.gz ONOKBHOLBOIJGF-UHFFFAOYSA-N -1 3 237.299 2.456 20 0 BEADHM C/C=C/COc1cccc(CC(=O)[N-]OCC)c1 ZINC000294429406 385850269 /nfs/dbraw/zinc/85/02/69/385850269.db2.gz MDFDRIBPJWCMHU-HWKANZROSA-N -1 3 249.310 2.252 20 0 BEADHM CCN(Cc1occc1C(=O)[O-])CC1CC1 ZINC000069238542 385852487 /nfs/dbraw/zinc/85/24/87/385852487.db2.gz FPCFGTXGJHKNJM-UHFFFAOYSA-N -1 3 223.272 2.210 20 0 BEADHM Cc1ccc(CC(=O)[N-]OCCCCF)cc1 ZINC000285132412 385901162 /nfs/dbraw/zinc/90/11/62/385901162.db2.gz KZFSVHAHUPUMJZ-UHFFFAOYSA-N -1 3 239.290 2.335 20 0 BEADHM COc1cc(C(=O)N[C@H]2CC=CCC2)ccc1[O-] ZINC000272574509 385914778 /nfs/dbraw/zinc/91/47/78/385914778.db2.gz DAPVKZQUFQBPSM-NSHDSACASA-N -1 3 247.294 2.239 20 0 BEADHM CCC[C@H](OC)C(=O)Nc1ccc(C)cc1[O-] ZINC000294537596 385865389 /nfs/dbraw/zinc/86/53/89/385865389.db2.gz ZXAHZTLFZWOQBT-LBPRGKRZSA-N -1 3 237.299 2.454 20 0 BEADHM CC(C)CCC(=O)[N-]OC/C=C/Cl ZINC000291746375 385945966 /nfs/dbraw/zinc/94/59/66/385945966.db2.gz GQLJYPGQZIFCLU-ZZXKWVIFSA-N -1 3 205.685 2.223 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@]2(C)CC2(F)F)n1 ZINC000335058358 385958547 /nfs/dbraw/zinc/95/85/47/385958547.db2.gz NSKMCRJFFFWVNB-SNVBAGLBSA-N -1 3 242.225 2.079 20 0 BEADHM O=C(CCCC1CC1)N=c1cc2ccccn2[n-]1 ZINC000643271030 386021226 /nfs/dbraw/zinc/02/12/26/386021226.db2.gz WBOVDSIVNFMFBN-UHFFFAOYSA-N -1 3 243.310 2.275 20 0 BEADHM C/C=C/c1ccc(NC(=O)c2cnn[n-]2)cc1 ZINC000335983007 386101556 /nfs/dbraw/zinc/10/15/56/386101556.db2.gz IXWHLRULCMFETC-NSCUHMNNSA-N -1 3 228.255 2.090 20 0 BEADHM CC=Cc1ccc(NC(=O)c2c[n-]nn2)cc1 ZINC000335983007 386101563 /nfs/dbraw/zinc/10/15/63/386101563.db2.gz IXWHLRULCMFETC-NSCUHMNNSA-N -1 3 228.255 2.090 20 0 BEADHM CC=Cc1ccc(NC(=O)c2cn[n-]n2)cc1 ZINC000335983007 386101565 /nfs/dbraw/zinc/10/15/65/386101565.db2.gz IXWHLRULCMFETC-NSCUHMNNSA-N -1 3 228.255 2.090 20 0 BEADHM CCC[C@H](C)CC(=O)Nc1nnc(SC)[n-]1 ZINC000263868023 386186356 /nfs/dbraw/zinc/18/63/56/386186356.db2.gz KTIZTENZSPJXIX-ZETCQYMHSA-N -1 3 242.348 2.291 20 0 BEADHM CCC[C@H](C)CC(=O)Nc1nc(SC)n[n-]1 ZINC000263868023 386186357 /nfs/dbraw/zinc/18/63/57/386186357.db2.gz KTIZTENZSPJXIX-ZETCQYMHSA-N -1 3 242.348 2.291 20 0 BEADHM CCC[C@H](C)CC(=O)Nc1n[n-]c(SC)n1 ZINC000263868023 386186373 /nfs/dbraw/zinc/18/63/73/386186373.db2.gz KTIZTENZSPJXIX-ZETCQYMHSA-N -1 3 242.348 2.291 20 0 BEADHM CCCCCCC(=O)Nc1nnc(SC)[n-]1 ZINC000263890038 386189386 /nfs/dbraw/zinc/18/93/86/386189386.db2.gz ZFJJVCWYMUUBCN-UHFFFAOYSA-N -1 3 242.348 2.436 20 0 BEADHM CCCCCCC(=O)Nc1nc(SC)n[n-]1 ZINC000263890038 386189389 /nfs/dbraw/zinc/18/93/89/386189389.db2.gz ZFJJVCWYMUUBCN-UHFFFAOYSA-N -1 3 242.348 2.436 20 0 BEADHM CCCCCCC(=O)Nc1n[n-]c(SC)n1 ZINC000263890038 386189392 /nfs/dbraw/zinc/18/93/92/386189392.db2.gz ZFJJVCWYMUUBCN-UHFFFAOYSA-N -1 3 242.348 2.436 20 0 BEADHM CC1(C)CCC[C@@H]1C(=O)[N-]OCc1cccnc1 ZINC000274694196 386139340 /nfs/dbraw/zinc/13/93/40/386139340.db2.gz KWANIQDGZASISW-GFCCVEGCSA-N -1 3 248.326 2.456 20 0 BEADHM CCO[C@@H]1C[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000264659244 386259663 /nfs/dbraw/zinc/25/96/63/386259663.db2.gz UMAFNAQVEXDOOA-WDEREUQCSA-N -1 3 246.266 2.335 20 0 BEADHM CCO[C@H]1C[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000264659243 386260120 /nfs/dbraw/zinc/26/01/20/386260120.db2.gz UMAFNAQVEXDOOA-QWRGUYRKSA-N -1 3 246.266 2.335 20 0 BEADHM CCO[N-]C(=O)Nc1cncc(Cl)c1C ZINC000297202308 386232737 /nfs/dbraw/zinc/23/27/37/386232737.db2.gz VDHGZUQMEWBFER-UHFFFAOYSA-N -1 3 229.667 2.116 20 0 BEADHM CCc1ccc(C(=O)NC[C@@H]2CC23CC3)c([O-])c1 ZINC000416255363 386245265 /nfs/dbraw/zinc/24/52/65/386245265.db2.gz IGEKVFMRSNMXKO-NSHDSACASA-N -1 3 245.322 2.485 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC[C@@H]2CC23CC3)c1 ZINC000416076097 386193770 /nfs/dbraw/zinc/19/37/70/386193770.db2.gz RAXPLFPFGDNAJG-JTQLQIEISA-N -1 3 231.295 2.231 20 0 BEADHM Cc1cc(C(=O)N(C)C2CCC2)ccc1[O-] ZINC000226718041 386369083 /nfs/dbraw/zinc/36/90/83/386369083.db2.gz FNTPKHOAKAMRAP-UHFFFAOYSA-N -1 3 219.284 2.325 20 0 BEADHM COc1cc(C(=O)NCC=C(C)C)ccc1[O-] ZINC000276733309 386369753 /nfs/dbraw/zinc/36/97/53/386369753.db2.gz WBFWKZAMIASDHH-UHFFFAOYSA-N -1 3 235.283 2.097 20 0 BEADHM COC1(CC(=O)Nc2ccccc2[O-])CCC1 ZINC000276846458 386384859 /nfs/dbraw/zinc/38/48/59/386384859.db2.gz IRYVXERZYVFDEM-UHFFFAOYSA-N -1 3 235.283 2.290 20 0 BEADHM CCO[N-]C(=O)Cc1cccc(Cl)c1F ZINC000289571627 386330221 /nfs/dbraw/zinc/33/02/21/386330221.db2.gz QKTHQBBLUPGYCX-UHFFFAOYSA-N -1 3 231.654 2.089 20 0 BEADHM CCc1cc(=O)[n-]c(CN2C[C@H](C)C[C@H]2CC)n1 ZINC000336718342 386439438 /nfs/dbraw/zinc/43/94/38/386439438.db2.gz VBUBGOPVBTXFJA-ZYHUDNBSSA-N -1 3 249.358 2.365 20 0 BEADHM CCc1cc(=O)[n-]c(CN2C[C@@H](C)C[C@@H]2CC)n1 ZINC000336718337 386441783 /nfs/dbraw/zinc/44/17/83/386441783.db2.gz VBUBGOPVBTXFJA-JQWIXIFHSA-N -1 3 249.358 2.365 20 0 BEADHM Cc1cc(C(=O)N(C)CC(C)C)ccc1[O-] ZINC000227017654 386447633 /nfs/dbraw/zinc/44/76/33/386447633.db2.gz SSDISOCZJQJUDR-UHFFFAOYSA-N -1 3 221.300 2.429 20 0 BEADHM CCc1ccc(CNC[C@H](C(=O)[O-])C(C)C)o1 ZINC000277227154 386418134 /nfs/dbraw/zinc/41/81/34/386418134.db2.gz IHBPPHISONDONN-LBPRGKRZSA-N -1 3 239.315 2.288 20 0 BEADHM CN(CC1CCC1)C(=O)c1ccccc1[O-] ZINC000061482021 386468877 /nfs/dbraw/zinc/46/88/77/386468877.db2.gz URLZTQQTWBBKOO-UHFFFAOYSA-N -1 3 219.284 2.264 20 0 BEADHM CCc1ccc(CNC[C@@](C)(CC)C(=O)[O-])o1 ZINC000277935001 386479136 /nfs/dbraw/zinc/47/91/36/386479136.db2.gz ICLMEVCCSBUVAU-CYBMUJFWSA-N -1 3 239.315 2.433 20 0 BEADHM COC1(c2nc(-c3ccc([O-])cc3)no2)CC1 ZINC000351396037 386491254 /nfs/dbraw/zinc/49/12/54/386491254.db2.gz YZXVHMHZLDAPEW-UHFFFAOYSA-N -1 3 232.239 2.078 20 0 BEADHM CO[C@@](C)(C(=O)Nc1ccc(C)cc1[O-])C1CC1 ZINC000291019852 386499226 /nfs/dbraw/zinc/49/92/26/386499226.db2.gz VYGPICGQTYEAEO-CQSZACIVSA-N -1 3 249.310 2.454 20 0 BEADHM CCc1cccc(C(=O)NCCCCF)c1[O-] ZINC000519605109 386503826 /nfs/dbraw/zinc/50/38/26/386503826.db2.gz PMVJOQJLLKEQIK-UHFFFAOYSA-N -1 3 239.290 2.434 20 0 BEADHM CCC[C@@H](C)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000525865278 386510686 /nfs/dbraw/zinc/51/06/86/386510686.db2.gz XIMBEQHPGYCFQR-SECBINFHSA-N -1 3 246.314 2.219 20 0 BEADHM CCC[C@@H](C)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000525865278 386510691 /nfs/dbraw/zinc/51/06/91/386510691.db2.gz XIMBEQHPGYCFQR-SECBINFHSA-N -1 3 246.314 2.219 20 0 BEADHM CCC[C@@H](C)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000525865278 386510695 /nfs/dbraw/zinc/51/06/95/386510695.db2.gz XIMBEQHPGYCFQR-SECBINFHSA-N -1 3 246.314 2.219 20 0 BEADHM CCC1(C(=O)Nc2nnc(-c3ccco3)[n-]2)CC1 ZINC000299449989 386455653 /nfs/dbraw/zinc/45/56/53/386455653.db2.gz ZAVIXJDMVYVTAC-UHFFFAOYSA-N -1 3 246.270 2.193 20 0 BEADHM CCC1(C(=O)Nc2nc(-c3ccco3)n[n-]2)CC1 ZINC000299449989 386455663 /nfs/dbraw/zinc/45/56/63/386455663.db2.gz ZAVIXJDMVYVTAC-UHFFFAOYSA-N -1 3 246.270 2.193 20 0 BEADHM CCC1(C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000299449989 386455668 /nfs/dbraw/zinc/45/56/68/386455668.db2.gz ZAVIXJDMVYVTAC-UHFFFAOYSA-N -1 3 246.270 2.193 20 0 BEADHM CCN(CCC(=O)[O-])Cc1cc(F)cc(F)c1 ZINC000097903973 386575485 /nfs/dbraw/zinc/57/54/85/386575485.db2.gz JDFRQRFFTHGUES-UHFFFAOYSA-N -1 3 243.253 2.261 20 0 BEADHM CC(C)[C@@]1(C)C[C@H]1C(=O)[N-]OC/C=C/Cl ZINC000291434965 386545475 /nfs/dbraw/zinc/54/54/75/386545475.db2.gz ARLSTCCZDSZQOT-ALWPCLGOSA-N -1 3 231.723 2.469 20 0 BEADHM CCc1cc(C(=O)NC(C)C)ccc1[O-] ZINC000291446233 386546090 /nfs/dbraw/zinc/54/60/90/386546090.db2.gz LHRMGJDEWRSPNC-UHFFFAOYSA-N -1 3 207.273 2.093 20 0 BEADHM CCc1cc(C(=O)NC(C)(C)C)ccc1[O-] ZINC000291465372 386548267 /nfs/dbraw/zinc/54/82/67/386548267.db2.gz LBORCZYQINGQMO-UHFFFAOYSA-N -1 3 221.300 2.483 20 0 BEADHM CCc1cc(C(=O)NCC(C)C)ccc1[O-] ZINC000291477963 386551349 /nfs/dbraw/zinc/55/13/49/386551349.db2.gz QISXKPLBKKZARJ-UHFFFAOYSA-N -1 3 221.300 2.340 20 0 BEADHM [O-]c1cc(F)cc(CN2CC[C@H](F)C2)c1 ZINC000335405546 386563426 /nfs/dbraw/zinc/56/34/26/386563426.db2.gz CTZBBXCDTFNTDH-VIFPVBQESA-N -1 3 213.227 2.075 20 0 BEADHM [O-]c1ccc(F)c(CN2CC[C@H](F)C2)c1F ZINC000335405541 386564356 /nfs/dbraw/zinc/56/43/56/386564356.db2.gz CILNUNBJTXHOTD-ZETCQYMHSA-N -1 3 231.217 2.214 20 0 BEADHM CC(=O)[N-]OC[C@H](OC(C)C)c1ccccc1 ZINC000292123811 386624519 /nfs/dbraw/zinc/62/45/19/386624519.db2.gz RRNZXLNZRKBKGA-ZDUSSCGKSA-N -1 3 237.299 2.220 20 0 BEADHM CCCC(C)(C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000065174548 386627613 /nfs/dbraw/zinc/62/76/13/386627613.db2.gz ZJGRJJDSBDNQBQ-UHFFFAOYSA-N -1 3 246.314 2.266 20 0 BEADHM O=C(N[C@H]1CCC[C@H](F)C1)c1cccc([O-])c1 ZINC000335509712 386643037 /nfs/dbraw/zinc/64/30/37/386643037.db2.gz KCJMQUQRSJOAME-QWRGUYRKSA-N -1 3 237.274 2.403 20 0 BEADHM COc1cc(C(=O)N[C@H]2CCC[C@H]2C)ccc1[O-] ZINC000268065483 386615795 /nfs/dbraw/zinc/61/57/95/386615795.db2.gz HADRYAZRKAJWDC-KOLCDFICSA-N -1 3 249.310 2.319 20 0 BEADHM COC(=O)c1cnc(S[C@@H]2CC[C@@H](C)C2)[n-]1 ZINC000292606486 386696800 /nfs/dbraw/zinc/69/68/00/386696800.db2.gz IIRVGHQOPHDEDX-HTQZYQBOSA-N -1 3 240.328 2.477 20 0 BEADHM COC(=O)c1cnc(S[C@H]2CC[C@@H](C)C2)[n-]1 ZINC000292606488 386697550 /nfs/dbraw/zinc/69/75/50/386697550.db2.gz IIRVGHQOPHDEDX-SFYZADRCSA-N -1 3 240.328 2.477 20 0 BEADHM CCc1[nH]ccc1C(=O)Nc1nc(C)ccc1[O-] ZINC000334156432 386754220 /nfs/dbraw/zinc/75/42/20/386754220.db2.gz YKUOTTOSXOOCGU-UHFFFAOYSA-N -1 3 245.282 2.238 20 0 BEADHM COc1cc(C(=O)[N-]c2cscc2C)on1 ZINC000334155916 386755326 /nfs/dbraw/zinc/75/53/26/386755326.db2.gz WVMUXXTXJIKOEK-UHFFFAOYSA-N -1 3 238.268 2.305 20 0 BEADHM Cc1ccc2oc([N-][C@@H](C(N)=O)C(C)C)nc2c1 ZINC000269202179 386759181 /nfs/dbraw/zinc/75/91/81/386759181.db2.gz YWYBLVLDCDVPIW-LLVKDONJSA-N -1 3 247.298 2.058 20 0 BEADHM CCCN(CCC)C(=O)c1csc(=O)[n-]1 ZINC000348971622 386764478 /nfs/dbraw/zinc/76/44/78/386764478.db2.gz SADYKNJTELACAW-UHFFFAOYSA-N -1 3 228.317 2.111 20 0 BEADHM CO[N-]C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000279819523 386742518 /nfs/dbraw/zinc/74/25/18/386742518.db2.gz YAOVGVRXWHPKMT-PHDIDXHHSA-N -1 3 231.704 2.183 20 0 BEADHM C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000192899723 386772547 /nfs/dbraw/zinc/77/25/47/386772547.db2.gz MBLRQEKHHLSHLH-BXKDBHETSA-N -1 3 249.310 2.406 20 0 BEADHM CC(C)n1nccc1C[N-]c1nc(C2CC2)no1 ZINC000280122093 386782274 /nfs/dbraw/zinc/78/22/74/386782274.db2.gz WVHQIZAAELBLRU-UHFFFAOYSA-N -1 3 247.302 2.337 20 0 BEADHM Cc1noc([N-]C(=O)c2coc3ccccc23)n1 ZINC000113152847 386782414 /nfs/dbraw/zinc/78/24/14/386782414.db2.gz HVQOFUOYGZEJNG-UHFFFAOYSA-N -1 3 243.222 2.377 20 0 BEADHM C[C@H](C[C@H]1CCCO1)NC(=O)c1cccc([O-])c1 ZINC000357440889 386783931 /nfs/dbraw/zinc/78/39/31/386783931.db2.gz HYEZTVGLRYHOKS-ZWNOBZJWSA-N -1 3 249.310 2.080 20 0 BEADHM CSCCON=C([O-])Nc1ccccc1C ZINC000280531270 386821286 /nfs/dbraw/zinc/82/12/86/386821286.db2.gz NOFQLIMKKUWNGL-UHFFFAOYSA-N -1 3 240.328 2.411 20 0 BEADHM CSCCO[N-]C(=O)Nc1ccccc1C ZINC000280531270 386821292 /nfs/dbraw/zinc/82/12/92/386821292.db2.gz NOFQLIMKKUWNGL-UHFFFAOYSA-N -1 3 240.328 2.411 20 0 BEADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC1 ZINC000280321462 386804974 /nfs/dbraw/zinc/80/49/74/386804974.db2.gz RAAUQGKHXZIKGE-UHFFFAOYSA-N -1 3 245.200 2.257 20 0 BEADHM CSCCON=C([O-])Nc1ccc(C)cc1 ZINC000280592785 386825196 /nfs/dbraw/zinc/82/51/96/386825196.db2.gz TZCQHWPOJVYOLU-UHFFFAOYSA-N -1 3 240.328 2.411 20 0 BEADHM CSCCO[N-]C(=O)Nc1ccc(C)cc1 ZINC000280592785 386825202 /nfs/dbraw/zinc/82/52/02/386825202.db2.gz TZCQHWPOJVYOLU-UHFFFAOYSA-N -1 3 240.328 2.411 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)/C=C/c1ccc[nH]1 ZINC000293765149 386875414 /nfs/dbraw/zinc/87/54/14/386875414.db2.gz QKEYVKSPZNWPED-VQCYPWCPSA-N -1 3 222.288 2.122 20 0 BEADHM C[C@@H]1[C@H](C(=O)Nc2ccccc2[O-])C1(F)F ZINC000335751387 386876423 /nfs/dbraw/zinc/87/64/23/386876423.db2.gz SJTARTMFUZSMAF-HZGVNTEJSA-N -1 3 227.210 2.232 20 0 BEADHM CCc1ccc(C(=O)N2CC[C@H](F)C2)c([O-])c1 ZINC000334837137 386878285 /nfs/dbraw/zinc/87/82/85/386878285.db2.gz JRHJHPICJBWSEB-JTQLQIEISA-N -1 3 237.274 2.139 20 0 BEADHM CO[C@H](C)CN(C)Cc1c(F)ccc([O-])c1F ZINC000293793379 386878724 /nfs/dbraw/zinc/87/87/24/386878724.db2.gz CRNGGGYUWBFGAF-MRVPVSSYSA-N -1 3 245.269 2.137 20 0 BEADHM CC(C)C[C@@H](C)CC(=O)Nc1ccncc1[O-] ZINC000330778519 386883127 /nfs/dbraw/zinc/88/31/27/386883127.db2.gz BMCMCVAACIMNBX-SNVBAGLBSA-N -1 3 236.315 2.220 20 0 BEADHM CC[C@H]1C[C@H](C)CN1C(=O)c1csc(=O)[n-]1 ZINC000335756192 386884607 /nfs/dbraw/zinc/88/46/07/386884607.db2.gz IVXWPXIYYWZOPB-YUMQZZPRSA-N -1 3 240.328 2.109 20 0 BEADHM C[C@@H]1CN(C(=O)c2csc(=O)[n-]2)C(C)(C)C1 ZINC000335761943 386901233 /nfs/dbraw/zinc/90/12/33/386901233.db2.gz XYAKNTPEGGWEAG-ZETCQYMHSA-N -1 3 240.328 2.109 20 0 BEADHM COC[C@@H](C)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000094928849 386968720 /nfs/dbraw/zinc/96/87/20/386968720.db2.gz RKWFDZPJZNSVBC-VIFPVBQESA-N -1 3 248.282 2.267 20 0 BEADHM CCc1cc(C(=O)N2CC[C@@H](F)C2)ccc1[O-] ZINC000334916808 386991895 /nfs/dbraw/zinc/99/18/95/386991895.db2.gz GOHCDYLVPGEJGM-LLVKDONJSA-N -1 3 237.274 2.139 20 0 BEADHM CC(=O)c1ccc(C(=O)N(C)CC(C)C)cc1[O-] ZINC000331223611 386992962 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/nfs/dbraw/zinc/69/05/20/388690520.db2.gz JBMSOHCJIOWVCE-UHFFFAOYSA-N -1 3 241.674 2.353 20 0 BEADHM CCCCNC(=O)c1ccc([O-])c(C)c1 ZINC000226433320 388719007 /nfs/dbraw/zinc/71/90/07/388719007.db2.gz FEUUUGANZCTBRV-UHFFFAOYSA-N -1 3 207.273 2.231 20 0 BEADHM CCCCN(CCOC)Cc1ncccc1[O-] ZINC000554856687 388833739 /nfs/dbraw/zinc/83/37/39/388833739.db2.gz ZDELYZCSWKIXRS-UHFFFAOYSA-N -1 3 238.331 2.036 20 0 BEADHM Cc1csc([C@@H](C)NCc2ncccc2[O-])n1 ZINC000554861918 388835111 /nfs/dbraw/zinc/83/51/11/388835111.db2.gz UMTZRAOXCWUPPS-SECBINFHSA-N -1 3 249.339 2.403 20 0 BEADHM Cc1ccc(/C=C\C(=O)Nc2ncccc2[O-])o1 ZINC000254961595 388868134 /nfs/dbraw/zinc/86/81/34/388868134.db2.gz DNCLTNUJCZHOES-SREVYHEPSA-N -1 3 244.250 2.341 20 0 BEADHM COc1cccc(C(=O)N[C@@H](C)CC2CC2)c1[O-] ZINC000070104948 388876680 /nfs/dbraw/zinc/87/66/80/388876680.db2.gz LLRNBXFMHKOGCJ-VIFPVBQESA-N -1 3 249.310 2.319 20 0 BEADHM [O-]c1cccnc1CSc1nncn1C1CC1 ZINC000565237172 388930770 /nfs/dbraw/zinc/93/07/70/388930770.db2.gz FTTMCIOHUHCWMC-UHFFFAOYSA-N -1 3 248.311 2.006 20 0 BEADHM CC[C@@H](SC)C(=O)Nc1ccccc1[O-] ZINC000153314578 388961510 /nfs/dbraw/zinc/96/15/10/388961510.db2.gz MNDMDWLEINDENO-SNVBAGLBSA-N -1 3 225.313 2.472 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CCC=C(F)C2)c1 ZINC000272052384 389030052 /nfs/dbraw/zinc/03/00/52/389030052.db2.gz FDFCMEMFHPUBDM-UHFFFAOYSA-N -1 3 235.258 2.400 20 0 BEADHM C[C@@H]1CC[C@H](N(C)C(=O)c2csc(=O)[n-]2)C1 ZINC000336068248 134071108 /nfs/dbraw/zinc/07/11/08/134071108.db2.gz JUIMLWSCGFQZJM-SFYZADRCSA-N -1 3 240.328 2.109 20 0 BEADHM CCc1cc(C(=O)N[C@H]2CC[C@@H]2C)ccc1[O-] ZINC000336092359 134078770 /nfs/dbraw/zinc/07/87/70/134078770.db2.gz NPRDBSDXFKGPID-CABZTGNLSA-N -1 3 233.311 2.483 20 0 BEADHM COc1ccc(C(=O)N2CC[C@@H]2C(C)C)c([O-])c1 ZINC000336144115 134101325 /nfs/dbraw/zinc/10/13/25/134101325.db2.gz RHWFVUVWAHUIHQ-GFCCVEGCSA-N -1 3 249.310 2.271 20 0 BEADHM CC[C@]1(C)COCCN1C(=O)c1ccccc1[O-] ZINC000336143639 134101621 /nfs/dbraw/zinc/10/16/21/134101621.db2.gz JJRQBPWFQBEESK-CQSZACIVSA-N -1 3 249.310 2.033 20 0 BEADHM Cc1cccc(C(=O)N2[C@H](C)C[C@@H]2C)c1[O-] ZINC000336157947 134106555 /nfs/dbraw/zinc/10/65/55/134106555.db2.gz OZVDQLDNJAIIMK-AOOOYVTPSA-N -1 3 219.284 2.324 20 0 BEADHM Cc1cccc(C(=O)N2[C@H](C)C[C@H]2C)c1[O-] ZINC000336157948 134106664 /nfs/dbraw/zinc/10/66/64/134106664.db2.gz OZVDQLDNJAIIMK-NXEZZACHSA-N -1 3 219.284 2.324 20 0 BEADHM CC[C@@H](C)[C@@H](OC)C(=O)[N-]c1onc(C)c1C ZINC000359581262 134196075 /nfs/dbraw/zinc/19/60/75/134196075.db2.gz UEFHYSJZAKQYGQ-GMSGAONNSA-N -1 3 240.303 2.291 20 0 BEADHM CCc1ccc([O-])c(C(=O)NCc2ccc[nH]2)c1 ZINC000174964836 134283933 /nfs/dbraw/zinc/28/39/33/134283933.db2.gz PXDCPNWJPKRJQM-UHFFFAOYSA-N -1 3 244.294 2.213 20 0 BEADHM CCO[N-]C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000175086788 134284332 /nfs/dbraw/zinc/28/43/32/134284332.db2.gz CRSOLJWXGFVHGD-DZGCQCFKSA-N -1 3 245.322 2.348 20 0 BEADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@@H]1C1CC1 ZINC000175860775 134288297 /nfs/dbraw/zinc/28/82/97/134288297.db2.gz AVYORRSDQIYRQL-ZJUUUORDSA-N -1 3 217.268 2.377 20 0 BEADHM Cc1cc[nH]c(=O)c1C(=O)Nc1ccccc1[O-] ZINC000183582765 134354541 /nfs/dbraw/zinc/35/45/41/134354541.db2.gz FWXWNKPXOHPSCE-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM CC(C)Oc1ccccc1CNCCC(=O)[O-] ZINC000037252350 134602861 /nfs/dbraw/zinc/60/28/61/134602861.db2.gz MKUYLWLVBUIBJD-UHFFFAOYSA-N -1 3 237.299 2.038 20 0 BEADHM COc1ccc2oc(CNCCC(=O)[O-])cc2c1 ZINC000261980387 135268842 /nfs/dbraw/zinc/26/88/42/135268842.db2.gz JEFJDKIOPHUSOQ-UHFFFAOYSA-N -1 3 249.266 2.006 20 0 BEADHM C[C@H](C(=O)[O-])N(Cc1ccccc1F)C1CC1 ZINC000262262688 135288268 /nfs/dbraw/zinc/28/82/68/135288268.db2.gz RIEKAKCGYLRSSQ-SECBINFHSA-N -1 3 237.274 2.263 20 0 BEADHM Cc1cccc(CN(C)[C@@H](C)C(=O)[O-])c1F ZINC000263332640 135347126 /nfs/dbraw/zinc/34/71/26/135347126.db2.gz MMTUDZAGZRNDAF-VIFPVBQESA-N -1 3 225.263 2.039 20 0 BEADHM CCc1cccc(F)c1CN(C)[C@H](C)C(=O)[O-] ZINC000263449232 135355369 /nfs/dbraw/zinc/35/53/69/135355369.db2.gz ZAPOTTHFPIXROJ-SECBINFHSA-N -1 3 239.290 2.293 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC2(C)C)o1 ZINC000334376743 135377625 /nfs/dbraw/zinc/37/76/25/135377625.db2.gz VYLWPZMQWIANKB-SECBINFHSA-N -1 3 243.328 2.055 20 0 BEADHM Cc1ccnc([C@@H](C)NCc2ncccc2[O-])c1 ZINC000348358289 136072572 /nfs/dbraw/zinc/07/25/72/136072572.db2.gz QMUAGVDXKUDKEX-LLVKDONJSA-N -1 3 243.310 2.341 20 0 BEADHM Cc1cc[nH]c1C(=O)Nc1cccc([O-])c1F ZINC000335383192 136088160 /nfs/dbraw/zinc/08/81/60/136088160.db2.gz QNJPYMZBSOPIGV-UHFFFAOYSA-N -1 3 234.230 2.420 20 0 BEADHM C[C@@H]1CCN(C(=O)c2csc(=O)[n-]2)[C@H](C)C1 ZINC000335548681 136097450 /nfs/dbraw/zinc/09/74/50/136097450.db2.gz GCHXKJNNFJURHY-HTQZYQBOSA-N -1 3 240.328 2.109 20 0 BEADHM Cc1csc(S(=O)(=O)[N-]C2CCCC2)c1 ZINC000335588469 136102596 /nfs/dbraw/zinc/10/25/96/136102596.db2.gz FDUFRNCQCQWXJM-UHFFFAOYSA-N -1 3 245.369 2.277 20 0 BEADHM CC[C@H](C)CNC(=O)c1cccc(OC)c1[O-] ZINC000054475135 322856366 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BWAOPOSHVHSUFU-UHFFFAOYSA-N -1 3 240.328 2.066 20 0 BEADHM Cc1ccc(F)c(CN(C)[C@@H](C)CC(=O)[O-])c1 ZINC000516585201 398080206 /nfs/dbraw/zinc/08/02/06/398080206.db2.gz KRYHRPCVGRJGEX-JTQLQIEISA-N -1 3 239.290 2.429 20 0 BEADHM CCc1cc(C(=O)NC[C@H]2C[C@@H]2C)ccc1[O-] ZINC000291559901 398094879 /nfs/dbraw/zinc/09/48/79/398094879.db2.gz XSTLVWHGPZSXSI-JOYOIKCWSA-N -1 3 233.311 2.340 20 0 BEADHM CON(CC(C)(C)C)C(=O)c1cccc([O-])c1 ZINC000286510348 398081522 /nfs/dbraw/zinc/08/15/22/398081522.db2.gz NLJNKHVMECCFPL-UHFFFAOYSA-N -1 3 237.299 2.442 20 0 BEADHM [O-]c1cccc(CNCCCF)c1Cl ZINC000328442421 398082850 /nfs/dbraw/zinc/08/28/50/398082850.db2.gz HCDITNSBEVXZQW-UHFFFAOYSA-N -1 3 217.671 2.495 20 0 BEADHM CCc1noc(C)c1[N-]C(=O)c1ccc(F)cn1 ZINC000183207043 398088296 /nfs/dbraw/zinc/08/82/96/398088296.db2.gz JXHAQCCLVIWJJR-UHFFFAOYSA-N -1 3 249.245 2.332 20 0 BEADHM CCc1ccc(C(=O)NC/C=C/Cl)c([O-])c1 ZINC001648416731 1172832895 /nfs/dbraw/zinc/83/28/95/1172832895.db2.gz LATHIYBMNXVPRX-ZZXKWVIFSA-N 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CC(C)O[N-]C(=O)CCOc1ccccc1F ZINC000294124752 167274288 /nfs/dbraw/zinc/27/42/88/167274288.db2.gz OFOJDRHBOAHSCG-UHFFFAOYSA-N -1 3 241.262 2.051 20 0 BEADHM CC(C)O[N-]C(=O)/C=C/SCc1ccco1 ZINC000297175849 167274900 /nfs/dbraw/zinc/27/49/00/167274900.db2.gz KRKKRDNTJFWIDF-FNORWQNLSA-N -1 3 241.312 2.483 20 0 BEADHM CC(C)ON=C([O-])Nc1ccnc(Cl)c1 ZINC000297925245 167276758 /nfs/dbraw/zinc/27/67/58/167276758.db2.gz ZOYXIKYBRDTJAG-UHFFFAOYSA-N -1 3 229.667 2.197 20 0 BEADHM CC(C)O[N-]C(=O)Nc1ccnc(Cl)c1 ZINC000297925245 167276760 /nfs/dbraw/zinc/27/67/60/167276760.db2.gz ZOYXIKYBRDTJAG-UHFFFAOYSA-N -1 3 229.667 2.197 20 0 BEADHM Cc1ccc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)nc1 ZINC000397493800 410923469 /nfs/dbraw/zinc/92/34/69/410923469.db2.gz NTBPBNGOJDKFAP-VXGBXAGGSA-N -1 3 248.326 2.075 20 0 BEADHM CC(C)[C@H]1C[C@H]1C(=O)Nc1ncccc1[O-] ZINC000186822055 167508050 /nfs/dbraw/zinc/50/80/50/167508050.db2.gz QEGLUJNARFXLAA-RKDXNWHRSA-N -1 3 220.272 2.018 20 0 BEADHM CC(C)c1ccccc1NC(=O)c1nc[n-]n1 ZINC000082323592 167641714 /nfs/dbraw/zinc/64/17/14/167641714.db2.gz DPGWEFPSODRHOV-UHFFFAOYSA-N -1 3 230.271 2.180 20 0 BEADHM CC(C)CCN(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000045472947 411147204 /nfs/dbraw/zinc/14/72/04/411147204.db2.gz HJVLGFPDBJVFHT-UHFFFAOYSA-N -1 3 246.314 2.076 20 0 BEADHM CCc1coc([N-]C(=O)c2coc(C3CC3)n2)n1 ZINC000653786182 411172866 /nfs/dbraw/zinc/17/28/66/411172866.db2.gz SICYWSZHSOQWDW-UHFFFAOYSA-N -1 3 247.254 2.355 20 0 BEADHM CC(C)[C@@H](CN[C@@H](C)c1ccccn1)C(=O)[O-] ZINC000656098788 411178298 /nfs/dbraw/zinc/17/82/98/411178298.db2.gz KUXDHVOCQRIBRR-WDEREUQCSA-N -1 3 236.315 2.089 20 0 BEADHM CC(C)(C)C1CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000335108744 411203682 /nfs/dbraw/zinc/20/36/82/411203682.db2.gz DLOSTEFBFMDJCD-UHFFFAOYSA-N -1 3 249.310 2.216 20 0 BEADHM C[C@@H]1SCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000309853081 411294963 /nfs/dbraw/zinc/29/49/63/411294963.db2.gz YYHDILZRYAWCNF-WCBMZHEXSA-N -1 3 237.324 2.016 20 0 BEADHM Cc1cc(C(=O)N2CCC=C(C)C2)ccc1[O-] ZINC000230812990 168097394 /nfs/dbraw/zinc/09/73/94/168097394.db2.gz XDJGORSRTCLTPA-UHFFFAOYSA-N -1 3 231.295 2.493 20 0 BEADHM CCC(C)(C)C(=O)Nc1nc(C)ccc1[O-] ZINC000273339832 168270794 /nfs/dbraw/zinc/27/07/94/168270794.db2.gz AHYCMJYRYYUUGP-UHFFFAOYSA-N -1 3 222.288 2.470 20 0 BEADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000659799975 411457576 /nfs/dbraw/zinc/45/75/76/411457576.db2.gz LNEZRIUYAQZIHU-MWLCHTKSSA-N -1 3 235.283 2.128 20 0 BEADHM CO[C@@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000272798264 411434944 /nfs/dbraw/zinc/43/49/44/411434944.db2.gz YBVHRFSBAGRWIB-CHWSQXEVSA-N -1 3 249.310 2.080 20 0 BEADHM C[C@@]1(F)CCCN(C(=O)c2ccccc2[O-])C1 ZINC000295689459 411479139 /nfs/dbraw/zinc/47/91/39/411479139.db2.gz ZJKIVQXJZZPOAU-CYBMUJFWSA-N -1 3 237.274 2.356 20 0 BEADHM CCOC1CC(C(=O)Nc2ccc(C)cc2[O-])C1 ZINC000286787187 170322272 /nfs/dbraw/zinc/32/22/72/170322272.db2.gz UWFIYRXEHMGNLW-UHFFFAOYSA-N -1 3 249.310 2.454 20 0 BEADHM CCOCCN(C)Cc1c(F)ccc([O-])c1F ZINC000281152142 170389529 /nfs/dbraw/zinc/38/95/29/170389529.db2.gz ZWYOOSDVIDPGOE-UHFFFAOYSA-N -1 3 245.269 2.139 20 0 BEADHM C[C@@H]1CCCC[C@H]1CN(C)Cc1n[n-]c(=O)o1 ZINC000660844604 411656771 /nfs/dbraw/zinc/65/67/71/411656771.db2.gz QNSKJTCRSMFRKA-ZJUUUORDSA-N -1 3 239.319 2.033 20 0 BEADHM C[C@H]1CCCC[C@@H]1CN(C)Cc1n[n-]c(=O)o1 ZINC000660844603 411657687 /nfs/dbraw/zinc/65/76/87/411657687.db2.gz QNSKJTCRSMFRKA-VHSXEESVSA-N -1 3 239.319 2.033 20 0 BEADHM CCc1cc(=O)[n-]c(CN[C@H](CC)C2CC2)n1 ZINC000661759775 411868754 /nfs/dbraw/zinc/86/87/54/411868754.db2.gz ABDNORSSWUKGOB-LLVKDONJSA-N -1 3 235.331 2.023 20 0 BEADHM CC[C@H](C)CC(=O)Nc1nc(C)ccc1[O-] ZINC000276721217 171263906 /nfs/dbraw/zinc/26/39/06/171263906.db2.gz BUWNDHQQXXJJGJ-QMMMGPOBSA-N -1 3 222.288 2.470 20 0 BEADHM CC[C@H](C)CONC(=O)c1ccccc1[O-] ZINC000293727534 171289815 /nfs/dbraw/zinc/28/98/15/171289815.db2.gz NCTHPWSGPHHCRN-VIFPVBQESA-N -1 3 223.272 2.100 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)Nc1cccnc1 ZINC000291681406 171290324 /nfs/dbraw/zinc/29/03/24/171290324.db2.gz CLIFMUMSIIYKLL-VIFPVBQESA-N -1 3 223.276 2.181 20 0 BEADHM CC[C@H](C)[C@H]([N-]c1nc2ccccc2o1)C(N)=O ZINC000301709325 171399906 /nfs/dbraw/zinc/39/99/06/171399906.db2.gz HESCPTHUEAFBOJ-KWQFWETISA-N -1 3 247.298 2.140 20 0 BEADHM C[C@H](NC[C@H](C(=O)[O-])C1CCC1)c1ccccn1 ZINC000665360924 412287023 /nfs/dbraw/zinc/28/70/23/412287023.db2.gz FWPRNXXTPXXBSG-JQWIXIFHSA-N -1 3 248.326 2.233 20 0 BEADHM CC(=O)c1ccc(C(=O)NC2CC=CC2)cc1[O-] ZINC000665365014 412288113 /nfs/dbraw/zinc/28/81/13/412288113.db2.gz KTGAGJNGEFMKCF-UHFFFAOYSA-N -1 3 245.278 2.043 20 0 BEADHM CCc1ccc(C[N-]c2nc(CC)no2)o1 ZINC000292792488 172087751 /nfs/dbraw/zinc/08/77/51/172087751.db2.gz QNNCKHWEQVPOGT-UHFFFAOYSA-N -1 3 221.260 2.400 20 0 BEADHM CCc1noc([N-]Cc2ncc(C)s2)n1 ZINC000295914795 172088828 /nfs/dbraw/zinc/08/88/28/172088828.db2.gz JJUNGVJULHEQKR-UHFFFAOYSA-N -1 3 224.289 2.009 20 0 BEADHM CN(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000095711444 172388558 /nfs/dbraw/zinc/38/85/58/172388558.db2.gz CBMNODRDUNOCHK-UHFFFAOYSA-N -1 3 233.189 2.113 20 0 BEADHM COC(=O)c1cnc(S[C@H]2CC[C@H](C)C2)[n-]1 ZINC000292606489 173845445 /nfs/dbraw/zinc/84/54/45/173845445.db2.gz IIRVGHQOPHDEDX-YUMQZZPRSA-N -1 3 240.328 2.477 20 0 BEADHM COC1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000223753288 174029147 /nfs/dbraw/zinc/02/91/47/174029147.db2.gz MDCDNFAHTSYDEF-UHFFFAOYSA-N -1 3 239.290 2.142 20 0 BEADHM COCCC(C)(C)C(=O)Nc1ccccc1[O-] ZINC000183435528 174142603 /nfs/dbraw/zinc/14/26/03/174142603.db2.gz FANGNBHAVNPECT-UHFFFAOYSA-N -1 3 237.299 2.393 20 0 BEADHM COCCCCNCc1c(F)ccc([O-])c1F ZINC000294348042 174199622 /nfs/dbraw/zinc/19/96/22/174199622.db2.gz SKTDEAZDAPRTRK-UHFFFAOYSA-N -1 3 245.269 2.187 20 0 BEADHM COCCCO[N-]C(=O)/C=C(\C)c1ccccc1 ZINC000288310424 174255276 /nfs/dbraw/zinc/25/52/76/174255276.db2.gz WGFLMAOKIDINSL-VAWYXSNFSA-N -1 3 249.310 2.174 20 0 BEADHM COc1ccc(C(=O)NC2(C)CCCC2)c([O-])c1 ZINC000112703341 175058848 /nfs/dbraw/zinc/05/88/48/175058848.db2.gz GKCSPHMWWUJDDK-UHFFFAOYSA-N -1 3 249.310 2.463 20 0 BEADHM COc1ccc(NC(=O)[C@]2(C)C[C@H]2F)c([O-])c1 ZINC000335150713 175147579 /nfs/dbraw/zinc/14/75/79/175147579.db2.gz FWEJHBDIWFBZAY-ZYHUDNBSSA-N -1 3 239.246 2.087 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@H]2CCC2(C)C)c1 ZINC000336793233 175158113 /nfs/dbraw/zinc/15/81/13/175158113.db2.gz VVUVYNVLSAFPKA-LBPRGKRZSA-N -1 3 249.310 2.319 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@H]2C)c1 ZINC000177028443 175158151 /nfs/dbraw/zinc/15/81/51/175158151.db2.gz KDYSKKUMLRJMSE-VHSXEESVSA-N -1 3 249.310 2.271 20 0 BEADHM COc1cccc(C(=O)N2C[C@H](C)[C@@H](C)C2)c1[O-] ZINC000091439008 175244786 /nfs/dbraw/zinc/24/47/86/175244786.db2.gz AWDPBMLRJZALOU-UWVGGRQHSA-N -1 3 249.310 2.129 20 0 BEADHM COc1ccsc1C(=O)[N-]c1cc(C)on1 ZINC000106011086 175376557 /nfs/dbraw/zinc/37/65/57/175376557.db2.gz MEUOBWVFOROUJI-UHFFFAOYSA-N -1 3 238.268 2.305 20 0 BEADHM C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000037912253 176107020 /nfs/dbraw/zinc/10/70/20/176107020.db2.gz MFOJNQMZPMXRQJ-SECBINFHSA-N -1 3 205.257 2.017 20 0 BEADHM C[C@H]1CC[C@H](NC(=O)c2ccc(O)cc2[O-])CC1 ZINC000247195593 176212338 /nfs/dbraw/zinc/21/23/38/176212338.db2.gz QMICQSKBUWTMPO-MGCOHNPYSA-N -1 3 249.310 2.406 20 0 BEADHM C[C@@H]1CC[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000129293955 176232193 /nfs/dbraw/zinc/23/21/93/176232193.db2.gz IAYUVSXMFHTNPN-KOLCDFICSA-N -1 3 219.284 2.311 20 0 BEADHM C[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])C(C)(C)C1 ZINC000272733960 176260970 /nfs/dbraw/zinc/26/09/70/176260970.db2.gz KNXKWEPZBSEZCY-VIFPVBQESA-N -1 3 249.310 2.358 20 0 BEADHM C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccccc2[O-])O1 ZINC000282079716 176364952 /nfs/dbraw/zinc/36/49/52/176364952.db2.gz NXEXGHSKPNKVRH-LNLATYFQSA-N -1 3 235.283 2.144 20 0 BEADHM C[C@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000019837047 177074324 /nfs/dbraw/zinc/07/43/24/177074324.db2.gz CBBKAAOMFPEMHY-JTQLQIEISA-N -1 3 219.284 2.407 20 0 BEADHM C[C@H]1CCCCN1Cc1occc1C(=O)[O-] ZINC000035432921 177079193 /nfs/dbraw/zinc/07/91/93/177079193.db2.gz IGAHZIWKWMYJET-VIFPVBQESA-N -1 3 223.272 2.352 20 0 BEADHM C[C@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000125653731 177122118 /nfs/dbraw/zinc/12/21/18/177122118.db2.gz JJZAYMRMMNWBHR-VHSXEESVSA-N -1 3 249.310 2.406 20 0 BEADHM C[C@H]1CCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000105384442 177125610 /nfs/dbraw/zinc/12/56/10/177125610.db2.gz INSLANYOABKOSJ-KWQFWETISA-N -1 3 235.283 2.016 20 0 BEADHM C[C@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC000177116059 177154937 /nfs/dbraw/zinc/15/49/37/177154937.db2.gz RTOYZPXSCPOKBC-UWVGGRQHSA-N -1 3 219.284 2.263 20 0 BEADHM C[C@H]1C[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000235590842 177344046 /nfs/dbraw/zinc/34/40/46/177344046.db2.gz AZCWRSCTFMCPDA-JGVFFNPUSA-N -1 3 239.702 2.431 20 0 BEADHM C[C@H]1C[C@H]1CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000352308636 177378767 /nfs/dbraw/zinc/37/87/67/177378767.db2.gz YNCAYNDFUWEGAE-YUMQZZPRSA-N -1 3 246.270 2.049 20 0 BEADHM C[C@H]1C[C@H]1CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000352308636 177378768 /nfs/dbraw/zinc/37/87/68/177378768.db2.gz YNCAYNDFUWEGAE-YUMQZZPRSA-N -1 3 246.270 2.049 20 0 BEADHM C[C@H]1C[C@H]1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000352308636 177378769 /nfs/dbraw/zinc/37/87/69/177378769.db2.gz YNCAYNDFUWEGAE-YUMQZZPRSA-N -1 3 246.270 2.049 20 0 BEADHM C[C@H]1C[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000235606357 177381097 /nfs/dbraw/zinc/38/10/97/177381097.db2.gz AZCWRSCTFMCPDA-YUMQZZPRSA-N -1 3 239.702 2.431 20 0 BEADHM Cc1cncc(/C=C\C(=O)[N-]OCCC2CC2)c1 ZINC000492938897 226087211 /nfs/dbraw/zinc/08/72/11/226087211.db2.gz BOXDZJRWSHHBEA-PLNGDYQASA-N -1 3 246.310 2.251 20 0 BEADHM CO[N-]C(=O)/C=C\Sc1cc(F)ccc1F ZINC000493136207 226135304 /nfs/dbraw/zinc/13/53/04/226135304.db2.gz CXWMOZWDMQTCOQ-PLNGDYQASA-N -1 3 245.250 2.248 20 0 BEADHM COc1ccc(/C=C/C(=O)[N-]OC2CCC2)cc1 ZINC000493484741 226229117 /nfs/dbraw/zinc/22/91/17/226229117.db2.gz BFGNFKHFVAUXPL-JXMROGBWSA-N -1 3 247.294 2.309 20 0 BEADHM O=C(/C=C\c1ccccc1)[N-]OC1CCC1 ZINC000493690991 226249503 /nfs/dbraw/zinc/24/95/03/226249503.db2.gz RXKFKLKWWBZQQA-KTKRTIGZSA-N -1 3 217.268 2.300 20 0 BEADHM Cc1nnc([N-]C(=O)c2occ3c2CCC3)s1 ZINC000671664397 487678487 /nfs/dbraw/zinc/67/84/87/487678487.db2.gz CDNNGECDVCZUBB-UHFFFAOYSA-N -1 3 249.295 2.181 20 0 BEADHM CCC[C@H](C)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000665875275 487687105 /nfs/dbraw/zinc/68/71/05/487687105.db2.gz BMJDIXPADVMOGF-QMMMGPOBSA-N -1 3 247.298 2.187 20 0 BEADHM CCc1cc(=O)[n-]c(CN(C)C[C@H](C)CC)n1 ZINC000176881458 487687626 /nfs/dbraw/zinc/68/76/26/487687626.db2.gz FFCDCPMUJSLSOI-SNVBAGLBSA-N -1 3 237.347 2.223 20 0 BEADHM CC[C@H](NCc1ccsc1Cl)C(=O)[O-] ZINC000312704040 487708019 /nfs/dbraw/zinc/70/80/19/487708019.db2.gz VJKYCSVSPRCPRB-ZETCQYMHSA-N -1 3 233.720 2.354 20 0 BEADHM CCc1cc([N-]C(=O)c2nc(CC)oc2C)no1 ZINC000671734245 487712871 /nfs/dbraw/zinc/71/28/71/487712871.db2.gz PQZXJMAOOJVZJC-UHFFFAOYSA-N -1 3 249.270 2.348 20 0 BEADHM COc1cccc(C(=O)NC2(C3CC3)CC2)c1[O-] ZINC000675496609 487741905 /nfs/dbraw/zinc/74/19/05/487741905.db2.gz HSOAXDPXMPSBLS-UHFFFAOYSA-N -1 3 247.294 2.073 20 0 BEADHM O=C([N-]Cc1ccc(Cl)cc1F)C(F)F ZINC000787540084 585911376 /nfs/dbraw/zinc/91/13/76/585911376.db2.gz CEQZRJMMCSUHAJ-UHFFFAOYSA-N -1 3 237.608 2.360 20 0 BEADHM CCC(CC)CC(=O)[N-]OCCOC(C)C ZINC000812804811 586586710 /nfs/dbraw/zinc/58/67/10/586586710.db2.gz DRHHMPLDIALVQY-UHFFFAOYSA-N -1 3 231.336 2.286 20 0 BEADHM O=C(CCC(F)(F)F)[N-]OCCC1CC1 ZINC000817388005 586800162 /nfs/dbraw/zinc/80/01/62/586800162.db2.gz NDGTUXYXIUEUFB-UHFFFAOYSA-N -1 3 225.210 2.177 20 0 BEADHM CC1(C)CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000666573396 487833635 /nfs/dbraw/zinc/83/36/35/487833635.db2.gz IEELSOBOXMSURF-UHFFFAOYSA-N -1 3 219.284 2.369 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000832733590 587680798 /nfs/dbraw/zinc/68/07/98/587680798.db2.gz UKLVTWPJBUCKGT-BWZBUEFSSA-N -1 3 239.237 2.279 20 0 BEADHM CCCO[N-]C(=O)/C=C\c1c(F)cccc1F ZINC000493857113 528599589 /nfs/dbraw/zinc/59/95/89/528599589.db2.gz MRVFMEFETVIJOO-SREVYHEPSA-N -1 3 241.237 2.436 20 0 BEADHM C[C@@H]1CCN(Cc2cc(C(=O)[O-])co2)C[C@H]1C ZINC000253072393 487846691 /nfs/dbraw/zinc/84/66/91/487846691.db2.gz NZCBHDVYUPAZEW-NXEZZACHSA-N -1 3 237.299 2.456 20 0 BEADHM O=C([O-])c1ccccc1OCCN1CCCCC1 ZINC000011804141 487889067 /nfs/dbraw/zinc/88/90/67/487889067.db2.gz ZYEQPZGUBBVRGU-UHFFFAOYSA-N -1 3 249.310 2.250 20 0 BEADHM C[C@H]1CCCN1[C@@H](C(=O)[O-])c1ccsc1 ZINC000146739594 487891284 /nfs/dbraw/zinc/89/12/84/487891284.db2.gz KVXNVGLDHIFFKQ-WCBMZHEXSA-N -1 3 225.313 2.358 20 0 BEADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@H]2C[C@H]2C1 ZINC000666920677 487904493 /nfs/dbraw/zinc/90/44/93/487904493.db2.gz AIUIKGUEQGJANH-MYJAWHEDSA-N -1 3 217.268 2.377 20 0 BEADHM CC(C)C([N-]S(=O)(=O)c1ccco1)C(C)C ZINC000682083152 487906071 /nfs/dbraw/zinc/90/60/71/487906071.db2.gz GRVUKFFVOHOPSY-UHFFFAOYSA-N -1 3 245.344 2.239 20 0 BEADHM C[C@H]1C[C@H](C)N(Cc2cc(C(=O)[O-])co2)C1 ZINC000158024461 487935523 /nfs/dbraw/zinc/93/55/23/487935523.db2.gz XXDOFQXRLWZZKP-IUCAKERBSA-N -1 3 223.272 2.208 20 0 BEADHM C[C@@H]1C[C@H](C)N(Cc2cc(C(=O)[O-])co2)C1 ZINC000158024314 487935746 /nfs/dbraw/zinc/93/57/46/487935746.db2.gz XXDOFQXRLWZZKP-BDAKNGLRSA-N -1 3 223.272 2.208 20 0 BEADHM C[C@@H]1C[C@@H](C)N(Cc2cc(C(=O)[O-])co2)C1 ZINC000158024597 487935786 /nfs/dbraw/zinc/93/57/86/487935786.db2.gz XXDOFQXRLWZZKP-RKDXNWHRSA-N -1 3 223.272 2.208 20 0 BEADHM C[C@@H]1CCC[C@@H](N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000682396203 487947026 /nfs/dbraw/zinc/94/70/26/487947026.db2.gz RCLKFNHNEDBVEP-NXEZZACHSA-N -1 3 245.330 2.107 20 0 BEADHM Cc1oc(CN(C)CCCCF)cc1C(=O)[O-] ZINC000569700897 323037533 /nfs/dbraw/zinc/03/75/33/323037533.db2.gz LWHFMRGXYKCZLH-UHFFFAOYSA-N -1 3 243.278 2.468 20 0 BEADHM C[C@H](CC(=O)Nc1ccccc1[O-])n1ccnc1 ZINC000570832473 323072207 /nfs/dbraw/zinc/07/22/07/323072207.db2.gz CCGNICSVOCUEKN-SNVBAGLBSA-N -1 3 245.282 2.179 20 0 BEADHM CCc1ccc([O-])c(C(=O)NC[C@H]2C[C@@H]2C)c1 ZINC000522754434 323091566 /nfs/dbraw/zinc/09/15/66/323091566.db2.gz IBBHRMAHGLRDPF-GXSJLCMTSA-N -1 3 233.311 2.340 20 0 BEADHM O=C(Nc1ccncc1[O-])[C@H]1CC12CCCCC2 ZINC000531673977 323111401 /nfs/dbraw/zinc/11/14/01/323111401.db2.gz QBRXOUPIOVULKS-SNVBAGLBSA-N -1 3 246.310 2.118 20 0 BEADHM [O-]c1cccnc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000571483433 323145873 /nfs/dbraw/zinc/14/58/73/323145873.db2.gz YWIKHNKFDJKVPE-CYBMUJFWSA-N -1 3 243.310 2.452 20 0 BEADHM C[C@@H](CC1CC1)NC(=O)c1ccc(O)cc1[O-] ZINC000112601773 323171136 /nfs/dbraw/zinc/17/11/36/323171136.db2.gz KRFASWXISMXYOG-QMMMGPOBSA-N -1 3 235.283 2.016 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2CCOC[C@H]2C)c([O-])c1 ZINC000195315314 323204411 /nfs/dbraw/zinc/20/44/11/323204411.db2.gz HSSDHRWANHSYRB-GHMZBOCLSA-N -1 3 249.310 2.312 20 0 BEADHM CC(C)N(CC1CC1)C(=O)c1csc(=O)[n-]1 ZINC000526853145 323303375 /nfs/dbraw/zinc/30/33/75/323303375.db2.gz VZHHZGHRTAZMHY-UHFFFAOYSA-N -1 3 240.328 2.109 20 0 BEADHM C[C@H](NCc1ncccc1[O-])c1cccc(O)c1 ZINC000563918192 323321982 /nfs/dbraw/zinc/32/19/82/323321982.db2.gz YLFHNCRBMSKLPF-JTQLQIEISA-N -1 3 244.294 2.344 20 0 BEADHM COc1cccc(C(=O)N2[C@H](C)CC[C@@H]2C)c1[O-] ZINC000162449282 323617562 /nfs/dbraw/zinc/61/75/62/323617562.db2.gz DSBUPBRHECXGKY-AOOOYVTPSA-N -1 3 249.310 2.414 20 0 BEADHM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)[N-]OC1CCCC1 ZINC000528965772 324225419 /nfs/dbraw/zinc/22/54/19/324225419.db2.gz OGBYUHPDVNXUEP-UWJYBYFXSA-N -1 3 223.316 2.269 20 0 BEADHM C[C@@H]1[C@@H](C(=O)[N-]OC2CCCC2)[C@H]1C1CC1 ZINC000528965773 324225848 /nfs/dbraw/zinc/22/58/48/324225848.db2.gz OGBYUHPDVNXUEP-XXILOJSOSA-N -1 3 223.316 2.269 20 0 BEADHM Cc1scnc1NC([O-])=NOC1CCCC1 ZINC000529142949 324252802 /nfs/dbraw/zinc/25/28/02/324252802.db2.gz NYCGWBHQHPSMSJ-UHFFFAOYSA-N -1 3 241.316 2.447 20 0 BEADHM Cc1scnc1NC(=O)[N-]OC1CCCC1 ZINC000529142949 324252805 /nfs/dbraw/zinc/25/28/05/324252805.db2.gz NYCGWBHQHPSMSJ-UHFFFAOYSA-N -1 3 241.316 2.447 20 0 BEADHM CSCCCNC(=O)c1cccc(C)c1[O-] ZINC000069015312 324919945 /nfs/dbraw/zinc/91/99/45/324919945.db2.gz SYSAICRVJGKABF-UHFFFAOYSA-N -1 3 239.340 2.184 20 0 BEADHM Cc1cc(C(=O)NC2(C3CC3)CC2)ccc1[O-] ZINC000540927893 324932497 /nfs/dbraw/zinc/93/24/97/324932497.db2.gz KUEZEKMRLGQNRQ-UHFFFAOYSA-N -1 3 231.295 2.373 20 0 BEADHM Cc1ccc(CCNC(=O)c2cccc([O-])c2)o1 ZINC000543746239 325108424 /nfs/dbraw/zinc/10/84/24/325108424.db2.gz LWHPUBNEECLABF-UHFFFAOYSA-N -1 3 245.278 2.266 20 0 BEADHM CCc1cccc(C(=O)Nc2nc(C)c[nH]2)c1[O-] ZINC000131096550 325114738 /nfs/dbraw/zinc/11/47/38/325114738.db2.gz CGPLGISXULOFCP-UHFFFAOYSA-N -1 3 245.282 2.238 20 0 BEADHM CC(C)(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132696006 325238892 /nfs/dbraw/zinc/23/88/92/325238892.db2.gz OCHIROOIOMHESS-UHFFFAOYSA-N -1 3 225.263 2.194 20 0 BEADHM O=C(NCc1ccc([O-])c(F)c1)C1CC=CC1 ZINC000077615990 325384528 /nfs/dbraw/zinc/38/45/28/325384528.db2.gz OTDDESNUEQZNKA-UHFFFAOYSA-N -1 3 235.258 2.114 20 0 BEADHM CO[C@@H](C(=O)Nc1cccc([O-])c1F)C(C)C ZINC000548105019 325431028 /nfs/dbraw/zinc/43/10/28/325431028.db2.gz FZNQATAYCAWFBE-LLVKDONJSA-N -1 3 241.262 2.141 20 0 BEADHM O=C(CCC1CCC1)N=c1cc2ccccn2[n-]1 ZINC000553316887 325685963 /nfs/dbraw/zinc/68/59/63/325685963.db2.gz DIVQVIIPAGVICI-UHFFFAOYSA-N -1 3 243.310 2.275 20 0 BEADHM CC[C@@]1(C)C[C@H]1C(=O)N=c1cc2ccccn2[n-]1 ZINC000553330998 325686509 /nfs/dbraw/zinc/68/65/09/325686509.db2.gz PJESNLQXNHKWTN-FZMZJTMJSA-N -1 3 243.310 2.131 20 0 BEADHM CC[C@H](C)N(C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554525142 325724902 /nfs/dbraw/zinc/72/49/02/325724902.db2.gz IFJDAKISVVWNAP-JTQLQIEISA-N -1 3 246.314 2.018 20 0 BEADHM C[C@@H](C1CC1)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000255040231 325789578 /nfs/dbraw/zinc/78/95/78/325789578.db2.gz CXZSBTOHORYPDB-NWPZZWLHSA-N -1 3 246.310 2.057 20 0 BEADHM CC(C)(C)C=Cc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000564961351 325835716 /nfs/dbraw/zinc/83/57/16/325835716.db2.gz PVUOJGAFWUYZBM-PLNGDYQASA-N -1 3 246.270 2.292 20 0 BEADHM CC[C@@H](NCc1cccc(C)c1F)C(=O)[O-] ZINC000565538256 325925110 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UTFULONKTCZYQJ-ZETCQYMHSA-N -1 3 240.130 2.417 20 0 BEADHM CCCO[N-]C(=O)C1(CCOC)CCCC1 ZINC000844085751 582569539 /nfs/dbraw/zinc/56/95/39/582569539.db2.gz KFZAEXNHTJUOAD-UHFFFAOYSA-N -1 3 229.320 2.041 20 0 BEADHM O=c1cc(N2CCC[C@@H]2C2CCCC2)nc[n-]1 ZINC000891949584 582743870 /nfs/dbraw/zinc/74/38/70/582743870.db2.gz VGJUHPAPSNXKSS-LLVKDONJSA-N -1 3 233.315 2.341 20 0 BEADHM O=C([N-]OCc1cccnc1)[C@@]12C[C@@H]1CCCC2 ZINC000866862398 582766937 /nfs/dbraw/zinc/76/69/37/582766937.db2.gz GNTBETUFZCOIHH-JSGCOSHPSA-N -1 3 246.310 2.210 20 0 BEADHM CN(Cc1ccon1)Cc1ccc([O-])c(F)c1 ZINC000892083381 582787787 /nfs/dbraw/zinc/78/77/87/582787787.db2.gz PNYZGQQTPFRLFQ-UHFFFAOYSA-N -1 3 236.246 2.151 20 0 BEADHM Cc1nc(N(C)[C@@H](C)c2ccccn2)cc(=O)[n-]1 ZINC000892086548 582788162 /nfs/dbraw/zinc/78/81/62/582788162.db2.gz RSOSUISEOKBLFK-VIFPVBQESA-N -1 3 244.298 2.083 20 0 BEADHM Cc1ccc(CN(C)c2cc(=O)[n-]cn2)s1 ZINC000892308210 582834923 /nfs/dbraw/zinc/83/49/23/582834923.db2.gz GJVKUOFQLLSQIL-UHFFFAOYSA-N 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Cc1ccc([O-])c(C(=O)NOCC2CCC2)c1 ZINC000856344942 588868704 /nfs/dbraw/zinc/86/87/04/588868704.db2.gz CLNGQISFXKLMNQ-UHFFFAOYSA-N -1 3 235.283 2.162 20 0 BEADHM CCCC1(C(=O)[N-]OCC2CCC2)CC1 ZINC000856347896 588868840 /nfs/dbraw/zinc/86/88/40/588868840.db2.gz HDCOXXBTPBTCFP-UHFFFAOYSA-N -1 3 211.305 2.415 20 0 BEADHM O=c1cc(N2CCCC3(CCCC3)C2)nc[n-]1 ZINC000893383589 583133061 /nfs/dbraw/zinc/13/30/61/583133061.db2.gz UTRBVPDXAZOJOU-UHFFFAOYSA-N -1 3 233.315 2.343 20 0 BEADHM CC(C)(CNc1cc(=O)[n-]cn1)C(F)(F)F ZINC000893707404 583207554 /nfs/dbraw/zinc/20/75/54/583207554.db2.gz SPZFYGYAXRAAIU-UHFFFAOYSA-N -1 3 235.209 2.183 20 0 BEADHM Cc1nc(N[C@H]2CCC[C@@H]3C[C@@H]32)cc(=O)[n-]1 ZINC000894166783 583323624 /nfs/dbraw/zinc/32/36/24/583323624.db2.gz GHPPTQIKTRTNPQ-UTLUCORTSA-N -1 3 219.288 2.091 20 0 BEADHM C[C@]1(CCNc2cc(=O)[n-]cn2)C[C@]1(F)Cl ZINC000894387125 583444161 /nfs/dbraw/zinc/44/41/61/583444161.db2.gz IIRVDAXDCVGYKG-VHSXEESVSA-N -1 3 245.685 2.299 20 0 BEADHM C[C@]1(CCNc2cc(=O)[n-]cn2)C[C@@]1(F)Cl ZINC000894387124 583444610 /nfs/dbraw/zinc/44/46/10/583444610.db2.gz IIRVDAXDCVGYKG-UWVGGRQHSA-N -1 3 245.685 2.299 20 0 BEADHM CS[C@@H]1CCN(Cc2ccc([O-])c(F)c2)C1 ZINC000894692279 583507490 /nfs/dbraw/zinc/50/74/90/583507490.db2.gz ROXZSEQDFAIBNZ-SNVBAGLBSA-N -1 3 241.331 2.469 20 0 BEADHM Cc1nc(N2CCCC3(CC3)CC2)cc(=O)[n-]1 ZINC000894817693 583524188 /nfs/dbraw/zinc/52/41/88/583524188.db2.gz VSEFUIWMAAGROF-UHFFFAOYSA-N -1 3 233.315 2.261 20 0 BEADHM CC[C@H](C)OC(=O)c1ccc(F)cc1[O-] ZINC000750144260 583634816 /nfs/dbraw/zinc/63/48/16/583634816.db2.gz KTACAUQRYQRIIX-ZETCQYMHSA-N -1 3 212.220 2.487 20 0 BEADHM COC(C)(C)[C@H](C)Nc1cc(Cl)n[n-]c1=O ZINC000895785152 583727313 /nfs/dbraw/zinc/72/73/13/583727313.db2.gz DPAQIAVFRKGOGE-LURJTMIESA-N -1 3 245.710 2.061 20 0 BEADHM C[C@@H]1COC[C@@H]1[N-]c1nc(-c2ccccc2)no1 ZINC000895904308 583742666 /nfs/dbraw/zinc/74/26/66/583742666.db2.gz BLTLIKBUPFFLTA-KOLCDFICSA-N -1 3 245.282 2.183 20 0 BEADHM 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CCC(CC)n1[n-]cc2c(=O)cccc-2c1=O ZINC000899350722 584204015 /nfs/dbraw/zinc/20/40/15/584204015.db2.gz NWPROZKTCRTAHT-UHFFFAOYSA-N -1 3 232.283 2.463 20 0 BEADHM CCC(CC)n1ncc2c([O-])cccc2c1=O ZINC000899350722 584204017 /nfs/dbraw/zinc/20/40/17/584204017.db2.gz NWPROZKTCRTAHT-UHFFFAOYSA-N -1 3 232.283 2.463 20 0 BEADHM Cc1[n-]n([C@@H]2CCOC2(C)C)c(=O)c1C(C)C ZINC000899356957 584205806 /nfs/dbraw/zinc/20/58/06/584205806.db2.gz XZVASJMETRNFRD-GHMZBOCLSA-N -1 3 238.331 2.044 20 0 BEADHM Cc1[n-]n([C@H]2CCOC2(C)C)c(=O)c1C(C)C ZINC000899356960 584206057 /nfs/dbraw/zinc/20/60/57/584206057.db2.gz XZVASJMETRNFRD-WDEREUQCSA-N -1 3 238.331 2.044 20 0 BEADHM O=C(CCF)N1CCCc2cccc([O-])c21 ZINC000901275347 584412962 /nfs/dbraw/zinc/41/29/62/584412962.db2.gz WGBMLVJDDSGNNW-UHFFFAOYSA-N -1 3 223.247 2.031 20 0 BEADHM CCC/C=C/[C@H](O)C(=O)Nc1c(C)cccc1[O-] ZINC000901293559 584423119 /nfs/dbraw/zinc/42/31/19/584423119.db2.gz IONFZNOMFTULSJ-ZCRIDZFUSA-N -1 3 249.310 2.356 20 0 BEADHM CCC/C=C\[C@H](O)C(=O)Nc1c(C)cccc1[O-] ZINC000901293557 584423197 /nfs/dbraw/zinc/42/31/97/584423197.db2.gz IONFZNOMFTULSJ-JECSTDCCSA-N -1 3 249.310 2.356 20 0 BEADHM CCC/C=C/[C@@H](O)C(=O)Nc1c(C)cccc1[O-] ZINC000901293556 584423429 /nfs/dbraw/zinc/42/34/29/584423429.db2.gz IONFZNOMFTULSJ-FZKGZDJFSA-N -1 3 249.310 2.356 20 0 BEADHM CCCCn1c(=O)[n-]nc1S[C@H](C)OCC ZINC000901402578 584443250 /nfs/dbraw/zinc/44/32/50/584443250.db2.gz NDAJPOCKZVUWJJ-MRVPVSSYSA-N -1 3 245.348 2.258 20 0 BEADHM C[C@@H]1C[C@H]1c1ccc(CNC2(CC(=O)[O-])CC2)o1 ZINC000901480439 584449278 /nfs/dbraw/zinc/44/92/78/584449278.db2.gz OMEGVUKINICMQX-MWLCHTKSSA-N -1 3 249.310 2.500 20 0 BEADHM C[C@H]1C[C@H]1CNCc1ccc(C(=O)[O-])cc1F ZINC000901756670 584490469 /nfs/dbraw/zinc/49/04/69/584490469.db2.gz ZPXCNUWHKXLUOE-KWQFWETISA-N -1 3 237.274 2.270 20 0 BEADHM Cc1cc(CN[C@@H](CC(F)F)C(=O)[O-])c(C)o1 ZINC000901816624 584497713 /nfs/dbraw/zinc/49/77/13/584497713.db2.gz WZVMVCJMQJBYJA-VIFPVBQESA-N -1 3 247.241 2.094 20 0 BEADHM CC(C)[C@@](C)(CC(=O)[O-])NCc1nccs1 ZINC000901818909 584500125 /nfs/dbraw/zinc/50/01/25/584500125.db2.gz MHZIYNSADWGYLK-LLVKDONJSA-N -1 3 242.344 2.122 20 0 BEADHM C[C@@](CC(=O)[O-])([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000901949210 584507085 /nfs/dbraw/zinc/50/70/85/584507085.db2.gz CGMXVJQGXRCPPS-AWEZNQCLSA-N -1 3 249.310 2.125 20 0 BEADHM Cc1ccc(CN[C@](C)(CC(=O)[O-])C2CC2)o1 ZINC000901949841 584507127 /nfs/dbraw/zinc/50/71/27/584507127.db2.gz JSAKMQZTKKYIOD-CYBMUJFWSA-N -1 3 237.299 2.321 20 0 BEADHM CCCNCc1cc(C(=O)[O-])c(CC)o1 ZINC000902058432 584521013 /nfs/dbraw/zinc/52/10/13/584521013.db2.gz LKPBGSYJXVFATG-UHFFFAOYSA-N -1 3 211.261 2.040 20 0 BEADHM CCOc1ccc(C[N-]c2nc(CC)no2)o1 ZINC000902097332 584525353 /nfs/dbraw/zinc/52/53/53/584525353.db2.gz OXPNBCPUBOZCIV-UHFFFAOYSA-N -1 3 237.259 2.236 20 0 BEADHM Cn1c(=O)[n-]nc1SCC[C@@H]1C[C@H]1C1CC1 ZINC000902200602 584537576 /nfs/dbraw/zinc/53/75/76/584537576.db2.gz ARRCWIFMWPTNBE-BDAKNGLRSA-N -1 3 239.344 2.049 20 0 BEADHM CC/C=C\CNCc1ccc(OCC(=O)[O-])cc1 ZINC000902278963 584546911 /nfs/dbraw/zinc/54/69/11/584546911.db2.gz HAIYYCOEBGJBKR-ARJAWSKDSA-N -1 3 249.310 2.206 20 0 BEADHM O=C([O-])/C=C/c1ccc(CNC2(C3CC3)CC2)o1 ZINC000902271518 584549645 /nfs/dbraw/zinc/54/96/45/584549645.db2.gz VFVSZQNTAJKBNV-AATRIKPKSA-N -1 3 247.294 2.410 20 0 BEADHM CCc1oc(CNC2CC(C)C2)cc1C(=O)[O-] ZINC000902273775 584549979 /nfs/dbraw/zinc/54/99/79/584549979.db2.gz LGBAMNVCFRKXTB-UHFFFAOYSA-N -1 3 237.299 2.428 20 0 BEADHM O=C([O-])/C=C\c1ccc(CNCC2CC=CC2)o1 ZINC000902274026 584550408 /nfs/dbraw/zinc/55/04/08/584550408.db2.gz RPHOYBZHFUDUAF-FPLPWBNLSA-N -1 3 247.294 2.433 20 0 BEADHM O=C([O-])/C=C\c1ccc(CNC2C[C@H]3C[C@H]3C2)o1 ZINC000902420748 584592230 /nfs/dbraw/zinc/59/22/30/584592230.db2.gz DYFGJDCHSONQEE-ACNMEMRISA-N -1 3 247.294 2.266 20 0 BEADHM CCOC([O-])=NOCC[C@@H]1C[C@H]1C1CC1 ZINC000902450676 584606855 /nfs/dbraw/zinc/60/68/55/584606855.db2.gz MXGJRWDPNFWHGW-ZJUUUORDSA-N -1 3 213.277 2.100 20 0 BEADHM CCOC(=O)[N-]OCC[C@@H]1C[C@H]1C1CC1 ZINC000902450676 584606856 /nfs/dbraw/zinc/60/68/56/584606856.db2.gz MXGJRWDPNFWHGW-ZJUUUORDSA-N -1 3 213.277 2.100 20 0 BEADHM C[C@@H]1CCCN1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902531513 584633122 /nfs/dbraw/zinc/63/31/22/584633122.db2.gz UQDXXQZDESAROI-JYESYGNLSA-N -1 3 235.283 2.362 20 0 BEADHM C[C@H]1CCCN1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902531511 584633385 /nfs/dbraw/zinc/63/33/85/584633385.db2.gz UQDXXQZDESAROI-FGEFZZPRSA-N -1 3 235.283 2.362 20 0 BEADHM Cc1cc(C)nc(CO[N-]C(=O)C(C)(C)C)c1 ZINC000902703807 584658799 /nfs/dbraw/zinc/65/87/99/584658799.db2.gz AWDWANZOXXSHIE-UHFFFAOYSA-N -1 3 236.315 2.292 20 0 BEADHM CC(C)(C)CC(=O)[N-]OCc1ccns1 ZINC000902749815 584664859 /nfs/dbraw/zinc/66/48/59/584664859.db2.gz WFLOEZBQIPAZGU-UHFFFAOYSA-N -1 3 228.317 2.127 20 0 BEADHM CCc1oc(C(=O)[O-])cc1CN(C)CCCF ZINC000903627228 584787779 /nfs/dbraw/zinc/78/77/79/584787779.db2.gz NGSOPLBINHPLAJ-UHFFFAOYSA-N -1 3 243.278 2.332 20 0 BEADHM O=C([O-])c1coc(CN2CCCC23CCC3)c1 ZINC000903632407 584788300 /nfs/dbraw/zinc/78/83/00/584788300.db2.gz YHYIEPXZLVPDOX-UHFFFAOYSA-N -1 3 235.283 2.496 20 0 BEADHM C[C@@H]1CC(C)(C)CN1Cc1cncc(C(=O)[O-])c1 ZINC000903894292 584819710 /nfs/dbraw/zinc/81/97/10/584819710.db2.gz SHXFKQRPRHYPCC-SNVBAGLBSA-N -1 3 248.326 2.400 20 0 BEADHM CCCONC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904196455 584850568 /nfs/dbraw/zinc/85/05/68/584850568.db2.gz VNABLNIDTGXERQ-UHFFFAOYSA-N -1 3 242.250 2.068 20 0 BEADHM CC[C@](C)(CC(=O)[O-])NCc1c(C)noc1C ZINC000828664811 584903829 /nfs/dbraw/zinc/90/38/29/584903829.db2.gz ITUISQZGGNFZGQ-GFCCVEGCSA-N -1 3 240.303 2.024 20 0 BEADHM C[C@H](C(=O)[N-]O[C@H]1CCCCO1)C(C)(C)C ZINC000734433774 584962424 /nfs/dbraw/zinc/96/24/24/584962424.db2.gz SPJBTZSOEXYFOF-ZJUUUORDSA-N -1 3 229.320 2.243 20 0 BEADHM C1=CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735401201 584976605 /nfs/dbraw/zinc/97/66/05/584976605.db2.gz ZMDQXEMASSEZCU-NSHDSACASA-N -1 3 241.298 2.387 20 0 BEADHM C1=CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735401201 584976606 /nfs/dbraw/zinc/97/66/06/584976606.db2.gz ZMDQXEMASSEZCU-NSHDSACASA-N -1 3 241.298 2.387 20 0 BEADHM c1cc(O[C@H]2C=CCCC2)cc(-c2nnn[n-]2)c1 ZINC000735401143 584976737 /nfs/dbraw/zinc/97/67/37/584976737.db2.gz XRGFQZAXIMIUAW-NSHDSACASA-N -1 3 242.282 2.354 20 0 BEADHM c1cc(O[C@H]2C=CCCC2)cc(-c2nn[n-]n2)c1 ZINC000735401143 584976738 /nfs/dbraw/zinc/97/67/38/584976738.db2.gz XRGFQZAXIMIUAW-NSHDSACASA-N -1 3 242.282 2.354 20 0 BEADHM CCC(CC)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736346098 584998567 /nfs/dbraw/zinc/99/85/67/584998567.db2.gz QIKITRPPAIRPQR-UHFFFAOYSA-N -1 3 231.303 2.467 20 0 BEADHM CCC(CC)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736346098 584998568 /nfs/dbraw/zinc/99/85/68/584998568.db2.gz QIKITRPPAIRPQR-UHFFFAOYSA-N -1 3 231.303 2.467 20 0 BEADHM CCCCN[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000736999571 585022060 /nfs/dbraw/zinc/02/20/60/585022060.db2.gz YULDRCPNOFPAPQ-LLVKDONJSA-N -1 3 243.253 2.480 20 0 BEADHM 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235.331 2.254 20 0 BEADHM O=c1ccnc(C=Cc2cccnc2Cl)[n-]1 ZINC000764434706 585465710 /nfs/dbraw/zinc/46/57/10/585465710.db2.gz MEEPWEDOSUHFFP-ARJAWSKDSA-N -1 3 233.658 2.401 20 0 BEADHM C[C@@H]1CC[C@@H](OC(=O)c2ccc([O-])cc2O)C1 ZINC000767517439 585521621 /nfs/dbraw/zinc/52/16/21/585521621.db2.gz CUOOGLLIULUYRD-PSASIEDQSA-N -1 3 236.267 2.443 20 0 BEADHM CC(=O)[N-]OCc1ccc(Cl)cc1C ZINC000768927848 585546243 /nfs/dbraw/zinc/54/62/43/585546243.db2.gz UJFSUGSIGSDNCL-UHFFFAOYSA-N -1 3 213.664 2.216 20 0 BEADHM CS/C=C\C(=O)NCc1ccc([O-])c(F)c1 ZINC000769554723 585559385 /nfs/dbraw/zinc/55/93/85/585559385.db2.gz DRACDKSNXDBJSP-PLNGDYQASA-N -1 3 241.287 2.024 20 0 BEADHM C/C=C/C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000770868234 585583305 /nfs/dbraw/zinc/58/33/05/585583305.db2.gz NYIJZRMPMJADDL-HWKANZROSA-N -1 3 249.266 2.084 20 0 BEADHM O=C(OCc1cccnc1)c1c([O-])cccc1F ZINC000772579962 585618468 /nfs/dbraw/zinc/61/84/68/585618468.db2.gz SZAKBKDVZCRGDR-UHFFFAOYSA-N -1 3 247.225 2.283 20 0 BEADHM CCOCCO[N-]C(=O)/C(C)=C/C(C)(C)C ZINC000772701313 585621253 /nfs/dbraw/zinc/62/12/53/585621253.db2.gz COBUFIUTUOWONT-MDZDMXLPSA-N -1 3 229.320 2.063 20 0 BEADHM CCC1(C(=O)[N-]OC2CCOCC2)CCCC1 ZINC000772711441 585621804 /nfs/dbraw/zinc/62/18/04/585621804.db2.gz KSXOVXMAEDVELP-UHFFFAOYSA-N -1 3 241.331 2.184 20 0 BEADHM CCCCCCC(=O)[N-]OC1CCOCC1 ZINC000772717911 585622097 /nfs/dbraw/zinc/62/20/97/585622097.db2.gz IKYMSBNVDBWMNA-UHFFFAOYSA-N -1 3 229.320 2.184 20 0 BEADHM CSCCOC(=O)c1ccc(F)cc1[O-] ZINC000773538000 585639972 /nfs/dbraw/zinc/63/99/72/585639972.db2.gz YUKVSSOMLONEAG-UHFFFAOYSA-N -1 3 230.260 2.051 20 0 BEADHM O=C(OCCOC1CCC1)c1cc2occc2[n-]1 ZINC000805541826 585675275 /nfs/dbraw/zinc/67/52/75/585675275.db2.gz WIVOQJWLQSIZBF-UHFFFAOYSA-N -1 3 249.266 2.487 20 0 BEADHM Cc1cc(NC(=O)[N-]OC2CCCC2)c(C)cn1 ZINC000775355689 585676444 /nfs/dbraw/zinc/67/64/44/585676444.db2.gz PJFOJBLOVSJSDD-UHFFFAOYSA-N -1 3 249.314 2.116 20 0 BEADHM Cc1n[n-]nc1C(=O)OCCCC(C)(C)C ZINC000805545103 585678249 /nfs/dbraw/zinc/67/82/49/585678249.db2.gz CUHOUMXAEBZTIV-UHFFFAOYSA-N -1 3 225.292 2.096 20 0 BEADHM CC(C)[C@]1(C)C[C@H]1C(=O)[N-]OCC(F)(F)F ZINC000775459782 585678263 /nfs/dbraw/zinc/67/82/63/585678263.db2.gz VVGWLCMZIPVYGU-CBAPKCEASA-N -1 3 239.237 2.279 20 0 BEADHM Cc1n[n-]nc1C(=O)OC[C@@H](C)c1ccccc1 ZINC000805546035 585678668 /nfs/dbraw/zinc/67/86/68/585678668.db2.gz CLLZEKKVNDDZDA-SECBINFHSA-N -1 3 245.282 2.074 20 0 BEADHM CC[C@@H](OC(=O)c1n[n-]nc1C)c1ccccc1 ZINC000805546364 585679124 /nfs/dbraw/zinc/67/91/24/585679124.db2.gz HJGOYAPHKNBSGO-LLVKDONJSA-N -1 3 245.282 2.421 20 0 BEADHM Cc1n[n-]nc1C(=O)O[C@@H](C)c1ccccc1 ZINC000805546930 585679407 /nfs/dbraw/zinc/67/94/07/585679407.db2.gz MNDJNCSQODRCQQ-VIFPVBQESA-N -1 3 231.255 2.031 20 0 BEADHM CC[C@@H](C(=O)[N-]OC1CCCC1)N(CC)CC ZINC000775598752 585681358 /nfs/dbraw/zinc/68/13/58/585681358.db2.gz OMZMXPLVBZMAAP-LBPRGKRZSA-N -1 3 242.363 2.097 20 0 BEADHM Cc1n[n-]nc1C(=O)OC[C@@H]1CCC[C@@H](C)C1 ZINC000805548111 585681540 /nfs/dbraw/zinc/68/15/40/585681540.db2.gz PTPZUPXEPNFUTC-PSASIEDQSA-N -1 3 237.303 2.096 20 0 BEADHM CC[C@H](C)OC(=O)c1nn[n-]c1-c1ccccc1 ZINC000805550817 585684763 /nfs/dbraw/zinc/68/47/63/585684763.db2.gz DRSCTQQGBUVYTC-VIFPVBQESA-N -1 3 245.282 2.427 20 0 BEADHM CC[C@H](C)OC(=O)c1[n-]nnc1-c1ccccc1 ZINC000805550817 585684764 /nfs/dbraw/zinc/68/47/64/585684764.db2.gz DRSCTQQGBUVYTC-VIFPVBQESA-N -1 3 245.282 2.427 20 0 BEADHM CC[C@H](C)OC(=O)c1n[n-]nc1-c1ccccc1 ZINC000805550817 585684765 /nfs/dbraw/zinc/68/47/65/585684765.db2.gz DRSCTQQGBUVYTC-VIFPVBQESA-N -1 3 245.282 2.427 20 0 BEADHM C/C=C/COC(=O)c1nn[n-]c1-c1ccccc1 ZINC000805552949 585686870 /nfs/dbraw/zinc/68/68/70/585686870.db2.gz FEEHWMNVUIIOCI-NSCUHMNNSA-N -1 3 243.266 2.205 20 0 BEADHM C/C=C/COC(=O)c1[n-]nnc1-c1ccccc1 ZINC000805552949 585686871 /nfs/dbraw/zinc/68/68/71/585686871.db2.gz FEEHWMNVUIIOCI-NSCUHMNNSA-N -1 3 243.266 2.205 20 0 BEADHM C/C=C/COC(=O)c1n[n-]nc1-c1ccccc1 ZINC000805552949 585686872 /nfs/dbraw/zinc/68/68/72/585686872.db2.gz FEEHWMNVUIIOCI-NSCUHMNNSA-N -1 3 243.266 2.205 20 0 BEADHM CC(=O)[C@H](C)OC(=O)c1cccc(Cl)c1[O-] ZINC000775933718 585687139 /nfs/dbraw/zinc/68/71/39/585687139.db2.gz JIKHOGILLIEXCK-ZETCQYMHSA-N -1 3 242.658 2.180 20 0 BEADHM O=C(CCc1cccnc1)[N-]OC1CCCCC1 ZINC000777960843 585724596 /nfs/dbraw/zinc/72/45/96/585724596.db2.gz JLNQIADYGHINJU-UHFFFAOYSA-N -1 3 248.326 2.395 20 0 BEADHM Cc1cccc([C@@H](C)OC(=O)c2cnn[n-]2)c1 ZINC000805605215 585731998 /nfs/dbraw/zinc/73/19/98/585731998.db2.gz WRGLERBFHYEXIJ-SECBINFHSA-N -1 3 231.255 2.031 20 0 BEADHM Cc1cccc([C@@H](C)OC(=O)c2c[n-]nn2)c1 ZINC000805605215 585731999 /nfs/dbraw/zinc/73/19/99/585731999.db2.gz WRGLERBFHYEXIJ-SECBINFHSA-N -1 3 231.255 2.031 20 0 BEADHM C/C=C\COC(=O)c1ccc([O-])c(C)c1 ZINC000778856354 585741625 /nfs/dbraw/zinc/74/16/25/585741625.db2.gz JZVHDJVSFMTPLE-ARJAWSKDSA-N -1 3 206.241 2.434 20 0 BEADHM Cc1cc(C(=O)OCC(F)F)ccc1[O-] ZINC000778852363 585741738 /nfs/dbraw/zinc/74/17/38/585741738.db2.gz CYQRJEXERSAUBU-UHFFFAOYSA-N -1 3 216.183 2.123 20 0 BEADHM CCC[C@@H](O)CC(=O)Nc1c(C)cccc1[O-] ZINC000778956651 585742543 /nfs/dbraw/zinc/74/25/43/585742543.db2.gz NWUIQPUGXBIPRV-SNVBAGLBSA-N -1 3 237.299 2.190 20 0 BEADHM CC1(C(=O)[N-]OC2CCCCC2)CCOCC1 ZINC000779321057 585750863 /nfs/dbraw/zinc/75/08/63/585750863.db2.gz UDVZRHIKAXWLOL-UHFFFAOYSA-N -1 3 241.331 2.184 20 0 BEADHM O=C(NOC1CCCCC1)c1cccc([O-])c1 ZINC000779323725 585751364 /nfs/dbraw/zinc/75/13/64/585751364.db2.gz VAGLWPIXRPPIIQ-UHFFFAOYSA-N -1 3 235.283 2.386 20 0 BEADHM Cc1cc(NC(=O)[N-]OC2CCCCC2)ccn1 ZINC000779444153 585755127 /nfs/dbraw/zinc/75/51/27/585755127.db2.gz DAWVDAWOUIRNDR-UHFFFAOYSA-N -1 3 249.314 2.198 20 0 BEADHM CC[C@@H](CO)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000779650474 585758277 /nfs/dbraw/zinc/75/82/77/585758277.db2.gz AHILEUOMNQUYSD-ZETCQYMHSA-N -1 3 243.690 2.003 20 0 BEADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc[nH]1 ZINC000780997436 585788466 /nfs/dbraw/zinc/78/84/66/585788466.db2.gz DKLASFSUZHQBMG-SECBINFHSA-N -1 3 230.267 2.211 20 0 BEADHM CC(=O)[N-]OCCc1ccc2ccccc2c1 ZINC000783554435 585836549 /nfs/dbraw/zinc/83/65/49/585836549.db2.gz CCBXAMFKMNFJTM-UHFFFAOYSA-N -1 3 229.279 2.450 20 0 BEADHM CC(C)[C@H](F)C(=O)Nc1cccc([O-])c1F ZINC000784455730 585860399 /nfs/dbraw/zinc/86/03/99/585860399.db2.gz JIJIUMAHTKHGJS-VIFPVBQESA-N -1 3 229.226 2.464 20 0 BEADHM CC(C)OCCCC(=O)[N-]OC1CCCC1 ZINC000784692324 585865536 /nfs/dbraw/zinc/86/55/36/585865536.db2.gz SBYPEOOMNLLNAW-UHFFFAOYSA-N -1 3 229.320 2.182 20 0 BEADHM COc1ccc(NC(=O)[C@H]2CCC=CO2)c([O-])c1 ZINC000785426799 585873432 /nfs/dbraw/zinc/87/34/32/585873432.db2.gz KKXRHTUKHGKJOO-GFCCVEGCSA-N -1 3 249.266 2.032 20 0 BEADHM O=C(OC[C@H]1CCCOC1)c1cc2occc2[n-]1 ZINC000786030339 585885833 /nfs/dbraw/zinc/88/58/33/585885833.db2.gz XWFCIXMDODVPJY-VIFPVBQESA-N -1 3 249.266 2.344 20 0 BEADHM COCCCOC(=O)c1c(C)[n-]nc1C(C)C ZINC000786339454 585889854 /nfs/dbraw/zinc/88/98/54/585889854.db2.gz IRIVWKQFHHQOMH-UHFFFAOYSA-N -1 3 240.303 2.035 20 0 BEADHM COCCCOC(=O)c1c(C)n[n-]c1C(C)C ZINC000786339454 585889855 /nfs/dbraw/zinc/88/98/55/585889855.db2.gz IRIVWKQFHHQOMH-UHFFFAOYSA-N -1 3 240.303 2.035 20 0 BEADHM CC(C)(CC(F)(F)F)[N-]C(=O)C(F)F ZINC000787561813 585911832 /nfs/dbraw/zinc/91/18/32/585911832.db2.gz LQTHYGAFKBXDQU-UHFFFAOYSA-N -1 3 219.153 2.099 20 0 BEADHM O=C(OCc1ccc(F)cn1)c1ccc([O-])cc1 ZINC000787567754 585911988 /nfs/dbraw/zinc/91/19/88/585911988.db2.gz LSEBZPHUWWXBGU-UHFFFAOYSA-N -1 3 247.225 2.283 20 0 BEADHM CON(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000788262102 585920054 /nfs/dbraw/zinc/92/00/54/585920054.db2.gz TUIBQEDDXPIRDJ-UHFFFAOYSA-N -1 3 237.280 2.240 20 0 BEADHM C[C@H]1CC[C@H](COC(=O)c2ccc([O-])cc2)O1 ZINC000789000169 585933116 /nfs/dbraw/zinc/93/31/16/585933116.db2.gz IGTJOGOMZXKEBV-JOYOIKCWSA-N -1 3 236.267 2.117 20 0 BEADHM CCO[N-]C(=O)Cc1ccc(Cl)c(F)c1 ZINC000790486527 585965424 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/nfs/dbraw/zinc/05/12/68/586051268.db2.gz VPHJXXLOPOXAKX-VIFPVBQESA-N -1 3 219.350 2.224 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)Cc1cccc(F)c1 ZINC000794870574 586052555 /nfs/dbraw/zinc/05/25/55/586052555.db2.gz OIPRNMYAARMIIH-JTQLQIEISA-N -1 3 239.290 2.462 20 0 BEADHM COc1cccc2cc(C[N-]c3nnco3)oc21 ZINC000795798115 586092448 /nfs/dbraw/zinc/09/24/48/586092448.db2.gz ZGEQMZNMERTLDA-UHFFFAOYSA-N -1 3 245.238 2.437 20 0 BEADHM CCCCCC(C)(C)C(=O)[N-]OCC(C)(C)O ZINC000798128772 586137722 /nfs/dbraw/zinc/13/77/22/586137722.db2.gz DHLMMJCCZNVXSK-UHFFFAOYSA-N -1 3 245.363 2.412 20 0 BEADHM COCCCCOC(=O)c1c([O-])cccc1F ZINC000803440451 586355956 /nfs/dbraw/zinc/35/59/56/586355956.db2.gz LKCAGZSPYRSHMN-UHFFFAOYSA-N -1 3 242.246 2.115 20 0 BEADHM CCn1cnnc1[N-]C(=O)C(F)=C1CCCC1 ZINC000803530720 586364696 /nfs/dbraw/zinc/36/46/96/586364696.db2.gz ULNDJCQSMVUDRG-UHFFFAOYSA-N -1 3 238.266 2.034 20 0 BEADHM C[C@](O)(c1nc(-c2ccc([O-])cc2)no1)C1CC1 ZINC000804606857 586402653 /nfs/dbraw/zinc/40/26/53/586402653.db2.gz CFBFLLHPTSDWCG-CYBMUJFWSA-N -1 3 246.266 2.060 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2ccc(F)nc2)n1 ZINC000806574227 586414627 /nfs/dbraw/zinc/41/46/27/586414627.db2.gz IFFKOORHXLWVAM-HYXAFXHYSA-N -1 3 231.230 2.195 20 0 BEADHM CCOCCO[N-]C(=O)CC1(C)CCCC1 ZINC000808419313 586471684 /nfs/dbraw/zinc/47/16/84/586471684.db2.gz QATDVBZJSINUBC-UHFFFAOYSA-N -1 3 229.320 2.041 20 0 BEADHM COc1ccc(F)cc1C[N-]C(=O)C(C)(F)F ZINC000808466605 586474644 /nfs/dbraw/zinc/47/46/44/586474644.db2.gz HRXWMEJDGGGQAR-UHFFFAOYSA-N -1 3 247.216 2.106 20 0 BEADHM CC[C@H](CC(F)(F)F)[N-]C(=O)C(C)(F)F ZINC000808467358 586475033 /nfs/dbraw/zinc/47/50/33/586475033.db2.gz ZKTHMMCUILZWPY-RXMQYKEDSA-N -1 3 233.180 2.489 20 0 BEADHM CCc1cc(NC([O-])=NOC/C=C/Cl)no1 ZINC000810187634 586536514 /nfs/dbraw/zinc/53/65/14/586536514.db2.gz AOTGGFTXTUWGEC-ONEGZZNKSA-N -1 3 245.666 2.043 20 0 BEADHM CCc1cc(NC(=O)[N-]OC/C=C/Cl)no1 ZINC000810187634 586536516 /nfs/dbraw/zinc/53/65/16/586536516.db2.gz AOTGGFTXTUWGEC-ONEGZZNKSA-N -1 3 245.666 2.043 20 0 BEADHM [O-]C(=NOC/C=C\Cl)Nc1ccc(F)cn1 ZINC000810204242 586536811 /nfs/dbraw/zinc/53/68/11/586536811.db2.gz MRXPCINUVHFRNZ-RJRFIUFISA-N -1 3 245.641 2.026 20 0 BEADHM O=C([N-]OC/C=C\Cl)Nc1ccc(F)cn1 ZINC000810204242 586536812 /nfs/dbraw/zinc/53/68/12/586536812.db2.gz MRXPCINUVHFRNZ-RJRFIUFISA-N -1 3 245.641 2.026 20 0 BEADHM Cc1cccc(NC([O-])=NOC/C=C/Cl)n1 ZINC000810204218 586537053 /nfs/dbraw/zinc/53/70/53/586537053.db2.gz MDHAURGDVQRWGP-ZZXKWVIFSA-N -1 3 241.678 2.196 20 0 BEADHM Cc1cccc(NC(=O)[N-]OC/C=C/Cl)n1 ZINC000810204218 586537054 /nfs/dbraw/zinc/53/70/54/586537054.db2.gz MDHAURGDVQRWGP-ZZXKWVIFSA-N -1 3 241.678 2.196 20 0 BEADHM CCO[N-]C(=O)Nc1ccnc(Cl)c1C ZINC000810295702 586537993 /nfs/dbraw/zinc/53/79/93/586537993.db2.gz BPFBHDUMBVUGGB-UHFFFAOYSA-N -1 3 229.667 2.116 20 0 BEADHM C/C=C\COC(=O)c1c[n-]nc1-c1ccccn1 ZINC000810546165 586541105 /nfs/dbraw/zinc/54/11/05/586541105.db2.gz QPVQJRMTANFMHH-IHWYPQMZSA-N -1 3 243.266 2.205 20 0 BEADHM CCc1cc(C(=O)O[C@@H](C)COC)ccc1[O-] ZINC000811305409 586557919 /nfs/dbraw/zinc/55/79/19/586557919.db2.gz ROQSCDJRWXBBKJ-VIFPVBQESA-N -1 3 238.283 2.146 20 0 BEADHM CCc1cc(C(=O)OCc2ccno2)ccc1[O-] ZINC000811304858 586557941 /nfs/dbraw/zinc/55/79/41/586557941.db2.gz BEZQYOQOJGONGS-UHFFFAOYSA-N -1 3 247.250 2.300 20 0 BEADHM O=C(Cc1ccccc1F)[N-]OC/C=C\Cl ZINC000812399942 586575644 /nfs/dbraw/zinc/57/56/44/586575644.db2.gz CERHIYVSZVIGLL-UTCJRWHESA-N -1 3 243.665 2.169 20 0 BEADHM O=C([N-]OC/C=C\Cl)C12CCC(CC1)C2 ZINC000812404450 586575826 /nfs/dbraw/zinc/57/58/26/586575826.db2.gz DKNWCSDZZQAPEQ-BHQIHCQQSA-N -1 3 229.707 2.367 20 0 BEADHM Cc1cccc(C(=O)NOC/C=C\Cl)c1[O-] ZINC000812404690 586576244 /nfs/dbraw/zinc/57/62/44/586576244.db2.gz IXWDOYRAFIQYED-UTCJRWHESA-N -1 3 241.674 2.115 20 0 BEADHM O=C([N-]OC/C=C/Cl)[C@@H]1CC12CCCC2 ZINC000812404854 586576287 /nfs/dbraw/zinc/57/62/87/586576287.db2.gz KVLGLWBXYZRKFH-SWTNXBIASA-N -1 3 229.707 2.367 20 0 BEADHM C[C@@H](CC(=O)[N-]OC/C=C\Cl)n1cccc1 ZINC000812409309 586576584 /nfs/dbraw/zinc/57/65/84/586576584.db2.gz PJHUXPCZWQAXIT-LWTINBJPSA-N -1 3 242.706 2.240 20 0 BEADHM O=C([N-]OC1CCC1)C(C1CC1)C1CC1 ZINC000812790085 586584766 /nfs/dbraw/zinc/58/47/66/586584766.db2.gz SNDHUQXVOGUEGH-UHFFFAOYSA-N -1 3 209.289 2.023 20 0 BEADHM Cc1cccc(CC(=O)[N-]OC2CCC2)c1 ZINC000812791403 586585219 /nfs/dbraw/zinc/58/52/19/586585219.db2.gz NTKVDQDVSFZOIR-UHFFFAOYSA-N -1 3 219.284 2.138 20 0 BEADHM O=C(CCc1ccc(F)cc1)[N-]OC1CCC1 ZINC000812792066 586585338 /nfs/dbraw/zinc/58/53/38/586585338.db2.gz KADONSWWIJWTBH-UHFFFAOYSA-N -1 3 237.274 2.359 20 0 BEADHM O=C([N-]OC1CCC1)c1c(F)cc(F)cc1F ZINC000812795096 586585783 /nfs/dbraw/zinc/58/57/83/586585783.db2.gz LEYPFVIANGINCN-UHFFFAOYSA-N -1 3 245.200 2.318 20 0 BEADHM O=C(CCc1ccccc1F)[N-]OC1CCC1 ZINC000812793664 586585988 /nfs/dbraw/zinc/58/59/88/586585988.db2.gz YYFFOCZOBRRUHF-UHFFFAOYSA-N -1 3 237.274 2.359 20 0 BEADHM CC(C)OCCO[N-]C(=O)C[C@@H]1CCC[C@@H]1C ZINC000812807209 586586889 /nfs/dbraw/zinc/58/68/89/586586889.db2.gz FRYZBAMEGNFBPC-RYUDHWBXSA-N -1 3 243.347 2.286 20 0 BEADHM CC[C@H](C)COC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000814531689 586623987 /nfs/dbraw/zinc/62/39/87/586623987.db2.gz VBWYAEOQNZDWOD-QMMMGPOBSA-N -1 3 239.271 2.004 20 0 BEADHM C[C@H]1CC[C@@H](OC(=O)c2cccc3nn[n-]c32)C1 ZINC000815236100 586675231 /nfs/dbraw/zinc/67/52/31/586675231.db2.gz PBXXXLDTPIXOED-DTWKUNHWSA-N -1 3 245.282 2.303 20 0 BEADHM C[C@H]1CC[C@@H](OC(=O)c2cccc3[n-]nnc32)C1 ZINC000815236100 586675232 /nfs/dbraw/zinc/67/52/32/586675232.db2.gz PBXXXLDTPIXOED-DTWKUNHWSA-N -1 3 245.282 2.303 20 0 BEADHM C[C@H]1CC[C@@H](OC(=O)c2cccc3n[n-]nc32)C1 ZINC000815236100 586675233 /nfs/dbraw/zinc/67/52/33/586675233.db2.gz PBXXXLDTPIXOED-DTWKUNHWSA-N -1 3 245.282 2.303 20 0 BEADHM CCCCCCNC(=O)Cc1cncc([O-])c1 ZINC000816839549 586767889 /nfs/dbraw/zinc/76/78/89/586767889.db2.gz IWGABWNZUCNRTP-UHFFFAOYSA-N -1 3 236.315 2.026 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)C(C)(C)CCOC ZINC000816979327 586777568 /nfs/dbraw/zinc/77/75/68/586777568.db2.gz MPTOEVXMNZBKCZ-JTQLQIEISA-N -1 3 231.336 2.143 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)CC(C)(C)CC(C)=O ZINC000816980486 586778121 /nfs/dbraw/zinc/77/81/21/586778121.db2.gz MFZVUCJYNRUQDM-SNVBAGLBSA-N -1 3 243.347 2.476 20 0 BEADHM CO/C(=C/c1ccccc1)C(=O)[N-]OCC1CC1 ZINC000817344791 586797921 /nfs/dbraw/zinc/79/79/21/586797921.db2.gz UQAQPSJQJXBMEY-UKTHLTGXSA-N -1 3 247.294 2.132 20 0 BEADHM CC(C)(C)OCCCC(=O)[N-]OCC1CC1 ZINC000817354008 586798394 /nfs/dbraw/zinc/79/83/94/586798394.db2.gz FXVJYRBCPKCYNF-UHFFFAOYSA-N -1 3 229.320 2.040 20 0 BEADHM CCCC(O)(CCC)CC(=O)[N-]OCC1CC1 ZINC000817363243 586798784 /nfs/dbraw/zinc/79/87/84/586798784.db2.gz YLYSHRRXSFLFAA-UHFFFAOYSA-N -1 3 243.347 2.166 20 0 BEADHM Cc1ccc(C(=O)NOCCC2CC2)c([O-])c1 ZINC000817379099 586799373 /nfs/dbraw/zinc/79/93/73/586799373.db2.gz IDLXMIFGHAFMBL-UHFFFAOYSA-N -1 3 235.283 2.162 20 0 BEADHM CCc1cccc(C(=O)NOCCC2CC2)c1[O-] ZINC000817429992 586805009 /nfs/dbraw/zinc/80/50/09/586805009.db2.gz PWUXQMVHRGNGLK-UHFFFAOYSA-N -1 3 249.310 2.416 20 0 BEADHM CCO[C@@H](CC(=O)[N-]OCCC1CC1)C(C)C ZINC000817446642 586806562 /nfs/dbraw/zinc/80/65/62/586806562.db2.gz SDPIYWDSKJRUBW-LBPRGKRZSA-N -1 3 243.347 2.286 20 0 BEADHM O=C(CCC1CCC1)[N-]OCCC1CC1 ZINC000817446553 586806740 /nfs/dbraw/zinc/80/67/40/586806740.db2.gz QQYRUFGACAJICO-UHFFFAOYSA-N -1 3 211.305 2.415 20 0 BEADHM O=C([N-]OCc1ccc(F)cc1)[C@H]1CC12CC2 ZINC000817587986 586813272 /nfs/dbraw/zinc/81/32/72/586813272.db2.gz KZVWKSBENZDXPP-LLVKDONJSA-N -1 3 235.258 2.174 20 0 BEADHM CCC(CC)CNC(=O)c1ccc(N)cc1[O-] ZINC000817910495 586837997 /nfs/dbraw/zinc/83/79/97/586837997.db2.gz UJRPPUNRMIXQJG-UHFFFAOYSA-N -1 3 236.315 2.140 20 0 BEADHM CC[C@@H]1CCCN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000817920751 586840167 /nfs/dbraw/zinc/84/01/67/586840167.db2.gz VTQHXKXXRDKKKS-SNVBAGLBSA-N -1 3 248.326 2.237 20 0 BEADHM CN(CC1CCCC1)C(=O)c1ccc(N)cc1[O-] ZINC000817928881 586842657 /nfs/dbraw/zinc/84/26/57/586842657.db2.gz HDYPKUVEZKKMRS-UHFFFAOYSA-N -1 3 248.326 2.237 20 0 BEADHM CCCC1(CNC(=O)c2ccc(N)cc2[O-])CC1 ZINC000817959929 586851670 /nfs/dbraw/zinc/85/16/70/586851670.db2.gz HUEQJXILUPSPLH-UHFFFAOYSA-N -1 3 248.326 2.285 20 0 BEADHM C[C@@H](NCCCC(=O)[O-])c1cccnc1Cl ZINC000818054066 586867245 /nfs/dbraw/zinc/86/72/45/586867245.db2.gz WWVDUEHPPNRPDE-MRVPVSSYSA-N -1 3 242.706 2.250 20 0 BEADHM CC[C@H](NCCC(=O)[O-])c1ccc(F)cc1F ZINC000818143692 586877174 /nfs/dbraw/zinc/87/71/74/586877174.db2.gz MELSQKNEYZXFBJ-NSHDSACASA-N -1 3 243.253 2.480 20 0 BEADHM CC(C)C[C@@H](CNCc1ccoc1)C(=O)[O-] ZINC000818630463 586908291 /nfs/dbraw/zinc/90/82/91/586908291.db2.gz IRSVUIUPAOXXAP-NSHDSACASA-N -1 3 225.288 2.116 20 0 BEADHM CSc1ccc(F)cc1CN[C@H](C)C(=O)[O-] ZINC000818661253 586908444 /nfs/dbraw/zinc/90/84/44/586908444.db2.gz UDJUUBXCXCGUGB-SSDOTTSWSA-N -1 3 243.303 2.110 20 0 BEADHM O=C(/C=C\[C@@H]1CCCO1)Nc1ccccc1[O-] ZINC000819144054 586933280 /nfs/dbraw/zinc/93/32/80/586933280.db2.gz UIRZGAMHNGKKKT-DMEOUFDRSA-N -1 3 233.267 2.066 20 0 BEADHM O=C([N-][C@H]1C[C@]1(F)c1ccccc1)C(F)F ZINC000819627686 586981879 /nfs/dbraw/zinc/98/18/79/586981879.db2.gz BBEGNMUXCZETHH-KWQFWETISA-N -1 3 229.201 2.005 20 0 BEADHM CC[C@H](C)CC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819779929 586994304 /nfs/dbraw/zinc/99/43/04/586994304.db2.gz BJTPZAVSZLKBFO-YUMQZZPRSA-N -1 3 214.334 2.030 20 0 BEADHM CC(C)Oc1ccccc1[C@H](C)NCC(=O)[O-] ZINC000820036688 587014741 /nfs/dbraw/zinc/01/47/41/587014741.db2.gz LZAILPKNCAPYNQ-JTQLQIEISA-N -1 3 237.299 2.209 20 0 BEADHM CC(C)Oc1ccccc1[C@@H](C)NCC(=O)[O-] ZINC000820036689 587014767 /nfs/dbraw/zinc/01/47/67/587014767.db2.gz LZAILPKNCAPYNQ-SNVBAGLBSA-N -1 3 237.299 2.209 20 0 BEADHM C[C@H](CC(=O)[O-])N[C@@H]1CSc2ccccc21 ZINC000820079679 587019100 /nfs/dbraw/zinc/01/91/00/587019100.db2.gz TXCGZQPQKJHDRA-PSASIEDQSA-N -1 3 237.324 2.286 20 0 BEADHM CC[C@@H](N[C@H](C)CC(=O)[O-])c1c(C)noc1C ZINC000820285322 587040833 /nfs/dbraw/zinc/04/08/33/587040833.db2.gz ZDLVMTBRWXNAJY-GMSGAONNSA-N -1 3 240.303 2.195 20 0 BEADHM CCC[C@@H](N[C@H](C)CC(=O)[O-])c1ccccn1 ZINC000820303485 587042724 /nfs/dbraw/zinc/04/27/24/587042724.db2.gz FMMZFHBEAXZANP-ZYHUDNBSSA-N -1 3 236.315 2.376 20 0 BEADHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)C1CC1 ZINC000820455691 587050172 /nfs/dbraw/zinc/05/01/72/587050172.db2.gz LQFSLDALRJNCNP-ZETCQYMHSA-N -1 3 247.277 2.216 20 0 BEADHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)C1CC1 ZINC000820455691 587050173 /nfs/dbraw/zinc/05/01/73/587050173.db2.gz LQFSLDALRJNCNP-ZETCQYMHSA-N -1 3 247.277 2.216 20 0 BEADHM CC[C@H](C)[C@H](NC/C(Cl)=C\Cl)C(=O)[O-] ZINC000820465678 587050417 /nfs/dbraw/zinc/05/04/17/587050417.db2.gz PMHHGXUEMRXLPZ-OERSAZSNSA-N -1 3 240.130 2.394 20 0 BEADHM CCO[N-]C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC000820523373 587052464 /nfs/dbraw/zinc/05/24/64/587052464.db2.gz JCFPAWMMISAECF-QWHCGFSZSA-N -1 3 233.311 2.475 20 0 BEADHM C[C@H]1C[C@H]1Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820678811 587065975 /nfs/dbraw/zinc/06/59/75/587065975.db2.gz YPFLCMDCVFGIRP-IMTBSYHQSA-N -1 3 249.705 2.340 20 0 BEADHM C[C@H]1C[C@H]1Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820678811 587065977 /nfs/dbraw/zinc/06/59/77/587065977.db2.gz YPFLCMDCVFGIRP-IMTBSYHQSA-N -1 3 249.705 2.340 20 0 BEADHM CC[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820876683 587079265 /nfs/dbraw/zinc/07/92/65/587079265.db2.gz RVWWRPXWFVTTCK-SSDOTTSWSA-N -1 3 235.266 2.216 20 0 BEADHM CC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820876683 587079267 /nfs/dbraw/zinc/07/92/67/587079267.db2.gz RVWWRPXWFVTTCK-SSDOTTSWSA-N -1 3 235.266 2.216 20 0 BEADHM CCC1(CNc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820961862 587084490 /nfs/dbraw/zinc/08/44/90/587084490.db2.gz DJKCVZDVAZTHSH-UHFFFAOYSA-N -1 3 243.314 2.469 20 0 BEADHM CCC1(CNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820961862 587084493 /nfs/dbraw/zinc/08/44/93/587084493.db2.gz DJKCVZDVAZTHSH-UHFFFAOYSA-N -1 3 243.314 2.469 20 0 BEADHM CCC[C@H](CC)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000821014023 587088644 /nfs/dbraw/zinc/08/86/44/587088644.db2.gz ASNMTDCMALGZNP-VIFPVBQESA-N -1 3 246.318 2.252 20 0 BEADHM CCC[C@H](CC)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000821014023 587088645 /nfs/dbraw/zinc/08/86/45/587088645.db2.gz ASNMTDCMALGZNP-VIFPVBQESA-N -1 3 246.318 2.252 20 0 BEADHM CCC[C@@H]1C[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821040746 587090491 /nfs/dbraw/zinc/09/04/91/587090491.db2.gz QTNOFVDSHYOYNE-PWSUYJOCSA-N -1 3 243.314 2.467 20 0 BEADHM CCC[C@@H]1C[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821040746 587090493 /nfs/dbraw/zinc/09/04/93/587090493.db2.gz QTNOFVDSHYOYNE-PWSUYJOCSA-N -1 3 243.314 2.467 20 0 BEADHM CCCCNc1cccc(-c2nnn[n-]2)c1C ZINC000821072467 587093277 /nfs/dbraw/zinc/09/32/77/587093277.db2.gz SOQLNOWNCAYKPW-UHFFFAOYSA-N -1 3 231.303 2.387 20 0 BEADHM CCCCNc1cccc(-c2nn[n-]n2)c1C ZINC000821072467 587093279 /nfs/dbraw/zinc/09/32/79/587093279.db2.gz SOQLNOWNCAYKPW-UHFFFAOYSA-N -1 3 231.303 2.387 20 0 BEADHM O=C([O-])CCN[C@H]1CCc2c1c(F)ccc2F ZINC000821524877 587125735 /nfs/dbraw/zinc/12/57/35/587125735.db2.gz ITRWIQIMZPHHBE-JTQLQIEISA-N -1 3 241.237 2.016 20 0 BEADHM CCCCC1(C(=O)[N-]O[C@@H](CO)C(C)C)CC1 ZINC000821741806 587136518 /nfs/dbraw/zinc/13/65/18/587136518.db2.gz SXGFYSHXWBQZHR-NSHDSACASA-N -1 3 243.347 2.022 20 0 BEADHM Cc1cc(-c2nnn[n-]2)cc(C)c1OCC1CC1 ZINC000822128631 587155200 /nfs/dbraw/zinc/15/52/00/587155200.db2.gz FCOSSIVYFUFNFM-UHFFFAOYSA-N -1 3 244.298 2.272 20 0 BEADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC1CC1 ZINC000822128631 587155201 /nfs/dbraw/zinc/15/52/01/587155201.db2.gz FCOSSIVYFUFNFM-UHFFFAOYSA-N -1 3 244.298 2.272 20 0 BEADHM CC1(CCC(=O)[N-]OCc2ccccn2)CC1 ZINC000822190229 587158093 /nfs/dbraw/zinc/15/80/93/587158093.db2.gz AOBMHSULMATDQD-UHFFFAOYSA-N -1 3 234.299 2.210 20 0 BEADHM CC[C@H]1CCC[C@@H]1C(=O)[N-]C1=NCCS1 ZINC000822234392 587159078 /nfs/dbraw/zinc/15/90/78/587159078.db2.gz RNZOIPGZCGQFJB-IUCAKERBSA-N -1 3 226.345 2.032 20 0 BEADHM O=C(C[C@H]1CC=CCC1)[N-]OCc1ccccn1 ZINC000822242927 587159610 /nfs/dbraw/zinc/15/96/10/587159610.db2.gz CVAQUMHDOJTHGJ-LBPRGKRZSA-N -1 3 246.310 2.376 20 0 BEADHM FCCCSc1ccc(-c2nnn[n-]2)cc1 ZINC000822736742 587183308 /nfs/dbraw/zinc/18/33/08/587183308.db2.gz JPRMGWFWOXDFJL-UHFFFAOYSA-N -1 3 238.291 2.318 20 0 BEADHM FCCCSc1ccc(-c2nn[n-]n2)cc1 ZINC000822736742 587183310 /nfs/dbraw/zinc/18/33/10/587183310.db2.gz JPRMGWFWOXDFJL-UHFFFAOYSA-N -1 3 238.291 2.318 20 0 BEADHM Fc1ccc(NC2CC=CC2)c(-c2nnn[n-]2)c1 ZINC000822778023 587185469 /nfs/dbraw/zinc/18/54/69/587185469.db2.gz ARLBXBJAMOBGOW-UHFFFAOYSA-N -1 3 245.261 2.136 20 0 BEADHM Fc1ccc(NC2CC=CC2)c(-c2nn[n-]n2)c1 ZINC000822778023 587185471 /nfs/dbraw/zinc/18/54/71/587185471.db2.gz ARLBXBJAMOBGOW-UHFFFAOYSA-N -1 3 245.261 2.136 20 0 BEADHM CCc1n[n-]c(Cl)c1C(=O)OCC1CC1 ZINC000860223411 589090201 /nfs/dbraw/zinc/09/02/01/589090201.db2.gz RJMPJPPYINMZEW-UHFFFAOYSA-N -1 3 228.679 2.192 20 0 BEADHM CCc1[n-]nc(Cl)c1C(=O)OCC1CC1 ZINC000860223411 589090203 /nfs/dbraw/zinc/09/02/03/589090203.db2.gz RJMPJPPYINMZEW-UHFFFAOYSA-N -1 3 228.679 2.192 20 0 BEADHM CCCO[N-]C(=O)C[C@H]1CCCC1(F)F ZINC000823609464 587232695 /nfs/dbraw/zinc/23/26/95/587232695.db2.gz YQHKDQRNUYTZFJ-MRVPVSSYSA-N -1 3 221.247 2.270 20 0 BEADHM c1cc(-c2nnn[n-]2)ccc1OCC1CCC1 ZINC000823743021 587239135 /nfs/dbraw/zinc/23/91/35/587239135.db2.gz QVTVJLSYVFDTBV-UHFFFAOYSA-N -1 3 230.271 2.046 20 0 BEADHM c1cc(-c2nn[n-]n2)ccc1OCC1CCC1 ZINC000823743021 587239136 /nfs/dbraw/zinc/23/91/36/587239136.db2.gz QVTVJLSYVFDTBV-UHFFFAOYSA-N -1 3 230.271 2.046 20 0 BEADHM CCC[C@H](CC)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000823806766 587240852 /nfs/dbraw/zinc/24/08/52/587240852.db2.gz IIDPQYSQDMHHLH-IUCAKERBSA-N -1 3 228.361 2.420 20 0 BEADHM CC(C)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000824357672 587267149 /nfs/dbraw/zinc/26/71/49/587267149.db2.gz SJGAHJNEDBDAOL-UHFFFAOYSA-N -1 3 240.347 2.249 20 0 BEADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC000824648671 587280598 /nfs/dbraw/zinc/28/05/98/587280598.db2.gz IEZXIXXTUYSCCS-VIFPVBQESA-N -1 3 243.314 2.467 20 0 BEADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000824648671 587280599 /nfs/dbraw/zinc/28/05/99/587280599.db2.gz IEZXIXXTUYSCCS-VIFPVBQESA-N -1 3 243.314 2.467 20 0 BEADHM C[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824915548 587293351 /nfs/dbraw/zinc/29/33/51/587293351.db2.gz GGCYEYNCTAEUAD-CABZTGNLSA-N -1 3 243.314 2.467 20 0 BEADHM C[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824915548 587293353 /nfs/dbraw/zinc/29/33/53/587293353.db2.gz GGCYEYNCTAEUAD-CABZTGNLSA-N -1 3 243.314 2.467 20 0 BEADHM Cc1cccn2c(NC([O-])=NOC(C)C)cnc12 ZINC000825469298 587320336 /nfs/dbraw/zinc/32/03/36/587320336.db2.gz WBFILKBGBICLQO-UHFFFAOYSA-N -1 3 248.286 2.104 20 0 BEADHM Cc1cccn2c(NC(=O)[N-]OC(C)C)cnc12 ZINC000825469298 587320338 /nfs/dbraw/zinc/32/03/38/587320338.db2.gz WBFILKBGBICLQO-UHFFFAOYSA-N -1 3 248.286 2.104 20 0 BEADHM CCNc1ccc(-c2nnn[n-]2)cc1NC(C)C ZINC000825476931 587320567 /nfs/dbraw/zinc/32/05/67/587320567.db2.gz YYKGGTKYDRFOMM-UHFFFAOYSA-N -1 3 246.318 2.119 20 0 BEADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(C)C ZINC000825476931 587320568 /nfs/dbraw/zinc/32/05/68/587320568.db2.gz YYKGGTKYDRFOMM-UHFFFAOYSA-N -1 3 246.318 2.119 20 0 BEADHM C[C@H](NCCN(C)C(=O)[O-])c1ccsc1 ZINC000825496189 587321594 /nfs/dbraw/zinc/32/15/94/587321594.db2.gz NGZABZQWMBADOB-QMMMGPOBSA-N -1 3 228.317 2.009 20 0 BEADHM CCSCc1cccc(-c2nnn[n-]2)c1F ZINC000825673844 587330789 /nfs/dbraw/zinc/33/07/89/587330789.db2.gz DPZVTBSJOUFZFD-UHFFFAOYSA-N -1 3 238.291 2.259 20 0 BEADHM CCSCc1cccc(-c2nn[n-]n2)c1F ZINC000825673844 587330791 /nfs/dbraw/zinc/33/07/91/587330791.db2.gz DPZVTBSJOUFZFD-UHFFFAOYSA-N -1 3 238.291 2.259 20 0 BEADHM C/C(=C/CN(C)[C@@H](C)c1cccc(O)c1)C(=O)[O-] ZINC000825729693 587333908 /nfs/dbraw/zinc/33/39/08/587333908.db2.gz KUJREZMTZQPUTB-BRNRAETOSA-N -1 3 249.310 2.416 20 0 BEADHM C/C(=C/CN1CC[C@@H](c2ccco2)C1)C(=O)[O-] ZINC000825736195 587335855 /nfs/dbraw/zinc/33/58/55/587335855.db2.gz WDGQJJDZAAGCTC-NEOSZVFXSA-N -1 3 235.283 2.100 20 0 BEADHM C/C(=C/CN1CCC[C@@H]1c1ccc[nH]1)C(=O)[O-] ZINC000825742013 587335868 /nfs/dbraw/zinc/33/58/68/587335868.db2.gz VCMXFJAOBFCJTG-XTOZHPGHSA-N -1 3 234.299 2.183 20 0 BEADHM C/C(=C\CN1CC[C@H]1c1ccccc1)C(=O)[O-] ZINC000825736457 587335924 /nfs/dbraw/zinc/33/59/24/587335924.db2.gz ZJNZZWDUMMEUNA-HJTPGIPUSA-N -1 3 231.295 2.464 20 0 BEADHM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1Cc1ccccc1 ZINC000825843492 587340953 /nfs/dbraw/zinc/34/09/53/587340953.db2.gz AHFVFEQPSWLWSQ-YPMHNXCESA-N -1 3 248.326 2.307 20 0 BEADHM C[C@H]1C[C@@H]1NCc1cccc2c1N(C(=O)[O-])CC2 ZINC000825861204 587342247 /nfs/dbraw/zinc/34/22/47/587342247.db2.gz QFYZIBIJJFZDBJ-CABZTGNLSA-N -1 3 246.310 2.225 20 0 BEADHM Cc1ccnc(NCCC(C)C)c1-c1nnn[n-]1 ZINC000826313728 587351942 /nfs/dbraw/zinc/35/19/42/587351942.db2.gz RGMZPYQUOBSJJE-UHFFFAOYSA-N -1 3 246.318 2.028 20 0 BEADHM Cc1ccnc(NCCC(C)C)c1-c1nn[n-]n1 ZINC000826313728 587351943 /nfs/dbraw/zinc/35/19/43/587351943.db2.gz RGMZPYQUOBSJJE-UHFFFAOYSA-N -1 3 246.318 2.028 20 0 BEADHM CC[C@@H](NC1CN(C(=O)[O-])C1)c1cccs1 ZINC000826620077 587356666 /nfs/dbraw/zinc/35/66/66/587356666.db2.gz PBTWDLRNCVRYJT-SECBINFHSA-N -1 3 240.328 2.151 20 0 BEADHM CC(C(=O)[N-]OCc1cccnc1)=C1CCC1 ZINC000827501239 587384039 /nfs/dbraw/zinc/38/40/39/587384039.db2.gz LMHJMPSCRLOFJS-UHFFFAOYSA-N -1 3 232.283 2.130 20 0 BEADHM CCc1ccc([C@@H](C)NCCNC(=O)[O-])s1 ZINC000827577719 587390001 /nfs/dbraw/zinc/39/00/01/587390001.db2.gz QOIPWRQKZXLQHV-MRVPVSSYSA-N -1 3 242.344 2.229 20 0 BEADHM CC[C@](C)(CC(=O)[O-])NCc1csc(C)n1 ZINC000828671136 587456367 /nfs/dbraw/zinc/45/63/67/587456367.db2.gz ANWPRXCXQQLUDS-LLVKDONJSA-N -1 3 242.344 2.185 20 0 BEADHM CC[C@](C)(CC(=O)[O-])NCc1occc1C ZINC000828671549 587456457 /nfs/dbraw/zinc/45/64/57/587456457.db2.gz FKCGMXNDKFXPGC-GFCCVEGCSA-N -1 3 225.288 2.321 20 0 BEADHM CC(C)(C(=O)[N-]OC1CCOCC1)C1CCC1 ZINC000828822482 587464522 /nfs/dbraw/zinc/46/45/22/587464522.db2.gz JPZVFGKRCSNXQH-UHFFFAOYSA-N -1 3 241.331 2.040 20 0 BEADHM CCc1nc(C[N-]c2nc(C(C)C)no2)co1 ZINC000829183590 587486895 /nfs/dbraw/zinc/48/68/95/587486895.db2.gz GAWLBGNSZCQVBX-UHFFFAOYSA-N -1 3 236.275 2.356 20 0 BEADHM C[C@H]1CCC[C@]1(C)C(=O)[N-]OC1CCOCC1 ZINC000829748046 587513770 /nfs/dbraw/zinc/51/37/70/587513770.db2.gz BWFMZNHONGZEOV-GWCFXTLKSA-N -1 3 241.331 2.040 20 0 BEADHM Cc1cc(CNCCN(C)C(=O)[O-])c(C)s1 ZINC000830041300 587533515 /nfs/dbraw/zinc/53/35/15/587533515.db2.gz JKZNQADKHGSDNA-UHFFFAOYSA-N -1 3 242.344 2.064 20 0 BEADHM Cc1ccccc1[C@@H](C)N1CC[C@H](NC(=O)[O-])C1 ZINC000830553527 587558009 /nfs/dbraw/zinc/55/80/09/587558009.db2.gz IVUFAMGNXNPMPO-NEPJUHHUSA-N -1 3 248.326 2.398 20 0 BEADHM Cc1ccccc1[C@@H](C)N1CC[C@@H](NC(=O)[O-])C1 ZINC000830553530 587558056 /nfs/dbraw/zinc/55/80/56/587558056.db2.gz IVUFAMGNXNPMPO-VXGBXAGGSA-N -1 3 248.326 2.398 20 0 BEADHM Cc1ccccc1[C@@H]1CCN(CCNC(=O)[O-])C1 ZINC000830560386 587558604 /nfs/dbraw/zinc/55/86/04/587558604.db2.gz WRORRXFBJRQORC-GFCCVEGCSA-N -1 3 248.326 2.052 20 0 BEADHM Cc1ccsc1[C@@H](C)NCCN(C)C(=O)[O-] ZINC000830616376 587560498 /nfs/dbraw/zinc/56/04/98/587560498.db2.gz MXWPMWMJXIFCAS-SECBINFHSA-N -1 3 242.344 2.317 20 0 BEADHM CCCO[N-]C(=O)Nc1ccc(Cl)nc1 ZINC000831346656 587599932 /nfs/dbraw/zinc/59/99/32/587599932.db2.gz KHIWRXPIIYSVHT-UHFFFAOYSA-N -1 3 229.667 2.198 20 0 BEADHM CCCON=C([O-])Nc1c(C)onc1CC ZINC000831588459 587621723 /nfs/dbraw/zinc/62/17/23/587621723.db2.gz DDMLNCMQNSZFGZ-UHFFFAOYSA-N -1 3 227.264 2.009 20 0 BEADHM CCCO[N-]C(=O)Nc1c(C)onc1CC ZINC000831588459 587621725 /nfs/dbraw/zinc/62/17/25/587621725.db2.gz DDMLNCMQNSZFGZ-UHFFFAOYSA-N -1 3 227.264 2.009 20 0 BEADHM CCCO[N-]C(=O)Nc1cc(F)ccc1OC ZINC000831599489 587622413 /nfs/dbraw/zinc/62/24/13/587622413.db2.gz POEWUOUNOHZJBS-UHFFFAOYSA-N -1 3 242.250 2.297 20 0 BEADHM O=C([O-])N1CC[C@H](N[C@@H]2CCc3ccccc32)C1 ZINC000831953915 587638262 /nfs/dbraw/zinc/63/82/62/587638262.db2.gz VMFNBUNSALUWFT-WCQYABFASA-N -1 3 246.310 2.016 20 0 BEADHM O=C([O-])N1CC[C@H](N[C@H]2CCc3ccccc32)C1 ZINC000831953913 587638619 /nfs/dbraw/zinc/63/86/19/587638619.db2.gz VMFNBUNSALUWFT-AAEUAGOBSA-N -1 3 246.310 2.016 20 0 BEADHM CCC(F)(F)C(=O)[N-][C@H](C)c1nnc(C)s1 ZINC000832170963 587648118 /nfs/dbraw/zinc/64/81/18/587648118.db2.gz IWIVPYUFTDQYOW-RXMQYKEDSA-N -1 3 249.286 2.069 20 0 BEADHM Cc1cc(C)cc(CC(=O)[N-]OCC(F)F)c1 ZINC000832185610 587649121 /nfs/dbraw/zinc/64/91/21/587649121.db2.gz IZSWYYVAIYQLBS-UHFFFAOYSA-N -1 3 243.253 2.159 20 0 BEADHM C[C@@]1(CNC(=O)c2ccccc2[O-])CCCCO1 ZINC000832508748 587663979 /nfs/dbraw/zinc/66/39/79/587663979.db2.gz PKBYQBGTSACFCT-AWEZNQCLSA-N -1 3 249.310 2.081 20 0 BEADHM O=C([O-])[C@H](c1ccccc1F)N1C[C@@H]2CCC[C@H]21 ZINC000833172618 587700951 /nfs/dbraw/zinc/70/09/51/587700951.db2.gz KNDQCHOFUPWYFJ-BIMULSAOSA-N -1 3 249.285 2.436 20 0 BEADHM C[C@H]1CCCCCN1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833611977 587724123 /nfs/dbraw/zinc/72/41/23/587724123.db2.gz LRLKWRXNJNUGMY-JTQLQIEISA-N -1 3 236.315 2.477 20 0 BEADHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1CC(=O)[O-] ZINC000833631156 587725612 /nfs/dbraw/zinc/72/56/12/587725612.db2.gz ACCYGTDDBYYDDU-RKDXNWHRSA-N -1 3 237.274 2.218 20 0 BEADHM CCc1ncc(CN(CC)CCC(=O)[O-])s1 ZINC000833677535 587727732 /nfs/dbraw/zinc/72/77/32/587727732.db2.gz SMDRNXWCQCGYTD-UHFFFAOYSA-N -1 3 242.344 2.002 20 0 BEADHM O=C([O-])N[C@H]1CCC[C@H]1NCc1ccsc1 ZINC000834178164 587748017 /nfs/dbraw/zinc/74/80/17/587748017.db2.gz YFMALRVDIDENHS-ZJUUUORDSA-N -1 3 240.328 2.026 20 0 BEADHM O=C([O-])N[C@H]1CCC[C@@H]1NCc1ccsc1 ZINC000834178161 587748120 /nfs/dbraw/zinc/74/81/20/587748120.db2.gz YFMALRVDIDENHS-UWVGGRQHSA-N -1 3 240.328 2.026 20 0 BEADHM [O-]C(=NOC1CCC1)Nc1ccc(F)cc1 ZINC000836186171 587828151 /nfs/dbraw/zinc/82/81/51/587828151.db2.gz YQUMUIKVXLNFEZ-UHFFFAOYSA-N -1 3 224.235 2.431 20 0 BEADHM O=C([N-]OC1CCC1)Nc1ccc(F)cc1 ZINC000836186171 587828152 /nfs/dbraw/zinc/82/81/52/587828152.db2.gz YQUMUIKVXLNFEZ-UHFFFAOYSA-N -1 3 224.235 2.431 20 0 BEADHM Cc1ccc(NC([O-])=NOC2CCC2)c(C)n1 ZINC000836450722 587833560 /nfs/dbraw/zinc/83/35/60/587833560.db2.gz LXPQYWFPTJCEPR-UHFFFAOYSA-N -1 3 235.287 2.304 20 0 BEADHM Cc1ccc(NC(=O)[N-]OC2CCC2)c(C)n1 ZINC000836450722 587833561 /nfs/dbraw/zinc/83/35/61/587833561.db2.gz LXPQYWFPTJCEPR-UHFFFAOYSA-N -1 3 235.287 2.304 20 0 BEADHM [O-]C(=NOCCC1CC1)Nc1ccc(F)cn1 ZINC000836500585 587834194 /nfs/dbraw/zinc/83/41/94/587834194.db2.gz OKLUEFAADARXEX-UHFFFAOYSA-N -1 3 239.250 2.074 20 0 BEADHM O=C([N-]OCCC1CC1)Nc1ccc(F)cn1 ZINC000836500585 587834195 /nfs/dbraw/zinc/83/41/95/587834195.db2.gz OKLUEFAADARXEX-UHFFFAOYSA-N -1 3 239.250 2.074 20 0 BEADHM C[C@H]1CC=C(C(=O)[N-]O[C@@H]2CCCCO2)CC1 ZINC000836552520 587834928 /nfs/dbraw/zinc/83/49/28/587834928.db2.gz KWZGCERQMGUAKW-CMPLNLGQSA-N -1 3 239.315 2.307 20 0 BEADHM CC(C)ON=C([O-])Nc1cccc2c1CCO2 ZINC000836580929 587835383 /nfs/dbraw/zinc/83/53/83/587835383.db2.gz CNOHJMGLEGUNON-UHFFFAOYSA-N -1 3 236.271 2.083 20 0 BEADHM CC(C)O[N-]C(=O)Nc1cccc2c1CCO2 ZINC000836580929 587835384 /nfs/dbraw/zinc/83/53/84/587835384.db2.gz CNOHJMGLEGUNON-UHFFFAOYSA-N -1 3 236.271 2.083 20 0 BEADHM CCON=C([O-])Nc1ccc(C2CCC2)cn1 ZINC000836701910 587836204 /nfs/dbraw/zinc/83/62/04/587836204.db2.gz JWRLRXIKHOJUGD-UHFFFAOYSA-N -1 3 235.287 2.422 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(C2CCC2)cn1 ZINC000836701910 587836205 /nfs/dbraw/zinc/83/62/05/587836205.db2.gz JWRLRXIKHOJUGD-UHFFFAOYSA-N -1 3 235.287 2.422 20 0 BEADHM O=C([N-]C1CCCCC1)C(F)(F)C(F)F ZINC000003161295 587836292 /nfs/dbraw/zinc/83/62/92/587836292.db2.gz CIEJFOIOLAGVTA-UHFFFAOYSA-N -1 3 227.201 2.336 20 0 BEADHM CC(C)OCCO[N-]C(=O)C1=CC[C@@H](C)CC1 ZINC000836789924 587836780 /nfs/dbraw/zinc/83/67/80/587836780.db2.gz WMOJEHOFDJMLGM-LLVKDONJSA-N -1 3 241.331 2.206 20 0 BEADHM C[C@]1(C(=O)[N-]OC2CCC2)C[C@H]2C[C@H]2C1 ZINC000836800028 587837374 /nfs/dbraw/zinc/83/73/74/587837374.db2.gz QKJALYIEUBUUHI-GDGBQDQQSA-N -1 3 209.289 2.023 20 0 BEADHM C[C@H]1CCC[C@H](CC(=O)[N-]OC(C)(C)CO)C1 ZINC000836802960 587837753 /nfs/dbraw/zinc/83/77/53/587837753.db2.gz AVCJGNUHZNFRML-QWRGUYRKSA-N -1 3 243.347 2.022 20 0 BEADHM C[C@H]1CCC[C@@H](CC(=O)[N-]OC(C)(C)CO)C1 ZINC000836802962 587837833 /nfs/dbraw/zinc/83/78/33/587837833.db2.gz AVCJGNUHZNFRML-WDEREUQCSA-N -1 3 243.347 2.022 20 0 BEADHM CCCC(=CC(=O)[N-]OC(C)(C)CO)CCC ZINC000836805214 587838045 /nfs/dbraw/zinc/83/80/45/587838045.db2.gz VINNXPFIHHNYHU-UHFFFAOYSA-N -1 3 243.347 2.332 20 0 BEADHM C[C@@H](CC(=O)[N-]OC(C)(C)CO)CC(C)(C)C ZINC000836804576 587838109 /nfs/dbraw/zinc/83/81/09/587838109.db2.gz XUAWDFVHSVXGGT-JTQLQIEISA-N -1 3 245.363 2.268 20 0 BEADHM CC(C)CC(C)(C)C(=O)[N-]O[C@@H](CO)C(C)C ZINC000836888773 587841229 /nfs/dbraw/zinc/84/12/29/587841229.db2.gz BORKTYMIGBQPOK-NSHDSACASA-N -1 3 245.363 2.123 20 0 BEADHM CC(C)[C@@H](CO)O[N-]C(=O)CCCC(C)(C)C ZINC000836897180 587842120 /nfs/dbraw/zinc/84/21/20/587842120.db2.gz OOUZTKWNMZFEMN-LLVKDONJSA-N -1 3 245.363 2.268 20 0 BEADHM CC(C)[C@H](CO)O[N-]C(=O)CC1CCCCC1 ZINC000836906050 587842704 /nfs/dbraw/zinc/84/27/04/587842704.db2.gz NLMZYGYNEXSOFI-LBPRGKRZSA-N -1 3 243.347 2.022 20 0 BEADHM CC(C)CCCCC(=O)[N-]OC(C)(C)CO ZINC000837678309 587890274 /nfs/dbraw/zinc/89/02/74/587890274.db2.gz CRDXQWONOUMBFB-UHFFFAOYSA-N -1 3 231.336 2.022 20 0 BEADHM CCO[N-]C(=O)Nc1ccc2c(c1)CCCN2 ZINC000841304441 587951259 /nfs/dbraw/zinc/95/12/59/587951259.db2.gz NGMMQVQFUGPZFJ-UHFFFAOYSA-N -1 3 235.287 2.118 20 0 BEADHM Cc1cncc(CO[N-]C(=O)CC(C)(C)C)c1 ZINC000842062018 587994702 /nfs/dbraw/zinc/99/47/02/587994702.db2.gz VUYVDZVKRANHML-UHFFFAOYSA-N -1 3 236.315 2.374 20 0 BEADHM COCCO[N-]C(=O)C[C@H](C)CCC=C(C)C ZINC000843815552 588142700 /nfs/dbraw/zinc/14/27/00/588142700.db2.gz URIZLVYYLOQOON-GFCCVEGCSA-N -1 3 243.347 2.453 20 0 BEADHM CCCO[N-]C(=O)Cc1cn(C)c2ccccc12 ZINC000844083815 588162529 /nfs/dbraw/zinc/16/25/29/588162529.db2.gz UDFCZOJIDLADOY-UHFFFAOYSA-N -1 3 246.310 2.179 20 0 BEADHM CCCO[N-]C(=O)CCc1c(C)noc1Cl ZINC000844083615 588162761 /nfs/dbraw/zinc/16/27/61/588162761.db2.gz QFVOBYXKTOMLEZ-UHFFFAOYSA-N -1 3 246.694 2.027 20 0 BEADHM CCCO[N-]C(=O)Cc1cc(F)c(F)cc1F ZINC000844085636 588163884 /nfs/dbraw/zinc/16/38/84/588163884.db2.gz IAOSFXHEUICAKJ-UHFFFAOYSA-N -1 3 247.216 2.104 20 0 BEADHM CCCO[N-]C(=O)Cc1ccc(Cl)nc1C ZINC000844086087 588164314 /nfs/dbraw/zinc/16/43/14/588164314.db2.gz LXZJOSBXNGVEFA-UHFFFAOYSA-N -1 3 242.706 2.044 20 0 BEADHM CCCO[N-]C(=O)C[C@H]1OCCc2ccccc21 ZINC000844087271 588164949 /nfs/dbraw/zinc/16/49/49/588164949.db2.gz ZSETVPBGPMVHHT-CYBMUJFWSA-N -1 3 249.310 2.148 20 0 BEADHM CCCO[N-]C(=O)c1c(Cl)cncc1Cl ZINC000844087876 588165227 /nfs/dbraw/zinc/16/52/27/588165227.db2.gz GQEPSXFGGUPTGM-UHFFFAOYSA-N -1 3 249.097 2.460 20 0 BEADHM O=C([N-]C1=NCCS1)[C@@H]1C[C@@H]1C1CCCC1 ZINC000844317332 588184348 /nfs/dbraw/zinc/18/43/48/588184348.db2.gz QPZYBXLBUNGFTF-NXEZZACHSA-N -1 3 238.356 2.032 20 0 BEADHM CC[C@@H](C(=O)[O-])N(C)Cc1ccnc(Cl)c1 ZINC000844839691 588218238 /nfs/dbraw/zinc/21/82/38/588218238.db2.gz RVWMDCWPHNAIHD-VIFPVBQESA-N -1 3 242.706 2.030 20 0 BEADHM COC/C(C)=C\C(=O)Nc1c(C)cccc1[O-] ZINC000845907507 588250055 /nfs/dbraw/zinc/25/00/55/588250055.db2.gz PPHAOGKQHSHTOY-CLFYSBASSA-N -1 3 235.283 2.232 20 0 BEADHM C[Si](C)(C)CCCC(=O)[N-]OCC(F)F ZINC000847734885 588328060 /nfs/dbraw/zinc/32/80/60/588328060.db2.gz KQGNBYJXKKFICP-UHFFFAOYSA-N -1 3 239.338 2.418 20 0 BEADHM CSCCO[N-]C(=O)/C(C)=C/c1ccco1 ZINC000848021155 588348600 /nfs/dbraw/zinc/34/86/00/588348600.db2.gz QYMKUEJHQIQNQI-CMDGGOBGSA-N -1 3 241.312 2.094 20 0 BEADHM COCCCO[N-]C(=O)CCC[Si](C)(C)C ZINC000848069245 588353362 /nfs/dbraw/zinc/35/33/62/588353362.db2.gz SAQCUTPJZYTWNR-UHFFFAOYSA-N -1 3 247.411 2.189 20 0 BEADHM C/C(=C\c1ccco1)C(=O)[N-]OCC1CC1 ZINC000848129346 588359472 /nfs/dbraw/zinc/35/94/72/588359472.db2.gz QZPIEDFQSNIDBR-VQHVLOKHSA-N -1 3 221.256 2.141 20 0 BEADHM C/C(=C/c1ccccn1)C(=O)[N-]OC1CCC1 ZINC000848162554 588362794 /nfs/dbraw/zinc/36/27/94/588362794.db2.gz POYVBZBJYYHREC-KTKRTIGZSA-N -1 3 232.283 2.085 20 0 BEADHM C/C(=C/c1ccco1)C(=O)[N-]OC(C)C ZINC000848163292 588363155 /nfs/dbraw/zinc/36/31/55/588363155.db2.gz YUPOLYMMXMSMTJ-CLFYSBASSA-N -1 3 209.245 2.139 20 0 BEADHM COc1ccc(C(C)C)cc1CO[N-]C(C)=O ZINC000848508081 588387326 /nfs/dbraw/zinc/38/73/26/588387326.db2.gz HAYLZJPDYYPGDT-UHFFFAOYSA-N -1 3 237.299 2.386 20 0 BEADHM CC(C)[C@H](C)OC(=O)c1ccc([O-])cc1O ZINC000849636675 588483319 /nfs/dbraw/zinc/48/33/19/588483319.db2.gz STMBLHWDPAYBNJ-QMMMGPOBSA-N -1 3 224.256 2.299 20 0 BEADHM CC[C@@H](C)CCNC(=O)c1ccc(N)cc1[O-] ZINC000852846189 588708046 /nfs/dbraw/zinc/70/80/46/588708046.db2.gz DYRJCAVYAVDHDB-SECBINFHSA-N -1 3 236.315 2.140 20 0 BEADHM Cc1cccc([O-])c1C(=O)NOC1CCCC1 ZINC000860600807 589108884 /nfs/dbraw/zinc/10/88/84/589108884.db2.gz CFZNAXNXUAJDAP-UHFFFAOYSA-N -1 3 235.283 2.305 20 0 BEADHM CSCCO[N-]C(=O)C[C@H](C)c1ccco1 ZINC000861471239 589166581 /nfs/dbraw/zinc/16/65/81/589166581.db2.gz UHLOJTPKGLEZIW-VIFPVBQESA-N -1 3 243.328 2.184 20 0 BEADHM O=C([N-]OC/C=C\Cl)[C@@H]1CCCC12CC2 ZINC000861782336 589178227 /nfs/dbraw/zinc/17/82/27/589178227.db2.gz ALNLZOYLKHHSSK-HKQQGCEUSA-N -1 3 229.707 2.367 20 0 BEADHM CC(C)OCCO[N-]C(=O)[C@@H]1CCCC12CC2 ZINC000861793883 589178473 /nfs/dbraw/zinc/17/84/73/589178473.db2.gz FFANWPVWKMWXCL-NSHDSACASA-N -1 3 241.331 2.040 20 0 BEADHM Cc1ccc(NC(=O)c2ccc(F)nc2)c([O-])c1 ZINC000118760523 589193312 /nfs/dbraw/zinc/19/33/12/589193312.db2.gz SHRGAUDEGIFJIQ-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM CCC(F)(F)C[N-]C(=O)C(F)(F)CC ZINC000862899133 589246300 /nfs/dbraw/zinc/24/63/00/589246300.db2.gz YUBCFWRKPPZVSU-UHFFFAOYSA-N -1 3 215.190 2.193 20 0 BEADHM C/C(=C/CN[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000203631315 589252602 /nfs/dbraw/zinc/25/26/02/589252602.db2.gz VEPUPMFJHSHGBB-IEHMKBBKSA-N -1 3 219.284 2.368 20 0 BEADHM C[C@@H]1C[C@H]1CO[N-]C(=O)CCOc1ccccc1 ZINC000863457243 589289424 /nfs/dbraw/zinc/28/94/24/589289424.db2.gz QROGJZZMHGMSSJ-NEPJUHHUSA-N -1 3 249.310 2.159 20 0 BEADHM O=C([N-]OC/C=C/Cl)[C@@H]1C[C@H]1c1ccco1 ZINC000863919636 589326624 /nfs/dbraw/zinc/32/66/24/589326624.db2.gz WTTVXHGRYMHYIT-HBMQMAGWSA-N -1 3 241.674 2.183 20 0 BEADHM CC(C)NC(=O)c1c(Cl)n[n-]c1C1CC1 ZINC000864372768 589356486 /nfs/dbraw/zinc/35/64/86/589356486.db2.gz WMRAJNCWFDAYFS-UHFFFAOYSA-N -1 3 227.695 2.079 20 0 BEADHM CCO[N-]C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000864688685 589389985 /nfs/dbraw/zinc/38/99/85/589389985.db2.gz DTOLGIMJDUWJIR-NEPJUHHUSA-N -1 3 233.311 2.494 20 0 BEADHM CCO[N-]C(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC000864690680 589390254 /nfs/dbraw/zinc/39/02/54/589390254.db2.gz SDQZDZCLXQOCPJ-JTQLQIEISA-N -1 3 239.290 2.462 20 0 BEADHM O=C(Nc1ccccc1[O-])C1CC2(CSC2)C1 ZINC000864961692 589402429 /nfs/dbraw/zinc/40/24/29/589402429.db2.gz CZANINDTKGZJBZ-UHFFFAOYSA-N -1 3 249.335 2.474 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2cn(C3CC3)cn2)n1 ZINC000865225147 589414688 /nfs/dbraw/zinc/41/46/88/589414688.db2.gz ZAAGULIZBBSYPL-DJWKRKHSSA-N -1 3 242.282 2.192 20 0 BEADHM CO[N-]C(=O)CCCOc1ccc2c(c1)CCC2 ZINC000120555184 589435121 /nfs/dbraw/zinc/43/51/21/589435121.db2.gz NHRCRFHQTQZVIN-UHFFFAOYSA-N -1 3 249.310 2.012 20 0 BEADHM Cc1cc(N)cc(NC(=O)[N-]OCC(C)C)c1 ZINC000868193131 589550950 /nfs/dbraw/zinc/55/09/50/589550950.db2.gz JYJUYJDHPRLXDW-UHFFFAOYSA-N -1 3 237.303 2.286 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)c1cc(C)cnc1F ZINC000868523271 589562783 /nfs/dbraw/zinc/56/27/83/589562783.db2.gz VFLTXXTUXLEHRV-MRVPVSSYSA-N -1 3 240.278 2.237 20 0 BEADHM CC[C@@H](C)OC(=O)c1cn[n-]c1[C@@H]1CCCO1 ZINC000869900584 589636618 /nfs/dbraw/zinc/63/66/18/589636618.db2.gz GNHFONZDWCCILK-SCZZXKLOSA-N -1 3 238.287 2.217 20 0 BEADHM CC[C@@H](C)OC(=O)c1c[n-]nc1[C@@H]1CCCO1 ZINC000869900584 589636620 /nfs/dbraw/zinc/63/66/20/589636620.db2.gz GNHFONZDWCCILK-SCZZXKLOSA-N -1 3 238.287 2.217 20 0 BEADHM CC[C@H](C)OC(=O)c1cn[n-]c1[C@H]1CCCO1 ZINC000869900585 589636810 /nfs/dbraw/zinc/63/68/10/589636810.db2.gz GNHFONZDWCCILK-WCBMZHEXSA-N -1 3 238.287 2.217 20 0 BEADHM CC[C@H](C)OC(=O)c1c[n-]nc1[C@H]1CCCO1 ZINC000869900585 589636812 /nfs/dbraw/zinc/63/68/12/589636812.db2.gz GNHFONZDWCCILK-WCBMZHEXSA-N -1 3 238.287 2.217 20 0 BEADHM Cc1ccc(C[N-]C(=O)C(C)(Cl)Cl)o1 ZINC000871022246 589713992 /nfs/dbraw/zinc/71/39/92/589713992.db2.gz RQVXJFOJLVPPJX-UHFFFAOYSA-N -1 3 236.098 2.398 20 0 BEADHM CSCCC(=O)[N-]OCCCC(F)(F)F ZINC000871209867 589746388 /nfs/dbraw/zinc/74/63/88/589746388.db2.gz JJTZWXIJTWCXGQ-UHFFFAOYSA-N -1 3 245.266 2.130 20 0 BEADHM Cc1[n-]n(C2CCC(C)CC2)c(=O)c1F ZINC000871949243 589839567 /nfs/dbraw/zinc/83/95/67/589839567.db2.gz SUSIWZOCOAOGMV-GDRRJGKNSA-N -1 3 212.268 2.121 20 0 BEADHM Cc1[n-]n(Cc2cccc(Cl)c2)c(=O)c1F ZINC000871950728 589840063 /nfs/dbraw/zinc/84/00/63/589840063.db2.gz GCQBPYHPJUUSJU-SNVBAGLBSA-N -1 3 240.665 2.396 20 0 BEADHM Cc1[n-]n(CC2(C)CCCC2)c(=O)c1F ZINC000871962092 589846020 /nfs/dbraw/zinc/84/60/20/589846020.db2.gz XAVGVUOXRGYZEW-VIFPVBQESA-N -1 3 212.268 2.123 20 0 BEADHM C[C@@H](NCc1nccn1C)c1cccc([O-])c1F ZINC000872031227 589857386 /nfs/dbraw/zinc/85/73/86/589857386.db2.gz IBPDESNSGKLVDL-SECBINFHSA-N -1 3 249.289 2.116 20 0 BEADHM C[C@@H](NCc1cc[nH]n1)c1cccc([O-])c1F ZINC000872035763 589858227 /nfs/dbraw/zinc/85/82/27/589858227.db2.gz YQNVXCASCWSTPX-MRVPVSSYSA-N -1 3 235.262 2.105 20 0 BEADHM C[C@H](N[C@@H]1CCC[C@H]1O)c1cccc([O-])c1F ZINC000872079669 589865704 /nfs/dbraw/zinc/86/57/04/589865704.db2.gz ZMDJVVIKWYAVFD-JMJZKYOTSA-N -1 3 239.290 2.095 20 0 BEADHM CC(C)[C@@H](C)N(C)c1cc(Cl)n[n-]c1=O ZINC000872409430 589936230 /nfs/dbraw/zinc/93/62/30/589936230.db2.gz ZGDMDIHSQNIGRY-SSDOTTSWSA-N -1 3 229.711 2.316 20 0 BEADHM C[C@@H](CNc1cc(Cl)n[n-]c1=O)C1CC1 ZINC000872421796 589938247 /nfs/dbraw/zinc/93/82/47/589938247.db2.gz YHIBGQZCYWIPOF-LURJTMIESA-N -1 3 227.695 2.294 20 0 BEADHM CC(C)[C@H]1CCCN1c1cc(Cl)n[n-]c1=O ZINC000872423490 589938545 /nfs/dbraw/zinc/93/85/45/589938545.db2.gz TUSMNSAOBIXDEQ-MRVPVSSYSA-N -1 3 241.722 2.460 20 0 BEADHM CC(C)(C)OCCNc1cc(Cl)n[n-]c1=O ZINC000872432642 589939146 /nfs/dbraw/zinc/93/91/46/589939146.db2.gz ZYBYALXFNHQNQW-UHFFFAOYSA-N -1 3 245.710 2.063 20 0 BEADHM COCCCCCNc1cc(Cl)n[n-]c1=O ZINC000872432511 589939236 /nfs/dbraw/zinc/93/92/36/589939236.db2.gz UNYWNQHEMDABGS-UHFFFAOYSA-N -1 3 245.710 2.064 20 0 BEADHM CC[C@@H]1CCCN1c1cc(Cl)n[n-]c1=O ZINC000872441137 589939475 /nfs/dbraw/zinc/93/94/75/589939475.db2.gz JWVZPJIZRLQUKR-SSDOTTSWSA-N -1 3 227.695 2.214 20 0 BEADHM CC1(C)CCN(c2cc(Cl)n[n-]c2=O)CC1 ZINC000872440194 589939596 /nfs/dbraw/zinc/93/95/96/589939596.db2.gz CQFBHVIQXHCALT-UHFFFAOYSA-N -1 3 241.722 2.462 20 0 BEADHM O=c1[n-]nc(Cl)cc1NCCCC1CC1 ZINC000872459037 589940785 /nfs/dbraw/zinc/94/07/85/589940785.db2.gz PAONEBQSDBSEKJ-UHFFFAOYSA-N -1 3 227.695 2.438 20 0 BEADHM CSCC[C@@H](C)Nc1cc(Cl)n[n-]c1=O ZINC000872457987 589940898 /nfs/dbraw/zinc/94/08/98/589940898.db2.gz GYGWTHQLXXWNPS-ZCFIWIBFSA-N -1 3 247.751 2.389 20 0 BEADHM C[C@@H](N(C)c1cc(Cl)n[n-]c1=O)C1(C)CC1 ZINC000872477467 589943240 /nfs/dbraw/zinc/94/32/40/589943240.db2.gz KUUIADNAOGJUCU-SSDOTTSWSA-N -1 3 241.722 2.460 20 0 BEADHM CC(C)[C@@H]1CCN(c2cc(Cl)n[n-]c2=O)C1 ZINC000872480989 589944076 /nfs/dbraw/zinc/94/40/76/589944076.db2.gz RSVPYHPRSCQOGZ-MRVPVSSYSA-N -1 3 241.722 2.318 20 0 BEADHM CC[C@@H](CSC)Nc1cc(Cl)n[n-]c1=O ZINC000872502528 589944950 /nfs/dbraw/zinc/94/49/50/589944950.db2.gz HKNMHFUZSIJQSK-LURJTMIESA-N -1 3 247.751 2.389 20 0 BEADHM CC[C@H](CSC)Nc1cc(Cl)n[n-]c1=O ZINC000872502530 589945132 /nfs/dbraw/zinc/94/51/32/589945132.db2.gz HKNMHFUZSIJQSK-ZCFIWIBFSA-N -1 3 247.751 2.389 20 0 BEADHM CC[C@@H]1[C@H](C)CCN1c1cc(Cl)n[n-]c1=O ZINC000872513315 589945735 /nfs/dbraw/zinc/94/57/35/589945735.db2.gz MCFFUAJLCINOQX-HTQZYQBOSA-N -1 3 241.722 2.460 20 0 BEADHM C[C@H]1CC[C@@H](Nc2cc(Cl)n[n-]c2=O)C1 ZINC000872517510 589946610 /nfs/dbraw/zinc/94/66/10/589946610.db2.gz MSXBXEITUADZPL-NKWVEPMBSA-N -1 3 227.695 2.436 20 0 BEADHM CCN(CC1CCC1)c1cc(Cl)n[n-]c1=O ZINC000872529987 589947601 /nfs/dbraw/zinc/94/76/01/589947601.db2.gz MVVNJBBXLVYYJV-UHFFFAOYSA-N -1 3 241.722 2.462 20 0 BEADHM C[C@H]1CC[C@@H]1Nc1cc(Cl)n[n-]c1=O ZINC000872546836 589949194 /nfs/dbraw/zinc/94/91/94/589949194.db2.gz FFZISMNABOVPMI-WDSKDSINSA-N -1 3 213.668 2.046 20 0 BEADHM CC[C@H](C)CONc1cc(Cl)n[n-]c1=O ZINC000872552393 589949758 /nfs/dbraw/zinc/94/97/58/589949758.db2.gz WMSXPCIIONXJTD-LURJTMIESA-N -1 3 231.683 2.225 20 0 BEADHM C[C@@H]1C[C@H](Nc2cc(Cl)n[n-]c2=O)CS1 ZINC000872571695 589952572 /nfs/dbraw/zinc/95/25/72/589952572.db2.gz ZTJALATZJCJAOY-RITPCOANSA-N -1 3 245.735 2.142 20 0 BEADHM O=c1[n-]nc(Cl)cc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000872576637 589953682 /nfs/dbraw/zinc/95/36/82/589953682.db2.gz QZVPCZRVBUJEQF-KVSKUHBBSA-N -1 3 225.679 2.046 20 0 BEADHM O=c1[n-]nc(Cl)cc1N1C[C@@H]2CCCC[C@@H]21 ZINC000872590103 589954856 /nfs/dbraw/zinc/95/48/56/589954856.db2.gz ANORFJFKRQTNBL-YUMQZZPRSA-N -1 3 239.706 2.214 20 0 BEADHM C[C@@]1(CNc2cc(Cl)n[n-]c2=O)CC1(F)F ZINC000872602564 589956092 /nfs/dbraw/zinc/95/60/92/589956092.db2.gz ZJUCKZNQVGNRPO-QMMMGPOBSA-N -1 3 249.648 2.293 20 0 BEADHM [O-]c1ccc(CNCc2cncs2)cc1F ZINC000124304684 589974044 /nfs/dbraw/zinc/97/40/44/589974044.db2.gz NIXMCNGOIZZXOE-UHFFFAOYSA-N -1 3 238.287 2.278 20 0 BEADHM Cc1cc(NC(=O)c2ccc(C)cc2[O-])no1 ZINC000019837773 589990917 /nfs/dbraw/zinc/99/09/17/589990917.db2.gz VNAOYILOZGJSAS-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM CCc1ccc([O-])c(C(=O)NOCC(C)C)c1 ZINC000124522207 590046568 /nfs/dbraw/zinc/04/65/68/590046568.db2.gz DGIHRARBXAXYNR-UHFFFAOYSA-N -1 3 237.299 2.272 20 0 BEADHM CCC[C@@H](CC)C(=O)[N-]C1=NCCS1 ZINC000873837873 590073618 /nfs/dbraw/zinc/07/36/18/590073618.db2.gz JTGIVGMXMJYFHP-MRVPVSSYSA-N -1 3 214.334 2.032 20 0 BEADHM CC(C)CSCCC[N-]C(=O)C(F)(F)F ZINC000124707599 590075920 /nfs/dbraw/zinc/07/59/20/590075920.db2.gz FINMEMBKXIFPQG-UHFFFAOYSA-N -1 3 243.294 2.444 20 0 BEADHM C[C@H]1C[C@H]1c1ccc(CNC2CC(C(=O)[O-])C2)o1 ZINC000874056013 590089067 /nfs/dbraw/zinc/08/90/67/590089067.db2.gz KNQXBCOVRNTRPU-ULCALQBOSA-N -1 3 249.310 2.356 20 0 BEADHM CCC[C@H](CC)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000874262073 590100458 /nfs/dbraw/zinc/10/04/58/590100458.db2.gz IGGJHCHDZVEVQO-WDEREUQCSA-N -1 3 229.320 2.387 20 0 BEADHM O=C(/C=C\C1CC1)[N-]Oc1ccccc1F ZINC000874912001 590155115 /nfs/dbraw/zinc/15/51/15/590155115.db2.gz PVUXKHYMEYEQMX-FPLPWBNLSA-N -1 3 221.231 2.202 20 0 BEADHM Nc1ccc(C(=O)N[C@H]2CCCC23CC3)c([O-])c1 ZINC000877131612 590290563 /nfs/dbraw/zinc/29/05/63/590290563.db2.gz FQZWTESVPDDPEI-LBPRGKRZSA-N -1 3 246.310 2.037 20 0 BEADHM Nc1ccc(C(=O)N[C@]23C[C@H]2CCCC3)c([O-])c1 ZINC000877195923 590299665 /nfs/dbraw/zinc/29/96/65/590299665.db2.gz RXRHOGUZBKEESZ-YMTOWFKASA-N -1 3 246.310 2.037 20 0 BEADHM CC[C@H]1CCC[C@@]1(C)C(=O)[N-]C1=NCCS1 ZINC000877963034 590459255 /nfs/dbraw/zinc/45/92/55/590459255.db2.gz FCUYUDCXGNALMQ-JOYOIKCWSA-N -1 3 240.372 2.422 20 0 BEADHM CCOCCO[N-]C(=O)[C@@]1(C)CCC[C@H]1CC ZINC000879533859 590794597 /nfs/dbraw/zinc/79/45/97/590794597.db2.gz SZYVHHMMZVBQIK-YPMHNXCESA-N -1 3 243.347 2.287 20 0 BEADHM C[C@@H]1CC[C@H](NCc2ccc(C(=O)[O-])o2)C1 ZINC000128425857 591037632 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IDCKGPIPBPXLAH-SNVBAGLBSA-N -1 3 236.315 2.230 20 0 BEADHM C[C@H]1CCC[C@@H]1CC(=O)NCc1cncc([O-])c1 ZINC000886276556 592196758 /nfs/dbraw/zinc/19/67/58/592196758.db2.gz MCXPQEDEACPLRX-CMPLNLGQSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@@H]1CC[C@@H](CC(=O)NCc2cncc([O-])c2)C1 ZINC000886278046 592196963 /nfs/dbraw/zinc/19/69/63/592196963.db2.gz LODCNBATODAMAU-GHMZBOCLSA-N -1 3 248.326 2.230 20 0 BEADHM C[C@H]1CC/C(=C\C(=O)NCc2cncc([O-])c2)C1 ZINC000886278138 592197164 /nfs/dbraw/zinc/19/71/64/592197164.db2.gz PFGPLRCNSPPABZ-OTXQMUPVSA-N -1 3 246.310 2.150 20 0 BEADHM CC(C)(C)/C=C/C(=O)NCc1cncc([O-])c1 ZINC000886280043 592198113 /nfs/dbraw/zinc/19/81/13/592198113.db2.gz SRPGFHVJYPXAMQ-SNAWJCMRSA-N -1 3 234.299 2.006 20 0 BEADHM CCCON=C([O-])Nc1ccc(Cl)cn1 ZINC000220761003 592347068 /nfs/dbraw/zinc/34/70/68/592347068.db2.gz YVBIZDRPFNTSCX-UHFFFAOYSA-N -1 3 229.667 2.198 20 0 BEADHM CCCO[N-]C(=O)Nc1ccc(Cl)cn1 ZINC000220761003 592347071 /nfs/dbraw/zinc/34/70/71/592347071.db2.gz YVBIZDRPFNTSCX-UHFFFAOYSA-N -1 3 229.667 2.198 20 0 BEADHM CC1(C)C[C@H]1C(=O)[N-]OCCOc1ccccc1 ZINC000889446513 592611670 /nfs/dbraw/zinc/61/16/70/592611670.db2.gz JJQPCYFXMPAJCH-LBPRGKRZSA-N -1 3 249.310 2.159 20 0 BEADHM O=C([N-]OCCOc1ccccc1)C1=CCCC1 ZINC000889446783 592612152 /nfs/dbraw/zinc/61/21/52/592612152.db2.gz UNNFPSORORDGMV-UHFFFAOYSA-N -1 3 247.294 2.224 20 0 BEADHM CCC(F)(F)C(=O)[N-][C@@H](C)c1cncs1 ZINC000889507247 592615913 /nfs/dbraw/zinc/61/59/13/592615913.db2.gz QRUBNCIVLIDFDV-LURJTMIESA-N -1 3 234.271 2.366 20 0 BEADHM CCCCC1(NC(=O)c2csc(=O)[n-]2)CC1 ZINC000889528239 592618446 /nfs/dbraw/zinc/61/84/46/592618446.db2.gz BYOPOSFYILYSAK-UHFFFAOYSA-N -1 3 240.328 2.301 20 0 BEADHM O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1ccc(O)cc1[O-] ZINC000889600041 592626010 /nfs/dbraw/zinc/62/60/10/592626010.db2.gz OJFQHUNBEVZGKC-UBHAPETDSA-N -1 3 247.294 2.016 20 0 BEADHM C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccccc1[O-] ZINC000106068975 592703817 /nfs/dbraw/zinc/70/38/17/592703817.db2.gz FRNQSUJCJKOSJV-GHMZBOCLSA-N -1 3 248.326 2.300 20 0 BEADHM CCc1ccc([C@@H](CNC(=O)[O-])N(C)C)cc1 ZINC000739540949 602663930 /nfs/dbraw/zinc/66/39/30/602663930.db2.gz DBKCMIILMAJMGG-GFCCVEGCSA-N -1 3 236.315 2.119 20 0 BEADHM Cc1nc([C@H](C)NCCCC(=O)[O-])c(C)s1 ZINC000037417290 597371455 /nfs/dbraw/zinc/37/14/55/597371455.db2.gz FBNFPZSCZWSQMP-ZETCQYMHSA-N -1 3 242.344 2.275 20 0 BEADHM CCc1nc(CNCCCCC(=O)[O-])cs1 ZINC000328362131 598166086 /nfs/dbraw/zinc/16/60/86/598166086.db2.gz PAVHARZSZQOREZ-UHFFFAOYSA-N -1 3 242.344 2.050 20 0 BEADHM C[C@H](NCCCCC(=O)[O-])c1cscn1 ZINC000820141374 598171350 /nfs/dbraw/zinc/17/13/50/598171350.db2.gz AYBVYICCAHRFGJ-QMMMGPOBSA-N -1 3 228.317 2.049 20 0 BEADHM C[C@@H](c1nc2ccccc2o1)N(C)CCC(=O)[O-] ZINC000820200044 598205519 /nfs/dbraw/zinc/20/55/19/598205519.db2.gz UHBPFQJYLIGCFV-VIFPVBQESA-N -1 3 248.282 2.295 20 0 BEADHM Clc1cc(NC2CCC2)ccc1-c1nnn[n-]1 ZINC000095154567 598673383 /nfs/dbraw/zinc/67/33/83/598673383.db2.gz VTAISAQXDDBDDL-UHFFFAOYSA-N -1 3 249.705 2.485 20 0 BEADHM Clc1cc(NC2CCC2)ccc1-c1nn[n-]n1 ZINC000095154567 598673385 /nfs/dbraw/zinc/67/33/85/598673385.db2.gz VTAISAQXDDBDDL-UHFFFAOYSA-N -1 3 249.705 2.485 20 0 BEADHM O=C([O-])CCC1CCN(C/C=C/Cl)CC1 ZINC000050926197 601839846 /nfs/dbraw/zinc/83/98/46/601839846.db2.gz DEEPSJUXFSJARC-LZCJLJQNSA-N -1 3 231.723 2.316 20 0 BEADHM CN(C(=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000739585265 601981968 /nfs/dbraw/zinc/98/19/68/601981968.db2.gz OMDYYQPGCYSNFP-CYBMUJFWSA-N -1 3 248.326 2.261 20 0 BEADHM CC(C)C[C@H](CNC(=O)[O-])NCc1ccoc1 ZINC000738813009 602571491 /nfs/dbraw/zinc/57/14/91/602571491.db2.gz WLPXKNHSPRXZMF-LLVKDONJSA-N -1 3 240.303 2.052 20 0 BEADHM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)[O-] ZINC000740155716 602663614 /nfs/dbraw/zinc/66/36/14/602663614.db2.gz ULTCGEQPBXRUJO-WCQYABFASA-N -1 3 246.310 2.281 20 0 BEADHM CCc1ccc([C@H](CNC(=O)[O-])N(C)C)cc1 ZINC000739540950 602663886 /nfs/dbraw/zinc/66/38/86/602663886.db2.gz DBKCMIILMAJMGG-LBPRGKRZSA-N -1 3 236.315 2.119 20 0 BEADHM C[C@H](CNC(=O)[O-])N(C)C/C=C\c1ccccc1 ZINC000738937736 603237182 /nfs/dbraw/zinc/23/71/82/603237182.db2.gz FOJPQVSRYAEDKH-OJIASSBASA-N -1 3 248.326 2.288 20 0 BEADHM Cc1cc(C)cc(CN2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000740067799 604370437 /nfs/dbraw/zinc/37/04/37/604370437.db2.gz UOOZSINSIOQMML-CYBMUJFWSA-N -1 3 248.326 2.145 20 0 BEADHM CC1CC(Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC000095159384 606421582 /nfs/dbraw/zinc/42/15/82/606421582.db2.gz DYKCBKNDHXZICD-UHFFFAOYSA-N -1 3 247.277 2.216 20 0 BEADHM CC1CC(Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC000095159384 606421584 /nfs/dbraw/zinc/42/15/84/606421584.db2.gz DYKCBKNDHXZICD-UHFFFAOYSA-N -1 3 247.277 2.216 20 0 BEADHM Clc1cc(-c2nn[n-]n2)ccc1NCC1CC1 ZINC000822564280 607124111 /nfs/dbraw/zinc/12/41/11/607124111.db2.gz YEYNCJJGQDCGRF-UHFFFAOYSA-N -1 3 249.705 2.342 20 0 BEADHM CCCCCNc1nc(C)ccc1-c1nnn[n-]1 ZINC000095288772 608268479 /nfs/dbraw/zinc/26/84/79/608268479.db2.gz VCBADBZGEFZNRA-UHFFFAOYSA-N -1 3 246.318 2.172 20 0 BEADHM CCCCCNc1nc(C)ccc1-c1nn[n-]n1 ZINC000095288772 608268482 /nfs/dbraw/zinc/26/84/82/608268482.db2.gz VCBADBZGEFZNRA-UHFFFAOYSA-N -1 3 246.318 2.172 20 0 BEADHM c1cc(NC2CCCC2)cc(-c2nnn[n-]2)c1 ZINC000037102062 608866403 /nfs/dbraw/zinc/86/64/03/608866403.db2.gz DEIQNLZQLPAJQX-UHFFFAOYSA-N -1 3 229.287 2.221 20 0 BEADHM c1cc(NC2CCCC2)cc(-c2nn[n-]n2)c1 ZINC000037102062 608866405 /nfs/dbraw/zinc/86/64/05/608866405.db2.gz DEIQNLZQLPAJQX-UHFFFAOYSA-N -1 3 229.287 2.221 20 0 BEADHM O=S(=O)([N-]CCC1CCCCC1)C(F)F ZINC001259959837 992064584 /nfs/dbraw/zinc/06/45/84/992064584.db2.gz AYXFMWXRHDKWRG-UHFFFAOYSA-N -1 3 241.303 2.099 20 0 BEADHM CCN(C)Cc1ncc(Br)cc1[O-] ZINC000891571947 631393509 /nfs/dbraw/zinc/39/35/09/631393509.db2.gz JKYAIEREBNQBDX-UHFFFAOYSA-N -1 3 245.120 2.001 20 0 BEADHM CCCC1(C(=O)[N-]OCC(F)(F)F)CC1 ZINC000308826564 631673130 /nfs/dbraw/zinc/67/31/30/631673130.db2.gz SHAKUVIUUAVOLB-UHFFFAOYSA-N -1 3 225.210 2.177 20 0 BEADHM CC1(C)CC[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000309041787 631825156 /nfs/dbraw/zinc/82/51/56/631825156.db2.gz KJFWIHVMHJDFGX-RXMQYKEDSA-N -1 3 227.201 2.192 20 0 BEADHM Cc1noc(C)c1[C@H](C)Nc1cc(=O)[n-]c(C)n1 ZINC000164023184 633070195 /nfs/dbraw/zinc/07/01/95/633070195.db2.gz ZXLNWDBYORZPLK-LURJTMIESA-N -1 3 248.286 2.269 20 0 BEADHM CC[C@]1(C)CCCN(c2cc(=O)[n-]cn2)C1 ZINC000892724676 633197607 /nfs/dbraw/zinc/19/76/07/633197607.db2.gz ZCDRHPRQKWXZBW-GFCCVEGCSA-N -1 3 221.304 2.199 20 0 BEADHM CC[C@@H]1CC[C@@H](C)N1c1cc(=O)[n-]c(C)n1 ZINC000893093061 633829148 /nfs/dbraw/zinc/82/91/48/633829148.db2.gz UBRGDJNZGUGCMX-PSASIEDQSA-N -1 3 221.304 2.258 20 0 BEADHM Cc1nc(N2C[C@@H]3CCCC[C@@H]3C2)cc(=O)[n-]1 ZINC000310354668 634131622 /nfs/dbraw/zinc/13/16/22/634131622.db2.gz RNZOCJCVDGOSQS-PHIMTYICSA-N -1 3 233.315 2.117 20 0 BEADHM C[C@H](NCc1ccn(C)n1)c1cc([O-])cc(F)c1 ZINC000925658975 634224974 /nfs/dbraw/zinc/22/49/74/634224974.db2.gz AILVCJBGUNPZKX-VIFPVBQESA-N -1 3 249.289 2.116 20 0 BEADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ccsc1)C2 ZINC000931311612 634327576 /nfs/dbraw/zinc/32/75/76/634327576.db2.gz LPJOACCEHRTOQH-UHFFFAOYSA-N -1 3 247.323 2.068 20 0 BEADHM C[C@H](NC[C@@H]1C[C@H]1C)c1ncc(C(=O)[O-])s1 ZINC000314803617 635238888 /nfs/dbraw/zinc/23/88/88/635238888.db2.gz NNSGHBOLNMPVSZ-CSMHCCOUSA-N -1 3 240.328 2.148 20 0 BEADHM C[C@H]1CCCN(Cc2cccc(C(=O)[O-])n2)C1 ZINC000235669338 635584257 /nfs/dbraw/zinc/58/42/57/635584257.db2.gz GPBDHFQWQYLMHT-JTQLQIEISA-N -1 3 234.299 2.012 20 0 BEADHM Cc1coc(C[N-]c2nnc([C@@H]3CCCO3)o2)c1 ZINC000905408718 637799396 /nfs/dbraw/zinc/79/93/96/637799396.db2.gz VKZCIOWGATVJTK-JTQLQIEISA-N -1 3 249.270 2.435 20 0 BEADHM CCSc1ccccc1CC(=O)[N-]OC ZINC000905863105 637950838 /nfs/dbraw/zinc/95/08/38/637950838.db2.gz BZPFOIJHHGIZGP-UHFFFAOYSA-N -1 3 225.313 2.019 20 0 BEADHM COc1cccc([O-])c1C(=O)N1[C@H](C)C[C@H]1C ZINC000907877227 638498342 /nfs/dbraw/zinc/49/83/42/638498342.db2.gz YWZXOLIMJYDKMF-RKDXNWHRSA-N -1 3 235.283 2.024 20 0 BEADHM O=C([N-]OCCC1CC1)C1(C2CC2)CCC1 ZINC000908383632 638681103 /nfs/dbraw/zinc/68/11/03/638681103.db2.gz LFGHIFQVAAPUBK-UHFFFAOYSA-N -1 3 223.316 2.415 20 0 BEADHM CSc1nc(NC(=O)CCC2(C)CC2)n[n-]1 ZINC000931203897 640102756 /nfs/dbraw/zinc/10/27/56/640102756.db2.gz VIAPVRBWVQEASX-UHFFFAOYSA-N -1 3 240.332 2.045 20 0 BEADHM Cc1cccc(C(=O)Nc2ccc(F)nc2)c1[O-] ZINC000151468947 640393890 /nfs/dbraw/zinc/39/38/90/640393890.db2.gz VSMILSYFXPMHOW-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Cc1noc(C)c1[C@@H](C)Nc1cc(=O)[n-]c(C)n1 ZINC000164023074 640436860 /nfs/dbraw/zinc/43/68/60/640436860.db2.gz ZXLNWDBYORZPLK-ZCFIWIBFSA-N -1 3 248.286 2.269 20 0 BEADHM C[C@H]1CCN(Cc2cccs2)[C@@H](C(=O)[O-])C1 ZINC000229307489 640945922 /nfs/dbraw/zinc/94/59/22/640945922.db2.gz WMMJAPCYSNLRDG-GXSJLCMTSA-N -1 3 239.340 2.433 20 0 BEADHM Cc1ccoc1CN1CCC(CC(=O)[O-])CC1 ZINC000229553408 640966453 /nfs/dbraw/zinc/96/64/53/640966453.db2.gz LBPYNHANDZBFSK-UHFFFAOYSA-N -1 3 237.299 2.275 20 0 BEADHM CC(C)(C)OCCOC(=O)c1ccc([O-])cc1 ZINC000063895536 641257958 /nfs/dbraw/zinc/25/79/58/641257958.db2.gz PLXWZMKKSHROIQ-UHFFFAOYSA-N -1 3 238.283 2.364 20 0 BEADHM C[C@@H]1CN(Cc2ccc([O-])c(F)c2)C[C@H](C)O1 ZINC000232449583 641273631 /nfs/dbraw/zinc/27/36/31/641273631.db2.gz VYNNIALZARUOMR-AOOOYVTPSA-N -1 3 239.290 2.141 20 0 BEADHM CCn1cc(NCc2ccc([O-])c(F)c2)cn1 ZINC000232421570 641277304 /nfs/dbraw/zinc/27/73/04/641277304.db2.gz IJSILPSVEWFPFA-UHFFFAOYSA-N -1 3 235.262 2.360 20 0 BEADHM CC1(CCC(=O)[N-]OC/C=C\Cl)CC1 ZINC000936057812 641527016 /nfs/dbraw/zinc/52/70/16/641527016.db2.gz CKTUSEBCRGKZSI-UQCOIBPSSA-N -1 3 217.696 2.367 20 0 BEADHM O=C(COC(=O)c1cc2ccsc2[n-]1)C1CC1 ZINC000731698315 641813467 /nfs/dbraw/zinc/81/34/67/641813467.db2.gz KPBUTQALVYXGHX-UHFFFAOYSA-N -1 3 249.291 2.365 20 0 BEADHM O=C(OC[C@H]1CCCCO1)c1ccc([O-])cc1 ZINC000916584397 641954077 /nfs/dbraw/zinc/95/40/77/641954077.db2.gz BMQBFLVUTRHMAF-GFCCVEGCSA-N -1 3 236.267 2.118 20 0 BEADHM O=C(OC[C@@H]1CCCCO1)c1ccc([O-])cc1 ZINC000916584398 641954861 /nfs/dbraw/zinc/95/48/61/641954861.db2.gz BMQBFLVUTRHMAF-LBPRGKRZSA-N -1 3 236.267 2.118 20 0 BEADHM C/C=C\CSCCC[N-]C(=O)C(F)(F)F ZINC000255297172 642379118 /nfs/dbraw/zinc/37/91/18/642379118.db2.gz CQCXLAFQUKKPRF-IHWYPQMZSA-N -1 3 241.278 2.364 20 0 BEADHM CCCCCCNCc1cc(C(=O)[O-])no1 ZINC000232928486 642442665 /nfs/dbraw/zinc/44/26/65/642442665.db2.gz ZIJZTCOLNKELIA-UHFFFAOYSA-N -1 3 226.276 2.043 20 0 BEADHM CCO[N-]C(=O)CCc1ccccc1OCC ZINC000070273545 643010310 /nfs/dbraw/zinc/01/03/10/643010310.db2.gz JTOAJALUORPTOZ-UHFFFAOYSA-N -1 3 237.299 2.086 20 0 BEADHM CC[C@H](C)C[C@@H](C)NCc1cc(C(=O)[O-])no1 ZINC000233979668 643142356 /nfs/dbraw/zinc/14/23/56/643142356.db2.gz CCHBMNDLVFXBTK-DTWKUNHWSA-N -1 3 240.303 2.287 20 0 BEADHM Cc1cc(=O)[n-]c(CSC2CCCC2)n1 ZINC000083500383 643582850 /nfs/dbraw/zinc/58/28/50/643582850.db2.gz MVESFPRLLZOBDC-UHFFFAOYSA-N -1 3 224.329 2.254 20 0 BEADHM CCN(CC)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000082292577 644366437 /nfs/dbraw/zinc/36/64/37/644366437.db2.gz IFZQMWFGHHTGAN-BQYQJAHWSA-N -1 3 223.272 2.219 20 0 BEADHM C/C=C/CSCCC[N-]C(=O)C(F)(F)F ZINC000091618079 644633816 /nfs/dbraw/zinc/63/38/16/644633816.db2.gz CQCXLAFQUKKPRF-NSCUHMNNSA-N -1 3 241.278 2.364 20 0 BEADHM O=C(CCCc1ccsc1)[N-]OCC(F)F ZINC000759337000 644639227 /nfs/dbraw/zinc/63/92/27/644639227.db2.gz HXNIMYZGEAWSDI-UHFFFAOYSA-N -1 3 249.282 2.384 20 0 BEADHM CC(C)C[C@@H](C)CC(=O)[N-]OCC(F)F ZINC000759337118 644640003 /nfs/dbraw/zinc/64/00/03/644640003.db2.gz LJQLYOLAUQXNOR-MRVPVSSYSA-N -1 3 223.263 2.372 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CCC[C@@H](C)C1 ZINC000096785587 644836143 /nfs/dbraw/zinc/83/61/43/644836143.db2.gz JQGZHWQRBIIEAX-SNVBAGLBSA-N -1 3 249.310 2.273 20 0 BEADHM C[C@@H]1CCC[C@H]1CC(=O)[N-]OCC1CC1 ZINC000817354350 644972775 /nfs/dbraw/zinc/97/27/75/644972775.db2.gz JXOVQYRBVMHKFD-KOLCDFICSA-N -1 3 211.305 2.271 20 0 BEADHM CO[C@H]1CCC[C@H](CC(=O)[N-]OCC2CC2)C1 ZINC000817339781 644972861 /nfs/dbraw/zinc/97/28/61/644972861.db2.gz XGHRRDLJVIZZAV-RYUDHWBXSA-N -1 3 241.331 2.040 20 0 BEADHM CSCCCCC(=O)[N-]OCCC1CC1 ZINC000817372013 644977862 /nfs/dbraw/zinc/97/78/62/644977862.db2.gz FOHKLCUDFDYJCZ-UHFFFAOYSA-N -1 3 231.361 2.368 20 0 BEADHM Cc1cc(CN2[C@H](C)CC[C@@H]2C(=O)[O-])c(C)o1 ZINC000844933243 645349049 /nfs/dbraw/zinc/34/90/49/645349049.db2.gz DKTKAKCDNCWOGY-PRHODGIISA-N -1 3 237.299 2.334 20 0 BEADHM CCCO[N-]C(=O)C[C@H](C)c1ccco1 ZINC000862103535 645694215 /nfs/dbraw/zinc/69/42/15/645694215.db2.gz KZXMJZRXAWJIGN-VIFPVBQESA-N -1 3 211.261 2.231 20 0 BEADHM O=C(CCC(F)(F)F)[N-]OC1CCCC1 ZINC000135132894 645877246 /nfs/dbraw/zinc/87/72/46/645877246.db2.gz NSSQJEJEPDERGC-UHFFFAOYSA-N -1 3 225.210 2.319 20 0 BEADHM Cc1ccc(C(=O)N[C@@H]2C=CCC2)c([O-])c1 ZINC000829342828 645913610 /nfs/dbraw/zinc/91/36/10/645913610.db2.gz LLGAGCUKZJIVLU-SNVBAGLBSA-N -1 3 217.268 2.149 20 0 BEADHM CC[S@@](C)(=O)=NC(=O)c1cc2occc2[n-]1 ZINC000925834951 646502830 /nfs/dbraw/zinc/50/28/30/646502830.db2.gz JZUUHYXMUMBLNG-MRXNPFEDSA-N -1 3 240.284 2.019 20 0 BEADHM Cc1nc(N2CCCC[C@@H](C)C2)cc(=O)[n-]1 ZINC000703276987 712069530 /nfs/dbraw/zinc/06/95/30/712069530.db2.gz ZFMFUDXIRGMMQD-SECBINFHSA-N -1 3 221.304 2.117 20 0 BEADHM Cc1nc(NCC[C@H]2CCSC2)cc(=O)[n-]1 ZINC000704787952 712116815 /nfs/dbraw/zinc/11/68/15/712116815.db2.gz SJYQLEUNPMOUAZ-VIFPVBQESA-N -1 3 239.344 2.046 20 0 BEADHM C[C@H](CC1CCC1)Nc1cc(=O)[n-]cn1 ZINC000710294170 712250766 /nfs/dbraw/zinc/25/07/66/712250766.db2.gz ZCKUESNIKLMXTQ-MRVPVSSYSA-N -1 3 207.277 2.173 20 0 BEADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)CCCF ZINC000714953483 712503551 /nfs/dbraw/zinc/50/35/51/712503551.db2.gz KCJFYLRBAKFNEZ-MRVPVSSYSA-N -1 3 229.251 2.330 20 0 BEADHM CC/C=C\CNCc1ccoc1C(=O)[O-] ZINC000384735809 710953469 /nfs/dbraw/zinc/95/34/69/710953469.db2.gz KTSDTMHFRBEXGR-ARJAWSKDSA-N -1 3 209.245 2.034 20 0 BEADHM CC/C=C/CNCc1ccc(C(=O)[O-])o1 ZINC000384713142 710949545 /nfs/dbraw/zinc/94/95/45/710949545.db2.gz FBCAAQCXYBIXPJ-ONEGZZNKSA-N -1 3 209.245 2.034 20 0 BEADHM Cc1cc(C(=O)NCc2ncccc2[O-])cs1 ZINC000671839771 711929508 /nfs/dbraw/zinc/92/95/08/711929508.db2.gz BJWBOWVJAVGMCI-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM Cc1cc(=O)[n-]c(CSc2cccc(O)c2)n1 ZINC000700514941 711995210 /nfs/dbraw/zinc/99/52/10/711995210.db2.gz KPGSLLAZSIRMKY-UHFFFAOYSA-N -1 3 248.307 2.489 20 0 BEADHM COCCO[N-]C(=O)C[C@H](C)CC(C)(C)C ZINC000700590764 711999213 /nfs/dbraw/zinc/99/92/13/711999213.db2.gz UONVUDZFADWUSS-JTQLQIEISA-N -1 3 231.336 2.143 20 0 BEADHM C/C=C/CNCc1csc(C(=O)[O-])c1 ZINC000701777198 712028736 /nfs/dbraw/zinc/02/87/36/712028736.db2.gz JEDUEJVMLVGKBD-NSCUHMNNSA-N -1 3 211.286 2.112 20 0 BEADHM O=C([O-])c1ccc(CNCC2=CCCC2)o1 ZINC000702380818 712049261 /nfs/dbraw/zinc/04/92/61/712049261.db2.gz HQCBVKOMRXQWLP-UHFFFAOYSA-N -1 3 221.256 2.178 20 0 BEADHM Cc1oc(C(=O)[O-])cc1CN1CCC1(C)C ZINC000706931331 712161927 /nfs/dbraw/zinc/16/19/27/712161927.db2.gz ZTJZQVSCSNHYAP-UHFFFAOYSA-N -1 3 223.272 2.271 20 0 BEADHM O=C([O-])c1csc(CN2CC=CCC2)c1 ZINC000711405683 712297899 /nfs/dbraw/zinc/29/78/99/712297899.db2.gz CKEVNGVTGRUZQG-UHFFFAOYSA-N -1 3 223.297 2.208 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@H](CF)C2)c([O-])c1 ZINC000711468511 712302059 /nfs/dbraw/zinc/30/20/59/712302059.db2.gz ISGSSCRORYOBOK-SNVBAGLBSA-N -1 3 237.274 2.132 20 0 BEADHM O=C([O-])c1occc1CN1CCC[C@@H](CF)C1 ZINC000711452960 712304040 /nfs/dbraw/zinc/30/40/40/712304040.db2.gz HYDLMKBYVWQMDW-VIFPVBQESA-N -1 3 241.262 2.159 20 0 BEADHM COc1ccc(C(=O)NC[C@@H]2C=CCC2)c([O-])c1 ZINC000711666189 712318601 /nfs/dbraw/zinc/31/86/01/712318601.db2.gz IBNDCJQILBPIPS-SNVBAGLBSA-N -1 3 247.294 2.097 20 0 BEADHM CCCCCC[N-]S(=O)(=O)c1cscn1 ZINC000826879340 712592494 /nfs/dbraw/zinc/59/24/94/712592494.db2.gz IJOMXGWMAMLSPY-UHFFFAOYSA-N -1 3 248.373 2.002 20 0 BEADHM COc1ccc(C(=O)N[C@@H]2CC23CCC3)c([O-])c1 ZINC000721145543 712892693 /nfs/dbraw/zinc/89/26/93/712892693.db2.gz FNJUKJOMNUVNLE-GFCCVEGCSA-N -1 3 247.294 2.073 20 0 BEADHM CC[C@@H](C)CC(=O)[N-]OCCC(F)(F)F ZINC000686762984 960815997 /nfs/dbraw/zinc/81/59/97/960815997.db2.gz YDEWEYFIWUYBPM-SSDOTTSWSA-N -1 3 227.226 2.423 20 0 BEADHM CC[C@H](C)[C@H](C)NCc1ncc(C(=O)[O-])s1 ZINC000309426145 963349281 /nfs/dbraw/zinc/34/92/81/963349281.db2.gz INTVCSWKWGRJDI-YUMQZZPRSA-N -1 3 242.344 2.366 20 0 BEADHM C[C@@H]1CCN1Cc1sc(=O)[n-]c1Cl ZINC001237162410 966644621 /nfs/dbraw/zinc/64/46/21/966644621.db2.gz TYCKXEVIMFYMLN-RXMQYKEDSA-N -1 3 218.709 2.096 20 0 BEADHM CC(C)OC(=O)Cc1ccc(F)cc1[O-] ZINC001250086311 967352987 /nfs/dbraw/zinc/35/29/87/967352987.db2.gz QJIAMAQCSMUNCQ-UHFFFAOYSA-N -1 3 212.220 2.025 20 0 BEADHM CCOC(=O)CCc1cc([O-])cc(F)c1 ZINC000238270673 1166020945 /nfs/dbraw/zinc/02/09/45/1166020945.db2.gz LIVWOOHELJINAF-UHFFFAOYSA-N -1 3 212.220 2.027 20 0 BEADHM CCC[C@H](O)CNc1c([O-])cc(F)cc1F ZINC001252791683 968972971 /nfs/dbraw/zinc/97/29/71/968972971.db2.gz XSJAMTYTHQAWPX-QMMMGPOBSA-N -1 3 231.242 2.243 20 0 BEADHM CCC[C@@H](O)CNc1cc(F)c([O-])cc1F ZINC001252794541 968975717 /nfs/dbraw/zinc/97/57/17/968975717.db2.gz RMSUTEFINJMUHY-SSDOTTSWSA-N -1 3 231.242 2.243 20 0 BEADHM O=c1[nH]nccc1Nc1ccc(Cl)c([O-])c1 ZINC001212590632 969704655 /nfs/dbraw/zinc/70/46/55/969704655.db2.gz WJZOYYCNIFHWQW-UHFFFAOYSA-N -1 3 237.646 2.285 20 0 BEADHM CCc1nnc(-c2cc(OC)ccc2[O-])o1 ZINC001255060598 969867905 /nfs/dbraw/zinc/86/79/05/969867905.db2.gz CNFJWSFXLMLATM-UHFFFAOYSA-N -1 3 220.228 2.013 20 0 BEADHM CCOC(=O)[C@@H]1CCC[C@@H](NC2=CC=C[CH]2)C1 ZINC001255348399 970122755 /nfs/dbraw/zinc/12/27/55/970122755.db2.gz HSQZDTYNLUZZAN-DGCLKSJQSA-N -1 3 234.319 2.356 20 0 BEADHM CCC1(CNC(=O)c2c([O-])cccc2OC)CC1 ZINC000405394899 1166887373 /nfs/dbraw/zinc/88/73/73/1166887373.db2.gz NVBKYMLTOZBUNJ-UHFFFAOYSA-N -1 3 249.310 2.321 20 0 BEADHM Cc1ccc(-c2ccc(=S)[n-]n2)cn1 ZINC000235897734 1166919148 /nfs/dbraw/zinc/91/91/48/1166919148.db2.gz IEMYDAQWTDSYDP-UHFFFAOYSA-N -1 3 203.270 2.136 20 0 BEADHM Cc1cc(C)cc(NC(=O)c2cc(=O)[n-]cn2)c1 ZINC000585356353 1167031172 /nfs/dbraw/zinc/03/11/72/1167031172.db2.gz IVRWWGNGGOFKJP-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM CCO[C@@H](C)COc1[n-]c(=S)ncc1CC ZINC001227061472 975247582 /nfs/dbraw/zinc/24/75/82/975247582.db2.gz JHERGIHPNDNUAV-QMMMGPOBSA-N -1 3 242.344 2.132 20 0 BEADHM F[C@@H]1CCCC[C@@H]1Oc1ccnc(=S)[n-]1 ZINC001226939861 1167197243 /nfs/dbraw/zinc/19/72/43/1167197243.db2.gz JMUOCMSJYVGZET-SFYZADRCSA-N -1 3 228.292 2.425 20 0 BEADHM C[C@H]1OCC[C@H]1COc1ncc(Cl)cc1[O-] ZINC001227984396 975830982 /nfs/dbraw/zinc/83/09/82/975830982.db2.gz SRAGXRGIMHGXRF-SFYZADRCSA-N -1 3 243.690 2.244 20 0 BEADHM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]OCc1ccccn1 ZINC000909543650 1167312949 /nfs/dbraw/zinc/31/29/49/1167312949.db2.gz DTBDYXSJWUFUBQ-BXUZGUMPSA-N -1 3 248.326 2.456 20 0 BEADHM CCc1nc(O[C@H]2CC[C@H](C)C2)cc(=O)[n-]1 ZINC000721525696 977073769 /nfs/dbraw/zinc/07/37/69/977073769.db2.gz BZOLYTCXPRSVNF-IUCAKERBSA-N -1 3 222.288 2.312 20 0 BEADHM O=c1nc(OC2CCCC2)c2c([n-]1)CCS2 ZINC001230792338 977338418 /nfs/dbraw/zinc/33/84/18/977338418.db2.gz NTURRWAJBCOMGN-UHFFFAOYSA-N -1 3 238.312 2.152 20 0 BEADHM CO[C@@H]1CCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231733506 977716609 /nfs/dbraw/zinc/71/66/09/977716609.db2.gz WLIPCOURLDDMKL-SNVBAGLBSA-N -1 3 241.718 2.266 20 0 BEADHM Cc1cc(=O)[n-]c(NCC[C@@H]2CCSC2)n1 ZINC001337236589 978235833 /nfs/dbraw/zinc/23/58/33/978235833.db2.gz JGYNYRYVNCEHQD-SECBINFHSA-N -1 3 239.344 2.046 20 0 BEADHM CSCCN(C)Cc1ccc(F)c([O-])c1F ZINC001232939242 978350606 /nfs/dbraw/zinc/35/06/06/978350606.db2.gz IAWYVMIVGHAOGM-UHFFFAOYSA-N -1 3 247.310 2.465 20 0 BEADHM C[C@@H]1COCC[C@@H]1Oc1cccc([O-])c1F ZINC001233868874 978716165 /nfs/dbraw/zinc/71/61/65/978716165.db2.gz CIWBUPHTAKBQSC-SCZZXKLOSA-N -1 3 226.247 2.335 20 0 BEADHM C[C@H]1C[C@@H](Oc2cccc([O-])c2F)CCO1 ZINC001233872584 978719937 /nfs/dbraw/zinc/71/99/37/978719937.db2.gz VUOUSMVTARNQFB-IUCAKERBSA-N -1 3 226.247 2.478 20 0 BEADHM CC(C)CSc1ccncc1-c1nnn[n-]1 ZINC001603304464 979434376 /nfs/dbraw/zinc/43/43/76/979434376.db2.gz ZYVYYBZTUJHLEL-UHFFFAOYSA-N -1 3 235.316 2.010 20 0 BEADHM CC(C)CSc1ccncc1-c1nn[n-]n1 ZINC001603304464 979434392 /nfs/dbraw/zinc/43/43/92/979434392.db2.gz ZYVYYBZTUJHLEL-UHFFFAOYSA-N -1 3 235.316 2.010 20 0 BEADHM C[C@@H]1CC(=O)CCN1Cc1occc1[S-] ZINC001237181009 979833670 /nfs/dbraw/zinc/83/36/70/979833670.db2.gz LGFZUDMVLOVFEP-MRVPVSSYSA-N -1 3 225.313 2.122 20 0 BEADHM O=C1CN(Cc2occc2[S-])CCC[C@H]1F ZINC001237183163 979834039 /nfs/dbraw/zinc/83/40/39/979834039.db2.gz WIXIGMHWPDNDRZ-MRVPVSSYSA-N -1 3 243.303 2.071 20 0 BEADHM CC(C)CC(=O)C(=O)Nc1ccc(F)c([O-])c1 ZINC001184329723 980029699 /nfs/dbraw/zinc/02/96/99/980029699.db2.gz CBTPIVOJYWESNM-UHFFFAOYSA-N -1 3 239.246 2.085 20 0 BEADHM NC(=O)c1cc(-c2cc([O-])cc(F)c2)ccc1F ZINC001241270794 1168464771 /nfs/dbraw/zinc/46/47/71/1168464771.db2.gz AAOBBJIGAUFIPA-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM CC[C@H]1CCN1Cc1csc(C(=O)[O-])c1 ZINC001595468374 981161784 /nfs/dbraw/zinc/16/17/84/981161784.db2.gz UONANVBHWTUQAG-VIFPVBQESA-N -1 3 225.313 2.431 20 0 BEADHM CCC[C@H](CNc1nc(C)cc(=O)[n-]1)OCC ZINC001348259420 981320320 /nfs/dbraw/zinc/32/03/20/981320320.db2.gz JYVHMGVDOBYHSI-SNVBAGLBSA-N -1 3 239.319 2.108 20 0 BEADHM [O-]c1cc(F)cc(-c2cnc(F)nc2)c1 ZINC001241266961 982403432 /nfs/dbraw/zinc/40/34/32/982403432.db2.gz PVDXRNQFEUFZOV-UHFFFAOYSA-N -1 3 208.167 2.127 20 0 BEADHM C[C@H]([NH2+]CCCC(=O)[O-])c1cccc([O-])c1F ZINC001589128941 982625653 /nfs/dbraw/zinc/62/56/53/982625653.db2.gz WMGRVCQWZNIWMC-QMMMGPOBSA-N -1 3 241.262 2.047 20 0 BEADHM C=CS(=O)(=O)[N-]c1cccc(C(C)C)n1 ZINC001198569545 982757826 /nfs/dbraw/zinc/75/78/26/982757826.db2.gz FIYYZDNVOKONHZ-UHFFFAOYSA-N -1 3 226.301 2.090 20 0 BEADHM CC[C@@H](F)C(=O)Nc1cc(F)ccc1[O-] ZINC001353619662 982928674 /nfs/dbraw/zinc/92/86/74/982928674.db2.gz FLTJMADAMVHALY-SSDOTTSWSA-N -1 3 215.199 2.218 20 0 BEADHM CSCc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001591699986 983080494 /nfs/dbraw/zinc/08/04/94/983080494.db2.gz NHFRXVMOGIVTQJ-UHFFFAOYSA-N -1 3 220.301 2.038 20 0 BEADHM CSCc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001591699986 983080504 /nfs/dbraw/zinc/08/05/04/983080504.db2.gz NHFRXVMOGIVTQJ-UHFFFAOYSA-N -1 3 220.301 2.038 20 0 BEADHM Cc1ccc(C(=O)NC/C=C/Cl)c([O-])c1 ZINC001472263087 983169716 /nfs/dbraw/zinc/16/97/16/983169716.db2.gz OBMOOAVIEPOXSG-GORDUTHDSA-N -1 3 225.675 2.183 20 0 BEADHM Cc1cc(O)cc(Nc2cnc(C)[n-]c2=O)c1 ZINC001215511626 970774893 /nfs/dbraw/zinc/77/48/93/970774893.db2.gz OMWGLUCUVYUVJY-UHFFFAOYSA-N -1 3 231.255 2.248 20 0 BEADHM [O-]c1cccc(-c2c[nH]cc3ncnc2-3)c1F ZINC001243545803 970794283 /nfs/dbraw/zinc/79/42/83/970794283.db2.gz BTPNBOVLSQVGTN-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM Cc1ncc(Nc2c(F)ccc(C)c2O)c(=O)[n-]1 ZINC001215739430 970823187 /nfs/dbraw/zinc/82/31/87/970823187.db2.gz OAJHSWHKXPVPMO-UHFFFAOYSA-N -1 3 249.245 2.387 20 0 BEADHM Cc1ncncc1-c1ccc([O-])cc1F ZINC001206057757 970870804 /nfs/dbraw/zinc/87/08/04/970870804.db2.gz MPQMRUGVHHRUSB-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Cc1nc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc(=O)[n-]1 ZINC000403333784 970916470 /nfs/dbraw/zinc/91/64/70/970916470.db2.gz ASPIQWYTQYKLRE-OPRDCNLKSA-N -1 3 219.288 2.091 20 0 BEADHM Cc1nsc([N-]c2ccc(CO)cc2F)n1 ZINC001216270159 971012666 /nfs/dbraw/zinc/01/26/66/971012666.db2.gz KFTNRPGVGCWWSS-UHFFFAOYSA-N -1 3 239.275 2.222 20 0 BEADHM Cc1cc(Nc2nccn2C)cc(C)c1C(=O)[O-] ZINC001216307950 971028789 /nfs/dbraw/zinc/02/87/89/971028789.db2.gz MUPRWZLVEABIFA-UHFFFAOYSA-N -1 3 245.282 2.479 20 0 BEADHM CC(C)C[C@@H](C)Nc1cc(-c2nnn[n-]2)ccn1 ZINC000103584734 944621755 /nfs/dbraw/zinc/62/17/55/944621755.db2.gz ONNLNLXANMDCHV-SECBINFHSA-N -1 3 246.318 2.108 20 0 BEADHM CC(C)C[C@@H](C)Nc1cc(-c2nn[n-]n2)ccn1 ZINC000103584734 944621759 /nfs/dbraw/zinc/62/17/59/944621759.db2.gz ONNLNLXANMDCHV-SECBINFHSA-N -1 3 246.318 2.108 20 0 BEADHM COc1nonc1[N-]c1ccc2onc(C)c2c1 ZINC001216637773 971144344 /nfs/dbraw/zinc/14/43/44/971144344.db2.gz KDSIZPUIMVFLBF-UHFFFAOYSA-N -1 3 246.226 2.271 20 0 BEADHM COc1cccc([O-])c1C(=O)N(C)CCC1CC1 ZINC000405280011 971226653 /nfs/dbraw/zinc/22/66/53/971226653.db2.gz AXPSBIADZHZPRU-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM COc1cccc([O-])c1C(=O)NC[C@H](C)C1CC1 ZINC000405300628 971230304 /nfs/dbraw/zinc/23/03/04/971230304.db2.gz SBQKLFMNNSIGFU-VIFPVBQESA-N -1 3 249.310 2.177 20 0 BEADHM COc1cccc([O-])c1C(=O)N[C@H]1CCC1(C)C ZINC000405306759 971233546 /nfs/dbraw/zinc/23/35/46/971233546.db2.gz XWTLHQLRFFOXJE-NSHDSACASA-N -1 3 249.310 2.319 20 0 BEADHM COc1cccc([O-])c1C(=O)N[C@@H]1CC[C@H](C)C1 ZINC000405369886 971249310 /nfs/dbraw/zinc/24/93/10/971249310.db2.gz YLLZBHBUHKSYJE-VHSXEESVSA-N -1 3 249.310 2.319 20 0 BEADHM Cc1cc(-c2cccc(N)n2)cc([O-])c1F ZINC001244505703 971314420 /nfs/dbraw/zinc/31/44/20/971314420.db2.gz IIUWJHWUEBCBAL-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM CC[C@@H](N[C@@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000134965482 949334394 /nfs/dbraw/zinc/33/43/94/949334394.db2.gz SGKLVNGOLOOAGK-OIBJUYFYSA-N -1 3 243.253 2.479 20 0 BEADHM Cc1oc(C(=O)[O-])cc1CNCCC(C)(F)F ZINC000379269748 971626357 /nfs/dbraw/zinc/62/63/57/971626357.db2.gz USUALSSLKGGFAH-UHFFFAOYSA-N -1 3 247.241 2.421 20 0 BEADHM CC[C@@H]1C[C@H](CC(=O)[N-]OC(C)C)CCO1 ZINC001330658534 974392633 /nfs/dbraw/zinc/39/26/33/974392633.db2.gz CXLVBVVDUWBFRT-GHMZBOCLSA-N -1 3 229.320 2.038 20 0 BEADHM O=C([O-])c1cnc(CNCCC2CCC2)s1 ZINC000381171416 971744541 /nfs/dbraw/zinc/74/45/41/971744541.db2.gz UFJGAAUQLPCLAV-UHFFFAOYSA-N -1 3 240.328 2.121 20 0 BEADHM CC1(C)CN(Cc2ccccc2C(=O)[O-])C1 ZINC000309893864 971873840 /nfs/dbraw/zinc/87/38/40/971873840.db2.gz FTIVSAGSDIWUTI-UHFFFAOYSA-N -1 3 219.284 2.227 20 0 BEADHM F[C@H]1COCC[C@@H]1Oc1nc2ccsc2[n-]1 ZINC001234856367 1169696851 /nfs/dbraw/zinc/69/68/51/1169696851.db2.gz WXXJKHMAVXXMEN-XPUUQOCRSA-N -1 3 242.275 2.130 20 0 BEADHM F[C@H]1COCC[C@@H]1Oc1nc2sccc2[n-]1 ZINC001234856367 1169696853 /nfs/dbraw/zinc/69/68/53/1169696853.db2.gz WXXJKHMAVXXMEN-XPUUQOCRSA-N -1 3 242.275 2.130 20 0 BEADHM Cc1cc([N-]C(=O)c2conc2C2CC2)no1 ZINC001135771238 971973001 /nfs/dbraw/zinc/97/30/01/971973001.db2.gz HVACOOPWSFPUBG-UHFFFAOYSA-N -1 3 233.227 2.101 20 0 BEADHM Nc1cc(-c2cc([O-])cc(F)c2)ccn1 ZINC001241272029 1169714244 /nfs/dbraw/zinc/71/42/44/1169714244.db2.gz LYKMRGHVNFEGRH-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM Cn1ccc2nc(-c3cc([O-])cc(F)c3)cnc21 ZINC001241271769 1169714425 /nfs/dbraw/zinc/71/44/25/1169714425.db2.gz KBIHHASXBJXFAV-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM [O-]c1cc(F)cc(-c2ccn3ncnc3c2)c1 ZINC001241271354 1169716560 /nfs/dbraw/zinc/71/65/60/1169716560.db2.gz DMDMJDRRVCBYJJ-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM CCCNC(=O)c1c([O-])cnc2ccc(C)cc21 ZINC001220238292 972192945 /nfs/dbraw/zinc/19/29/45/972192945.db2.gz QPSGTRBDDDGYLW-UHFFFAOYSA-N -1 3 244.294 2.389 20 0 BEADHM CN(Cc1cccs1)C(C)(C)C(=O)[O-] ZINC000041875709 957399602 /nfs/dbraw/zinc/39/96/02/957399602.db2.gz KZBLMYVPCJGZBK-UHFFFAOYSA-N -1 3 213.302 2.043 20 0 BEADHM CCOc1cc([N-]c2ncccc2F)no1 ZINC001209809763 957538489 /nfs/dbraw/zinc/53/84/89/957538489.db2.gz GHMLFOUZDBJSAJ-UHFFFAOYSA-N -1 3 223.207 2.351 20 0 BEADHM [O-]c1cc(Nc2ccnnc2)c(F)cc1F ZINC001209961090 957582198 /nfs/dbraw/zinc/58/21/98/957582198.db2.gz BZBJRKAQKUTFKI-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM Cc1cccc(Nc2cc(=O)[n-]c(=S)[nH]2)c1O ZINC001210187296 957653796 /nfs/dbraw/zinc/65/37/96/957653796.db2.gz KGZMKKLIHIHHDG-UHFFFAOYSA-N -1 3 249.295 2.229 20 0 BEADHM Cc1cc(=N)n(-c2cccc([O-])c2Cl)cc1N ZINC001210855761 957919161 /nfs/dbraw/zinc/91/91/61/957919161.db2.gz VRWNLMKODFDGKN-UHFFFAOYSA-N -1 3 249.701 2.206 20 0 BEADHM CC[C@@](C)(NC/C(Cl)=C/Cl)C(=O)[O-] ZINC000086799456 957993146 /nfs/dbraw/zinc/99/31/46/957993146.db2.gz WNCOHYFKDNCBBU-RZAAKKIOSA-N -1 3 226.103 2.148 20 0 BEADHM COCc1cncc(Nc2ncc(F)cc2[O-])c1 ZINC001211078812 958019846 /nfs/dbraw/zinc/01/98/46/958019846.db2.gz UFLIEOHYQHAGFM-UHFFFAOYSA-N -1 3 249.245 2.211 20 0 BEADHM CSCCN(C)Cc1ccc([O-])c(F)c1F ZINC001140892620 960670074 /nfs/dbraw/zinc/67/00/74/960670074.db2.gz UMRHAUGDSOZNLK-UHFFFAOYSA-N -1 3 247.310 2.465 20 0 BEADHM O=C(Cc1ccncc1)Nc1ccc(F)c([O-])c1 ZINC001142182612 961314199 /nfs/dbraw/zinc/31/41/99/961314199.db2.gz XHYHMODBUNFIFH-UHFFFAOYSA-N -1 3 246.241 2.108 20 0 BEADHM O=C1CCCC[C@@H]1Oc1ccc2c([O-])coc2c1 ZINC001225340342 962076563 /nfs/dbraw/zinc/07/65/63/962076563.db2.gz JLDMGMKIOIECHK-ZDUSSCGKSA-N -1 3 246.262 2.152 20 0 BEADHM CC[C@@H](C)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001168003058 963239336 /nfs/dbraw/zinc/23/93/36/963239336.db2.gz GVRFKWBKGNGQDJ-MRVPVSSYSA-N -1 3 247.302 2.086 20 0 BEADHM CC[C@@H](C)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001168003058 963239345 /nfs/dbraw/zinc/23/93/45/963239345.db2.gz GVRFKWBKGNGQDJ-MRVPVSSYSA-N -1 3 247.302 2.086 20 0 BEADHM C[C@@H]1CCC[C@H](Oc2ccc(=O)[n-]n2)C1 ZINC001227093523 963452728 /nfs/dbraw/zinc/45/27/28/963452728.db2.gz NJLIHIGQBJCOQE-BDAKNGLRSA-N -1 3 208.261 2.140 20 0 BEADHM Cc1c(F)ccnc1NCc1ncccc1[O-] ZINC001158774539 963925833 /nfs/dbraw/zinc/92/58/33/963925833.db2.gz MUBWEQJQFFJQLR-UHFFFAOYSA-N -1 3 233.246 2.242 20 0 BEADHM [O-]c1ccc(Nc2ncco2)c(F)c1F ZINC001211997936 964146188 /nfs/dbraw/zinc/14/61/88/964146188.db2.gz SWOVKZUUBBZPDP-UHFFFAOYSA-N -1 3 212.155 2.402 20 0 BEADHM CSCCN(C)Cc1cc(F)c([O-])c(F)c1 ZINC000093509709 964160945 /nfs/dbraw/zinc/16/09/45/964160945.db2.gz WIMACCVDRZBFOV-UHFFFAOYSA-N -1 3 247.310 2.465 20 0 BEADHM CC(C)CNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001161651397 964662592 /nfs/dbraw/zinc/66/25/92/964662592.db2.gz ZXCYGDCFKACPOL-UHFFFAOYSA-N -1 3 235.266 2.074 20 0 BEADHM CC(C)CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001161651397 964662596 /nfs/dbraw/zinc/66/25/96/964662596.db2.gz ZXCYGDCFKACPOL-UHFFFAOYSA-N -1 3 235.266 2.074 20 0 BEADHM Cc1cc(Nc2cnc(C)[n-]c2=O)cnc1F ZINC001212183423 965282657 /nfs/dbraw/zinc/28/26/57/965282657.db2.gz DXBQEQHYOSLDAS-UHFFFAOYSA-N -1 3 234.234 2.077 20 0 BEADHM CC[C@H](C)Oc1ccc2occ([O-])c2c1 ZINC001233679163 965560176 /nfs/dbraw/zinc/56/01/76/965560176.db2.gz ZSBPBPJTSZDOSS-QMMMGPOBSA-N -1 3 206.241 2.439 20 0 BEADHM O=C1CCCC[C@@H]1Oc1cccc([O-])c1F ZINC001233870131 965597299 /nfs/dbraw/zinc/59/72/99/965597299.db2.gz VLPXTYVQVAEMIY-JTQLQIEISA-N -1 3 224.231 2.422 20 0 BEADHM C[C@H](Oc1cccc([O-])c1F)c1ncccn1 ZINC001233867160 965598104 /nfs/dbraw/zinc/59/81/04/965598104.db2.gz COLTZSWJVGOFDL-QMMMGPOBSA-N -1 3 234.230 2.461 20 0 BEADHM CCO[C@H](C)COc1nc2c(cccc2[O-])[nH]1 ZINC001234445875 965825250 /nfs/dbraw/zinc/82/52/50/965825250.db2.gz DKWHKJMMCNZTJR-MRVPVSSYSA-N -1 3 236.271 2.072 20 0 BEADHM CCOc1ccc([N-]c2nnco2)c(OC)c1 ZINC001213115248 965996535 /nfs/dbraw/zinc/99/65/35/965996535.db2.gz QMIYBDLACISQLL-UHFFFAOYSA-N -1 3 235.243 2.221 20 0 BEADHM S=c1ccc(NCCCc2ccncc2)n[n-]1 ZINC001165500430 966108545 /nfs/dbraw/zinc/10/85/45/966108545.db2.gz YKQWEDASNDYTPK-UHFFFAOYSA-N -1 3 246.339 2.205 20 0 BEADHM [O-]c1cccc(NC2=CCOC2)c1Cl ZINC001203391261 966629783 /nfs/dbraw/zinc/62/97/83/966629783.db2.gz STPGFJSDBROVHV-UHFFFAOYSA-N -1 3 211.648 2.372 20 0 BEADHM CNc1ccc(Nc2ncc(F)cc2[O-])cn1 ZINC001203451881 966651673 /nfs/dbraw/zinc/65/16/73/966651673.db2.gz FMOBZPDAMORHLM-UHFFFAOYSA-N -1 3 234.234 2.107 20 0 BEADHM CCc1nc(OC)ccc1[N-]c1nnc(C)o1 ZINC001203586356 966702616 /nfs/dbraw/zinc/70/26/16/966702616.db2.gz XGDVIUHZXWCNFH-UHFFFAOYSA-N -1 3 234.259 2.088 20 0 BEADHM COc1cc(Nc2ncc(F)cc2[O-])ccc1N ZINC001249719504 967035323 /nfs/dbraw/zinc/03/53/23/967035323.db2.gz LFFYDPPSIUZLGT-UHFFFAOYSA-N -1 3 249.245 2.261 20 0 BEADHM Fc1ccc(-c2ccncc2)cc1-c1nnn[n-]1 ZINC001239610857 967042018 /nfs/dbraw/zinc/04/20/18/967042018.db2.gz BVIUKFRTWXSUAQ-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1ccc(-c2ccncc2)cc1-c1nn[n-]n1 ZINC001239610857 967042027 /nfs/dbraw/zinc/04/20/27/967042027.db2.gz BVIUKFRTWXSUAQ-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1cc(-c2ccoc2)ccc1-c1nnn[n-]1 ZINC001239690565 967086852 /nfs/dbraw/zinc/08/68/52/967086852.db2.gz JSWRBVZDIYMHIH-UHFFFAOYSA-N -1 3 230.202 2.266 20 0 BEADHM Fc1cc(-c2ccoc2)ccc1-c1nn[n-]n1 ZINC001239690565 967086862 /nfs/dbraw/zinc/08/68/62/967086862.db2.gz JSWRBVZDIYMHIH-UHFFFAOYSA-N -1 3 230.202 2.266 20 0 BEADHM [O-]c1c(F)cc(F)cc1Nc1ccon1 ZINC001212477427 967484536 /nfs/dbraw/zinc/48/45/36/967484536.db2.gz DMWCUBLYHNXTFU-UHFFFAOYSA-N -1 3 212.155 2.402 20 0 BEADHM Cc1ccnc(-c2ccc([O-])cc2F)n1 ZINC000715771342 967600010 /nfs/dbraw/zinc/60/00/10/967600010.db2.gz LVCUJKFTUIMMSB-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM [O-]c1cc(F)cc(-c2ccnc3ccnn32)c1 ZINC001250479045 967919817 /nfs/dbraw/zinc/91/98/17/967919817.db2.gz BTXDAFWTVHDCRR-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM NC(=O)c1ccccc1-c1cccc([O-])c1F ZINC001250609922 968156046 /nfs/dbraw/zinc/15/60/46/968156046.db2.gz OIJCMSJCJBLIEZ-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM NC(=O)c1ccccc1-c1c([O-])cccc1F ZINC001250610979 968157937 /nfs/dbraw/zinc/15/79/37/968157937.db2.gz XARVTWBTOUTMFP-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM NC(=O)c1ccccc1-c1ccc(F)c([O-])c1 ZINC001250610545 968158109 /nfs/dbraw/zinc/15/81/09/968158109.db2.gz OYCMHBIRIAKSIK-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM C[C@H](O)CNc1cc(Cl)cc(Cl)c1[O-] ZINC001251967647 968409482 /nfs/dbraw/zinc/40/94/82/968409482.db2.gz SJHNGWZSKRVYSB-YFKPBYRVSA-N -1 3 236.098 2.492 20 0 BEADHM CCCC[C@@H](O)CNc1ccnc(Cl)c1[O-] ZINC001252082243 968500863 /nfs/dbraw/zinc/50/08/63/968500863.db2.gz NMUCDJWDVRZWPJ-MRVPVSSYSA-N -1 3 244.722 2.404 20 0 BEADHM CCCc1nnc(-c2cc(OC)ccc2[O-])o1 ZINC001253938441 969424629 /nfs/dbraw/zinc/42/46/29/969424629.db2.gz HEBYAORFQJRKTC-UHFFFAOYSA-N -1 3 234.255 2.403 20 0 BEADHM Cn1ccnc1Nc1cc(F)cc(C(=O)[O-])c1 ZINC001209887698 969681009 /nfs/dbraw/zinc/68/10/09/969681009.db2.gz OBRRLYVOOOCFRR-UHFFFAOYSA-N -1 3 235.218 2.001 20 0 BEADHM O=c1[n-]cncc1Nc1cccc2cc[nH]c21 ZINC001210211699 969835997 /nfs/dbraw/zinc/83/59/97/969835997.db2.gz MJMVBRPEOQNGGX-UHFFFAOYSA-N -1 3 226.239 2.407 20 0 BEADHM CCc1cccnc1NCc1ncccc1[O-] ZINC001169732122 969836655 /nfs/dbraw/zinc/83/66/55/969836655.db2.gz IGOQVSXZJJVNMT-UHFFFAOYSA-N -1 3 229.283 2.357 20 0 BEADHM [O-]c1cccnc1CNc1ccc2c(c1)CCO2 ZINC001169731981 969838126 /nfs/dbraw/zinc/83/81/26/969838126.db2.gz VIWSULNZOKFXRB-UHFFFAOYSA-N -1 3 242.278 2.334 20 0 BEADHM Cc1ncc(Nc2ccn(C(C)C)n2)c(=O)[n-]1 ZINC001210342154 969869979 /nfs/dbraw/zinc/86/99/79/969869979.db2.gz QWRKOBFPVJWLRX-UHFFFAOYSA-N -1 3 233.275 2.012 20 0 BEADHM Nc1ccc(-c2ccc([O-])cc2F)nc1 ZINC001206021877 969871619 /nfs/dbraw/zinc/87/16/19/969871619.db2.gz SERYLDGNWOHFRU-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM Cc1nc(Nc2cccc([C@@H](C)O)c2)cc(=O)[n-]1 ZINC001210504087 969914084 /nfs/dbraw/zinc/91/40/84/969914084.db2.gz SMGPCYYTEJMMAW-MRVPVSSYSA-N -1 3 245.282 2.288 20 0 BEADHM c1cc2c(c([N-]c3nonc3C3CC3)c1)OCO2 ZINC001210558928 969942318 /nfs/dbraw/zinc/94/23/18/969942318.db2.gz XGXWKKXGNZUQSN-UHFFFAOYSA-N -1 3 245.238 2.419 20 0 BEADHM CCOc1cccc(-c2nnc(CC)o2)c1[O-] ZINC001255144521 969949941 /nfs/dbraw/zinc/94/99/41/969949941.db2.gz FMPSNNBVAJQXTP-UHFFFAOYSA-N -1 3 234.255 2.403 20 0 BEADHM CCOc1cncc(Nc2cc(=O)[n-]c(C)n2)c1 ZINC001210658948 969994866 /nfs/dbraw/zinc/99/48/66/969994866.db2.gz FDTLCTMJOTXTKJ-UHFFFAOYSA-N -1 3 246.270 2.028 20 0 BEADHM Cn1ncc(N)c1Nc1cccc([O-])c1Cl ZINC001210854086 970053825 /nfs/dbraw/zinc/05/38/25/970053825.db2.gz ZDFNXDYMIARLIM-UHFFFAOYSA-N -1 3 238.678 2.105 20 0 BEADHM O=c1[nH]cncc1Nc1cccc([O-])c1Cl ZINC001210853742 970055097 /nfs/dbraw/zinc/05/50/97/970055097.db2.gz HMEUHAURRZHVRH-UHFFFAOYSA-N -1 3 237.646 2.285 20 0 BEADHM O=c1[n-]cncc1Nc1cccc(OC2CC2)c1 ZINC001210861186 970056333 /nfs/dbraw/zinc/05/63/33/970056333.db2.gz UQRADIIAJKARLJ-UHFFFAOYSA-N -1 3 243.266 2.467 20 0 BEADHM O=C1CCCc2nc([N-]c3ccncn3)sc21 ZINC001211022823 970118075 /nfs/dbraw/zinc/11/80/75/970118075.db2.gz KDPXQBIISGOXHS-UHFFFAOYSA-N -1 3 246.295 2.196 20 0 BEADHM Nc1c2c(nn1-c1ccc(F)c([O-])c1)CCCC2 ZINC001211215642 970175829 /nfs/dbraw/zinc/17/58/29/970175829.db2.gz YBHGLYDFWNESEG-UHFFFAOYSA-N -1 3 247.273 2.178 20 0 BEADHM Cn1cnc([N-]c2ccc(Cl)nc2Cl)n1 ZINC001211271006 970214736 /nfs/dbraw/zinc/21/47/36/970214736.db2.gz IGFMTUDTKCNMCW-UHFFFAOYSA-N -1 3 244.085 2.261 20 0 BEADHM Cc1cc(C)c(Nc2cc(=O)[n-]c(C)n2)cn1 ZINC001213506044 970334889 /nfs/dbraw/zinc/33/48/89/970334889.db2.gz ZTHFWLQEPJGOIW-UHFFFAOYSA-N -1 3 230.271 2.246 20 0 BEADHM Cc1nc(Nc2cncc(C)c2C)cc(=O)[n-]1 ZINC001213523692 970345410 /nfs/dbraw/zinc/34/54/10/970345410.db2.gz ZMCJPMMOOOIDPX-UHFFFAOYSA-N -1 3 230.271 2.246 20 0 BEADHM Cn1ccnc1Nc1ccc(CCC(=O)[O-])cc1 ZINC001213619593 970364907 /nfs/dbraw/zinc/36/49/07/970364907.db2.gz OYMWFJQXMTVKNP-UHFFFAOYSA-N -1 3 245.282 2.181 20 0 BEADHM Nc1cc(Cl)ccc1Nc1cnc[n-]c1=O ZINC001213649456 970369105 /nfs/dbraw/zinc/36/91/05/970369105.db2.gz JDAUTILMFUVCNB-UHFFFAOYSA-N -1 3 236.662 2.161 20 0 BEADHM [O-]c1ccccc1-c1nnc(C2CCOCC2)o1 ZINC001255644376 970415968 /nfs/dbraw/zinc/41/59/68/970415968.db2.gz NOJPDLVLCSDQFS-UHFFFAOYSA-N -1 3 246.266 2.336 20 0 BEADHM Cc1cnc([N-]c2c(F)cc(CO)cc2F)o1 ZINC001214086409 970429916 /nfs/dbraw/zinc/42/99/16/970429916.db2.gz ZQKQYPNSKLLUNT-UHFFFAOYSA-N -1 3 240.209 2.497 20 0 BEADHM Cc1ccc(O)c(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001214219090 970470542 /nfs/dbraw/zinc/47/05/42/970470542.db2.gz UDLMBRVYKAULOT-UHFFFAOYSA-N -1 3 249.295 2.229 20 0 BEADHM Cc1ccc(O)cc1Nc1cc(=O)[n-]c(C)n1 ZINC001214339016 970485829 /nfs/dbraw/zinc/48/58/29/970485829.db2.gz MLWYQQMIJLZLPE-UHFFFAOYSA-N -1 3 231.255 2.248 20 0 BEADHM Cc1nnc([N-]c2ccc(Cl)cc2O)o1 ZINC001214399919 970494169 /nfs/dbraw/zinc/49/41/69/970494169.db2.gz HEVFOZDYJVCDDK-UHFFFAOYSA-N -1 3 225.635 2.481 20 0 BEADHM Cn1cc(Nc2c(Cl)ccc([O-])c2F)nn1 ZINC001214556231 970513724 /nfs/dbraw/zinc/51/37/24/970513724.db2.gz LVHITCDHTCBBNT-UHFFFAOYSA-N -1 3 242.641 2.057 20 0 BEADHM COc1ccc(C)c(F)c1Nc1cnc[n-]c1=O ZINC001214627928 970518947 /nfs/dbraw/zinc/51/89/47/970518947.db2.gz WDLVXYADRJNASV-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM COCOc1c(C)cccc1[N-]c1nnc(C)o1 ZINC001214842491 970537733 /nfs/dbraw/zinc/53/77/33/970537733.db2.gz SGHUGAUJPIIUPL-UHFFFAOYSA-N -1 3 249.270 2.413 20 0 BEADHM CC(=O)c1cc(Nc2cnc(C)[n-]c2=O)cs1 ZINC001214778121 970539964 /nfs/dbraw/zinc/53/99/64/970539964.db2.gz CRBYSUPLHLDXDH-UHFFFAOYSA-N -1 3 249.295 2.498 20 0 BEADHM O=C([N-][C@H]1CCC[C@H](F)C1)C(F)(F)C(F)F ZINC001328536956 973124441 /nfs/dbraw/zinc/12/44/41/973124441.db2.gz ZJQPAITXSGAXGB-WDSKDSINSA-N -1 3 245.191 2.284 20 0 BEADHM CC(=O)c1cccc([O-])c1NC(=O)C1CC=CC1 ZINC001146698368 973198993 /nfs/dbraw/zinc/19/89/93/973198993.db2.gz LVNQMKPQYNQJNV-UHFFFAOYSA-N -1 3 245.278 2.500 20 0 BEADHM O=C(Nc1ccc(F)c([O-])c1)c1ccco1 ZINC001147096326 973430090 /nfs/dbraw/zinc/43/00/90/973430090.db2.gz IQLCQPLJWRACMQ-UHFFFAOYSA-N -1 3 221.187 2.377 20 0 BEADHM Cc1cccc(C(=O)Nc2ccc(F)c([O-])c2)n1 ZINC001147215256 973487217 /nfs/dbraw/zinc/48/72/17/973487217.db2.gz RBHPGGXUBWEMQZ-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM O=C(Nc1ccc(F)c([O-])c1)c1cscn1 ZINC001147368161 973567100 /nfs/dbraw/zinc/56/71/00/973567100.db2.gz PTQQNYZZWKBMAN-UHFFFAOYSA-N -1 3 238.243 2.240 20 0 BEADHM C[C@@]1(C(=O)[O-])CCCN1CC=C(Cl)Cl ZINC000403317505 973671590 /nfs/dbraw/zinc/67/15/90/973671590.db2.gz GJSULQYKMDDMHD-VIFPVBQESA-N -1 3 238.114 2.245 20 0 BEADHM CN(CCC(C)(C)C(=O)[O-])Cc1ccns1 ZINC000404690208 973742628 /nfs/dbraw/zinc/74/26/28/973742628.db2.gz RLKHBKOPHQPHPL-UHFFFAOYSA-N -1 3 242.344 2.076 20 0 BEADHM Cc1ccc(C(=O)N[C@@H](C)c2ccno2)c([O-])c1 ZINC001148507165 973854942 /nfs/dbraw/zinc/85/49/42/973854942.db2.gz CBZYCYZNARQXAL-VIFPVBQESA-N -1 3 246.266 2.180 20 0 BEADHM C[C@@H]1COCC[C@@H]1Oc1ccc2c([O-])coc2c1 ZINC001225340759 974417801 /nfs/dbraw/zinc/41/78/01/974417801.db2.gz SUPKENJGGRJLDN-RNCFNFMXSA-N -1 3 248.278 2.066 20 0 BEADHM O=c1nc(OC2CCC2)c(C(F)(F)F)c[n-]1 ZINC001225578878 974563419 /nfs/dbraw/zinc/56/34/19/974563419.db2.gz HRYOZWAEGZGFRH-UHFFFAOYSA-N -1 3 234.177 2.132 20 0 BEADHM C[C@H](O)CCCC(=O)Oc1nc2ccccc2[n-]1 ZINC001225583948 974567245 /nfs/dbraw/zinc/56/72/45/974567245.db2.gz WFXPUVKTGMZBAV-VIFPVBQESA-N -1 3 248.282 2.019 20 0 BEADHM CO[C@@H](C)CCOc1cc(C(C)=O)ccc1[O-] ZINC001225996997 974758174 /nfs/dbraw/zinc/75/81/74/974758174.db2.gz AIPUSHIBWPAEBK-VIFPVBQESA-N -1 3 238.283 2.399 20 0 BEADHM CC(=O)c1ccc([O-])c(OC[C@H]2CCCO2)c1 ZINC001225998525 974758668 /nfs/dbraw/zinc/75/86/68/974758668.db2.gz MKNCQMJKHPAWID-LLVKDONJSA-N -1 3 236.267 2.153 20 0 BEADHM Cc1c(=O)[n-]cnc1OC1Cc2ccccc2C1 ZINC001226072203 974777522 /nfs/dbraw/zinc/77/75/22/974777522.db2.gz ZVZJSCKLSKQQDI-UHFFFAOYSA-N -1 3 242.278 2.037 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@H]1CCCC[C@@H]1F ZINC001226077769 974779504 /nfs/dbraw/zinc/77/95/04/974779504.db2.gz WFCPULXFGMSHOR-IUCAKERBSA-N -1 3 226.251 2.150 20 0 BEADHM Cc1c(=O)[n-]cnc1O[C@H](C)C1CCCC1 ZINC001226076792 974780489 /nfs/dbraw/zinc/78/04/89/974780489.db2.gz PEEZQOMSLKMCOR-SECBINFHSA-N -1 3 222.288 2.448 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001226461355 974910640 /nfs/dbraw/zinc/91/06/40/974910640.db2.gz OLTZBRMDTSGHRF-NQMVMOMDSA-N -1 3 237.303 2.089 20 0 BEADHM CCCCC[C@@H](C)Oc1[n-]c(=O)nnc1C ZINC001226461342 974910991 /nfs/dbraw/zinc/91/09/91/974910991.db2.gz OIROIOZVXPHQNG-MRVPVSSYSA-N -1 3 225.292 2.233 20 0 BEADHM CCC[C@H](Oc1[n-]c(=O)nnc1C)[C@H](C)CC ZINC001226460392 974912628 /nfs/dbraw/zinc/91/26/28/974912628.db2.gz CREMKPMLVIPECU-SCZZXKLOSA-N -1 3 239.319 2.479 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@@H]1C[C@H](C)CC[C@H]1C ZINC001226461823 974913993 /nfs/dbraw/zinc/91/39/93/974913993.db2.gz WTQYJNZJESLMHX-NQMVMOMDSA-N -1 3 237.303 2.089 20 0 BEADHM Cc1nnc(=O)[n-]c1O[C@H](C)CCC(C)C ZINC001226461740 974915531 /nfs/dbraw/zinc/91/55/31/974915531.db2.gz UUPBDLLUMSNUMG-MRVPVSSYSA-N -1 3 225.292 2.089 20 0 BEADHM Cc1nnc(=O)[n-]c1OC1[C@@H](C)CCC[C@@H]1C ZINC001226464217 974915541 /nfs/dbraw/zinc/91/55/41/974915541.db2.gz NKWKJWFYQXRTNM-YUMQZZPRSA-N -1 3 237.303 2.089 20 0 BEADHM CC1(C)C[C@]1(C)CNC(=O)c1ccc(N)cc1[O-] ZINC001332009976 974917006 /nfs/dbraw/zinc/91/70/06/974917006.db2.gz BARQMXJKCVGRPK-CQSZACIVSA-N -1 3 248.326 2.140 20 0 BEADHM CC(C)=CCC[C@@H](C)Oc1[n-]c(=O)nnc1C ZINC001226465817 974918438 /nfs/dbraw/zinc/91/84/38/974918438.db2.gz ZNLKTKNUMRUKRO-SECBINFHSA-N -1 3 237.303 2.399 20 0 BEADHM CC(=O)c1ccc([O-])c(O[C@@H]2C=CCC2)c1O ZINC001226483618 974922170 /nfs/dbraw/zinc/92/21/70/974922170.db2.gz WYGDQRTYJBKJML-SECBINFHSA-N -1 3 234.251 2.398 20 0 BEADHM CCc1nc(O[C@H](C)c2ccccn2)cc(=O)[n-]1 ZINC001226476481 974922659 /nfs/dbraw/zinc/92/26/59/974922659.db2.gz SAJQPXPIMCAOJH-SECBINFHSA-N -1 3 245.282 2.280 20 0 BEADHM Cc1nc(OC(C2CC2)C2CC2)cc(=O)[n-]1 ZINC001226510053 974930437 /nfs/dbraw/zinc/93/04/37/974930437.db2.gz HRAOQGXKLGJMHM-UHFFFAOYSA-N -1 3 220.272 2.058 20 0 BEADHM c1cn(Cc2ccc([N-]c3nnco3)cc2)cn1 ZINC001212692144 975001032 /nfs/dbraw/zinc/00/10/32/975001032.db2.gz CVIQSKQPOKOPCU-UHFFFAOYSA-N -1 3 241.254 2.058 20 0 BEADHM S=c1nccc(OC2CCSCC2)[n-]1 ZINC001226938496 975156488 /nfs/dbraw/zinc/15/64/88/975156488.db2.gz ZONQMKNBAWPIMF-UHFFFAOYSA-N -1 3 228.342 2.040 20 0 BEADHM C[C@@H](Oc1ccnc(=S)[n-]1)c1cccnc1 ZINC001226937221 975163395 /nfs/dbraw/zinc/16/33/95/975163395.db2.gz OWXPLDAPLWXZTQ-MRVPVSSYSA-N -1 3 233.296 2.300 20 0 BEADHM C[C@H](Oc1ccnc(=S)[n-]1)c1ccccn1 ZINC001226940358 975165796 /nfs/dbraw/zinc/16/57/96/975165796.db2.gz PURSSTXFPRIBJT-QMMMGPOBSA-N -1 3 233.296 2.300 20 0 BEADHM C[C@H]1CC[C@@H](Oc2cc(=O)[n-]cn2)CC1 ZINC001226944418 975165952 /nfs/dbraw/zinc/16/59/52/975165952.db2.gz FVZBTXPZVHBTTG-DTORHVGOSA-N -1 3 208.261 2.140 20 0 BEADHM CC(C)CC[C@H](C)Oc1cc(=O)[n-]cn1 ZINC001226944952 975170837 /nfs/dbraw/zinc/17/08/37/975170837.db2.gz LSEMGYMAWGQSFG-VIFPVBQESA-N -1 3 210.277 2.386 20 0 BEADHM O=c1cc(O[C@H]2CCCc3cccnc32)nc[n-]1 ZINC001226946591 975175896 /nfs/dbraw/zinc/17/58/96/975175896.db2.gz KGMUVHUZMHCMBF-JTQLQIEISA-N -1 3 243.266 2.034 20 0 BEADHM COC(=O)c1ccc([N-]c2conc2C)o1 ZINC001212718594 975231906 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2.373 20 0 BEADHM COc1cncc(Nc2ncc(F)cc2[O-])c1 ZINC001174088807 976352381 /nfs/dbraw/zinc/35/23/81/976352381.db2.gz FLXLDADJRZZKPH-UHFFFAOYSA-N -1 3 235.218 2.074 20 0 BEADHM COc1cc(F)ccc1Nc1cnc(C)[n-]c1=O ZINC001174130223 976370115 /nfs/dbraw/zinc/37/01/15/976370115.db2.gz WSJOFLJDQAGVEO-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM COc1ccc(F)c(Nc2cnc(C)[n-]c2=O)c1 ZINC001174210457 976386879 /nfs/dbraw/zinc/38/68/79/976386879.db2.gz CMEMCVOVJZUGAR-UHFFFAOYSA-N -1 3 249.245 2.382 20 0 BEADHM CC(C)[C@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228696753 976437649 /nfs/dbraw/zinc/43/76/49/976437649.db2.gz CKYOIGWUQYWZJV-VIFPVBQESA-N -1 3 232.287 2.290 20 0 BEADHM CC[C@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228697676 976439491 /nfs/dbraw/zinc/43/94/91/976439491.db2.gz NSPGQOBZZUEUKV-QMMMGPOBSA-N -1 3 218.260 2.044 20 0 BEADHM Cn1cc([N-]c2nc3ccc(F)cc3o2)cn1 ZINC001174328432 976525627 /nfs/dbraw/zinc/52/56/27/976525627.db2.gz SILYVBUVJZVQSH-UHFFFAOYSA-N -1 3 232.218 2.444 20 0 BEADHM CCC(=O)c1ccc([O-])cc1O[C@H]1CCN(C)C1 ZINC001229474405 976876950 /nfs/dbraw/zinc/87/69/50/976876950.db2.gz DVTYIBFEMBPNSL-NSHDSACASA-N -1 3 249.310 2.068 20 0 BEADHM CCc1nnc([N-]c2cnn(CC)c2)s1 ZINC001174566287 976882830 /nfs/dbraw/zinc/88/28/30/976882830.db2.gz LYODAILTQDBPCF-UHFFFAOYSA-N -1 3 223.305 2.061 20 0 BEADHM Cc1nc(O[C@H]2CCCC[C@@H]2F)c(C)c(=O)[n-]1 ZINC001229692987 976947017 /nfs/dbraw/zinc/94/70/17/976947017.db2.gz WSILALHGNFOINN-UWVGGRQHSA-N -1 3 240.278 2.459 20 0 BEADHM Cc1nc(O[C@@H]2CC[C@H](C)C2)c(C)c(=O)[n-]1 ZINC001229686025 976947431 /nfs/dbraw/zinc/94/74/31/976947431.db2.gz QQIWGEHTYFWDJV-OIBJUYFYSA-N -1 3 222.288 2.366 20 0 BEADHM CCC[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229954519 977038277 /nfs/dbraw/zinc/03/82/77/977038277.db2.gz LSIAWBXMLRWWBW-SECBINFHSA-N -1 3 232.287 2.434 20 0 BEADHM CCC[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229954519 977038289 /nfs/dbraw/zinc/03/82/89/977038289.db2.gz LSIAWBXMLRWWBW-SECBINFHSA-N -1 3 232.287 2.434 20 0 BEADHM Cc1ccc(Nc2cnc(C)[n-]c2=O)cc1N ZINC001174934508 977174093 /nfs/dbraw/zinc/17/40/93/977174093.db2.gz YPWXVIJJTOAECN-UHFFFAOYSA-N -1 3 230.271 2.125 20 0 BEADHM CCOc1cccc(F)c1Nc1cnc[n-]c1=O ZINC001175224157 977331061 /nfs/dbraw/zinc/33/10/61/977331061.db2.gz SUWRGGCMYPTKEJ-UHFFFAOYSA-N -1 3 249.245 2.464 20 0 BEADHM COc1ncc([N-]c2nocc2C)s1 ZINC001175387386 977404566 /nfs/dbraw/zinc/40/45/66/977404566.db2.gz SFWNCIXWSBZLND-UHFFFAOYSA-N -1 3 211.246 2.192 20 0 BEADHM Cc1c2c[nH]nc2ccc1Nc1cnc[n-]c1=O ZINC001175465426 977434661 /nfs/dbraw/zinc/43/46/61/977434661.db2.gz TVKIXXAVDLYWOQ-UHFFFAOYSA-N -1 3 241.254 2.111 20 0 BEADHM Cc1nnc([N-]c2ccc3nccnc3c2)o1 ZINC001175487210 977444160 /nfs/dbraw/zinc/44/41/60/977444160.db2.gz QSCRZNMDFQYASH-UHFFFAOYSA-N -1 3 227.227 2.065 20 0 BEADHM C[C@H]1CCC[C@H]1Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074806 977459753 /nfs/dbraw/zinc/45/97/53/977459753.db2.gz XTJDEGHQXBMPEB-JOYOIKCWSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001231074777 977461101 /nfs/dbraw/zinc/46/11/01/977461101.db2.gz SPEZHCIAQXAXAJ-QMMMGPOBSA-N -1 3 230.271 2.044 20 0 BEADHM CCc1cccc(Nc2cnc[n-]c2=O)c1 ZINC001175554345 977533274 /nfs/dbraw/zinc/53/32/74/977533274.db2.gz NNJXTHLRMXQLBJ-UHFFFAOYSA-N -1 3 215.256 2.488 20 0 BEADHM CN1CCC=C(Nc2c([O-])cc(F)cc2F)C1 ZINC001175576611 977583765 /nfs/dbraw/zinc/58/37/65/977583765.db2.gz MXYIAWFULNIXLL-UHFFFAOYSA-N -1 3 240.253 2.302 20 0 BEADHM Cc1cscc1Nc1cnc[n-]c1=O ZINC001175764721 977721985 /nfs/dbraw/zinc/72/19/85/977721985.db2.gz OXQNGMGLYWHCDF-UHFFFAOYSA-N -1 3 207.258 2.296 20 0 BEADHM Cc1cc(Nc2cnc(C)[n-]c2=O)cc(C)c1N ZINC001175932372 977819716 /nfs/dbraw/zinc/81/97/16/977819716.db2.gz KFRDXEUQIAHTNV-UHFFFAOYSA-N -1 3 244.298 2.433 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2CCC[C@H](F)C2)n1 ZINC001336681222 977849103 /nfs/dbraw/zinc/84/91/03/977849103.db2.gz YMUKUHOCIWQNDR-DTWKUNHWSA-N -1 3 225.267 2.183 20 0 BEADHM Cc1noc([N-][C@@H]2CCCc3cccnc32)n1 ZINC001336724322 977885301 /nfs/dbraw/zinc/88/53/01/977885301.db2.gz LDZUBVBKTZLHGG-SNVBAGLBSA-N -1 3 230.271 2.263 20 0 BEADHM Cc1noc(C)c1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001176177108 977977869 /nfs/dbraw/zinc/97/78/69/977977869.db2.gz SECLNVSMOKEMEW-UHFFFAOYSA-N -1 3 246.270 2.408 20 0 BEADHM O=C([O-])c1cccc(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC001595243320 978008821 /nfs/dbraw/zinc/00/88/21/978008821.db2.gz OMPVWFSFFJBYNK-RYUDHWBXSA-N -1 3 249.335 2.075 20 0 BEADHM CC(C)(C)[C@@H]1CCN1C(=O)c1ccc(O)cc1[O-] ZINC001336863997 978011710 /nfs/dbraw/zinc/01/17/10/978011710.db2.gz KHRKCZAJFRVYDQ-LBPRGKRZSA-N -1 3 249.310 2.358 20 0 BEADHM CC1(C)CN(Cc2cccc([O-])c2F)C1 ZINC001233049919 978442256 /nfs/dbraw/zinc/44/22/56/978442256.db2.gz IXZIZYJIZIFPFI-UHFFFAOYSA-N -1 3 209.264 2.373 20 0 BEADHM [O-]c1cccc(CN2CCn3cccc3C2)c1F ZINC001233053087 978450985 /nfs/dbraw/zinc/45/09/85/978450985.db2.gz JPAVNZRTNPINJT-UHFFFAOYSA-N -1 3 246.285 2.349 20 0 BEADHM Nc1ccccc1Nc1ncc(F)cc1[O-] ZINC001206322403 978524550 /nfs/dbraw/zinc/52/45/50/978524550.db2.gz ACRFDUSQHKBNGJ-UHFFFAOYSA-N -1 3 219.219 2.252 20 0 BEADHM Cc1cc([O-])c(Cl)cc1OC1COCOC1 ZINC001233592905 978637202 /nfs/dbraw/zinc/63/72/02/978637202.db2.gz ROKXVZBGHQQZIZ-UHFFFAOYSA-N -1 3 244.674 2.106 20 0 BEADHM CC[C@@H](O)C(=O)Oc1cc(Cl)c([O-])cc1C ZINC001233592063 978639307 /nfs/dbraw/zinc/63/93/07/978639307.db2.gz JHMCBMJCJBCGGR-MRVPVSSYSA-N -1 3 244.674 2.030 20 0 BEADHM [O-]c1coc2ccc(OC[C@@H]3CCC=CO3)cc12 ZINC001233677199 978670628 /nfs/dbraw/zinc/67/06/28/978670628.db2.gz HAWWYSRHYZSBPN-NSHDSACASA-N -1 3 246.262 2.333 20 0 BEADHM [O-]c1coc2ccc(O[C@@H]3C[C@H]4C[C@H]4C3)cc12 ZINC001233677367 978670749 /nfs/dbraw/zinc/67/07/49/978670749.db2.gz JSFGKRMRFKQRKC-DOFRTFSJSA-N -1 3 230.263 2.439 20 0 BEADHM O=C1CCCC[C@@H]1Oc1ccc2occ([O-])c2c1 ZINC001233681362 978671233 /nfs/dbraw/zinc/67/12/33/978671233.db2.gz VYJJWCUJUDMBPJ-AWEZNQCLSA-N -1 3 246.262 2.152 20 0 BEADHM C[C@@H](Oc1ccc2occ([O-])c2c1)C1CC1 ZINC001233677597 978672511 /nfs/dbraw/zinc/67/25/11/978672511.db2.gz SCZSQZURSGHZJZ-MRVPVSSYSA-N -1 3 218.252 2.439 20 0 BEADHM CCC(=O)[C@H](CC)Oc1ccc2occ([O-])c2c1 ZINC001233680403 978672521 /nfs/dbraw/zinc/67/25/21/978672521.db2.gz JNAUTJIJHIZMMX-ZDUSSCGKSA-N -1 3 248.278 2.398 20 0 BEADHM Cc1cc(OCCCC(=O)[O-])c(C)c(C)n1 ZINC001600290898 978685390 /nfs/dbraw/zinc/68/53/90/978685390.db2.gz WOTZYDJJMYLVSH-UHFFFAOYSA-N -1 3 223.272 2.250 20 0 BEADHM C[C@@H]1COCC[C@H]1Oc1cccc([O-])c1F ZINC001233868872 978717266 /nfs/dbraw/zinc/71/72/66/978717266.db2.gz CIWBUPHTAKBQSC-PSASIEDQSA-N -1 3 226.247 2.335 20 0 BEADHM Cc1nc(NC(=O)C2C(C)(C)C2(C)C)cc(=O)[n-]1 ZINC001179690372 978738135 /nfs/dbraw/zinc/73/81/35/978738135.db2.gz LZVJWIDOPIMZNG-UHFFFAOYSA-N -1 3 249.314 2.111 20 0 BEADHM C[C@@H](CC(C)(C)NCc1nccs1)C(=O)[O-] ZINC001339240225 978823014 /nfs/dbraw/zinc/82/30/14/978823014.db2.gz HAKCQVOHJQIEKM-QMMMGPOBSA-N -1 3 242.344 2.122 20 0 BEADHM [O-]c1cccc2[nH]c(OC[C@@H]3CCCCO3)nc21 ZINC001234446823 978839020 /nfs/dbraw/zinc/83/90/20/978839020.db2.gz JEQRTPAXNNXUOM-VIFPVBQESA-N -1 3 248.282 2.216 20 0 BEADHM [O-]c1cccc2[nH]c(OC3CC(F)(F)C3)nc21 ZINC001234447242 978839840 /nfs/dbraw/zinc/83/98/40/978839840.db2.gz LQPKHZPYKVZRFM-UHFFFAOYSA-N -1 3 240.209 2.445 20 0 BEADHM C[C@@]1(C(=O)Nc2ccc(F)c([O-])c2)CCCO1 ZINC001180471517 978893483 /nfs/dbraw/zinc/89/34/83/978893483.db2.gz CNDHHRUQNKMGKY-LBPRGKRZSA-N -1 3 239.246 2.039 20 0 BEADHM c1cc2nc(O[C@@H]3CCCOC3)[n-]c2s1 ZINC001234846805 978914063 /nfs/dbraw/zinc/91/40/63/978914063.db2.gz CUUPUOCIHWLUTA-SSDOTTSWSA-N -1 3 224.285 2.182 20 0 BEADHM c1cc2[n-]c(O[C@@H]3CCCOC3)nc2s1 ZINC001234846805 978914070 /nfs/dbraw/zinc/91/40/70/978914070.db2.gz CUUPUOCIHWLUTA-SSDOTTSWSA-N -1 3 224.285 2.182 20 0 BEADHM c1cc2nc(OC3CCOCC3)[n-]c2s1 ZINC001234851546 978917834 /nfs/dbraw/zinc/91/78/34/978917834.db2.gz LWGMNSQUSZXUIH-UHFFFAOYSA-N -1 3 224.285 2.182 20 0 BEADHM c1cc2[n-]c(OC3CCOCC3)nc2s1 ZINC001234851546 978917837 /nfs/dbraw/zinc/91/78/37/978917837.db2.gz LWGMNSQUSZXUIH-UHFFFAOYSA-N -1 3 224.285 2.182 20 0 BEADHM O=C([O-])c1cc(CN[C@@H]2CCCC[C@@H]2F)c[nH]1 ZINC001602261227 979102222 /nfs/dbraw/zinc/10/22/22/979102222.db2.gz NKYMJHWCTWOMEW-VHSXEESVSA-N -1 3 240.278 2.083 20 0 BEADHM CO[C@H](C)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001181457931 979106867 /nfs/dbraw/zinc/10/68/67/979106867.db2.gz QXJCMFUUJQXHDR-ZCFIWIBFSA-N -1 3 229.663 2.019 20 0 BEADHM O=C([O-])c1ccc2c(c1)[C@H](NCCF)CCC2 ZINC001602412825 979110526 /nfs/dbraw/zinc/11/05/26/979110526.db2.gz MNRIAQDSCBMMJN-GFCCVEGCSA-N -1 3 237.274 2.321 20 0 BEADHM C1=C(COc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001602746280 979209579 /nfs/dbraw/zinc/20/95/79/979209579.db2.gz LQYDOPMTGRJKDI-UHFFFAOYSA-N -1 3 242.282 2.356 20 0 BEADHM C1=C(COc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001602746280 979209591 /nfs/dbraw/zinc/20/95/91/979209591.db2.gz LQYDOPMTGRJKDI-UHFFFAOYSA-N -1 3 242.282 2.356 20 0 BEADHM C1=CCC(COc2ccccc2-c2nnn[n-]2)C1 ZINC001602750311 979213443 /nfs/dbraw/zinc/21/34/43/979213443.db2.gz VJOSLTPEAJAVSH-UHFFFAOYSA-N -1 3 242.282 2.212 20 0 BEADHM C1=CCC(COc2ccccc2-c2nn[n-]n2)C1 ZINC001602750311 979213457 /nfs/dbraw/zinc/21/34/57/979213457.db2.gz VJOSLTPEAJAVSH-UHFFFAOYSA-N -1 3 242.282 2.212 20 0 BEADHM C/C(=C/C(=O)[O-])CN1CCC[C@@H]1c1ccccn1 ZINC001602958732 979342067 /nfs/dbraw/zinc/34/20/67/979342067.db2.gz XIMKUWOZMXVOPK-PRWOLLLXSA-N -1 3 246.310 2.249 20 0 BEADHM C[C@@H](NCC1(C(=O)[O-])CCC1)c1cscn1 ZINC001603247519 979411633 /nfs/dbraw/zinc/41/16/33/979411633.db2.gz KXJBTYGRCRCPBH-MRVPVSSYSA-N -1 3 240.328 2.049 20 0 BEADHM CC(C)C1CN(Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001603759368 979513367 /nfs/dbraw/zinc/51/33/67/979513367.db2.gz IWHSIAUNIDBDDV-AATRIKPKSA-N -1 3 249.310 2.465 20 0 BEADHM CC1CCC(Cn2ccc(-c3nnn[n-]3)c2)CC1 ZINC001603878214 979534025 /nfs/dbraw/zinc/53/40/25/979534025.db2.gz KQJBOZBGENIEEF-UHFFFAOYSA-N -1 3 245.330 2.495 20 0 BEADHM CC1CCC(Cn2ccc(-c3nn[n-]n3)c2)CC1 ZINC001603878214 979534028 /nfs/dbraw/zinc/53/40/28/979534028.db2.gz KQJBOZBGENIEEF-UHFFFAOYSA-N -1 3 245.330 2.495 20 0 BEADHM CCC(C)(C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001603981784 979552332 /nfs/dbraw/zinc/55/23/32/979552332.db2.gz LRHYXQSAWWRSAX-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CCC(C)(C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001603981784 979552337 /nfs/dbraw/zinc/55/23/37/979552337.db2.gz LRHYXQSAWWRSAX-UHFFFAOYSA-N -1 3 246.318 2.110 20 0 BEADHM CC/C=C/CCn1ccc(-c2nnn[n-]2)c1 ZINC001604118476 979581223 /nfs/dbraw/zinc/58/12/23/979581223.db2.gz HTOGBCMKGNQDBS-ONEGZZNKSA-N -1 3 217.276 2.025 20 0 BEADHM CC/C=C/CCn1ccc(-c2nn[n-]n2)c1 ZINC001604118476 979581233 /nfs/dbraw/zinc/58/12/33/979581233.db2.gz HTOGBCMKGNQDBS-ONEGZZNKSA-N -1 3 217.276 2.025 20 0 BEADHM CCC[C@@H](C)Nc1cc(-c2nnn[n-]2)cc(C)n1 ZINC001604138521 979581843 /nfs/dbraw/zinc/58/18/43/979581843.db2.gz ZQCMBPPTZLAQGL-MRVPVSSYSA-N -1 3 246.318 2.171 20 0 BEADHM CCC[C@@H](C)Nc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001604138521 979581850 /nfs/dbraw/zinc/58/18/50/979581850.db2.gz ZQCMBPPTZLAQGL-MRVPVSSYSA-N -1 3 246.318 2.171 20 0 BEADHM CCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001604136532 979583428 /nfs/dbraw/zinc/58/34/28/979583428.db2.gz BSTGSZMBRWSYRA-SECBINFHSA-N -1 3 231.303 2.467 20 0 BEADHM CCn1nccc(-c2c(F)ccc(C)c2[O-])c1=O ZINC001236413576 979587129 /nfs/dbraw/zinc/58/71/29/979587129.db2.gz CPRQDWYYFDPPGB-UHFFFAOYSA-N -1 3 248.257 2.083 20 0 BEADHM CCCNc1ccc(-c2nn[n-]n2)cc1NCC ZINC001604226438 979604589 /nfs/dbraw/zinc/60/45/89/979604589.db2.gz LCCXIBDQFCLPMB-UHFFFAOYSA-N -1 3 246.318 2.120 20 0 BEADHM O=C(CC(F)F)Nc1ccc(F)c([O-])c1 ZINC001182966517 979682403 /nfs/dbraw/zinc/68/24/03/979682403.db2.gz PHNCWAKONKYNJJ-UHFFFAOYSA-N -1 3 219.162 2.125 20 0 BEADHM [O-]c1cc(CN2C[C@@H](F)C[C@H]2CF)ccc1F ZINC001236702788 979697254 /nfs/dbraw/zinc/69/72/54/979697254.db2.gz MANAJBNLZVOLOO-UWVGGRQHSA-N -1 3 245.244 2.413 20 0 BEADHM O=C1CCCN(Cc2ccc(F)c([O-])c2)CC1 ZINC001236697840 979698512 /nfs/dbraw/zinc/69/85/12/979698512.db2.gz DDHQLKCIDBTNBS-UHFFFAOYSA-N -1 3 237.274 2.086 20 0 BEADHM [O-]c1cc(CN2CCCCO2)ccc1F ZINC001236702690 979699225 /nfs/dbraw/zinc/69/92/25/979699225.db2.gz KZVMITBZZJRKFH-UHFFFAOYSA-N -1 3 211.236 2.059 20 0 BEADHM [O-]c1cc(CN2Cc3ccncc3C2)ccc1F ZINC001236705351 979703339 /nfs/dbraw/zinc/70/33/39/979703339.db2.gz LFDCQEGCJBYDEL-UHFFFAOYSA-N -1 3 244.269 2.442 20 0 BEADHM [O-]c1cc(CN2CCn3cccc3C2)ccc1F ZINC001236706043 979705414 /nfs/dbraw/zinc/70/54/14/979705414.db2.gz RJZXMIKAIYLSTD-UHFFFAOYSA-N -1 3 246.285 2.349 20 0 BEADHM CNc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001604900251 979759340 /nfs/dbraw/zinc/75/93/40/979759340.db2.gz OVGDHMMUQSLTMM-UHFFFAOYSA-N -1 3 247.302 2.086 20 0 BEADHM CNc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001604900251 979759345 /nfs/dbraw/zinc/75/93/45/979759345.db2.gz OVGDHMMUQSLTMM-UHFFFAOYSA-N -1 3 247.302 2.086 20 0 BEADHM CC(C)OC1CN(Cc2cc([O-])cc(F)c2)C1 ZINC001237283456 979860210 /nfs/dbraw/zinc/86/02/10/979860210.db2.gz LTGSWDRQWGEBDM-UHFFFAOYSA-N -1 3 239.290 2.141 20 0 BEADHM CC(C)CO[N-]C(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001343120184 980014433 /nfs/dbraw/zinc/01/44/33/980014433.db2.gz DSTXLDWOHOVPIH-NEPJUHHUSA-N -1 3 241.331 2.038 20 0 BEADHM CC(C)CO[N-]C(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001343120191 980015954 /nfs/dbraw/zinc/01/59/54/980015954.db2.gz DSTXLDWOHOVPIH-VXGBXAGGSA-N -1 3 241.331 2.038 20 0 BEADHM Cc1nc(NC(=O)[C@H]2CCC[C@H](C)C2)cc(=O)[n-]1 ZINC001184502241 980097696 /nfs/dbraw/zinc/09/76/96/980097696.db2.gz GOYUUGFQLNUKSL-WPRPVWTQSA-N -1 3 249.314 2.255 20 0 BEADHM CCCC[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC001186886048 980449571 /nfs/dbraw/zinc/44/95/71/980449571.db2.gz YGNMQSAAIPFPKI-SECBINFHSA-N -1 3 231.317 2.137 20 0 BEADHM Cc1cnc(C)c(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001203656053 980495347 /nfs/dbraw/zinc/49/53/47/980495347.db2.gz JEWTUKQTKBWBSD-UHFFFAOYSA-N -1 3 248.311 2.226 20 0 BEADHM S=C1Cc2ccc(C3=CCOC3)cc2[N-]1 ZINC001239495381 980654985 /nfs/dbraw/zinc/65/49/85/980654985.db2.gz SPGSRLZNYPMWAW-UHFFFAOYSA-N -1 3 217.293 2.396 20 0 BEADHM Cc1nnc(Cc2ccc(Cl)cc2[O-])o1 ZINC001250337859 980809069 /nfs/dbraw/zinc/80/90/69/980809069.db2.gz KXTZMQIJUOQFBU-UHFFFAOYSA-N -1 3 224.647 2.328 20 0 BEADHM CCc1n[nH]cc1C(=O)Nc1ccc(F)c([O-])c1 ZINC001190138203 980850294 /nfs/dbraw/zinc/85/02/94/980850294.db2.gz KSLVKHNIVQRASF-UHFFFAOYSA-N -1 3 249.245 2.069 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)NC1CC1 ZINC001191481433 981038953 /nfs/dbraw/zinc/03/89/53/981038953.db2.gz IVRTUFBZZCAVCM-UHFFFAOYSA-N -1 3 226.663 2.330 20 0 BEADHM Cc1c(C(=O)Nc2ccc(F)c([O-])c2)ccn1C ZINC001191842098 981091019 /nfs/dbraw/zinc/09/10/19/981091019.db2.gz DMLQXFNCGDVGQR-UHFFFAOYSA-N -1 3 248.257 2.431 20 0 BEADHM CSCC[C@H](C)N(C)c1nc(C)cc(=O)[n-]1 ZINC001348021322 981250717 /nfs/dbraw/zinc/25/07/17/981250717.db2.gz OQTWCRMZZNVTPO-VIFPVBQESA-N -1 3 241.360 2.068 20 0 BEADHM CC/C=C/NC(=O)c1c(C)cc(O)cc1[O-] ZINC001193945733 981529732 /nfs/dbraw/zinc/52/97/32/981529732.db2.gz JKQREPGXCOIOHU-SNAWJCMRSA-N -1 3 221.256 2.060 20 0 BEADHM Oc1ccc(F)cc1-c1ccc(=S)[n-]n1 ZINC001240695401 981603492 /nfs/dbraw/zinc/60/34/92/981603492.db2.gz KCNRJMPVJVIBOH-UHFFFAOYSA-N -1 3 222.244 2.277 20 0 BEADHM Cc1ncc(NC(=O)Oc2ccccc2)c(=O)[n-]1 ZINC001194225294 981605520 /nfs/dbraw/zinc/60/55/20/981605520.db2.gz YSCUFLLIJYQGJO-UHFFFAOYSA-N -1 3 245.238 2.102 20 0 BEADHM O=C(NCc1ncccc1[O-])Oc1ccccc1 ZINC001194266867 981621769 /nfs/dbraw/zinc/62/17/69/981621769.db2.gz GUUHVULFWIFFSA-UHFFFAOYSA-N -1 3 244.250 2.076 20 0 BEADHM Cc1ncccc1-c1ccccc1-c1nnn[n-]1 ZINC001240725272 981763395 /nfs/dbraw/zinc/76/33/95/981763395.db2.gz SDZMZDOBRHFVBO-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1ncccc1-c1ccccc1-c1nn[n-]n1 ZINC001240725272 981763409 /nfs/dbraw/zinc/76/34/09/981763409.db2.gz SDZMZDOBRHFVBO-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM CN(C)c1cc(-c2ccc([O-])c(F)c2)ncn1 ZINC001240782532 981820977 /nfs/dbraw/zinc/82/09/77/981820977.db2.gz ASIUTGCAKVAXDH-UHFFFAOYSA-N -1 3 233.246 2.054 20 0 BEADHM Cc1ccc(-c2ccc([O-])c(F)c2)nc1N ZINC001240783741 981823340 /nfs/dbraw/zinc/82/33/40/981823340.db2.gz YOMYNJPBFSJAMO-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM COC(=O)c1ccc(-c2ccc([O-])c(F)c2)cn1 ZINC001240785892 981828238 /nfs/dbraw/zinc/82/82/38/981828238.db2.gz RZJHSLOWKDHBRN-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM [O-]c1ccc(-c2cncc3nccn32)cc1F ZINC001240787298 981831599 /nfs/dbraw/zinc/83/15/99/981831599.db2.gz WPKIKOCKYPWONN-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM CC[C@@H](C)COC(=O)Nc1cnc(C)[n-]c1=O ZINC001194773306 981898853 /nfs/dbraw/zinc/89/88/53/981898853.db2.gz VPKFVPYRTIHJAW-SSDOTTSWSA-N -1 3 239.275 2.085 20 0 BEADHM NC(=O)c1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001250611737 982028165 /nfs/dbraw/zinc/02/81/65/982028165.db2.gz DSHGRGFIZIFCMC-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM CC[C@H](C)OC(=O)Nc1nc(C)ccc1[O-] ZINC001195076701 982052392 /nfs/dbraw/zinc/05/23/92/982052392.db2.gz PDVPGWUPELQFQA-QMMMGPOBSA-N -1 3 224.260 2.443 20 0 BEADHM Cc1cc(C)c(-c2ccccc2[O-])nn1 ZINC001241001806 982071435 /nfs/dbraw/zinc/07/14/35/982071435.db2.gz HZGCTRCUGUUNKI-UHFFFAOYSA-N -1 3 200.241 2.466 20 0 BEADHM Cc1ncc(F)c(-c2ccccc2[O-])n1 ZINC001241001691 982085284 /nfs/dbraw/zinc/08/52/84/982085284.db2.gz FAIWCSHIQBDVDK-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM COC(=O)c1cccnc1-c1ccccc1[O-] ZINC001241002309 982086252 /nfs/dbraw/zinc/08/62/52/982086252.db2.gz ZFQRIHOMOFZWHB-UHFFFAOYSA-N -1 3 229.235 2.241 20 0 BEADHM Cn1ccc2c1ncnc2-c1ccccc1[O-] ZINC001241002153 982086642 /nfs/dbraw/zinc/08/66/42/982086642.db2.gz SZOUXYWBJUMCMQ-UHFFFAOYSA-N -1 3 225.251 2.341 20 0 BEADHM Cn1cnc2c1ccnc2-c1ccccc1[O-] ZINC001241001827 982087587 /nfs/dbraw/zinc/08/75/87/982087587.db2.gz JAOLBFGICUDADC-UHFFFAOYSA-N -1 3 225.251 2.341 20 0 BEADHM Nc1cnc(-c2ccccc2[O-])c(F)c1 ZINC001241003176 982090667 /nfs/dbraw/zinc/09/06/67/982090667.db2.gz JQOJMLZXWIGQBL-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM COCc1nc(C)cc(-c2ccccc2[O-])n1 ZINC001241008752 982101919 /nfs/dbraw/zinc/10/19/19/982101919.db2.gz LBBNLSGVYDSSPM-UHFFFAOYSA-N -1 3 230.267 2.304 20 0 BEADHM CCC=CNC(=O)c1ccc(Cl)[n-]c1=O ZINC001195142615 982117146 /nfs/dbraw/zinc/11/71/46/982117146.db2.gz LSZYUKBOGZXRJA-ZZXKWVIFSA-N -1 3 226.663 2.094 20 0 BEADHM Cc1ccc(-c2ncnc3c2ncn3C)c([O-])c1 ZINC001241027630 982122345 /nfs/dbraw/zinc/12/23/45/982122345.db2.gz BZZFQOIXIRDQQV-UHFFFAOYSA-N -1 3 240.266 2.044 20 0 BEADHM CON(C(=O)c1ccc(C)c(C)c1[O-])C(C)C ZINC001350923066 982124342 /nfs/dbraw/zinc/12/43/42/982124342.db2.gz FPRXXGDIUBIZQV-UHFFFAOYSA-N -1 3 237.299 2.421 20 0 BEADHM Cc1ccc(-c2nccnc2N(C)C)c([O-])c1 ZINC001241030078 982126542 /nfs/dbraw/zinc/12/65/42/982126542.db2.gz CLJICRNVOCWEFX-UHFFFAOYSA-N -1 3 229.283 2.224 20 0 BEADHM Fc1cnccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241226977 982373319 /nfs/dbraw/zinc/37/33/19/982373319.db2.gz UCRANJIFXXOVDO-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1cnccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241226977 982373329 /nfs/dbraw/zinc/37/33/29/982373329.db2.gz UCRANJIFXXOVDO-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM COc1cc(-c2cc([O-])cc(F)c2)nc(C)n1 ZINC001241255881 982392691 /nfs/dbraw/zinc/39/26/91/982392691.db2.gz GIFGEDNLJIUBDU-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM COCc1nccnc1-c1cc([O-])cc(F)c1 ZINC001241255755 982392878 /nfs/dbraw/zinc/39/28/78/982392878.db2.gz BYNJGWAXMCWTQL-UHFFFAOYSA-N -1 3 234.230 2.135 20 0 BEADHM [O-]c1cc(F)cc(-c2ncnc3c2COCC3)c1 ZINC001241256132 982394859 /nfs/dbraw/zinc/39/48/59/982394859.db2.gz OEWKWECQOIRHDF-UHFFFAOYSA-N -1 3 246.241 2.061 20 0 BEADHM Cn1cnc2ccnc(-c3cc([O-])cc(F)c3)c21 ZINC001241256497 982395588 /nfs/dbraw/zinc/39/55/88/982395588.db2.gz WYEAIRYRAFLTDG-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM [O-]c1cc(F)cc(-c2ccn3cnnc3c2)c1 ZINC001241267609 982403841 /nfs/dbraw/zinc/40/38/41/982403841.db2.gz ZJMLUKHKRFPUJU-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cc1cc(-c2cc([O-])cc(F)c2)c(=O)n(C)c1 ZINC001241281931 982417846 /nfs/dbraw/zinc/41/78/46/982417846.db2.gz FMQOESTWJMDFDA-UHFFFAOYSA-N -1 3 233.242 2.205 20 0 BEADHM Cc1ncc(-c2cc([O-])cc(F)c2)cc1C(N)=O ZINC001241282679 982425156 /nfs/dbraw/zinc/42/51/56/982425156.db2.gz NTWNCSCTPPZBOX-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM Nc1cncc(F)c1-c1c(F)ccc([O-])c1F ZINC001241290727 982427731 /nfs/dbraw/zinc/42/77/31/982427731.db2.gz FGIFENYFHQLCBL-UHFFFAOYSA-N -1 3 240.184 2.454 20 0 BEADHM CCc1cncc(-c2ccc(=S)[n-]n2)c1 ZINC001241369420 982529294 /nfs/dbraw/zinc/52/92/94/982529294.db2.gz IUTVDNRCYBVIOV-UHFFFAOYSA-N -1 3 217.297 2.390 20 0 BEADHM C[C@H](CC(=O)[O-])[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC001589004253 982566986 /nfs/dbraw/zinc/56/69/86/982566986.db2.gz BLFGNDMIAFKTST-HTQZYQBOSA-N -1 3 241.262 2.045 20 0 BEADHM Fc1cccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001241441482 982591078 /nfs/dbraw/zinc/59/10/78/982591078.db2.gz XEGIIVKLBKEEAJ-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1cccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001241441482 982591082 /nfs/dbraw/zinc/59/10/82/982591082.db2.gz XEGIIVKLBKEEAJ-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1ccc(-c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC001241441134 982593603 /nfs/dbraw/zinc/59/36/03/982593603.db2.gz PDBHOOLDPDNRKY-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1ccc(-c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001241441134 982593618 /nfs/dbraw/zinc/59/36/18/982593618.db2.gz PDBHOOLDPDNRKY-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1cccnc1-c1ccccc1-c1nnn[n-]1 ZINC001241534830 982705612 /nfs/dbraw/zinc/70/56/12/982705612.db2.gz PUBVHXFIWDBMLC-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1cccnc1-c1ccccc1-c1nn[n-]n1 ZINC001241534830 982705615 /nfs/dbraw/zinc/70/56/15/982705615.db2.gz PUBVHXFIWDBMLC-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM CC(C)=CCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001589377510 982748231 /nfs/dbraw/zinc/74/82/31/982748231.db2.gz QQPPRTTYBIYCQP-UHFFFAOYSA-N -1 3 244.302 2.030 20 0 BEADHM CC(C)=CCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001589377510 982748248 /nfs/dbraw/zinc/74/82/48/982748248.db2.gz QQPPRTTYBIYCQP-UHFFFAOYSA-N -1 3 244.302 2.030 20 0 BEADHM CC(C)=CCOc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589379707 982752263 /nfs/dbraw/zinc/75/22/63/982752263.db2.gz XUAOMVHFTJIWPU-UHFFFAOYSA-N -1 3 248.261 2.351 20 0 BEADHM CC(C)=CCOc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589379707 982752276 /nfs/dbraw/zinc/75/22/76/982752276.db2.gz XUAOMVHFTJIWPU-UHFFFAOYSA-N -1 3 248.261 2.351 20 0 BEADHM C=CS(=O)(=O)[N-]c1cc(C)c2ccccc2n1 ZINC001198566541 982753590 /nfs/dbraw/zinc/75/35/90/982753590.db2.gz HBFSIFKAGLTYHN-UHFFFAOYSA-N -1 3 248.307 2.428 20 0 BEADHM CC(C)[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001589436850 982791274 /nfs/dbraw/zinc/79/12/74/982791274.db2.gz JCMADIAKRFHAIT-VIFPVBQESA-N -1 3 231.303 2.323 20 0 BEADHM CC1CC(Nc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001590206618 982900599 /nfs/dbraw/zinc/90/05/99/982900599.db2.gz JWAFXPHVBZYGTQ-UHFFFAOYSA-N -1 3 247.277 2.216 20 0 BEADHM CC1CC(Nc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001590206618 982900619 /nfs/dbraw/zinc/90/06/19/982900619.db2.gz JWAFXPHVBZYGTQ-UHFFFAOYSA-N -1 3 247.277 2.216 20 0 BEADHM C[C@H]1C[C@H]1CNc1ccc(-c2nn[n-]n2)cc1F ZINC001590219356 982906051 /nfs/dbraw/zinc/90/60/51/982906051.db2.gz JBFRCINFCZVOBH-CBAPKCEASA-N -1 3 247.277 2.074 20 0 BEADHM C[C@H]1C[C@H]1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC001590217070 982909799 /nfs/dbraw/zinc/90/97/99/982909799.db2.gz ATKMIZQAOVTKOD-YUMQZZPRSA-N -1 3 247.277 2.074 20 0 BEADHM C[C@H]1C[C@H]1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC001590217070 982909812 /nfs/dbraw/zinc/90/98/12/982909812.db2.gz ATKMIZQAOVTKOD-YUMQZZPRSA-N -1 3 247.277 2.074 20 0 BEADHM C[C@H]1CC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1F ZINC001590238158 982913251 /nfs/dbraw/zinc/91/32/51/982913251.db2.gz BUYNGPJWUIIFKE-OIBJUYFYSA-N -1 3 247.277 2.216 20 0 BEADHM CC[C@H](C)CCNc1ncccc1-c1nnn[n-]1 ZINC001590408761 982930896 /nfs/dbraw/zinc/93/08/96/982930896.db2.gz CFNKFGXQXYJCKI-VIFPVBQESA-N -1 3 246.318 2.110 20 0 BEADHM CC[C@H](C)CCNc1ncccc1-c1nn[n-]n1 ZINC001590408761 982930911 /nfs/dbraw/zinc/93/09/11/982930911.db2.gz CFNKFGXQXYJCKI-VIFPVBQESA-N -1 3 246.318 2.110 20 0 BEADHM CC[C@H]1CC[C@@H]1Nc1cccc(-c2nnn[n-]2)c1 ZINC001590507713 982953171 /nfs/dbraw/zinc/95/31/71/982953171.db2.gz GLAVRTMTJCGTIT-CABZTGNLSA-N -1 3 243.314 2.467 20 0 BEADHM CC[C@H]1CC[C@@H]1Nc1cccc(-c2nn[n-]n2)c1 ZINC001590507713 982953180 /nfs/dbraw/zinc/95/31/80/982953180.db2.gz GLAVRTMTJCGTIT-CABZTGNLSA-N -1 3 243.314 2.467 20 0 BEADHM c1ncc(C2=CCCCC2)cc1-c1nnn[n-]1 ZINC001241717827 982993419 /nfs/dbraw/zinc/99/34/19/982993419.db2.gz YZNYUKLKQQCIKH-UHFFFAOYSA-N -1 3 227.271 2.219 20 0 BEADHM c1ncc(C2=CCCCC2)cc1-c1nn[n-]n1 ZINC001241717827 982993435 /nfs/dbraw/zinc/99/34/35/982993435.db2.gz YZNYUKLKQQCIKH-UHFFFAOYSA-N -1 3 227.271 2.219 20 0 BEADHM C[C@H](NCc1ccc(C(=O)[O-])o1)[C@H]1CC1(F)F ZINC001353909603 983069059 /nfs/dbraw/zinc/06/90/59/983069059.db2.gz JBRZOXUMDIBYCW-POYBYMJQSA-N -1 3 245.225 2.111 20 0 BEADHM Fc1ccc(-c2cccc(-c3nnn[n-]3)c2)nc1 ZINC001241809877 983070682 /nfs/dbraw/zinc/07/06/82/983070682.db2.gz MNLNEHWRORKDCE-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Fc1ccc(-c2cccc(-c3nn[n-]n3)c2)nc1 ZINC001241809877 983070688 /nfs/dbraw/zinc/07/06/88/983070688.db2.gz MNLNEHWRORKDCE-UHFFFAOYSA-N -1 3 241.229 2.068 20 0 BEADHM Cc1c(NCCC2CC2)cccc1-c1nnn[n-]1 ZINC001591829338 983094177 /nfs/dbraw/zinc/09/41/77/983094177.db2.gz GQDGXEBXRSRQGY-UHFFFAOYSA-N -1 3 243.314 2.387 20 0 BEADHM Cc1c(NCCC2CC2)cccc1-c1nn[n-]n1 ZINC001591829338 983094186 /nfs/dbraw/zinc/09/41/86/983094186.db2.gz GQDGXEBXRSRQGY-UHFFFAOYSA-N -1 3 243.314 2.387 20 0 BEADHM O=C([O-])[C@H]1C[C@@H](NCc2cscc2Cl)C1 ZINC001353953742 983100193 /nfs/dbraw/zinc/10/01/93/983100193.db2.gz IXTXCRHUXPUMTI-WRXNHJIOSA-N -1 3 245.731 2.354 20 0 BEADHM Cc1cccc(-c2nnn[n-]2)c1SCCF ZINC001592215147 983125356 /nfs/dbraw/zinc/12/53/56/983125356.db2.gz JRZOITOUCSEXCA-UHFFFAOYSA-N -1 3 238.291 2.237 20 0 BEADHM Cc1cccc(-c2nn[n-]n2)c1SCCF ZINC001592215147 983125360 /nfs/dbraw/zinc/12/53/60/983125360.db2.gz JRZOITOUCSEXCA-UHFFFAOYSA-N -1 3 238.291 2.237 20 0 BEADHM Cc1cn(CC2CC(C)(C)C2)cc1-c1nnn[n-]1 ZINC001592287492 983135873 /nfs/dbraw/zinc/13/58/73/983135873.db2.gz OTXAUWUSHJKNCH-UHFFFAOYSA-N -1 3 245.330 2.413 20 0 BEADHM Cc1cn(CC2CC(C)(C)C2)cc1-c1nn[n-]n1 ZINC001592287492 983135882 /nfs/dbraw/zinc/13/58/82/983135882.db2.gz OTXAUWUSHJKNCH-UHFFFAOYSA-N -1 3 245.330 2.413 20 0 BEADHM Cc1nc(NCC(C)(C)C)ccc1-c1nnn[n-]1 ZINC001592384706 983158635 /nfs/dbraw/zinc/15/86/35/983158635.db2.gz ZKJWFRQMBDHTEM-UHFFFAOYSA-N -1 3 246.318 2.028 20 0 BEADHM Cc1nc(NCC(C)(C)C)ccc1-c1nn[n-]n1 ZINC001592384706 983158642 /nfs/dbraw/zinc/15/86/42/983158642.db2.gz ZKJWFRQMBDHTEM-UHFFFAOYSA-N -1 3 246.318 2.028 20 0 BEADHM CCSCC[C@H](C)Nc1nc(C)cc(=O)[n-]1 ZINC001354119695 983162186 /nfs/dbraw/zinc/16/21/86/983162186.db2.gz DDDVUSVVMOKMGI-QMMMGPOBSA-N -1 3 241.360 2.434 20 0 BEADHM Fc1cc(OC2CCCC2)cc(-c2nnn[n-]2)c1 ZINC001592642578 983191335 /nfs/dbraw/zinc/19/13/35/983191335.db2.gz BGJPYXNSASDBJK-UHFFFAOYSA-N -1 3 248.261 2.327 20 0 BEADHM Fc1cc(OC2CCCC2)cc(-c2nn[n-]n2)c1 ZINC001592642578 983191338 /nfs/dbraw/zinc/19/13/38/983191338.db2.gz BGJPYXNSASDBJK-UHFFFAOYSA-N -1 3 248.261 2.327 20 0 BEADHM Cc1cc(=O)[n-]c(N2C[C@@H]3CCCC[C@@H]3C2)n1 ZINC001354212759 983198293 /nfs/dbraw/zinc/19/82/93/983198293.db2.gz CTXKDSUWUTWFGX-PHIMTYICSA-N -1 3 233.315 2.117 20 0 BEADHM C[C@@H](F)CCN[C@H](C)c1cc(C(=O)[O-])co1 ZINC001592950774 983222798 /nfs/dbraw/zinc/22/27/98/983222798.db2.gz PODXAFVVEZLOJB-HTQZYQBOSA-N -1 3 229.251 2.377 20 0 BEADHM Cc1c(C(N)=O)cncc1-c1ccc(F)cc1[O-] ZINC001242218807 983419529 /nfs/dbraw/zinc/41/95/29/983419529.db2.gz QNUHCGWYARXUHA-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM NC(=O)c1cccc(-c2ccc(F)cc2[O-])c1 ZINC001242220670 983424233 /nfs/dbraw/zinc/42/42/33/983424233.db2.gz KDTDKHBKKPTDGT-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM O=c1occ2[nH]cc(-c3ccc(F)cc3[O-])cc1-2 ZINC001242221124 983425120 /nfs/dbraw/zinc/42/51/20/983425120.db2.gz KKBWEQAOILTPRK-UHFFFAOYSA-N -1 3 245.209 2.264 20 0 BEADHM Cn1cc(-c2cccc(F)c2[O-])cc(F)c1=O ZINC001242353180 983575252 /nfs/dbraw/zinc/57/52/52/983575252.db2.gz WAYWLJPSUNIIHU-UHFFFAOYSA-N -1 3 237.205 2.036 20 0 BEADHM Nc1ccnc(-c2cccc(F)c2[O-])c1 ZINC001242348503 983612625 /nfs/dbraw/zinc/61/26/25/983612625.db2.gz ULLRKIBSKYYKRG-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM NCc1cccc(-c2cccc(F)c2[O-])n1 ZINC001242349753 983616906 /nfs/dbraw/zinc/61/69/06/983616906.db2.gz QPMPJMSLQHCRBU-UHFFFAOYSA-N -1 3 218.231 2.052 20 0 BEADHM NCc1cc(-c2cccc(C(=O)[O-])c2F)ccn1 ZINC001242380943 983668992 /nfs/dbraw/zinc/66/89/92/983668992.db2.gz YPBZLWFNDBLHJE-UHFFFAOYSA-N -1 3 246.241 2.045 20 0 BEADHM CC(=O)c1ccc(-c2ccc(=S)[n-]n2)cn1 ZINC001242400085 983681290 /nfs/dbraw/zinc/68/12/90/983681290.db2.gz KRJQXZULUZNPFB-UHFFFAOYSA-N -1 3 231.280 2.030 20 0 BEADHM CCc1ncccc1-c1ccc(=S)[n-]n1 ZINC001242520877 983840861 /nfs/dbraw/zinc/84/08/61/983840861.db2.gz GQABLDVSVQYEFO-UHFFFAOYSA-N -1 3 217.297 2.390 20 0 BEADHM CC(C)NC(=O)Nc1cc(F)ccc1[O-] ZINC001202525025 983863155 /nfs/dbraw/zinc/86/31/55/983863155.db2.gz CZAZCQBRCZRKQD-UHFFFAOYSA-N -1 3 212.224 2.061 20 0 BEADHM O=C(NCc1ccccc1)Nc1cncc([O-])c1 ZINC001202625522 984131680 /nfs/dbraw/zinc/13/16/80/984131680.db2.gz TUFKPEHOZMEAED-UHFFFAOYSA-N -1 3 243.266 2.109 20 0 BEADHM Nc1c(F)cc(-c2ccc(=S)[n-]n2)cc1F ZINC001242838682 984188396 /nfs/dbraw/zinc/18/83/96/984188396.db2.gz FCCDBOAZOVJARV-UHFFFAOYSA-N -1 3 239.250 2.293 20 0 BEADHM COc1ccc(-c2ccc(=S)[n-]n2)c(C)n1 ZINC001242925357 984299052 /nfs/dbraw/zinc/29/90/52/984299052.db2.gz DRXSKDRFIQIHSD-UHFFFAOYSA-N -1 3 233.296 2.144 20 0 BEADHM Cn1cc(-c2ccc(F)c([O-])c2)cc(F)c1=O ZINC001243047533 984389567 /nfs/dbraw/zinc/38/95/67/984389567.db2.gz UHVUMUDRGASYDX-UHFFFAOYSA-N -1 3 237.205 2.036 20 0 BEADHM [O-]c1cc(-c2ccn3ncnc3c2)ccc1F ZINC001243046922 984390443 /nfs/dbraw/zinc/39/04/43/984390443.db2.gz ASEQDTWLAPVEPX-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM O=c1cc2[nH]c(-c3ccc(F)c([O-])c3)ccc-2[nH]1 ZINC001243047925 984395040 /nfs/dbraw/zinc/39/50/40/984395040.db2.gz HHHPEJQYGSQWPQ-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM Cn1ccc2ncnc(-c3ccc(F)c([O-])c3)c21 ZINC001243047976 984395971 /nfs/dbraw/zinc/39/59/71/984395971.db2.gz IPGSQXZZUDPTIF-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM CC(C)n1nc(-c2ccc(F)c([O-])c2)ccc1=O ZINC001243048341 984397960 /nfs/dbraw/zinc/39/79/60/984397960.db2.gz XHJPTXSGQVLGSR-UHFFFAOYSA-N -1 3 248.257 2.336 20 0 BEADHM Cn1nnc2cc(-c3ccc(F)c([O-])c3)ccc21 ZINC001243050023 984404638 /nfs/dbraw/zinc/40/46/38/984404638.db2.gz DZXUOWKWKXRLPT-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM Cc1cnc(-c2ccc(F)c([O-])c2)c(N)c1 ZINC001243050506 984406770 /nfs/dbraw/zinc/40/67/70/984406770.db2.gz VKZNSICCPVNOKM-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM Cn1cnc2cc(-c3ccc(F)c([O-])c3)cnc21 ZINC001243050776 984409197 /nfs/dbraw/zinc/40/91/97/984409197.db2.gz XMYRVOHOSGJVFY-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM O=C1Cc2cnc(-c3ccc(F)c([O-])c3)cc2N1 ZINC001243054411 984424472 /nfs/dbraw/zinc/42/44/72/984424472.db2.gz PQGMVXCHPZLRRB-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM Cc1cc(C(=O)[O-])ccc1-c1ccc(CN)nc1 ZINC001243204098 984702422 /nfs/dbraw/zinc/70/24/22/984702422.db2.gz YHCROHJDEWUJQQ-UHFFFAOYSA-N -1 3 242.278 2.214 20 0 BEADHM Nc1ccc(F)c(-c2ccc(=S)[n-]n2)c1 ZINC001243285406 984813627 /nfs/dbraw/zinc/81/36/27/984813627.db2.gz VTKBLASJWLHICW-UHFFFAOYSA-N -1 3 221.260 2.154 20 0 BEADHM CCCC[C@H](O)CCC(=O)[N-]OCCC1CC1 ZINC001450209328 984863889 /nfs/dbraw/zinc/86/38/89/984863889.db2.gz HPVQUKKOVUQOBN-LBPRGKRZSA-N -1 3 243.347 2.166 20 0 BEADHM NCc1cccc(-c2cc(F)cc(F)c2[O-])n1 ZINC001243501213 985054684 /nfs/dbraw/zinc/05/46/84/985054684.db2.gz ZKNCVGCBHHIJMR-UHFFFAOYSA-N -1 3 236.221 2.191 20 0 BEADHM CCOc1cncc(-c2cccc([O-])c2F)n1 ZINC001243542871 985075467 /nfs/dbraw/zinc/07/54/67/985075467.db2.gz OSEVLZWDYJQXOY-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM COc1cnc(C)nc1-c1cccc([O-])c1F ZINC001243543091 985075486 /nfs/dbraw/zinc/07/54/86/985075486.db2.gz CGGJEIYMCHVUAE-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM CCOc1ncc(-c2cccc([O-])c2F)cn1 ZINC001243545047 985083562 /nfs/dbraw/zinc/08/35/62/985083562.db2.gz OSVHTZCSWDJHJW-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM COC(=O)c1ccc(-c2cccc([O-])c2F)cn1 ZINC001243544260 985083943 /nfs/dbraw/zinc/08/39/43/985083943.db2.gz GAPYOECPDCJFGY-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM [O-]c1cccc(-c2ccc3nccn3n2)c1F ZINC001243545019 985084526 /nfs/dbraw/zinc/08/45/26/985084526.db2.gz NMFWDNHIBKBWLA-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cc1nc(N)ccc1-c1cccc([O-])c1F ZINC001243545326 985086447 /nfs/dbraw/zinc/08/64/47/985086447.db2.gz DUEMZVRVGQXVDF-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM Nc1nccc(F)c1-c1cccc([O-])c1F ZINC001243545697 985088738 /nfs/dbraw/zinc/08/87/38/985088738.db2.gz CJMSLUZQYWDYGL-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM COc1c(C)ncnc1-c1cccc([O-])c1F ZINC001243546070 985093967 /nfs/dbraw/zinc/09/39/67/985093967.db2.gz HALVKBPWESHYJM-UHFFFAOYSA-N -1 3 234.230 2.305 20 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ZINC001244050549 985780049 /nfs/dbraw/zinc/78/00/49/985780049.db2.gz MRQGXWZNCULNGM-UHFFFAOYSA-N -1 3 248.669 2.207 20 0 BEADHM COc1csc(C(=O)[N-]c2conc2C)c1 ZINC001461256136 986032919 /nfs/dbraw/zinc/03/29/19/986032919.db2.gz XFPKFLHRCBLTFL-UHFFFAOYSA-N -1 3 238.268 2.305 20 0 BEADHM [O-]c1cc(Cl)ccc1-c1cncc2nncn21 ZINC001244470936 986140080 /nfs/dbraw/zinc/14/00/80/986140080.db2.gz COKFLLZZRRIHSD-UHFFFAOYSA-N -1 3 246.657 2.150 20 0 BEADHM Cc1cc(-c2cnc3n[nH]nc3c2)cc([O-])c1F ZINC001244515783 986218675 /nfs/dbraw/zinc/21/86/75/986218675.db2.gz NMAQGOJXMZXEFJ-UHFFFAOYSA-N -1 3 244.229 2.173 20 0 BEADHM [O-]c1cccc(O)c1-c1nnc(C2CCC2)o1 ZINC001255161305 986835698 /nfs/dbraw/zinc/83/56/98/986835698.db2.gz LGONTYTUDLTGCR-UHFFFAOYSA-N -1 3 232.239 2.415 20 0 BEADHM Cn1nnc2cc(-c3c([O-])cccc3F)ccc21 ZINC001245654851 987031022 /nfs/dbraw/zinc/03/10/22/987031022.db2.gz HXNVMAZLFYQTLI-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM COc1ncc(-c2c([O-])cccc2F)c(C)n1 ZINC001245654899 987031695 /nfs/dbraw/zinc/03/16/95/987031695.db2.gz IWHDZTHVYCRHJS-UHFFFAOYSA-N -1 3 234.230 2.305 20 0 BEADHM NC(=O)c1ccc(F)c(-c2c([O-])cccc2F)c1 ZINC001245657237 987046746 /nfs/dbraw/zinc/04/67/46/987046746.db2.gz ZCCBBEHAGYKMRK-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccncc2[O-])C[C@@H]1C ZINC001472506505 987231492 /nfs/dbraw/zinc/23/14/92/987231492.db2.gz YXVMLFRBUARSIK-OUAUKWLOSA-N -1 3 248.326 2.220 20 0 BEADHM Cc1ccc(C(=O)Nc2cc(F)ccn2)c([O-])c1 ZINC001472596429 987254479 /nfs/dbraw/zinc/25/44/79/987254479.db2.gz OJXHRRJVYCAQEN-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Cc1nc(NC[C@H](C)c2ccccn2)cc(=O)[n-]1 ZINC000692665655 987293279 /nfs/dbraw/zinc/29/32/79/987293279.db2.gz VYWCFPNUQVJYTE-VIFPVBQESA-N -1 3 244.298 2.101 20 0 BEADHM CC(F)(F)CNCc1ccc([O-])c(F)c1 ZINC000697553894 987356289 /nfs/dbraw/zinc/35/62/89/987356289.db2.gz LZRZKPRAIHQCQC-UHFFFAOYSA-N -1 3 219.206 2.276 20 0 BEADHM CC(C)(CNCc1c(F)cccc1F)C(=O)[O-] ZINC001116762100 987701540 /nfs/dbraw/zinc/70/15/40/987701540.db2.gz AYNHTRYQEXOZAA-UHFFFAOYSA-N -1 3 243.253 2.165 20 0 BEADHM CC(C)(C)ONC(=O)c1cn[n-]c1-c1ccoc1 ZINC001116852159 987730532 /nfs/dbraw/zinc/73/05/32/987730532.db2.gz UGIDLZCIPFZBJV-UHFFFAOYSA-N -1 3 249.270 2.130 20 0 BEADHM CC(C)(C)ONC(=O)c1c[n-]nc1-c1ccoc1 ZINC001116852159 987730541 /nfs/dbraw/zinc/73/05/41/987730541.db2.gz UGIDLZCIPFZBJV-UHFFFAOYSA-N -1 3 249.270 2.130 20 0 BEADHM O=C([O-])CCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC001595055501 988111682 /nfs/dbraw/zinc/11/16/82/988111682.db2.gz LXCMOTZFDFPQSC-LBPRGKRZSA-N -1 3 235.283 2.281 20 0 BEADHM C[C@@H](CC(=O)[N-]OC(C)(C)C)[C@H]1CCCO1 ZINC001118827322 988622668 /nfs/dbraw/zinc/62/26/68/988622668.db2.gz KZTLTPCBFHNIBF-VHSXEESVSA-N -1 3 229.320 2.038 20 0 BEADHM CC(C)CO[N-]C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001119260073 988867565 /nfs/dbraw/zinc/86/75/65/988867565.db2.gz XKHYDTNLLGDMFN-QWRGUYRKSA-N -1 3 211.305 2.126 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H](C)c2ncccc2C)n1 ZINC001516143790 989142555 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PXAMDJAIYANCIN-ONEGZZNKSA-N -1 3 238.312 2.004 20 0 BEADHM CCN(Cc1ccoc1)c1nc(C)cc(=O)[n-]1 ZINC001120812178 989894441 /nfs/dbraw/zinc/89/44/41/989894441.db2.gz LOAVSJPUUNWIQG-UHFFFAOYSA-N -1 3 233.271 2.110 20 0 BEADHM Cc1nocc1[N-]C(=O)c1cc(C)cnc1F ZINC001527078038 990206654 /nfs/dbraw/zinc/20/66/54/990206654.db2.gz PHIXDTJCGAADMU-UHFFFAOYSA-N -1 3 235.218 2.078 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1C[C@@H]1F ZINC001123796892 990670378 /nfs/dbraw/zinc/67/03/78/990670378.db2.gz TWNIDORZIVTRGE-VDTYLAMSSA-N -1 3 229.638 2.342 20 0 BEADHM CC(C)=CCC[C@H](C)Nc1cnc(C)[n-]c1=O ZINC001258087192 990992202 /nfs/dbraw/zinc/99/22/02/990992202.db2.gz HCHPJXXLIUTOSJ-JQWIXIFHSA-N -1 3 235.331 2.109 20 0 BEADHM CC[C@H]1CCN(C(=O)c2c([O-])cccc2O)[C@@H]1C ZINC001558968561 991007488 /nfs/dbraw/zinc/00/74/88/991007488.db2.gz UYNKJPMAIAJXLC-ZJUUUORDSA-N -1 3 249.310 2.358 20 0 BEADHM CC1(C)CC[C@H]([NH2+]CCCCP(=O)([O-])[O-])C1 ZINC001258595851 991488503 /nfs/dbraw/zinc/48/85/03/991488503.db2.gz NDJAILHDWZMFPS-JTQLQIEISA-N -1 3 249.291 2.113 20 0 BEADHM C[C@@]1(F)CCN(Cc2ccncc2[O-])C[C@@H]1F ZINC001140273686 991583125 /nfs/dbraw/zinc/58/31/25/991583125.db2.gz PKJVXAYCIWHCOE-NWDGAFQWSA-N -1 3 242.269 2.059 20 0 BEADHM CCN(Cc1ccncc1)Cc1ccncc1[O-] ZINC001140275770 991593698 /nfs/dbraw/zinc/59/36/98/991593698.db2.gz QZQFIPBRPHZKSC-UHFFFAOYSA-N -1 3 243.310 2.204 20 0 BEADHM Cc1ccc(CN(C)Cc2ccncc2[O-])cn1 ZINC001140281988 991605734 /nfs/dbraw/zinc/60/57/34/991605734.db2.gz LGLGMAAKICJRKE-UHFFFAOYSA-N -1 3 243.310 2.123 20 0 BEADHM CC(C)[C@@H]1CCN1Cc1ccc(C(=O)[O-])o1 ZINC001591095427 991679891 /nfs/dbraw/zinc/67/98/91/991679891.db2.gz VELVTSFNDUHMTH-JTQLQIEISA-N -1 3 223.272 2.208 20 0 BEADHM O=C(CCCCCO)Nc1cccc([O-])c1F ZINC001566435588 991850823 /nfs/dbraw/zinc/85/08/23/991850823.db2.gz ODHRKRGOXKOUKM-UHFFFAOYSA-N -1 3 241.262 2.023 20 0 BEADHM O=S(=O)([N-]C1CCCCCCC1)C(F)F ZINC001259962627 992072201 /nfs/dbraw/zinc/07/22/01/992072201.db2.gz MIIKPGXJWYWEGU-UHFFFAOYSA-N -1 3 241.303 2.241 20 0 BEADHM CC[C@@H](C)S(=O)(=O)[N-]c1cnn(C(C)C)c1 ZINC001260725161 992141901 /nfs/dbraw/zinc/14/19/01/992141901.db2.gz PJRANGYHOOPNHC-SECBINFHSA-N -1 3 245.348 2.004 20 0 BEADHM CC(=O)C(C)(C)CCC(=O)[N-]OC(C)(C)C ZINC001320343731 992175551 /nfs/dbraw/zinc/17/55/51/992175551.db2.gz AWQCGQXONUCWDN-UHFFFAOYSA-N -1 3 229.320 2.228 20 0 BEADHM COC1(CO[N-]C(=O)CC(C)(C)C)CCC1 ZINC001261378837 992281351 /nfs/dbraw/zinc/28/13/51/992281351.db2.gz KJBUIHHKHPVCTF-UHFFFAOYSA-N -1 3 229.320 2.040 20 0 BEADHM CCN(CCC(=O)[O-])Cc1ccc(C(C)=O)cc1 ZINC001261517772 992362925 /nfs/dbraw/zinc/36/29/25/992362925.db2.gz AKVXBGUKRBJKSU-UHFFFAOYSA-N -1 3 249.310 2.186 20 0 BEADHM CC(C)(CF)NCc1cccc(C(=O)[O-])c1 ZINC001261837738 992533254 /nfs/dbraw/zinc/53/32/54/992533254.db2.gz MQYRATLQBSZDLZ-UHFFFAOYSA-N -1 3 225.263 2.223 20 0 BEADHM Cc1oc(C(=O)[O-])cc1CN[C@@H]1C=CCCC1 ZINC001262158956 992718349 /nfs/dbraw/zinc/71/83/49/992718349.db2.gz CXBPOHYBTGBSGE-LLVKDONJSA-N -1 3 235.283 2.485 20 0 BEADHM Cc1nc(NC2CC3(CC3(F)F)C2)cc(=O)[n-]1 ZINC001262371107 992866224 /nfs/dbraw/zinc/86/62/24/992866224.db2.gz ANXUFXVXEYPJES-UHFFFAOYSA-N -1 3 241.241 2.090 20 0 BEADHM Cc1occc1CNc1nc(C)cc(=O)[n-]1 ZINC001262680053 993020008 /nfs/dbraw/zinc/02/00/08/993020008.db2.gz OHAVITXHUVQOCT-UHFFFAOYSA-N -1 3 219.244 2.004 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@H]2CCOC3(CCC3)C2)n1 ZINC001262687787 993029747 /nfs/dbraw/zinc/02/97/47/993029747.db2.gz XLNFXVKGESYASS-JTQLQIEISA-N -1 3 249.314 2.004 20 0 BEADHM Nc1cnc(-c2ccc([O-])cc2Cl)nc1 ZINC000379780017 993275429 /nfs/dbraw/zinc/27/54/29/993275429.db2.gz FNECGPBLEFWPMZ-UHFFFAOYSA-N -1 3 221.647 2.085 20 0 BEADHM Cc1nnc([N-]C(=O)c2ccc(F)s2)s1 ZINC001264232175 993687750 /nfs/dbraw/zinc/68/77/50/993687750.db2.gz PTNFZHVPHXXRPJ-UHFFFAOYSA-N -1 3 243.288 2.299 20 0 BEADHM COc1cccc(C(=O)[O-])c1CN1C[C@H](C)[C@H]1C ZINC001599645167 994415528 /nfs/dbraw/zinc/41/55/28/994415528.db2.gz PDVGANJRWMEDMC-VHSXEESVSA-N -1 3 249.310 2.234 20 0 BEADHM C[C@@H](NC/C=C/C1CC1)c1cncc(C(=O)[O-])c1 ZINC001593256258 994519598 /nfs/dbraw/zinc/51/95/98/994519598.db2.gz GMRVYIVZKHZSIY-VMZHVLLKSA-N -1 3 246.310 2.397 20 0 BEADHM C[C@@H](Oc1ccccc1CN(C)C1CC1)C(=O)[O-] ZINC001593644154 995957181 /nfs/dbraw/zinc/95/71/81/995957181.db2.gz DIWBAGHSZUDUJD-SNVBAGLBSA-N -1 3 249.310 2.133 20 0 BEADHM COC(C)(C)CN[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599033242 999066253 /nfs/dbraw/zinc/06/62/53/999066253.db2.gz YTDRRTSMFPUCOF-MRVPVSSYSA-N -1 3 241.287 2.053 20 0 BEADHM C[C@H]1CC[C@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001609163203 1170237476 /nfs/dbraw/zinc/23/74/76/1170237476.db2.gz UKTWJRCHSXTIJH-IONNQARKSA-N -1 3 247.277 2.216 20 0 BEADHM C[C@H]1CC[C@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001609163203 1170237482 /nfs/dbraw/zinc/23/74/82/1170237482.db2.gz UKTWJRCHSXTIJH-IONNQARKSA-N -1 3 247.277 2.216 20 0 BEADHM CC/C=C\CNc1ccc(-c2nn[n-]n2)cc1F ZINC001609203221 1170240232 /nfs/dbraw/zinc/24/02/32/1170240232.db2.gz BWKZUPZFZCFCQR-ARJAWSKDSA-N -1 3 247.277 2.384 20 0 BEADHM Cc1cc(-c2nn[n-]n2)ccc1OC1CCCC1 ZINC001609388853 1170253749 /nfs/dbraw/zinc/25/37/49/1170253749.db2.gz USMDWABVWKDZLO-UHFFFAOYSA-N -1 3 244.298 2.497 20 0 BEADHM CCC[C@@H](N=c1ncnc2[nH][n-]cc1-2)C(C)(C)C ZINC001612396609 1170458306 /nfs/dbraw/zinc/45/83/06/1170458306.db2.gz MCNVBXLDZJGZRH-SNVBAGLBSA-N -1 3 247.346 2.353 20 0 BEADHM Cc1ccc([O-])c(C(=O)NN2CCCC[C@H]2C)c1 ZINC001628022874 1171201042 /nfs/dbraw/zinc/20/10/42/1171201042.db2.gz HSYWGEFQVTVHFJ-LLVKDONJSA-N -1 3 248.326 2.220 20 0 BEADHM CCn1ccc(C(=O)Nc2cc(F)ccc2[O-])n1 ZINC001632243645 1171499123 /nfs/dbraw/zinc/49/91/23/1171499123.db2.gz MLFVXSXTGKKUKC-UHFFFAOYSA-N -1 3 249.245 2.000 20 0 BEADHM C=C/C=C/CCNC(=O)Cc1ccc([O-])c(F)c1 ZINC001633446478 1171580867 /nfs/dbraw/zinc/58/08/67/1171580867.db2.gz KXSBDQQMXNZGEM-ONEGZZNKSA-N -1 3 249.285 2.322 20 0 BEADHM CCCN(C)Cc1ccc(C(=O)[O-])cc1F ZINC000062751063 349491169 /nfs/dbraw/zinc/49/11/69/349491169.db2.gz OUIWMLHLIUNOBZ-UHFFFAOYSA-N -1 3 225.263 2.366 20 0 BEADHM CC(C)(C)OC(=O)c1cc(Br)n[n-]1 ZINC000575432246 398147790 /nfs/dbraw/zinc/14/77/90/398147790.db2.gz VPIWWRZZTQAJFT-UHFFFAOYSA-N -1 3 247.092 2.128 20 0 BEADHM CC(C)(C)OC(=O)c1cc(Br)[n-]n1 ZINC000575432246 398147795 /nfs/dbraw/zinc/14/77/95/398147795.db2.gz VPIWWRZZTQAJFT-UHFFFAOYSA-N -1 3 247.092 2.128 20 0 BEADHM Cc1ccc(C(=O)N2CC=CCC2)c([O-])c1 ZINC000163161846 538926207 /nfs/dbraw/zinc/92/62/07/538926207.db2.gz NTAFMMNBBYQFMR-UHFFFAOYSA-N -1 3 217.268 2.103 20 0 BEADHM Cc1cc(NCc2cc([O-])cc(F)c2)nn1C ZINC000310269066 178170973 /nfs/dbraw/zinc/17/09/73/178170973.db2.gz OUTHTKPWUKMZOR-UHFFFAOYSA-N -1 3 235.262 2.185 20 0 BEADHM C[C@H](CNC(=O)c1cccc([O-])c1)C1CC1 ZINC000163667374 538930214 /nfs/dbraw/zinc/93/02/14/538930214.db2.gz LOLASHFKYGLSNO-SECBINFHSA-N -1 3 219.284 2.168 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](C)[C@@H]2C)n1 ZINC000192612486 178202476 /nfs/dbraw/zinc/20/24/76/178202476.db2.gz FWKAMTLQWUXJHG-LSJOCFKGSA-N -1 3 235.331 2.282 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC3(CCC3)C2)n1 ZINC000192620770 178202843 /nfs/dbraw/zinc/20/28/43/178202843.db2.gz RFDXPNUJWLMCOF-NSHDSACASA-N -1 3 247.342 2.428 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H](C)C2)n1 ZINC000177912223 178204043 /nfs/dbraw/zinc/20/40/43/178204043.db2.gz VRPXKROZAPNDBK-ONGXEEELSA-N -1 3 235.331 2.284 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ncco2)n1 ZINC000277993467 178204266 /nfs/dbraw/zinc/20/42/66/178204266.db2.gz NMSDMGZNWIEFLY-ZETCQYMHSA-N -1 3 237.284 2.332 20 0 BEADHM CS(=O)(=O)[N-]c1csc2ccccc12 ZINC000334290449 136225161 /nfs/dbraw/zinc/22/51/61/136225161.db2.gz LWDVNLSSTZAOFJ-UHFFFAOYSA-N -1 3 227.310 2.273 20 0 BEADHM CCC(CC)CNC(=O)c1ccc(O)cc1[O-] ZINC000105379250 168358648 /nfs/dbraw/zinc/35/86/48/168358648.db2.gz DFTDMRPZPQNWKX-UHFFFAOYSA-N -1 3 237.299 2.264 20 0 BEADHM CC(C)N(Cc1cc(C(=O)[O-])co1)C1CC1 ZINC000517750883 259309054 /nfs/dbraw/zinc/30/90/54/259309054.db2.gz URMBGRWCSPTRBB-UHFFFAOYSA-N -1 3 223.272 2.351 20 0 BEADHM CC(=Cc1nc(-c2cc(=O)[n-]cn2)no1)C1CC1 ZINC000576703012 365663181 /nfs/dbraw/zinc/66/31/81/365663181.db2.gz ILGPEEFYXIACMZ-QPJJXVBHSA-N -1 3 244.254 2.046 20 0 BEADHM Cc1ccc(-c2noc([N-][C@@H]3CCOC3)n2)cc1 ZINC000302035859 178343520 /nfs/dbraw/zinc/34/35/20/178343520.db2.gz JVMZDCBOFGMBAZ-LLVKDONJSA-N -1 3 245.282 2.246 20 0 BEADHM Cc1ccc(C(=O)N2C[C@H](C)[C@H]2C)c([O-])c1 ZINC000294416545 178399705 /nfs/dbraw/zinc/39/97/05/178399705.db2.gz ZFNAFOQWRBHYKF-VHSXEESVSA-N -1 3 219.284 2.181 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1C[C@@H]1C ZINC000179555385 538955418 /nfs/dbraw/zinc/95/54/18/538955418.db2.gz JFPBNBSXZIKDPM-IUCAKERBSA-N -1 3 205.257 2.295 20 0 BEADHM Cc1ccc(C(=O)N[C@@H](C)CF)c([O-])c1C ZINC000287957344 178420449 /nfs/dbraw/zinc/42/04/49/178420449.db2.gz DCVVVRKIKRBQSU-QMMMGPOBSA-N -1 3 225.263 2.097 20 0 BEADHM CCC(CC)Sc1ncc(C(=O)OC)[n-]1 ZINC000193543519 168396378 /nfs/dbraw/zinc/39/63/78/168396378.db2.gz IACSBPPXGMJJSS-UHFFFAOYSA-N -1 3 228.317 2.477 20 0 BEADHM O=C([O-])CCN1CC[C@H]1c1cccc(F)c1 ZINC000381529013 539003238 /nfs/dbraw/zinc/00/32/38/539003238.db2.gz YCYHTKWULJSATC-NSHDSACASA-N -1 3 223.247 2.047 20 0 BEADHM O=C(N[C@H]1CCCC12CC2)c1c([O-])cccc1O ZINC000640750226 361989566 /nfs/dbraw/zinc/98/95/66/361989566.db2.gz AKRLYFFWULCOGA-NSHDSACASA-N -1 3 247.294 2.160 20 0 BEADHM [O-]c1ccc(Cl)c(CN2CCC[C@H](O)C2)c1 ZINC000625064065 342847283 /nfs/dbraw/zinc/84/72/83/342847283.db2.gz FSYUCXFRUSAYFJ-NSHDSACASA-N -1 3 241.718 2.002 20 0 BEADHM Cc1cccc([O-])c1C(=O)N[C@]12C[C@H]1CCC2 ZINC000628042444 342895229 /nfs/dbraw/zinc/89/52/29/342895229.db2.gz SKMXFHGEFNPHDV-QMTHXVAHSA-N -1 3 231.295 2.373 20 0 BEADHM [O-]c1ccc(Cl)c(CN2CCC[C@H]2CO)c1 ZINC000625137097 342887933 /nfs/dbraw/zinc/88/79/33/342887933.db2.gz GQFNXIZYZYGGCN-JTQLQIEISA-N -1 3 241.718 2.002 20 0 BEADHM Cc1ccc(F)c(CN(C)C(C)(C)C(=O)[O-])c1 ZINC000234307195 342922098 /nfs/dbraw/zinc/92/20/98/342922098.db2.gz YJPJZWFSBZPJJB-UHFFFAOYSA-N -1 3 239.290 2.429 20 0 BEADHM CCN(C(=O)c1ccccc1[O-])C(C)C ZINC000037082609 342918276 /nfs/dbraw/zinc/91/82/76/342918276.db2.gz KMKICUCLHDVSJA-UHFFFAOYSA-N -1 3 207.273 2.263 20 0 BEADHM O=c1c2ccc([O-])cc2cnn1CC1CCCC1 ZINC000634591010 342939845 /nfs/dbraw/zinc/93/98/45/342939845.db2.gz QPOMMIKIZANTHO-UHFFFAOYSA-N -1 3 244.294 2.292 20 0 BEADHM CO[N-]C(=O)C[C@H](C)c1ccccc1C ZINC000116170693 398333750 /nfs/dbraw/zinc/33/37/50/398333750.db2.gz KCYQYJQHXQENEP-JTQLQIEISA-N -1 3 207.273 2.166 20 0 BEADHM Cc1[n-]n(CCc2ccccc2)c(=O)c1C1CC1 ZINC000634592509 342946443 /nfs/dbraw/zinc/94/64/43/342946443.db2.gz MKXRQYFNMBMVLN-AWEZNQCLSA-N -1 3 242.322 2.473 20 0 BEADHM C[C@@H]1CCc2[n-]n(CCc3ccccc3)c(=O)c21 ZINC000634592410 342946260 /nfs/dbraw/zinc/94/62/60/342946260.db2.gz INNWTULMRSONCM-BXUZGUMPSA-N -1 3 242.322 2.473 20 0 BEADHM C/C(=C/c1ccco1)C(=O)[N-]OC/C=C/Cl ZINC001638369047 1172016717 /nfs/dbraw/zinc/01/67/17/1172016717.db2.gz GLOXPARPJRLQTA-QRSZSCANSA-N -1 3 241.674 2.483 20 0 BEADHM C[C@@H](c1ccncc1)n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634626322 343028223 /nfs/dbraw/zinc/02/82/23/343028223.db2.gz BNCSTSBAASLSLN-NRUUGDAUSA-N -1 3 243.310 2.387 20 0 BEADHM Cc1[n-]n([C@@H](C)C(F)(F)F)c(=O)c1C1CC1 ZINC000634631380 343041938 /nfs/dbraw/zinc/04/19/38/343041938.db2.gz SJWXJQLMURHRAZ-POYBYMJQSA-N -1 3 234.221 2.182 20 0 BEADHM Cc1ccc(F)c(CN2CC[C@@H](C(=O)[O-])C2)c1 ZINC000235903682 343066859 /nfs/dbraw/zinc/06/68/59/343066859.db2.gz MUYVDOUDUZRXPJ-SNVBAGLBSA-N -1 3 237.274 2.041 20 0 BEADHM O=C([O-])c1ccc(CN2CCCC2)cc1F ZINC000236462411 343098083 /nfs/dbraw/zinc/09/80/83/343098083.db2.gz CWLQMNHRWZSEOK-UHFFFAOYSA-N -1 3 223.247 2.120 20 0 BEADHM C/C=C\CNC(=O)c1ccc([O-])c(C)c1 ZINC000394977564 362103300 /nfs/dbraw/zinc/10/33/00/362103300.db2.gz DPINGDLKGONGFS-ARJAWSKDSA-N -1 3 205.257 2.007 20 0 BEADHM Cc1cc(CN(C)C2CCC2)oc1C(=O)[O-] ZINC000127588437 343178651 /nfs/dbraw/zinc/17/86/51/343178651.db2.gz BLZBBEIXKDCWKL-UHFFFAOYSA-N -1 3 223.272 2.271 20 0 BEADHM C[C@H]1CN(Cc2ccoc2C(=O)[O-])CC[C@@H]1C ZINC000130277277 343180956 /nfs/dbraw/zinc/18/09/56/343180956.db2.gz TVDLWEDQNSGPRY-UWVGGRQHSA-N -1 3 237.299 2.456 20 0 BEADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])o2)C[C@@H]1C ZINC000130275615 343180965 /nfs/dbraw/zinc/18/09/65/343180965.db2.gz GFGSHFCUUYEMAE-ZJUUUORDSA-N -1 3 237.299 2.456 20 0 BEADHM Cc1cccc(CN2CCC(CC(=O)[O-])CC2)n1 ZINC000093681145 343151808 /nfs/dbraw/zinc/15/18/08/343151808.db2.gz GFYHRVONFNKQCX-UHFFFAOYSA-N -1 3 248.326 2.077 20 0 BEADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cn2)[C@@H]1C ZINC000094762665 343157196 /nfs/dbraw/zinc/15/71/96/343157196.db2.gz XJCWALCVOPDVMM-GHMZBOCLSA-N -1 3 248.326 2.400 20 0 BEADHM CC(C)[C@H]1CCN(c2ccncc2C(=O)[O-])C1 ZINC000160234077 343203295 /nfs/dbraw/zinc/20/32/95/343203295.db2.gz UJKAAYSBUAVSCR-JTQLQIEISA-N -1 3 234.299 2.262 20 0 BEADHM CS[C@H](C)C(=O)Nc1ccccc1[O-] ZINC000033226576 343249530 /nfs/dbraw/zinc/24/95/30/343249530.db2.gz WFEODSNLPQBWKC-SSDOTTSWSA-N -1 3 211.286 2.082 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)C2CC2)c1 ZINC000035141234 343286770 /nfs/dbraw/zinc/28/67/70/343286770.db2.gz LPSGFOARHSJZFY-VIFPVBQESA-N -1 3 219.284 2.229 20 0 BEADHM CCCN(Cc1cc(C(=O)[O-])co1)C1CC1 ZINC000051330335 343255925 /nfs/dbraw/zinc/25/59/25/343255925.db2.gz IDRYTNBGPNTJSE-UHFFFAOYSA-N -1 3 223.272 2.352 20 0 BEADHM CCC[C@H](NCc1ccccc1F)C(=O)[O-] ZINC000036839354 343325237 /nfs/dbraw/zinc/32/52/37/343325237.db2.gz WXSPDAKXFMHULA-NSHDSACASA-N -1 3 225.263 2.169 20 0 BEADHM COc1ccc(C(=O)N(C)CC(C)C)c([O-])c1 ZINC000037023420 343331013 /nfs/dbraw/zinc/33/10/13/343331013.db2.gz DEANJHUMHRCAOJ-UHFFFAOYSA-N -1 3 237.299 2.129 20 0 BEADHM Cc1ncccc1CC(=O)Nc1ccccc1[O-] ZINC000335698263 136327721 /nfs/dbraw/zinc/32/77/21/136327721.db2.gz NMDWITKQXGGXGO-UHFFFAOYSA-N -1 3 242.278 2.277 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@H]2C[C@H]2C2CC2)n1 ZINC000335727044 136347270 /nfs/dbraw/zinc/34/72/70/136347270.db2.gz UFWBUFOFTMHBIH-UWVGGRQHSA-N -1 3 232.283 2.080 20 0 BEADHM Cc1ccc(NC(=O)[C@H]2C[C@]23CCOC3)c([O-])c1 ZINC000335705241 136335816 /nfs/dbraw/zinc/33/58/16/136335816.db2.gz MLBFJYPQUPIVBO-YGRLFVJLSA-N -1 3 247.294 2.066 20 0 BEADHM Cc1ccc(NC(=O)c2nccc(C)n2)c([O-])c1 ZINC000349312741 136340937 /nfs/dbraw/zinc/34/09/37/136340937.db2.gz MVNYJSRBXKEHAN-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM Cc1ccc([O-])c(CN2[C@H](C)C[C@H]2C)n1 ZINC000335850631 136355461 /nfs/dbraw/zinc/35/54/61/136355461.db2.gz ZMTLBMGDUNSHCK-NXEZZACHSA-N -1 3 206.289 2.078 20 0 BEADHM C[C@@H]1CC[C@H](C)N(C(=O)c2csc(=O)[n-]2)C1 ZINC000335857584 136356044 /nfs/dbraw/zinc/35/60/44/136356044.db2.gz VZTVAVBFFHQOBS-SFYZADRCSA-N -1 3 240.328 2.109 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)C1CCC1 ZINC000082879307 343469780 /nfs/dbraw/zinc/46/97/80/343469780.db2.gz AWUUZPMTZBNSQB-UHFFFAOYSA-N -1 3 209.220 2.270 20 0 BEADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC(F)C1 ZINC000335859539 344034413 /nfs/dbraw/zinc/03/44/13/344034413.db2.gz HGDRFKHWHAUCDE-UHFFFAOYSA-N -1 3 249.285 2.065 20 0 BEADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1cscn1 ZINC000622749088 343610011 /nfs/dbraw/zinc/61/00/11/343610011.db2.gz SPVZFSQTKGNEEL-MRVPVSSYSA-N -1 3 248.307 2.340 20 0 BEADHM CCCc1ccc(C(=O)CCC(=O)[N-]OC)cc1 ZINC000053720388 343651687 /nfs/dbraw/zinc/65/16/87/343651687.db2.gz SEEXXAGFTKBAGI-UHFFFAOYSA-N -1 3 249.310 2.280 20 0 BEADHM C[C@H]1CCCN1Cc1csc(C(=O)[O-])c1 ZINC000570338139 323056936 /nfs/dbraw/zinc/05/69/36/323056936.db2.gz MTDANDVZZHZWJA-QMMMGPOBSA-N -1 3 225.313 2.431 20 0 BEADHM O=C(/C=C/c1cncc([O-])c1)N[C@H]1CC=CCC1 ZINC000182032158 346979802 /nfs/dbraw/zinc/97/98/02/346979802.db2.gz PDONJOJEFWBCBY-SYTKJHMZSA-N -1 3 244.294 2.025 20 0 BEADHM CC1(C)CC(NC(=O)c2c([O-])cccc2O)C1 ZINC000395439701 344320582 /nfs/dbraw/zinc/32/05/82/344320582.db2.gz PYUTXVDURKZXMR-UHFFFAOYSA-N -1 3 235.283 2.016 20 0 BEADHM Cc1ccc(CNC2CCC(C(=O)[O-])CC2)o1 ZINC000037562158 344552580 /nfs/dbraw/zinc/55/25/80/344552580.db2.gz JVSCCVCSWDZDDK-UHFFFAOYSA-N -1 3 237.299 2.321 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1C ZINC000625916424 344563110 /nfs/dbraw/zinc/56/31/10/344563110.db2.gz USWOYTJZILWGOK-JTQLQIEISA-N -1 3 219.284 2.325 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1C ZINC000625916425 344563414 /nfs/dbraw/zinc/56/34/14/344563414.db2.gz USWOYTJZILWGOK-SNVBAGLBSA-N -1 3 219.284 2.325 20 0 BEADHM O=C(CC[C@@H]1CCCO1)[N-]OCc1ccccc1 ZINC000046320158 344578702 /nfs/dbraw/zinc/57/87/02/344578702.db2.gz KGJNLNDVNUZCDO-ZDUSSCGKSA-N -1 3 249.310 2.194 20 0 BEADHM CSCc1noc(-c2ccccc2[O-])n1 ZINC000049418388 344642400 /nfs/dbraw/zinc/64/24/00/344642400.db2.gz HSOWMQJXPSZWKQ-UHFFFAOYSA-N -1 3 222.269 2.305 20 0 BEADHM CCO[N-]C(=O)CCC(=O)c1ccc(C)s1 ZINC000078239941 344836022 /nfs/dbraw/zinc/83/60/22/344836022.db2.gz LYLWNJIXEFILEX-UHFFFAOYSA-N -1 3 241.312 2.087 20 0 BEADHM Cc1ccc(NC(=O)[C@H]2CCCCO2)c([O-])c1 ZINC000050964162 178747425 /nfs/dbraw/zinc/74/74/25/178747425.db2.gz YGXSEIGODXCQTL-GFCCVEGCSA-N -1 3 235.283 2.208 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2CCCCO2)c([O-])c1 ZINC000050964160 178741695 /nfs/dbraw/zinc/74/16/95/178741695.db2.gz YGXSEIGODXCQTL-LBPRGKRZSA-N -1 3 235.283 2.208 20 0 BEADHM C[C@@H]1CCCC[C@@H]1CSCCc1nnn[n-]1 ZINC000603342258 349920189 /nfs/dbraw/zinc/92/01/89/349920189.db2.gz WSRJVGWDANNIAP-NXEZZACHSA-N -1 3 240.376 2.302 20 0 BEADHM C[C@@H]1CCCC[C@@H]1CSCCc1nn[n-]n1 ZINC000603342258 349920191 /nfs/dbraw/zinc/92/01/91/349920191.db2.gz WSRJVGWDANNIAP-NXEZZACHSA-N -1 3 240.376 2.302 20 0 BEADHM CCCn1c(SCCCSC)n[n-]c1=O ZINC000153698604 344954708 /nfs/dbraw/zinc/95/47/08/344954708.db2.gz HOWKTMOADVGEDJ-UHFFFAOYSA-N -1 3 247.389 2.239 20 0 BEADHM O=C([O-])[C@H](C1CC1)N1CC[C@@H]1c1cccc(F)c1 ZINC000635016319 345221170 /nfs/dbraw/zinc/22/11/70/345221170.db2.gz LXJGWUOJUXWYBY-OLZOCXBDSA-N -1 3 249.285 2.436 20 0 BEADHM CCOCC(=O)Nc1ccc([O-])cc1Cl ZINC000082879782 345790490 /nfs/dbraw/zinc/79/04/90/345790490.db2.gz DMKURUWDYIEXPI-UHFFFAOYSA-N -1 3 229.663 2.021 20 0 BEADHM CCc1ccc(C(=O)NCCC2CC2)c([O-])c1 ZINC000436835834 537919956 /nfs/dbraw/zinc/91/99/56/537919956.db2.gz XIXIUIOCDORMLV-UHFFFAOYSA-N -1 3 233.311 2.485 20 0 BEADHM Cc1ccc(C(=O)NC2CC=CC2)c([O-])c1C ZINC000151005760 537926902 /nfs/dbraw/zinc/92/69/02/537926902.db2.gz SMCGEPNATBJCED-UHFFFAOYSA-N -1 3 231.295 2.457 20 0 BEADHM O=C([O-])CC1CCN(Cc2ccsc2)CC1 ZINC000086573383 345936507 /nfs/dbraw/zinc/93/65/07/345936507.db2.gz FKHANTBVMLKVCF-UHFFFAOYSA-N -1 3 239.340 2.435 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N(C)CC2CCC2)n1 ZINC000192585975 346098599 /nfs/dbraw/zinc/09/85/99/346098599.db2.gz XLGIOZKCOVUXBN-JTQLQIEISA-N -1 3 235.331 2.284 20 0 BEADHM Cc1cccc(C(=O)N2CC[C@H](C)C2)c1[O-] ZINC000040725152 179011648 /nfs/dbraw/zinc/01/16/48/179011648.db2.gz SLQHRFNTXYYSQP-VIFPVBQESA-N -1 3 219.284 2.183 20 0 BEADHM Cc1cccc(C(=O)NC[C@H]2C[C@@H]2C)c1[O-] ZINC000135993920 179018060 /nfs/dbraw/zinc/01/80/60/179018060.db2.gz PQDOXZOKMMSLGB-VHSXEESVSA-N -1 3 219.284 2.086 20 0 BEADHM CC1(C)CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000182326906 347092128 /nfs/dbraw/zinc/09/21/28/347092128.db2.gz UWIZCWDZCHBFKH-UHFFFAOYSA-N -1 3 235.283 2.112 20 0 BEADHM CCCC(C)(C)NC(=O)c1cccc2nn[n-]c21 ZINC000187622537 346592035 /nfs/dbraw/zinc/59/20/35/346592035.db2.gz VMAPEPAANNBWPU-UHFFFAOYSA-N -1 3 246.314 2.266 20 0 BEADHM CCCC(C)(C)NC(=O)c1cccc2[n-]nnc21 ZINC000187622537 346592039 /nfs/dbraw/zinc/59/20/39/346592039.db2.gz VMAPEPAANNBWPU-UHFFFAOYSA-N -1 3 246.314 2.266 20 0 BEADHM CCCC(C)(C)NC(=O)c1cccc2n[n-]nc21 ZINC000187622537 346592043 /nfs/dbraw/zinc/59/20/43/346592043.db2.gz VMAPEPAANNBWPU-UHFFFAOYSA-N -1 3 246.314 2.266 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)c1ccon1 ZINC000577132171 365831888 /nfs/dbraw/zinc/83/18/88/365831888.db2.gz YROFOKRPUABHOQ-UHFFFAOYSA-N -1 3 238.630 2.286 20 0 BEADHM Cc1cccc([O-])c1NC(=O)C1CCOCC1 ZINC000271373080 179160475 /nfs/dbraw/zinc/16/04/75/179160475.db2.gz RVEJGGQCBOWVEE-UHFFFAOYSA-N -1 3 235.283 2.066 20 0 BEADHM Cc1cccc([O-])c1NC(=O)COC(C)(C)C ZINC000183061506 179160736 /nfs/dbraw/zinc/16/07/36/179160736.db2.gz BFIHSUPIBMPMKG-UHFFFAOYSA-N -1 3 237.299 2.454 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCC[C@@H](O)C1 ZINC000336432943 179160856 /nfs/dbraw/zinc/16/08/56/179160856.db2.gz YEZRYCDZETUFKA-WDEREUQCSA-N -1 3 249.310 2.190 20 0 BEADHM Cc1cccc([O-])c1NC(=O)C1CCC1 ZINC000271387344 179161021 /nfs/dbraw/zinc/16/10/21/179161021.db2.gz UQVZZRRUQKAYOW-UHFFFAOYSA-N -1 3 205.257 2.439 20 0 BEADHM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000188750021 347288762 /nfs/dbraw/zinc/28/87/62/347288762.db2.gz NOIMXHQFMVTMMO-VIFPVBQESA-N -1 3 243.328 2.137 20 0 BEADHM CCCCN(C)C(=O)c1ccccc1[O-] ZINC000019838848 347361456 /nfs/dbraw/zinc/36/14/56/347361456.db2.gz UMMFDQWEXNHXDM-UHFFFAOYSA-N -1 3 207.273 2.264 20 0 BEADHM CC(C)(CO)C(=O)Nc1ccc([O-])cc1Cl ZINC000616940786 347511138 /nfs/dbraw/zinc/51/11/38/347511138.db2.gz FQRUGMGGAKLFMU-UHFFFAOYSA-N -1 3 243.690 2.003 20 0 BEADHM CC[C@H](C)N(CC)C(=O)c1cccc2[n-]nnc21 ZINC000616979306 347553433 /nfs/dbraw/zinc/55/34/33/347553433.db2.gz PBTTXVZVMYGGIH-VIFPVBQESA-N -1 3 246.314 2.219 20 0 BEADHM CC[C@H](C)N(CC)C(=O)c1cccc2nn[n-]c21 ZINC000616979306 347553435 /nfs/dbraw/zinc/55/34/35/347553435.db2.gz PBTTXVZVMYGGIH-VIFPVBQESA-N -1 3 246.314 2.219 20 0 BEADHM CC[C@H](C)N(CC)C(=O)c1cccc2n[n-]nc21 ZINC000616979306 347553439 /nfs/dbraw/zinc/55/34/39/347553439.db2.gz PBTTXVZVMYGGIH-VIFPVBQESA-N -1 3 246.314 2.219 20 0 BEADHM CC[C@H](C)N(CC)C(=O)c1csc(=O)[n-]1 ZINC000616977650 347559496 /nfs/dbraw/zinc/55/94/96/347559496.db2.gz JGARGDVWZMLZBL-ZETCQYMHSA-N -1 3 228.317 2.109 20 0 BEADHM O=C(Nc1ccc(F)c(C2CC2)c1)c1nc[n-]n1 ZINC000577316466 365924109 /nfs/dbraw/zinc/92/41/09/365924109.db2.gz UBUPWXDPWZZQLE-UHFFFAOYSA-N -1 3 246.245 2.074 20 0 BEADHM Cc1cccnc1C[N-]c1nnc(C(F)F)o1 ZINC000278777785 179384848 /nfs/dbraw/zinc/38/48/48/179384848.db2.gz VNMTYXVLSONYAG-UHFFFAOYSA-N -1 3 240.213 2.323 20 0 BEADHM CN(CC1CCC1)c1ccncc1C(=O)[O-] ZINC000088109878 362902979 /nfs/dbraw/zinc/90/29/79/362902979.db2.gz VYFKJNBFFKPJOJ-UHFFFAOYSA-N -1 3 220.272 2.016 20 0 BEADHM C[C@H]1CCN(Cc2ccc(C(=O)[O-])o2)C[C@H]1C ZINC000253062883 349226319 /nfs/dbraw/zinc/22/63/19/349226319.db2.gz GFGSHFCUUYEMAE-VHSXEESVSA-N -1 3 237.299 2.456 20 0 BEADHM C[C@@H]1CCN(c2ccncc2C(=O)[O-])C[C@H]1C ZINC000253081184 349226499 /nfs/dbraw/zinc/22/64/99/349226499.db2.gz WBYCVNHNIWYUQI-NXEZZACHSA-N -1 3 234.299 2.262 20 0 BEADHM CCc1cccc(C(=O)N(CC)CC)c1[O-] ZINC000211726516 349281297 /nfs/dbraw/zinc/28/12/97/349281297.db2.gz ALMNIKMFGTXUAQ-UHFFFAOYSA-N -1 3 221.300 2.437 20 0 BEADHM CN(Cc1occc1C(=O)[O-])CC1CCC1 ZINC000061479455 349369412 /nfs/dbraw/zinc/36/94/12/349369412.db2.gz UQSJCALPJDNYOE-UHFFFAOYSA-N -1 3 223.272 2.210 20 0 BEADHM Cc1ncccc1C(=O)Nc1ccc([O-])cc1F ZINC000094648907 180215172 /nfs/dbraw/zinc/21/51/72/180215172.db2.gz ONJSJNPPUYRSQV-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccncn1 ZINC000427653329 191085940 /nfs/dbraw/zinc/08/59/40/191085940.db2.gz IDZCFMPQUDOFHX-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM Cc1ccc(C(=O)N2CC3(CC3)C2)c([O-])c1C ZINC000334829119 538078592 /nfs/dbraw/zinc/07/85/92/538078592.db2.gz MVIIOAXSXOKKSB-UHFFFAOYSA-N -1 3 231.295 2.245 20 0 BEADHM COCC1(NC(=O)c2cccc([O-])c2)CCCC1 ZINC000617195125 350315651 /nfs/dbraw/zinc/31/56/51/350315651.db2.gz BVYKKUOZLZWTEO-UHFFFAOYSA-N -1 3 249.310 2.081 20 0 BEADHM O=C(N[C@]12C[C@H]1CCC2)c1ccccc1[O-] ZINC000617201600 350335587 /nfs/dbraw/zinc/33/55/87/350335587.db2.gz FHZMEGIXSIICTG-NOZJJQNGSA-N -1 3 217.268 2.065 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@]23C[C@H]2CCC3)c1 ZINC000617202298 350345502 /nfs/dbraw/zinc/34/55/02/350345502.db2.gz NCALPBZWOWVOKN-YMTOWFKASA-N -1 3 247.294 2.073 20 0 BEADHM CC(C)CO[N-]C(=O)c1c(F)ccc(F)c1F ZINC000130554440 191095745 /nfs/dbraw/zinc/09/57/45/191095745.db2.gz DOXGNNOQSDCJLP-UHFFFAOYSA-N -1 3 247.216 2.421 20 0 BEADHM CC1(C)CC[C@@H](C(=O)Nc2ccccc2[O-])O1 ZINC000278455725 351764697 /nfs/dbraw/zinc/76/46/97/351764697.db2.gz NYFOYAODWCBVCD-NSHDSACASA-N -1 3 235.283 2.288 20 0 BEADHM C[C@]1(C(=O)Nc2cccc([O-])c2F)C[C@@H]1F ZINC000335539351 133886680 /nfs/dbraw/zinc/88/66/80/133886680.db2.gz VXHCUODVRFSONW-KWQFWETISA-N -1 3 227.210 2.218 20 0 BEADHM CC(C)([N-]C(=O)CC(F)(F)F)C(F)(F)F ZINC000410953656 191152711 /nfs/dbraw/zinc/15/27/11/191152711.db2.gz MKURMWRUVRMCHR-UHFFFAOYSA-N -1 3 237.143 2.396 20 0 BEADHM O=C(Cc1cccnc1)Nc1cccc([O-])c1F ZINC000334237519 352856476 /nfs/dbraw/zinc/85/64/76/352856476.db2.gz IQLITMLGHOKOHK-UHFFFAOYSA-N -1 3 246.241 2.108 20 0 BEADHM Cc1cccc(C(=O)N[C@H]2CC[C@@H](F)C2)c1[O-] ZINC000334365298 353019211 /nfs/dbraw/zinc/01/92/11/353019211.db2.gz HOPNZRNOQVCHPJ-ZJUUUORDSA-N -1 3 237.274 2.321 20 0 BEADHM Cc1co[n-]c1=NC(=O)c1nc(C(C)C)oc1C ZINC000334362739 353014576 /nfs/dbraw/zinc/01/45/76/353014576.db2.gz KVNYVWPELJOBGT-UHFFFAOYSA-N -1 3 249.270 2.077 20 0 BEADHM CC(=O)c1ccc(C(=O)NCC2(C)CC2)cc1[O-] ZINC000412175675 191266182 /nfs/dbraw/zinc/26/61/82/191266182.db2.gz XONKQFUZXDOGFS-UHFFFAOYSA-N -1 3 247.294 2.125 20 0 BEADHM CC(C)(C)c1ccc(NC(=O)c2nc[n-]n2)cc1 ZINC000082324056 188138784 /nfs/dbraw/zinc/13/87/84/188138784.db2.gz ITBJOIGMANHQAX-UHFFFAOYSA-N -1 3 244.298 2.355 20 0 BEADHM [O-]c1ccc(Sc2ncccn2)cc1 ZINC000038079190 188177624 /nfs/dbraw/zinc/17/76/24/188177624.db2.gz WGNVLVSUIGRIRO-UHFFFAOYSA-N -1 3 204.254 2.333 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C(C)(Cl)Cl)n1 ZINC000273434310 188200368 /nfs/dbraw/zinc/20/03/68/188200368.db2.gz DZQVKKZHSGLEIY-UHFFFAOYSA-N -1 3 249.097 2.228 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C(C)(C)C)n1 ZINC000273522593 188200589 /nfs/dbraw/zinc/20/05/89/188200589.db2.gz QSFCRSYDYFHXNL-UHFFFAOYSA-N -1 3 208.261 2.080 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@H]2CCC[C@@H]2C)c1C ZINC000336389799 188229233 /nfs/dbraw/zinc/22/92/33/188229233.db2.gz NWPJJOQPVNQXOI-WPRPVWTQSA-N -1 3 235.331 2.077 20 0 BEADHM Cc1ccnc(CNC(=O)c2cccc([O-])c2)c1 ZINC000328250013 353577910 /nfs/dbraw/zinc/57/79/10/353577910.db2.gz IWQJHPWTDHPOFY-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM C[C@H]1COC(C)(C)CN1C(=O)c1cccc([O-])c1 ZINC000334552156 353992491 /nfs/dbraw/zinc/99/24/91/353992491.db2.gz RGCYPOBORHSUMW-JTQLQIEISA-N -1 3 249.310 2.032 20 0 BEADHM O=C([N-]OC1CCC1)[C@H]1CCCC12CC2 ZINC000529443652 324299837 /nfs/dbraw/zinc/29/98/37/324299837.db2.gz JWHNHNKLTJCYCM-SNVBAGLBSA-N -1 3 209.289 2.167 20 0 BEADHM O=C(Cc1ccc([O-])cc1Cl)NCCCF ZINC000123413688 324392238 /nfs/dbraw/zinc/39/22/38/324392238.db2.gz ARCACHVDOPVBHB-UHFFFAOYSA-N -1 3 245.681 2.064 20 0 BEADHM CCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000344743083 354348088 /nfs/dbraw/zinc/34/80/88/354348088.db2.gz JZPQSDOOXUIRTG-UHFFFAOYSA-N -1 3 239.290 2.380 20 0 BEADHM Cc1cc(C(=O)N2CC[C@H]2C2CC2)ccc1[O-] ZINC000334670937 354412132 /nfs/dbraw/zinc/41/21/32/354412132.db2.gz JXDBZZJBPLNNOD-LBPRGKRZSA-N -1 3 231.295 2.325 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CC[C@H]2C2CC2)c1 ZINC000334665405 354466705 /nfs/dbraw/zinc/46/67/05/354466705.db2.gz FXCKDSFOJZHRAJ-LBPRGKRZSA-N -1 3 231.295 2.325 20 0 BEADHM Cc1csc(S(=O)(=O)[N-][C@H](C)C2CC2)c1 ZINC000334697245 354489170 /nfs/dbraw/zinc/48/91/70/354489170.db2.gz RWVPKSDTZPSVQZ-MRVPVSSYSA-N -1 3 245.369 2.133 20 0 BEADHM O=C(N[C@@H]1CCCC[C@H]1F)c1ccccc1[O-] ZINC000412687641 191306131 /nfs/dbraw/zinc/30/61/31/191306131.db2.gz FUWPMBPDQZTGEP-GHMZBOCLSA-N -1 3 237.274 2.403 20 0 BEADHM O=C(c1cccc([O-])c1)N1CC[C@H]1C1CC1 ZINC000334768171 354589748 /nfs/dbraw/zinc/58/97/48/354589748.db2.gz FCJDDKHBLQLQRM-LBPRGKRZSA-N -1 3 217.268 2.017 20 0 BEADHM C[C@@H]1CCC[C@H](CC(=O)Nc2ccncc2[O-])C1 ZINC000345382935 354646407 /nfs/dbraw/zinc/64/64/07/354646407.db2.gz UEAHWIZLCJZMEN-MNOVXSKESA-N -1 3 248.326 2.364 20 0 BEADHM Cc1cc(C(=O)N2CC[C@](C)(F)C2)ccc1[O-] ZINC000335105033 354689390 /nfs/dbraw/zinc/68/93/90/354689390.db2.gz RLESPSPFGJBKRP-ZDUSSCGKSA-N -1 3 237.274 2.275 20 0 BEADHM C[C@]1(C(=O)Nc2cc(F)ccc2[O-])C[C@@H]1F ZINC000335106720 354691228 /nfs/dbraw/zinc/69/12/28/354691228.db2.gz HBPLIDSNFHHIDG-ONGXEEELSA-N -1 3 227.210 2.218 20 0 BEADHM CCC(CC)CC(=O)Nc1nnc(SC)[n-]1 ZINC000345585194 354706200 /nfs/dbraw/zinc/70/62/00/354706200.db2.gz NHUVRWJQTMXELO-UHFFFAOYSA-N -1 3 242.348 2.291 20 0 BEADHM CCC(CC)CC(=O)Nc1nc(SC)n[n-]1 ZINC000345585194 354706204 /nfs/dbraw/zinc/70/62/04/354706204.db2.gz NHUVRWJQTMXELO-UHFFFAOYSA-N -1 3 242.348 2.291 20 0 BEADHM CCC(CC)CC(=O)Nc1n[n-]c(SC)n1 ZINC000345585194 354706206 /nfs/dbraw/zinc/70/62/06/354706206.db2.gz NHUVRWJQTMXELO-UHFFFAOYSA-N -1 3 242.348 2.291 20 0 BEADHM CC(C)=CCNC(=O)c1cccc([O-])c1 ZINC000232594993 363376319 /nfs/dbraw/zinc/37/63/19/363376319.db2.gz HGLXZDHRPDJEQT-UHFFFAOYSA-N -1 3 205.257 2.088 20 0 BEADHM Cc1ccc(NC(=O)c2ccncc2)c([O-])c1 ZINC000040413280 358490296 /nfs/dbraw/zinc/49/02/96/358490296.db2.gz SAFPDWJEQMMCHA-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM Cc1ccc([O-])c(NC(=O)c2cccc(F)c2)n1 ZINC000345930997 354811605 /nfs/dbraw/zinc/81/16/05/354811605.db2.gz GGMFWYOCNSKSEG-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Cc1ncc(CN[C@@H](C)c2cccs2)c(=O)[n-]1 ZINC000346806193 355110420 /nfs/dbraw/zinc/11/04/20/355110420.db2.gz JVVHTHFQMHRIFE-QMMMGPOBSA-N -1 3 249.339 2.403 20 0 BEADHM C[C@H](C(=O)Nc1ncccc1[O-])c1ccco1 ZINC000608348485 355362571 /nfs/dbraw/zinc/36/25/71/355362571.db2.gz BIWLXZOTUZBKSG-QMMMGPOBSA-N -1 3 232.239 2.122 20 0 BEADHM C[C@H]1CCCCCN1C(=O)c1csc(=O)[n-]1 ZINC000335787477 355437793 /nfs/dbraw/zinc/43/77/93/355437793.db2.gz RCAOMVGOBGKJPZ-QMMMGPOBSA-N -1 3 240.328 2.253 20 0 BEADHM COC(=O)c1cnc(SCC[C@H](C)F)[n-]1 ZINC000349820728 355470264 /nfs/dbraw/zinc/47/02/64/355470264.db2.gz YKDJLCVVENCGGP-LURJTMIESA-N -1 3 232.280 2.037 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCO[C@@H]1C ZINC000335809238 355483249 /nfs/dbraw/zinc/48/32/49/355483249.db2.gz PLDSTSZYMYMFRB-ZJUUUORDSA-N -1 3 235.283 2.064 20 0 BEADHM Cc1[nH]nc(C(=O)Nc2ccc([O-])cc2F)c1C ZINC000335875432 355644076 /nfs/dbraw/zinc/64/40/76/355644076.db2.gz IMVJTFCWBZMFIL-UHFFFAOYSA-N -1 3 249.245 2.124 20 0 BEADHM C[C@H]1CC[C@@H](N(C)C(=O)c2csc(=O)[n-]2)C1 ZINC000336068247 134071215 /nfs/dbraw/zinc/07/12/15/134071215.db2.gz JUIMLWSCGFQZJM-JGVFFNPUSA-N -1 3 240.328 2.109 20 0 BEADHM Cc1ccc([O-])c(CN2CCC(C)(F)CC2)n1 ZINC000639389122 356010776 /nfs/dbraw/zinc/01/07/76/356010776.db2.gz PYOMZIHJBSBFMM-UHFFFAOYSA-N -1 3 238.306 2.420 20 0 BEADHM Cc1ccc(C(=O)N[C@@H]2CC[C@H](F)C2)c([O-])c1 ZINC000335917348 356161035 /nfs/dbraw/zinc/16/10/35/356161035.db2.gz AOFARJFZSVSEBQ-VHSXEESVSA-N -1 3 237.274 2.321 20 0 BEADHM O=C(Nc1cccc([O-])c1F)c1ccco1 ZINC000128333123 324827017 /nfs/dbraw/zinc/82/70/17/324827017.db2.gz PYYUQUJFHOATRM-UHFFFAOYSA-N -1 3 221.187 2.377 20 0 BEADHM COC(=O)c1cnc(S[C@@H](C)C(C)C)[n-]1 ZINC000352155667 134084668 /nfs/dbraw/zinc/08/46/68/134084668.db2.gz ZADDQCNXHTUDLW-ZETCQYMHSA-N -1 3 228.317 2.333 20 0 BEADHM CC[C@@H]1CCCCN1C(=O)c1csc(=O)[n-]1 ZINC000336408252 356364268 /nfs/dbraw/zinc/36/42/68/356364268.db2.gz PHPOJNOCIVAGJA-MRVPVSSYSA-N -1 3 240.328 2.253 20 0 BEADHM CC(C)[C@@H]1CCN1C(=O)c1ccccc1[O-] ZINC000336144259 134101472 /nfs/dbraw/zinc/10/14/72/134101472.db2.gz XNKJHTKLCRKTHF-NSHDSACASA-N -1 3 219.284 2.263 20 0 BEADHM COc1cccc(/C=C\C(=O)[N-]OC(C)C)c1 ZINC000379172994 356428101 /nfs/dbraw/zinc/42/81/01/356428101.db2.gz PMRVVICNICCGAT-FPLPWBNLSA-N -1 3 235.283 2.165 20 0 BEADHM C[C@H]1C[C@H](O)CN1Cc1cccc([O-])c1Cl ZINC000336193835 134124764 /nfs/dbraw/zinc/12/47/64/134124764.db2.gz LFRPCKKKDFGZST-WPRPVWTQSA-N -1 3 241.718 2.001 20 0 BEADHM C[C@@H]1C[C@@H](O)CN1Cc1cccc([O-])c1Cl ZINC000336193832 134124874 /nfs/dbraw/zinc/12/48/74/134124874.db2.gz LFRPCKKKDFGZST-PSASIEDQSA-N -1 3 241.718 2.001 20 0 BEADHM Cc1cccc([O-])c1NC(=O)c1ccncc1 ZINC000179560613 366270920 /nfs/dbraw/zinc/27/09/20/366270920.db2.gz WSWMHNOZHUQGAY-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@H]2CC)c1C ZINC000449847377 202043771 /nfs/dbraw/zinc/04/37/71/202043771.db2.gz AUQWNBIXGYNKKC-GHMZBOCLSA-N -1 3 249.358 2.467 20 0 BEADHM CC[C@H](NC(=O)c1cc(OC)ccc1[O-])C1CC1 ZINC000323809983 356636985 /nfs/dbraw/zinc/63/69/85/356636985.db2.gz ANBYWYACMAGLNE-LBPRGKRZSA-N -1 3 249.310 2.319 20 0 BEADHM CSC[C@@H](C)N=c1[n-]c(C(C)=O)c(C)s1 ZINC000450343395 202135200 /nfs/dbraw/zinc/13/52/00/202135200.db2.gz XAUAHZZFTDIKHB-ZCFIWIBFSA-N -1 3 244.385 2.239 20 0 BEADHM CCN(CC(C)C)C(=O)c1ccc2n[n-]nc2c1 ZINC000031377478 356694616 /nfs/dbraw/zinc/69/46/16/356694616.db2.gz WZPRCNGOZDLBRZ-UHFFFAOYSA-N -1 3 246.314 2.076 20 0 BEADHM CCOc1cc(-c2noc(C)n2)ccc1[O-] ZINC000350786332 366336477 /nfs/dbraw/zinc/33/64/77/366336477.db2.gz IDCQMPJVUIQAJM-UHFFFAOYSA-N -1 3 220.228 2.149 20 0 BEADHM CC[C@@H](NC(=O)c1cccc([O-])c1)C1CC1 ZINC000324114517 356742739 /nfs/dbraw/zinc/74/27/39/356742739.db2.gz ONTMNVDHAMLRHH-GFCCVEGCSA-N -1 3 219.284 2.311 20 0 BEADHM Cc1cccc(-c2nc(-c3cocn3)no2)c1[O-] ZINC000350870420 366356399 /nfs/dbraw/zinc/35/63/99/366356399.db2.gz CMRJCBYBDJOSMB-UHFFFAOYSA-N -1 3 243.222 2.406 20 0 BEADHM CC[C@@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC000324156831 356756656 /nfs/dbraw/zinc/75/66/56/356756656.db2.gz ZDNRYKCCIILZKJ-LLVKDONJSA-N -1 3 219.284 2.311 20 0 BEADHM CCCCO[C@H](C)C(=O)[N-]c1onc(C)c1C ZINC000358338354 356866464 /nfs/dbraw/zinc/86/64/64/356866464.db2.gz SNODSYCMIQOKKW-SNVBAGLBSA-N -1 3 240.303 2.435 20 0 BEADHM CC(=O)c1[n-]c(=N[C@H]2CC[C@@H]2C)sc1C ZINC000450535873 202192645 /nfs/dbraw/zinc/19/26/45/202192645.db2.gz QHIRFXIZUHIDAW-RCOVLWMOSA-N -1 3 224.329 2.286 20 0 BEADHM CCC[C@@H](C(=O)[O-])N(C)Cc1cccs1 ZINC000216503071 357328983 /nfs/dbraw/zinc/32/89/83/357328983.db2.gz VTSRCWQLLWMEDO-JTQLQIEISA-N -1 3 227.329 2.433 20 0 BEADHM [O-]c1cccnc1CN1CCC(C(F)F)CC1 ZINC000582897983 357424945 /nfs/dbraw/zinc/42/49/45/357424945.db2.gz WTZAGVSCWKSWDL-UHFFFAOYSA-N -1 3 242.269 2.264 20 0 BEADHM NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000071463169 181292558 /nfs/dbraw/zinc/29/25/58/181292558.db2.gz CGMVKGYGUQYVPS-UHFFFAOYSA-N -1 3 229.235 2.283 20 0 BEADHM CC[C@](C)(OC)C(=O)Nc1ccc([O-])cc1F ZINC000234134206 357775855 /nfs/dbraw/zinc/77/58/55/357775855.db2.gz HYYOETJEGJSEOX-LBPRGKRZSA-N -1 3 241.262 2.285 20 0 BEADHM CC[C@@H](C(=O)[O-])N1CCC[C@H]1c1ccco1 ZINC000583268238 357763336 /nfs/dbraw/zinc/76/33/36/357763336.db2.gz MLIOJUOEWYBEEU-UWVGGRQHSA-N -1 3 223.272 2.280 20 0 BEADHM C[C@H]1CC[C@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000235636573 357926618 /nfs/dbraw/zinc/92/66/18/357926618.db2.gz DPVZLKJCTRIMMH-IUCAKERBSA-N -1 3 235.283 2.016 20 0 BEADHM CCCN(CC)Cc1occc1C(=O)[O-] ZINC000035433031 357991995 /nfs/dbraw/zinc/99/19/95/357991995.db2.gz QSNCGNDDMPJEOD-UHFFFAOYSA-N -1 3 211.261 2.210 20 0 BEADHM C[C@@H]1C[C@@H](C)CN(Cc2occc2C(=O)[O-])C1 ZINC000035432901 357992097 /nfs/dbraw/zinc/99/20/97/357992097.db2.gz RIFBVQQMNWTQKS-NXEZZACHSA-N -1 3 237.299 2.456 20 0 BEADHM CCCN(CC)Cc1ccoc1C(=O)[O-] ZINC000037095272 358065016 /nfs/dbraw/zinc/06/50/16/358065016.db2.gz QZVCONBLDLYMAS-UHFFFAOYSA-N -1 3 211.261 2.210 20 0 BEADHM CCN(Cc1ccoc1C(=O)[O-])C(C)C ZINC000037082498 358065104 /nfs/dbraw/zinc/06/51/04/358065104.db2.gz PKVWSFXGOGTBJL-UHFFFAOYSA-N -1 3 211.261 2.208 20 0 BEADHM CC[C@H](C)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000037110561 358065743 /nfs/dbraw/zinc/06/57/43/358065743.db2.gz KWOJVZXYSMVLMF-QMMMGPOBSA-N -1 3 211.261 2.208 20 0 BEADHM CCO[N-]C(=O)C[C@H]1CCOc2ccccc21 ZINC000172103886 134261657 /nfs/dbraw/zinc/26/16/57/134261657.db2.gz KCVUJZBNGZRYMW-SNVBAGLBSA-N -1 3 235.283 2.011 20 0 BEADHM Cc1cncc(CN2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC000228613599 358381350 /nfs/dbraw/zinc/38/13/50/358381350.db2.gz NYXPBOFHHGOWAY-AWEZNQCLSA-N -1 3 248.326 2.077 20 0 BEADHM Cc1ccc([O-])c(C(=O)NCc2nccs2)c1 ZINC000042294930 358520582 /nfs/dbraw/zinc/52/05/82/358520582.db2.gz CIEFMGSGQNCXRJ-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])c1cocn1 ZINC000104861928 358441106 /nfs/dbraw/zinc/44/11/06/358441106.db2.gz RPGRPKZLUXGWDX-UHFFFAOYSA-N -1 3 238.630 2.286 20 0 BEADHM CC(C)c1cc(C(=O)Nc2ccccc2[O-])n[nH]1 ZINC000045012388 358558351 /nfs/dbraw/zinc/55/83/51/358558351.db2.gz HCFYURWFAZWAHH-UHFFFAOYSA-N -1 3 245.282 2.491 20 0 BEADHM CN(Cc1ccoc1C(=O)[O-])[C@@H]1CC1(C)C ZINC000578242046 366468677 /nfs/dbraw/zinc/46/86/77/366468677.db2.gz HIBQXAVHZNPDTB-SECBINFHSA-N -1 3 223.272 2.208 20 0 BEADHM COc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H]2C)c1 ZINC000134989435 358814308 /nfs/dbraw/zinc/81/43/08/358814308.db2.gz VYDKXEHHSMYSQT-NXEZZACHSA-N -1 3 249.310 2.271 20 0 BEADHM CCc1cccc(C(=O)N[C@@H](C)C2CC2)c1[O-] ZINC000578312463 366488862 /nfs/dbraw/zinc/48/88/62/366488862.db2.gz GNTDBYQURNMQGW-VIFPVBQESA-N -1 3 233.311 2.483 20 0 BEADHM C[C@H](C(=O)[O-])N(C)c1ccnc2ccccc21 ZINC000054054638 358849877 /nfs/dbraw/zinc/84/98/77/358849877.db2.gz DYTNLIWWHKGJRT-SECBINFHSA-N -1 3 230.267 2.144 20 0 BEADHM CC(C)(C)CCc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351373447 366517734 /nfs/dbraw/zinc/51/77/34/366517734.db2.gz QICCGDYTLMFNRH-UHFFFAOYSA-N -1 3 248.286 2.211 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2OC3CCC2CC3)n1 ZINC000640230166 358943380 /nfs/dbraw/zinc/94/33/80/358943380.db2.gz LMZMOAGUPSQHKG-KPPDAEKUSA-N -1 3 249.314 2.110 20 0 BEADHM Cc1ccc(C(=O)N2C[C@@H]3C[C@@H]3C2)c([O-])c1C ZINC000628514176 359885699 /nfs/dbraw/zinc/88/56/99/359885699.db2.gz MLCWPURNOFFOAY-PHIMTYICSA-N -1 3 231.295 2.101 20 0 BEADHM Cc1noc([N-]C(=O)[C@@H](C)OCC(C)C)c1C ZINC000578697979 366626679 /nfs/dbraw/zinc/62/66/79/366626679.db2.gz QAKGJGRKMGJBSK-SNVBAGLBSA-N -1 3 240.303 2.291 20 0 BEADHM CCc1ccc(C(=O)N2C[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC000628515896 359936324 /nfs/dbraw/zinc/93/63/24/359936324.db2.gz POONQBDZGRLUJW-PHIMTYICSA-N -1 3 231.295 2.047 20 0 BEADHM Cc1ccc([O-])c(CN(C)Cc2cccn2C)n1 ZINC000093584395 360256774 /nfs/dbraw/zinc/25/67/74/360256774.db2.gz YMTPFDVDNULYNZ-UHFFFAOYSA-N -1 3 245.326 2.066 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC1(C(F)F)CC1 ZINC000626921991 360511353 /nfs/dbraw/zinc/51/13/53/360511353.db2.gz SYKWLFFNDYQUFG-UHFFFAOYSA-N -1 3 241.237 2.228 20 0 BEADHM CCC(F)(F)CNC(=O)c1ccc(C)cc1[O-] ZINC000628842316 360699256 /nfs/dbraw/zinc/69/92/56/360699256.db2.gz GFMSXZWJNCVFEH-UHFFFAOYSA-N -1 3 243.253 2.476 20 0 BEADHM C/C=C\CNC(=O)c1cccc(CC)c1[O-] ZINC000629036615 360803574 /nfs/dbraw/zinc/80/35/74/360803574.db2.gz WNOWWHUUUIBXQU-HYXAFXHYSA-N -1 3 219.284 2.261 20 0 BEADHM C/C=C/CNC(=O)c1ccc([O-])c(CC)c1 ZINC000629032704 360813386 /nfs/dbraw/zinc/81/33/86/360813386.db2.gz OJLGMXQYPAWQIP-HWKANZROSA-N -1 3 219.284 2.261 20 0 BEADHM C/C=C/CNC(=O)c1ccc(CC)cc1[O-] ZINC000629033678 360817435 /nfs/dbraw/zinc/81/74/35/360817435.db2.gz DEIFVZXCTOAYSO-HWKANZROSA-N -1 3 219.284 2.261 20 0 BEADHM CCCn1c(=O)[n-]nc1SC[C@H]1C[C@@H]1C ZINC000629096738 360876381 /nfs/dbraw/zinc/87/63/81/360876381.db2.gz TVPAVEYFTVFKGD-JGVFFNPUSA-N -1 3 227.333 2.142 20 0 BEADHM CC(=O)C1(C(=O)Nc2ccc(C)cc2[O-])CC1 ZINC000292677431 200783050 /nfs/dbraw/zinc/78/30/50/200783050.db2.gz ORDWJMZLLGOKJD-UHFFFAOYSA-N -1 3 233.267 2.008 20 0 BEADHM O=C(Nc1cccc2n[n-]nc21)[C@@]12C[C@@H]1CCC2 ZINC000640379551 361188832 /nfs/dbraw/zinc/18/88/32/361188832.db2.gz OZIZYAOUALXILS-SDBXPKJASA-N -1 3 242.282 2.087 20 0 BEADHM CC(C)[C@H](C)C(=O)Nc1cccc2n[n-]nc21 ZINC000640380641 361189747 /nfs/dbraw/zinc/18/97/47/361189747.db2.gz VYMRXPMDMFSRQO-QMMMGPOBSA-N -1 3 232.287 2.189 20 0 BEADHM CCC[C@@H]1C[C@H]1C(=O)Nc1cccc2n[n-]nc21 ZINC000640378555 361191378 /nfs/dbraw/zinc/19/13/78/361191378.db2.gz DITWEMKECZEBRI-RKDXNWHRSA-N -1 3 244.298 2.333 20 0 BEADHM Cc1cc(C)c(C(=O)[N-]c2conc2C)o1 ZINC000640484578 361275581 /nfs/dbraw/zinc/27/55/81/361275581.db2.gz WPXCUYBBOCSOCA-UHFFFAOYSA-N -1 3 220.228 2.445 20 0 BEADHM CCOc1cccnc1C(=O)[N-]c1conc1C ZINC000640483606 361260129 /nfs/dbraw/zinc/26/01/29/361260129.db2.gz NWNXEERGNCSFFB-UHFFFAOYSA-N -1 3 247.254 2.029 20 0 BEADHM CCC1(C(=O)Nc2ncccc2[O-])CCC1 ZINC000180991301 366779996 /nfs/dbraw/zinc/77/99/96/366779996.db2.gz XEAANUWCJHQRSI-UHFFFAOYSA-N -1 3 220.272 2.306 20 0 BEADHM CCS(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000070224065 361480987 /nfs/dbraw/zinc/48/09/87/361480987.db2.gz PGVGJGRTRHUHCL-UHFFFAOYSA-N -1 3 237.683 2.241 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2C2CC2)c1 ZINC000435981103 201304322 /nfs/dbraw/zinc/30/43/22/201304322.db2.gz UPWCJQOJULDXPO-WCQYABFASA-N -1 3 245.322 2.483 20 0 BEADHM Cc1cc(C(=O)NCC[C@H](C)F)ccc1[O-] ZINC000436545277 201330778 /nfs/dbraw/zinc/33/07/78/201330778.db2.gz NEDOWHSDBZCWQU-VIFPVBQESA-N -1 3 225.263 2.179 20 0 BEADHM CCc1ccc(C(=O)N[C@H]2CC[C@H]2C)c([O-])c1 ZINC000436711285 201333783 /nfs/dbraw/zinc/33/37/83/201333783.db2.gz GHODYCRKMKRFPJ-SKDRFNHKSA-N -1 3 233.311 2.483 20 0 BEADHM CCc1ccc(C(=O)NCC2CCC2)c([O-])c1 ZINC000436805797 201339806 /nfs/dbraw/zinc/33/98/06/201339806.db2.gz SVUGDMFDHQUCPK-UHFFFAOYSA-N -1 3 233.311 2.485 20 0 BEADHM Cc1cc(C(=O)N[C@@H](C)c2ccon2)ccc1[O-] ZINC000436932242 201340161 /nfs/dbraw/zinc/34/01/61/201340161.db2.gz BOTMUYJSCIETIH-VIFPVBQESA-N -1 3 246.266 2.180 20 0 BEADHM C[C@@H](CNC(=O)c1ccccc1[O-])C(F)(F)F ZINC000436976604 201342094 /nfs/dbraw/zinc/34/20/94/201342094.db2.gz PLHUKMHDNDQSSR-ZETCQYMHSA-N -1 3 247.216 2.320 20 0 BEADHM CCc1ccc(C(=O)N[C@@H]2C[C@H]2CC)c([O-])c1 ZINC000438105064 201390897 /nfs/dbraw/zinc/39/08/97/201390897.db2.gz YXVUKERFOUAQGG-ZYHUDNBSSA-N -1 3 233.311 2.483 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2COCC2(C)C)c1 ZINC000614432446 363818196 /nfs/dbraw/zinc/81/81/96/363818196.db2.gz UOOSTPXYLDODLM-UHFFFAOYSA-N -1 3 249.310 2.163 20 0 BEADHM CC1(C)CC[C@H]1C(=O)N=c1cc2ccccn2[n-]1 ZINC000614710162 363936172 /nfs/dbraw/zinc/93/61/72/363936172.db2.gz RBDYSQYTYRMXJJ-NSHDSACASA-N -1 3 243.310 2.131 20 0 BEADHM C[C@@H]1CC[C@@H](c2nc3ccc([O-])cc3c(=O)[nH]2)O1 ZINC000630386064 364099973 /nfs/dbraw/zinc/09/99/73/364099973.db2.gz SVAFIPIYDOGTTP-HQJQHLMTSA-N -1 3 246.266 2.281 20 0 BEADHM CCCCS(=O)(=O)c1ncc(C(C)(C)C)[n-]1 ZINC000630436144 364161708 /nfs/dbraw/zinc/16/17/08/364161708.db2.gz KUMLLWYXAXLACF-UHFFFAOYSA-N -1 3 244.360 2.281 20 0 BEADHM CCCCS(=O)(=O)c1nc(C(C)(C)C)c[n-]1 ZINC000630436144 364161714 /nfs/dbraw/zinc/16/17/14/364161714.db2.gz KUMLLWYXAXLACF-UHFFFAOYSA-N -1 3 244.360 2.281 20 0 BEADHM Cc1ccc(CNC2(C(=O)[O-])CCC2)c(F)c1 ZINC000630457103 364172097 /nfs/dbraw/zinc/17/20/97/364172097.db2.gz WQSCSPRVHIDHMT-UHFFFAOYSA-N -1 3 237.274 2.231 20 0 BEADHM O=C(c1ccccc1[O-])N1C2CCC1CC2 ZINC000398967129 364377460 /nfs/dbraw/zinc/37/74/60/364377460.db2.gz VQLVIVSBHLZWSZ-UHFFFAOYSA-N -1 3 217.268 2.159 20 0 BEADHM O=C(c1cccc([O-])c1)N1CC[C@H]1C(F)(F)F ZINC000615031066 364396912 /nfs/dbraw/zinc/39/69/12/364396912.db2.gz WINQHRZWKMLYET-VIFPVBQESA-N -1 3 245.200 2.169 20 0 BEADHM Cc1c(C(=O)Nc2cccc([O-])c2F)ccn1C ZINC000192564986 541371451 /nfs/dbraw/zinc/37/14/51/541371451.db2.gz TWPUVYDRNSUKQM-UHFFFAOYSA-N -1 3 248.257 2.431 20 0 BEADHM C[C@H](CN(CCC(F)(F)F)C1CC1)C(=O)[O-] ZINC000573618984 364876810 /nfs/dbraw/zinc/87/68/10/364876810.db2.gz NMEFJTWCOORESI-SSDOTTSWSA-N -1 3 239.237 2.124 20 0 BEADHM CCN(C(=O)c1csc(=O)[n-]1)[C@@H](C)C(C)C ZINC000573624808 364878201 /nfs/dbraw/zinc/87/82/01/364878201.db2.gz VZPNPDBZBGFEDK-QMMMGPOBSA-N -1 3 242.344 2.355 20 0 BEADHM COc1ccc([O-])c(C(=O)N2[C@@H](C)CC[C@@H]2C)c1 ZINC000162174296 541446952 /nfs/dbraw/zinc/44/69/52/541446952.db2.gz HFGFQCPEDKUKMI-UWVGGRQHSA-N -1 3 249.310 2.414 20 0 BEADHM CC(=O)c1cccc(CN(C)C[C@@H](C)C(=O)[O-])c1 ZINC000574286169 365029192 /nfs/dbraw/zinc/02/91/92/365029192.db2.gz WWTUFTHLUZLRIE-SNVBAGLBSA-N -1 3 249.310 2.042 20 0 BEADHM CC1(C2(NC(=O)c3cccc([O-])c3)CC2)CC1 ZINC000334735657 365245152 /nfs/dbraw/zinc/24/51/52/365245152.db2.gz SKMOCKQOFPXIGF-UHFFFAOYSA-N -1 3 231.295 2.455 20 0 BEADHM O=C(C[C@@H]1CCCO1)Nc1cc(F)ccc1[O-] ZINC000174888473 365518182 /nfs/dbraw/zinc/51/81/82/365518182.db2.gz LSUSXAPHBZZLMQ-VIFPVBQESA-N -1 3 239.246 2.039 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)NC2(C3CC3)CC2)n1 ZINC000581111787 367060066 /nfs/dbraw/zinc/06/00/66/367060066.db2.gz JPSRPCLMOPRKLF-VIFPVBQESA-N -1 3 233.315 2.084 20 0 BEADHM Cc1cnc(CC(=O)Nc2ccccc2[O-])s1 ZINC000622322432 370848786 /nfs/dbraw/zinc/84/87/86/370848786.db2.gz PNZRWGBHDRVMCX-UHFFFAOYSA-N -1 3 248.307 2.338 20 0 BEADHM CC(C)O[N-]C(=O)/C=C\c1cccc(F)c1 ZINC000382112821 367486776 /nfs/dbraw/zinc/48/67/76/367486776.db2.gz RMWNBATYYCMCBG-SREVYHEPSA-N -1 3 223.247 2.295 20 0 BEADHM CC/C=C\CNC(=O)c1cccc([O-])c1 ZINC000384952451 367764430 /nfs/dbraw/zinc/76/44/30/367764430.db2.gz GIQLYLZNQWJAIW-ARJAWSKDSA-N -1 3 205.257 2.088 20 0 BEADHM CC/C=C\CNC(=O)c1cc(C)ccc1[O-] ZINC000385028318 367774127 /nfs/dbraw/zinc/77/41/27/367774127.db2.gz PJJOGWMJYUVDEF-PLNGDYQASA-N -1 3 219.284 2.397 20 0 BEADHM CC/C=C/CNC(=O)c1cc(C)ccc1[O-] ZINC000385028323 367774348 /nfs/dbraw/zinc/77/43/48/367774348.db2.gz PJJOGWMJYUVDEF-SNAWJCMRSA-N -1 3 219.284 2.397 20 0 BEADHM CC(C)[C@@H](C)N(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000027183778 368236647 /nfs/dbraw/zinc/23/66/47/368236647.db2.gz GEGPNOHKFDYJGD-SECBINFHSA-N -1 3 246.314 2.074 20 0 BEADHM CC(C)[C@H](C)N(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000027183785 368236850 /nfs/dbraw/zinc/23/68/50/368236850.db2.gz GEGPNOHKFDYJGD-VIFPVBQESA-N -1 3 246.314 2.074 20 0 BEADHM Cc1ccc(CCNC(=O)c2ccccc2[O-])o1 ZINC000031420791 368251371 /nfs/dbraw/zinc/25/13/71/368251371.db2.gz AXSSJOJDIYKDNU-UHFFFAOYSA-N -1 3 245.278 2.266 20 0 BEADHM O=C(CC[C@H]1CCCO1)Nc1ccccc1[O-] ZINC000047430838 368461813 /nfs/dbraw/zinc/46/18/13/368461813.db2.gz SOYNEPOKADISKI-SNVBAGLBSA-N -1 3 235.283 2.290 20 0 BEADHM CCO[N-]C(=O)C[C@H](C)c1ccccc1 ZINC000068744634 368733409 /nfs/dbraw/zinc/73/34/09/368733409.db2.gz VMQPNJPGVZZYHL-JTQLQIEISA-N -1 3 207.273 2.248 20 0 BEADHM CCC[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000069638813 368756118 /nfs/dbraw/zinc/75/61/18/368756118.db2.gz DQSKOHSKZYFMPL-QMMMGPOBSA-N -1 3 208.261 2.162 20 0 BEADHM Cc1occc1CN(C)CC1(CC(=O)[O-])CC1 ZINC000088256110 368908787 /nfs/dbraw/zinc/90/87/87/368908787.db2.gz BZKSYQAYDPDWLM-UHFFFAOYSA-N -1 3 237.299 2.275 20 0 BEADHM C[C@]1(CNC(=O)c2cccc([O-])c2)CC1(F)F ZINC000618612035 369183820 /nfs/dbraw/zinc/18/38/20/369183820.db2.gz BGNGNMXQRABWEZ-LLVKDONJSA-N -1 3 241.237 2.167 20 0 BEADHM CC1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459294774 203249226 /nfs/dbraw/zinc/24/92/26/203249226.db2.gz CVAOSVZMRPKEOT-UHFFFAOYSA-N -1 3 247.342 2.292 20 0 BEADHM C[C@@H](C[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000619663626 369515807 /nfs/dbraw/zinc/51/58/07/369515807.db2.gz IHPWNQRHKZFEFM-QMMMGPOBSA-N -1 3 245.369 2.073 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)NCC1=CCCC1 ZINC000619997495 369653119 /nfs/dbraw/zinc/65/31/19/369653119.db2.gz KTPJWUIXGKSWST-UHFFFAOYSA-N -1 3 249.285 2.300 20 0 BEADHM COc1cccc(C(=O)NCC2=CCCC2)c1[O-] ZINC000620003843 369659112 /nfs/dbraw/zinc/65/91/12/369659112.db2.gz TWLQIXUVCGKTOJ-UHFFFAOYSA-N -1 3 247.294 2.241 20 0 BEADHM COc1ccc([O-])c(C(=O)NCC2=CCCC2)c1 ZINC000620003854 369659331 /nfs/dbraw/zinc/65/93/31/369659331.db2.gz UFKIIBFXNXXNJP-UHFFFAOYSA-N -1 3 247.294 2.241 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CC3CC2(C)C3)c1 ZINC000621210777 370152291 /nfs/dbraw/zinc/15/22/91/370152291.db2.gz FLCOXXSBOBCNPM-UHFFFAOYSA-N -1 3 247.294 2.025 20 0 BEADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC1 ZINC000621324589 370254192 /nfs/dbraw/zinc/25/41/92/370254192.db2.gz RBSBVBWOINHHOD-UHFFFAOYSA-N -1 3 245.200 2.257 20 0 BEADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cc(F)c[n-]c1=O ZINC000621720950 370470688 /nfs/dbraw/zinc/47/06/88/370470688.db2.gz WUZSUWVDWRNRCO-HTQZYQBOSA-N -1 3 240.278 2.091 20 0 BEADHM CCC(C)(C)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621973564 370629960 /nfs/dbraw/zinc/62/99/60/370629960.db2.gz QIULXSOVFQNAPC-UHFFFAOYSA-N -1 3 240.278 2.092 20 0 BEADHM CC[C@@H](NC(=O)c1c(C)cccc1[O-])C(F)F ZINC000627563897 371711538 /nfs/dbraw/zinc/71/15/38/371711538.db2.gz WHPJIXUVEJWSSS-MRVPVSSYSA-N -1 3 243.253 2.474 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000627687445 371844575 /nfs/dbraw/zinc/84/45/75/371844575.db2.gz KCESKTSRAFBEQQ-RYUDHWBXSA-N -1 3 245.322 2.477 20 0 BEADHM CCN(C)Cc1cc(F)c([O-])c(F)c1 ZINC000132542501 371857664 /nfs/dbraw/zinc/85/76/64/371857664.db2.gz SUMLCOSHTMTHIR-UHFFFAOYSA-N -1 3 201.216 2.122 20 0 BEADHM CC[C@@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132694348 371898494 /nfs/dbraw/zinc/89/84/94/371898494.db2.gz VDCULZAJTXYUEJ-MRVPVSSYSA-N -1 3 225.263 2.194 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000632265254 372845550 /nfs/dbraw/zinc/84/55/50/372845550.db2.gz RBWBSGZMFXVNSB-GMTAPVOTSA-N -1 3 249.310 2.453 20 0 BEADHM CCC(C)(C)CC[N-]S(=O)(=O)c1ccco1 ZINC000632642275 373049801 /nfs/dbraw/zinc/04/98/01/373049801.db2.gz RAAQBMCJTVMAOM-UHFFFAOYSA-N -1 3 245.344 2.384 20 0 BEADHM O=C(N=c1cco[n-]1)N1CC[C@@H](C2CCCC2)C1 ZINC000333554014 182087140 /nfs/dbraw/zinc/08/71/40/182087140.db2.gz PQBGBJRMILEVCH-LLVKDONJSA-N -1 3 249.314 2.141 20 0 BEADHM O=C(NC1CCSCC1)c1cccc([O-])c1 ZINC000163670379 182118668 /nfs/dbraw/zinc/11/86/68/182118668.db2.gz CGKCOSBISYDVOV-UHFFFAOYSA-N -1 3 237.324 2.018 20 0 BEADHM O=C([N-]OCC1CC1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000293809922 182281932 /nfs/dbraw/zinc/28/19/32/182281932.db2.gz QMVYRWRMTCGGII-OLZOCXBDSA-N -1 3 249.285 2.387 20 0 BEADHM [O-]C(=NOCC1CC1)Nc1cc(C2CC2)ccn1 ZINC000297237258 182282342 /nfs/dbraw/zinc/28/23/42/182282342.db2.gz AVRWDIJHFJPTDE-UHFFFAOYSA-N -1 3 247.298 2.422 20 0 BEADHM O=C([N-]OCC1CC1)Nc1cc(C2CC2)ccn1 ZINC000297237258 182282345 /nfs/dbraw/zinc/28/23/45/182282345.db2.gz AVRWDIJHFJPTDE-UHFFFAOYSA-N -1 3 247.298 2.422 20 0 BEADHM O=C([N-]OCc1ccc(F)cc1)C1[C@@H]2CCC[C@H]12 ZINC000186464885 182283753 /nfs/dbraw/zinc/28/37/53/182283753.db2.gz GAUXJLXULAYQKN-FUNVUKJBSA-N -1 3 249.285 2.420 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])c1cncnc1 ZINC000354989320 182347830 /nfs/dbraw/zinc/34/78/30/182347830.db2.gz XHCVYNSZUNTIEH-UHFFFAOYSA-N -1 3 249.657 2.088 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])c1cn[nH]c1 ZINC000109091681 182347966 /nfs/dbraw/zinc/34/79/66/182347966.db2.gz POMDDIIRXBWKPO-UHFFFAOYSA-N -1 3 237.646 2.021 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCCS1 ZINC000082879367 182361114 /nfs/dbraw/zinc/36/11/14/182361114.db2.gz OLVQUDITBLLDFR-JTQLQIEISA-N -1 3 241.287 2.365 20 0 BEADHM O=C(Nc1ccccn1)c1cccc([O-])c1 ZINC000019837356 182382471 /nfs/dbraw/zinc/38/24/71/182382471.db2.gz LXVCGBPQMKHOSH-UHFFFAOYSA-N -1 3 214.224 2.040 20 0 BEADHM O=C(Nc1ccncc1)c1cccc([O-])c1 ZINC000019837692 182388254 /nfs/dbraw/zinc/38/82/54/182388254.db2.gz DIUNGVTXNLORBP-UHFFFAOYSA-N -1 3 214.224 2.040 20 0 BEADHM CCCN(C(=O)c1cccc(OC)c1[O-])C1CC1 ZINC000037097617 169047944 /nfs/dbraw/zinc/04/79/44/169047944.db2.gz QSXAQNWQFRMRJN-UHFFFAOYSA-N -1 3 249.310 2.415 20 0 BEADHM CCCN(CC)C(=O)c1cc(OC)ccc1[O-] ZINC000055468341 169117734 /nfs/dbraw/zinc/11/77/34/169117734.db2.gz ARFGQZJIORFGEU-UHFFFAOYSA-N -1 3 237.299 2.273 20 0 BEADHM [O-]c1ccc(-c2noc(C3CCOCC3)n2)cc1 ZINC000061673072 183265405 /nfs/dbraw/zinc/26/54/05/183265405.db2.gz YPBHAPJDBYQBBT-UHFFFAOYSA-N -1 3 246.266 2.336 20 0 BEADHM [O-]c1ccc(-c2noc(CC3CC3)n2)cc1 ZINC000049731304 183265687 /nfs/dbraw/zinc/26/56/87/183265687.db2.gz SOTIZKLXLBPWRA-UHFFFAOYSA-N -1 3 216.240 2.395 20 0 BEADHM [O-]c1ccc(-c2noc([C@@H]3CCCOC3)n2)cc1 ZINC000062238327 183265914 /nfs/dbraw/zinc/26/59/14/183265914.db2.gz OBHDGRQORKVVTR-SNVBAGLBSA-N -1 3 246.266 2.336 20 0 BEADHM [O-]c1cccc(CNC2CC2)c1Br ZINC000306334086 183289199 /nfs/dbraw/zinc/28/91/99/183289199.db2.gz RJEPQUMZHMPJHD-UHFFFAOYSA-N -1 3 242.116 2.407 20 0 BEADHM CCCOCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153565648 169307757 /nfs/dbraw/zinc/30/77/57/169307757.db2.gz MIXGWUBGPIOGGD-UHFFFAOYSA-N -1 3 243.690 2.411 20 0 BEADHM CCCSCC(=O)Nc1ccccc1[O-] ZINC000298700442 169338307 /nfs/dbraw/zinc/33/83/07/169338307.db2.gz OYMMVQNDKGKRGA-UHFFFAOYSA-N -1 3 225.313 2.474 20 0 BEADHM [O-]c1ccc(-c2nc([C@H]3CCCN3)no2)c(F)c1 ZINC000647145914 383847281 /nfs/dbraw/zinc/84/72/81/383847281.db2.gz IMBSATWPCVXIJJ-SNVBAGLBSA-N -1 3 249.245 2.006 20 0 BEADHM Cc1ccc(-c2nc([C@@H]3CCCN3)no2)c([O-])c1 ZINC000647146775 383870026 /nfs/dbraw/zinc/87/00/26/383870026.db2.gz BPWLMKGPHAWTIQ-JTQLQIEISA-N -1 3 245.282 2.175 20 0 BEADHM CCC[C@@H](NCc1cccc(F)c1F)C(=O)[O-] ZINC000036889043 383915802 /nfs/dbraw/zinc/91/58/02/383915802.db2.gz YDUIITVCCIHICB-SNVBAGLBSA-N -1 3 243.253 2.308 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]2C)c1 ZINC000309372658 383921058 /nfs/dbraw/zinc/92/10/58/383921058.db2.gz BLKZBDOXLXAYPK-MWLCHTKSSA-N -1 3 219.284 2.229 20 0 BEADHM COC(=O)c1cccc2nc(C(F)F)[n-]c21 ZINC000089195141 383941994 /nfs/dbraw/zinc/94/19/94/383941994.db2.gz OSSQSNRYTWUFGF-UHFFFAOYSA-N -1 3 226.182 2.287 20 0 BEADHM COC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000089195141 383941997 /nfs/dbraw/zinc/94/19/97/383941997.db2.gz OSSQSNRYTWUFGF-UHFFFAOYSA-N -1 3 226.182 2.287 20 0 BEADHM CCO[N-]C(=O)CCOc1c(C)cccc1C ZINC000068063063 383969713 /nfs/dbraw/zinc/96/97/13/383969713.db2.gz TZNKZTUYKBMFHB-UHFFFAOYSA-N -1 3 237.299 2.140 20 0 BEADHM CCC[C@@H]1CN(C(=O)c2ccccc2[O-])CCO1 ZINC000089944596 384013445 /nfs/dbraw/zinc/01/34/45/384013445.db2.gz ULNNHHUOYCSZGF-LLVKDONJSA-N -1 3 249.310 2.033 20 0 BEADHM CN(Cc1nccs1)C(=O)c1ccccc1[O-] ZINC000074810357 384034859 /nfs/dbraw/zinc/03/48/59/384034859.db2.gz FVZTZMOUKITECO-UHFFFAOYSA-N -1 3 248.307 2.121 20 0 BEADHM c1nc(C[N-]c2nc(C3CC3)no2)cs1 ZINC000076685245 384060560 /nfs/dbraw/zinc/06/05/60/384060560.db2.gz BZCBJQDMFKQXTJ-UHFFFAOYSA-N -1 3 222.273 2.016 20 0 BEADHM CO[N-]C(=O)CCCc1c[nH]c2ccccc12 ZINC000070273673 384095947 /nfs/dbraw/zinc/09/59/47/384095947.db2.gz UGDYMDLAKXUSBS-UHFFFAOYSA-N -1 3 232.283 2.168 20 0 BEADHM Cc1ccc(NC(=O)CC2CCOCC2)c([O-])c1 ZINC000117411640 384173884 /nfs/dbraw/zinc/17/38/84/384173884.db2.gz BMXGKKATYPVYJQ-UHFFFAOYSA-N -1 3 249.310 2.456 20 0 BEADHM CO[C@H](C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116979395 384160131 /nfs/dbraw/zinc/16/01/31/384160131.db2.gz MHXWUALZVXTJFA-SSDOTTSWSA-N -1 3 243.690 2.327 20 0 BEADHM O=C(C=C1CCC1)NCc1ccc([O-])c(F)c1 ZINC000132406832 384229076 /nfs/dbraw/zinc/22/90/76/384229076.db2.gz VYIDFXCUGVOLSG-UHFFFAOYSA-N -1 3 235.258 2.258 20 0 BEADHM Cc1ccc([O-])c(CN(C)Cc2nccs2)n1 ZINC000093582208 384251421 /nfs/dbraw/zinc/25/14/21/384251421.db2.gz CXAAPDQGLKGAMN-UHFFFAOYSA-N -1 3 249.339 2.184 20 0 BEADHM CCCCN(CC)C(=O)/C=C/c1cncc([O-])c1 ZINC000179386610 384287086 /nfs/dbraw/zinc/28/70/86/384287086.db2.gz XAZNJQXSPJKUGS-VOTSOKGWSA-N -1 3 248.326 2.449 20 0 BEADHM CCC(C)(CC)NC(=O)/C=C/c1cncc([O-])c1 ZINC000179496673 384294219 /nfs/dbraw/zinc/29/42/19/384294219.db2.gz MJFZDFQJOPWFPK-VOTSOKGWSA-N -1 3 248.326 2.495 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@H](C)C2)c1 ZINC000075412494 384323845 /nfs/dbraw/zinc/32/38/45/384323845.db2.gz TXPPYPHQBAQLMZ-GHMZBOCLSA-N -1 3 233.311 2.429 20 0 BEADHM Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC000075411977 384324138 /nfs/dbraw/zinc/32/41/38/384324138.db2.gz ZZURXAJOLQACCB-QWRGUYRKSA-N -1 3 233.311 2.429 20 0 BEADHM O=C(c1ccc(O)cc1[O-])N1CC[C@@H]2CCC[C@@H]21 ZINC000334250158 384411375 /nfs/dbraw/zinc/41/13/75/384411375.db2.gz YZXVYLIWGNSFEV-CABZTGNLSA-N -1 3 247.294 2.112 20 0 BEADHM O=C(c1ccc(O)cc1[O-])N1CC[C@@H]2CCC[C@H]21 ZINC000334250159 384411524 /nfs/dbraw/zinc/41/15/24/384411524.db2.gz YZXVYLIWGNSFEV-JOYOIKCWSA-N -1 3 247.294 2.112 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](C)C[C@@H]2C)n1 ZINC000121407106 384414458 /nfs/dbraw/zinc/41/44/58/384414458.db2.gz BHFFTAJGOYJLOZ-MNOVXSKESA-N -1 3 249.358 2.365 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCCC(C)(C)C2)n1 ZINC000120859540 384383772 /nfs/dbraw/zinc/38/37/72/384383772.db2.gz SWRKEHQUOIURJI-UHFFFAOYSA-N -1 3 249.358 2.367 20 0 BEADHM Cc1cc(C(=O)N[C@H](C)C(C)(F)F)ccc1[O-] ZINC000335657180 384457617 /nfs/dbraw/zinc/45/76/17/384457617.db2.gz NAMZAFCURVENHE-MRVPVSSYSA-N -1 3 243.253 2.474 20 0 BEADHM CC(C)CO[N-]C(=O)Cc1ccc2c(c1)CCC2 ZINC000135326393 384433398 /nfs/dbraw/zinc/43/33/98/384433398.db2.gz HRXVPSURNSGVQV-UHFFFAOYSA-N -1 3 247.338 2.422 20 0 BEADHM C[C@@]1(c2nc(-c3ccc([O-])cc3)no2)C[C@@H]1F ZINC000335653162 384440519 /nfs/dbraw/zinc/44/05/19/384440519.db2.gz USRGVHRMJYTROW-JOYOIKCWSA-N -1 3 234.230 2.442 20 0 BEADHM Cc1ccc(NC(=O)[C@@]2(C)C[C@@H]2F)c([O-])c1 ZINC000335653203 384441183 /nfs/dbraw/zinc/44/11/83/384441183.db2.gz XQNFXLNVSQJDEK-JQWIXIFHSA-N -1 3 223.247 2.387 20 0 BEADHM Cc1cnccc1NC(=O)[N-]OCC(C)C ZINC000122142291 384460980 /nfs/dbraw/zinc/46/09/80/384460980.db2.gz ISRTZWWAVOOVEP-UHFFFAOYSA-N -1 3 223.276 2.099 20 0 BEADHM Cc1ccc([O-])c(C(=O)NOC2CCCC2)c1 ZINC000135690803 384462359 /nfs/dbraw/zinc/46/23/59/384462359.db2.gz MXUHWEKWAFTBTQ-UHFFFAOYSA-N -1 3 235.283 2.305 20 0 BEADHM CC[C@H](C)CN(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000255386308 384508397 /nfs/dbraw/zinc/50/83/97/384508397.db2.gz NJMYKEBPHWKCRB-GZTOBOFZSA-N -1 3 248.326 2.305 20 0 BEADHM C[C@H]1CCC[C@H](NC(=O)Cc2cncc([O-])c2)C1 ZINC000561136293 384522507 /nfs/dbraw/zinc/52/25/07/384522507.db2.gz VCZRTOGVSBLCIP-JQWIXIFHSA-N -1 3 248.326 2.025 20 0 BEADHM O=[S@@](C[C@H]1CCCCO1)c1cccc([O-])c1 ZINC000184067068 384560402 /nfs/dbraw/zinc/56/04/02/384560402.db2.gz LAQPERMIBFQRRH-BZNIZROVSA-N -1 3 240.324 2.069 20 0 BEADHM Cc1ccoc1CNC1CCC(C(=O)[O-])CC1 ZINC000229550902 384562359 /nfs/dbraw/zinc/56/23/59/384562359.db2.gz VRMROYHQCWQTNE-UHFFFAOYSA-N -1 3 237.299 2.321 20 0 BEADHM Cc1ccc([O-])c(CN[C@H]2CCC[C@H]2F)n1 ZINC000335895672 384577982 /nfs/dbraw/zinc/57/79/82/384577982.db2.gz NZQMBMBHOKTKKP-ZJUUUORDSA-N -1 3 224.279 2.076 20 0 BEADHM CCCC(=O)[N-]OCc1ccc(F)cc1 ZINC000184217614 384578673 /nfs/dbraw/zinc/57/86/73/384578673.db2.gz VDWMIMPGSYILMF-UHFFFAOYSA-N -1 3 211.236 2.174 20 0 BEADHM O=C(c1cccc([O-])c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000123701596 384579012 /nfs/dbraw/zinc/57/90/12/384579012.db2.gz FWVMPAHQNAAYHR-VXGBXAGGSA-N -1 3 231.295 2.264 20 0 BEADHM C[C@H]1c2ccsc2CCN1CCC(=O)[O-] ZINC000044293601 384584126 /nfs/dbraw/zinc/58/41/26/384584126.db2.gz LNYMLZSSEMLPDX-QMMMGPOBSA-N -1 3 225.313 2.142 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000184110279 384567078 /nfs/dbraw/zinc/56/70/78/384567078.db2.gz ZPCXDJIEWFXALW-UHFFFAOYSA-N -1 3 236.271 2.271 20 0 BEADHM C[C@H](c1ccccn1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000518769442 384614457 /nfs/dbraw/zinc/61/44/57/384614457.db2.gz VKTZMHGVYFCYHB-IJLUTSLNSA-N -1 3 248.326 2.185 20 0 BEADHM CC[C@@H](CSC)NC(=O)c1ccccc1[O-] ZINC000162404298 384615552 /nfs/dbraw/zinc/61/55/52/384615552.db2.gz MFKFNJXTACWLAP-VIFPVBQESA-N -1 3 239.340 2.264 20 0 BEADHM CC1(C)CC[C@@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000220259959 384615871 /nfs/dbraw/zinc/61/58/71/384615871.db2.gz JGWFSHRYWMNLAQ-SECBINFHSA-N -1 3 249.310 2.406 20 0 BEADHM O=C([O-])CC1CCN(Cc2cccs2)CC1 ZINC000020479829 384619870 /nfs/dbraw/zinc/61/98/70/384619870.db2.gz AQFWENKKINTGDM-UHFFFAOYSA-N -1 3 239.340 2.435 20 0 BEADHM CCc1cc(=O)[n-]c(CSC[C@H](C)OC)n1 ZINC000184600285 384626170 /nfs/dbraw/zinc/62/61/70/384626170.db2.gz UFXKAXYKBJNIGN-QMMMGPOBSA-N -1 3 242.344 2.013 20 0 BEADHM C[C@@H]1C[C@H](NC(=O)c2ccccc2[O-])CS1 ZINC000335203680 384667050 /nfs/dbraw/zinc/66/70/50/384667050.db2.gz WFRBOAHTSHSEKP-BDAKNGLRSA-N -1 3 237.324 2.016 20 0 BEADHM Cc1ccc(C(=O)NOCC(C)C)c([O-])c1C ZINC000124538099 384650031 /nfs/dbraw/zinc/65/00/31/384650031.db2.gz PUYRIAPFNQGIKE-UHFFFAOYSA-N -1 3 237.299 2.326 20 0 BEADHM Cc1ccc(C(=O)N[C@@H]2CC2(C)C)c([O-])c1 ZINC000044365759 384654086 /nfs/dbraw/zinc/65/40/86/384654086.db2.gz GHFRLFSCYQIVTP-LLVKDONJSA-N -1 3 219.284 2.229 20 0 BEADHM COc1cc(C(=O)N2CCCC[C@@H]2C)ccc1[O-] ZINC000082265690 384656218 /nfs/dbraw/zinc/65/62/18/384656218.db2.gz XZAMVKSGUDJPAT-JTQLQIEISA-N -1 3 249.310 2.415 20 0 BEADHM [O-]c1ccc(-c2noc(-c3ccon3)n2)cc1 ZINC000044586574 384658250 /nfs/dbraw/zinc/65/82/50/384658250.db2.gz NSUFZKKTZUJQGM-UHFFFAOYSA-N -1 3 229.195 2.097 20 0 BEADHM CCOCCNCc1cccc([O-])c1Cl ZINC000294228078 384684565 /nfs/dbraw/zinc/68/45/65/384684565.db2.gz SRDOCAYWFDNXLS-UHFFFAOYSA-N -1 3 229.707 2.172 20 0 BEADHM C[C@@H](CCC1CC1)NC(=O)c1ccc(O)cc1[O-] ZINC000398159232 384824444 /nfs/dbraw/zinc/82/44/44/384824444.db2.gz HRYQVUZMACXTBQ-VIFPVBQESA-N -1 3 249.310 2.406 20 0 BEADHM CO[C@@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186268920 384831570 /nfs/dbraw/zinc/83/15/70/384831570.db2.gz YWKRLTFORGJJMC-ZJUUUORDSA-N -1 3 249.310 2.267 20 0 BEADHM CC[C@H](C)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000255545149 384789031 /nfs/dbraw/zinc/78/90/31/384789031.db2.gz KOSXBODEQKIPLV-OMMCCPJFSA-N -1 3 234.299 2.057 20 0 BEADHM CCOCCC(=O)Nc1c([O-])cccc1Cl ZINC000557183829 384870010 /nfs/dbraw/zinc/87/00/10/384870010.db2.gz PHGMVQNSODJBRA-UHFFFAOYSA-N -1 3 243.690 2.411 20 0 BEADHM CC[C@H](OC)C(=O)Nc1c([O-])cccc1Cl ZINC000557181860 384870246 /nfs/dbraw/zinc/87/02/46/384870246.db2.gz CAKJYTHPVTVVJI-VIFPVBQESA-N -1 3 243.690 2.409 20 0 BEADHM CO[N-]C(=O)CCCc1cc(C)sc1C ZINC000084580815 384883546 /nfs/dbraw/zinc/88/35/46/384883546.db2.gz YZTVMXNMTOGSBX-UHFFFAOYSA-N -1 3 227.329 2.365 20 0 BEADHM CCO[N-]C(=O)Nc1cc(F)c(OC)cc1C ZINC000186857624 384890348 /nfs/dbraw/zinc/89/03/48/384890348.db2.gz ABIDJDMZINYSEM-UHFFFAOYSA-N -1 3 242.250 2.216 20 0 BEADHM O=C(Cc1cncc([O-])c1)NCC1CCCCC1 ZINC000557416243 384935898 /nfs/dbraw/zinc/93/58/98/384935898.db2.gz BYBWFFHDCNELLV-UHFFFAOYSA-N -1 3 248.326 2.026 20 0 BEADHM CCC1(C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000175658982 384939444 /nfs/dbraw/zinc/93/94/44/384939444.db2.gz JDBOWPKWCRHGKZ-UHFFFAOYSA-N -1 3 245.369 2.217 20 0 BEADHM CCOC([O-])=NOCCCCC1CCOCC1 ZINC000497289042 384948692 /nfs/dbraw/zinc/94/86/92/384948692.db2.gz JLSDBUUGBWRCJX-UHFFFAOYSA-N -1 3 245.319 2.261 20 0 BEADHM CCOC(=O)[N-]OCCCCC1CCOCC1 ZINC000497289042 384948700 /nfs/dbraw/zinc/94/87/00/384948700.db2.gz JLSDBUUGBWRCJX-UHFFFAOYSA-N -1 3 245.319 2.261 20 0 BEADHM CCc1ccc(CN[C@@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC000644596903 384993692 /nfs/dbraw/zinc/99/36/92/384993692.db2.gz JPDXPTMPJOGZNL-VHSXEESVSA-N -1 3 237.299 2.185 20 0 BEADHM CC(C)(C)c1cccc([N-]S(C)(=O)=O)c1O ZINC000095709900 385007232 /nfs/dbraw/zinc/00/72/32/385007232.db2.gz YIRNZYNPCJTKJT-UHFFFAOYSA-N -1 3 243.328 2.061 20 0 BEADHM C[C@H](C(=O)Nc1ccccc1[O-])C1CC1 ZINC000175812158 384963183 /nfs/dbraw/zinc/96/31/83/384963183.db2.gz ABNYXGKOGCYYJY-QMMMGPOBSA-N -1 3 205.257 2.377 20 0 BEADHM CCO[N-]C(=O)CCCOc1ccccc1F ZINC000059856858 385057982 /nfs/dbraw/zinc/05/79/82/385057982.db2.gz ICPIMEMKCCIOJL-UHFFFAOYSA-N -1 3 241.262 2.052 20 0 BEADHM CCN(C)C(=O)[C@H](C)[N-]c1nc2ccccc2o1 ZINC000188510722 385061962 /nfs/dbraw/zinc/06/19/62/385061962.db2.gz WACOJIAQYILEPO-VIFPVBQESA-N -1 3 247.298 2.107 20 0 BEADHM CCc1cc(C(=O)NCCC2CC2)ccc1[O-] ZINC000291942008 385068403 /nfs/dbraw/zinc/06/84/03/385068403.db2.gz NMTFZSSBSDQJDO-UHFFFAOYSA-N -1 3 233.311 2.485 20 0 BEADHM Cc1ccc(-c2nc([C@H]3CCOC3)no2)c([O-])c1 ZINC000087810089 385035516 /nfs/dbraw/zinc/03/55/16/385035516.db2.gz IXTBPCYQDKSOPR-VIFPVBQESA-N -1 3 246.266 2.255 20 0 BEADHM Cc1ccc(-c2nc([C@@H]3CCOC3)no2)c([O-])c1 ZINC000087810087 385036000 /nfs/dbraw/zinc/03/60/00/385036000.db2.gz IXTBPCYQDKSOPR-SECBINFHSA-N -1 3 246.266 2.255 20 0 BEADHM Cc1ccc(C(=O)NCCC(C)C)c([O-])c1 ZINC000019838559 385114174 /nfs/dbraw/zinc/11/41/74/385114174.db2.gz ANHCOOMQLWQRIF-UHFFFAOYSA-N -1 3 221.300 2.477 20 0 BEADHM CCC1(C)CN(C(=O)c2ccccc2[O-])C1 ZINC000291000728 385128063 /nfs/dbraw/zinc/12/80/63/385128063.db2.gz BRCVMKLOTORIMI-UHFFFAOYSA-N -1 3 219.284 2.264 20 0 BEADHM O=[S@@](C[C@H]1CCCCO1)c1ccc([O-])cc1 ZINC000176437644 385086967 /nfs/dbraw/zinc/08/69/67/385086967.db2.gz RWCFBUGTKIRUGG-BZNIZROVSA-N -1 3 240.324 2.069 20 0 BEADHM CC(C)(C)c1ncc(CNCCC(=O)[O-])s1 ZINC000062838843 385191109 /nfs/dbraw/zinc/19/11/09/385191109.db2.gz QKDHCIPUUJDKJN-UHFFFAOYSA-N -1 3 242.344 2.005 20 0 BEADHM CC(C)CO[N-]C(=O)CCC(=O)c1ccccc1 ZINC000153390750 385251785 /nfs/dbraw/zinc/25/17/85/385251785.db2.gz HFQSILJHPSHRCN-UHFFFAOYSA-N -1 3 249.310 2.353 20 0 BEADHM CCc1cc(=O)[n-]c(CN(C)C2CCCC2)n1 ZINC000177508562 385252942 /nfs/dbraw/zinc/25/29/42/385252942.db2.gz JDLJGIZNVSNSBW-UHFFFAOYSA-N -1 3 235.331 2.119 20 0 BEADHM CCc1ccc(C(=O)N[C@H]2CC23CC3)c([O-])c1 ZINC000424961375 385255793 /nfs/dbraw/zinc/25/57/93/385255793.db2.gz ASTFVXVQCJERGY-LBPRGKRZSA-N -1 3 231.295 2.237 20 0 BEADHM CCCCN(C)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000177912483 385305927 /nfs/dbraw/zinc/30/59/27/385305927.db2.gz POUOPIBGBVKKNH-JTQLQIEISA-N -1 3 223.320 2.284 20 0 BEADHM COC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000307766480 385259731 /nfs/dbraw/zinc/25/97/31/385259731.db2.gz DRDIOXBRJZWHCE-LLVKDONJSA-N -1 3 249.310 2.033 20 0 BEADHM CCCCN(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000181864342 385273958 /nfs/dbraw/zinc/27/39/58/385273958.db2.gz PKYYXDCPDWVAKK-AATRIKPKSA-N -1 3 234.299 2.059 20 0 BEADHM CCCCNC(=O)c1ccc(C)cc1[O-] ZINC000019838387 385329248 /nfs/dbraw/zinc/32/92/48/385329248.db2.gz GBWNZBOFYAFMKH-UHFFFAOYSA-N -1 3 207.273 2.231 20 0 BEADHM CCc1cc(C(=O)Nc2cnoc2)ccc1[O-] ZINC000643969292 385329358 /nfs/dbraw/zinc/32/93/58/385329358.db2.gz BWDUWEZUGCWIFW-UHFFFAOYSA-N -1 3 232.239 2.195 20 0 BEADHM CCc1cc(C(=O)NC2CC=CC2)ccc1[O-] ZINC000644019955 385384462 /nfs/dbraw/zinc/38/44/62/385384462.db2.gz ISPUPBQYOSIIBW-UHFFFAOYSA-N -1 3 231.295 2.403 20 0 BEADHM CC(C)(C)c1nsc([N-]c2cn[nH]c2)n1 ZINC000158024024 385327978 /nfs/dbraw/zinc/32/79/78/385327978.db2.gz QPOCHEKAGABLFO-UHFFFAOYSA-N -1 3 223.305 2.302 20 0 BEADHM CC[C@](C)(OC)C(=O)Nc1ccc(C)cc1[O-] ZINC000170229975 385426007 /nfs/dbraw/zinc/42/60/07/385426007.db2.gz CKHGOXDQJXMPAW-ZDUSSCGKSA-N -1 3 237.299 2.454 20 0 BEADHM O=S(=O)([N-]c1cccc2[nH]ccc21)C1CC1 ZINC000171341060 385478709 /nfs/dbraw/zinc/47/87/09/385478709.db2.gz NHMHQXVNNJLOIB-UHFFFAOYSA-N -1 3 236.296 2.072 20 0 BEADHM O=C(CCc1ccsc1)Nc1ccncc1[O-] ZINC000109889649 385491431 /nfs/dbraw/zinc/49/14/31/385491431.db2.gz LLJKPNKMIUMYIP-UHFFFAOYSA-N -1 3 248.307 2.420 20 0 BEADHM CC[C@@H](O)CC(=O)Nc1ccc([O-])cc1Cl ZINC000616940306 385511670 /nfs/dbraw/zinc/51/16/70/385511670.db2.gz XILFIJXLFSSNRI-SSDOTTSWSA-N -1 3 243.690 2.145 20 0 BEADHM CC(C)(O)CC(=O)Nc1ccc([O-])cc1Cl ZINC000616940041 385512792 /nfs/dbraw/zinc/51/27/92/385512792.db2.gz SMGHUQXGSYSBCE-UHFFFAOYSA-N -1 3 243.690 2.145 20 0 BEADHM CC(C)[C@@H](C)CNC(=O)c1ccc(O)cc1[O-] ZINC000172451955 385534123 /nfs/dbraw/zinc/53/41/23/385534123.db2.gz OTRYTLPFESKRKZ-VIFPVBQESA-N -1 3 237.299 2.120 20 0 BEADHM CC(C)[C@H](C)CNC(=O)c1ccc(O)cc1[O-] ZINC000172451960 385535110 /nfs/dbraw/zinc/53/51/10/385535110.db2.gz OTRYTLPFESKRKZ-SECBINFHSA-N -1 3 237.299 2.120 20 0 BEADHM CC(=O)[N-]O[C@@H]1CCCc2ccccc21 ZINC000180802493 385548165 /nfs/dbraw/zinc/54/81/65/385548165.db2.gz GKXZIMLAQAFSLS-GFCCVEGCSA-N -1 3 205.257 2.132 20 0 BEADHM Cc1cc(C(=O)N[C@H]2CC[C@H]2C)ccc1[O-] ZINC000309402053 385571296 /nfs/dbraw/zinc/57/12/96/385571296.db2.gz HLCISAGJHHELMV-KCJUWKMLSA-N -1 3 219.284 2.229 20 0 BEADHM Cc1cc(C(=O)N[C@H]2CC[C@@H]2C)ccc1[O-] ZINC000309402056 385571688 /nfs/dbraw/zinc/57/16/88/385571688.db2.gz HLCISAGJHHELMV-KWQFWETISA-N -1 3 219.284 2.229 20 0 BEADHM Cc1noc(C)c1NC([O-])=NOCC(C)C ZINC000269632697 385615444 /nfs/dbraw/zinc/61/54/44/385615444.db2.gz AAZDPMIDIQXHDB-UHFFFAOYSA-N -1 3 227.264 2.001 20 0 BEADHM Cc1noc(C)c1NC(=O)[N-]OCC(C)C ZINC000269632697 385615445 /nfs/dbraw/zinc/61/54/45/385615445.db2.gz AAZDPMIDIQXHDB-UHFFFAOYSA-N -1 3 227.264 2.001 20 0 BEADHM Cc1ccc(C[N-]c2nnc([C@H]3CCCO3)o2)o1 ZINC000181970109 385624127 /nfs/dbraw/zinc/62/41/27/385624127.db2.gz FLIWJPWVPMQLQF-SNVBAGLBSA-N -1 3 249.270 2.435 20 0 BEADHM CN(C/C=C\c1ccccc1)CCC(=O)[O-] ZINC000216326604 385625198 /nfs/dbraw/zinc/62/51/98/385625198.db2.gz MSLAPWAGWMHJII-YVMONPNESA-N -1 3 219.284 2.106 20 0 BEADHM CN(Cc1cc(=O)oc2cc([O-])ccc12)C1CC1 ZINC000182044764 385629945 /nfs/dbraw/zinc/62/99/45/385629945.db2.gz MWOISSWVWCRQHV-UHFFFAOYSA-N -1 3 245.278 2.093 20 0 BEADHM C[C@@H]([N-]C(=O)C(F)F)c1ccc(Cl)cn1 ZINC000281356807 385660221 /nfs/dbraw/zinc/66/02/21/385660221.db2.gz YDQMFXMQGXGYPM-RXMQYKEDSA-N -1 3 234.633 2.177 20 0 BEADHM CC[C@](C)(OC)C(=O)Nc1cc(F)ccc1[O-] ZINC000281545982 385679157 /nfs/dbraw/zinc/67/91/57/385679157.db2.gz SKOLHEVVNZKNFJ-LBPRGKRZSA-N -1 3 241.262 2.285 20 0 BEADHM CC(C)(C)CCNC(=O)c1ccc(O)cc1[O-] ZINC000221635702 385680571 /nfs/dbraw/zinc/68/05/71/385680571.db2.gz ODDFXPPPJBIFGY-UHFFFAOYSA-N -1 3 237.299 2.264 20 0 BEADHM CCO[N-]C(=O)Nc1ccccc1N1CCCC1 ZINC000182895208 385717278 /nfs/dbraw/zinc/71/72/78/385717278.db2.gz NFRBNFIXTUELSH-UHFFFAOYSA-N -1 3 249.314 2.360 20 0 BEADHM Cc1nsc(C)c1C(=O)[N-]c1cnoc1 ZINC000645233500 385693382 /nfs/dbraw/zinc/69/33/82/385693382.db2.gz OZZPTKKZRDVYGG-UHFFFAOYSA-N -1 3 223.257 2.000 20 0 BEADHM CO[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC000281706403 385695078 /nfs/dbraw/zinc/69/50/78/385695078.db2.gz GWUHPWGJIRVTCW-WDEREUQCSA-N -1 3 249.310 2.032 20 0 BEADHM CC(C)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184779449 385711131 /nfs/dbraw/zinc/71/11/31/385711131.db2.gz HGJFOQCINAKOSJ-UHFFFAOYSA-N -1 3 233.311 2.409 20 0 BEADHM CCO[N-]C(=O)Nc1cccc(SC)c1 ZINC000182866648 385713928 /nfs/dbraw/zinc/71/39/28/385713928.db2.gz OFYFQNWLNMTWAQ-UHFFFAOYSA-N -1 3 226.301 2.482 20 0 BEADHM CCO[N-]C(=O)Nc1cc(F)ccc1C ZINC000182876487 385716055 /nfs/dbraw/zinc/71/60/55/385716055.db2.gz JTDFXGRSZHYVME-UHFFFAOYSA-N -1 3 212.224 2.207 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(OCC)cc1C ZINC000182944989 385723458 /nfs/dbraw/zinc/72/34/58/385723458.db2.gz RWRDLJVAFVVDAT-UHFFFAOYSA-N -1 3 238.287 2.467 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(OC)cc1C ZINC000182971626 385725459 /nfs/dbraw/zinc/72/54/59/385725459.db2.gz CHVUDGZBYBYYNI-UHFFFAOYSA-N -1 3 224.260 2.077 20 0 BEADHM Cc1cc(C(=O)N2C[C@H](C)[C@@H]2C)ccc1[O-] ZINC000294090950 385803799 /nfs/dbraw/zinc/80/37/99/385803799.db2.gz MHQHHWFBZNFADE-UWVGGRQHSA-N -1 3 219.284 2.181 20 0 BEADHM CCCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647800745 385809759 /nfs/dbraw/zinc/80/97/59/385809759.db2.gz BDDPLZIJOLEUDV-UHFFFAOYSA-N -1 3 233.271 2.397 20 0 BEADHM CCc1ccc(C(=O)N2C[C@H](C)[C@@H]2C)c([O-])c1 ZINC000294215219 385824210 /nfs/dbraw/zinc/82/42/10/385824210.db2.gz RDRKQIOZKHKIGS-UWVGGRQHSA-N -1 3 233.311 2.435 20 0 BEADHM COC[C@H](C)CNCc1c(F)ccc([O-])c1F ZINC000294282622 385832580 /nfs/dbraw/zinc/83/25/80/385832580.db2.gz PAKPSZPPKHMDQT-MRVPVSSYSA-N -1 3 245.269 2.043 20 0 BEADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccco1 ZINC000647803159 385838911 /nfs/dbraw/zinc/83/89/11/385838911.db2.gz FNULGTRSKTZADQ-UHFFFAOYSA-N -1 3 243.222 2.114 20 0 BEADHM CN(CCF)C(=O)c1cc([O-])ccc1Cl ZINC000294388744 385844417 /nfs/dbraw/zinc/84/44/17/385844417.db2.gz MNJJEAMGOIWZJB-UHFFFAOYSA-N -1 3 231.654 2.087 20 0 BEADHM Cc1cncc(/C=C/C(=O)[N-]OC2CCCC2)c1 ZINC000271850919 385854651 /nfs/dbraw/zinc/85/46/51/385854651.db2.gz ZXDKXYKEEYLBMR-VOTSOKGWSA-N -1 3 246.310 2.394 20 0 BEADHM CC(C)(C)CC(=O)[N-]OC/C=C/Cl ZINC000291722258 385905135 /nfs/dbraw/zinc/90/51/35/385905135.db2.gz DZZKIRATOZYDDD-SNAWJCMRSA-N -1 3 205.685 2.223 20 0 BEADHM Cc1ccc(F)c(CNC2(C(=O)[O-])CCC2)c1 ZINC000284333971 385864803 /nfs/dbraw/zinc/86/48/03/385864803.db2.gz UVGFOXPZSFTZJN-UHFFFAOYSA-N -1 3 237.274 2.231 20 0 BEADHM CCOCc1nnc([N-]Cc2occc2C)o1 ZINC000272022148 385867985 /nfs/dbraw/zinc/86/79/85/385867985.db2.gz CJLNXAOQLSWDGL-UHFFFAOYSA-N -1 3 237.259 2.120 20 0 BEADHM CSc1cccc(F)c1C[N-]C(=O)C(F)F ZINC000286064826 385991471 /nfs/dbraw/zinc/99/14/71/385991471.db2.gz VCAQLZIWUQVGLZ-UHFFFAOYSA-N -1 3 249.257 2.429 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C2CCCC2)n1 ZINC000273352777 385993014 /nfs/dbraw/zinc/99/30/14/385993014.db2.gz CHYKIKNSLUIAQD-UHFFFAOYSA-N -1 3 220.272 2.224 20 0 BEADHM CC(C)[C@@H](O)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000285726311 385960743 /nfs/dbraw/zinc/96/07/43/385960743.db2.gz JUQJNAWZCQOUKA-SNVBAGLBSA-N -1 3 243.690 2.001 20 0 BEADHM CC(C)C[C@H](N)c1noc(-c2ccccc2[O-])n1 ZINC000414618403 385962587 /nfs/dbraw/zinc/96/25/87/385962587.db2.gz MNBISSPZDGAWAX-JTQLQIEISA-N -1 3 247.298 2.488 20 0 BEADHM Cc1ccc([O-])c(NC(=O)CC(C)C)n1 ZINC000273540750 386011495 /nfs/dbraw/zinc/01/14/95/386011495.db2.gz SYJQFFJFZLFSRH-UHFFFAOYSA-N -1 3 208.261 2.080 20 0 BEADHM CC(=O)c1ccc(C(=O)[N-]c2ncc(C)o2)o1 ZINC000335894067 386017351 /nfs/dbraw/zinc/01/73/51/386017351.db2.gz LUTOEODEZKJKBB-UHFFFAOYSA-N -1 3 234.211 2.031 20 0 BEADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCSC1 ZINC000335071392 386022392 /nfs/dbraw/zinc/02/23/92/386022392.db2.gz DZAOUMQHNXFLGW-ZETCQYMHSA-N -1 3 241.287 2.223 20 0 BEADHM CCC[C@H](OC)C(=O)Nc1cc(F)ccc1[O-] ZINC000295427363 386028125 /nfs/dbraw/zinc/02/81/25/386028125.db2.gz WIYMSDDEYSWYNX-NSHDSACASA-N -1 3 241.262 2.285 20 0 BEADHM Cc1ccc(CCC(=O)[N-]OC(C)C)s1 ZINC000295445369 386033759 /nfs/dbraw/zinc/03/37/59/386033759.db2.gz AKTPGPAYJYIARZ-UHFFFAOYSA-N -1 3 227.329 2.445 20 0 BEADHM CCO[N-]C(=O)Nc1cccc(N2CCCC2)c1 ZINC000273788618 386035086 /nfs/dbraw/zinc/03/50/86/386035086.db2.gz YHWCMOGTXCZZES-UHFFFAOYSA-N -1 3 249.314 2.360 20 0 BEADHM O=C([O-])c1ccc2c(c1)CN(CC1CC1)CC2 ZINC000212070180 386110340 /nfs/dbraw/zinc/11/03/40/386110340.db2.gz VVNNQZWXIVAJNY-UHFFFAOYSA-N -1 3 231.295 2.153 20 0 BEADHM Cc1ccc(C(=O)N2CC(C3CC3)C2)c([O-])c1 ZINC000643291496 386068986 /nfs/dbraw/zinc/06/89/86/386068986.db2.gz XFTJLUHCRSFWPT-UHFFFAOYSA-N -1 3 231.295 2.183 20 0 BEADHM Cc1ccc(C(=O)N[C@H](C)CF)c([O-])c1C ZINC000287957342 386157063 /nfs/dbraw/zinc/15/70/63/386157063.db2.gz DCVVVRKIKRBQSU-MRVPVSSYSA-N -1 3 225.263 2.097 20 0 BEADHM CCc1ccc(C(=O)N[C@H](C)CF)c([O-])c1 ZINC000288311390 386184440 /nfs/dbraw/zinc/18/44/40/386184440.db2.gz RQOZJGJTKKSEOY-MRVPVSSYSA-N -1 3 225.263 2.042 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C)o1 ZINC000334466960 386130275 /nfs/dbraw/zinc/13/02/75/386130275.db2.gz VZNNKZIBYLGVKR-SCZZXKLOSA-N -1 3 243.328 2.055 20 0 BEADHM CSc1ccc(C)c(NC(=O)c2nc[n-]n2)c1 ZINC000334469751 386141245 /nfs/dbraw/zinc/14/12/45/386141245.db2.gz HLDMLLQZXHYGBV-UHFFFAOYSA-N -1 3 248.311 2.087 20 0 BEADHM Cc1ccc2[n-]cc(C(=O)N3CCC3)c(=O)c2c1 ZINC000288383934 386192893 /nfs/dbraw/zinc/19/28/93/386192893.db2.gz PICDQAVGSAFXMP-UHFFFAOYSA-N -1 3 242.278 2.095 20 0 BEADHM O=C([O-])C1(NCc2cc(Cl)cs2)CC1 ZINC000417533600 386288748 /nfs/dbraw/zinc/28/87/48/386288748.db2.gz NDRSRHKBYRGNPB-UHFFFAOYSA-N -1 3 231.704 2.108 20 0 BEADHM CSc1ccc(CNC2(C(=O)[O-])CC2)s1 ZINC000417534489 386310166 /nfs/dbraw/zinc/31/01/66/386310166.db2.gz OKXUSYBFHGJAMZ-UHFFFAOYSA-N -1 3 243.353 2.177 20 0 BEADHM CC(C)(C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000298288760 386319332 /nfs/dbraw/zinc/31/93/32/386319332.db2.gz CGLKLYPZDKZKMI-UHFFFAOYSA-N -1 3 234.259 2.049 20 0 BEADHM CC(C)(C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000298288760 386319339 /nfs/dbraw/zinc/31/93/39/386319339.db2.gz CGLKLYPZDKZKMI-UHFFFAOYSA-N -1 3 234.259 2.049 20 0 BEADHM CC(C)(C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000298288760 386319345 /nfs/dbraw/zinc/31/93/45/386319345.db2.gz CGLKLYPZDKZKMI-UHFFFAOYSA-N -1 3 234.259 2.049 20 0 BEADHM CC(F)(F)C(=O)[N-]Cc1cc(F)ccc1F ZINC000289111271 386262712 /nfs/dbraw/zinc/26/27/12/386262712.db2.gz DYKZAGQGEVYYDA-UHFFFAOYSA-N -1 3 235.180 2.236 20 0 BEADHM O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccccc1[O-] ZINC000424980254 386274722 /nfs/dbraw/zinc/27/47/22/386274722.db2.gz KMNIVPNKDHBMMY-NWDGAFQWSA-N -1 3 231.295 2.311 20 0 BEADHM CCO[N-]C(=O)Nc1cc(C)cnc1Cl ZINC000276143125 386279138 /nfs/dbraw/zinc/27/91/38/386279138.db2.gz FGOIUDDWDVIKNB-UHFFFAOYSA-N -1 3 229.667 2.116 20 0 BEADHM CC(C)=CCC[N-]S(=O)(=O)c1cccs1 ZINC000276574068 386345696 /nfs/dbraw/zinc/34/56/96/386345696.db2.gz BEWNIIBEDRJXQQ-UHFFFAOYSA-N -1 3 245.369 2.383 20 0 BEADHM Cc1cc(C(=O)NC[C@@H]2C[C@H]2C)ccc1[O-] ZINC000226716583 386368264 /nfs/dbraw/zinc/36/82/64/386368264.db2.gz FQNVVYBITZHZSB-KCJUWKMLSA-N -1 3 219.284 2.086 20 0 BEADHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]C(=O)C(C)(F)F ZINC000289661268 386339132 /nfs/dbraw/zinc/33/91/32/386339132.db2.gz FOFACLXPCWICJG-OIBJUYFYSA-N -1 3 241.237 2.280 20 0 BEADHM Cc1cc(C(=O)NCC(C)(C)C)ccc1[O-] ZINC000226979089 386438612 /nfs/dbraw/zinc/43/86/12/386438612.db2.gz BAHKUOWUOPWQNL-UHFFFAOYSA-N -1 3 221.300 2.477 20 0 BEADHM CCc1cc(=O)[n-]c(CN2C[C@H](C)C[C@@H]2CC)n1 ZINC000336718338 386439587 /nfs/dbraw/zinc/43/95/87/386439587.db2.gz VBUBGOPVBTXFJA-PWSUYJOCSA-N -1 3 249.358 2.365 20 0 BEADHM O=c1cc(-c2noc(C3=CCCCC3)n2)nc[n-]1 ZINC000351381087 386440262 /nfs/dbraw/zinc/44/02/62/386440262.db2.gz YEYQSILGYDVURC-UHFFFAOYSA-N -1 3 244.254 2.190 20 0 BEADHM Cc1cc(C(=O)NOCC(C)C)ccc1[O-] ZINC000226999633 386443967 /nfs/dbraw/zinc/44/39/67/386443967.db2.gz ZBGOLCJWJXUSQU-UHFFFAOYSA-N -1 3 223.272 2.018 20 0 BEADHM Cc1cc(C(=O)NCC2CCC2)ccc1[O-] ZINC000227018465 386448643 /nfs/dbraw/zinc/44/86/43/386448643.db2.gz PHZHBHKGGPFWMP-UHFFFAOYSA-N -1 3 219.284 2.231 20 0 BEADHM C[C@H]1CC[C@@H](c2nc(-c3cc(=O)[n-]cn3)no2)C1 ZINC000351373419 386412551 /nfs/dbraw/zinc/41/25/51/386412551.db2.gz QGHBWFLIOOPVEK-JGVFFNPUSA-N -1 3 246.270 2.136 20 0 BEADHM CC1(C(=O)Nc2nnc(-c3ccco3)[n-]2)CCC1 ZINC000299199879 386426479 /nfs/dbraw/zinc/42/64/79/386426479.db2.gz FXGJSKOOEPLRJY-UHFFFAOYSA-N -1 3 246.270 2.193 20 0 BEADHM CC1(C(=O)Nc2nc(-c3ccco3)n[n-]2)CCC1 ZINC000299199879 386426483 /nfs/dbraw/zinc/42/64/83/386426483.db2.gz FXGJSKOOEPLRJY-UHFFFAOYSA-N -1 3 246.270 2.193 20 0 BEADHM CC1(C(=O)Nc2n[n-]c(-c3ccco3)n2)CCC1 ZINC000299199879 386426488 /nfs/dbraw/zinc/42/64/88/386426488.db2.gz FXGJSKOOEPLRJY-UHFFFAOYSA-N -1 3 246.270 2.193 20 0 BEADHM CCCCCC(=O)Nc1nnc(SC)[n-]1 ZINC000299575560 386468517 /nfs/dbraw/zinc/46/85/17/386468517.db2.gz UPEAQIOKUOOOLN-UHFFFAOYSA-N -1 3 228.321 2.045 20 0 BEADHM CCCCCC(=O)Nc1nc(SC)n[n-]1 ZINC000299575560 386468525 /nfs/dbraw/zinc/46/85/25/386468525.db2.gz UPEAQIOKUOOOLN-UHFFFAOYSA-N -1 3 228.321 2.045 20 0 BEADHM CCCCCC(=O)Nc1n[n-]c(SC)n1 ZINC000299575560 386468533 /nfs/dbraw/zinc/46/85/33/386468533.db2.gz UPEAQIOKUOOOLN-UHFFFAOYSA-N -1 3 228.321 2.045 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C2(CCF)CC2)n1 ZINC000290801221 386475171 /nfs/dbraw/zinc/47/51/71/386475171.db2.gz ULKRUIACJNCAPO-UHFFFAOYSA-N -1 3 238.262 2.174 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@@H](F)C2)c([O-])c1C ZINC000335455183 386530837 /nfs/dbraw/zinc/53/08/37/386530837.db2.gz HRADZYVLQYFEGA-SNVBAGLBSA-N -1 3 237.274 2.193 20 0 BEADHM CCc1cc(C(=O)NCC2CCC2)ccc1[O-] ZINC000291367852 386536465 /nfs/dbraw/zinc/53/64/65/386536465.db2.gz ACRLXNSGDZSXAW-UHFFFAOYSA-N -1 3 233.311 2.485 20 0 BEADHM CC1(C(=O)[N-]OC/C=C/Cl)CCCC1 ZINC000292160367 386627462 /nfs/dbraw/zinc/62/74/62/386627462.db2.gz KMXYAVAXXNFEHZ-QPJJXVBHSA-N -1 3 217.696 2.367 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2C(C)C)n1 ZINC000268178917 386628036 /nfs/dbraw/zinc/62/80/36/386628036.db2.gz CESMASDAAVLNLZ-LBPRGKRZSA-N -1 3 249.358 2.365 20 0 BEADHM CO[C@@](C)(C(=O)[N-]c1onc(C)c1C)C1CC1 ZINC000292198424 386631546 /nfs/dbraw/zinc/63/15/46/386631546.db2.gz RIMVXGMTYFUZTC-GFCCVEGCSA-N -1 3 238.287 2.045 20 0 BEADHM CCc1cc(C(=O)N[C@H](C)CC(C)=O)ccc1[O-] ZINC000292221839 386635798 /nfs/dbraw/zinc/63/57/98/386635798.db2.gz QOEJWZYRZSTORS-SECBINFHSA-N -1 3 249.310 2.052 20 0 BEADHM O=C(N[C@H]1CCC[C@@H](F)C1)c1cccc([O-])c1 ZINC000335509711 386643563 /nfs/dbraw/zinc/64/35/63/386643563.db2.gz KCJMQUQRSJOAME-MNOVXSKESA-N -1 3 237.274 2.403 20 0 BEADHM O=C([N-]OC/C=C/Cl)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000291955025 386601944 /nfs/dbraw/zinc/60/19/44/386601944.db2.gz WZPOABLETRQLIK-AWPVOZKZSA-N -1 3 229.707 2.223 20 0 BEADHM CC/C=C\CN=c1[n-]c(C(C)=O)c(C)s1 ZINC000450696356 386604068 /nfs/dbraw/zinc/60/40/68/386604068.db2.gz SGFPORGFUPHTDI-WAYWQWQTSA-N -1 3 224.329 2.454 20 0 BEADHM CC/C=C/CN=c1[n-]c(C(C)=O)c(C)s1 ZINC000450696349 386605278 /nfs/dbraw/zinc/60/52/78/386605278.db2.gz SGFPORGFUPHTDI-AATRIKPKSA-N -1 3 224.329 2.454 20 0 BEADHM COc1cc(C(=O)N[C@@H]2CCC[C@H]2C)ccc1[O-] ZINC000268065484 386615540 /nfs/dbraw/zinc/61/55/40/386615540.db2.gz HADRYAZRKAJWDC-MWLCHTKSSA-N -1 3 249.310 2.319 20 0 BEADHM Cc1ccc(F)cc1CN1CC[C@@H](C(=O)[O-])C1 ZINC000097850453 386668447 /nfs/dbraw/zinc/66/84/47/386668447.db2.gz BTSUFFABQDLILT-SNVBAGLBSA-N -1 3 237.274 2.041 20 0 BEADHM Cc1ccc(NC(=O)C(C)(F)F)c([O-])c1 ZINC000292555916 386687967 /nfs/dbraw/zinc/68/79/67/386687967.db2.gz CNQDIYGEKWDMDQ-UHFFFAOYSA-N -1 3 215.199 2.294 20 0 BEADHM CN(C[C@H]1CCCCO1)C(=O)c1ccccc1[O-] ZINC000042356276 386688670 /nfs/dbraw/zinc/68/86/70/386688670.db2.gz ZXEDGLVFLQSSPI-LLVKDONJSA-N -1 3 249.310 2.033 20 0 BEADHM CO[C@H](C(=O)Nc1ccc(C)cc1[O-])C1CC1 ZINC000279688408 386719591 /nfs/dbraw/zinc/71/95/91/386719591.db2.gz FMGSEZUDTQSZTK-LBPRGKRZSA-N -1 3 235.283 2.064 20 0 BEADHM CCc1cc(=O)[n-]c(CNC2(C(C)C)CC2)n1 ZINC000293000052 386762389 /nfs/dbraw/zinc/76/23/89/386762389.db2.gz NAQYMRLBMUPIGI-UHFFFAOYSA-N -1 3 235.331 2.023 20 0 BEADHM CC(C)(C)CCCC(=O)Nc1ccncc1[O-] ZINC000330572749 386793642 /nfs/dbraw/zinc/79/36/42/386793642.db2.gz YXLLCQVTYVWALT-UHFFFAOYSA-N -1 3 236.315 2.364 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H]2F)c1 ZINC000340780714 386771456 /nfs/dbraw/zinc/77/14/56/386771456.db2.gz QBWXIXOXZCJRRX-GHMZBOCLSA-N -1 3 237.274 2.321 20 0 BEADHM Cc1ccc([O-])c(CN[C@H]2CSC2(C)C)n1 ZINC000282957990 386788633 /nfs/dbraw/zinc/78/86/33/386788633.db2.gz YGQSVYXATMYQGE-NSHDSACASA-N -1 3 238.356 2.079 20 0 BEADHM CCO[N-]C(=O)Nc1cc(OC)c(C)cc1C ZINC000280585409 386825159 /nfs/dbraw/zinc/82/51/59/386825159.db2.gz VFYZLSJOXHUAGH-UHFFFAOYSA-N -1 3 238.287 2.385 20 0 BEADHM CC(C)c1ccc(C(=O)N2CCCOC2)c([O-])c1 ZINC000293490000 386827000 /nfs/dbraw/zinc/82/70/00/386827000.db2.gz AMMRROMBFRMPAI-UHFFFAOYSA-N -1 3 249.310 2.336 20 0 BEADHM O=C(CCc1ccc(F)cc1)[N-]OCC1CC1 ZINC000293698444 386862949 /nfs/dbraw/zinc/86/29/49/386862949.db2.gz DDLOVIUALOSBQH-UHFFFAOYSA-N -1 3 237.274 2.216 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc(O)cc1 ZINC000293789029 386879058 /nfs/dbraw/zinc/87/90/58/386879058.db2.gz SAUUKYGCMARHTM-SNVBAGLBSA-N -1 3 237.299 2.029 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)CCCn1cccc1 ZINC000293837983 386887415 /nfs/dbraw/zinc/88/74/15/386887415.db2.gz WHXWAWHCTSNWJZ-GFCCVEGCSA-N -1 3 238.331 2.362 20 0 BEADHM O=C(Cc1ncccc1F)Nc1ccccc1[O-] ZINC000335769669 386913784 /nfs/dbraw/zinc/91/37/84/386913784.db2.gz NWKVNDPJLDDBJO-UHFFFAOYSA-N -1 3 246.241 2.108 20 0 BEADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1C1CC1 ZINC000368005582 386927465 /nfs/dbraw/zinc/92/74/65/386927465.db2.gz KGBUCVZMSLHJIW-GFCCVEGCSA-N -1 3 247.294 2.112 20 0 BEADHM O=C(Nc1ncccc1[O-])[C@@H]1CCC(F)(F)C1 ZINC000334870891 386930522 /nfs/dbraw/zinc/93/05/22/386930522.db2.gz DFIKJPATHXQGSY-SSDOTTSWSA-N -1 3 242.225 2.161 20 0 BEADHM CO[C@@H](C(=O)Nc1ccc(C)cc1[O-])C(C)C ZINC000350118410 386938087 /nfs/dbraw/zinc/93/80/87/386938087.db2.gz UMZDEJUWTAVUDB-GFCCVEGCSA-N -1 3 237.299 2.310 20 0 BEADHM O=C(CCC1CCCC1)NCc1ncccc1[O-] ZINC000331028885 386938154 /nfs/dbraw/zinc/93/81/54/386938154.db2.gz XEOQXBWJMCSQSS-UHFFFAOYSA-N -1 3 248.326 2.374 20 0 BEADHM CCC1(C(=O)NCc2ncccc2[O-])CCCC1 ZINC000331004812 386945435 /nfs/dbraw/zinc/94/54/35/386945435.db2.gz GXKUOSOZMJABJX-UHFFFAOYSA-N -1 3 248.326 2.374 20 0 BEADHM CC/C=C\CNC(=O)c1cccc(C)c1[O-] ZINC000395149791 386946115 /nfs/dbraw/zinc/94/61/15/386946115.db2.gz WNUBOOSWMPUXPJ-PLNGDYQASA-N -1 3 219.284 2.397 20 0 BEADHM CC(=O)c1ccc(C(=O)N(C)CC2CC2)cc1[O-] ZINC000332216244 386968808 /nfs/dbraw/zinc/96/88/08/386968808.db2.gz WWLMABCVFXTQOR-UHFFFAOYSA-N -1 3 247.294 2.077 20 0 BEADHM [O-]c1cccnc1CN1CCCc2occc2C1 ZINC000519034153 386992179 /nfs/dbraw/zinc/99/21/79/386992179.db2.gz IXXVLUVAVWSKOS-UHFFFAOYSA-N -1 3 244.294 2.329 20 0 BEADHM C[C@@H](CNC(=O)c1cccc([O-])c1)C(F)(F)F ZINC000358934399 387036223 /nfs/dbraw/zinc/03/62/23/387036223.db2.gz MWGPMATXIABNCV-ZETCQYMHSA-N -1 3 247.216 2.320 20 0 BEADHM CC(C)[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000227591165 387056297 /nfs/dbraw/zinc/05/62/97/387056297.db2.gz LYIYQQCCBITUSI-LBPRGKRZSA-N -1 3 249.310 2.358 20 0 BEADHM CS[C@@H](C)CCC(=O)Nc1ncccc1[O-] ZINC000359186270 387065961 /nfs/dbraw/zinc/06/59/61/387065961.db2.gz GEHMSBYAWSATAK-QMMMGPOBSA-N -1 3 240.328 2.257 20 0 BEADHM COC(=O)c1cnc(SCCC(C)C)[n-]1 ZINC000330507272 387025397 /nfs/dbraw/zinc/02/53/97/387025397.db2.gz HZRBFCXBZBNTKJ-UHFFFAOYSA-N -1 3 228.317 2.335 20 0 BEADHM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ncccc1[O-] ZINC000186774083 387139946 /nfs/dbraw/zinc/13/99/46/387139946.db2.gz KPPONRQCRVNZQN-TVQRCGJNSA-N -1 3 234.299 2.408 20 0 BEADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000186774040 387141054 /nfs/dbraw/zinc/14/10/54/387141054.db2.gz KPPONRQCRVNZQN-NOZJJQNGSA-N -1 3 234.299 2.408 20 0 BEADHM COc1cc(C(=O)N2CCC23CCC3)ccc1[O-] ZINC000336405309 387233331 /nfs/dbraw/zinc/23/33/31/387233331.db2.gz SCJGWRJWGCFSRI-UHFFFAOYSA-N -1 3 247.294 2.169 20 0 BEADHM CCc1cc(C(=O)Nc2ccc(C)cc2[O-])n[nH]1 ZINC000097249808 387239993 /nfs/dbraw/zinc/23/99/93/387239993.db2.gz MOEOWYRPZNSPPA-UHFFFAOYSA-N -1 3 245.282 2.238 20 0 BEADHM C[C@@H](CF)NC(=O)Cc1ccc([O-])cc1Cl ZINC000360590695 387314932 /nfs/dbraw/zinc/31/49/32/387314932.db2.gz GWCMNCAZLXNUPM-ZETCQYMHSA-N -1 3 245.681 2.062 20 0 BEADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccccc1[O-] ZINC000162436232 387368246 /nfs/dbraw/zinc/36/82/46/387368246.db2.gz MKZGCLCPXMNKAN-NXEZZACHSA-N -1 3 219.284 2.405 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@H]2CC2(C)C)c1 ZINC000354460559 387378385 /nfs/dbraw/zinc/37/83/85/387378385.db2.gz PFCOQWAIXFPLCU-LBPRGKRZSA-N -1 3 233.311 2.483 20 0 BEADHM Cc1ccc(NC(=O)[C@]2(C)CCOC2)c([O-])c1 ZINC000336522090 387347653 /nfs/dbraw/zinc/34/76/53/387347653.db2.gz DTFLAIDMXCYMDQ-CYBMUJFWSA-N -1 3 235.283 2.066 20 0 BEADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1c([O-])cccc1O ZINC000397224122 387352207 /nfs/dbraw/zinc/35/22/07/387352207.db2.gz IAMQCUAYIQFOCR-RISCZKNCSA-N -1 3 249.310 2.262 20 0 BEADHM CC[C@@H](C)[C@@H](OC)C(=O)Nc1ccccc1[O-] ZINC000354823818 387433671 /nfs/dbraw/zinc/43/36/71/387433671.db2.gz YCEBIUCSBMTATM-BXKDBHETSA-N -1 3 237.299 2.392 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-]CC(C)C)c(F)c1 ZINC000264220360 387388492 /nfs/dbraw/zinc/38/84/92/387388492.db2.gz VPXPZZWSMSYROL-UHFFFAOYSA-N -1 3 245.319 2.068 20 0 BEADHM CCc1ccc([O-])c(C(=O)N[C@H]2CC[C@H]2C)c1 ZINC000515490899 387389008 /nfs/dbraw/zinc/38/90/08/387389008.db2.gz VCMSMANIYXZJNV-SKDRFNHKSA-N -1 3 233.311 2.483 20 0 BEADHM C[C@@H]1C[C@H]1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000354721313 387421813 /nfs/dbraw/zinc/42/18/13/387421813.db2.gz PPJJWKGCLIKBCO-SCZZXKLOSA-N -1 3 237.274 2.194 20 0 BEADHM CCCC1(CNC(=O)Cc2cncc([O-])c2)CC1 ZINC000516491003 387509835 /nfs/dbraw/zinc/50/98/35/387509835.db2.gz RWBXMNGASHGJPF-UHFFFAOYSA-N -1 3 248.326 2.026 20 0 BEADHM CC(C)(C)CCCNC(=O)c1csc(=O)[n-]1 ZINC000527177027 387521560 /nfs/dbraw/zinc/52/15/60/387521560.db2.gz FJJRGNWTUAAGGS-UHFFFAOYSA-N -1 3 242.344 2.405 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC[C@@H]3CCC[C@@H]32)n1 ZINC000355156090 387490317 /nfs/dbraw/zinc/49/03/17/387490317.db2.gz ABNFHDROKHLMTF-JQWIXIFHSA-N -1 3 247.342 2.119 20 0 BEADHM COCc1ccc(C(=O)Nc2ccccc2[O-])o1 ZINC000123830454 387595604 /nfs/dbraw/zinc/59/56/04/387595604.db2.gz UTRNITZLBWUQSC-UHFFFAOYSA-N -1 3 247.250 2.384 20 0 BEADHM Cc1conc1[N-]C(=O)c1ccc(Cl)o1 ZINC000124047096 387603324 /nfs/dbraw/zinc/60/33/24/387603324.db2.gz FBADSLYKFRVHHS-UHFFFAOYSA-N -1 3 226.619 2.482 20 0 BEADHM C[C@H](NC(=O)c1cccc([O-])c1)c1ccccn1 ZINC000035122294 387554628 /nfs/dbraw/zinc/55/46/28/387554628.db2.gz JNZLVMZUXDNMBW-JTQLQIEISA-N -1 3 242.278 2.278 20 0 BEADHM Cc1ccc(C(=O)N[C@@H](C)C2CC2)c([O-])c1 ZINC000035141222 387555238 /nfs/dbraw/zinc/55/52/38/387555238.db2.gz OHTATTBROJJFSU-VIFPVBQESA-N -1 3 219.284 2.229 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)c([O-])c1 ZINC000356349587 387647699 /nfs/dbraw/zinc/64/76/99/387647699.db2.gz BDUVZSPTCDNESP-BIMULSAOSA-N -1 3 247.294 2.064 20 0 BEADHM C[C@H](NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000162960749 387654240 /nfs/dbraw/zinc/65/42/40/387654240.db2.gz FBNNAAGBCGPOMK-LURJTMIESA-N -1 3 231.654 2.042 20 0 BEADHM CCCn1c(=O)[n-]nc1SC1CCC1 ZINC000430987325 387667157 /nfs/dbraw/zinc/66/71/57/387667157.db2.gz HFACEBAEABBDJJ-UHFFFAOYSA-N -1 3 213.306 2.038 20 0 BEADHM O=c1cc(CSCc2ccco2)occ1[O-] ZINC000125982828 387670671 /nfs/dbraw/zinc/67/06/71/387670671.db2.gz AOPVWSFXVVNCTR-UHFFFAOYSA-N -1 3 238.264 2.372 20 0 BEADHM COC(=O)c1cn[n-]c1-c1c(F)cccc1F ZINC000127041153 387704410 /nfs/dbraw/zinc/70/44/10/387704410.db2.gz YMGVVFIKZJISBP-UHFFFAOYSA-N -1 3 238.193 2.142 20 0 BEADHM COC(=O)c1c[n-]nc1-c1c(F)cccc1F ZINC000127041153 387704414 /nfs/dbraw/zinc/70/44/14/387704414.db2.gz YMGVVFIKZJISBP-UHFFFAOYSA-N -1 3 238.193 2.142 20 0 BEADHM CCc1cnc(S(=O)(=O)CCCC(C)C)[n-]1 ZINC000431591798 387719060 /nfs/dbraw/zinc/71/90/60/387719060.db2.gz HZVRRGKKHJKRCH-UHFFFAOYSA-N -1 3 244.360 2.182 20 0 BEADHM CCc1c[n-]c(S(=O)(=O)CCCC(C)C)n1 ZINC000431591798 387719063 /nfs/dbraw/zinc/71/90/63/387719063.db2.gz HZVRRGKKHJKRCH-UHFFFAOYSA-N -1 3 244.360 2.182 20 0 BEADHM CC(=O)CCC(=O)Nc1ccc(C)cc1[O-] ZINC000192850607 387773435 /nfs/dbraw/zinc/77/34/35/387773435.db2.gz ZBQGUYUIVXYNHC-UHFFFAOYSA-N -1 3 221.256 2.008 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCCCO1 ZINC000085203882 388085228 /nfs/dbraw/zinc/08/52/28/388085228.db2.gz KPQHDIHZJAWDJE-LLVKDONJSA-N -1 3 239.246 2.039 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-]CCCC2CC2)o1 ZINC000536898305 388085294 /nfs/dbraw/zinc/08/52/94/388085294.db2.gz YGMFPKHWOGXJRJ-UHFFFAOYSA-N -1 3 243.328 2.057 20 0 BEADHM CC[C@H](NCc1nc(C)ccc1[O-])C(F)F ZINC000449364576 388183152 /nfs/dbraw/zinc/18/31/52/388183152.db2.gz SLNCMUSRZGPIOT-QMMMGPOBSA-N -1 3 230.258 2.229 20 0 BEADHM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ncccc1[O-] ZINC000449104578 388143213 /nfs/dbraw/zinc/14/32/13/388143213.db2.gz AJEZGBBFDWFQBY-NXEZZACHSA-N -1 3 234.299 2.408 20 0 BEADHM Cc1cccc(C(=O)NC[C@@H]2C[C@H]2C2CC2)c1[O-] ZINC000456888895 388231104 /nfs/dbraw/zinc/23/11/04/388231104.db2.gz WIWPINOYVOPZKV-AAEUAGOBSA-N -1 3 245.322 2.477 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC[C@@H]2C[C@H]2C2CC2)c1 ZINC000456892426 388232003 /nfs/dbraw/zinc/23/20/03/388232003.db2.gz ZOZCZQOJOWPDNJ-RYUDHWBXSA-N -1 3 245.322 2.477 20 0 BEADHM O=C(/C=C\c1ccc[nH]1)Nc1ccccc1[O-] ZINC000491990996 388330725 /nfs/dbraw/zinc/33/07/25/388330725.db2.gz OMRGYVASOORUEN-FPLPWBNLSA-N -1 3 228.251 2.372 20 0 BEADHM Cc1cncc(/C=C\C(=O)[N-]OC2CCCC2)c1 ZINC000492347904 388342429 /nfs/dbraw/zinc/34/24/29/388342429.db2.gz ZXDKXYKEEYLBMR-SREVYHEPSA-N -1 3 246.310 2.394 20 0 BEADHM CCCCN(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000492399800 388343551 /nfs/dbraw/zinc/34/35/51/388343551.db2.gz PKYYXDCPDWVAKK-WAYWQWQTSA-N -1 3 234.299 2.059 20 0 BEADHM Cc1cc(C(=O)N2C[C@@H](C)[C@H](C)C2)ccc1[O-] ZINC000227036423 388357965 /nfs/dbraw/zinc/35/79/65/388357965.db2.gz GPXITUGURWSCJD-GHMZBOCLSA-N -1 3 233.311 2.429 20 0 BEADHM O=C(c1ccccc1[O-])N1CCC2(CCC2)C1 ZINC000163120582 388371023 /nfs/dbraw/zinc/37/10/23/388371023.db2.gz OFIOHENOOROLRQ-UHFFFAOYSA-N -1 3 231.295 2.408 20 0 BEADHM O=C([O-])C1(NCc2ccc(Cl)c(F)c2)CC1 ZINC000236418568 388379373 /nfs/dbraw/zinc/37/93/73/388379373.db2.gz ALRONSNSKUDORB-UHFFFAOYSA-N -1 3 243.665 2.186 20 0 BEADHM O=C(NCC(F)F)c1cc([O-])ccc1Cl ZINC000236631684 388380642 /nfs/dbraw/zinc/38/06/42/388380642.db2.gz DAIBFEHOOFEWBG-UHFFFAOYSA-N -1 3 235.617 2.041 20 0 BEADHM CC(C)[C@@H](C)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646574264 388386371 /nfs/dbraw/zinc/38/63/71/388386371.db2.gz RHBCSHHCDDTVBX-MRVPVSSYSA-N -1 3 247.298 2.043 20 0 BEADHM CCO[N-]C(=O)/C=C\SCc1ccco1 ZINC000492110597 388335470 /nfs/dbraw/zinc/33/54/70/388335470.db2.gz PJBGUTHTJPCPCC-ALCCZGGFSA-N -1 3 227.285 2.094 20 0 BEADHM O=C(/C=C/c1ccccc1)[N-]OCC(F)(F)F ZINC000492115270 388335519 /nfs/dbraw/zinc/33/55/19/388335519.db2.gz DRAHUKFWPJCRGZ-VOTSOKGWSA-N -1 3 245.200 2.310 20 0 BEADHM C/C=C(/C=C/C(=O)[N-]O[C@H]1CCCCO1)CC ZINC000492115900 388335703 /nfs/dbraw/zinc/33/57/03/388335703.db2.gz GKBSZTNPBLTCSK-KWAKIBMTSA-N -1 3 239.315 2.473 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1(C)CCC1 ZINC000649231406 388464114 /nfs/dbraw/zinc/46/41/14/388464114.db2.gz UICMYLKUNKRBAX-UHFFFAOYSA-N -1 3 235.331 2.392 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1CCCC1 ZINC000649233777 388464483 /nfs/dbraw/zinc/46/44/83/388464483.db2.gz CVKWAQUSISLMPT-UHFFFAOYSA-N -1 3 235.331 2.392 20 0 BEADHM CC[C@H](C)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649233151 388464619 /nfs/dbraw/zinc/46/46/19/388464619.db2.gz AZAWQWFBQCJINX-QMMMGPOBSA-N -1 3 223.320 2.248 20 0 BEADHM CCC1(NC(=O)c2cc(OC)ccc2[O-])CC1 ZINC000295853792 388415017 /nfs/dbraw/zinc/41/50/17/388415017.db2.gz KEAWFDLPOIUPLH-UHFFFAOYSA-N -1 3 235.283 2.073 20 0 BEADHM CC[C@@H]1CCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000166419197 388426001 /nfs/dbraw/zinc/42/60/01/388426001.db2.gz DPZOLVROMGHXRN-SECBINFHSA-N -1 3 223.272 2.210 20 0 BEADHM Cc1ccoc1CNC(=O)c1ccccc1[O-] ZINC000310535036 388484522 /nfs/dbraw/zinc/48/45/22/388484522.db2.gz QXKIYBFFZFTNCL-UHFFFAOYSA-N -1 3 231.251 2.224 20 0 BEADHM C[C@@H](C(=O)[O-])N1CCC[C@@H]1c1cccs1 ZINC000261537135 388561772 /nfs/dbraw/zinc/56/17/72/388561772.db2.gz UYOXRVDPQBWPGL-DTWKUNHWSA-N -1 3 225.313 2.358 20 0 BEADHM O=C([N-]OCc1cccnc1)[C@H]1CCCC12CC2 ZINC000528877680 388580461 /nfs/dbraw/zinc/58/04/61/388580461.db2.gz RGSVPHYTBGLVIR-GFCCVEGCSA-N -1 3 246.310 2.210 20 0 BEADHM Cc1ccc(NC(=O)c2c([O-])cccc2O)nc1 ZINC000125580881 388672885 /nfs/dbraw/zinc/67/28/85/388672885.db2.gz WXVLBYOHOXIVOO-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM CSC[C@@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000124555511 388663626 /nfs/dbraw/zinc/66/36/26/388663626.db2.gz CKCADBNRASADFE-SECBINFHSA-N -1 3 239.340 2.182 20 0 BEADHM CC[C@@H]1C[C@H]1NC(=O)c1cccc(C)c1[O-] ZINC000227034721 388737415 /nfs/dbraw/zinc/73/74/15/388737415.db2.gz MGRQTLKWTRDLPJ-MWLCHTKSSA-N -1 3 219.284 2.229 20 0 BEADHM CSCCN(C)C(=O)c1ccc([O-])c(C)c1 ZINC000227039150 388737761 /nfs/dbraw/zinc/73/77/61/388737761.db2.gz PCIYRASOZHOUSO-UHFFFAOYSA-N -1 3 239.340 2.136 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CCOC1 ZINC000552434265 388708191 /nfs/dbraw/zinc/70/81/91/388708191.db2.gz HGPGAKKWACMMSR-SSDOTTSWSA-N -1 3 241.674 2.021 20 0 BEADHM CC1(C)C[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000226260295 388713830 /nfs/dbraw/zinc/71/38/30/388713830.db2.gz BNMDKCVZRGXBHT-SECBINFHSA-N -1 3 219.284 2.168 20 0 BEADHM CC[C@]1(C)C[C@@H]1C(=O)N=c1cc2ccccn2[n-]1 ZINC000553330997 388763820 /nfs/dbraw/zinc/76/38/20/388763820.db2.gz PJESNLQXNHKWTN-BXUZGUMPSA-N -1 3 243.310 2.131 20 0 BEADHM C[C@H](C(=O)[O-])N(C)Cc1cccc(Cl)c1F ZINC000229260218 388782921 /nfs/dbraw/zinc/78/29/21/388782921.db2.gz BQMKDBKEMWHKRO-SSDOTTSWSA-N -1 3 245.681 2.384 20 0 BEADHM CC1(NC(=O)c2cccc3nn[n-]c32)CCCC1 ZINC000540963150 388831698 /nfs/dbraw/zinc/83/16/98/388831698.db2.gz NRZGHFKFIKSKQS-UHFFFAOYSA-N -1 3 244.298 2.020 20 0 BEADHM CC1(NC(=O)c2cccc3[n-]nnc32)CCCC1 ZINC000540963150 388831704 /nfs/dbraw/zinc/83/17/04/388831704.db2.gz NRZGHFKFIKSKQS-UHFFFAOYSA-N -1 3 244.298 2.020 20 0 BEADHM CC1(NC(=O)c2cccc3n[n-]nc32)CCCC1 ZINC000540963150 388831709 /nfs/dbraw/zinc/83/17/09/388831709.db2.gz NRZGHFKFIKSKQS-UHFFFAOYSA-N -1 3 244.298 2.020 20 0 BEADHM CSCCc1nc(-c2ccc([O-])cc2)no1 ZINC000069629989 388852790 /nfs/dbraw/zinc/85/27/90/388852790.db2.gz PRDUQYSOOROQLT-UHFFFAOYSA-N -1 3 236.296 2.348 20 0 BEADHM O=C(c1cccc([O-])c1)N(CC(F)F)C1CC1 ZINC000272712398 389034173 /nfs/dbraw/zinc/03/41/73/389034173.db2.gz CWYNGVIVIUDJOW-UHFFFAOYSA-N -1 3 241.237 2.262 20 0 BEADHM Cc1ccc(C(=O)N[C@H]2CC2(C)C)c([O-])c1 ZINC000044365764 322841441 /nfs/dbraw/zinc/84/14/41/322841441.db2.gz GHFRLFSCYQIVTP-NSHDSACASA-N -1 3 219.284 2.229 20 0 BEADHM COc1cccc(C(=O)N2CC[C@H]2C2CC2)c1[O-] ZINC000334528470 133687225 /nfs/dbraw/zinc/68/72/25/133687225.db2.gz GOGXORYSMYHEPX-NSHDSACASA-N -1 3 247.294 2.025 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCSC1 ZINC000335969128 134029336 /nfs/dbraw/zinc/02/93/36/134029336.db2.gz UUAKKKBGGKCBAO-VIFPVBQESA-N -1 3 237.324 2.392 20 0 BEADHM Cc1ccc([O-])c(NC(=O)c2cccs2)n1 ZINC000335991535 134040580 /nfs/dbraw/zinc/04/05/80/134040580.db2.gz DJNDLISFDYPQOJ-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM Cc1cc(=O)[n-]c(C=CC=Cc2ccncc2)n1 ZINC000352025670 134042849 /nfs/dbraw/zinc/04/28/49/134042849.db2.gz FZCOZIUWDQQJAK-ZUVMSYQZSA-N -1 3 239.278 2.200 20 0 BEADHM CC(C)c1csc2[n-]c(CO)nc(=O)c12 ZINC000336031352 134058319 /nfs/dbraw/zinc/05/83/19/134058319.db2.gz TVLHXXNUBSVABK-UHFFFAOYSA-N -1 3 224.285 2.013 20 0 BEADHM C[C@H]1CC[C@H](N(C)C(=O)c2csc(=O)[n-]2)C1 ZINC000336068249 134071062 /nfs/dbraw/zinc/07/10/62/134071062.db2.gz JUIMLWSCGFQZJM-YUMQZZPRSA-N -1 3 240.328 2.109 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2[C@@H](C)C[C@@H]2C)c1 ZINC000336158150 134106477 /nfs/dbraw/zinc/10/64/77/134106477.db2.gz YUZXDHAWOTZSTG-UWVGGRQHSA-N -1 3 219.284 2.324 20 0 BEADHM COc1cccc(C(=O)N2[C@H](C)C[C@@H]2C)c1[O-] ZINC000336157954 134106672 /nfs/dbraw/zinc/10/66/72/134106672.db2.gz PFVPVXXSFFMEEZ-DTORHVGOSA-N -1 3 235.283 2.024 20 0 BEADHM Cc1cnccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000336157829 134106793 /nfs/dbraw/zinc/10/67/93/134106793.db2.gz SBONARLHZYPUAW-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM C[C@@H]1C[C@H](O)CN1Cc1cccc([O-])c1Cl ZINC000336193833 134124706 /nfs/dbraw/zinc/12/47/06/134124706.db2.gz LFRPCKKKDFGZST-SCZZXKLOSA-N -1 3 241.718 2.001 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CC=CCC1 ZINC000336209109 134133701 /nfs/dbraw/zinc/13/37/01/134133701.db2.gz MNWLJYWAWWFRSD-NSHDSACASA-N -1 3 249.285 2.299 20 0 BEADHM Cc1cc(C(=O)Nc2ccccc2[O-])ccn1 ZINC000170234127 134251974 /nfs/dbraw/zinc/25/19/74/134251974.db2.gz KXDLMFJBIKEJLO-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM CCO[N-]C(=O)C[C@@H]1CCOc2ccccc21 ZINC000172103880 134261718 /nfs/dbraw/zinc/26/17/18/134261718.db2.gz KCVUJZBNGZRYMW-JTQLQIEISA-N -1 3 235.283 2.011 20 0 BEADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@@H]1C1CC1 ZINC000176165027 134289315 /nfs/dbraw/zinc/28/93/15/134289315.db2.gz XZUZNVAZWNKJPL-GHMZBOCLSA-N -1 3 249.285 2.194 20 0 BEADHM [O-]c1cc(F)cc(CNCc2cccnc2)c1 ZINC000184134457 134359207 /nfs/dbraw/zinc/35/92/07/134359207.db2.gz JGWKSHJQOKPEFT-UHFFFAOYSA-N -1 3 232.258 2.216 20 0 BEADHM Cc1cc(C(=O)NCC2(C)CC2)ccc1[O-] ZINC000227037923 134373499 /nfs/dbraw/zinc/37/34/99/134373499.db2.gz XKSBWNYTKLRIGJ-UHFFFAOYSA-N -1 3 219.284 2.231 20 0 BEADHM Cc1cc(C(=O)N(C)c2cccnc2)ccc1[O-] ZINC000227028856 134373692 /nfs/dbraw/zinc/37/36/92/134373692.db2.gz DORIDTKYNUCTQS-UHFFFAOYSA-N -1 3 242.278 2.372 20 0 BEADHM CCn1cc(NC(=O)c2ccc([O-])c(C)c2)cn1 ZINC000227018655 134373945 /nfs/dbraw/zinc/37/39/45/134373945.db2.gz ODIIXMIUTDNYJQ-UHFFFAOYSA-N -1 3 245.282 2.169 20 0 BEADHM C[C@@H]1C[C@@H](C)N(C(=O)c2cccc([O-])c2)C1 ZINC000163676395 135044649 /nfs/dbraw/zinc/04/46/49/135044649.db2.gz VEOAJHZESWFBNE-NXEZZACHSA-N -1 3 219.284 2.263 20 0 BEADHM Cc1ccc(C(=O)NCC(=O)C(C)(C)C)c([O-])c1 ZINC000086512406 135088635 /nfs/dbraw/zinc/08/86/35/135088635.db2.gz YCYQBEZUPOHWEL-UHFFFAOYSA-N -1 3 249.310 2.046 20 0 BEADHM Cc1ccc(CNCCC(C)(C)C(=O)[O-])o1 ZINC000258775160 135133655 /nfs/dbraw/zinc/13/36/55/135133655.db2.gz BBZBKSNUKWXLAQ-UHFFFAOYSA-N -1 3 225.288 2.179 20 0 BEADHM O=C(CNc1ccccc1)Nc1ccccc1[O-] ZINC000079052547 135268202 /nfs/dbraw/zinc/26/82/02/135268202.db2.gz PXLQOTJWGLCICY-UHFFFAOYSA-N -1 3 242.278 2.443 20 0 BEADHM Cc1cccc(CN(C)C[C@@H](C)C(=O)[O-])c1F ZINC000262744434 135316684 /nfs/dbraw/zinc/31/66/84/135316684.db2.gz AXIRGZFVXNCPOA-SNVBAGLBSA-N -1 3 239.290 2.287 20 0 BEADHM CC(C)c1ccc(CCN2CC(C(=O)[O-])C2)cc1 ZINC000263486603 135357038 /nfs/dbraw/zinc/35/70/38/135357038.db2.gz HNDZXSVLWLABEO-UHFFFAOYSA-N -1 3 247.338 2.369 20 0 BEADHM Cc1ccc(CNC[C@H](CC(C)C)C(=O)[O-])o1 ZINC000263498253 135357459 /nfs/dbraw/zinc/35/74/59/135357459.db2.gz RUZNSMPUIXTFEO-NSHDSACASA-N -1 3 239.315 2.425 20 0 BEADHM CC(C)c1ccc(C(=O)N2CC(F)C2)c([O-])c1 ZINC000334333359 135361374 /nfs/dbraw/zinc/36/13/74/135361374.db2.gz UELGPWDQNQTSQD-UHFFFAOYSA-N -1 3 237.274 2.310 20 0 BEADHM Cc1cccc([O-])c1NC(=O)c1cc[nH]c(=O)c1 ZINC000334379644 135379231 /nfs/dbraw/zinc/37/92/31/135379231.db2.gz YTMKTKAWPPLWGH-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC1 ZINC000344797604 135799204 /nfs/dbraw/zinc/79/92/04/135799204.db2.gz CYGCEBJNDWUFNX-UHFFFAOYSA-N -1 3 237.274 2.086 20 0 BEADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C)C2)cc1[O-] ZINC000334637573 135802935 /nfs/dbraw/zinc/80/29/35/135802935.db2.gz XBTXMEZVYCDDEB-VIFPVBQESA-N -1 3 247.294 2.077 20 0 BEADHM Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](O)C2)c([O-])c1 ZINC000335340765 136064040 /nfs/dbraw/zinc/06/40/40/136064040.db2.gz VTCXOYYJERWEHU-GHMZBOCLSA-N -1 3 249.310 2.190 20 0 BEADHM CC1(CNC(=O)/C=C/c2cncc([O-])c2)CCC1 ZINC000182084049 397852101 /nfs/dbraw/zinc/85/21/01/397852101.db2.gz FKTVSVYLULSRTF-ONEGZZNKSA-N -1 3 246.310 2.107 20 0 BEADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H]2C)ccc1[O-] ZINC000309402051 398103833 /nfs/dbraw/zinc/10/38/33/398103833.db2.gz HLCISAGJHHELMV-GZMMTYOYSA-N -1 3 219.284 2.229 20 0 BEADHM COc1cc(CC(=O)[N-]OCC2CC2)ccc1C ZINC000293679072 398117119 /nfs/dbraw/zinc/11/71/19/398117119.db2.gz AVCHJTRPZQJAJL-UHFFFAOYSA-N -1 3 249.310 2.004 20 0 BEADHM CCc1cc(=O)[n-]c(CNC2(C3CCC3)CC2)n1 ZINC000649810783 398117910 /nfs/dbraw/zinc/11/79/10/398117910.db2.gz ZCCNSTGPONZDCS-UHFFFAOYSA-N -1 3 247.342 2.167 20 0 BEADHM CC(C)Oc1cccnc1C(=O)[N-]c1cnoc1 ZINC000674305794 487558216 /nfs/dbraw/zinc/55/82/16/487558216.db2.gz RLWJUDFZUCISPM-UHFFFAOYSA-N -1 3 247.254 2.109 20 0 BEADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762065 487559004 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/nfs/dbraw/zinc/58/57/53/487585753.db2.gz OBDOLQWVIGYWAT-UHFFFAOYSA-N -1 3 236.246 2.118 20 0 BEADHM CC(C)O[N-]C(=O)CCC(=O)c1ccccc1 ZINC000295780035 167273274 /nfs/dbraw/zinc/27/32/74/167273274.db2.gz XYLWRHCEFJYWFH-UHFFFAOYSA-N -1 3 235.283 2.106 20 0 BEADHM C[C@@H](CN(C)Cc1n[n-]c(=O)o1)c1ccccc1 ZINC000660850790 409866963 /nfs/dbraw/zinc/86/69/63/409866963.db2.gz YFFLPWHZDUTSDX-JTQLQIEISA-N -1 3 247.298 2.011 20 0 BEADHM CC(C)OCCOc1ccc2c([O-])coc2c1 ZINC000057524179 410179226 /nfs/dbraw/zinc/17/92/26/410179226.db2.gz DOGRMRQRTZSYGT-UHFFFAOYSA-N -1 3 236.267 2.066 20 0 BEADHM CCO[N-]C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116169451 410264409 /nfs/dbraw/zinc/26/44/09/410264409.db2.gz IFYMIHHEPVQLAS-YUMQZZPRSA-N -1 3 241.237 2.136 20 0 BEADHM O=C(NC1(C2CCC2)CC1)c1ccc(O)cc1[O-] ZINC000650667818 410290877 /nfs/dbraw/zinc/29/08/77/410290877.db2.gz WFRDRISZEWHZQM-UHFFFAOYSA-N -1 3 247.294 2.160 20 0 BEADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccsc1 ZINC000650794220 410441162 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223.272 2.066 20 0 BEADHM CCOCCCC(=O)Nc1cc(F)ccc1[O-] ZINC000178328730 170366871 /nfs/dbraw/zinc/36/68/71/170366871.db2.gz LCWQSUAOHZLKLO-UHFFFAOYSA-N -1 3 241.262 2.287 20 0 BEADHM CCO[N-]C(=O)Nc1cccc(Cl)c1OC ZINC000273758187 170465519 /nfs/dbraw/zinc/46/55/19/170465519.db2.gz UQAKCVPDAOSLCX-UHFFFAOYSA-N -1 3 244.678 2.422 20 0 BEADHM C[C@H]1CCC[C@H](CN(C)Cc2n[n-]c(=O)o2)C1 ZINC000660843633 411653882 /nfs/dbraw/zinc/65/38/82/411653882.db2.gz BKKPLWCESVVJKC-UWVGGRQHSA-N -1 3 239.319 2.033 20 0 BEADHM C[C@H]1CCCC[C@H]1CN(C)Cc1n[n-]c(=O)o1 ZINC000660844602 411655795 /nfs/dbraw/zinc/65/57/95/411655795.db2.gz QNSKJTCRSMFRKA-UWVGGRQHSA-N -1 3 239.319 2.033 20 0 BEADHM CCCC[C@@H](CC)CN(C)Cc1n[n-]c(=O)o1 ZINC000660845199 411657757 /nfs/dbraw/zinc/65/77/57/411657757.db2.gz KTTSYBMCBKHPHA-SNVBAGLBSA-N -1 3 241.335 2.423 20 0 BEADHM CCc1cc(=O)[n-]c(CN2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660933230 411683893 /nfs/dbraw/zinc/68/38/93/411683893.db2.gz LTOXBWWUGQEFNB-JQWIXIFHSA-N -1 3 247.342 2.119 20 0 BEADHM CC[C@@H](OC)C(=O)Nc1ccc(C)cc1[O-] ZINC000049446857 170943652 /nfs/dbraw/zinc/94/36/52/170943652.db2.gz HYDSVEZTVZUBJF-LLVKDONJSA-N -1 3 223.272 2.064 20 0 BEADHM CC[C@@H]1CCN1C(=O)c1cc(C)ccc1[O-] ZINC000293930392 171020584 /nfs/dbraw/zinc/02/05/84/171020584.db2.gz HOGTZBFCUDREDV-SNVBAGLBSA-N -1 3 219.284 2.325 20 0 BEADHM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccccc1[O-] ZINC000042237515 171107818 /nfs/dbraw/zinc/10/78/18/171107818.db2.gz HHRZXVRWLDSNAX-WDEREUQCSA-N -1 3 249.310 2.032 20 0 BEADHM CC[C@H](C(=O)[O-])N(C)Cc1ccccc1F ZINC000042436824 171236607 /nfs/dbraw/zinc/23/66/07/171236607.db2.gz DDUCVUBEJHBJLE-LLVKDONJSA-N -1 3 225.263 2.121 20 0 BEADHM CC[C@H](C)CNC(=O)c1ccc(OC)cc1[O-] ZINC000054475130 171283486 /nfs/dbraw/zinc/28/34/86/171283486.db2.gz PZQYGJFJOKQHKX-VIFPVBQESA-N -1 3 237.299 2.177 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)/C=C/c1ccc[nH]1 ZINC000293765147 171288706 /nfs/dbraw/zinc/28/87/06/171288706.db2.gz QKEYVKSPZNWPED-FGEFZZPRSA-N -1 3 222.288 2.122 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)CCc1ccccn1 ZINC000292168827 171288710 /nfs/dbraw/zinc/28/87/10/171288710.db2.gz UQCZZNHCLCLLLX-NSHDSACASA-N -1 3 236.315 2.108 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)CCCn1cccc1 ZINC000293837988 171288745 /nfs/dbraw/zinc/28/87/45/171288745.db2.gz WHXWAWHCTSNWJZ-LBPRGKRZSA-N -1 3 238.331 2.362 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)/C=C/c1ccco1 ZINC000292392938 171289150 /nfs/dbraw/zinc/28/91/50/171289150.db2.gz ZWNJNBZZCWXJSL-FGEFZZPRSA-N -1 3 223.272 2.387 20 0 BEADHM CC[C@H](C)N(C)C(=O)c1cccc([O-])c1 ZINC000037110709 171305524 /nfs/dbraw/zinc/30/55/24/171305524.db2.gz TUTZYFAFXYZGDR-VIFPVBQESA-N -1 3 207.273 2.263 20 0 BEADHM CC[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000104731872 171344948 /nfs/dbraw/zinc/34/49/48/171344948.db2.gz QHBRJUPQNATHJK-VIFPVBQESA-N -1 3 245.319 2.211 20 0 BEADHM CC[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000182911086 171361072 /nfs/dbraw/zinc/36/10/72/171361072.db2.gz HIRKGNIDVRDGTC-DTWKUNHWSA-N -1 3 222.288 2.408 20 0 BEADHM CC(=O)c1ccc(C(=O)N2CC(C)(C)C2)cc1[O-] ZINC000665464812 412330105 /nfs/dbraw/zinc/33/01/05/412330105.db2.gz KFNWQOZHVUVJIM-UHFFFAOYSA-N -1 3 247.294 2.077 20 0 BEADHM CCn1c(=O)[n-]nc1SC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000663237226 412398125 /nfs/dbraw/zinc/39/81/25/412398125.db2.gz GXXIPYNRTJMGGU-AYMMMOKOSA-N -1 3 239.344 2.142 20 0 BEADHM CCc1ncc(C(=O)[N-]c2nocc2C)s1 ZINC000123586378 172016157 /nfs/dbraw/zinc/01/61/57/172016157.db2.gz PPIRMXNJBCUPPZ-UHFFFAOYSA-N -1 3 237.284 2.254 20 0 BEADHM CCc1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000334526432 172085023 /nfs/dbraw/zinc/08/50/23/172085023.db2.gz KTOMCPKKZRBAAV-UHFFFAOYSA-N -1 3 222.219 2.068 20 0 BEADHM CCc1onc(C)c1[N-]C(=O)c1ccc(F)cn1 ZINC000183218925 172126902 /nfs/dbraw/zinc/12/69/02/172126902.db2.gz UUHXVCPMNNLTOI-UHFFFAOYSA-N -1 3 249.245 2.332 20 0 BEADHM CN(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000234249353 172337783 /nfs/dbraw/zinc/33/77/83/172337783.db2.gz RMCSJYNBCLQEGS-UHFFFAOYSA-N -1 3 225.675 2.280 20 0 BEADHM CN(C)C(=O)c1ccc([O-])cc1C(F)(F)F ZINC000095711567 172390099 /nfs/dbraw/zinc/39/00/99/172390099.db2.gz ONUFNDUHOPIMPH-UHFFFAOYSA-N -1 3 233.189 2.113 20 0 BEADHM [O-]c1coc2cc(OCC[C@@H]3CCCO3)ccc12 ZINC000087248596 487624845 /nfs/dbraw/zinc/62/48/45/487624845.db2.gz FJCGOJJXKVXEOU-JTQLQIEISA-N -1 3 248.278 2.210 20 0 BEADHM COCC1(C(=O)Nc2ccccc2[O-])CCC1 ZINC000339815349 174090465 /nfs/dbraw/zinc/09/04/65/174090465.db2.gz BLSFKMRGEFNHHW-UHFFFAOYSA-N -1 3 235.283 2.147 20 0 BEADHM COCCN(C)Cc1cccc([O-])c1Cl ZINC000294883151 174281280 /nfs/dbraw/zinc/28/12/80/174281280.db2.gz LBAXLROLGFVHPF-UHFFFAOYSA-N -1 3 229.707 2.124 20 0 BEADHM COC[C@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000307777753 174601508 /nfs/dbraw/zinc/60/15/08/174601508.db2.gz OMCFLECJVXJXGI-GFCCVEGCSA-N -1 3 249.310 2.033 20 0 BEADHM COc1ccc(C(=O)N[C@H](C)C(C)C)c([O-])c1 ZINC000020304743 175063157 /nfs/dbraw/zinc/06/31/57/175063157.db2.gz GWASYRZUIFWJJV-SECBINFHSA-N -1 3 237.299 2.175 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@@H]2C)c1 ZINC000177028475 175157017 /nfs/dbraw/zinc/15/70/17/175157017.db2.gz KDYSKKUMLRJMSE-UWVGGRQHSA-N -1 3 249.310 2.271 20 0 BEADHM COc1ccc([O-])c(C(=O)NC2(C)CCC2)c1 ZINC000124671441 175157631 /nfs/dbraw/zinc/15/76/31/175157631.db2.gz BRHHAQWWRXFFNN-UHFFFAOYSA-N -1 3 235.283 2.073 20 0 BEADHM COc1cccc(C(=O)N(C)C2CCC2)c1[O-] ZINC000135044519 175242455 /nfs/dbraw/zinc/24/24/55/175242455.db2.gz ZBOFFCXSCKXQBJ-UHFFFAOYSA-N -1 3 235.283 2.025 20 0 BEADHM COc1cccc(C(=O)N2CC[C@H](C)[C@H]2C)c1[O-] ZINC000177065333 175243860 /nfs/dbraw/zinc/24/38/60/175243860.db2.gz AKKOYHSYLYGMJA-VHSXEESVSA-N -1 3 249.310 2.271 20 0 BEADHM COc1ccccc1/C=C/C(=O)[N-]OC(C)C ZINC000294165138 175314353 /nfs/dbraw/zinc/31/43/53/175314353.db2.gz RAEQOGMCMGJTDN-CMDGGOBGSA-N -1 3 235.283 2.165 20 0 BEADHM C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1ccccc1[O-] ZINC000279774488 176042389 /nfs/dbraw/zinc/04/23/89/176042389.db2.gz BNCSUFIQJAFHFX-VHSXEESVSA-N -1 3 247.294 2.336 20 0 BEADHM C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1ccccc1[O-] ZINC000279774480 176043766 /nfs/dbraw/zinc/04/37/66/176043766.db2.gz BNCSUFIQJAFHFX-UWVGGRQHSA-N -1 3 247.294 2.336 20 0 BEADHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000188555420 176088608 /nfs/dbraw/zinc/08/86/08/176088608.db2.gz KDGOMLBJDOGLJG-NXEZZACHSA-N -1 3 243.328 2.137 20 0 BEADHM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000104761361 176131815 /nfs/dbraw/zinc/13/18/15/176131815.db2.gz BARGHAWJCQPZLY-BDAKNGLRSA-N -1 3 245.369 2.215 20 0 BEADHM C[C@@H]1CC[C@@H](CCC(=O)[N-]OC/C=C/Cl)O1 ZINC000291928632 176202564 /nfs/dbraw/zinc/20/25/64/176202564.db2.gz UXFUWRUWEWREJU-IQPPKSMTSA-N -1 3 247.722 2.134 20 0 BEADHM C[C@@H]1CC[C@@H](NC(=O)c2cccc([O-])c2)C1 ZINC000129294443 176212569 /nfs/dbraw/zinc/21/25/69/176212569.db2.gz IAYUVSXMFHTNPN-MWLCHTKSSA-N -1 3 219.284 2.311 20 0 BEADHM C[C@@H]1CC[C@H](CC(=O)[N-]OCc2cccnc2)C1 ZINC000152621123 176223211 /nfs/dbraw/zinc/22/32/11/176223211.db2.gz CWDZNRHHTPUVEI-NEPJUHHUSA-N -1 3 248.326 2.456 20 0 BEADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)CC(C)(C)O1 ZINC000041681382 176262178 /nfs/dbraw/zinc/26/21/78/176262178.db2.gz TVZQIJIWWGALKG-SNVBAGLBSA-N -1 3 249.310 2.032 20 0 BEADHM C[C@@H]1CN(Cc2cc([O-])cc(F)c2)CCCO1 ZINC000184150186 176301993 /nfs/dbraw/zinc/30/19/93/176301993.db2.gz MXQCMBMLNFJFEC-SNVBAGLBSA-N -1 3 239.290 2.142 20 0 BEADHM C[C@@H](NC(=O)c1cccc2nn[n-]c21)C(C)(C)C ZINC000183608778 487636637 /nfs/dbraw/zinc/63/66/37/487636637.db2.gz XBOGPXBNEOWEPF-MRVPVSSYSA-N -1 3 246.314 2.122 20 0 BEADHM C[C@@H](NC(=O)c1cccc2[n-]nnc21)C(C)(C)C ZINC000183608778 487636640 /nfs/dbraw/zinc/63/66/40/487636640.db2.gz XBOGPXBNEOWEPF-MRVPVSSYSA-N -1 3 246.314 2.122 20 0 BEADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)C(C)(C)C ZINC000183608778 487636642 /nfs/dbraw/zinc/63/66/42/487636642.db2.gz XBOGPXBNEOWEPF-MRVPVSSYSA-N -1 3 246.314 2.122 20 0 BEADHM C[C@H]1CC/C(=C\C(=O)Nc2ncccc2[O-])C1 ZINC000268109155 177067509 /nfs/dbraw/zinc/06/75/09/177067509.db2.gz QDIOAHTVKHZRIR-WKMLFNHBSA-N -1 3 232.283 2.472 20 0 BEADHM C[C@H]1CCCCN1Cc1cc(C(=O)[O-])co1 ZINC000051330194 177076938 /nfs/dbraw/zinc/07/69/38/177076938.db2.gz HKVYMGCPAGNYTB-VIFPVBQESA-N -1 3 223.272 2.352 20 0 BEADHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000188555443 177088526 /nfs/dbraw/zinc/08/85/26/177088526.db2.gz KDGOMLBJDOGLJG-VHSXEESVSA-N -1 3 243.328 2.137 20 0 BEADHM C[C@H]1CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000036926564 177101456 /nfs/dbraw/zinc/10/14/56/177101456.db2.gz YZJZPFBXYMWWOW-VIFPVBQESA-N -1 3 223.272 2.210 20 0 BEADHM C[C@H]1CCCN(Cc2occc2C(=O)[O-])C1 ZINC000035432934 177104085 /nfs/dbraw/zinc/10/40/85/177104085.db2.gz HPUGTZJHKNZUCV-VIFPVBQESA-N -1 3 223.272 2.210 20 0 BEADHM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000104761365 177126843 /nfs/dbraw/zinc/12/68/43/177126843.db2.gz BARGHAWJCQPZLY-IUCAKERBSA-N -1 3 245.369 2.215 20 0 BEADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1cccc([O-])c1 ZINC000182557737 177154296 /nfs/dbraw/zinc/15/42/96/177154296.db2.gz SKVOGBNDXUVFMD-VHSXEESVSA-N -1 3 219.284 2.263 20 0 BEADHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000132044635 177193052 /nfs/dbraw/zinc/19/30/52/177193052.db2.gz FXOQDLBFSHPWLD-DTWKUNHWSA-N -1 3 245.369 2.215 20 0 BEADHM C[C@H]1C[C@@H](C(=O)Nc2ccccc2[O-])CCC1=O ZINC000336473142 177309379 /nfs/dbraw/zinc/30/93/79/177309379.db2.gz BSWOVMXFVKYIMD-UWVGGRQHSA-N -1 3 247.294 2.336 20 0 BEADHM O=C(/C=C\C1CCC1)Nc1ncccc1[O-] ZINC000492489926 226007496 /nfs/dbraw/zinc/00/74/96/226007496.db2.gz HDYUNCVOGHRONY-SREVYHEPSA-N -1 3 218.256 2.082 20 0 BEADHM O=C(/C=C/C1CCC1)Nc1ncccc1[O-] ZINC000492489927 226007839 /nfs/dbraw/zinc/00/78/39/226007839.db2.gz HDYUNCVOGHRONY-VOTSOKGWSA-N -1 3 218.256 2.082 20 0 BEADHM Cc1ccc(/C=C/C(=O)[N-]OC2CCC2)o1 ZINC000493008021 226102050 /nfs/dbraw/zinc/10/20/50/226102050.db2.gz RYLOWJBHDYNQNX-BQYQJAHWSA-N -1 3 221.256 2.202 20 0 BEADHM O=C(/C=C\c1ccsc1)[N-]OCC(F)F ZINC000492567934 226020128 /nfs/dbraw/zinc/02/01/28/226020128.db2.gz VKMXFGZVGZQNKN-UPHRSURJSA-N -1 3 233.239 2.074 20 0 BEADHM O=C(/C=C\c1ccc(F)cc1)[N-]OCC(F)F ZINC000492580417 226020710 /nfs/dbraw/zinc/02/07/10/226020710.db2.gz JVHRARBDAYFWCH-UTCJRWHESA-N -1 3 245.200 2.152 20 0 BEADHM O=C(/C=C\C1CCCC1)[N-]O[C@H]1CCCCO1 ZINC000493152473 226141167 /nfs/dbraw/zinc/14/11/67/226141167.db2.gz AXNTWUGZIJSRPO-YXVBKTCISA-N -1 3 239.315 2.307 20 0 BEADHM Cc1ccc(/C=C/C(=O)[N-]OCCC2CC2)o1 ZINC000493787204 226254317 /nfs/dbraw/zinc/25/43/17/226254317.db2.gz KRNPPPSZVBVKBV-VOTSOKGWSA-N -1 3 235.283 2.449 20 0 BEADHM CN(C(=O)/C=C\c1cncc([O-])c1)C(C)(C)C ZINC000493798257 226254788 /nfs/dbraw/zinc/25/47/88/226254788.db2.gz YFNLBAWXIWJLHE-WAYWQWQTSA-N -1 3 234.299 2.057 20 0 BEADHM CCCN(CC)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000666178185 487745775 /nfs/dbraw/zinc/74/57/75/487745775.db2.gz JHQPCUYWCRJWRU-UHFFFAOYSA-N -1 3 247.298 2.141 20 0 BEADHM C[C@@H]1CCN(C(=O)c2cccc([O-])c2)C[C@H]1F ZINC000679644930 487767595 /nfs/dbraw/zinc/76/75/95/487767595.db2.gz XGIMKYVLBJWXDX-BXKDBHETSA-N -1 3 237.274 2.212 20 0 BEADHM Cc1csc(CO[N-]C(=O)C(C)(C)C)n1 ZINC000755944622 585311242 /nfs/dbraw/zinc/31/12/42/585311242.db2.gz JHEUCCIAFCZWFP-UHFFFAOYSA-N -1 3 228.317 2.045 20 0 BEADHM CSCCO[N-]C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000794196225 586035165 /nfs/dbraw/zinc/03/51/65/586035165.db2.gz VVKRRLVUDDBAOP-ONGXEEELSA-N -1 3 231.361 2.079 20 0 BEADHM Cc1ccc(CN2CCC(CC(=O)[O-])CC2)nc1 ZINC000156670907 487844989 /nfs/dbraw/zinc/84/49/89/487844989.db2.gz DLKFMTGCMVZVES-UHFFFAOYSA-N -1 3 248.326 2.077 20 0 BEADHM C[C@H]1CCN(Cc2cc(C(=O)[O-])co2)C[C@H]1C ZINC000253072394 487846856 /nfs/dbraw/zinc/84/68/56/487846856.db2.gz NZCBHDVYUPAZEW-VHSXEESVSA-N -1 3 237.299 2.456 20 0 BEADHM CCC(C)(C)NCc1cc(C(=O)[O-])co1 ZINC000128664665 591147423 /nfs/dbraw/zinc/14/74/23/591147423.db2.gz OLDKLDTUHYFSHL-UHFFFAOYSA-N -1 3 211.261 2.256 20 0 BEADHM CCC[C@H](Oc1[n-]c(=O)nnc1C)C(C)(C)C ZINC001226460345 974911452 /nfs/dbraw/zinc/91/14/52/974911452.db2.gz BMJBMBVATGAHQD-VIFPVBQESA-N -1 3 239.319 2.479 20 0 BEADHM CC(C)N(C(=O)Cc1cncc([O-])c1)C1CCC1 ZINC000669064810 487925551 /nfs/dbraw/zinc/92/55/51/487925551.db2.gz FOWHTXXESWOFKR-UHFFFAOYSA-N -1 3 248.326 2.119 20 0 BEADHM CCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000083643623 487926138 /nfs/dbraw/zinc/92/61/38/487926138.db2.gz OVYRFQLLEYAZFZ-LBPRGKRZSA-N -1 3 219.284 2.080 20 0 BEADHM O=C([O-])c1ccccc1CCN1CC=CCC1 ZINC000652393027 487942187 /nfs/dbraw/zinc/94/21/87/487942187.db2.gz TWILCFDZIMODDL-UHFFFAOYSA-N -1 3 231.295 2.189 20 0 BEADHM O=C([O-])CCC1CCN(Cc2ccccn2)CC1 ZINC000050926137 322851955 /nfs/dbraw/zinc/85/19/55/322851955.db2.gz FPKWHYJOXKSKHO-UHFFFAOYSA-N -1 3 248.326 2.158 20 0 BEADHM CCc1cccc(C(=O)NC(C)C)c1[O-] ZINC000531119108 323004170 /nfs/dbraw/zinc/00/41/70/323004170.db2.gz ZBDMRWZIFVWOHP-UHFFFAOYSA-N -1 3 207.273 2.093 20 0 BEADHM CC[C@@H](C)OCC(=O)Nc1cccc([O-])c1F ZINC000129199203 323008396 /nfs/dbraw/zinc/00/83/96/323008396.db2.gz IHWRIOOONHGNHX-MRVPVSSYSA-N -1 3 241.262 2.285 20 0 BEADHM CCc1cccc(C(=O)Nc2cnns2)c1[O-] ZINC000562307169 323015740 /nfs/dbraw/zinc/01/57/40/323015740.db2.gz WDKNAMMTMVWUCY-UHFFFAOYSA-N -1 3 249.295 2.058 20 0 BEADHM [O-]c1cccnc1CS[C@@H]1CCCOC1 ZINC000562474277 323021253 /nfs/dbraw/zinc/02/12/53/323021253.db2.gz FKHVWMQLRCSLOT-SECBINFHSA-N -1 3 225.313 2.199 20 0 BEADHM CCc1cccc(C(=O)N2CC3(CC3)C2)c1[O-] ZINC000562742738 323029683 /nfs/dbraw/zinc/02/96/83/323029683.db2.gz LOXJWRZTEJWHGV-UHFFFAOYSA-N -1 3 231.295 2.191 20 0 BEADHM COc1cc(C(=O)N(C)[C@@H](C)C2CC2)ccc1[O-] ZINC000569955935 323045468 /nfs/dbraw/zinc/04/54/68/323045468.db2.gz BPXBQEIMORSSAI-VIFPVBQESA-N -1 3 249.310 2.271 20 0 BEADHM O=c1cc(CSc2ncc[nH]2)nc(C2CC2)[n-]1 ZINC000570261012 323054394 /nfs/dbraw/zinc/05/43/94/323054394.db2.gz FCUQGEZDGZQCAQ-UHFFFAOYSA-N -1 3 248.311 2.075 20 0 BEADHM CCc1cccc(C(=O)N(C)CC2CC2)c1[O-] ZINC000531194035 323085025 /nfs/dbraw/zinc/08/50/25/323085025.db2.gz FMDSXWOCRTYCBQ-UHFFFAOYSA-N -1 3 233.311 2.437 20 0 BEADHM O=C(Nc1ccccc1[O-])C1(C(=O)C2CC2)CC1 ZINC000571134658 323136352 /nfs/dbraw/zinc/13/63/52/323136352.db2.gz WTMNNPSKWVQNEF-UHFFFAOYSA-N -1 3 245.278 2.090 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](F)C2)c1 ZINC000563721950 323175828 /nfs/dbraw/zinc/17/58/28/323175828.db2.gz KXULTWVHAOYUES-JTQLQIEISA-N -1 3 237.274 2.275 20 0 BEADHM C[C@@H]1OCC[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000094178762 323188616 /nfs/dbraw/zinc/18/86/16/323188616.db2.gz DUFXAGBNKDZTLX-GZMMTYOYSA-N -1 3 246.266 2.335 20 0 BEADHM Cc1ccc([O-])c(C(=O)N(C)CC(F)(F)F)c1 ZINC000037501994 323289640 /nfs/dbraw/zinc/28/96/40/323289640.db2.gz NIMWGZZKIIFOIP-UHFFFAOYSA-N -1 3 247.216 2.335 20 0 BEADHM Cc1scnc1NC([O-])=NOC1CCC1 ZINC000529140164 324252376 /nfs/dbraw/zinc/25/23/76/324252376.db2.gz ZXCUHSUZPQBEJG-UHFFFAOYSA-N -1 3 227.289 2.057 20 0 BEADHM Cc1scnc1NC(=O)[N-]OC1CCC1 ZINC000529140164 324252382 /nfs/dbraw/zinc/25/23/82/324252382.db2.gz ZXCUHSUZPQBEJG-UHFFFAOYSA-N -1 3 227.289 2.057 20 0 BEADHM [O-]C(=NOC1CCC1)Nc1cccc2c1OCC2 ZINC000529199604 324259622 /nfs/dbraw/zinc/25/96/22/324259622.db2.gz JXQAEZNCHNZVIN-UHFFFAOYSA-N -1 3 248.282 2.227 20 0 BEADHM O=C([N-]OC1CCC1)Nc1cccc2c1OCC2 ZINC000529199604 324259625 /nfs/dbraw/zinc/25/96/25/324259625.db2.gz JXQAEZNCHNZVIN-UHFFFAOYSA-N -1 3 248.282 2.227 20 0 BEADHM Cc1cc(C(=O)Nc2ncccc2[O-])oc1C ZINC000132853969 325249026 /nfs/dbraw/zinc/24/90/26/325249026.db2.gz UWMNUQYISUZAOB-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM O=C(NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000132866008 325250036 /nfs/dbraw/zinc/25/00/36/325250036.db2.gz DKMVSBUUFOKWMF-UHFFFAOYSA-N -1 3 245.253 2.461 20 0 BEADHM COc1ccc(C(=O)N[C@@H]2CC[C@H](C)C2)c([O-])c1 ZINC000132937586 325255014 /nfs/dbraw/zinc/25/50/14/325255014.db2.gz WKYPRFSKEWQZOR-VHSXEESVSA-N -1 3 249.310 2.319 20 0 BEADHM CC(C)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC000081066991 325490443 /nfs/dbraw/zinc/49/04/43/325490443.db2.gz QFOAEYGDOJYWIC-SNVBAGLBSA-N -1 3 221.300 2.414 20 0 BEADHM COc1cc(C(=O)[N-]c2ccccc2F)on1 ZINC000090706739 325679364 /nfs/dbraw/zinc/67/93/64/325679364.db2.gz NSXXCFPOEHXCQA-UHFFFAOYSA-N -1 3 236.202 2.075 20 0 BEADHM C[C@H]1CC[C@H](NC(=O)Cc2cncc([O-])c2)CC1 ZINC000566468814 326052328 /nfs/dbraw/zinc/05/23/28/326052328.db2.gz AFUNZVBSCIKVDN-UMSPYCQHSA-N -1 3 248.326 2.025 20 0 BEADHM CN(Cc1csc(C(=O)[O-])c1)CC1CC1 ZINC000567055258 326107345 /nfs/dbraw/zinc/10/73/45/326107345.db2.gz UOUGBLXWMUOHDL-UHFFFAOYSA-N -1 3 225.313 2.288 20 0 BEADHM CCC[C@H](C)S(=O)(=O)[N-][C@H](C)C(C)(F)F ZINC000567171761 326128780 /nfs/dbraw/zinc/12/87/80/326128780.db2.gz QGEBTFGCMZYUPP-JGVFFNPUSA-N -1 3 243.319 2.138 20 0 BEADHM CCc1ccc([O-])c(C(=O)NCCCF)c1 ZINC000154126802 326132326 /nfs/dbraw/zinc/13/23/26/326132326.db2.gz AANUVRFFYIVSQX-UHFFFAOYSA-N -1 3 225.263 2.044 20 0 BEADHM CCC(CC)SCCCOC(=O)[N-]C(N)=O ZINC000157594727 326285616 /nfs/dbraw/zinc/28/56/16/326285616.db2.gz IVCUJBCZJXIHEP-UHFFFAOYSA-N -1 3 248.348 2.103 20 0 BEADHM CCC(CC)SCCCOC([O-])=NC(N)=O ZINC000157594727 326285613 /nfs/dbraw/zinc/28/56/13/326285613.db2.gz IVCUJBCZJXIHEP-UHFFFAOYSA-N -1 3 248.348 2.103 20 0 BEADHM CCC(CC)SCCCOC(=O)N=C(N)[O-] ZINC000157594727 326285614 /nfs/dbraw/zinc/28/56/14/326285614.db2.gz IVCUJBCZJXIHEP-UHFFFAOYSA-N -1 3 248.348 2.103 20 0 BEADHM O=C(NCCCC1CC1)c1cc([O-])ccc1F ZINC000568182146 326322189 /nfs/dbraw/zinc/32/21/89/326322189.db2.gz IGAUIOXXSGANMJ-UHFFFAOYSA-N -1 3 237.274 2.451 20 0 BEADHM C[C@H](C(=O)[O-])N(C)Cc1ccccc1OC1CC1 ZINC000568287603 326341694 /nfs/dbraw/zinc/34/16/94/326341694.db2.gz DOWUUZBUEYSNOV-SNVBAGLBSA-N -1 3 249.310 2.133 20 0 BEADHM CN(Cc1cccc(O)c1)Cc1ncccc1[O-] ZINC000568446861 326357289 /nfs/dbraw/zinc/35/72/89/326357289.db2.gz XUJQFMOZRAYQFY-UHFFFAOYSA-N -1 3 244.294 2.125 20 0 BEADHM O=C(c1cc([O-])ccc1F)N1CCC[C@@H](F)C1 ZINC000569231622 326396600 /nfs/dbraw/zinc/39/66/00/326396600.db2.gz DZJBQHYHRWLQQL-MRVPVSSYSA-N -1 3 241.237 2.105 20 0 BEADHM CCc1cccc(C(=O)NCC[C@@H](C)F)c1[O-] ZINC000569257947 326398059 /nfs/dbraw/zinc/39/80/59/326398059.db2.gz GKCFFKVMNUVZBF-SECBINFHSA-N -1 3 239.290 2.433 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CC(C(C)C)C2)c1 ZINC000677127440 487977269 /nfs/dbraw/zinc/97/72/69/487977269.db2.gz HCIGVCONBHOMTO-UHFFFAOYSA-N -1 3 233.311 2.429 20 0 BEADHM C[C@H]1CCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000235662527 488000535 /nfs/dbraw/zinc/00/05/35/488000535.db2.gz ZMOVRMRBUMDRQJ-VIFPVBQESA-N -1 3 237.274 2.366 20 0 BEADHM CCc1n[nH]cc1C(=O)Nc1ccc(C)cc1[O-] ZINC000677502756 488053901 /nfs/dbraw/zinc/05/39/01/488053901.db2.gz QQNGEJAVYHBFRJ-UHFFFAOYSA-N -1 3 245.282 2.238 20 0 BEADHM CC[C@@H](COc1ccc2c([O-])coc2c1)OC ZINC000396971210 488068493 /nfs/dbraw/zinc/06/84/93/488068493.db2.gz GQUIZBWCYWDSNO-VIFPVBQESA-N -1 3 236.267 2.066 20 0 BEADHM CC[C@@H](C(=O)[O-])N1CC=C(C(F)(F)F)CC1 ZINC000382546079 487545144 /nfs/dbraw/zinc/54/51/44/487545144.db2.gz ZERCUYTVKNBBOW-QMMMGPOBSA-N -1 3 237.221 2.044 20 0 BEADHM Cc1ccc(CN2CC[C@H](C(=O)[O-])C2)cc1F ZINC000086789962 487556507 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XGIMKYVLBJWXDX-SKDRFNHKSA-N -1 3 237.274 2.212 20 0 BEADHM C[C@@H]1CN(Cc2ccc([O-])c(F)c2)[C@H]1C ZINC000894627316 583495849 /nfs/dbraw/zinc/49/58/49/583495849.db2.gz FUPJXTUXZRZRNZ-BDAKNGLRSA-N -1 3 209.264 2.372 20 0 BEADHM O=c1cc(NCC[C@H]2CC2(Cl)Cl)nc[n-]1 ZINC000894676384 583504674 /nfs/dbraw/zinc/50/46/74/583504674.db2.gz NYOSIKQFWIBMLA-LURJTMIESA-N -1 3 248.113 2.178 20 0 BEADHM CCCCC[C@H](C)CC(=O)[N-]OCCOC ZINC000748775013 583548655 /nfs/dbraw/zinc/54/86/55/583548655.db2.gz YFTHGYFADICNAH-NSHDSACASA-N -1 3 231.336 2.287 20 0 BEADHM COCC1CN(Cc2cc([O-])cc(Cl)c2)C1 ZINC000895975594 583753106 /nfs/dbraw/zinc/75/31/06/583753106.db2.gz CGWWAIGIWQDSRM-UHFFFAOYSA-N -1 3 241.718 2.124 20 0 BEADHM CC1=NO[C@@H](c2nc(-c3ccc([O-])cc3)no2)C1 ZINC000896166023 583777136 /nfs/dbraw/zinc/77/71/36/583777136.db2.gz QBFQYBSCEMFUGV-SNVBAGLBSA-N -1 3 245.238 2.280 20 0 BEADHM Cc1nc(N[C@H]2CCS[C@@H](C)C2)cc(=O)[n-]1 ZINC000896246490 583784903 /nfs/dbraw/zinc/78/49/03/583784903.db2.gz MUBMUZZWPWFQJP-CBAPKCEASA-N -1 3 239.344 2.187 20 0 BEADHM O=C([N-]OCc1ccccc1)C12CC(C1)C2 ZINC000858168527 588936505 /nfs/dbraw/zinc/93/65/05/588936505.db2.gz NEIJIUSAPKQESV-UHFFFAOYSA-N -1 3 217.268 2.035 20 0 BEADHM Cc1nc(N(Cc2ccoc2)C2CC2)cc(=O)[n-]1 ZINC000897107549 583881073 /nfs/dbraw/zinc/88/10/73/583881073.db2.gz DAPFIYXGDFTCPB-UHFFFAOYSA-N -1 3 245.282 2.253 20 0 BEADHM O=c1[n-]nc(Cl)cc1N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000897177321 583890111 /nfs/dbraw/zinc/89/01/11/583890111.db2.gz NHHMVPHKXHBBTN-BWZBUEFSSA-N -1 3 239.706 2.436 20 0 BEADHM CCCC1(C(=O)[N-]OC[C@@H]2CCOC2)CCC1 ZINC000788272191 583906249 /nfs/dbraw/zinc/90/62/49/583906249.db2.gz VBAMDJTZFAHMQH-LLVKDONJSA-N -1 3 241.331 2.041 20 0 BEADHM CO[N-]C(=O)CCc1ccc(Cl)c(F)c1 ZINC000858300546 588942413 /nfs/dbraw/zinc/94/24/13/588942413.db2.gz ONARIZJGXOGLGE-UHFFFAOYSA-N -1 3 231.654 2.089 20 0 BEADHM CCC1(C(=O)[N-]OC[C@@H]2CCOC2)CCCC1 ZINC000788273281 583945250 /nfs/dbraw/zinc/94/52/50/583945250.db2.gz JISRRWOFOHKNPK-LLVKDONJSA-N -1 3 241.331 2.041 20 0 BEADHM C[C@H](N[C@@H]1CO[C@H](C)C1)c1cccc([O-])c1F ZINC000872082675 583945633 /nfs/dbraw/zinc/94/56/33/583945633.db2.gz ZLYIZBQBHWQAKV-UTLUCORTSA-N -1 3 239.290 2.359 20 0 BEADHM CCCO[N-]C(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC000898090557 584081842 /nfs/dbraw/zinc/08/18/42/584081842.db2.gz QOBSQTHANCPKCG-NSHDSACASA-N -1 3 241.331 2.184 20 0 BEADHM C[C@@H]1OCC[C@@H]1Sc1cc(Cl)nc(=O)[n-]1 ZINC000858457334 588955834 /nfs/dbraw/zinc/95/58/34/588955834.db2.gz OSROIADNQLTOHY-WDSKDSINSA-N -1 3 246.719 2.105 20 0 BEADHM CC[C@@H](OC(=O)c1c([O-])cccc1F)C(C)=O ZINC000873381015 584148860 /nfs/dbraw/zinc/14/88/60/584148860.db2.gz XRDAEOFWWGFMHD-SNVBAGLBSA-N -1 3 240.230 2.056 20 0 BEADHM O=c1nc(Cl)cc(SC[C@@H]2CCCO2)[n-]1 ZINC000858515787 588962305 /nfs/dbraw/zinc/96/23/05/588962305.db2.gz UBWWWKCTWTTWSS-LURJTMIESA-N -1 3 246.719 2.107 20 0 BEADHM C/C=C(\CC)C(=O)[N-]OCc1cccc(C)n1 ZINC000898931476 584166173 /nfs/dbraw/zinc/16/61/73/584166173.db2.gz YULWTYDIPICKTN-NYYWCZLTSA-N -1 3 234.299 2.294 20 0 BEADHM CC(C)(C)Cn1[n-]cc2c(=O)cccc-2c1=O ZINC000899347592 584199481 /nfs/dbraw/zinc/19/94/81/584199481.db2.gz ZOTXOPSYFYHWEY-UHFFFAOYSA-N -1 3 232.283 2.148 20 0 BEADHM CC(C)(C)Cn1ncc2c([O-])cccc2c1=O ZINC000899347592 584199483 /nfs/dbraw/zinc/19/94/83/584199483.db2.gz ZOTXOPSYFYHWEY-UHFFFAOYSA-N -1 3 232.283 2.148 20 0 BEADHM Cc1[n-]n(CCc2ccncc2)c(=O)c1C(C)C ZINC000899349364 584203443 /nfs/dbraw/zinc/20/34/43/584203443.db2.gz BEFLPLPSNHBIPK-ZDUSSCGKSA-N -1 3 245.326 2.114 20 0 BEADHM CCC(F)(F)C(=O)[N-]Cc1cc(C2CC2)no1 ZINC000899367904 584208086 /nfs/dbraw/zinc/20/80/86/584208086.db2.gz DMVIVMMYCQSYJG-UHFFFAOYSA-N -1 3 244.241 2.214 20 0 BEADHM CCC/C=C/[C@@H](O)C(=O)Nc1ccc(C)cc1[O-] ZINC000899941789 584259136 /nfs/dbraw/zinc/25/91/36/584259136.db2.gz KWPJHOCFJMYBMR-BTDICHCPSA-N -1 3 249.310 2.356 20 0 BEADHM O=C([N-]c1noc2c1CCCC2)c1cscn1 ZINC000900781679 584350029 /nfs/dbraw/zinc/35/00/29/584350029.db2.gz UWYPDGMACUXKCM-UHFFFAOYSA-N -1 3 249.295 2.262 20 0 BEADHM Cc1cccc([O-])c1NC(=O)CN(C)C1CCC1 ZINC000901293939 584423174 /nfs/dbraw/zinc/42/31/74/584423174.db2.gz NXSVTDVKSFXKEM-UHFFFAOYSA-N -1 3 248.326 2.123 20 0 BEADHM CC1(CN2CC[C@](F)(C(=O)[O-])C2)CCCC1 ZINC000901520648 584458108 /nfs/dbraw/zinc/45/81/08/584458108.db2.gz YGQRYJIICVFLHX-GFCCVEGCSA-N -1 3 229.295 2.065 20 0 BEADHM CCCCC[C@@H](NCc1ccns1)C(=O)[O-] ZINC000901728054 584485350 /nfs/dbraw/zinc/48/53/50/584485350.db2.gz XYGDCQPVEXPPHB-SNVBAGLBSA-N -1 3 242.344 2.266 20 0 BEADHM Cc1ccoc1CNC1(CC(=O)[O-])CCC1 ZINC000901707908 584486216 /nfs/dbraw/zinc/48/62/16/584486216.db2.gz XNLUSGZIBJIGDQ-UHFFFAOYSA-N -1 3 223.272 2.075 20 0 BEADHM C[C@@H]1C[C@H]1CNCc1ccc(C(=O)[O-])cc1F ZINC000901756669 584490325 /nfs/dbraw/zinc/49/03/25/584490325.db2.gz ZPXCNUWHKXLUOE-KCJUWKMLSA-N -1 3 237.274 2.270 20 0 BEADHM Cc1cc(CN[C@@H](CC(F)F)C(=O)[O-])cs1 ZINC000901813106 584499101 /nfs/dbraw/zinc/49/91/01/584499101.db2.gz OVJQHDLOGXFOIW-QMMMGPOBSA-N -1 3 249.282 2.255 20 0 BEADHM CC(C)[C@](C)(CC(=O)[O-])NCc1nccs1 ZINC000901818912 584500452 /nfs/dbraw/zinc/50/04/52/584500452.db2.gz MHZIYNSADWGYLK-NSHDSACASA-N -1 3 242.344 2.122 20 0 BEADHM CON(C)Cc1cc([O-])ccc1Cl ZINC000859068996 588996704 /nfs/dbraw/zinc/99/67/04/588996704.db2.gz AHFVNEVDXWVBGN-UHFFFAOYSA-N -1 3 201.653 2.039 20 0 BEADHM O=C([O-])c1coc(CN[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000901952682 584508254 /nfs/dbraw/zinc/50/82/54/584508254.db2.gz QVTUAEVZWZBADR-ZHAHWJHGSA-N -1 3 235.283 2.256 20 0 BEADHM CCCCNCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902048685 584516672 /nfs/dbraw/zinc/51/66/72/584516672.db2.gz BYHYZMSBOKPDBB-VOTSOKGWSA-N -1 3 223.272 2.267 20 0 BEADHM CC[C@H](C)NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902048353 584516742 /nfs/dbraw/zinc/51/67/42/584516742.db2.gz OCBBRFOZXGLGLW-NMTCXDENSA-N -1 3 223.272 2.266 20 0 BEADHM C[C@@H]1C[C@@H](NCc2ccco2)CC[C@@H]1C(=O)[O-] ZINC000902050233 584517139 /nfs/dbraw/zinc/51/71/39/584517139.db2.gz VZKNUQQAPJEJJH-SCVCMEIPSA-N -1 3 237.299 2.259 20 0 BEADHM CCc1oc(CN[C@@H](C)CC)cc1C(=O)[O-] ZINC000902050628 584517174 /nfs/dbraw/zinc/51/71/74/584517174.db2.gz YFMPDXMTGSPLQX-QMMMGPOBSA-N -1 3 225.288 2.428 20 0 BEADHM CCc1oc(CN[C@H](C)CC)cc1C(=O)[O-] ZINC000902050625 584517369 /nfs/dbraw/zinc/51/73/69/584517369.db2.gz YFMPDXMTGSPLQX-MRVPVSSYSA-N -1 3 225.288 2.428 20 0 BEADHM CC1(C(=O)[O-])CC(NCc2ccccc2F)C1 ZINC000902062610 584521729 /nfs/dbraw/zinc/52/17/29/584521729.db2.gz TZLCPEIPMJDLAV-UHFFFAOYSA-N -1 3 237.274 2.169 20 0 BEADHM O=C([O-])/C=C\c1ccc(CNCC2CCC2)o1 ZINC000902135522 584525961 /nfs/dbraw/zinc/52/59/61/584525961.db2.gz FHPGZDXOKDBQJF-SREVYHEPSA-N -1 3 235.283 2.267 20 0 BEADHM O=C([O-])/C=C/c1ccc(CNC[C@@H]2C=CCC2)o1 ZINC000902273050 584550149 /nfs/dbraw/zinc/55/01/49/584550149.db2.gz GTPFHDCNPXWOJJ-WSKFYRRCSA-N -1 3 247.294 2.433 20 0 BEADHM O=C([O-])/C=C/c1ccc(CN2CC[C@@H]3C[C@@H]3C2)o1 ZINC000902434502 584595920 /nfs/dbraw/zinc/59/59/20/584595920.db2.gz YMJUFZMFINFSPL-YIZUVKHSSA-N -1 3 247.294 2.219 20 0 BEADHM CN(Cc1cccc(C(=O)[O-])n1)C[C@H]1CC1(C)C ZINC000902452005 584607437 /nfs/dbraw/zinc/60/74/37/584607437.db2.gz GGZCWRIHTIXTHC-SNVBAGLBSA-N -1 3 248.326 2.258 20 0 BEADHM O=C([O-])c1cccc(CN[C@@H]2C[C@H]2C2CCC2)n1 ZINC000902467135 584615010 /nfs/dbraw/zinc/61/50/10/584615010.db2.gz OLLPJVOASFZYDO-WCQYABFASA-N -1 3 246.310 2.058 20 0 BEADHM CN(Cc1ccc(/C=C\C(=O)[O-])o1)C1CCC1 ZINC000902518648 584630803 /nfs/dbraw/zinc/63/08/03/584630803.db2.gz PHDOZMBCFQUQRS-FPLPWBNLSA-N -1 3 235.283 2.362 20 0 BEADHM CC(C)N(C(=O)c1csc(=O)[n-]1)C(C)C ZINC000903138907 584730303 /nfs/dbraw/zinc/73/03/03/584730303.db2.gz AEZISDZCHUEFOO-UHFFFAOYSA-N -1 3 228.317 2.108 20 0 BEADHM CN(CCCF)[C@H](C(=O)[O-])c1ccsc1 ZINC000903624953 584787795 /nfs/dbraw/zinc/78/77/95/584787795.db2.gz DIHLTUFPEUSPDM-VIFPVBQESA-N -1 3 231.292 2.165 20 0 BEADHM C[C@@H]1CC[C@H](C)N1Cc1cncc(C(=O)[O-])c1 ZINC000903896006 584819556 /nfs/dbraw/zinc/81/95/56/584819556.db2.gz AGQPJGICYKTUNU-AOOOYVTPSA-N -1 3 234.299 2.153 20 0 BEADHM CCCCN([O-])C(=O)NOCCC(F)(F)F ZINC000904182639 584844892 /nfs/dbraw/zinc/84/48/92/584844892.db2.gz KRVCSHMOJGGYGH-UHFFFAOYSA-N -1 3 244.213 2.071 20 0 BEADHM CCCCCCN([O-])C(=O)NOCCC ZINC000904195276 584850095 /nfs/dbraw/zinc/85/00/95/584850095.db2.gz AWBMYXQXZHBPCW-UHFFFAOYSA-N -1 3 218.297 2.309 20 0 BEADHM CSc1cccc(F)c1CN[C@@H](C)C(=O)[O-] ZINC000904239630 584858261 /nfs/dbraw/zinc/85/82/61/584858261.db2.gz OFQUZGSXZXEJLV-ZETCQYMHSA-N -1 3 243.303 2.110 20 0 BEADHM CC(C)[C@@H](CO)O[N-]C(=O)C(C)(C)C(C)(C)C ZINC000836892236 584937398 /nfs/dbraw/zinc/93/73/98/584937398.db2.gz CTZSSSUWJAWSEW-SNVBAGLBSA-N -1 3 245.363 2.123 20 0 BEADHM O=C(OCCCCO)c1cc2ccsc2[n-]1 ZINC000733407599 584948121 /nfs/dbraw/zinc/94/81/21/584948121.db2.gz NUGMPZBSNGDMFD-UHFFFAOYSA-N -1 3 239.296 2.159 20 0 BEADHM C[C@H](OC(=O)c1cncc([O-])c1)c1cccnc1 ZINC000733495392 584949957 /nfs/dbraw/zinc/94/99/57/584949957.db2.gz PDPQNDTVFCZCHV-VIFPVBQESA-N -1 3 244.250 2.100 20 0 BEADHM C[C@@H]1C[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC000736234988 584993236 /nfs/dbraw/zinc/99/32/36/584993236.db2.gz CPYDWQJATURPJL-SFYZADRCSA-N -1 3 247.277 2.074 20 0 BEADHM C[C@@H]1C[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000736234988 584993237 /nfs/dbraw/zinc/99/32/37/584993237.db2.gz CPYDWQJATURPJL-SFYZADRCSA-N -1 3 247.277 2.074 20 0 BEADHM C[C@@H]1CN=C([N-]C(=O)[C@@]2(C)CCC[C@@H]2C)S1 ZINC000819781058 585007562 /nfs/dbraw/zinc/00/75/62/585007562.db2.gz KZWCXQHEQXVYOS-SBMIAAHKSA-N -1 3 240.372 2.420 20 0 BEADHM C[C@H](NC(C)(C)CNC(=O)[O-])c1ccccc1 ZINC000736662451 585008601 /nfs/dbraw/zinc/00/86/01/585008601.db2.gz OVFUUWJKGFEEAB-JTQLQIEISA-N -1 3 236.315 2.383 20 0 BEADHM O=C(C[C@H]1C=CCC1)[N-]Oc1ccccc1 ZINC000773468674 585022502 /nfs/dbraw/zinc/02/25/02/585022502.db2.gz URIHUYAIHBEANU-NSHDSACASA-N -1 3 217.268 2.453 20 0 BEADHM CSC[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737175652 585026913 /nfs/dbraw/zinc/02/69/13/585026913.db2.gz FQQUOPFZJJLSBU-QMMMGPOBSA-N -1 3 249.343 2.030 20 0 BEADHM CSC[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737175652 585026914 /nfs/dbraw/zinc/02/69/14/585026914.db2.gz FQQUOPFZJJLSBU-QMMMGPOBSA-N -1 3 249.343 2.030 20 0 BEADHM C[Si](C)(C)COc1ccccc1-c1nnn[n-]1 ZINC000737196352 585027270 /nfs/dbraw/zinc/02/72/70/585027270.db2.gz GHZNVAXXEONRCY-UHFFFAOYSA-N -1 3 248.362 2.123 20 0 BEADHM C[Si](C)(C)COc1ccccc1-c1nn[n-]n1 ZINC000737196352 585027271 /nfs/dbraw/zinc/02/72/71/585027271.db2.gz GHZNVAXXEONRCY-UHFFFAOYSA-N -1 3 248.362 2.123 20 0 BEADHM CC[C@H](C)OC(=O)Cc1ccc([O-])c(F)c1 ZINC000838142268 585047188 /nfs/dbraw/zinc/04/71/88/585047188.db2.gz MQPWJFBHNTXAHA-QMMMGPOBSA-N -1 3 226.247 2.416 20 0 BEADHM CCO[N-]C(=O)Cc1cccc(C2CC2)c1 ZINC000839473621 585105086 /nfs/dbraw/zinc/10/50/86/585105086.db2.gz DWKALTJUIJYEQY-UHFFFAOYSA-N -1 3 219.284 2.174 20 0 BEADHM CC1=C(C(=O)[N-]O[C@@H]2CCCCO2)CCC1 ZINC000747402456 585178633 /nfs/dbraw/zinc/17/86/33/585178633.db2.gz CQZXXRQTPXCSBY-LLVKDONJSA-N -1 3 225.288 2.061 20 0 BEADHM CCC[C@@H](C)OC(=O)c1ccc([O-])cc1O ZINC000748111389 585187219 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/nfs/dbraw/zinc/25/93/81/585259381.db2.gz YJOFZPCABKONQD-QMMMGPOBSA-N -1 3 234.299 2.470 20 0 BEADHM COCCCO[N-]C(=O)CCCC1CCCC1 ZINC000805045935 585265391 /nfs/dbraw/zinc/26/53/91/585265391.db2.gz ZISBUHPWGNXRJE-UHFFFAOYSA-N -1 3 243.347 2.431 20 0 BEADHM CC[C@H](C)CCCCC(=O)[N-]OCC(C)(C)O ZINC000839745429 585340174 /nfs/dbraw/zinc/34/01/74/585340174.db2.gz QRPPLWWIRGNJGL-NSHDSACASA-N -1 3 245.363 2.412 20 0 BEADHM O=C([N-]OC1CCC1)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC000839778547 585341529 /nfs/dbraw/zinc/34/15/29/585341529.db2.gz XOWMOEQFWPBNPG-QWHCGFSZSA-N -1 3 247.294 2.096 20 0 BEADHM O=C(Cc1cccc(Cl)c1)[N-]OCC(F)F ZINC000759351553 585370890 /nfs/dbraw/zinc/37/08/90/585370890.db2.gz NZGVLZTWQLOFOW-UHFFFAOYSA-N -1 3 249.644 2.195 20 0 BEADHM C/C=C(\C)C(=O)Nc1cccc([O-])c1F ZINC000762318110 585430945 /nfs/dbraw/zinc/43/09/45/585430945.db2.gz YZNDGOFALOSRKK-XVNBXDOJSA-N -1 3 209.220 2.436 20 0 BEADHM Cc1ncsc1C=Cc1nccc(=O)[n-]1 ZINC000764434493 585465424 /nfs/dbraw/zinc/46/54/24/585465424.db2.gz JYMKSKQLBPQQCU-IHWYPQMZSA-N -1 3 219.269 2.118 20 0 BEADHM O=c1ccnc(C=Cc2ccc(Cl)nc2)[n-]1 ZINC000764437290 585465764 /nfs/dbraw/zinc/46/57/64/585465764.db2.gz YHVRHOUGRDAFAE-DUXPYHPUSA-N -1 3 233.658 2.401 20 0 BEADHM CCO[N-]C(=O)CCc1cncc2ccccc21 ZINC000765369837 585484491 /nfs/dbraw/zinc/48/44/91/585484491.db2.gz QRSJTECYGXBHCV-UHFFFAOYSA-N -1 3 244.294 2.235 20 0 BEADHM CCC/C(C)=C\C(=O)[N-]OCC(F)(F)F ZINC000766761283 585508149 /nfs/dbraw/zinc/50/81/49/585508149.db2.gz ATOCEBUTISJZQJ-ALCCZGGFSA-N -1 3 225.210 2.343 20 0 BEADHM CC/C=C/CCOC(=O)c1cncc([O-])c1 ZINC000767546790 585522350 /nfs/dbraw/zinc/52/23/50/585522350.db2.gz JPFAVTIDRHBQPM-ONEGZZNKSA-N -1 3 221.256 2.300 20 0 BEADHM Cc1csc(CCC(=O)[N-]OCC(C)C)n1 ZINC000767969023 585528988 /nfs/dbraw/zinc/52/89/88/585528988.db2.gz LNKZQEFZPGYGNQ-UHFFFAOYSA-N -1 3 242.344 2.088 20 0 BEADHM CC(=O)CCN(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000768339602 585536011 /nfs/dbraw/zinc/53/60/11/585536011.db2.gz BBUUQZJQNUCIJF-UHFFFAOYSA-N -1 3 249.310 2.060 20 0 BEADHM Cc1cnc(CO[N-]C(=O)C(C)(C)C)s1 ZINC000771651302 585598559 /nfs/dbraw/zinc/59/85/59/585598559.db2.gz DHVIKQCDTQSSCJ-UHFFFAOYSA-N -1 3 228.317 2.045 20 0 BEADHM CCCC(=O)COC(=O)c1c([O-])cccc1F ZINC000772583079 585618571 /nfs/dbraw/zinc/61/85/71/585618571.db2.gz RSEQTOBIJHTNTO-UHFFFAOYSA-N -1 3 240.230 2.057 20 0 BEADHM CC1(C)CCC[C@@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000772658669 585619948 /nfs/dbraw/zinc/61/99/48/585619948.db2.gz XQZSKFGWEIMJKE-MNOVXSKESA-N -1 3 241.331 2.387 20 0 BEADHM CCOCCO[N-]C(=O)C1(CC)CCCC1 ZINC000772696301 585620885 /nfs/dbraw/zinc/62/08/85/585620885.db2.gz QLSATXVKUJBADF-UHFFFAOYSA-N -1 3 229.320 2.041 20 0 BEADHM CCOCCO[N-]C(=O)/C(C)=C\C(C)(C)C ZINC000772701312 585621260 /nfs/dbraw/zinc/62/12/60/585621260.db2.gz COBUFIUTUOWONT-KTKRTIGZSA-N -1 3 229.320 2.063 20 0 BEADHM CCC[C@H](C)CC(=O)[N-]OC1CCOCC1 ZINC000772705588 585621496 /nfs/dbraw/zinc/62/14/96/585621496.db2.gz GFXJULYPZJTLBP-JTQLQIEISA-N -1 3 229.320 2.040 20 0 BEADHM 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585674659 /nfs/dbraw/zinc/67/46/59/585674659.db2.gz RPVWSFMQUYLYBC-UHFFFAOYSA-N -1 3 209.289 2.477 20 0 BEADHM O=C(CCCc1ccccn1)[N-]OC1CCCC1 ZINC000775277248 585674763 /nfs/dbraw/zinc/67/47/63/585674763.db2.gz VCWHRFNNVDBLCI-UHFFFAOYSA-N -1 3 248.326 2.395 20 0 BEADHM Cc1n[n-]nc1C(=O)OC[C@H](C)c1ccccc1 ZINC000805546037 585678646 /nfs/dbraw/zinc/67/86/46/585678646.db2.gz CLLZEKKVNDDZDA-VIFPVBQESA-N -1 3 245.282 2.074 20 0 BEADHM Cc1n[n-]nc1C(=O)O[C@H](C)c1ccccc1C ZINC000805546363 585679113 /nfs/dbraw/zinc/67/91/13/585679113.db2.gz HNTMDXZGOLSVLZ-SNVBAGLBSA-N -1 3 245.282 2.340 20 0 BEADHM Cc1n[n-]nc1C(=O)O[C@@H](C)c1ccccc1C ZINC000805546362 585679317 /nfs/dbraw/zinc/67/93/17/585679317.db2.gz HNTMDXZGOLSVLZ-JTQLQIEISA-N -1 3 245.282 2.340 20 0 BEADHM Cc1n[n-]nc1C(=O)O[C@H](C)c1ccccc1 ZINC000805546924 585679400 /nfs/dbraw/zinc/67/94/00/585679400.db2.gz MNDJNCSQODRCQQ-SECBINFHSA-N -1 3 231.255 2.031 20 0 BEADHM Cc1n[n-]nc1C(=O)OCCC1CCCCC1 ZINC000805548312 585680375 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247.302 2.368 20 0 BEADHM O=C([N-]c1nnco1)c1cc(Cl)ccc1F ZINC001148417639 973839407 /nfs/dbraw/zinc/83/94/07/973839407.db2.gz QUVLCOGXSYBBGE-UHFFFAOYSA-N -1 3 241.609 2.114 20 0 BEADHM O=c1[n-]cncc1Nc1ccc(O)cc1Cl ZINC001216426964 971083573 /nfs/dbraw/zinc/08/35/73/971083573.db2.gz PHHFPYRQJCNJGL-UHFFFAOYSA-N -1 3 237.646 2.285 20 0 BEADHM CC(C)CCOc1cccc(-c2nnn[n-]2)c1 ZINC000095149746 944611505 /nfs/dbraw/zinc/61/15/05/944611505.db2.gz ZLSWPUXTZHRCOB-UHFFFAOYSA-N -1 3 232.287 2.292 20 0 BEADHM CC(C)CCOc1cccc(-c2nn[n-]n2)c1 ZINC000095149746 944611514 /nfs/dbraw/zinc/61/15/14/944611514.db2.gz ZLSWPUXTZHRCOB-UHFFFAOYSA-N -1 3 232.287 2.292 20 0 BEADHM COc1cccc([O-])c1C(=O)N1CC=C(C)CC1 ZINC000405435542 971256246 /nfs/dbraw/zinc/25/62/46/971256246.db2.gz CDULDZHQZGSESU-UHFFFAOYSA-N -1 3 247.294 2.193 20 0 BEADHM CCC[C@H](C)NC(=O)c1c([O-])cccc1OC ZINC000405489609 971266556 /nfs/dbraw/zinc/26/65/56/971266556.db2.gz OVZLNCIQBIIMIL-VIFPVBQESA-N -1 3 237.299 2.319 20 0 BEADHM [O-]c1cc(Cl)ccc1-c1cnc2n[nH]nc2c1 ZINC001244470004 971282402 /nfs/dbraw/zinc/28/24/02/971282402.db2.gz UZFPFWMGEXYRPC-UHFFFAOYSA-N -1 3 246.657 2.379 20 0 BEADHM O=c1[nH]c(-c2nnc(C3CCCC3)o2)ccc1[O-] ZINC001257576818 971454667 /nfs/dbraw/zinc/45/46/67/971454667.db2.gz HMJFCXQIHOQKIR-UHFFFAOYSA-N -1 3 247.254 2.200 20 0 BEADHM CC[C@H](N[C@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000134965502 949333626 /nfs/dbraw/zinc/33/36/26/949333626.db2.gz SGKLVNGOLOOAGK-XCBNKYQSSA-N -1 3 243.253 2.479 20 0 BEADHM [O-]c1ccc(Cl)cc1-c1cnc2n[nH]nc2c1 ZINC001245050121 971608448 /nfs/dbraw/zinc/60/84/48/971608448.db2.gz CQAOLAVXDXKJPA-UHFFFAOYSA-N -1 3 246.657 2.379 20 0 BEADHM CC(C)C1(NCc2ncc(C(=O)[O-])s2)CC1 ZINC000379747185 971657964 /nfs/dbraw/zinc/65/79/64/971657964.db2.gz XRWGXLBFVPFYKC-UHFFFAOYSA-N -1 3 240.328 2.120 20 0 BEADHM Cc1cc([O-])c(Cl)cc1O[C@H]1C[C@H](O)C1 ZINC001218363969 971743185 /nfs/dbraw/zinc/74/31/85/971743185.db2.gz NLBCJVJAZCMRSX-ZKCHVHJHSA-N -1 3 228.675 2.256 20 0 BEADHM [O-]c1ccc(Cl)c(O[C@H]2C[C@H](O)C2)c1F ZINC001218367261 971751973 /nfs/dbraw/zinc/75/19/73/971751973.db2.gz ZVTIKPLDKSDBJF-IZLXSQMJSA-N -1 3 232.638 2.087 20 0 BEADHM OC1CCC(Oc2nc3ccsc3[n-]2)CC1 ZINC001218372704 971756505 /nfs/dbraw/zinc/75/65/05/971756505.db2.gz QQOYYZLDRFNCIL-UHFFFAOYSA-N -1 3 238.312 2.307 20 0 BEADHM OC1CCC(Oc2nc3sccc3[n-]2)CC1 ZINC001218372704 971756507 /nfs/dbraw/zinc/75/65/07/971756507.db2.gz QQOYYZLDRFNCIL-UHFFFAOYSA-N -1 3 238.312 2.307 20 0 BEADHM CC[C@H](CSC)NCc1cc(C(=O)[O-])co1 ZINC000217328191 971787550 /nfs/dbraw/zinc/78/75/50/971787550.db2.gz FLDHLYPAKMONHU-SECBINFHSA-N -1 3 243.328 2.209 20 0 BEADHM CC(F)(F)C(=O)[N-]CC=C(Cl)Cl ZINC000407160822 971809146 /nfs/dbraw/zinc/80/91/46/971809146.db2.gz OWILGGASZCXPDM-UHFFFAOYSA-N -1 3 218.030 2.077 20 0 BEADHM [O-]c1cccc(F)c1-c1ccn2ncnc2c1 ZINC001245654760 971952198 /nfs/dbraw/zinc/95/21/98/971952198.db2.gz GGHKGDFTPWXUFC-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM CCOc1ncc(-c2cc([O-])cc(F)c2)cn1 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/nfs/dbraw/zinc/92/34/48/963923448.db2.gz HPGLLYWHNBTPPM-UHFFFAOYSA-N -1 3 245.282 2.193 20 0 BEADHM COc1cc(C)cnc1NCc1ncccc1[O-] ZINC001158773740 963925370 /nfs/dbraw/zinc/92/53/70/963925370.db2.gz BQOQMDRLJVIQQR-UHFFFAOYSA-N -1 3 245.282 2.111 20 0 BEADHM [O-]c1ccc(Nc2cccnn2)c(F)c1F ZINC001211998051 964145327 /nfs/dbraw/zinc/14/53/27/964145327.db2.gz YIKPBZLFSDUAJF-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM O=c1cc[nH]cc1Nc1ccc([O-])c(F)c1F ZINC001212007575 964158108 /nfs/dbraw/zinc/15/81/08/964158108.db2.gz OBTYEODLZKMAFJ-UHFFFAOYSA-N -1 3 238.193 2.102 20 0 BEADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccncc1[O-] ZINC001160746578 964405611 /nfs/dbraw/zinc/40/56/11/964405611.db2.gz FNYJQUSAYAUUBK-GHMZBOCLSA-N -1 3 248.326 2.364 20 0 BEADHM Cc1ncc(Nc2ccc(C(C)C)cn2)c(=O)[n-]1 ZINC001162300229 964917777 /nfs/dbraw/zinc/91/77/77/964917777.db2.gz HGMUCPXAEQMYBQ-LLVKDONJSA-N -1 3 244.298 2.015 20 0 BEADHM F[C@@H]1CCCC[C@H]1Nc1ccc(=S)[n-]n1 ZINC001162508696 965005204 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/nfs/dbraw/zinc/93/21/62/974932162.db2.gz JZTZXRQOIWETSN-SECBINFHSA-N -1 3 240.303 2.075 20 0 BEADHM CC[C@@H](C)[C@H](C)Oc1cc(=O)[n-]c(C)n1 ZINC001226511295 974934359 /nfs/dbraw/zinc/93/43/59/974934359.db2.gz WEXXHCYAPIDNQQ-SFYZADRCSA-N -1 3 210.277 2.304 20 0 BEADHM CC[C@@H](Oc1cc(=O)[n-]c(C)n1)C(C)C ZINC001226512644 974937380 /nfs/dbraw/zinc/93/73/80/974937380.db2.gz UCOGXCDYGSLDSD-SECBINFHSA-N -1 3 210.277 2.304 20 0 BEADHM C1=CC=C(N[C@H]2CCc3ncsc3C2)[CH]1 ZINC001173139321 975040491 /nfs/dbraw/zinc/04/04/91/975040491.db2.gz GGIIZJCRDAZHLE-JTQLQIEISA-N -1 3 217.317 2.248 20 0 BEADHM COC(=O)C[C@@H](C)Oc1cccc([O-])c1Cl ZINC001226712047 975044102 /nfs/dbraw/zinc/04/41/02/975044102.db2.gz ODQVWWZQQMNKAQ-SSDOTTSWSA-N -1 3 244.674 2.376 20 0 BEADHM S=c1nccc(O[C@H]2C[C@H]3C=C[C@@H]2C3)[n-]1 ZINC001226938851 975161909 /nfs/dbraw/zinc/16/19/09/975161909.db2.gz DWSWQQVVPIBRED-YIZRAAEISA-N -1 3 220.297 2.109 20 0 BEADHM C[C@@H](Oc1ccnc(=S)[n-]1)C(F)(F)F ZINC001226938301 975163862 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ZSZAXFCZBPRMEW-UHFFFAOYSA-N -1 3 222.223 2.010 20 0 BEADHM CCC(CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228698086 976438967 /nfs/dbraw/zinc/43/89/67/976438967.db2.gz SIBOITKXRBJBAL-UHFFFAOYSA-N -1 3 232.287 2.434 20 0 BEADHM CCC[C@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228695241 976439730 /nfs/dbraw/zinc/43/97/30/976439730.db2.gz KNRVUNNNURUYRY-VIFPVBQESA-N -1 3 232.287 2.434 20 0 BEADHM CCC[C@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228695241 976439734 /nfs/dbraw/zinc/43/97/34/976439734.db2.gz KNRVUNNNURUYRY-VIFPVBQESA-N -1 3 232.287 2.434 20 0 BEADHM CCC[C@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228695241 976439741 /nfs/dbraw/zinc/43/97/41/976439741.db2.gz KNRVUNNNURUYRY-VIFPVBQESA-N -1 3 232.287 2.434 20 0 BEADHM c1cncc(-c2nnc(O[C@@H]3C=CCCC3)[n-]2)c1 ZINC001228695633 976439919 /nfs/dbraw/zinc/43/99/19/976439919.db2.gz OBKDQUFBSORHDV-LLVKDONJSA-N -1 3 242.282 2.354 20 0 BEADHM c1cncc(-c2n[n-]c(O[C@@H]3C=CCCC3)n2)c1 ZINC001228695633 976439925 /nfs/dbraw/zinc/43/99/25/976439925.db2.gz OBKDQUFBSORHDV-LLVKDONJSA-N -1 3 242.282 2.354 20 0 BEADHM c1cncc(-c2nc(O[C@@H]3C=CCCC3)n[n-]2)c1 ZINC001228695633 976439949 /nfs/dbraw/zinc/43/99/49/976439949.db2.gz OBKDQUFBSORHDV-LLVKDONJSA-N -1 3 242.282 2.354 20 0 BEADHM CCC(CC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228695620 976440392 /nfs/dbraw/zinc/44/03/92/976440392.db2.gz NTECMNVXKQEHLK-UHFFFAOYSA-N -1 3 232.287 2.434 20 0 BEADHM CCC(CC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228695620 976440397 /nfs/dbraw/zinc/44/03/97/976440397.db2.gz NTECMNVXKQEHLK-UHFFFAOYSA-N -1 3 232.287 2.434 20 0 BEADHM CCC(CC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228695620 976440400 /nfs/dbraw/zinc/44/04/00/976440400.db2.gz NTECMNVXKQEHLK-UHFFFAOYSA-N -1 3 232.287 2.434 20 0 BEADHM O=c1cc(Nc2cn[nH]c2)[n-]n1-c1ccccc1 ZINC001174295516 976477241 /nfs/dbraw/zinc/47/72/41/976477241.db2.gz GWNCHKNJGJZSEZ-UHFFFAOYSA-N -1 3 241.254 2.045 20 0 BEADHM [O-]c1c(F)cc(Nc2cncnc2)cc1F ZINC001174386697 976632248 /nfs/dbraw/zinc/63/22/48/976632248.db2.gz LWWOEYVUWZTDKV-UHFFFAOYSA-N -1 3 223.182 2.204 20 0 BEADHM CC(C)(CC(=O)[O-])NCc1nc(Cl)cs1 ZINC001334778721 976648888 /nfs/dbraw/zinc/64/88/88/976648888.db2.gz ZZABWGJMPKKNPE-UHFFFAOYSA-N -1 3 248.735 2.139 20 0 BEADHM Cn1ccnc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174494117 976720646 /nfs/dbraw/zinc/72/06/46/976720646.db2.gz PSESSUWAPMCWEN-AATRIKPKSA-N -1 3 243.266 2.262 20 0 BEADHM [O-]c1cc(F)cnc1Nc1cnn(CC2CC2)c1 ZINC001174467907 976770778 /nfs/dbraw/zinc/77/07/78/976770778.db2.gz MHCUFCQZADSQCD-UHFFFAOYSA-N -1 3 248.261 2.276 20 0 BEADHM COc1cccc2nc(=O)[n-]c(OC(C)C)c21 ZINC001229240104 976806702 /nfs/dbraw/zinc/80/67/02/976806702.db2.gz TZQSSPORKFVZHS-UHFFFAOYSA-N -1 3 234.255 2.131 20 0 BEADHM Cc1ccc([N-]c2nonc2N)cc1C ZINC001174632034 976901986 /nfs/dbraw/zinc/90/19/86/976901986.db2.gz RFWQRLBHPOSTBP-UHFFFAOYSA-N -1 3 204.233 2.012 20 0 BEADHM O=C([O-])c1occc1CN1CC(CC2CC2)C1 ZINC000699566550 976923587 /nfs/dbraw/zinc/92/35/87/976923587.db2.gz WEBZGUFHCKWRTM-UHFFFAOYSA-N -1 3 235.283 2.210 20 0 BEADHM Cc1nc(O[C@@H]2CCC[C@@H]2C)c(C)c(=O)[n-]1 ZINC001229683515 976943782 /nfs/dbraw/zinc/94/37/82/976943782.db2.gz HJFLRNSXZXSALI-OIBJUYFYSA-N -1 3 222.288 2.366 20 0 BEADHM CC(C)Oc1ccc(Nc2cnc[n-]c2=O)cn1 ZINC001174759051 977067919 /nfs/dbraw/zinc/06/79/19/977067919.db2.gz AYYAFVKXSFPZPX-UHFFFAOYSA-N -1 3 246.270 2.108 20 0 BEADHM O=c1[n-]cncc1Nc1cccc2ncccc21 ZINC001174906483 977158706 /nfs/dbraw/zinc/15/87/06/977158706.db2.gz MWRYGOFZJFRFJC-UHFFFAOYSA-N -1 3 238.250 2.474 20 0 BEADHM O=c1[n-]cncc1Nc1cc(F)c(F)c(F)c1 ZINC001174958655 977186157 /nfs/dbraw/zinc/18/61/57/977186157.db2.gz XXKYZJKSQRSEFQ-UHFFFAOYSA-N -1 3 241.172 2.343 20 0 BEADHM Cc1ncc(Nc2cc(C(=O)[O-])ccc2C)n1C ZINC001174981774 977221443 /nfs/dbraw/zinc/22/14/43/977221443.db2.gz HWRRSYZGOYCMKU-UHFFFAOYSA-N -1 3 245.282 2.479 20 0 BEADHM [O-]c1cc(F)c(Nc2ncco2)c(F)c1 ZINC001175094706 977271537 /nfs/dbraw/zinc/27/15/37/977271537.db2.gz NBGVWIYBIDTZDX-UHFFFAOYSA-N -1 3 212.155 2.402 20 0 BEADHM C[C@@H](Oc1nc(=O)[n-]c2c1SCC2)C1CC1 ZINC001230790810 977336727 /nfs/dbraw/zinc/33/67/27/977336727.db2.gz VENCSAXXSUVUBA-ZCFIWIBFSA-N -1 3 238.312 2.008 20 0 BEADHM [O-]c1ccc(F)c(Nc2ccon2)c1F ZINC001175260835 977359133 /nfs/dbraw/zinc/35/91/33/977359133.db2.gz CPEDCJJNDZNQPE-UHFFFAOYSA-N -1 3 212.155 2.402 20 0 BEADHM Cc1nnc([N-]c2ccc3c(cnn3C)c2)o1 ZINC001175417758 977426220 /nfs/dbraw/zinc/42/62/20/977426220.db2.gz NBVCZYNELMJRQR-UHFFFAOYSA-N -1 3 229.243 2.008 20 0 BEADHM C[C@H]1CC[C@@H](Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001231074525 977461966 /nfs/dbraw/zinc/46/19/66/977461966.db2.gz UTNUPRIMIUHHQQ-JOYOIKCWSA-N -1 3 244.298 2.434 20 0 BEADHM C[C@H]1CCC[C@@H]1Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231075169 977466040 /nfs/dbraw/zinc/46/60/40/977466040.db2.gz XTJDEGHQXBMPEB-CABZTGNLSA-N -1 3 244.298 2.434 20 0 BEADHM CC(C)[C@@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118982 977483666 /nfs/dbraw/zinc/48/36/66/977483666.db2.gz XPOCCQRTHMGJBE-SECBINFHSA-N -1 3 232.287 2.290 20 0 BEADHM CC(C)[C@@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118982 977483674 /nfs/dbraw/zinc/48/36/74/977483674.db2.gz XPOCCQRTHMGJBE-SECBINFHSA-N -1 3 232.287 2.290 20 0 BEADHM Cc1nnc([N-]c2ccc3[nH]nc(C)c3c2)o1 ZINC001175692955 977623936 /nfs/dbraw/zinc/62/39/36/977623936.db2.gz SFGDWHCTRGEWHE-UHFFFAOYSA-N -1 3 229.243 2.306 20 0 BEADHM CSc1ccc(Nc2cnc[n-]c2=O)cn1 ZINC001175654082 977635404 /nfs/dbraw/zinc/63/54/04/977635404.db2.gz DOMXWHWNFGSUAB-UHFFFAOYSA-N -1 3 234.284 2.043 20 0 BEADHM CC1CCC(C)(C(=O)[N-]OC(C)(C)CO)CC1 ZINC001336506626 977729656 /nfs/dbraw/zinc/72/96/56/977729656.db2.gz SSZVHHDXXZOYSG-UHFFFAOYSA-N -1 3 243.347 2.022 20 0 BEADHM Cc1cc(Nc2cnc[n-]c2=O)cc(C)c1N ZINC001175932376 977819954 /nfs/dbraw/zinc/81/99/54/977819954.db2.gz KKDXFWFDAXUBGH-UHFFFAOYSA-N -1 3 230.271 2.125 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2CCC[C@@H](F)C2)n1 ZINC001336681224 977850267 /nfs/dbraw/zinc/85/02/67/977850267.db2.gz YMUKUHOCIWQNDR-RKDXNWHRSA-N -1 3 225.267 2.183 20 0 BEADHM Cc1nc(=Nc2cc(C)nc(C)c2)s[n-]1 ZINC001176053340 977899303 /nfs/dbraw/zinc/89/93/03/977899303.db2.gz YYGCNFWKLQHSTP-UHFFFAOYSA-N -1 3 220.301 2.024 20 0 BEADHM CS[C@H]1CC[C@H](Nc2nc(C)cc(=O)[n-]2)C1 ZINC001337048214 978144886 /nfs/dbraw/zinc/14/48/86/978144886.db2.gz CABDAFLWRMLILC-IUCAKERBSA-N -1 3 239.344 2.187 20 0 BEADHM CCOc1cc([N-]c2cnns2)c(F)cn1 ZINC001176599356 978145039 /nfs/dbraw/zinc/14/50/39/978145039.db2.gz FYIHYYHOFSLLIG-UHFFFAOYSA-N -1 3 240.263 2.215 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@H]2CCCC(F)(F)C2)n1 ZINC001337074521 978155000 /nfs/dbraw/zinc/15/50/00/978155000.db2.gz VXRYYTBKQDUSFF-QMMMGPOBSA-N -1 3 243.257 2.480 20 0 BEADHM CCOCCO[N-]C(=O)C12CCC(CC1)CC2 ZINC001337227282 978233560 /nfs/dbraw/zinc/23/35/60/978233560.db2.gz CDRFJTPUJHRWRT-UHFFFAOYSA-N -1 3 241.331 2.041 20 0 BEADHM [O-]c1cc(CN2CCCC2)cc(F)c1F ZINC001232969515 978365843 /nfs/dbraw/zinc/36/58/43/978365843.db2.gz RGKQRFMLUYVYFV-UHFFFAOYSA-N -1 3 213.227 2.266 20 0 BEADHM CO[C@H]1CCCN(Cc2cccc([O-])c2F)C1 ZINC001233050021 978440633 /nfs/dbraw/zinc/44/06/33/978440633.db2.gz LDUMUZDRDRSLDH-NSHDSACASA-N -1 3 239.290 2.142 20 0 BEADHM C[C@@H]1CN(Cc2cccc([O-])c2F)C[C@H](C)O1 ZINC001233049607 978440888 /nfs/dbraw/zinc/44/08/88/978440888.db2.gz RKRABCGGEBALPN-AOOOYVTPSA-N -1 3 239.290 2.141 20 0 BEADHM CN(Cc1ccon1)Cc1cccc([O-])c1F ZINC001233058287 978454179 /nfs/dbraw/zinc/45/41/79/978454179.db2.gz VVACCVJRVNHNBH-UHFFFAOYSA-N -1 3 236.246 2.151 20 0 BEADHM CCOC(=O)[C@H](C)c1ccc(F)c([O-])c1 ZINC001249855164 978486275 /nfs/dbraw/zinc/48/62/75/978486275.db2.gz AAFQFDGNMXSWSC-SSDOTTSWSA-N -1 3 212.220 2.198 20 0 BEADHM [S-]c1ccc(CN2CC3(C2)CCOC3)cc1 ZINC001233258777 978515451 /nfs/dbraw/zinc/51/54/51/978515451.db2.gz SVHYEOBTXLLGMB-UHFFFAOYSA-N -1 3 235.352 2.198 20 0 BEADHM Cc1cc(=O)[n-]c(NCC(C)(C)C(F)(F)F)n1 ZINC001337867879 978540111 /nfs/dbraw/zinc/54/01/11/978540111.db2.gz NVSSIHYFFGKSIO-UHFFFAOYSA-N -1 3 249.236 2.491 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@H](C)CC(F)(F)F)n1 ZINC001337932681 978568395 /nfs/dbraw/zinc/56/83/95/978568395.db2.gz RZMAULAMJBZTIU-ZCFIWIBFSA-N -1 3 235.209 2.243 20 0 BEADHM C/C=C(C)/C=C/C(=O)Nc1ncccc1[O-] ZINC001178506552 978576766 /nfs/dbraw/zinc/57/67/66/978576766.db2.gz AJPCICXXUMFVJX-AZILEBSASA-N -1 3 218.256 2.248 20 0 BEADHM Cc1cc(CNc2nc(C)cc(=O)[n-]2)cc(C)n1 ZINC001338026834 978590553 /nfs/dbraw/zinc/59/05/53/978590553.db2.gz NJYNOYSZGNXBFL-UHFFFAOYSA-N -1 3 244.298 2.115 20 0 BEADHM COc1ccc(CN(C)C)c(Cl)c1[O-] ZINC001233397111 978598436 /nfs/dbraw/zinc/59/84/36/978598436.db2.gz LIOLUZWSCYHOQP-UHFFFAOYSA-N -1 3 215.680 2.116 20 0 BEADHM Cc1c(C(=O)[O-])cc(CN2CCCCC2)n1C ZINC001599984754 978659785 /nfs/dbraw/zinc/65/97/85/978659785.db2.gz BKDABUYZJKPAGG-UHFFFAOYSA-N -1 3 236.315 2.018 20 0 BEADHM Cc1c(C(=O)[O-])cc(CN2[C@H](C)C[C@@H]2C)n1C ZINC001599987032 978660018 /nfs/dbraw/zinc/66/00/18/978660018.db2.gz NRHFVWYWSITMIH-DTORHVGOSA-N -1 3 236.315 2.014 20 0 BEADHM Cc1c(C(=O)[O-])cc(CN2CC[C@H]2C2CC2)n1C ZINC001599986274 978660411 /nfs/dbraw/zinc/66/04/11/978660411.db2.gz ZNGDSJSUTIGMQT-ZDUSSCGKSA-N -1 3 248.326 2.016 20 0 BEADHM Cc1cccc(CNCc2ccc(C(=O)[O-])[nH]2)c1 ZINC001600532205 978700236 /nfs/dbraw/zinc/70/02/36/978700236.db2.gz JXIVNPLUJISQHA-UHFFFAOYSA-N -1 3 244.294 2.311 20 0 BEADHM [O-]c1cccc(O[C@@H]2CCn3ccnc32)c1F ZINC001233868089 978717128 /nfs/dbraw/zinc/71/71/28/978717128.db2.gz MRSKWIMAXSZXCT-SNVBAGLBSA-N -1 3 234.230 2.252 20 0 BEADHM O=C1CCC(Oc2cccc([O-])c2F)CC1 ZINC001233867701 978717534 /nfs/dbraw/zinc/71/75/34/978717534.db2.gz IDGFSJANHAMQBY-UHFFFAOYSA-N -1 3 224.231 2.422 20 0 BEADHM CCCOC(=O)[C@H](C)Oc1cccc([O-])c1F ZINC001233870561 978718913 /nfs/dbraw/zinc/71/89/13/978718913.db2.gz FVFSHOBDVNWIFF-QMMMGPOBSA-N -1 3 242.246 2.252 20 0 BEADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@H]1C1CC1 ZINC001600827406 978738623 /nfs/dbraw/zinc/73/86/23/978738623.db2.gz AZRZNGYLJHTSHI-NSHDSACASA-N -1 3 235.283 2.271 20 0 BEADHM O=C(Nc1cncc([O-])c1)[C@H](F)c1ccccc1 ZINC001180140699 978818127 /nfs/dbraw/zinc/81/81/27/978818127.db2.gz CFWJFJACYIONCG-GFCCVEGCSA-N -1 3 246.241 2.437 20 0 BEADHM C=C(F)C(=O)Nc1c([O-])cccc1C(C)=O ZINC001180115616 978822953 /nfs/dbraw/zinc/82/29/53/978822953.db2.gz FFYSZXBOTMCRML-UHFFFAOYSA-N -1 3 223.203 2.017 20 0 BEADHM C=C(F)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001180116318 978823828 /nfs/dbraw/zinc/82/38/28/978823828.db2.gz QRKLBOBRTFAIMJ-UHFFFAOYSA-N -1 3 215.611 2.467 20 0 BEADHM CC(C)OCCOc1nc2c(cccc2[O-])[nH]1 ZINC001234448022 978838517 /nfs/dbraw/zinc/83/85/17/978838517.db2.gz SKTSGKAVWCFJOD-UHFFFAOYSA-N -1 3 236.271 2.072 20 0 BEADHM C[C@H]1CC[C@@H](COc2nc3c(cccc3[O-])[nH]2)O1 ZINC001234448854 978839973 /nfs/dbraw/zinc/83/99/73/978839973.db2.gz CTJRLCQSWUOBBU-IUCAKERBSA-N -1 3 248.282 2.215 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@@H](C)c2ccccn2)n1 ZINC001339769043 978908010 /nfs/dbraw/zinc/90/80/10/978908010.db2.gz FEKIPVISWVOVDL-SECBINFHSA-N -1 3 244.298 2.101 20 0 BEADHM O=C([O-])c1cc(CNCc2cccs2)c[nH]1 ZINC001602261148 979100269 /nfs/dbraw/zinc/10/02/69/979100269.db2.gz MHANMXIXJBLUAZ-UHFFFAOYSA-N -1 3 236.296 2.064 20 0 BEADHM [O-]c1cc(Cl)cc(-c2ncnc3[nH]cnc32)c1 ZINC001235898776 979190519 /nfs/dbraw/zinc/19/05/19/979190519.db2.gz CLJXCRUVXXCZAH-UHFFFAOYSA-N -1 3 246.657 2.379 20 0 BEADHM [O-]c1cc(Cl)cc(-c2nccn3ncnc23)c1 ZINC001235903621 979195946 /nfs/dbraw/zinc/19/59/46/979195946.db2.gz DRVLZKBOJBJMAQ-UHFFFAOYSA-N -1 3 246.657 2.150 20 0 BEADHM Cn1cnc(-c2cc([O-])cc(Cl)c2)c1 ZINC001235903828 979198003 /nfs/dbraw/zinc/19/80/03/979198003.db2.gz IIXBETJHXFQIBB-UHFFFAOYSA-N -1 3 208.648 2.446 20 0 BEADHM C/C(=C\C(=O)[O-])CN1CCC[C@H]1c1ccccn1 ZINC001602958733 979337679 /nfs/dbraw/zinc/33/76/79/979337679.db2.gz XIMKUWOZMXVOPK-STRFDMGBSA-N -1 3 246.310 2.249 20 0 BEADHM CC(C)(F)CNCc1ccsc1C(=O)[O-] ZINC001603666980 979494738 /nfs/dbraw/zinc/49/47/38/979494738.db2.gz FNWPFWNEKCUEDO-UHFFFAOYSA-N -1 3 231.292 2.284 20 0 BEADHM CC[C@@H](C)CCNc1cnccc1-c1nnn[n-]1 ZINC001604005770 979555926 /nfs/dbraw/zinc/55/59/26/979555926.db2.gz TWDDPMBTNGPAPE-SECBINFHSA-N -1 3 246.318 2.110 20 0 BEADHM CC[C@@H](C)CCNc1cnccc1-c1nn[n-]n1 ZINC001604005770 979555934 /nfs/dbraw/zinc/55/59/34/979555934.db2.gz TWDDPMBTNGPAPE-SECBINFHSA-N -1 3 246.318 2.110 20 0 BEADHM CCC(CC)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001604027434 979559583 /nfs/dbraw/zinc/55/95/83/979559583.db2.gz FBQJDWGZSWRHQT-UHFFFAOYSA-N -1 3 246.318 2.171 20 0 BEADHM CCC(CC)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001604027434 979559593 /nfs/dbraw/zinc/55/95/93/979559593.db2.gz FBQJDWGZSWRHQT-UHFFFAOYSA-N -1 3 246.318 2.171 20 0 BEADHM CC/C=C\CNc1cc(F)ccc1-c1nnn[n-]1 ZINC001604120660 979579375 /nfs/dbraw/zinc/57/93/75/979579375.db2.gz WLHAJRPWZIKLMC-ARJAWSKDSA-N -1 3 247.277 2.384 20 0 BEADHM CC/C=C\CNc1cc(F)ccc1-c1nn[n-]n1 ZINC001604120660 979579379 /nfs/dbraw/zinc/57/93/79/979579379.db2.gz WLHAJRPWZIKLMC-ARJAWSKDSA-N -1 3 247.277 2.384 20 0 BEADHM CC1=C[C@@H](C)CN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001604615450 979682976 /nfs/dbraw/zinc/68/29/76/979682976.db2.gz NEFXAUHHDRKVEH-SECBINFHSA-N -1 3 234.299 2.111 20 0 BEADHM CC[C@@H]1COCCN1Cc1ccc(F)c([O-])c1 ZINC001236711987 979704113 /nfs/dbraw/zinc/70/41/13/979704113.db2.gz YNWGAZBIPJMDII-LLVKDONJSA-N -1 3 239.290 2.142 20 0 BEADHM CN(Cc1ccon1)Cc1ccc(F)c([O-])c1 ZINC001236710658 979707879 /nfs/dbraw/zinc/70/78/79/979707879.db2.gz OATYQISUJGKKEN-UHFFFAOYSA-N -1 3 236.246 2.151 20 0 BEADHM CC[C@H](C)[N-]C(=O)C(F)(F)OCC(F)(F)F ZINC001183194537 979760110 /nfs/dbraw/zinc/76/01/10/979760110.db2.gz JYBGPJFODODJHB-YFKPBYRVSA-N -1 3 249.179 2.073 20 0 BEADHM [S-]c1ccoc1CN1CCn2cccc2C1 ZINC001237177220 979827480 /nfs/dbraw/zinc/82/74/80/979827480.db2.gz AGHPSEAQXUNIHO-UHFFFAOYSA-N -1 3 234.324 2.386 20 0 BEADHM C[C@H]1CC(=O)CCN1Cc1cc([O-])cc(F)c1 ZINC001237276792 979859170 /nfs/dbraw/zinc/85/91/70/979859170.db2.gz IJWWSTSGRQCKRR-VIFPVBQESA-N -1 3 237.274 2.085 20 0 BEADHM Cc1cc(-c2nn[n-]n2)ccc1NCC(C)C ZINC001605543102 979890360 /nfs/dbraw/zinc/89/03/60/979890360.db2.gz JQQFQGNHUYOIAZ-UHFFFAOYSA-N -1 3 231.303 2.243 20 0 BEADHM CC(=O)[C@H](C)CC(=O)Nc1ccc(F)c([O-])c1 ZINC001184336644 980045318 /nfs/dbraw/zinc/04/53/18/980045318.db2.gz CCCWKFABEWRDSG-SSDOTTSWSA-N -1 3 239.246 2.085 20 0 BEADHM Cc1cc(C)nc(N[C@@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001607632298 980120847 /nfs/dbraw/zinc/12/08/47/980120847.db2.gz ISUBHDULWUHWGY-GHMZBOCLSA-N -1 3 234.299 2.364 20 0 BEADHM CC(=O)CC(C)(C)CC(=O)[N-]OC(C)(C)C ZINC001343489317 980127623 /nfs/dbraw/zinc/12/76/23/980127623.db2.gz GKLMVXCPJXCWRL-UHFFFAOYSA-N -1 3 229.320 2.228 20 0 BEADHM c1nocc1[N-]c1ncc2ccccc2n1 ZINC001203231290 980154512 /nfs/dbraw/zinc/15/45/12/980154512.db2.gz GGLVMPJRJXNYQA-UHFFFAOYSA-N -1 3 212.212 2.361 20 0 BEADHM O=C([O-])/C=C/c1ccc(CN2CC(C3CC3)C2)o1 ZINC001608658681 980257459 /nfs/dbraw/zinc/25/74/59/980257459.db2.gz BIQIPICMGZUSDF-AATRIKPKSA-N -1 3 247.294 2.219 20 0 BEADHM COCCCCC(=O)Nc1ccc(F)c([O-])c1 ZINC001185621531 980264916 /nfs/dbraw/zinc/26/49/16/980264916.db2.gz NIWUKHCEAVBOPR-UHFFFAOYSA-N -1 3 241.262 2.287 20 0 BEADHM CC(=O)c1cccc(NC(=O)NCC2CC2)c1[O-] ZINC001186613080 980413168 /nfs/dbraw/zinc/41/31/68/980413168.db2.gz IIPQDWLCWUMCPO-UHFFFAOYSA-N -1 3 248.282 2.126 20 0 BEADHM O=C(NCC1CC1)Nc1ccc(F)c([O-])c1 ZINC001186611119 980413230 /nfs/dbraw/zinc/41/32/30/980413230.db2.gz CGJOAHBUOOZLCE-UHFFFAOYSA-N -1 3 224.235 2.063 20 0 BEADHM Cc1cc(C)nc(C(=O)Nc2cncc([O-])c2)c1 ZINC001188135830 980602829 /nfs/dbraw/zinc/60/28/29/980602829.db2.gz PQSLEFBSDOQRSU-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM O=C(OCCF)c1cccc(Cl)c1[O-] ZINC001345488536 980618277 /nfs/dbraw/zinc/61/82/77/980618277.db2.gz SWDBUVZWNHSJRV-UHFFFAOYSA-N -1 3 218.611 2.172 20 0 BEADHM CC/C=C/NC(=O)c1c(C)cccc1[O-] ZINC001188658720 980679736 /nfs/dbraw/zinc/67/97/36/980679736.db2.gz FUOQNTOREWHQMG-XBXARRHUSA-N -1 3 205.257 2.354 20 0 BEADHM O=S(=O)(CC1CC1)[N-]c1cc(F)ccc1F ZINC001188927433 980718866 /nfs/dbraw/zinc/71/88/66/980718866.db2.gz VLKGGYWDZLWVNT-UHFFFAOYSA-N -1 3 247.266 2.117 20 0 BEADHM Cc1ccc(-c2ccncc2)cc1-c1nnn[n-]1 ZINC001239612840 980810737 /nfs/dbraw/zinc/81/07/37/980810737.db2.gz YSTZSXSCNAKPEO-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1ccc(-c2ccncc2)cc1-c1nn[n-]n1 ZINC001239612840 980810738 /nfs/dbraw/zinc/81/07/38/980810738.db2.gz YSTZSXSCNAKPEO-UHFFFAOYSA-N -1 3 237.266 2.237 20 0 BEADHM Cc1cc(Cc2cccc([O-])c2F)on1 ZINC001250363401 980858151 /nfs/dbraw/zinc/85/81/51/980858151.db2.gz NKAAADNWOGOKRX-UHFFFAOYSA-N -1 3 207.204 2.419 20 0 BEADHM CCc1nc(OC)ccc1-c1ccc(=S)[n-]n1 ZINC001239768198 980906814 /nfs/dbraw/zinc/90/68/14/980906814.db2.gz PAPFCOGPCOLRBN-UHFFFAOYSA-N -1 3 247.323 2.398 20 0 BEADHM Cc1cnc(C)c(-c2ccc(=S)[n-]n2)c1 ZINC001239898538 981025006 /nfs/dbraw/zinc/02/50/06/981025006.db2.gz KRTZIWDZJIVYPA-UHFFFAOYSA-N -1 3 217.297 2.444 20 0 BEADHM CC[C@@H]1CCN1Cc1csc(C(=O)[O-])c1 ZINC001595468373 981162099 /nfs/dbraw/zinc/16/20/99/981162099.db2.gz UONANVBHWTUQAG-SECBINFHSA-N -1 3 225.313 2.431 20 0 BEADHM CSc1ccc(C(=O)[N-]c2nnco2)s1 ZINC001192635758 981177973 /nfs/dbraw/zinc/17/79/73/981177973.db2.gz KTGZLSDZUQADPA-UHFFFAOYSA-N -1 3 241.297 2.105 20 0 BEADHM CC(C)O[N-]C(=O)C[C@]1(C)CC1(Cl)Cl ZINC001347998450 981239175 /nfs/dbraw/zinc/23/91/75/981239175.db2.gz LVJCORWZVFFHNP-MRVPVSSYSA-N -1 3 240.130 2.417 20 0 BEADHM Cc1c[nH]c(C)c1C(=O)Nc1nc(C)ccc1[O-] ZINC001193346982 981294791 /nfs/dbraw/zinc/29/47/91/981294791.db2.gz BAEGDDVIKZQJCD-UHFFFAOYSA-N -1 3 245.282 2.293 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCCC3(CC3)CC2)n1 ZINC001348268882 981320891 /nfs/dbraw/zinc/32/08/91/981320891.db2.gz BBCAKLOZBRGSIG-UHFFFAOYSA-N -1 3 233.315 2.261 20 0 BEADHM S=C1Cc2ccc(-c3cncnc3)cc2[N-]1 ZINC001240378607 981334047 /nfs/dbraw/zinc/33/40/47/981334047.db2.gz HVKLBTSOUDPJMQ-UHFFFAOYSA-N -1 3 227.292 2.439 20 0 BEADHM O=C(Nc1cncc([O-])c1)OC1CCCC1 ZINC001193528688 981372742 /nfs/dbraw/zinc/37/27/42/981372742.db2.gz KMBCYKYVLVTLKN-UHFFFAOYSA-N -1 3 222.244 2.278 20 0 BEADHM Cc1ccc([O-])c(NC(=O)OCC(C)C)n1 ZINC001193802208 981452188 /nfs/dbraw/zinc/45/21/88/981452188.db2.gz QQYCOMIDNXKXHJ-UHFFFAOYSA-N -1 3 224.260 2.300 20 0 BEADHM COC(=O)N=c1[nH]c2c(cccc2[O-])s1 ZINC001193873156 981489733 /nfs/dbraw/zinc/48/97/33/981489733.db2.gz WRQPOHMGBBVDLY-UHFFFAOYSA-N -1 3 224.241 2.180 20 0 BEADHM COC(=O)Nc1cc([O-])cc(Cl)c1 ZINC001193912770 981513493 /nfs/dbraw/zinc/51/34/93/981513493.db2.gz MLBLFRAOTBVZGS-UHFFFAOYSA-N -1 3 201.609 2.224 20 0 BEADHM COCc1cc(-c2ccc([O-])c(F)c2)ncn1 ZINC001240783771 981822635 /nfs/dbraw/zinc/82/26/35/981822635.db2.gz WXZNZCHEQCGGTL-UHFFFAOYSA-N -1 3 234.230 2.135 20 0 BEADHM Nc1cnccc1-c1ccc([O-])c(F)c1 ZINC001240786095 981828087 /nfs/dbraw/zinc/82/80/87/981828087.db2.gz LMNFBTRDUKKVHC-UHFFFAOYSA-N -1 3 204.204 2.176 20 0 BEADHM Cc1cc(C(N)=O)cc(-c2ccc([O-])c(F)c2)n1 ZINC001240786041 981829443 /nfs/dbraw/zinc/82/94/43/981829443.db2.gz IXWYSSKGTGFICY-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM O=c1cc2[nH]cc(-c3ccc([O-])c(F)c3)cc-2[nH]1 ZINC001240787132 981832926 /nfs/dbraw/zinc/83/29/26/981832926.db2.gz NAQHKZZIHUUDBX-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM CCC(CC)COC(=O)Nc1cnc[n-]c1=O ZINC001194685438 981855461 /nfs/dbraw/zinc/85/54/61/981855461.db2.gz SRXQXPSPHDONIJ-UHFFFAOYSA-N -1 3 239.275 2.167 20 0 BEADHM CC[C@@H](C)COC(=O)Nc1cncc([O-])c1 ZINC001194763271 981892761 /nfs/dbraw/zinc/89/27/61/981892761.db2.gz KYQZTDVRKZCORF-MRVPVSSYSA-N -1 3 224.260 2.382 20 0 BEADHM COc1cccc(-c2ccccc2[O-])n1 ZINC001241002229 982088744 /nfs/dbraw/zinc/08/87/44/982088744.db2.gz XIMBRAXOSQLXQQ-UHFFFAOYSA-N -1 3 201.225 2.463 20 0 BEADHM [O-]c1ccccc1-c1ccc(OC(F)F)nn1 ZINC001241008945 982099723 /nfs/dbraw/zinc/09/97/23/982099723.db2.gz ORVJUJSELBRTLR-UHFFFAOYSA-N -1 3 238.193 2.451 20 0 BEADHM [O-]c1ccccc1-c1cc2nccc-2[n-][nH+]1 ZINC001241009459 982100302 /nfs/dbraw/zinc/10/03/02/982100302.db2.gz QOZIFGJVAONBMU-UHFFFAOYSA-N -1 3 211.224 2.331 20 0 BEADHM CC(C)[C@H](C)NC(=O)c1ccc(Cl)[n-]c1=O ZINC001195127443 982105641 /nfs/dbraw/zinc/10/56/41/982105641.db2.gz CYASXEORTADYLD-ZETCQYMHSA-N -1 3 242.706 2.215 20 0 BEADHM Cc1ccc(-c2nccc3n[nH]nc32)c([O-])c1 ZINC001241028277 982124093 /nfs/dbraw/zinc/12/40/93/982124093.db2.gz KVVDNRAITZLSBD-UHFFFAOYSA-N -1 3 226.239 2.034 20 0 BEADHM Cc1ccc(-c2nc(F)nc3[nH]cnc32)c([O-])c1 ZINC001241028929 982124553 /nfs/dbraw/zinc/12/45/53/982124553.db2.gz ZAQVXVRQHQDLNG-UHFFFAOYSA-N -1 3 244.229 2.125 20 0 BEADHM CC(=O)Nc1cncc(-c2ccc(C)cc2[O-])n1 ZINC001241035889 982137226 /nfs/dbraw/zinc/13/72/26/982137226.db2.gz IEKWMYJNFGLJBW-UHFFFAOYSA-N -1 3 243.266 2.116 20 0 BEADHM Cc1ccc(-c2nccc(C(N)=O)c2F)c([O-])c1 ZINC001241036078 982139326 /nfs/dbraw/zinc/13/93/26/982139326.db2.gz NZYZSNFOONJIFK-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM Cn1cnc2c1ccnc2-c1cc([O-])cc(F)c1 ZINC001241258320 982393903 /nfs/dbraw/zinc/39/39/03/982393903.db2.gz YSNPKYZRQUEBAF-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM COCc1cc(-c2cc([O-])cc(F)c2)nc(C)n1 ZINC001241256419 982395383 /nfs/dbraw/zinc/39/53/83/982395383.db2.gz VDURDESLDPNKTM-UHFFFAOYSA-N -1 3 248.257 2.443 20 0 BEADHM Cc1ccc(-c2cc([O-])cc(F)c2)nc1N ZINC001241262554 982401171 /nfs/dbraw/zinc/40/11/71/982401171.db2.gz OHCUKZZQTSVWGY-UHFFFAOYSA-N -1 3 218.231 2.484 20 0 BEADHM COC(=O)c1cc(-c2cc([O-])cc(F)c2)ccn1 ZINC001241266558 982403247 /nfs/dbraw/zinc/40/32/47/982403247.db2.gz MMAIZTFOTFJSRB-UHFFFAOYSA-N -1 3 247.225 2.380 20 0 BEADHM [O-]c1cc(F)cc(-c2cncc3nccn32)c1 ZINC001241272810 982405711 /nfs/dbraw/zinc/40/57/11/982405711.db2.gz ZNMJUOMVUYXOFK-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM NC(=O)Cc1ccccc1-c1cc([O-])cc(F)c1 ZINC001241278205 982411564 /nfs/dbraw/zinc/41/15/64/982411564.db2.gz XBIHIZOLGPTFGN-UHFFFAOYSA-N -1 3 245.253 2.226 20 0 BEADHM NC(=O)c1ccc(F)cc1-c1cc([O-])cc(F)c1 ZINC001241280720 982418247 /nfs/dbraw/zinc/41/82/47/982418247.db2.gz SWGOJOAOTRMEKM-UHFFFAOYSA-N -1 3 249.216 2.436 20 0 BEADHM [O-]c1ccc(F)c(-c2cccc3ncnn32)c1F ZINC001241292444 982431322 /nfs/dbraw/zinc/43/13/22/982431322.db2.gz FMQZPJFYZDVHKU-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM Nc1cc(-c2c(F)ccc([O-])c2F)ccn1 ZINC001241292750 982433421 /nfs/dbraw/zinc/43/34/21/982433421.db2.gz JTWJVXSOFCTIFN-UHFFFAOYSA-N -1 3 222.194 2.315 20 0 BEADHM [O-]c1ccc(F)c(-c2cncc3nnoc32)c1F ZINC001241295283 982439942 /nfs/dbraw/zinc/43/99/42/982439942.db2.gz MKTAEPVEATVIBE-UHFFFAOYSA-N -1 3 249.176 2.269 20 0 BEADHM S=c1ccc(-c2cnc3cccnc3c2)n[n-]1 ZINC001241383530 982542696 /nfs/dbraw/zinc/54/26/96/982542696.db2.gz RWZGCMNUEHLZAV-UHFFFAOYSA-N -1 3 240.291 2.376 20 0 BEADHM CC[C@@H](O)CNc1cccc([O-])c1Cl ZINC001251790736 982700006 /nfs/dbraw/zinc/70/00/06/982700006.db2.gz GILYYRUFDNLHEM-SSDOTTSWSA-N -1 3 215.680 2.228 20 0 BEADHM C=CS(=O)(=O)[N-]c1cc(Cl)ccc1OC ZINC001198556572 982782495 /nfs/dbraw/zinc/78/24/95/982782495.db2.gz XRGQDFNMINDZCY-UHFFFAOYSA-N -1 3 247.703 2.234 20 0 BEADHM C[C@@H]1C[C@H]1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590217567 982897096 /nfs/dbraw/zinc/89/70/96/982897096.db2.gz CTEFIVAGHIGTOJ-SFYZADRCSA-N -1 3 248.261 2.041 20 0 BEADHM C[C@@H]1C[C@H]1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590217567 982897104 /nfs/dbraw/zinc/89/71/04/982897104.db2.gz CTEFIVAGHIGTOJ-SFYZADRCSA-N -1 3 248.261 2.041 20 0 BEADHM CC/C=C\CNc1cccc(F)c1-c1nnn[n-]1 ZINC001590532922 982952082 /nfs/dbraw/zinc/95/20/82/982952082.db2.gz XIAYSVSUTLMEFC-ARJAWSKDSA-N -1 3 247.277 2.384 20 0 BEADHM CC/C=C\CNc1cccc(F)c1-c1nn[n-]n1 ZINC001590532922 982952086 /nfs/dbraw/zinc/95/20/86/982952086.db2.gz XIAYSVSUTLMEFC-ARJAWSKDSA-N -1 3 247.277 2.384 20 0 BEADHM CC[C@@H]1CC[C@@H]1Nc1cccc(-c2nnn[n-]2)c1 ZINC001590507719 982953129 /nfs/dbraw/zinc/95/31/29/982953129.db2.gz GLAVRTMTJCGTIT-SKDRFNHKSA-N -1 3 243.314 2.467 20 0 BEADHM CC[C@@H]1CC[C@@H]1Nc1cccc(-c2nn[n-]n2)c1 ZINC001590507719 982953141 /nfs/dbraw/zinc/95/31/41/982953141.db2.gz GLAVRTMTJCGTIT-SKDRFNHKSA-N -1 3 243.314 2.467 20 0 BEADHM Nc1ccnc(-c2cc(F)cc(C(=O)[O-])c2)c1 ZINC001241813158 983074322 /nfs/dbraw/zinc/07/43/22/983074322.db2.gz NZGFMYKPFOPSNB-UHFFFAOYSA-N -1 3 232.214 2.168 20 0 BEADHM NCc1cc(-c2cc(F)cc(C(=O)[O-])c2)ccn1 ZINC001241833905 983078978 /nfs/dbraw/zinc/07/89/78/983078978.db2.gz JVBYTZYOKZHKGP-UHFFFAOYSA-N -1 3 246.241 2.045 20 0 BEADHM CC(C)(CCCNCc1nccs1)C(=O)[O-] ZINC001353944159 983094101 /nfs/dbraw/zinc/09/41/01/983094101.db2.gz BETXRRRCMVMJEZ-UHFFFAOYSA-N -1 3 242.344 2.124 20 0 BEADHM CC(C)c1ccc(CN[C@H](CF)C(=O)[O-])cc1 ZINC001591957412 983102532 /nfs/dbraw/zinc/10/25/32/983102532.db2.gz HQQCCQLIHPHOHK-GFCCVEGCSA-N -1 3 239.290 2.322 20 0 BEADHM Cc1cc(OC[C@@H]2C[C@H]2C)ccc1-c1nn[n-]n1 ZINC001592058782 983112266 /nfs/dbraw/zinc/11/22/66/983112266.db2.gz HAHDQAKVHGIBOU-SCZZXKLOSA-N -1 3 244.298 2.210 20 0 BEADHM Cc1cn(CC2=CCCC2)cc1-c1nnn[n-]1 ZINC001592287688 983135455 /nfs/dbraw/zinc/13/54/55/983135455.db2.gz ZWZIZQQSYRIEOG-UHFFFAOYSA-N -1 3 229.287 2.087 20 0 BEADHM Cc1cn(CC2=CCCC2)cc1-c1nn[n-]n1 ZINC001592287688 983135469 /nfs/dbraw/zinc/13/54/69/983135469.db2.gz ZWZIZQQSYRIEOG-UHFFFAOYSA-N -1 3 229.287 2.087 20 0 BEADHM Nc1ccc(Nc2cc([O-])c(F)cc2F)cn1 ZINC001201286894 983163644 /nfs/dbraw/zinc/16/36/44/983163644.db2.gz GOZOMMYFXZFGPO-UHFFFAOYSA-N -1 3 237.209 2.391 20 0 BEADHM Fc1ccc(-c2nnn[n-]2)c(N[C@@H]2C=CCC2)c1 ZINC001592644818 983189565 /nfs/dbraw/zinc/18/95/65/983189565.db2.gz QDIPATMURLLPHR-SECBINFHSA-N -1 3 245.261 2.136 20 0 BEADHM Fc1ccc(-c2nn[n-]n2)c(N[C@@H]2C=CCC2)c1 ZINC001592644818 983189568 /nfs/dbraw/zinc/18/95/68/983189568.db2.gz QDIPATMURLLPHR-SECBINFHSA-N -1 3 245.261 2.136 20 0 BEADHM Fc1ccc(-c2nnn[n-]2)c(N[C@H]2C=CCC2)c1 ZINC001592644819 983191297 /nfs/dbraw/zinc/19/12/97/983191297.db2.gz QDIPATMURLLPHR-VIFPVBQESA-N -1 3 245.261 2.136 20 0 BEADHM Fc1ccc(-c2nn[n-]n2)c(N[C@H]2C=CCC2)c1 ZINC001592644819 983191304 /nfs/dbraw/zinc/19/13/04/983191304.db2.gz QDIPATMURLLPHR-VIFPVBQESA-N -1 3 245.261 2.136 20 0 BEADHM S=C1Cc2ccc(-c3ncc[nH]3)cc2[N-]1 ZINC001242019848 983225271 /nfs/dbraw/zinc/22/52/71/983225271.db2.gz MCXLOBKCXJXBGY-UHFFFAOYSA-N -1 3 215.281 2.372 20 0 BEADHM c1csc(Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001593589294 983307533 /nfs/dbraw/zinc/30/75/33/983307533.db2.gz UMSKVMMSCHKOFZ-UHFFFAOYSA-N -1 3 245.267 2.116 20 0 BEADHM Cc1noc(C)c1-c1ccc(=S)[n-]n1 ZINC001242105715 983347544 /nfs/dbraw/zinc/34/75/44/983347544.db2.gz YSTIJBJSKLJTEU-UHFFFAOYSA-N -1 3 207.258 2.037 20 0 BEADHM Cc1noc(C)c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001242106780 983351263 /nfs/dbraw/zinc/35/12/63/983351263.db2.gz PBYPHFYBOAEPEQ-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM Cc1noc(C)c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001242106780 983351271 /nfs/dbraw/zinc/35/12/71/983351271.db2.gz PBYPHFYBOAEPEQ-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM [O-]c1cc(F)ccc1-c1ccn2ncnc2c1 ZINC001242217610 983415502 /nfs/dbraw/zinc/41/55/02/983415502.db2.gz GUNOCTUWICWDRT-UHFFFAOYSA-N -1 3 229.214 2.241 20 0 BEADHM Cn1cc(-c2ccc(F)cc2[O-])cc(F)c1=O ZINC001242219488 983422843 /nfs/dbraw/zinc/42/28/43/983422843.db2.gz HPBYLXYDBYJYAM-UHFFFAOYSA-N -1 3 237.205 2.036 20 0 BEADHM CC(C)(CNC(=O)c1ccc(N)cc1[O-])C1CC1 ZINC001355315958 983468760 /nfs/dbraw/zinc/46/87/60/983468760.db2.gz KPFPUDDQOKDLMI-UHFFFAOYSA-N -1 3 248.326 2.140 20 0 BEADHM C[C@H]1c2sccc2CCN1c1cc(=O)[n-]cn1 ZINC001355336749 983474751 /nfs/dbraw/zinc/47/47/51/983474751.db2.gz ZMEYGRRNXLBUTQ-QMMMGPOBSA-N -1 3 247.323 2.367 20 0 BEADHM COc1nccc(-c2cccc(F)c2[O-])c1N ZINC001242350695 983618497 /nfs/dbraw/zinc/61/84/97/983618497.db2.gz INHNSUDXEVYNKB-UHFFFAOYSA-N -1 3 234.230 2.184 20 0 BEADHM Cn1cnc2cc(-c3cccc(F)c3[O-])cnc21 ZINC001242351757 983623832 /nfs/dbraw/zinc/62/38/32/983623832.db2.gz RMUXMBNLWLSKOX-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM O=C1Cc2c(nccc2-c2cccc(F)c2[O-])N1 ZINC001242351640 983625562 /nfs/dbraw/zinc/62/55/62/983625562.db2.gz MNXPEBJSEHVSGT-UHFFFAOYSA-N -1 3 244.225 2.088 20 0 BEADHM FC(F)(F)n1cc(-c2ccc(=S)[n-]n2)cn1 ZINC001242462645 983791906 /nfs/dbraw/zinc/79/19/06/983791906.db2.gz JKURKVZAXBXAIC-UHFFFAOYSA-N -1 3 246.217 2.105 20 0 BEADHM CCN(CCSC)Cc1occc1C(=O)[O-] ZINC001596347148 983797168 /nfs/dbraw/zinc/79/71/68/983797168.db2.gz FGYGMWVHWWSQIL-UHFFFAOYSA-N -1 3 243.328 2.163 20 0 BEADHM CC(C)n1nccc1-c1ccc(=S)[n-]n1 ZINC001242556038 983878858 /nfs/dbraw/zinc/87/88/58/983878858.db2.gz NSZSTDUPGDBISL-UHFFFAOYSA-N -1 3 220.301 2.210 20 0 BEADHM CCC[C@H](O)CNc1ccnc(Cl)c1[O-] ZINC001252777434 983880598 /nfs/dbraw/zinc/88/05/98/983880598.db2.gz FFFVGOXOKVOVAH-ZETCQYMHSA-N -1 3 230.695 2.014 20 0 BEADHM C[C@H](O)c1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC001242643774 984008560 /nfs/dbraw/zinc/00/85/60/984008560.db2.gz MPPURVFGBAGTKP-QMMMGPOBSA-N -1 3 232.308 2.486 20 0 BEADHM O=c1cccc(Nc2ncc(Cl)cc2[O-])[nH]1 ZINC001212787631 984020796 /nfs/dbraw/zinc/02/07/96/984020796.db2.gz KMSMGGDLMOFNPL-UHFFFAOYSA-N -1 3 237.646 2.285 20 0 BEADHM S=c1ccc(-c2ccnc(OC3CC3)c2)n[n-]1 ZINC001242722486 984075677 /nfs/dbraw/zinc/07/56/77/984075677.db2.gz FHIAILIDWYOGPK-UHFFFAOYSA-N -1 3 245.307 2.369 20 0 BEADHM O=C(Nc1cncc([O-])c1)NC1CCCCC1 ZINC001202605194 984114831 /nfs/dbraw/zinc/11/48/31/984114831.db2.gz INZHNWONJNNLLE-UHFFFAOYSA-N -1 3 235.287 2.241 20 0 BEADHM Cc1cc(C)cc(-c2noc(-c3cnn[n-]3)n2)c1 ZINC001212799007 984157633 /nfs/dbraw/zinc/15/76/33/984157633.db2.gz DRNYBBGNHYMTPP-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM Cc1cc(C)cc(-c2noc(-c3c[n-]nn3)n2)c1 ZINC001212799007 984157637 /nfs/dbraw/zinc/15/76/37/984157637.db2.gz DRNYBBGNHYMTPP-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM Cc1cccc(-c2noc(-c3cnn[n-]3)n2)c1C ZINC001212798969 984159646 /nfs/dbraw/zinc/15/96/46/984159646.db2.gz CBEHHWIFGZCIRJ-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM Cc1cccc(-c2noc(-c3c[n-]nn3)n2)c1C ZINC001212798969 984159655 /nfs/dbraw/zinc/15/96/55/984159655.db2.gz CBEHHWIFGZCIRJ-UHFFFAOYSA-N -1 3 241.254 2.139 20 0 BEADHM Cc1cc(F)ncc1Nc1cc(=O)[n-]c(C)n1 ZINC001212812816 984224643 /nfs/dbraw/zinc/22/46/43/984224643.db2.gz OHECWGKENAJTBA-UHFFFAOYSA-N -1 3 234.234 2.077 20 0 BEADHM Cc1cnc(F)cc1Nc1cnc(C)[n-]c1=O ZINC001212849654 984284602 /nfs/dbraw/zinc/28/46/02/984284602.db2.gz CBUNYCIJGRFATA-UHFFFAOYSA-N -1 3 234.234 2.077 20 0 BEADHM Cc1cc(-c2ccc(F)c([O-])c2)cnc1C(N)=O ZINC001243045951 984387474 /nfs/dbraw/zinc/38/74/74/984387474.db2.gz COPNHGUBLNQGSX-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM Cc1cc(-c2ccc(F)c([O-])c2)n(C)n1 ZINC001243047578 984390016 /nfs/dbraw/zinc/39/00/16/984390016.db2.gz FFKVOJSTHDVUTL-UHFFFAOYSA-N -1 3 206.220 2.240 20 0 BEADHM [O-]c1cc(-c2cc3nc[nH]c3cn2)ccc1F ZINC001243048630 984396655 /nfs/dbraw/zinc/39/66/55/984396655.db2.gz MODBXURNJYFHPT-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM Cc1nc(-c2ccc(F)c([O-])c2)cc(N(C)C)n1 ZINC001243050342 984399656 /nfs/dbraw/zinc/39/96/56/984399656.db2.gz XKYBJXLJTBZYAL-UHFFFAOYSA-N -1 3 247.273 2.363 20 0 BEADHM CCOc1cncc(-c2ccc(F)c([O-])c2)n1 ZINC001243050185 984404283 /nfs/dbraw/zinc/40/42/83/984404283.db2.gz VISVYEDLCPYJHE-UHFFFAOYSA-N -1 3 234.230 2.387 20 0 BEADHM [O-]c1cc(-c2cncc3nnoc32)ccc1F ZINC001243052106 984413773 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BEADHM Cc1cc(-c2ccn(C)n2)cc([O-])c1F ZINC001244518354 986202754 /nfs/dbraw/zinc/20/27/54/986202754.db2.gz UIXDSABSAZQOHZ-UHFFFAOYSA-N -1 3 206.220 2.240 20 0 BEADHM Cc1cc(-c2ccc(N(C)C)nn2)cc([O-])c1F ZINC001244496899 986205131 /nfs/dbraw/zinc/20/51/31/986205131.db2.gz YAGZACLTGAQTBL-UHFFFAOYSA-N -1 3 247.273 2.363 20 0 BEADHM Cc1cc(-c2cccnn2)cc([O-])c1F ZINC001244496908 986207605 /nfs/dbraw/zinc/20/76/05/986207605.db2.gz YOGHTDFBZIXMQJ-UHFFFAOYSA-N -1 3 204.204 2.297 20 0 BEADHM Cc1cc(-c2ccc(=O)n(C)c2)cc([O-])c1F ZINC001244518985 986217636 /nfs/dbraw/zinc/21/76/36/986217636.db2.gz VOFZGCZSUSJNJS-UHFFFAOYSA-N -1 3 233.242 2.205 20 0 BEADHM Cc1cc(-c2cnccc2C(N)=O)cc([O-])c1F ZINC001244515259 986220535 /nfs/dbraw/zinc/22/05/35/986220535.db2.gz HLXHIGMLFSONAE-UHFFFAOYSA-N -1 3 246.241 2.001 20 0 BEADHM CCn1nc(-c2cc(C)c(F)c([O-])c2)ccc1=O ZINC001244525214 986227380 /nfs/dbraw/zinc/22/73/80/986227380.db2.gz MMAORFCKBRCMDY-UHFFFAOYSA-N -1 3 248.257 2.083 20 0 BEADHM CCCc1nnc(-c2cnc(C(F)(F)F)[n-]2)o1 ZINC001254008554 986462252 /nfs/dbraw/zinc/46/22/52/986462252.db2.gz YPQVXSWGJHXRKQ-UHFFFAOYSA-N -1 3 246.192 2.431 20 0 BEADHM CCCc1nnc(-c2c[n-]c(C(F)(F)F)n2)o1 ZINC001254008554 986462273 /nfs/dbraw/zinc/46/22/73/986462273.db2.gz YPQVXSWGJHXRKQ-UHFFFAOYSA-N -1 3 246.192 2.431 20 0 BEADHM CCCO[N-]C(=O)CC[C@@H]1CC1(Cl)Cl ZINC001261746655 986528821 /nfs/dbraw/zinc/52/88/21/986528821.db2.gz PQOKJOHKFPZJPC-SSDOTTSWSA-N -1 3 240.130 2.418 20 0 BEADHM [O-]c1ccc(-c2nccc3n[nH]nc32)c(Cl)c1 ZINC001245080716 986644720 /nfs/dbraw/zinc/64/47/20/986644720.db2.gz ODMXVUDFLHNFHV-UHFFFAOYSA-N -1 3 246.657 2.379 20 0 BEADHM [O-]c1cccc(F)c1-c1ccc(=S)[nH]n1 ZINC001245652623 987016110 /nfs/dbraw/zinc/01/61/10/987016110.db2.gz FQPUKRVBJIUJEL-UHFFFAOYSA-N -1 3 222.244 2.277 20 0 BEADHM Cn1cnc2cc(-c3c([O-])cccc3F)cnc21 ZINC001245652448 987019988 /nfs/dbraw/zinc/01/99/88/987019988.db2.gz AWBBOGNEEUBJLX-UHFFFAOYSA-N -1 3 243.241 2.480 20 0 BEADHM NC(=O)Cc1ccc(-c2c([O-])cccc2F)cc1 ZINC001245654723 987031542 /nfs/dbraw/zinc/03/15/42/987031542.db2.gz FZUWRSCJYFXSTP-UHFFFAOYSA-N -1 3 245.253 2.226 20 0 BEADHM [O-]c1cccc(F)c1-c1cc(F)cn2ncnc12 ZINC001245657432 987045816 /nfs/dbraw/zinc/04/58/16/987045816.db2.gz NFUVIZSVHKPLNA-UHFFFAOYSA-N -1 3 247.204 2.380 20 0 BEADHM CCc1[nH]c(CN2CC[C@H]3C[C@H]3C2)cc1C(=O)[O-] ZINC001597384340 987588365 /nfs/dbraw/zinc/58/83/65/987588365.db2.gz JWEVCKBLRSQRCD-UWVGGRQHSA-N -1 3 248.326 2.117 20 0 BEADHM O=C(CC(C1CC1)C1CC1)[N-]OCC1CC1 ZINC001117790692 987916020 /nfs/dbraw/zinc/91/60/20/987916020.db2.gz FPRPIFGHFFBLKG-UHFFFAOYSA-N -1 3 223.316 2.271 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)NC/C=C\C1CC1 ZINC001117803321 987932088 /nfs/dbraw/zinc/93/20/88/987932088.db2.gz HHGNZABVLYZANB-UPHRSURJSA-N -1 3 249.285 2.156 20 0 BEADHM CO[C@@H]1CCC[C@H](CC(=O)[N-]OC(C)C)C1 ZINC001117847819 987947939 /nfs/dbraw/zinc/94/79/39/987947939.db2.gz PBRFEDHOQVRXBX-WDEREUQCSA-N -1 3 229.320 2.038 20 0 BEADHM CO[C@H]1CCC[C@H](CC(=O)[N-]OC(C)C)C1 ZINC001117847818 987949651 /nfs/dbraw/zinc/94/96/51/987949651.db2.gz PBRFEDHOQVRXBX-QWRGUYRKSA-N -1 3 229.320 2.038 20 0 BEADHM CC[C@H](NCc1c(F)cc(C)cc1F)C(=O)[O-] ZINC001118149278 988057517 /nfs/dbraw/zinc/05/75/17/988057517.db2.gz BSVXZJQENDJGLL-NSHDSACASA-N -1 3 243.253 2.226 20 0 BEADHM C[C@@H](CC(=O)[N-]OC(C)(C)C)[C@@H]1CCCO1 ZINC001118827321 988624086 /nfs/dbraw/zinc/62/40/86/988624086.db2.gz KZTLTPCBFHNIBF-UWVGGRQHSA-N -1 3 229.320 2.038 20 0 BEADHM CC(C)O[N-]C(=O)CCCC1CCOCC1 ZINC001324671633 988922443 /nfs/dbraw/zinc/92/24/43/988922443.db2.gz GEAXSBVYSKHNJB-UHFFFAOYSA-N -1 3 229.320 2.040 20 0 BEADHM CS[C@H](C)CCC(=O)[N-]OC(C)(C)C ZINC001324858807 989005197 /nfs/dbraw/zinc/00/51/97/989005197.db2.gz XDZUZSYFLUWTQL-MRVPVSSYSA-N -1 3 219.350 2.364 20 0 BEADHM CC(C)c1noc(NC([O-])=NOC(C)(C)C)n1 ZINC001119386849 989029814 /nfs/dbraw/zinc/02/98/14/989029814.db2.gz VMTDRORQYHTHIY-UHFFFAOYSA-N -1 3 242.279 2.045 20 0 BEADHM CC(C)c1noc(NC(=O)[N-]OC(C)(C)C)n1 ZINC001119386849 989029831 /nfs/dbraw/zinc/02/98/31/989029831.db2.gz VMTDRORQYHTHIY-UHFFFAOYSA-N -1 3 242.279 2.045 20 0 BEADHM CCC1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001515372524 989034131 /nfs/dbraw/zinc/03/41/31/989034131.db2.gz XLZUHKFJMHWBFL-UHFFFAOYSA-N -1 3 221.304 2.117 20 0 BEADHM COc1c(C)cccc1[N-]c1nnc(C)o1 ZINC001248513557 989107256 /nfs/dbraw/zinc/10/72/56/989107256.db2.gz FIEHRHTVQKLYBR-UHFFFAOYSA-N -1 3 219.244 2.439 20 0 BEADHM CC(=O)OCc1cc([N-]c2nnco2)ccc1C ZINC001248560598 989119190 /nfs/dbraw/zinc/11/91/90/989119190.db2.gz FMPYFADWRSVVTD-UHFFFAOYSA-N -1 3 247.254 2.185 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@H](C)c2ncccc2C)n1 ZINC001516143794 989141923 /nfs/dbraw/zinc/14/19/23/989141923.db2.gz SYCGDSIMWFQQOO-SNVBAGLBSA-N -1 3 244.298 2.367 20 0 BEADHM CO[N-]C(=O)Cc1ccc(C2CCC2)cc1 ZINC001518850508 989345173 /nfs/dbraw/zinc/34/51/73/989345173.db2.gz GJRDSYFGPGFILS-UHFFFAOYSA-N -1 3 219.284 2.174 20 0 BEADHM CCOCCC1(C(=O)[N-]OC(C)C)CCC1 ZINC001326573099 989610252 /nfs/dbraw/zinc/61/02/52/989610252.db2.gz LCBBCAWIQCWIJZ-UHFFFAOYSA-N -1 3 229.320 2.040 20 0 BEADHM Cc1cc(=O)[n-]c(N2CCC[C@@H](C)CC2)n1 ZINC001120889525 989952994 /nfs/dbraw/zinc/95/29/94/989952994.db2.gz MATIIDQVPRYZBK-SECBINFHSA-N -1 3 221.304 2.117 20 0 BEADHM Cc1cc(=O)[n-]c(N2CC[C@H](c3ccco3)C2)n1 ZINC001120896944 989955948 /nfs/dbraw/zinc/95/59/48/989955948.db2.gz USBBVPWVMIFLNK-JTQLQIEISA-N -1 3 245.282 2.078 20 0 BEADHM Cc1cc(=O)[n-]c(NC[C@H](C)CC(F)(F)F)n1 ZINC001120942620 989980649 /nfs/dbraw/zinc/98/06/49/989980649.db2.gz ZZNCHWDGOCRMDQ-ZCFIWIBFSA-N -1 3 249.236 2.491 20 0 BEADHM O=C([N-]c1nocc1C1CC1)c1nccs1 ZINC001533975086 990441118 /nfs/dbraw/zinc/44/11/18/990441118.db2.gz LMCHYGXARJZOMC-UHFFFAOYSA-N -1 3 235.268 2.261 20 0 BEADHM O=C([N-]c1nocc1C1CC1)c1ncccc1F ZINC001536866516 990494298 /nfs/dbraw/zinc/49/42/98/990494298.db2.gz STHWJFXDHBXCES-UHFFFAOYSA-N -1 3 247.229 2.338 20 0 BEADHM CCc1nocc1C(=O)[N-]c1nocc1C1CC1 ZINC001537277716 990499091 /nfs/dbraw/zinc/49/90/91/990499091.db2.gz LMOJFNRXCYSVSH-UHFFFAOYSA-N -1 3 247.254 2.355 20 0 BEADHM O=C([N-]c1ccncc1F)c1sccc1F ZINC001537539838 990504581 /nfs/dbraw/zinc/50/45/81/990504581.db2.gz JFGVKZQPKLZGQK-UHFFFAOYSA-N -1 3 240.234 2.096 20 0 BEADHM COC/C=C/C(=O)Nc1ccc(Cl)cc1[O-] ZINC001556081844 990803935 /nfs/dbraw/zinc/80/39/35/990803935.db2.gz NTSFPXIHQRBTEQ-NSCUHMNNSA-N -1 3 241.674 2.187 20 0 BEADHM O=C(N[C@@H]1C[C@H]1c1ccco1)c1ccccc1[O-] ZINC001557003702 990869226 /nfs/dbraw/zinc/86/92/26/990869226.db2.gz FYTUOZDJMRCDOI-GHMZBOCLSA-N -1 3 243.262 2.271 20 0 BEADHM Cc1ccc(CN(C)Cc2ncccc2[O-])cn1 ZINC001138396289 990937334 /nfs/dbraw/zinc/93/73/34/990937334.db2.gz PQWBZSLVADKKDY-UHFFFAOYSA-N -1 3 243.310 2.123 20 0 BEADHM CC(C)=CCC[C@@H](C)Nc1cnc(C)[n-]c1=O ZINC001258087194 990994994 /nfs/dbraw/zinc/99/49/94/990994994.db2.gz HCHPJXXLIUTOSJ-ZYHUDNBSSA-N -1 3 235.331 2.109 20 0 BEADHM C[C@]1(F)CCN(Cc2ccncc2[O-])C[C@@H]1F ZINC001140273687 991576596 /nfs/dbraw/zinc/57/65/96/991576596.db2.gz PKJVXAYCIWHCOE-RYUDHWBXSA-N -1 3 242.269 2.059 20 0 BEADHM [O-]c1cnccc1CN1CCc2ccccc2C1 ZINC001140275060 991581814 /nfs/dbraw/zinc/58/18/14/991581814.db2.gz KGSSCQZTODPIGN-UHFFFAOYSA-N -1 3 240.306 2.346 20 0 BEADHM Cc1ncc(NC2CCC(C(C)C)CC2)c(=O)[n-]1 ZINC001258802065 991801020 /nfs/dbraw/zinc/80/10/20/991801020.db2.gz SFLUIKWHUYBTFC-BPCQOVAHSA-N -1 3 249.358 2.189 20 0 BEADHM CC(C)c1cccnc1[N-]S(=O)(=O)C1CC1 ZINC001259271118 991932510 /nfs/dbraw/zinc/93/25/10/991932510.db2.gz AOONTJOBIXFHHZ-UHFFFAOYSA-N -1 3 240.328 2.109 20 0 BEADHM CCCCCC(C)(C)[N-]S(=O)(=O)C(F)F ZINC001259962038 992072122 /nfs/dbraw/zinc/07/21/22/992072122.db2.gz BKJWJJMHIZNMAY-UHFFFAOYSA-N -1 3 243.319 2.487 20 0 BEADHM CC[C@H](C)S(=O)(=O)[N-]c1cc(C)cc(C)n1 ZINC001260722040 992133426 /nfs/dbraw/zinc/13/34/26/992133426.db2.gz MVENDVMLXUGXBY-JTQLQIEISA-N -1 3 242.344 2.239 20 0 BEADHM CCc1cccc([N-]S(=O)(=O)[C@H](C)CC)n1 ZINC001260726148 992138848 /nfs/dbraw/zinc/13/88/48/992138848.db2.gz LXWPRIOQFXIXSV-SECBINFHSA-N -1 3 242.344 2.184 20 0 BEADHM CCc1cccnc1[N-]S(=O)(=O)[C@H](C)CC ZINC001260726173 992140111 /nfs/dbraw/zinc/14/01/11/992140111.db2.gz ZNEHQNNCSSHEFV-SECBINFHSA-N -1 3 242.344 2.184 20 0 BEADHM CSCCO[N-]C(=O)CC(C1CC1)C1CC1 ZINC001321217806 992489770 /nfs/dbraw/zinc/48/97/70/992489770.db2.gz RNBJIAIMWVACOZ-UHFFFAOYSA-N -1 3 243.372 2.224 20 0 BEADHM C=C/C=C\CCOc1ccc(-c2nn[n-]n2)cc1 ZINC001573316312 992598645 /nfs/dbraw/zinc/59/86/45/992598645.db2.gz VMOARZQRQRCSLU-ARJAWSKDSA-N -1 3 242.282 2.378 20 0 BEADHM Cc1ccc(CN(c2cc(=O)[n-]cn2)C2CC2)o1 ZINC001262356044 992856368 /nfs/dbraw/zinc/85/63/68/992856368.db2.gz PNPTTXUENYYVRS-UHFFFAOYSA-N -1 3 245.282 2.253 20 0 BEADHM Cc1cc(=O)[n-]c(N[C@@H]2CCOC3(CCC3)C2)n1 ZINC001262687788 993030598 /nfs/dbraw/zinc/03/05/98/993030598.db2.gz XLNFXVKGESYASS-SNVBAGLBSA-N -1 3 249.314 2.004 20 0 BEADHM Nc1cnc(-c2cc([O-])cc(Cl)c2)nc1 ZINC000389631343 993759734 /nfs/dbraw/zinc/75/97/34/993759734.db2.gz MHLFYTQVYSTUGP-UHFFFAOYSA-N -1 3 221.647 2.085 20 0 BEADHM CC1(C(=O)[O-])CN(C/C=C\c2ccc(F)cc2)C1 ZINC001593808516 996541607 /nfs/dbraw/zinc/54/16/07/996541607.db2.gz RFNYVGJUOWQYIC-IHWYPQMZSA-N -1 3 249.285 2.245 20 0 BEADHM CC1(NCc2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC001594060314 997831813 /nfs/dbraw/zinc/83/18/13/997831813.db2.gz NHJJWZJGDDCQJF-PLNGDYQASA-N -1 3 221.256 2.020 20 0 BEADHM Cc1[nH]c(CN2CC(C)=C[C@H](C)C2)cc1C(=O)[O-] ZINC001594109888 998200456 /nfs/dbraw/zinc/20/04/56/998200456.db2.gz LIKCHGJVFKIPRJ-VIFPVBQESA-N -1 3 248.326 2.419 20 0 BEADHM CO[C@H](C)[C@@H](C)N[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001599039248 999105645 /nfs/dbraw/zinc/10/56/45/999105645.db2.gz JEVHXRFHBMQLDM-HRDYMLBCSA-N -1 3 241.287 2.052 20 0 BEADHM C(=C\C1CC1)\CNc1ccc(-c2nn[n-]n2)cc1 ZINC001609021916 1170218652 /nfs/dbraw/zinc/21/86/52/1170218652.db2.gz LTJLVEQONXJBDQ-UPHRSURJSA-N -1 3 241.298 2.245 20 0 BEADHM C(=C/C1CC1)\CNc1ccc(-c2nn[n-]n2)cc1 ZINC001609021915 1170219591 /nfs/dbraw/zinc/21/95/91/1170219591.db2.gz LTJLVEQONXJBDQ-OWOJBTEDSA-N -1 3 241.298 2.245 20 0 BEADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001609114000 1170230824 /nfs/dbraw/zinc/23/08/24/1170230824.db2.gz QLQPPYPQSKZBPP-SECBINFHSA-N -1 3 243.314 2.325 20 0 BEADHM Cc1cc(OC2CCC2)ccc1-c1nn[n-]n1 ZINC001609410945 1170256004 /nfs/dbraw/zinc/25/60/04/1170256004.db2.gz HWMYVCSVYLVILE-UHFFFAOYSA-N -1 3 230.271 2.106 20 0 BEADHM Cc1c(C(=O)[O-])cc(CN2CCC2(C)C)n1C ZINC001610407006 1170377773 /nfs/dbraw/zinc/37/77/73/1170377773.db2.gz GUPPARLDSVVAAY-UHFFFAOYSA-N -1 3 236.315 2.016 20 0 BEADHM O=C([O-])[C@@H](CC(F)F)NCc1ccccc1F ZINC001610715945 1170404137 /nfs/dbraw/zinc/40/41/37/1170404137.db2.gz VEALLWGPWVQMQH-SECBINFHSA-N -1 3 247.216 2.024 20 0 BEADHM Cc1nocc1C(=O)Nc1cc(F)ccc1[O-] ZINC001610906280 1170423257 /nfs/dbraw/zinc/42/32/57/1170423257.db2.gz UISTVHXEYFPUGW-UHFFFAOYSA-N -1 3 236.202 2.080 20 0 BEADHM CSC=CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001624739945 1171054764 /nfs/dbraw/zinc/05/47/64/1171054764.db2.gz IERHZXUZXNVJLO-SNAWJCMRSA-N -1 3 249.295 2.084 20 0 BEADHM CC(C)c1cc([N-]C(=O)c2cocn2)no1 ZINC001628102885 1171204536 /nfs/dbraw/zinc/20/45/36/1171204536.db2.gz CZTPXEYZPKRUTF-UHFFFAOYSA-N -1 3 221.216 2.038 20 0 BEADHM O=C(CCc1ccco1)[N-]Oc1ccc(F)cc1 ZINC001628855411 1171268239 /nfs/dbraw/zinc/26/82/39/1171268239.db2.gz HLWADRWEJYSDHV-UHFFFAOYSA-N -1 3 249.241 2.462 20 0 BEADHM C=C/C=C\CC(=O)NCc1ccc([O-])c(F)c1 ZINC001631430078 1171455413 /nfs/dbraw/zinc/45/54/13/1171455413.db2.gz NVXQSAZGXMOASX-ARJAWSKDSA-N -1 3 235.258 2.280 20 0 BEADHM CCC(C)(CC)[N-]S(=O)(=O)c1ccco1 ZINC000188686924 168311352 /nfs/dbraw/zinc/31/13/52/168311352.db2.gz WVNOGBPGMZQBBK-UHFFFAOYSA-N -1 3 231.317 2.137 20 0 BEADHM COc1cccc(C(=O)N2[C@@H](C)CC[C@@H]2C)c1[O-] ZINC000162449404 398138224 /nfs/dbraw/zinc/13/82/24/398138224.db2.gz DSBUPBRHECXGKY-UWVGGRQHSA-N -1 3 249.310 2.414 20 0 BEADHM C[C@@]1(C(=O)[O-])CCN(Cc2ccccc2F)C1 ZINC000062936333 349502580 /nfs/dbraw/zinc/50/25/80/349502580.db2.gz CPRUXKZCCNVTQK-CYBMUJFWSA-N -1 3 237.274 2.122 20 0 BEADHM CCc1cccc(C(=O)N[C@H]2CC23CC3)c1[O-] ZINC000521032537 398199583 /nfs/dbraw/zinc/19/95/83/398199583.db2.gz WGLMDJBNANLBDN-NSHDSACASA-N -1 3 231.295 2.237 20 0 BEADHM O=c1[n-]c(Cc2cccs2)nc2cccnc12 ZINC000491819832 538921874 /nfs/dbraw/zinc/92/18/74/538921874.db2.gz QDZGZVIEVJORPZ-UHFFFAOYSA-N -1 3 243.291 2.383 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC3(CC3)CC2)n1 ZINC000370031289 178202498 /nfs/dbraw/zinc/20/24/98/178202498.db2.gz MRSABXBFITWUBS-NSHDSACASA-N -1 3 247.342 2.428 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H](C)[C@H](C)C2)n1 ZINC000279602219 178203981 /nfs/dbraw/zinc/20/39/81/178203981.db2.gz XDCOPYOYKYROLE-KKZNHRDASA-N -1 3 235.331 2.139 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H]2C[C@@H]21 ZINC000650074622 398231618 /nfs/dbraw/zinc/23/16/18/398231618.db2.gz BVBYXXIQGQFYGL-PWSUYJOCSA-N -1 3 249.285 2.085 20 0 BEADHM C[C@@H](CC1CCC1)NC(=O)c1ccc(O)cc1[O-] ZINC000634369183 361820566 /nfs/dbraw/zinc/82/05/66/361820566.db2.gz UZOVZBANLZNNJC-VIFPVBQESA-N -1 3 249.310 2.406 20 0 BEADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@@H]1C1CC1 ZINC000175860757 365610948 /nfs/dbraw/zinc/61/09/48/365610948.db2.gz AVYORRSDQIYRQL-NXEZZACHSA-N -1 3 217.268 2.377 20 0 BEADHM C[C@H](CC1CCC1)NC(=O)c1csc(=O)[n-]1 ZINC000634369707 361827879 /nfs/dbraw/zinc/82/78/79/361827879.db2.gz GYCVYTALNBVWRB-SSDOTTSWSA-N -1 3 240.328 2.157 20 0 BEADHM Cc1ccc(C(=O)N2CCC(F)(F)C2)c([O-])c1 ZINC000313310342 178383576 /nfs/dbraw/zinc/38/35/76/178383576.db2.gz GTOJYLOFCNYJEA-UHFFFAOYSA-N -1 3 241.237 2.182 20 0 BEADHM Cc1ccc(C(=O)N2CC[C@H](C)C2)c([O-])c1C ZINC000263646798 178397277 /nfs/dbraw/zinc/39/72/77/178397277.db2.gz CMDFOFYPUSZVDL-VIFPVBQESA-N -1 3 233.311 2.491 20 0 BEADHM Cc1ccc(C(=O)N2C[C@H](C)[C@H]2C)c([O-])c1C ZINC000294432040 178399502 /nfs/dbraw/zinc/39/95/02/178399502.db2.gz ZVJIFAOFGZBQRY-GXSJLCMTSA-N -1 3 233.311 2.489 20 0 BEADHM CCC[C@]1(NC(=O)c2ccccc2[O-])CCOC1 ZINC000378797076 346835547 /nfs/dbraw/zinc/83/55/47/346835547.db2.gz SLUYNPBVFCVDHM-AWEZNQCLSA-N -1 3 249.310 2.081 20 0 BEADHM O=C([O-])c1ccc(CN2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000083362247 398278232 /nfs/dbraw/zinc/27/82/32/398278232.db2.gz NNPUGOFFEIDBSG-AOOOYVTPSA-N -1 3 235.283 2.210 20 0 BEADHM CCC(CC)NC(=O)c1cccc(OC)c1[O-] ZINC000019837267 168385258 /nfs/dbraw/zinc/38/52/58/168385258.db2.gz JZPIXXOEVHSAMS-UHFFFAOYSA-N -1 3 237.299 2.319 20 0 BEADHM CC[C@@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000309599507 342732171 /nfs/dbraw/zinc/73/21/71/342732171.db2.gz JPOFVPORAYCQJI-SNVBAGLBSA-N -1 3 245.681 2.432 20 0 BEADHM CCC(CC)NC(=O)c1ccccc1[O-] ZINC000019837254 168385816 /nfs/dbraw/zinc/38/58/16/168385816.db2.gz HVFNNRNTHGOSQO-UHFFFAOYSA-N -1 3 207.273 2.311 20 0 BEADHM CCC(CC)NC(=O)c1ccc(OC)cc1[O-] ZINC000019837265 168386111 /nfs/dbraw/zinc/38/61/11/168386111.db2.gz JKMAPFCWHHPQRG-UHFFFAOYSA-N -1 3 237.299 2.319 20 0 BEADHM CCc1c(=O)n(C)[n-]c1-c1cccc(C)c1 ZINC000634583094 342800365 /nfs/dbraw/zinc/80/03/65/342800365.db2.gz KXRMYSCQWSYCDA-NSHDSACASA-N -1 3 216.284 2.197 20 0 BEADHM Cc1cscc1[N-]C(=O)c1cnns1 ZINC000151173114 323012430 /nfs/dbraw/zinc/01/24/30/323012430.db2.gz DZYAQNFDSVAYLJ-UHFFFAOYSA-N -1 3 225.298 2.160 20 0 BEADHM O=C(CC1CCC(=O)CC1)Nc1ccccc1[O-] ZINC000530508036 342789363 /nfs/dbraw/zinc/78/93/63/342789363.db2.gz RDIOLTUDPJCLHB-UHFFFAOYSA-N -1 3 247.294 2.480 20 0 BEADHM C[C@@H]1CCc2[n-]n(Cc3ccccc3)c(=O)c21 ZINC000634584342 342837409 /nfs/dbraw/zinc/83/74/09/342837409.db2.gz ZVHHZUPEKMRBRE-ZWNOBZJWSA-N -1 3 228.295 2.431 20 0 BEADHM Cc1cc([N-]C(=O)c2coc(C3CCC3)n2)no1 ZINC000195334190 539010423 /nfs/dbraw/zinc/01/04/23/539010423.db2.gz FFQFTGPPXDXLLN-UHFFFAOYSA-N -1 3 247.254 2.491 20 0 BEADHM CCCOCC(=O)Nc1ccc([O-])cc1Cl ZINC000233220662 342836364 /nfs/dbraw/zinc/83/63/64/342836364.db2.gz BLWQESOZGBSTHO-UHFFFAOYSA-N -1 3 243.690 2.411 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@H]2CC[C@@H](F)C2)c1 ZINC000335740099 398296229 /nfs/dbraw/zinc/29/62/29/398296229.db2.gz KJLDVESKVPRHFY-ZJUUUORDSA-N -1 3 237.274 2.321 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H](F)C2)c1 ZINC000335740096 398296489 /nfs/dbraw/zinc/29/64/89/398296489.db2.gz KJLDVESKVPRHFY-NXEZZACHSA-N -1 3 237.274 2.321 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CC(C)(C)C2)c1 ZINC000390818301 539027504 /nfs/dbraw/zinc/02/75/04/539027504.db2.gz QMSPPOXCZQGNFZ-UHFFFAOYSA-N -1 3 219.284 2.183 20 0 BEADHM [O-]c1ccc(Cl)c(CN2CCC(O)CC2)c1 ZINC000625073589 342848643 /nfs/dbraw/zinc/84/86/43/342848643.db2.gz ZUWVKDYWNJYXPH-UHFFFAOYSA-N -1 3 241.718 2.002 20 0 BEADHM CC(C)N(CCO)Cc1cc([O-])ccc1Cl ZINC000625105379 342858039 /nfs/dbraw/zinc/85/80/39/342858039.db2.gz VYXROXHUIKQJNT-UHFFFAOYSA-N -1 3 243.734 2.248 20 0 BEADHM CCSCCCNc1ccncc1C(=O)[O-] ZINC000300889195 259327835 /nfs/dbraw/zinc/32/78/35/259327835.db2.gz HGSYFDSYTNRJJH-UHFFFAOYSA-N -1 3 240.328 2.335 20 0 BEADHM C[C@H](O)CCN(C)Cc1cc([O-])ccc1Cl ZINC000625183494 342903289 /nfs/dbraw/zinc/90/32/89/342903289.db2.gz KWYIMCQNSSAPKR-VIFPVBQESA-N -1 3 243.734 2.248 20 0 BEADHM C[C@H](CC(=O)[O-])N(C)Cc1ccc(F)cc1F ZINC000260142367 349648427 /nfs/dbraw/zinc/64/84/27/349648427.db2.gz QLTUZPBUMAUVII-MRVPVSSYSA-N -1 3 243.253 2.260 20 0 BEADHM C[C@H]1CCc2[n-]n(CC(C)(C)C)c(=O)c21 ZINC000634588503 342934376 /nfs/dbraw/zinc/93/43/76/342934376.db2.gz VFYCSVKIXLELKO-WCBMZHEXSA-N -1 3 208.305 2.277 20 0 BEADHM C[C@H]1CCc2[n-]n(CC(C)(C)C)c(=O)c21 ZINC000634588504 342934435 /nfs/dbraw/zinc/93/44/35/342934435.db2.gz VFYCSVKIXLELKO-WPRPVWTQSA-N -1 3 208.305 2.277 20 0 BEADHM C[C@@H]1CC(C)(C)CN1c1ccncc1C(=O)[O-] ZINC000566291831 398332608 /nfs/dbraw/zinc/33/26/08/398332608.db2.gz VLVJPURJARDAFH-SECBINFHSA-N -1 3 234.299 2.405 20 0 BEADHM CC(C)O[N-]C(=O)/C=C/c1nc2ccccc2o1 ZINC000379030815 346892405 /nfs/dbraw/zinc/89/24/05/346892405.db2.gz WIZBFRGMWOTOEQ-BQYQJAHWSA-N -1 3 246.266 2.297 20 0 BEADHM O=C(c1cccc([O-])c1)N1CCCCCC1 ZINC000019837509 342959010 /nfs/dbraw/zinc/95/90/10/342959010.db2.gz YFGLHORBSBTJSN-UHFFFAOYSA-N -1 3 219.284 2.408 20 0 BEADHM CCC(CC)n1[n-]c(C)c(C2CC2)c1=O ZINC000634604819 342998952 /nfs/dbraw/zinc/99/89/52/342998952.db2.gz SMKIFIKMLKHZDH-NSHDSACASA-N -1 3 208.305 2.419 20 0 BEADHM CCC(CC)n1ncc2cc([O-])ccc2c1=O ZINC000634604678 342999163 /nfs/dbraw/zinc/99/91/63/342999163.db2.gz NJRLCDGWZHKBGR-UHFFFAOYSA-N -1 3 232.283 2.463 20 0 BEADHM CCC(CC)n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634605383 342999648 /nfs/dbraw/zinc/99/96/48/342999648.db2.gz KFJAVLONQXGQFD-KCJUWKMLSA-N -1 3 208.305 2.419 20 0 BEADHM CCOC(C)(C)C(=O)Nc1ccc(C)cc1[O-] ZINC000383952842 343003955 /nfs/dbraw/zinc/00/39/55/343003955.db2.gz AXXFMSGOEDMKAD-UHFFFAOYSA-N -1 3 237.299 2.454 20 0 BEADHM CCc1ccc(/C=C\C(=O)[N-]OC2CCC2)o1 ZINC000493624595 529587273 /nfs/dbraw/zinc/58/72/73/529587273.db2.gz SQXGFVMYSLCXBQ-HJWRWDBZSA-N -1 3 235.283 2.456 20 0 BEADHM Cc1[n-]n([C@@H](C)c2ccncc2)c(=O)c1C1CC1 ZINC000634626828 343036469 /nfs/dbraw/zinc/03/64/69/343036469.db2.gz NDWOIRWFMXMIGQ-GXFFZTMASA-N -1 3 243.310 2.387 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)/C=C\c1ccc[nH]1 ZINC000492841795 529669125 /nfs/dbraw/zinc/66/91/25/529669125.db2.gz QKEYVKSPZNWPED-GFVADAIESA-N -1 3 222.288 2.122 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)/C=C\c1cccnc1C ZINC000493415892 529669201 /nfs/dbraw/zinc/66/92/01/529669201.db2.gz GWPISIOSZAJKNG-TVRMLOFPSA-N -1 3 248.326 2.497 20 0 BEADHM CC[C@H](C)CO[N-]C(=O)/C=C\c1ncccc1C ZINC000492838173 529669822 /nfs/dbraw/zinc/66/98/22/529669822.db2.gz JZCYXEPNQACDSD-TVRMLOFPSA-N -1 3 248.326 2.497 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2ccc(O)cc2)n1 ZINC000141870080 343112563 /nfs/dbraw/zinc/11/25/63/343112563.db2.gz MOCVDHDLGGYGAT-DAXSKMNVSA-N -1 3 228.251 2.367 20 0 BEADHM C[C@@H](NCc1ccc(F)cc1F)[C@@H](C)C(=O)[O-] ZINC000093028815 343150508 /nfs/dbraw/zinc/15/05/08/343150508.db2.gz XGYYGROUKLBNEH-HTQZYQBOSA-N -1 3 243.253 2.164 20 0 BEADHM CC(C)CN(Cc1ccc(C(=O)[O-])cn1)C1CC1 ZINC000094762527 343156999 /nfs/dbraw/zinc/15/69/99/343156999.db2.gz NGIZETDJHQHXNT-UHFFFAOYSA-N -1 3 248.326 2.400 20 0 BEADHM C[C@@H]1CC[C@H](C)N(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762906 343157085 /nfs/dbraw/zinc/15/70/85/343157085.db2.gz AKLKYUMWXVWFGY-MNOVXSKESA-N -1 3 248.326 2.400 20 0 BEADHM C[C@H]1CCCN(c2ccncc2C(=O)[O-])CC1 ZINC000126195830 343169758 /nfs/dbraw/zinc/16/97/58/343169758.db2.gz UWNOIMQWWYLMOF-JTQLQIEISA-N -1 3 234.299 2.406 20 0 BEADHM C[C@H]1C[C@H](C)N(Cc2ccc(C(=O)[O-])o2)C1 ZINC000158008228 343200391 /nfs/dbraw/zinc/20/03/91/343200391.db2.gz FDQQJJQAPUDDQD-IUCAKERBSA-N -1 3 223.272 2.208 20 0 BEADHM C[C@@H]1C[C@H](O)CN1Cc1cc([O-])ccc1Cl ZINC000625274047 343212991 /nfs/dbraw/zinc/21/29/91/343212991.db2.gz SLICZUTZFHRXHP-KCJUWKMLSA-N -1 3 241.718 2.001 20 0 BEADHM Cc1ccc([O-])c(C(=O)N(C)CC(C)C)c1 ZINC000037023424 343330987 /nfs/dbraw/zinc/33/09/87/343330987.db2.gz PPFKGGLIWNNQJL-UHFFFAOYSA-N -1 3 221.300 2.429 20 0 BEADHM CSCCN(C)Cc1csc(C(=O)[O-])c1 ZINC000569858221 323043085 /nfs/dbraw/zinc/04/30/85/323043085.db2.gz SOMBRMXOUQSTCN-UHFFFAOYSA-N -1 3 245.369 2.241 20 0 BEADHM Cc1cc(C(=O)N[C@H]2CC[C@H](F)C2)ccc1[O-] ZINC000335695507 136326363 /nfs/dbraw/zinc/32/63/63/136326363.db2.gz AXHWWVKPVAKWBM-QWRGUYRKSA-N -1 3 237.274 2.321 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2C2CC2)n1 ZINC000335727043 136347601 /nfs/dbraw/zinc/34/76/01/136347601.db2.gz UFWBUFOFTMHBIH-NXEZZACHSA-N -1 3 232.283 2.080 20 0 BEADHM O=C(NCc1ncccc1[O-])Nc1ccccc1 ZINC000335731389 136349097 /nfs/dbraw/zinc/34/90/97/136349097.db2.gz ZVVPKESNYBRWLI-UHFFFAOYSA-N -1 3 243.266 2.109 20 0 BEADHM CC[C@@H](NC(=O)c1csc(=O)[n-]1)C(C)(C)C ZINC000349596381 136352545 /nfs/dbraw/zinc/35/25/45/136352545.db2.gz FZAJEPGBUZWDJL-MRVPVSSYSA-N -1 3 242.344 2.403 20 0 BEADHM Cc1ccc(NC(=O)[C@H]2C[C@@]23CCOC3)c([O-])c1 ZINC000335705240 136335863 /nfs/dbraw/zinc/33/58/63/136335863.db2.gz MLBFJYPQUPIVBO-QMTHXVAHSA-N -1 3 247.294 2.066 20 0 BEADHM CC[C@H]1CO[C@@H](C)CN1C(=O)c1ccccc1[O-] ZINC000042237516 343432108 /nfs/dbraw/zinc/43/21/08/343432108.db2.gz HHRZXVRWLDSNAX-QWRGUYRKSA-N -1 3 249.310 2.032 20 0 BEADHM CCN(C(=O)c1cc(OC)ccc1[O-])C(C)C ZINC000042266246 343432957 /nfs/dbraw/zinc/43/29/57/343432957.db2.gz CIZDJZFRFZKWRJ-UHFFFAOYSA-N -1 3 237.299 2.271 20 0 BEADHM CS[C@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000043005990 343461816 /nfs/dbraw/zinc/46/18/16/343461816.db2.gz QWBJODGJRWJEJY-MRVPVSSYSA-N -1 3 225.313 2.391 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CCC[C@H]2C)c1 ZINC000043334151 343468130 /nfs/dbraw/zinc/46/81/30/343468130.db2.gz IETYZABVEBXYOC-SECBINFHSA-N -1 3 235.283 2.025 20 0 BEADHM C[C@@H](CC1CCC1)NC(=O)c1c([O-])cccc1O ZINC000641161471 362246894 /nfs/dbraw/zinc/24/68/94/362246894.db2.gz BULKRBXBTGUFAU-VIFPVBQESA-N -1 3 249.310 2.406 20 0 BEADHM CNC(=O)[C@H]([N-]c1nc2ccccc2o1)C(C)C ZINC000222006231 343702544 /nfs/dbraw/zinc/70/25/44/343702544.db2.gz USCHEYPSJDOAKE-LLVKDONJSA-N -1 3 247.298 2.010 20 0 BEADHM CCCCN(C)c1ccncc1C(=O)[O-] ZINC000088109667 343706241 /nfs/dbraw/zinc/70/62/41/343706241.db2.gz RXYSHDORRVDBPU-UHFFFAOYSA-N -1 3 208.261 2.016 20 0 BEADHM CCN(Cc1cc([O-])ccc1Cl)[C@@H](C)CO ZINC000625451486 343827669 /nfs/dbraw/zinc/82/76/69/343827669.db2.gz NTWDVFRQIUABSC-VIFPVBQESA-N -1 3 243.734 2.248 20 0 BEADHM CCC[C@@H](C)CCCN(C)Cc1n[n-]c(=O)o1 ZINC000625483421 343881895 /nfs/dbraw/zinc/88/18/95/343881895.db2.gz HBPFPWSJXAOSHS-SNVBAGLBSA-N -1 3 241.335 2.423 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CC1(C)C ZINC000625525082 343917348 /nfs/dbraw/zinc/91/73/48/343917348.db2.gz QPANGNACCOSTTC-JTQLQIEISA-N -1 3 233.311 2.477 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000628130976 344160796 /nfs/dbraw/zinc/16/07/96/344160796.db2.gz OIPJIMFSTKAUTO-GHMZBOCLSA-N -1 3 231.295 2.183 20 0 BEADHM Cc1ccc(C(=O)NCCCCF)c([O-])c1 ZINC000381192895 344160993 /nfs/dbraw/zinc/16/09/93/344160993.db2.gz ZFGGUSDVPXRWND-UHFFFAOYSA-N -1 3 225.263 2.180 20 0 BEADHM CN(Cc1ccsc1C(=O)[O-])C1CCC1 ZINC000127582554 344198443 /nfs/dbraw/zinc/19/84/43/344198443.db2.gz WISMNLTZBHYTPY-UHFFFAOYSA-N -1 3 225.313 2.431 20 0 BEADHM Cc1cccc([O-])c1C(=O)NCCC1CC1 ZINC000625871627 344252083 /nfs/dbraw/zinc/25/20/83/344252083.db2.gz QBQLIYHMPZQUIK-UHFFFAOYSA-N -1 3 219.284 2.231 20 0 BEADHM C/C=C\CNC(=O)c1cccc(C)c1[O-] ZINC000385099301 344323979 /nfs/dbraw/zinc/32/39/79/344323979.db2.gz ZJBBFXSIEVAEJV-ARJAWSKDSA-N -1 3 205.257 2.007 20 0 BEADHM CC1(C)CCCN1Cc1ccc(C(=O)[O-])cn1 ZINC000094762768 344330910 /nfs/dbraw/zinc/33/09/10/344330910.db2.gz DNECKWZZDNEZKE-UHFFFAOYSA-N -1 3 234.299 2.154 20 0 BEADHM CC1(C)[C@@H]2CN(Cc3ccc(C(=O)[O-])o3)C[C@@H]21 ZINC000380452342 344369735 /nfs/dbraw/zinc/36/97/35/344369735.db2.gz MBOJNVCJDIQWIC-AOOOYVTPSA-N -1 3 235.283 2.066 20 0 BEADHM CCN1CCCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000104138109 344454720 /nfs/dbraw/zinc/45/47/20/344454720.db2.gz KFDVTMVRDOYRFX-LBPRGKRZSA-N -1 3 248.326 2.205 20 0 BEADHM CCN(Cc1ccccc1F)[C@H](C)C(=O)[O-] ZINC000381222940 344487639 /nfs/dbraw/zinc/48/76/39/344487639.db2.gz JDZFOHPWTCPACB-SECBINFHSA-N -1 3 225.263 2.121 20 0 BEADHM Cc1cccc([O-])c1C(=O)NC1CC=CC1 ZINC000626100269 344738467 /nfs/dbraw/zinc/73/84/67/344738467.db2.gz JISHTSDIZJWECO-UHFFFAOYSA-N -1 3 217.268 2.149 20 0 BEADHM CCC(CC)(CNCc1cscn1)C(=O)[O-] ZINC000263042024 534983813 /nfs/dbraw/zinc/98/38/13/534983813.db2.gz JCJRVSTXZGOTIH-UHFFFAOYSA-N -1 3 242.344 2.124 20 0 BEADHM CCc1ccccc1CSCCc1nnn[n-]1 ZINC000603337246 349928313 /nfs/dbraw/zinc/92/83/13/349928313.db2.gz DFOMRYSWVPHVBK-UHFFFAOYSA-N -1 3 248.355 2.238 20 0 BEADHM CCc1ccccc1CSCCc1nn[n-]n1 ZINC000603337246 349928317 /nfs/dbraw/zinc/92/83/17/349928317.db2.gz DFOMRYSWVPHVBK-UHFFFAOYSA-N -1 3 248.355 2.238 20 0 BEADHM [O-]c1cc(F)cc(CNCc2nccs2)c1 ZINC000159594826 345445247 /nfs/dbraw/zinc/44/52/47/345445247.db2.gz JSOXFOPGDPJIIF-UHFFFAOYSA-N -1 3 238.287 2.278 20 0 BEADHM C1=C[C@H](SCCc2nnn[n-]2)CCCCC1 ZINC000603339227 349929491 /nfs/dbraw/zinc/92/94/91/349929491.db2.gz CNBMDVPADCUHAJ-JTQLQIEISA-N -1 3 238.360 2.364 20 0 BEADHM C1=C[C@H](SCCc2nn[n-]n2)CCCCC1 ZINC000603339227 349929493 /nfs/dbraw/zinc/92/94/93/349929493.db2.gz CNBMDVPADCUHAJ-JTQLQIEISA-N -1 3 238.360 2.364 20 0 BEADHM C[C@H](NC(=O)c1cccc([O-])c1)c1cncs1 ZINC000082282545 345502313 /nfs/dbraw/zinc/50/23/13/345502313.db2.gz NJUMDKLGCJHJJV-QMMMGPOBSA-N -1 3 248.307 2.340 20 0 BEADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1cncs1 ZINC000082282546 345502397 /nfs/dbraw/zinc/50/23/97/345502397.db2.gz NJUMDKLGCJHJJV-MRVPVSSYSA-N -1 3 248.307 2.340 20 0 BEADHM Cc1ccc(CCSCCc2nnn[n-]2)cc1 ZINC000603337904 349928555 /nfs/dbraw/zinc/92/85/55/349928555.db2.gz GBZZEYCNPGGEAL-UHFFFAOYSA-N -1 3 248.355 2.027 20 0 BEADHM Cc1ccc(CCSCCc2nn[n-]n2)cc1 ZINC000603337904 349928558 /nfs/dbraw/zinc/92/85/58/349928558.db2.gz GBZZEYCNPGGEAL-UHFFFAOYSA-N -1 3 248.355 2.027 20 0 BEADHM Cc1cc(C)cc(CSCCc2nnn[n-]2)c1 ZINC000603337704 349928601 /nfs/dbraw/zinc/92/86/01/349928601.db2.gz MLTHBRLSGDAJCR-UHFFFAOYSA-N -1 3 248.355 2.292 20 0 BEADHM Cc1cc(C)cc(CSCCc2nn[n-]n2)c1 ZINC000603337704 349928602 /nfs/dbraw/zinc/92/86/02/349928602.db2.gz MLTHBRLSGDAJCR-UHFFFAOYSA-N -1 3 248.355 2.292 20 0 BEADHM [O-]C(=NOC1CCCC1)Nc1cccnc1 ZINC000089264994 345552165 /nfs/dbraw/zinc/55/21/65/345552165.db2.gz IEDZIJDLLJCPJZ-UHFFFAOYSA-N -1 3 221.260 2.077 20 0 BEADHM O=C([N-]OC1CCCC1)Nc1cccnc1 ZINC000089264994 345552167 /nfs/dbraw/zinc/55/21/67/345552167.db2.gz IEDZIJDLLJCPJZ-UHFFFAOYSA-N -1 3 221.260 2.077 20 0 BEADHM Cc1cccc(C(=O)NCCc2ccc[nH]2)c1[O-] ZINC000089348953 345553280 /nfs/dbraw/zinc/55/32/80/345553280.db2.gz UVZZHBIFAJVURB-UHFFFAOYSA-N -1 3 244.294 2.001 20 0 BEADHM Cc1ccc([O-])c(C[N@@H+]2CCC2(C)C)n1 ZINC000093460246 345671916 /nfs/dbraw/zinc/67/19/16/345671916.db2.gz AONVXOCRGNAXOX-UHFFFAOYSA-N -1 3 206.289 2.080 20 0 BEADHM Cc1ccc([O-])c(CN2CCC2(C)C)n1 ZINC000093460246 345671922 /nfs/dbraw/zinc/67/19/22/345671922.db2.gz AONVXOCRGNAXOX-UHFFFAOYSA-N -1 3 206.289 2.080 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CCC2(C)C)c1 ZINC000094167546 345681651 /nfs/dbraw/zinc/68/16/51/345681651.db2.gz HEZIQWHQBJAJIU-UHFFFAOYSA-N -1 3 219.284 2.325 20 0 BEADHM Cc1ccc(C(=O)Nc2ncccc2[O-])cc1F ZINC000138471649 345694266 /nfs/dbraw/zinc/69/42/66/345694266.db2.gz SEZVCKLTIVYUBQ-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2)n1 ZINC000199185311 345727367 /nfs/dbraw/zinc/72/73/67/345727367.db2.gz VZNUVALUIMQCKX-FPLPWBNLSA-N -1 3 212.252 2.249 20 0 BEADHM CN(C(=O)c1ccccc1[O-])C(C)(C)C ZINC000140294305 345807995 /nfs/dbraw/zinc/80/79/95/345807995.db2.gz IZODDGRMLIZKRT-UHFFFAOYSA-N -1 3 207.273 2.263 20 0 BEADHM CC(C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000141604042 345847301 /nfs/dbraw/zinc/84/73/01/345847301.db2.gz UGAYRVLEQBTSHC-UHFFFAOYSA-N -1 3 224.329 2.289 20 0 BEADHM CCc1cc(N2CCC[C@](C)(C(=O)[O-])C2)ccn1 ZINC000307775243 345960736 /nfs/dbraw/zinc/96/07/36/345960736.db2.gz GZHZBOUKINTIEA-AWEZNQCLSA-N -1 3 248.326 2.335 20 0 BEADHM Cc1ccc(CC[N-]C(=O)C(F)(F)F)cc1 ZINC000147332142 346014671 /nfs/dbraw/zinc/01/46/71/346014671.db2.gz VXZGRCKRULAIIJ-UHFFFAOYSA-N -1 3 231.217 2.216 20 0 BEADHM Cc1oc([C@@H](C)N2CCCC2)cc1C(=O)[O-] ZINC000563277637 323107607 /nfs/dbraw/zinc/10/76/07/323107607.db2.gz JNIGHCJPUSPOLS-MRVPVSSYSA-N -1 3 223.272 2.443 20 0 BEADHM Cc1cccc(C(=O)N2CC[C@@H](C)C2)c1[O-] ZINC000040725154 179011375 /nfs/dbraw/zinc/01/13/75/179011375.db2.gz SLQHRFNTXYYSQP-SECBINFHSA-N -1 3 219.284 2.183 20 0 BEADHM Cc1cccc(C(=O)N[C@@H](C)C2CC2)c1[O-] ZINC000035141205 179021450 /nfs/dbraw/zinc/02/14/50/179021450.db2.gz OWSWRJZFHXJVDN-VIFPVBQESA-N -1 3 219.284 2.229 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1OC2CCC1CC2 ZINC000636403727 346474251 /nfs/dbraw/zinc/47/42/51/346474251.db2.gz JKDTVQNZZRNNGV-UHFFFAOYSA-N -1 3 247.294 2.399 20 0 BEADHM Cc1ccc(NC([O-])=NOC(C)C)cc1 ZINC000006212793 346646180 /nfs/dbraw/zinc/64/61/80/346646180.db2.gz KHIZEDQFAWAOCV-UHFFFAOYSA-N -1 3 208.261 2.457 20 0 BEADHM Cc1ccc(NC(=O)[N-]OC(C)C)cc1 ZINC000006212793 346646181 /nfs/dbraw/zinc/64/61/81/346646181.db2.gz KHIZEDQFAWAOCV-UHFFFAOYSA-N -1 3 208.261 2.457 20 0 BEADHM CCCCCNC(=O)c1ccccc1[O-] ZINC000019837987 347361192 /nfs/dbraw/zinc/36/11/92/347361192.db2.gz MCLLHXMOCPSMBZ-UHFFFAOYSA-N -1 3 207.273 2.312 20 0 BEADHM Cc1ccccc1CC[N-]C(=O)C(F)(F)F ZINC000111539802 179263223 /nfs/dbraw/zinc/26/32/23/179263223.db2.gz NQRBRVAEXNNXCU-UHFFFAOYSA-N -1 3 231.217 2.216 20 0 BEADHM CC[C@H](C)C[N-]S(=O)(=O)c1ccccc1F ZINC000054472605 348026135 /nfs/dbraw/zinc/02/61/35/348026135.db2.gz WMPWBXXNCSTTDK-VIFPVBQESA-N -1 3 245.319 2.150 20 0 BEADHM Cc1cccnc1NC(=O)c1cccc([O-])c1 ZINC000019836767 179393964 /nfs/dbraw/zinc/39/39/64/179393964.db2.gz FNIIXKDOUJVQPB-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](C)[C@H]2C)n1 ZINC000248718778 349146890 /nfs/dbraw/zinc/14/68/90/349146890.db2.gz FWKAMTLQWUXJHG-IEBDPFPHSA-N -1 3 235.331 2.282 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H]2C)n1 ZINC000248779047 349149138 /nfs/dbraw/zinc/14/91/38/349149138.db2.gz UUSLOBOBSCHPAM-ZJUUUORDSA-N -1 3 221.304 2.036 20 0 BEADHM [O-]c1ccc(F)c(CNCCCF)c1F ZINC000308932983 349166884 /nfs/dbraw/zinc/16/68/84/349166884.db2.gz MYWCKNRJRIIZOB-UHFFFAOYSA-N -1 3 219.206 2.120 20 0 BEADHM C[C@H]1CCCN(Cc2ccc(C(=O)[O-])cn2)[C@H]1C ZINC000252214822 349198989 /nfs/dbraw/zinc/19/89/89/349198989.db2.gz XJCWALCVOPDVMM-QWRGUYRKSA-N -1 3 248.326 2.400 20 0 BEADHM CN(Cc1ccoc1C(=O)[O-])CC1CCC1 ZINC000061479417 349369468 /nfs/dbraw/zinc/36/94/68/349369468.db2.gz GHLMWYKWNOQFPM-UHFFFAOYSA-N -1 3 223.272 2.210 20 0 BEADHM Cc1nc(CNC(=O)c2cccc([O-])c2)cs1 ZINC000049534822 179966123 /nfs/dbraw/zinc/96/61/23/179966123.db2.gz RLRUSKPCNRQRIE-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM Cc1nc(C[N-]c2nc(C3CC3)no2)cs1 ZINC000178370569 179976094 /nfs/dbraw/zinc/97/60/94/179976094.db2.gz PWGGQAYPFNMHDV-UHFFFAOYSA-N -1 3 236.300 2.324 20 0 BEADHM Cc1nc(NC([O-])=NOC(C)C)sc1C ZINC000296498518 180011211 /nfs/dbraw/zinc/01/12/11/180011211.db2.gz XWMZPZPGPHOPCG-UHFFFAOYSA-N -1 3 229.305 2.221 20 0 BEADHM Cc1nc(NC(=O)[N-]OC(C)C)sc1C ZINC000296498518 180011213 /nfs/dbraw/zinc/01/12/13/180011213.db2.gz XWMZPZPGPHOPCG-UHFFFAOYSA-N -1 3 229.305 2.221 20 0 BEADHM Cc1ccc(NC(=O)c2cncs2)c([O-])c1 ZINC000219578326 350132053 /nfs/dbraw/zinc/13/20/53/350132053.db2.gz GPQPKWZRNMQZFP-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM Cc1ccc(CN(CCCC(=O)[O-])C2CC2)o1 ZINC000604768892 350185495 /nfs/dbraw/zinc/18/54/95/350185495.db2.gz BZAOUPRYBWCTSV-UHFFFAOYSA-N -1 3 237.299 2.417 20 0 BEADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cccc([O-])c2)O1 ZINC000618565079 350337838 /nfs/dbraw/zinc/33/78/38/350337838.db2.gz NBCRWPKLXZFEAZ-MFKMUULPSA-N -1 3 249.310 2.080 20 0 BEADHM C[C@@H]1CCC[C@H](CNC(=O)c2cccc([O-])c2)O1 ZINC000618565080 350337929 /nfs/dbraw/zinc/33/79/29/350337929.db2.gz NBCRWPKLXZFEAZ-ZWNOBZJWSA-N -1 3 249.310 2.080 20 0 BEADHM Cc1ccc(C(=O)N[C@@]23C[C@@H]2CCC3)c([O-])c1 ZINC000617210382 350374842 /nfs/dbraw/zinc/37/48/42/350374842.db2.gz AXCNFIIEGVPVDO-HZMBPMFUSA-N -1 3 231.295 2.373 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)N[C@]12C[C@H]1CCC2 ZINC000617219001 350389709 /nfs/dbraw/zinc/38/97/09/350389709.db2.gz SUZNNEBBOTXIQY-QMTHXVAHSA-N -1 3 249.285 2.133 20 0 BEADHM Cc1sccc1CN1CCC[C@H]1C(=O)[O-] ZINC000306726551 350896632 /nfs/dbraw/zinc/89/66/32/350896632.db2.gz MDNMOILOOWORKG-JTQLQIEISA-N -1 3 225.313 2.106 20 0 BEADHM O=C(N1CCCc2cccc([O-])c21)C12CC(C1)C2 ZINC000626318351 350961904 /nfs/dbraw/zinc/96/19/04/350961904.db2.gz NLXBMYXWJLNYMZ-UHFFFAOYSA-N -1 3 243.306 2.472 20 0 BEADHM CC[C@@H](NC(=O)c1ccc([O-])c(OC)c1)C1CC1 ZINC000618868907 351888466 /nfs/dbraw/zinc/88/84/66/351888466.db2.gz QRNXJKJIPXQOTM-LLVKDONJSA-N -1 3 249.310 2.319 20 0 BEADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@@H]2C)c1 ZINC000334192618 352783675 /nfs/dbraw/zinc/78/36/75/352783675.db2.gz IDBAPZVQSNHHDD-ZJUUUORDSA-N -1 3 233.311 2.435 20 0 BEADHM Cc1noc(C)c1[N-]C(=O)c1ccoc1 ZINC000334236596 352854586 /nfs/dbraw/zinc/85/45/86/352854586.db2.gz LJPCSWCDQXJKHL-UHFFFAOYSA-N -1 3 206.201 2.137 20 0 BEADHM Cc1ccc(F)c(C(=O)Nc2ncccc2[O-])c1 ZINC000334261475 352893885 /nfs/dbraw/zinc/89/38/85/352893885.db2.gz SYYWULFWZWAQIT-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM O=C(N[C@@H]1CC[C@H](F)C1)c1ccccc1[O-] ZINC000334263213 352896426 /nfs/dbraw/zinc/89/64/26/352896426.db2.gz JJHBMBBMNFOLCR-DTWKUNHWSA-N -1 3 223.247 2.013 20 0 BEADHM CCC1(NC(=O)c2ccc([O-])c(C)c2)CC1 ZINC000296336389 188096813 /nfs/dbraw/zinc/09/68/13/188096813.db2.gz SQXGOLGSCMZGIO-UHFFFAOYSA-N -1 3 219.284 2.373 20 0 BEADHM CCCCCNC(=O)c1cc(OC)ccc1[O-] ZINC000051770491 168713413 /nfs/dbraw/zinc/71/34/13/168713413.db2.gz JNFUYKGNCPYMIF-UHFFFAOYSA-N -1 3 237.299 2.321 20 0 BEADHM CC1=C(C(=O)Nc2ccccc2[O-])CCCO1 ZINC000129265572 188155463 /nfs/dbraw/zinc/15/54/63/188155463.db2.gz SCQZCSQDZZXCRG-UHFFFAOYSA-N -1 3 233.267 2.415 20 0 BEADHM COc1ccc(NC(=O)Cc2ccoc2)c([O-])c1 ZINC000135422583 538115186 /nfs/dbraw/zinc/11/51/86/538115186.db2.gz NGDJZJMQKJVLKL-UHFFFAOYSA-N -1 3 247.250 2.175 20 0 BEADHM COc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC2)c([O-])c1 ZINC000135428826 538115280 /nfs/dbraw/zinc/11/52/80/538115280.db2.gz IJKZWIGTRZRGSK-WDEREUQCSA-N -1 3 247.294 2.385 20 0 BEADHM CC(=O)c1ccc(C(=O)N[C@@H](C)C2CC2)cc1[O-] ZINC000412382394 191280909 /nfs/dbraw/zinc/28/09/09/191280909.db2.gz LVXZXIPIDYXYGA-QMMMGPOBSA-N -1 3 247.294 2.123 20 0 BEADHM CC/C=C\CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412382170 191280968 /nfs/dbraw/zinc/28/09/68/191280968.db2.gz LTAJEBWAXUHRFD-PLNGDYQASA-N -1 3 247.294 2.291 20 0 BEADHM C[C@H]1CCC[C@@H](NC(=O)c2csc(=O)[n-]2)C1 ZINC000332940422 353460361 /nfs/dbraw/zinc/46/03/61/353460361.db2.gz RFYCYXLYHOJAQG-JGVFFNPUSA-N -1 3 240.328 2.157 20 0 BEADHM COC(C)(C)CC(=O)Nc1ccc([O-])cc1F ZINC000230939050 353549500 /nfs/dbraw/zinc/54/95/00/353549500.db2.gz NVJRUZIYXUEGNX-UHFFFAOYSA-N -1 3 241.262 2.285 20 0 BEADHM CC(C)O[N-]C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000529444984 353497575 /nfs/dbraw/zinc/49/75/75/353497575.db2.gz MYOQDXIYHQNBHX-VHSXEESVSA-N -1 3 225.313 2.308 20 0 BEADHM CC[C@@H](C)[C@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000194172695 353627068 /nfs/dbraw/zinc/62/70/68/353627068.db2.gz KTUJITYCKBRKLA-BDAKNGLRSA-N -1 3 246.314 2.122 20 0 BEADHM [O-]c1ccc(CNCC2(F)CC2)cc1F ZINC000308954129 353726385 /nfs/dbraw/zinc/72/63/85/353726385.db2.gz WLPDFWGAANHAEK-UHFFFAOYSA-N -1 3 213.227 2.123 20 0 BEADHM Cc1ccc(F)c(CN(CC(=O)[O-])C(C)C)c1 ZINC000232670454 353752467 /nfs/dbraw/zinc/75/24/67/353752467.db2.gz WTEHSSONSVPYFC-UHFFFAOYSA-N -1 3 239.290 2.429 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CC[C@H]2C2CC2)c1 ZINC000334528110 353903077 /nfs/dbraw/zinc/90/30/77/353903077.db2.gz VBYUZZFLPDVIMN-LBPRGKRZSA-N -1 3 247.294 2.025 20 0 BEADHM O=C([N-]OC1CCC1)[C@@H]1CCCC12CC2 ZINC000529443651 324299668 /nfs/dbraw/zinc/29/96/68/324299668.db2.gz JWHNHNKLTJCYCM-JTQLQIEISA-N -1 3 209.289 2.167 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C(C)(C)C2CC2)n1 ZINC000288461723 188566861 /nfs/dbraw/zinc/56/68/61/188566861.db2.gz IVQPKEKCZQHQDL-UHFFFAOYSA-N -1 3 234.299 2.470 20 0 BEADHM CC(=O)c1ccc(C(=O)N[C@H]2CC2(C)C)cc1[O-] ZINC000334583841 354205450 /nfs/dbraw/zinc/20/54/50/354205450.db2.gz SAKIYKYUNNISOH-LBPRGKRZSA-N -1 3 247.294 2.123 20 0 BEADHM Cc1ccc(CNCc2cnc(C)[n-]c2=O)s1 ZINC000344327276 354224258 /nfs/dbraw/zinc/22/42/58/354224258.db2.gz PAYGSVCKTLJRDB-UHFFFAOYSA-N -1 3 249.339 2.150 20 0 BEADHM Cc1ccsc1C(=O)NCc1ncccc1[O-] ZINC000334617009 354304543 /nfs/dbraw/zinc/30/45/43/354304543.db2.gz BRACIOBYBJJBAP-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM Cc1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000334617101 354304640 /nfs/dbraw/zinc/30/46/40/354304640.db2.gz HHDCWLWROHFEQG-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM CCN(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000344517384 354275796 /nfs/dbraw/zinc/27/57/96/354275796.db2.gz OBUJBNFCESAJEX-UHFFFAOYSA-N -1 3 239.290 2.332 20 0 BEADHM CC[C@@H]1CCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000334645846 354435658 /nfs/dbraw/zinc/43/56/58/354435658.db2.gz NXXDUXQZNYERPY-LLVKDONJSA-N -1 3 247.294 2.219 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)NC1CCCC1 ZINC000334671169 354412700 /nfs/dbraw/zinc/41/27/00/354412700.db2.gz OIQGDMKTIBKDGJ-UHFFFAOYSA-N -1 3 237.274 2.133 20 0 BEADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1C(F)F ZINC000334719346 354518337 /nfs/dbraw/zinc/51/83/37/354518337.db2.gz UHAKZVOXUCHJHO-SNVBAGLBSA-N -1 3 241.237 2.262 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@H]2CC[C@H](C)C2)n1 ZINC000345922790 354827450 /nfs/dbraw/zinc/82/74/50/354827450.db2.gz GJBYNJXYNSVAKC-WPRPVWTQSA-N -1 3 234.299 2.470 20 0 BEADHM C[C@H]1CCCC[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000335145349 354854690 /nfs/dbraw/zinc/85/46/90/354854690.db2.gz AQJRXULMLXTIFO-QWRGUYRKSA-N -1 3 248.326 2.230 20 0 BEADHM Cc1ncc(CN[C@@H](C)c2ccsc2)c(=O)[n-]1 ZINC000346805422 355110472 /nfs/dbraw/zinc/11/04/72/355110472.db2.gz IPIPWQQORQFVEY-QMMMGPOBSA-N -1 3 249.339 2.403 20 0 BEADHM C[C@@H]1[C@H](C(=O)Nc2cc(F)ccc2[O-])C1(F)F ZINC000335802931 355472700 /nfs/dbraw/zinc/47/27/00/355472700.db2.gz DECOLOWGUVFEMU-MLUIRONXSA-N -1 3 245.200 2.371 20 0 BEADHM CC[C@@H](C)CCNC(=O)c1csc(=O)[n-]1 ZINC000617640146 356251037 /nfs/dbraw/zinc/25/10/37/356251037.db2.gz UHNABWDXCMRWOF-SSDOTTSWSA-N -1 3 228.317 2.015 20 0 BEADHM CCn1ccnc1C(=O)Nc1c(C)cccc1[O-] ZINC000336144260 134101596 /nfs/dbraw/zinc/10/15/96/134101596.db2.gz XSFOQUJTBVVPTD-UHFFFAOYSA-N -1 3 245.282 2.169 20 0 BEADHM Cc1noc([N-]C(=O)c2csc(Cl)c2)n1 ZINC000190125290 356432622 /nfs/dbraw/zinc/43/26/22/356432622.db2.gz QODLTIJXIHUSPP-UHFFFAOYSA-N -1 3 243.675 2.345 20 0 BEADHM COc1cc(C(=O)N2CC[C@@H]2C(C)C)ccc1[O-] ZINC000336171232 134115270 /nfs/dbraw/zinc/11/52/70/134115270.db2.gz TWEPWSBNCZGNTP-LLVKDONJSA-N -1 3 249.310 2.271 20 0 BEADHM Cc1cccc(-c2nc(-c3ccon3)no2)c1[O-] ZINC000350569866 366299385 /nfs/dbraw/zinc/29/93/85/366299385.db2.gz UIGBSMUCKAYRKI-UHFFFAOYSA-N -1 3 243.222 2.406 20 0 BEADHM [O-]c1ccccc1-c1nc(-c2ccon2)no1 ZINC000350570978 366300169 /nfs/dbraw/zinc/30/01/69/366300169.db2.gz WJLCUQKTQYPJIB-UHFFFAOYSA-N -1 3 229.195 2.097 20 0 BEADHM CC[C@@H](O)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000450294227 202122330 /nfs/dbraw/zinc/12/23/30/202122330.db2.gz MCXQKZBEQPNSNV-MRVPVSSYSA-N -1 3 243.690 2.145 20 0 BEADHM CC(=O)c1[n-]c(=N[C@@H](C)C2CC2)sc1C ZINC000450246555 202107482 /nfs/dbraw/zinc/10/74/82/202107482.db2.gz REQIFOOSOUONQF-LURJTMIESA-N -1 3 224.329 2.286 20 0 BEADHM CC(=O)c1[n-]c(=N[C@@H]2CC2(C)C)sc1C ZINC000450269804 202116910 /nfs/dbraw/zinc/11/69/10/202116910.db2.gz OLVHMMCQZXWLLJ-MRVPVSSYSA-N -1 3 224.329 2.286 20 0 BEADHM O=C(Nc1cccc(O)c1F)c1ccccc1[O-] ZINC000180019098 366355353 /nfs/dbraw/zinc/35/53/53/366355353.db2.gz DJJCRZVELNGJTM-UHFFFAOYSA-N -1 3 247.225 2.489 20 0 BEADHM CC[C@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000623345692 356751919 /nfs/dbraw/zinc/75/19/19/356751919.db2.gz NYNAOHYDVIOVCR-VIFPVBQESA-N -1 3 207.273 2.229 20 0 BEADHM CO[C@@H]1CCC[C@H]1[N-]c1nc(C(C)C)no1 ZINC000132509526 325222114 /nfs/dbraw/zinc/22/21/14/325222114.db2.gz XXXAUPMJSFHCJU-RKDXNWHRSA-N -1 3 225.292 2.172 20 0 BEADHM CC(C)OCCC[S@@](=O)c1cccc([O-])c1 ZINC000191200402 357756004 /nfs/dbraw/zinc/75/60/04/357756004.db2.gz VTFJCCADFFYCAN-MRXNPFEDSA-N -1 3 242.340 2.315 20 0 BEADHM COC1CC(C(=O)Nc2ccc(C)cc2[O-])C1 ZINC000623416226 357830687 /nfs/dbraw/zinc/83/06/87/357830687.db2.gz OBWXYZVEXXRBFX-UHFFFAOYSA-N -1 3 235.283 2.064 20 0 BEADHM CC[C@@]1(C)CCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000399283655 357901179 /nfs/dbraw/zinc/90/11/79/357901179.db2.gz CGEVQMCTOVWYQG-AWEZNQCLSA-N -1 3 248.326 2.402 20 0 BEADHM COc1ccc(C(=O)N(C)[C@@H](C)C2CC2)c([O-])c1 ZINC000035207591 357968694 /nfs/dbraw/zinc/96/86/94/357968694.db2.gz MLPVUCPYCIFFSV-VIFPVBQESA-N -1 3 249.310 2.271 20 0 BEADHM CCN(Cc1cc(C)c(C(=O)[O-])o1)C1CC1 ZINC000036812827 358052936 /nfs/dbraw/zinc/05/29/36/358052936.db2.gz IAHXKHGCBQSAJL-UHFFFAOYSA-N -1 3 223.272 2.271 20 0 BEADHM CC[C@@H](C)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000037110560 358066112 /nfs/dbraw/zinc/06/61/12/358066112.db2.gz KWOJVZXYSMVLMF-MRVPVSSYSA-N -1 3 211.261 2.208 20 0 BEADHM CC[C@H](C)N(C)Cc1ccoc1C(=O)[O-] ZINC000037110541 358066400 /nfs/dbraw/zinc/06/64/00/358066400.db2.gz NLVNZPQSVPZGMN-QMMMGPOBSA-N -1 3 211.261 2.208 20 0 BEADHM Cc1cc(CN2CCC[C@H]2C)oc1C(=O)[O-] ZINC000037911381 358097521 /nfs/dbraw/zinc/09/75/21/358097521.db2.gz IRXCHRRNKNIMJO-SECBINFHSA-N -1 3 223.272 2.271 20 0 BEADHM Cc1oc(CN2CC[C@H](C)C2)cc1C(=O)[O-] ZINC000040718701 358245579 /nfs/dbraw/zinc/24/55/79/358245579.db2.gz IZRDTGPSRXLFGI-QMMMGPOBSA-N -1 3 223.272 2.128 20 0 BEADHM CC(C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC000227507911 358359369 /nfs/dbraw/zinc/35/93/69/358359369.db2.gz VLUXUTYGDMEYLX-UHFFFAOYSA-N -1 3 219.284 2.311 20 0 BEADHM CN(Cc1cscn1)C(=O)c1cccc([O-])c1 ZINC000042869304 358531276 /nfs/dbraw/zinc/53/12/76/358531276.db2.gz NBJKELVOCQUIMF-UHFFFAOYSA-N -1 3 248.307 2.121 20 0 BEADHM CCO[N-]C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000175086832 134284591 /nfs/dbraw/zinc/28/45/91/134284591.db2.gz CRSOLJWXGFVHGD-HIFRSBDPSA-N -1 3 245.322 2.348 20 0 BEADHM CC[C@H](c1ccc(F)cc1F)N(C)CC(=O)[O-] ZINC000130152035 358610541 /nfs/dbraw/zinc/61/05/41/358610541.db2.gz QDZOWBPYERPDOP-LLVKDONJSA-N -1 3 243.253 2.432 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H](C)C2)c1 ZINC000132930943 358740389 /nfs/dbraw/zinc/74/03/89/358740389.db2.gz NHBLYGHMIMULRV-NXEZZACHSA-N -1 3 249.310 2.319 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H](C)C2)c1 ZINC000132931144 358740458 /nfs/dbraw/zinc/74/04/58/358740458.db2.gz NHBLYGHMIMULRV-VHSXEESVSA-N -1 3 249.310 2.319 20 0 BEADHM CN(Cc1ccoc1C(=O)[O-])[C@H]1CC1(C)C ZINC000578242047 366467815 /nfs/dbraw/zinc/46/78/15/366467815.db2.gz HIBQXAVHZNPDTB-VIFPVBQESA-N -1 3 223.272 2.208 20 0 BEADHM CC[C@H](C)CCc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351375171 366519743 /nfs/dbraw/zinc/51/97/43/366519743.db2.gz RSDAPMKZOMFEPA-QMMMGPOBSA-N -1 3 248.286 2.211 20 0 BEADHM Cc1cc(=O)[n-]c([C@H](C)N2OC3CCC2CC3)n1 ZINC000640230167 358943328 /nfs/dbraw/zinc/94/33/28/358943328.db2.gz LMZMOAGUPSQHKG-WHXUTIOJSA-N -1 3 249.314 2.110 20 0 BEADHM Cc1cccnc1CNC(=O)c1cccc([O-])c1 ZINC000071345322 359076674 /nfs/dbraw/zinc/07/66/74/359076674.db2.gz SSSSTMAMNARKCJ-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM CSCCCC(=O)Nc1ccccc1[O-] ZINC000071530240 359080728 /nfs/dbraw/zinc/08/07/28/359080728.db2.gz LIFWDKFSJCDMQH-UHFFFAOYSA-N -1 3 225.313 2.474 20 0 BEADHM O=C([N-]c1c(F)cccc1F)c1ccncn1 ZINC000074730716 359126344 /nfs/dbraw/zinc/12/63/44/359126344.db2.gz YDCQDHWXQCDOSM-UHFFFAOYSA-N -1 3 235.193 2.007 20 0 BEADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H](C)C2)n1 ZINC000247737548 359243393 /nfs/dbraw/zinc/24/33/93/359243393.db2.gz VRPXKROZAPNDBK-MWLCHTKSSA-N -1 3 235.331 2.284 20 0 BEADHM Cc1cccc([O-])c1C(=O)N1[C@H](C)C[C@H]1C ZINC000626726600 359584670 /nfs/dbraw/zinc/58/46/70/359584670.db2.gz VEGHJQBMNOVITM-NXEZZACHSA-N -1 3 219.284 2.324 20 0 BEADHM O=C(Nc1c([O-])cccc1Cl)C1=COCC1 ZINC001641532885 1172258676 /nfs/dbraw/zinc/25/86/76/1172258676.db2.gz ZSLZBMBHIPDYRF-UHFFFAOYSA-N -1 3 239.658 2.288 20 0 BEADHM C[C@@H]1CCCC[C@H]1NC(=O)Cc1cncc([O-])c1 ZINC000578564112 366599999 /nfs/dbraw/zinc/59/99/99/366599999.db2.gz HCGYANANNHMCRW-ZWNOBZJWSA-N -1 3 248.326 2.025 20 0 BEADHM CCc1cccc(C(=O)N[C@@H]2CC[C@@H]2C)c1[O-] ZINC000578782004 366647866 /nfs/dbraw/zinc/64/78/66/366647866.db2.gz ZPQXTGIZSJEQKS-JOYOIKCWSA-N -1 3 233.311 2.483 20 0 BEADHM CCc1oc(C(=O)[O-])cc1CN(C)C1CC1 ZINC000578899690 366671231 /nfs/dbraw/zinc/67/12/31/366671231.db2.gz YMNAABFFNQOWDY-UHFFFAOYSA-N -1 3 223.272 2.134 20 0 BEADHM COc1ncccc1NCc1nc(C)ccc1[O-] ZINC000091994061 360145028 /nfs/dbraw/zinc/14/50/28/360145028.db2.gz PYYLXMOSRYIRNA-UHFFFAOYSA-N -1 3 245.282 2.111 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCC2(C)C)n1 ZINC000614164278 363727812 /nfs/dbraw/zinc/72/78/12/363727812.db2.gz LWWWLPXSZJZBLT-VIFPVBQESA-N -1 3 234.299 2.470 20 0 BEADHM NC(=O)c1cccc(-c2ccc([O-])cc2F)c1 ZINC000065340860 181302065 /nfs/dbraw/zinc/30/20/65/181302065.db2.gz MURIBYADIVSFCS-UHFFFAOYSA-N -1 3 231.226 2.297 20 0 BEADHM Cc1cccc([O-])c1C(=O)NCC1CC=CC1 ZINC000628541934 360547187 /nfs/dbraw/zinc/54/71/87/360547187.db2.gz RJFIOMNFUKFLIM-UHFFFAOYSA-N -1 3 231.295 2.397 20 0 BEADHM CCC(F)(F)CNC(=O)c1ccc([O-])c(C)c1 ZINC000628840994 360693471 /nfs/dbraw/zinc/69/34/71/360693471.db2.gz HXPBSGKMJXPILR-UHFFFAOYSA-N -1 3 243.253 2.476 20 0 BEADHM Cc1cccc([O-])c1C(=O)N(C1CC1)C1CC1 ZINC000628813914 360676167 /nfs/dbraw/zinc/67/61/67/360676167.db2.gz SQBBJXYZCIESEZ-UHFFFAOYSA-N -1 3 231.295 2.468 20 0 BEADHM CCCn1c(=O)[n-]nc1SC[C@@H]1C[C@H]1C ZINC000629096740 360876483 /nfs/dbraw/zinc/87/64/83/360876483.db2.gz TVPAVEYFTVFKGD-SFYZADRCSA-N -1 3 227.333 2.142 20 0 BEADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC1 ZINC000068541327 360995221 /nfs/dbraw/zinc/99/52/21/360995221.db2.gz KCIADQXFOZNZQZ-UHFFFAOYSA-N -1 3 231.295 2.117 20 0 BEADHM O=C(CCC1CCC1)Nc1cccc2n[n-]nc21 ZINC000640380425 361190022 /nfs/dbraw/zinc/19/00/22/361190022.db2.gz RLMIAXQLFHNUQE-UHFFFAOYSA-N -1 3 244.298 2.477 20 0 BEADHM C[C@H]1CC[C@@H](C(=O)Nc2cccc3n[n-]nc32)C1 ZINC000640380129 361190433 /nfs/dbraw/zinc/19/04/33/361190433.db2.gz NRWILKGJNTYBPV-DTWKUNHWSA-N -1 3 244.298 2.333 20 0 BEADHM CCOc1ncccc1C(=O)[N-]c1conc1C ZINC000640490620 361284951 /nfs/dbraw/zinc/28/49/51/361284951.db2.gz BHUJUIMQMIZKGK-UHFFFAOYSA-N -1 3 247.254 2.029 20 0 BEADHM Cc1nc(C)c(C(=O)[N-]c2conc2C)s1 ZINC000640491550 361286373 /nfs/dbraw/zinc/28/63/73/361286373.db2.gz JEBNNMFIAIJVSO-UHFFFAOYSA-N -1 3 237.284 2.309 20 0 BEADHM Cc1oc(C(=O)[O-])cc1CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000380379969 361298542 /nfs/dbraw/zinc/29/85/42/361298542.db2.gz NRVCTTHQACORBZ-PHIMTYICSA-N -1 3 249.310 2.374 20 0 BEADHM O=C([O-])CCN1Cc2ccccc2C2(CC2)C1 ZINC000580509007 361377309 /nfs/dbraw/zinc/37/73/09/361377309.db2.gz KRYHAVJQOOPDGK-UHFFFAOYSA-N -1 3 231.295 2.009 20 0 BEADHM COc1ccc(C(=O)Nc2ccccc2[O-])nc1 ZINC000436628260 201334770 /nfs/dbraw/zinc/33/47/70/201334770.db2.gz XWQSWHQBHNFVJT-UHFFFAOYSA-N -1 3 244.250 2.048 20 0 BEADHM Cc1cccc(C(=O)N[C@H](C)c2ccon2)c1[O-] ZINC000436763842 201335561 /nfs/dbraw/zinc/33/55/61/201335561.db2.gz IHGRNXOXDUCEIQ-SECBINFHSA-N -1 3 246.266 2.180 20 0 BEADHM CCCCN(C)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436860217 201337626 /nfs/dbraw/zinc/33/76/26/201337626.db2.gz MXVYULYKCVUCRK-UHFFFAOYSA-N -1 3 249.310 2.467 20 0 BEADHM Cc1ccc(C(=O)N2COCC2(C)C)c([O-])c1C ZINC000614432079 363817487 /nfs/dbraw/zinc/81/74/87/363817487.db2.gz ONYATHCTVQILRZ-UHFFFAOYSA-N -1 3 249.310 2.218 20 0 BEADHM CSc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2C)c1 ZINC000614604184 363908606 /nfs/dbraw/zinc/90/86/06/363908606.db2.gz WKAMWYNLRRFVTK-GMSGAONNSA-N -1 3 237.324 2.252 20 0 BEADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)CF)c1 ZINC000614886665 364033601 /nfs/dbraw/zinc/03/36/01/364033601.db2.gz SEJYDTVZHZRLEM-ZETCQYMHSA-N -1 3 243.303 2.202 20 0 BEADHM C[C@@H](NC(=O)c1cc(F)c[n-]c1=O)C(C)(C)C ZINC000622126962 370725067 /nfs/dbraw/zinc/72/50/67/370725067.db2.gz MOQZFJHZDRRIKK-SSDOTTSWSA-N -1 3 240.278 2.091 20 0 BEADHM O=C(NCCCC1CCC1)c1c([O-])cccc1O ZINC000622171321 370746269 /nfs/dbraw/zinc/74/62/69/370746269.db2.gz GTULCODZMOGYFE-UHFFFAOYSA-N -1 3 249.310 2.408 20 0 BEADHM CCc1onc(C)c1C(=O)[N-]c1ccncc1F ZINC000181833358 366850746 /nfs/dbraw/zinc/85/07/46/366850746.db2.gz ZZVUBTLLEIJXNS-UHFFFAOYSA-N -1 3 249.245 2.332 20 0 BEADHM O=C(Nc1ccccc1[O-])[C@]12CCC[C@H]1OCC2 ZINC000630795264 364562306 /nfs/dbraw/zinc/56/23/06/364562306.db2.gz BXAVBNXQKBBQKO-OCCSQVGLSA-N -1 3 247.294 2.290 20 0 BEADHM COc1ccc(NC(=O)C2CCC2)c([O-])c1 ZINC000135401942 541364495 /nfs/dbraw/zinc/36/44/95/541364495.db2.gz LXSONIKIGHEPSC-UHFFFAOYSA-N -1 3 221.256 2.139 20 0 BEADHM CCN(C(=O)c1csc(=O)[n-]1)[C@H](C)C(C)C ZINC000573624804 364877868 /nfs/dbraw/zinc/87/78/68/364877868.db2.gz VZPNPDBZBGFEDK-MRVPVSSYSA-N -1 3 242.344 2.355 20 0 BEADHM CC(=O)c1cccc(CN(C)[C@H](C)CC(=O)[O-])c1 ZINC000575430531 365320026 /nfs/dbraw/zinc/32/00/26/365320026.db2.gz BQASCLRCFGTBRM-SNVBAGLBSA-N -1 3 249.310 2.184 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])c1cccnc1 ZINC000174871952 365518142 /nfs/dbraw/zinc/51/81/42/365518142.db2.gz SPVBUAKALMEMOD-UHFFFAOYSA-N -1 3 232.214 2.179 20 0 BEADHM O=C(Cc1cccnc1)Nc1cc(F)ccc1[O-] ZINC000174892876 365519075 /nfs/dbraw/zinc/51/90/75/365519075.db2.gz MKUCECIWSGOWBU-UHFFFAOYSA-N -1 3 246.241 2.108 20 0 BEADHM CSCCC(=O)Nc1cc(F)ccc1[O-] ZINC000174903157 365520497 /nfs/dbraw/zinc/52/04/97/365520497.db2.gz JZPNCUNTRMCKEG-UHFFFAOYSA-N -1 3 229.276 2.223 20 0 BEADHM C[C@@H]1CC[C@H](C)N1C(=O)c1cccc([O-])c1 ZINC000182598918 366920671 /nfs/dbraw/zinc/92/06/71/366920671.db2.gz WFQCXPYJVNQTCY-AOOOYVTPSA-N -1 3 219.284 2.405 20 0 BEADHM CC(C)CCCNC(=O)c1cccc2nn[n-]c21 ZINC000182705671 366933981 /nfs/dbraw/zinc/93/39/81/366933981.db2.gz QRPFDFVDOBOSRE-UHFFFAOYSA-N -1 3 246.314 2.124 20 0 BEADHM CC(C)CCCNC(=O)c1cccc2[n-]nnc21 ZINC000182705671 366933984 /nfs/dbraw/zinc/93/39/84/366933984.db2.gz QRPFDFVDOBOSRE-UHFFFAOYSA-N -1 3 246.314 2.124 20 0 BEADHM CC(C)CCCNC(=O)c1cccc2n[n-]nc21 ZINC000182705671 366933987 /nfs/dbraw/zinc/93/39/87/366933987.db2.gz QRPFDFVDOBOSRE-UHFFFAOYSA-N -1 3 246.314 2.124 20 0 BEADHM Cc1ocnc1C(=O)Nc1c(C)cccc1[O-] ZINC000183026919 366966765 /nfs/dbraw/zinc/96/67/65/366966765.db2.gz QFHPINUCXCDUPI-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM CC[C@@H](C)CN(C)C(=O)c1cccc2[n-]nnc21 ZINC000183599089 367031990 /nfs/dbraw/zinc/03/19/90/367031990.db2.gz IWNMVXNIXBYCHB-SECBINFHSA-N -1 3 246.314 2.076 20 0 BEADHM CC[C@@H](C)CN(C)C(=O)c1cccc2nn[n-]c21 ZINC000183599089 367031999 /nfs/dbraw/zinc/03/19/99/367031999.db2.gz IWNMVXNIXBYCHB-SECBINFHSA-N -1 3 246.314 2.076 20 0 BEADHM CC[C@@H](C)CN(C)C(=O)c1cccc2n[n-]nc21 ZINC000183599089 367032003 /nfs/dbraw/zinc/03/20/03/367032003.db2.gz IWNMVXNIXBYCHB-SECBINFHSA-N -1 3 246.314 2.076 20 0 BEADHM [O-]c1ccc(CNc2cnc(F)cn2)cc1F ZINC001642309851 1172344534 /nfs/dbraw/zinc/34/45/34/1172344534.db2.gz NUDBKKQCOZQKMN-UHFFFAOYSA-N -1 3 237.209 2.073 20 0 BEADHM CC1(C)[C@@H]2CN(Cc3cc(C(=O)[O-])co3)C[C@@H]21 ZINC000380466877 367212932 /nfs/dbraw/zinc/21/29/32/367212932.db2.gz UUHPRFHJCROEET-PHIMTYICSA-N -1 3 235.283 2.066 20 0 BEADHM C[C@@H]1CCN(c2ccncc2C(=O)[O-])[C@H]1C ZINC000380562505 367244001 /nfs/dbraw/zinc/24/40/01/367244001.db2.gz VZRTXAGFMKYZDV-BDAKNGLRSA-N -1 3 220.272 2.015 20 0 BEADHM O=C([O-])[C@@H](C1CC1)N1CCc2cccc(F)c2C1 ZINC000581078540 367257707 /nfs/dbraw/zinc/25/77/07/367257707.db2.gz WMLVWOLXELVKBF-CYBMUJFWSA-N -1 3 249.285 2.047 20 0 BEADHM CCO[N-]C(=O)CCCOCc1ccccc1 ZINC000065095507 368618234 /nfs/dbraw/zinc/61/82/34/368618234.db2.gz ATXWJPCZUROVIF-UHFFFAOYSA-N -1 3 237.299 2.051 20 0 BEADHM CCO[C@@H](CC)C(=O)[N-]c1onc(C)c1C ZINC000572580351 326120030 /nfs/dbraw/zinc/12/00/30/326120030.db2.gz RLCGTJJPAHJXDI-VIFPVBQESA-N -1 3 226.276 2.045 20 0 BEADHM C[C@H]1CN(CCCCCC(=O)[O-])CC(C)(C)O1 ZINC000083679571 368803171 /nfs/dbraw/zinc/80/31/71/368803171.db2.gz BOUYQCBXPIDLTP-NSHDSACASA-N -1 3 243.347 2.131 20 0 BEADHM CCCC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616019978 368891387 /nfs/dbraw/zinc/89/13/87/368891387.db2.gz HVRIZZJFPOLWSL-UHFFFAOYSA-N -1 3 244.294 2.357 20 0 BEADHM CC1(C)CCN(Cc2occc2C(=O)[O-])C1 ZINC000087256536 368891446 /nfs/dbraw/zinc/89/14/46/368891446.db2.gz CIICVSXMIOJZFX-UHFFFAOYSA-N -1 3 223.272 2.210 20 0 BEADHM CC(C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616020325 368892661 /nfs/dbraw/zinc/89/26/61/368892661.db2.gz KJDLUBDCDYDNAN-UHFFFAOYSA-N -1 3 244.294 2.213 20 0 BEADHM CN(Cc1ccccc1F)[C@@H](C(=O)[O-])C1CC1 ZINC000088795814 368928942 /nfs/dbraw/zinc/92/89/42/368928942.db2.gz XIYCEUYZPKHIJJ-GFCCVEGCSA-N -1 3 237.274 2.121 20 0 BEADHM CC(C)O[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000457861183 203113132 /nfs/dbraw/zinc/11/31/32/203113132.db2.gz UGUFAUQGIIEIEE-PHIMTYICSA-N -1 3 249.310 2.078 20 0 BEADHM COc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2C(C)C)c1 ZINC000458131022 203138033 /nfs/dbraw/zinc/13/80/33/203138033.db2.gz QRCJUPZHCQRMEF-CMPLNLGQSA-N -1 3 249.310 2.175 20 0 BEADHM Cc1c(F)cccc1C(=O)Nc1ncccc1[O-] ZINC000622504850 370968085 /nfs/dbraw/zinc/96/80/85/370968085.db2.gz CLCVITVFEPTXRV-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM O=C(NCC1=CCCC1)c1ccccc1[O-] ZINC000620003727 369658726 /nfs/dbraw/zinc/65/87/26/369658726.db2.gz NZCCVMFHJLYYBP-UHFFFAOYSA-N -1 3 217.268 2.232 20 0 BEADHM CC(C)CC1(NC(=O)c2ccc(O)cc2[O-])CC1 ZINC000620283833 369800277 /nfs/dbraw/zinc/80/02/77/369800277.db2.gz RLPMNOVZIVXRDG-UHFFFAOYSA-N -1 3 249.310 2.406 20 0 BEADHM O=C([N-]c1ccc(F)c(F)c1F)c1cocn1 ZINC000074695595 370004725 /nfs/dbraw/zinc/00/47/25/370004725.db2.gz PVIPQPGSZWLSSQ-UHFFFAOYSA-N -1 3 242.156 2.344 20 0 BEADHM CCc1cc(N2CCC[C@@H]2CC(=O)[O-])ccn1 ZINC000307796966 370046413 /nfs/dbraw/zinc/04/64/13/370046413.db2.gz XSLVWBWMAIJFMP-LLVKDONJSA-N -1 3 234.299 2.088 20 0 BEADHM COc1ccc(C(=O)N2CC3CC2(C)C3)c([O-])c1 ZINC000621211239 370152344 /nfs/dbraw/zinc/15/23/44/370152344.db2.gz ZWUPPAIIFACPJW-UHFFFAOYSA-N -1 3 247.294 2.025 20 0 BEADHM Cc1ccc([O-])c(C(=O)N2CC3CC2(C)C3)c1 ZINC000621210768 370152367 /nfs/dbraw/zinc/15/23/67/370152367.db2.gz FFSFQXNGQPWSFU-UHFFFAOYSA-N -1 3 231.295 2.325 20 0 BEADHM CC1CC(C[N-]S(=O)(=O)c2cccs2)C1 ZINC000621313978 370239311 /nfs/dbraw/zinc/23/93/11/370239311.db2.gz DWYUXZKFNOZMCP-UHFFFAOYSA-N -1 3 245.369 2.073 20 0 BEADHM CC(C)[C@H](C)N(C)C(=O)c1cc(F)c[n-]c1=O ZINC000621558947 370387949 /nfs/dbraw/zinc/38/79/49/370387949.db2.gz VLVWYESMUZHLHM-QMMMGPOBSA-N -1 3 240.278 2.043 20 0 BEADHM CC(C)[C@@H](C)N(C)C(=O)c1cc(F)c[n-]c1=O ZINC000621558946 370387990 /nfs/dbraw/zinc/38/79/90/370387990.db2.gz VLVWYESMUZHLHM-MRVPVSSYSA-N -1 3 240.278 2.043 20 0 BEADHM CN(CC(C)(C)C)C(=O)c1cc(F)c[n-]c1=O ZINC000621831794 370555053 /nfs/dbraw/zinc/55/50/53/370555053.db2.gz XCEHGSODGAZWAG-UHFFFAOYSA-N -1 3 240.278 2.044 20 0 BEADHM CO[C@H](C(=O)[N-]c1onc(C)c1C)C1CCC1 ZINC000621887166 370581159 /nfs/dbraw/zinc/58/11/59/370581159.db2.gz RVLKDGIUEFBUNJ-JTQLQIEISA-N -1 3 238.287 2.045 20 0 BEADHM CCCOCc1nc(=O)c2c(C)csc2[n-]1 ZINC000070694410 371059503 /nfs/dbraw/zinc/05/95/03/371059503.db2.gz OWGGCHKTHMXFDN-UHFFFAOYSA-N -1 3 238.312 2.220 20 0 BEADHM CCC[C@@H](C)S(=O)(=O)[N-][C@@H](CC)C(F)F ZINC000569107675 326389728 /nfs/dbraw/zinc/38/97/28/326389728.db2.gz BUWZOVZCTNUEGN-SFYZADRCSA-N -1 3 243.319 2.138 20 0 BEADHM Cc1cccc([O-])c1C(=O)NCC[C@H](C)F ZINC000627535838 371690074 /nfs/dbraw/zinc/69/00/74/371690074.db2.gz YUEWOLJOHITBIK-VIFPVBQESA-N -1 3 225.263 2.179 20 0 BEADHM CC[C@@H]1C[C@H]1CNC(=O)c1c(C)cccc1[O-] ZINC000627622952 371789605 /nfs/dbraw/zinc/78/96/05/371789605.db2.gz HJYAIQCBTUBBQD-MNOVXSKESA-N -1 3 233.311 2.477 20 0 BEADHM C[C@H]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000227450955 371865538 /nfs/dbraw/zinc/86/55/38/371865538.db2.gz LBFSWDVPMCCKJN-YUMQZZPRSA-N -1 3 223.238 2.491 20 0 BEADHM C[C@@H]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000227450948 371866677 /nfs/dbraw/zinc/86/66/77/371866677.db2.gz LBFSWDVPMCCKJN-SFYZADRCSA-N -1 3 223.238 2.491 20 0 BEADHM Cc1ccncc1CNC(=O)c1ccccc1[O-] ZINC000163019462 371911119 /nfs/dbraw/zinc/91/11/19/371911119.db2.gz CLQOLSFSJVDFOT-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM COc1ccc(C(=O)NC[C@@H](C)C2CC2)c([O-])c1 ZINC000132752600 371913790 /nfs/dbraw/zinc/91/37/90/371913790.db2.gz ZLVPTQCHTBBNQJ-SECBINFHSA-N -1 3 249.310 2.177 20 0 BEADHM Cc1cccc([O-])c1NC(=O)CC1CSC1 ZINC000632264893 372845605 /nfs/dbraw/zinc/84/56/05/372845605.db2.gz GYFXISYAWFGPPB-UHFFFAOYSA-N -1 3 237.324 2.392 20 0 BEADHM O=C(C[C@@H]1C=CCCC1)Nc1ncccc1[O-] ZINC000187877576 182016265 /nfs/dbraw/zinc/01/62/65/182016265.db2.gz YFOJGFIPBYEKFR-SNVBAGLBSA-N -1 3 232.283 2.472 20 0 BEADHM O=C(C[C@@H]1C=CCC1)[N-]OCCC(F)(F)F ZINC000155010149 182014143 /nfs/dbraw/zinc/01/41/43/182014143.db2.gz YJWJBMIVLPUKHL-MRVPVSSYSA-N -1 3 237.221 2.343 20 0 BEADHM O=C(C[C@H]1C=CCC1)[N-]OC1CCCC1 ZINC000271643110 182024605 /nfs/dbraw/zinc/02/46/05/182024605.db2.gz BKKXGACVBVMDLB-JTQLQIEISA-N -1 3 209.289 2.333 20 0 BEADHM O=C(C[C@H]1CCCCO1)[N-]OCc1ccccc1 ZINC000087005665 182027614 /nfs/dbraw/zinc/02/76/14/182027614.db2.gz JRQRWAQUWFCMEP-CYBMUJFWSA-N -1 3 249.310 2.194 20 0 BEADHM O=C(Cc1ccc(F)cc1)Nc1ccncc1[O-] ZINC000109890437 182036550 /nfs/dbraw/zinc/03/65/50/182036550.db2.gz UYONEXVEFZRPFS-UHFFFAOYSA-N -1 3 246.241 2.108 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC12CCC2 ZINC000336227984 182036850 /nfs/dbraw/zinc/03/68/50/182036850.db2.gz RBIKLDPDJASXTA-UHFFFAOYSA-N -1 3 249.285 2.229 20 0 BEADHM O=C([N-]CC(F)F)C(F)(F)c1ccccc1 ZINC000073156951 182124515 /nfs/dbraw/zinc/12/45/15/182124515.db2.gz MVPJHLQSPUMKON-UHFFFAOYSA-N -1 3 235.180 2.160 20 0 BEADHM O=C(NCC1CC(F)(F)C1)c1ccccc1[O-] ZINC000293845277 182135580 /nfs/dbraw/zinc/13/55/80/182135580.db2.gz BGBZAJAGBADPMV-UHFFFAOYSA-N -1 3 241.237 2.167 20 0 BEADHM O=C(NCC1=CCCCC1)c1c([O-])cccc1O ZINC000295878182 182134637 /nfs/dbraw/zinc/13/46/37/182134637.db2.gz VNFUIUOUYDJIGZ-UHFFFAOYSA-N -1 3 247.294 2.328 20 0 BEADHM O=C(N[C@@]12C[C@@H]1CCCC2)c1ccccc1[O-] ZINC000634081006 373945749 /nfs/dbraw/zinc/94/57/49/373945749.db2.gz LTKCMWQGSBEIOF-HZMBPMFUSA-N -1 3 231.295 2.455 20 0 BEADHM O=C(NCc1ccc([O-])c(F)c1)C1[C@@H]2CCC[C@H]12 ZINC000177726541 182251697 /nfs/dbraw/zinc/25/16/97/182251697.db2.gz DHSPJQQULRRHFU-HWYHXSKPSA-N -1 3 249.285 2.194 20 0 BEADHM O=C([N-]OCC1CC1)c1cc(F)c(F)cc1F ZINC000293791341 182282035 /nfs/dbraw/zinc/28/20/35/182282035.db2.gz OQQOBSCTVBSTIO-UHFFFAOYSA-N -1 3 245.200 2.175 20 0 BEADHM O=C([N-]OCC1CC1)c1c(F)cccc1F ZINC000293807594 182282142 /nfs/dbraw/zinc/28/21/42/182282142.db2.gz QEBKZEGRNNARBV-UHFFFAOYSA-N -1 3 227.210 2.036 20 0 BEADHM O=C([N-]OCC1CC1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000293809919 182282323 /nfs/dbraw/zinc/28/23/23/182282323.db2.gz QMVYRWRMTCGGII-CHWSQXEVSA-N -1 3 249.285 2.387 20 0 BEADHM O=C(N[C@@H]1CC12CCCC2)c1cccc([O-])c1 ZINC000336117507 182290364 /nfs/dbraw/zinc/29/03/64/182290364.db2.gz OOKYKFUQQVSHTO-GFCCVEGCSA-N -1 3 231.295 2.455 20 0 BEADHM O=C([N-][C@@H]1CCOc2ccc(F)cc21)C(F)F ZINC000194592638 182306653 /nfs/dbraw/zinc/30/66/53/182306653.db2.gz NVQLCZCZUOQCCT-MRVPVSSYSA-N -1 3 245.200 2.031 20 0 BEADHM O=C([N-][C@@H]1CCc2cc(F)ccc21)C(F)F ZINC000278384544 182312319 /nfs/dbraw/zinc/31/23/19/182312319.db2.gz DEEQWQQAMFEAHU-SECBINFHSA-N -1 3 229.201 2.194 20 0 BEADHM O=C([N-]c1ccc(F)cc1F)c1csnn1 ZINC000041611931 182356265 /nfs/dbraw/zinc/35/62/65/182356265.db2.gz KRVIJNCDQVYOND-UHFFFAOYSA-N -1 3 241.222 2.069 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCOC1 ZINC000049342303 182348187 /nfs/dbraw/zinc/34/81/87/182348187.db2.gz ATQMLOXNUPSLPW-SSDOTTSWSA-N -1 3 241.674 2.021 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CC1(F)F ZINC000295126867 182350169 /nfs/dbraw/zinc/35/01/69/182350169.db2.gz HPNUQWNLWDKOEU-ZCFIWIBFSA-N -1 3 231.173 2.125 20 0 BEADHM O=C([N-]c1ccncc1F)c1ocnc1C1CC1 ZINC000289087629 182387848 /nfs/dbraw/zinc/38/78/48/182387848.db2.gz BHHACOYXCYAFBY-UHFFFAOYSA-N -1 3 247.229 2.338 20 0 BEADHM O=C(Nc1ncccc1[O-])[C@H]1CCCCS1 ZINC000273131561 182399851 /nfs/dbraw/zinc/39/98/51/182399851.db2.gz UZIVEHKQHZUIGL-SECBINFHSA-N -1 3 238.312 2.011 20 0 BEADHM O=C(Nc1ncccc1[O-])C12CCC(CC1)C2 ZINC000336330104 182399900 /nfs/dbraw/zinc/39/99/00/182399900.db2.gz CPAWQSBKRYKELN-UHFFFAOYSA-N -1 3 232.283 2.306 20 0 BEADHM O=C(c1ccc(O)cc1[O-])N1CC[C@H]2CCC[C@H]21 ZINC000334250156 182663318 /nfs/dbraw/zinc/66/33/18/182663318.db2.gz YZXVYLIWGNSFEV-BXKDBHETSA-N -1 3 247.294 2.112 20 0 BEADHM OC[C@H]([N-]c1nnc(C2CC2)o1)c1ccccc1 ZINC000278445090 183142434 /nfs/dbraw/zinc/14/24/34/183142434.db2.gz RACLENPGLIPTKU-NSHDSACASA-N -1 3 245.282 2.093 20 0 BEADHM CCCN(C)C(=O)c1ccc([O-])c(C)c1 ZINC000204443660 169061651 /nfs/dbraw/zinc/06/16/51/169061651.db2.gz IIXXLZQRWZWLIC-UHFFFAOYSA-N -1 3 207.273 2.183 20 0 BEADHM CCCN(CC(=O)[O-])Cc1ccc(F)cc1F ZINC000050885394 169099566 /nfs/dbraw/zinc/09/95/66/169099566.db2.gz LLJWPNDAHFAMGP-UHFFFAOYSA-N -1 3 243.253 2.261 20 0 BEADHM CCCN(CC)C(=O)c1cccc([O-])c1 ZINC000037095354 169119442 /nfs/dbraw/zinc/11/94/42/169119442.db2.gz MZWSFMONDCBKRU-UHFFFAOYSA-N -1 3 207.273 2.264 20 0 BEADHM [O-]c1ccc(F)c(CNCC(F)F)c1F ZINC000298067484 183273704 /nfs/dbraw/zinc/27/37/04/183273704.db2.gz KSTCPJPUADHPPK-UHFFFAOYSA-N -1 3 223.169 2.025 20 0 BEADHM [O-]c1cccc(CN[C@H]2CCCOC2)c1Cl ZINC000293020758 183292139 /nfs/dbraw/zinc/29/21/39/183292139.db2.gz QRLXXTQXYVPRFH-JTQLQIEISA-N -1 3 241.718 2.314 20 0 BEADHM [O-]c1ccccc1-c1nc([C@@H]2CCCO2)no1 ZINC000087803798 183299607 /nfs/dbraw/zinc/29/96/07/183299607.db2.gz NQWJSBMRLGONSQ-JTQLQIEISA-N -1 3 232.239 2.294 20 0 BEADHM [O-]c1cncc(-c2nc3c(cccc3F)[nH]2)c1 ZINC000104414386 183304505 /nfs/dbraw/zinc/30/45/05/183304505.db2.gz APZLWUHFIHXXQU-UHFFFAOYSA-N -1 3 229.214 2.470 20 0 BEADHM CCCOCC(=O)Nc1ccc(C)cc1[O-] ZINC000222356501 169308305 /nfs/dbraw/zinc/30/83/05/169308305.db2.gz JILJGQWZKWDWPE-UHFFFAOYSA-N -1 3 223.272 2.066 20 0 BEADHM CCCOc1cccc(CC(=O)[N-]OCC)c1 ZINC000161674946 169324251 /nfs/dbraw/zinc/32/42/51/169324251.db2.gz IWYCWQOBPMNMAY-UHFFFAOYSA-N -1 3 237.299 2.086 20 0 BEADHM CCC[C@@H](C)c1cc([N-]S(=O)(=O)CC)n[nH]1 ZINC000152845796 169374029 /nfs/dbraw/zinc/37/40/29/169374029.db2.gz TZVBZUNVKTYNQM-MRVPVSSYSA-N -1 3 245.348 2.075 20 0 BEADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccco1 ZINC000188641580 169379624 /nfs/dbraw/zinc/37/96/24/169379624.db2.gz STPXKHPDJGLNMD-SECBINFHSA-N -1 3 231.317 2.137 20 0 BEADHM CCCc1nnc([N-]C(=O)c2ccoc2)s1 ZINC000248152327 169598515 /nfs/dbraw/zinc/59/85/15/169598515.db2.gz BVSOERSVTQLTBM-UHFFFAOYSA-N -1 3 237.284 2.336 20 0 BEADHM Cc1ccc(-c2nc([C@H]3CCCN3)no2)c([O-])c1 ZINC000647146776 383869435 /nfs/dbraw/zinc/86/94/35/383869435.db2.gz BPWLMKGPHAWTIQ-SNVBAGLBSA-N -1 3 245.282 2.175 20 0 BEADHM CCO[N-]C(=O)Cc1c[nH]c2c1cccc2CC ZINC000068308481 383983506 /nfs/dbraw/zinc/98/35/06/383983506.db2.gz HFXKOUPOEAKPRX-UHFFFAOYSA-N -1 3 246.310 2.341 20 0 BEADHM COC1(CCNC(=O)c2cccc([O-])c2)CCC1 ZINC000293854538 383959878 /nfs/dbraw/zinc/95/98/78/383959878.db2.gz IKAVJGANJLNTBE-UHFFFAOYSA-N -1 3 249.310 2.081 20 0 BEADHM Cc1ccc(F)c(CN2CCC[C@@H]2C(=O)[O-])c1 ZINC000235902844 384047230 /nfs/dbraw/zinc/04/72/30/384047230.db2.gz IGIAIGHTCOZYKS-GFCCVEGCSA-N -1 3 237.274 2.183 20 0 BEADHM CC(=O)[N-]OCCCSCc1ccccc1 ZINC000090190044 384034509 /nfs/dbraw/zinc/03/45/09/384034509.db2.gz NANRARUYPAEFHX-UHFFFAOYSA-N -1 3 239.340 2.378 20 0 BEADHM CCO[N-]C(=O)CCSc1ccc(F)cc1 ZINC000069645119 384055393 /nfs/dbraw/zinc/05/53/93/384055393.db2.gz ZLUVFAATEYTFBJ-UHFFFAOYSA-N -1 3 243.303 2.376 20 0 BEADHM CCO[N-]C(=O)CCOc1cc(C)cc(C)c1 ZINC000070283714 384095695 /nfs/dbraw/zinc/09/56/95/384095695.db2.gz WEEJELOQQXJUPE-UHFFFAOYSA-N -1 3 237.299 2.140 20 0 BEADHM O=C(CC1CCOCC1)Nc1ccccc1[O-] ZINC000117411777 384173940 /nfs/dbraw/zinc/17/39/40/384173940.db2.gz FBZIFIMTSHVOML-UHFFFAOYSA-N -1 3 235.283 2.147 20 0 BEADHM Cc1nc(C(=O)Nc2ncccc2[O-])c(C)s1 ZINC000082264854 384214935 /nfs/dbraw/zinc/21/49/35/384214935.db2.gz PSGJMVHGTRQZEQ-UHFFFAOYSA-N -1 3 249.295 2.113 20 0 BEADHM O=C([O-])CCN1CCc2c(Cl)cccc2C1 ZINC000082791317 384268715 /nfs/dbraw/zinc/26/87/15/384268715.db2.gz LGRATIGKAIRZGF-UHFFFAOYSA-N -1 3 239.702 2.173 20 0 BEADHM C[C@H](C(=O)[O-])N1CCc2c(Cl)cccc2C1 ZINC000082791321 384268835 /nfs/dbraw/zinc/26/88/35/384268835.db2.gz WRFRTFUGGYJINC-MRVPVSSYSA-N -1 3 239.702 2.171 20 0 BEADHM CC(C)C[C@@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000120971746 384391966 /nfs/dbraw/zinc/39/19/66/384391966.db2.gz XHDMXTPJCCWSTO-SECBINFHSA-N -1 3 246.314 2.122 20 0 BEADHM O=C(c1ccccc1[O-])N1CC[C@@H]2CCC[C@@H]21 ZINC000334248269 384414815 /nfs/dbraw/zinc/41/48/15/384414815.db2.gz PDLLMFZUMONCPG-JQWIXIFHSA-N -1 3 231.295 2.407 20 0 BEADHM CC(C)CO[N-]C(=O)c1c(F)cccc1F ZINC000135342244 384436277 /nfs/dbraw/zinc/43/62/77/384436277.db2.gz CXLVKGULYRAXIX-UHFFFAOYSA-N -1 3 229.226 2.282 20 0 BEADHM Cc1ccc(NC(=O)[C@]2(C)C[C@@H]2F)c([O-])c1 ZINC000335653202 384439961 /nfs/dbraw/zinc/43/99/61/384439961.db2.gz XQNFXLNVSQJDEK-CMPLNLGQSA-N -1 3 223.247 2.387 20 0 BEADHM CN(C(=O)c1ccc(O)cc1[O-])C1CC(C)(C)C1 ZINC000335656637 384461654 /nfs/dbraw/zinc/46/16/54/384461654.db2.gz QBLXTFOTCAVXEP-UHFFFAOYSA-N -1 3 249.310 2.358 20 0 BEADHM CCN(CC(=O)Nc1ccc(C)cc1[O-])C1CC1 ZINC000135926278 384473531 /nfs/dbraw/zinc/47/35/31/384473531.db2.gz VSIWHFHAYXIKAD-UHFFFAOYSA-N -1 3 248.326 2.123 20 0 BEADHM Cc1cc(C(=O)Nc2nccs2)ccc1[O-] ZINC000148993593 384474742 /nfs/dbraw/zinc/47/47/42/384474742.db2.gz ZPVGFPZIMZRZAS-UHFFFAOYSA-N -1 3 234.280 2.409 20 0 BEADHM CC[C@@H]1CCCCN1C(=O)Cc1cncc([O-])c1 ZINC000561108529 384502965 /nfs/dbraw/zinc/50/29/65/384502965.db2.gz ADSDHBZKNYEDGJ-GFCCVEGCSA-N -1 3 248.326 2.121 20 0 BEADHM Cc1ccc(C(=O)NCc2ccoc2)c([O-])c1 ZINC000049002763 384516078 /nfs/dbraw/zinc/51/60/78/384516078.db2.gz MYMGEPMVGMVJJW-UHFFFAOYSA-N -1 3 231.251 2.224 20 0 BEADHM CS[C@@H](C)CC(=O)Nc1ccccc1[O-] ZINC000123045637 384530773 /nfs/dbraw/zinc/53/07/73/384530773.db2.gz HPLXRKCODNPJJG-QMMMGPOBSA-N -1 3 225.313 2.472 20 0 BEADHM CCO[N-]C(=O)Nc1ccc2c(c1)CCCN2C ZINC000183970096 384544205 /nfs/dbraw/zinc/54/42/05/384544205.db2.gz VPMXSMDVDOHHII-UHFFFAOYSA-N -1 3 249.314 2.142 20 0 BEADHM Cc1ccc(F)cc1CN1CC[C@H](C(=O)[O-])C1 ZINC000097850452 384568564 /nfs/dbraw/zinc/56/85/64/384568564.db2.gz BTSUFFABQDLILT-JTQLQIEISA-N -1 3 237.274 2.041 20 0 BEADHM CN(Cc1cc([O-])cc(F)c1)C[C@@H]1CCCO1 ZINC000184149202 384571578 /nfs/dbraw/zinc/57/15/78/384571578.db2.gz VWAARHDKCAIVCP-ZDUSSCGKSA-N -1 3 239.290 2.142 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@H]2C[C@@]2(C)C(C)C)c1C ZINC000361444357 384579248 /nfs/dbraw/zinc/57/92/48/384579248.db2.gz MXWXANQRCRNMHT-YGRLFVJLSA-N -1 3 249.358 2.323 20 0 BEADHM CCCc1csc(NC([O-])=NOCC)n1 ZINC000184262866 384586154 /nfs/dbraw/zinc/58/61/54/384586154.db2.gz RCKAVAGTWDNWPY-UHFFFAOYSA-N -1 3 229.305 2.169 20 0 BEADHM CCCc1csc(NC(=O)[N-]OCC)n1 ZINC000184262866 384586161 /nfs/dbraw/zinc/58/61/61/384586161.db2.gz RCKAVAGTWDNWPY-UHFFFAOYSA-N -1 3 229.305 2.169 20 0 BEADHM CCC1CN(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000334646052 384632197 /nfs/dbraw/zinc/63/21/97/384632197.db2.gz WSPMEOOBIWBWJW-UHFFFAOYSA-N -1 3 247.294 2.077 20 0 BEADHM CCO[N-]C(=O)[C@H](C)CCc1cccc(F)c1 ZINC000173252451 384666240 /nfs/dbraw/zinc/66/62/40/384666240.db2.gz JKGAKXUTZCRRTB-SNVBAGLBSA-N -1 3 239.290 2.462 20 0 BEADHM COc1cc(C(=O)N2CCCCC2)ccc1[O-] ZINC000082265674 384657877 /nfs/dbraw/zinc/65/78/77/384657877.db2.gz OFYGQVLSCSPUNL-UHFFFAOYSA-N -1 3 235.283 2.027 20 0 BEADHM O=C(NC[C@H]1CC=CCC1)c1ccccc1[O-] ZINC000044569492 384658154 /nfs/dbraw/zinc/65/81/54/384658154.db2.gz MTEBJBXKGRWRME-NSHDSACASA-N -1 3 231.295 2.478 20 0 BEADHM COc1ccc([O-])c(C(=O)N2CCC[C@H](C)C2)c1 ZINC000051770524 384682252 /nfs/dbraw/zinc/68/22/52/384682252.db2.gz GHSDRVKUYCCHCS-JTQLQIEISA-N -1 3 249.310 2.273 20 0 BEADHM CCO[N-]C(=O)C[C@H](C)c1ccccc1F ZINC000102634611 384719243 /nfs/dbraw/zinc/71/92/43/384719243.db2.gz ZNUCZBVJOGMBBQ-VIFPVBQESA-N -1 3 225.263 2.387 20 0 BEADHM Cn1c(=O)[n-]nc1SC[C@@H]1CCC(F)(F)C1 ZINC000334967124 384721952 /nfs/dbraw/zinc/72/19/52/384721952.db2.gz JKZFGYOXZRVIOV-ZCFIWIBFSA-N -1 3 249.286 2.048 20 0 BEADHM Cc1ccc(NC(=O)c2ccnnc2C)c([O-])c1 ZINC000533579118 384734814 /nfs/dbraw/zinc/73/48/14/384734814.db2.gz DAWANVMHXXEFOO-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM CCN(C(=O)c1cc(OC)ccc1[O-])C1CC1 ZINC000055359014 384740237 /nfs/dbraw/zinc/74/02/37/384740237.db2.gz NDLZIYFMJAEKGQ-UHFFFAOYSA-N -1 3 235.283 2.025 20 0 BEADHM CC[C@H](C)CNC(=O)c1cccc(C)c1[O-] ZINC000054475147 384838167 /nfs/dbraw/zinc/83/81/67/384838167.db2.gz ZKABULKSEGUJLD-VIFPVBQESA-N -1 3 221.300 2.477 20 0 BEADHM CCCC[N-]S(=O)(=O)c1c(C)cccc1F ZINC000186000468 384806906 /nfs/dbraw/zinc/80/69/06/384806906.db2.gz HGIUMFMCPQIVRK-UHFFFAOYSA-N -1 3 245.319 2.213 20 0 BEADHM CC(=O)[N-]OCc1c(C)cc(C)cc1C ZINC000084489672 384872195 /nfs/dbraw/zinc/87/21/95/384872195.db2.gz MIRBKGLEJUDSQE-UHFFFAOYSA-N -1 3 207.273 2.180 20 0 BEADHM C[C@@H]1C[C@H](NC(=O)c2cccc([O-])c2)CS1 ZINC000335261214 384880510 /nfs/dbraw/zinc/88/05/10/384880510.db2.gz QHJONPKADFHSFI-SCZZXKLOSA-N -1 3 237.324 2.016 20 0 BEADHM CC[C@@H](CSC)NC(=O)c1cccc([O-])c1 ZINC000163690439 384845656 /nfs/dbraw/zinc/84/56/56/384845656.db2.gz QDJICCXAGWAAOV-JTQLQIEISA-N -1 3 239.340 2.264 20 0 BEADHM CCC1(NC(=O)c2ccc(O)cc2[O-])CCC1 ZINC000174924972 384850560 /nfs/dbraw/zinc/85/05/60/384850560.db2.gz CTNUSSAYGGBCBF-UHFFFAOYSA-N -1 3 235.283 2.160 20 0 BEADHM C[C@@H](C(=O)Nc1nnc(-c2ccco2)[n-]1)C1CC1 ZINC000175304998 384889025 /nfs/dbraw/zinc/88/90/25/384889025.db2.gz FLEJDPDKHCFMQR-SSDOTTSWSA-N -1 3 246.270 2.049 20 0 BEADHM C[C@@H](C(=O)Nc1nc(-c2ccco2)n[n-]1)C1CC1 ZINC000175304998 384889030 /nfs/dbraw/zinc/88/90/30/384889030.db2.gz FLEJDPDKHCFMQR-SSDOTTSWSA-N -1 3 246.270 2.049 20 0 BEADHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)C1CC1 ZINC000175304998 384889034 /nfs/dbraw/zinc/88/90/34/384889034.db2.gz FLEJDPDKHCFMQR-SSDOTTSWSA-N -1 3 246.270 2.049 20 0 BEADHM CC(C)CCCNC(=O)/C=C\c1cncc([O-])c1 ZINC000255630582 384909002 /nfs/dbraw/zinc/90/90/02/384909002.db2.gz DQTDIPYIGQVQMH-WAYWQWQTSA-N -1 3 248.326 2.353 20 0 BEADHM C[C@@H]1CN(CCCC(=O)[O-])Cc2ccccc2O1 ZINC000559273427 384946983 /nfs/dbraw/zinc/94/69/83/384946983.db2.gz NPYBYUGOVVEXFL-LLVKDONJSA-N -1 3 249.310 2.134 20 0 BEADHM Cc1ccoc1CN(C)Cc1ncccc1[O-] ZINC000559305004 385010993 /nfs/dbraw/zinc/01/09/93/385010993.db2.gz AMRREQNBDJOTND-UHFFFAOYSA-N -1 3 232.283 2.321 20 0 BEADHM COC(=O)c1cnc(SCCCSC)[n-]1 ZINC000187585226 384962678 /nfs/dbraw/zinc/96/26/78/384962678.db2.gz ASAADMAHTVETPV-UHFFFAOYSA-N -1 3 246.357 2.042 20 0 BEADHM CCc1ccc(C(=O)N(CC)CC)c([O-])c1 ZINC000188425495 385051284 /nfs/dbraw/zinc/05/12/84/385051284.db2.gz MVDYRTBKKZFGLF-UHFFFAOYSA-N -1 3 221.300 2.437 20 0 BEADHM O=S(=O)([N-]CCC1CCCC1)c1ccco1 ZINC000188587852 385067350 /nfs/dbraw/zinc/06/73/50/385067350.db2.gz LVAOCNJMTABUBM-UHFFFAOYSA-N -1 3 243.328 2.138 20 0 BEADHM CCc1ccc(C(=O)NCC2CC2)c([O-])c1 ZINC000189020559 385113646 /nfs/dbraw/zinc/11/36/46/385113646.db2.gz BZNMVJFZNHRZOT-UHFFFAOYSA-N -1 3 219.284 2.094 20 0 BEADHM COc1ccc(NC(=O)/C=C\C2CC2)c([O-])c1 ZINC000491965649 385132698 /nfs/dbraw/zinc/13/26/98/385132698.db2.gz RBDIJXAQVPSJLP-DAXSKMNVSA-N -1 3 233.267 2.306 20 0 BEADHM Cc1cc(C(=O)NCCC(C)(F)F)ccc1[O-] ZINC000294151579 385187668 /nfs/dbraw/zinc/18/76/68/385187668.db2.gz HNLXDPCIOQSZHB-UHFFFAOYSA-N -1 3 243.253 2.476 20 0 BEADHM CCCc1ccc(CO[N-]C(C)=O)cc1 ZINC000176861674 385153808 /nfs/dbraw/zinc/15/38/08/385153808.db2.gz OAHXHBFNWRSBEQ-UHFFFAOYSA-N -1 3 207.273 2.207 20 0 BEADHM Cc1oc(C(=O)[O-])cc1CN1CC[C@@H](C)C1 ZINC000051361463 385242751 /nfs/dbraw/zinc/24/27/51/385242751.db2.gz HXMRDULFWQXCRR-MRVPVSSYSA-N -1 3 223.272 2.128 20 0 BEADHM CCON=C([O-])N1CCc2c1cccc2Cl ZINC000166533733 385253209 /nfs/dbraw/zinc/25/32/09/385253209.db2.gz VXFQTKRJMGSLOB-UHFFFAOYSA-N -1 3 240.690 2.364 20 0 BEADHM CCO[N-]C(=O)N1CCc2c1cccc2Cl ZINC000166533733 385253212 /nfs/dbraw/zinc/25/32/12/385253212.db2.gz VXFQTKRJMGSLOB-UHFFFAOYSA-N -1 3 240.690 2.364 20 0 BEADHM CCc1cc(C(=O)N(CC)CC)ccc1[O-] ZINC000064504181 385264095 /nfs/dbraw/zinc/26/40/95/385264095.db2.gz ATFFUJXODWMJJN-UHFFFAOYSA-N -1 3 221.300 2.437 20 0 BEADHM CC(C)CCNC(=O)c1cccc([O-])c1 ZINC000019838551 385330295 /nfs/dbraw/zinc/33/02/95/385330295.db2.gz HNRKOOVQSDPGNZ-UHFFFAOYSA-N -1 3 207.273 2.168 20 0 BEADHM CC[C@H]1CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000192618552 385364094 /nfs/dbraw/zinc/36/40/94/385364094.db2.gz QHOMXFSGHQVYCT-QWRGUYRKSA-N -1 3 235.331 2.284 20 0 BEADHM CCN(CC1CC1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192586780 385364814 /nfs/dbraw/zinc/36/48/14/385364814.db2.gz NAQZJJXYGVDBOB-JTQLQIEISA-N -1 3 235.331 2.284 20 0 BEADHM Cc1cnc(C(=O)Nc2c(C)cccc2[O-])cn1 ZINC000179552243 385376511 /nfs/dbraw/zinc/37/65/11/385376511.db2.gz NWFWOFKVLOVGKD-UHFFFAOYSA-N -1 3 243.266 2.051 20 0 BEADHM CC(=O)CCC(=O)N1CCCc2cccc([O-])c21 ZINC000192984647 385379767 /nfs/dbraw/zinc/37/97/67/385379767.db2.gz QPAXWRJOUSSJFH-UHFFFAOYSA-N -1 3 247.294 2.041 20 0 BEADHM CCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC000019838041 385327585 /nfs/dbraw/zinc/32/75/85/385327585.db2.gz FIHILYUDBHRTNL-VIFPVBQESA-N -1 3 207.273 2.311 20 0 BEADHM CC(C)[C@H](C)CNC(=O)c1c([O-])cccc1O ZINC000180855986 385396898 /nfs/dbraw/zinc/39/68/98/385396898.db2.gz CRHJGEDVUINKBX-SECBINFHSA-N -1 3 237.299 2.120 20 0 BEADHM COC(=O)c1cnc(SCC2CCCC2)[n-]1 ZINC000193538858 385401464 /nfs/dbraw/zinc/40/14/64/385401464.db2.gz BNWVRQYPPQTWIV-UHFFFAOYSA-N -1 3 240.328 2.479 20 0 BEADHM C[C@@H]1CCN(C(=O)/C=C/c2cncc([O-])c2)[C@H]1C ZINC000182078944 385455622 /nfs/dbraw/zinc/45/56/22/385455622.db2.gz LKHYHTPRCBWNEO-YHROSDCASA-N -1 3 246.310 2.057 20 0 BEADHM CCc1cc(C(=O)N2CC(C)(F)C2)ccc1[O-] ZINC000644084368 385434710 /nfs/dbraw/zinc/43/47/10/385434710.db2.gz HWOQRVDGSKYOMO-UHFFFAOYSA-N -1 3 237.274 2.139 20 0 BEADHM CS[C@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000179542583 385471816 /nfs/dbraw/zinc/47/18/16/385471816.db2.gz KZLHMKZTGYHHDJ-MRVPVSSYSA-N -1 3 225.313 2.391 20 0 BEADHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000157560490 385507494 /nfs/dbraw/zinc/50/74/94/385507494.db2.gz ZQOMZMZAZOVMPE-SECBINFHSA-N -1 3 247.385 2.461 20 0 BEADHM CCO[N-]C(=O)/C=C(\C)c1cccc(F)c1 ZINC000171952592 385537829 /nfs/dbraw/zinc/53/78/29/385537829.db2.gz CUPSQIFYYYAHJA-VQHVLOKHSA-N -1 3 223.247 2.297 20 0 BEADHM CC(=O)[N-]O[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000180798078 385548155 /nfs/dbraw/zinc/54/81/55/385548155.db2.gz RJFGRAMEGAMHPZ-SSDOTTSWSA-N -1 3 226.276 2.101 20 0 BEADHM CC/C=C(\C)C(=O)Nc1ncccc1[O-] ZINC000181003678 385558582 /nfs/dbraw/zinc/55/85/82/385558582.db2.gz CCABKYFKNMVWOH-VMPITWQZSA-N -1 3 206.245 2.082 20 0 BEADHM Cc1ccc(C[N-]c2nnc([C@@H]3CCCO3)o2)o1 ZINC000181970088 385623798 /nfs/dbraw/zinc/62/37/98/385623798.db2.gz FLIWJPWVPMQLQF-JTQLQIEISA-N -1 3 249.270 2.435 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCC(C)=C(C)C2)n1 ZINC000280820678 385607095 /nfs/dbraw/zinc/60/70/95/385607095.db2.gz UUWMXWIQQCVWBO-UHFFFAOYSA-N -1 3 247.342 2.287 20 0 BEADHM CC(C)O[N-]C(=O)/C=C\c1c(F)cccc1F ZINC000493736798 385608518 /nfs/dbraw/zinc/60/85/18/385608518.db2.gz FWLPXPGKDFPKMU-SREVYHEPSA-N -1 3 241.237 2.434 20 0 BEADHM COc1ccc(C(=O)NCCC2(C)CC2)c([O-])c1 ZINC000436849649 385663476 /nfs/dbraw/zinc/66/34/76/385663476.db2.gz UFFMSUILAJQWKT-UHFFFAOYSA-N -1 3 249.310 2.321 20 0 BEADHM CC[C@H](OC)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000270119634 385673410 /nfs/dbraw/zinc/67/34/10/385673410.db2.gz QVHRPXSLWFVGCS-JTQLQIEISA-N -1 3 243.690 2.409 20 0 BEADHM CC(C)(O)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000281544241 385679891 /nfs/dbraw/zinc/67/98/91/385679891.db2.gz KSRGAEVULXOHCN-UHFFFAOYSA-N -1 3 243.690 2.145 20 0 BEADHM CC(=O)c1cc(C(=O)[N-]c2cnoc2)cs1 ZINC000645233444 385693621 /nfs/dbraw/zinc/69/36/21/385693621.db2.gz IVNCOZRVTJOCDN-UHFFFAOYSA-N -1 3 236.252 2.191 20 0 BEADHM CCO[N-]C(=O)Nc1cc(C)ccc1C ZINC000182861372 385713889 /nfs/dbraw/zinc/71/38/89/385713889.db2.gz SAXFLONEBDKUNM-UHFFFAOYSA-N -1 3 208.261 2.376 20 0 BEADHM CCO[N-]C(=O)Nc1ccccc1OCC ZINC000182883376 385716395 /nfs/dbraw/zinc/71/63/95/385716395.db2.gz SRWBNZXIFCJOAE-UHFFFAOYSA-N -1 3 224.260 2.158 20 0 BEADHM CSCCCN(C)C(=O)c1ccccc1[O-] ZINC000281446536 385671512 /nfs/dbraw/zinc/67/15/12/385671512.db2.gz ZNPXDKXTTSGOHZ-UHFFFAOYSA-N -1 3 239.340 2.217 20 0 BEADHM Cc1noc([N-]C(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c1C ZINC000282192761 385740231 /nfs/dbraw/zinc/74/02/31/385740231.db2.gz MLUWHMUCZIUYKQ-MHYGZLNHSA-N -1 3 238.287 2.043 20 0 BEADHM COC(C)(C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000230939006 385769922 /nfs/dbraw/zinc/76/99/22/385769922.db2.gz XAMGRRFRGMLXCN-UHFFFAOYSA-N -1 3 237.299 2.454 20 0 BEADHM C[C@@H](CF)NCc1c(F)ccc([O-])c1F ZINC000293971951 385777430 /nfs/dbraw/zinc/77/74/30/385777430.db2.gz QPIGVDZXNNUHMT-LURJTMIESA-N -1 3 219.206 2.118 20 0 BEADHM CCO[N-]C(=O)Nc1cccc(OCC)c1 ZINC000182943150 385721943 /nfs/dbraw/zinc/72/19/43/385721943.db2.gz PARTWFLXPWDFCZ-UHFFFAOYSA-N -1 3 224.260 2.158 20 0 BEADHM CO[C@@H](C)CCC(=O)Nc1ccc(C)cc1[O-] ZINC000182966739 385724363 /nfs/dbraw/zinc/72/43/63/385724363.db2.gz QZSAXIGLDDDOOI-JTQLQIEISA-N -1 3 237.299 2.454 20 0 BEADHM CO[C@@]1(C)CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000230268620 385725106 /nfs/dbraw/zinc/72/51/06/385725106.db2.gz WXYGKOSIFMGLST-AWEZNQCLSA-N -1 3 249.310 2.033 20 0 BEADHM CN(CCCCO)Cc1cccc([O-])c1Cl ZINC000294743476 385889341 /nfs/dbraw/zinc/88/93/41/385889341.db2.gz QWPIITXBVSSRFF-UHFFFAOYSA-N -1 3 243.734 2.250 20 0 BEADHM CC[C@@H](C)[C@H](C)C(=O)Nc1nnc(SC)[n-]1 ZINC000272467183 385905383 /nfs/dbraw/zinc/90/53/83/385905383.db2.gz DEUAEDZSDHLGHQ-RQJHMYQMSA-N -1 3 242.348 2.147 20 0 BEADHM CC[C@@H](C)[C@H](C)C(=O)Nc1nc(SC)n[n-]1 ZINC000272467183 385905387 /nfs/dbraw/zinc/90/53/87/385905387.db2.gz DEUAEDZSDHLGHQ-RQJHMYQMSA-N -1 3 242.348 2.147 20 0 BEADHM CC[C@@H](C)[C@H](C)C(=O)Nc1n[n-]c(SC)n1 ZINC000272467183 385905390 /nfs/dbraw/zinc/90/53/90/385905390.db2.gz DEUAEDZSDHLGHQ-RQJHMYQMSA-N -1 3 242.348 2.147 20 0 BEADHM Cc1ccc([O-])c(CN(C)Cc2cccnc2)n1 ZINC000272826220 385939654 /nfs/dbraw/zinc/93/96/54/385939654.db2.gz PHZTWZNBJOQYQR-UHFFFAOYSA-N -1 3 243.310 2.123 20 0 BEADHM O=C([O-])[C@@H]1CCCN1Cc1cc(F)ccc1F ZINC000003748013 385945483 /nfs/dbraw/zinc/94/54/83/385945483.db2.gz ZJFMOGCMMXPGIZ-NSHDSACASA-N -1 3 241.237 2.014 20 0 BEADHM CC[C@@H](C)CCC(=O)[N-]OCc1cccnc1 ZINC000285730055 385960315 /nfs/dbraw/zinc/96/03/15/385960315.db2.gz KCBGABLPXUAHFM-LLVKDONJSA-N -1 3 236.315 2.456 20 0 BEADHM CCC1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000220228346 385960661 /nfs/dbraw/zinc/96/06/61/385960661.db2.gz KAQINTPENHEDJU-UHFFFAOYSA-N -1 3 249.310 2.360 20 0 BEADHM FC(F)c1nnc([N-]Cc2cscn2)o1 ZINC000189278015 385972169 /nfs/dbraw/zinc/97/21/69/385972169.db2.gz ISDIFDXKKQADCM-UHFFFAOYSA-N -1 3 232.215 2.076 20 0 BEADHM Cc1ccc([O-])c(NC(=O)CC(C)(C)C)n1 ZINC000273519645 386010328 /nfs/dbraw/zinc/01/03/28/386010328.db2.gz QGKMVNGAIMVXQD-UHFFFAOYSA-N -1 3 222.288 2.470 20 0 BEADHM Cc1ccc([O-])c(NC(=O)C2(C)CCC2)n1 ZINC000273549206 386012597 /nfs/dbraw/zinc/01/25/97/386012597.db2.gz UWSYUYRRYICYAQ-UHFFFAOYSA-N -1 3 220.272 2.224 20 0 BEADHM COCC[C@H]([N-]c1nnc(C)o1)c1ccco1 ZINC000286406665 386035439 /nfs/dbraw/zinc/03/54/39/386035439.db2.gz GIBDXQXCIWDUJH-VIFPVBQESA-N -1 3 237.259 2.161 20 0 BEADHM Cc1cccnc1C(=O)Nc1cc(F)ccc1[O-] ZINC000334433335 386051984 /nfs/dbraw/zinc/05/19/84/386051984.db2.gz XMEGZCBTXUAXKZ-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM C[C@H](O)CCN(C)Cc1cccc([O-])c1Cl ZINC000295228398 385996574 /nfs/dbraw/zinc/99/65/74/385996574.db2.gz COQQAYVGFMPBBX-VIFPVBQESA-N -1 3 243.734 2.248 20 0 BEADHM CC1(c2nc(-c3ccc4n[n-]nc4c3)no2)CC1 ZINC000350520116 386113031 /nfs/dbraw/zinc/11/30/31/386113031.db2.gz RJPDADHOCTYIDS-UHFFFAOYSA-N -1 3 241.254 2.059 20 0 BEADHM C[C@H](NCCCC(=O)[O-])c1cccc(F)c1F ZINC000223943139 386114952 /nfs/dbraw/zinc/11/49/52/386114952.db2.gz BUYHFBQCVRDZMF-QMMMGPOBSA-N -1 3 243.253 2.480 20 0 BEADHM Cc1ccc([O-])c(CN2CCSC[C@@H]2C)n1 ZINC000334461371 386116836 /nfs/dbraw/zinc/11/68/36/386116836.db2.gz OTJLBJXXMUBQKY-JTQLQIEISA-N -1 3 238.356 2.033 20 0 BEADHM Cc1cccc(C(=O)N2CC(C3CC3)C2)c1[O-] ZINC000643289926 386061805 /nfs/dbraw/zinc/06/18/05/386061805.db2.gz BEVYQNMINAQXBB-UHFFFAOYSA-N -1 3 231.295 2.183 20 0 BEADHM COC[C@@H]([N-]c1nnc(C)o1)c1ccccc1 ZINC000286655619 386062988 /nfs/dbraw/zinc/06/29/88/386062988.db2.gz YAHYSHNTNKZBNK-LLVKDONJSA-N -1 3 233.271 2.178 20 0 BEADHM Cc1cc(C)nc(NC([O-])=NOCC(C)C)c1 ZINC000274154820 386077486 /nfs/dbraw/zinc/07/74/86/386077486.db2.gz GNJDNVBOVKTPIV-UHFFFAOYSA-N -1 3 237.303 2.408 20 0 BEADHM Cc1cc(C)nc(NC(=O)[N-]OCC(C)C)c1 ZINC000274154820 386077487 /nfs/dbraw/zinc/07/74/87/386077487.db2.gz GNJDNVBOVKTPIV-UHFFFAOYSA-N -1 3 237.303 2.408 20 0 BEADHM CCC1(NC(=O)c2ccc([O-])c(OC)c2)CC1 ZINC000295771037 386082400 /nfs/dbraw/zinc/08/24/00/386082400.db2.gz CQEBWZVFRAMLOB-UHFFFAOYSA-N -1 3 235.283 2.073 20 0 BEADHM C[C@@H]1C[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000235301215 386153771 /nfs/dbraw/zinc/15/37/71/386153771.db2.gz AZCWRSCTFMCPDA-SFYZADRCSA-N -1 3 239.702 2.431 20 0 BEADHM CC(C)(C(=O)[N-]OCc1cccnc1)C1CC1 ZINC000288061652 386163100 /nfs/dbraw/zinc/16/31/00/386163100.db2.gz GCDSSIBOPCVXAA-UHFFFAOYSA-N -1 3 234.299 2.066 20 0 BEADHM Cc1ccc(C(=O)NC[C@H]2CC23CC3)c([O-])c1 ZINC000416062361 386208159 /nfs/dbraw/zinc/20/81/59/386208159.db2.gz DWAGEMVNSJVGBC-SNVBAGLBSA-N -1 3 231.295 2.231 20 0 BEADHM CCC1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000225682054 386211171 /nfs/dbraw/zinc/21/11/71/386211171.db2.gz QOYLSYJCACFZFE-UHFFFAOYSA-N -1 3 249.310 2.360 20 0 BEADHM CSc1nnc(NC(=O)C[C@@H](C)C(C)C)[n-]1 ZINC000263923726 386192968 /nfs/dbraw/zinc/19/29/68/386192968.db2.gz HANSADRQXZRKRS-SSDOTTSWSA-N -1 3 242.348 2.147 20 0 BEADHM CSc1n[n-]c(NC(=O)C[C@@H](C)C(C)C)n1 ZINC000263923726 386192972 /nfs/dbraw/zinc/19/29/72/386192972.db2.gz HANSADRQXZRKRS-SSDOTTSWSA-N -1 3 242.348 2.147 20 0 BEADHM CSc1nc(NC(=O)C[C@@H](C)C(C)C)n[n-]1 ZINC000263923726 386192978 /nfs/dbraw/zinc/19/29/78/386192978.db2.gz HANSADRQXZRKRS-SSDOTTSWSA-N -1 3 242.348 2.147 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000428097628 386194594 /nfs/dbraw/zinc/19/45/94/386194594.db2.gz QWNTUMZCIKHBLU-DDFAGTSDSA-N -1 3 231.295 2.229 20 0 BEADHM Cc1ccc([O-])c(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000428097629 386195917 /nfs/dbraw/zinc/19/59/17/386195917.db2.gz QWNTUMZCIKHBLU-IWIIMEHWSA-N -1 3 231.295 2.229 20 0 BEADHM COCC[C@H]([N-]C(=O)C(C)(F)F)c1ccco1 ZINC000289342445 386288492 /nfs/dbraw/zinc/28/84/92/386288492.db2.gz ZMLJZQPFAUPONM-QMMMGPOBSA-N -1 3 247.241 2.129 20 0 BEADHM CCc1ccc(C(=O)N2CCCCO2)c([O-])c1 ZINC000276316630 386302151 /nfs/dbraw/zinc/30/21/51/386302151.db2.gz ZLQRVPIFFLFNKZ-UHFFFAOYSA-N -1 3 235.283 2.122 20 0 BEADHM COC[C@@H](C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000340315944 386304490 /nfs/dbraw/zinc/30/44/90/386304490.db2.gz RSWNPWGVLYUAQL-QMMMGPOBSA-N -1 3 241.262 2.142 20 0 BEADHM COc1cc(C(=O)N(C)CCC2CC2)ccc1[O-] ZINC000276054318 386265938 /nfs/dbraw/zinc/26/59/38/386265938.db2.gz YQKKSIYFVFSCPG-UHFFFAOYSA-N -1 3 249.310 2.273 20 0 BEADHM CSc1nnc(NC(=O)CCC(C)(C)C)[n-]1 ZINC000265662736 386358427 /nfs/dbraw/zinc/35/84/27/386358427.db2.gz RFPNWMJGAAPJEC-UHFFFAOYSA-N -1 3 242.348 2.291 20 0 BEADHM CSc1n[n-]c(NC(=O)CCC(C)(C)C)n1 ZINC000265662736 386358431 /nfs/dbraw/zinc/35/84/31/386358431.db2.gz RFPNWMJGAAPJEC-UHFFFAOYSA-N -1 3 242.348 2.291 20 0 BEADHM CSc1nc(NC(=O)CCC(C)(C)C)n[n-]1 ZINC000265662736 386358433 /nfs/dbraw/zinc/35/84/33/386358433.db2.gz RFPNWMJGAAPJEC-UHFFFAOYSA-N -1 3 242.348 2.291 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC[C@](C)(CC)C2)n1 ZINC000336697192 386377171 /nfs/dbraw/zinc/37/71/71/386377171.db2.gz FNBOBTUEOOLVMU-AWEZNQCLSA-N -1 3 249.358 2.367 20 0 BEADHM C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccco1 ZINC000416507715 386331300 /nfs/dbraw/zinc/33/13/00/386331300.db2.gz ORXKUMCPVZDTKU-SECBINFHSA-N -1 3 245.344 2.383 20 0 BEADHM Cc1cc(C(=O)N[C@H]2CC2(C)C)ccc1[O-] ZINC000227021004 386448319 /nfs/dbraw/zinc/44/83/19/386448319.db2.gz CTIKQUDJHCWSNI-NSHDSACASA-N -1 3 219.284 2.229 20 0 BEADHM Cc1cnc(CNC(=O)c2cccc([O-])c2)s1 ZINC000182513818 386408346 /nfs/dbraw/zinc/40/83/46/386408346.db2.gz SFPJUONAYSTAAX-UHFFFAOYSA-N -1 3 248.307 2.087 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2CC)n1 ZINC000336707428 386411720 /nfs/dbraw/zinc/41/17/20/386411720.db2.gz ORZVITLARAPISV-LLVKDONJSA-N -1 3 235.331 2.119 20 0 BEADHM Cc1cc(C(F)(F)F)nc(=NCC2(C)CC2)[n-]1 ZINC000347409830 386416760 /nfs/dbraw/zinc/41/67/60/386416760.db2.gz HAAGBJLJRUPYMQ-UHFFFAOYSA-N -1 3 245.248 2.438 20 0 BEADHM CCc1ccc(CNC[C@@H](C(=O)[O-])C(C)C)o1 ZINC000277227147 386419690 /nfs/dbraw/zinc/41/96/90/386419690.db2.gz IHBPPHISONDONN-GFCCVEGCSA-N -1 3 239.315 2.288 20 0 BEADHM C[C@@H](CF)NC(=O)c1cc([O-])ccc1Cl ZINC000290852006 386481651 /nfs/dbraw/zinc/48/16/51/386481651.db2.gz JCXJNMDJCGTPAV-LURJTMIESA-N -1 3 231.654 2.133 20 0 BEADHM COc1ccc(NC(=O)[C@@H](C)SC)c([O-])c1 ZINC000442702402 386500376 /nfs/dbraw/zinc/50/03/76/386500376.db2.gz ZZPJYNISBQSFIU-SSDOTTSWSA-N -1 3 241.312 2.091 20 0 BEADHM Cc1ccoc1CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000335444061 386506730 /nfs/dbraw/zinc/50/67/30/386506730.db2.gz RBXICOZIKSMCGG-ONGXEEELSA-N -1 3 237.299 2.131 20 0 BEADHM CC1(C)CC[C@@H](C(=O)NCc2ncccc2[O-])C1 ZINC000335409123 386571431 /nfs/dbraw/zinc/57/14/31/386571431.db2.gz BTLWYSAODUXGMI-SNVBAGLBSA-N -1 3 248.326 2.230 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccccn1 ZINC000292168823 386629238 /nfs/dbraw/zinc/62/92/38/386629238.db2.gz UQCZZNHCLCLLLX-LLVKDONJSA-N -1 3 236.315 2.108 20 0 BEADHM CC(C)([N-]C(=O)C(F)F)c1cccc(F)c1 ZINC000279105897 386633397 /nfs/dbraw/zinc/63/33/97/386633397.db2.gz VMNRHQJSJPORNQ-UHFFFAOYSA-N -1 3 231.217 2.442 20 0 BEADHM CCc1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)ccc1[O-] ZINC000335519618 386656153 /nfs/dbraw/zinc/65/61/53/386656153.db2.gz MCBHEBZYRVRSDS-CLLJXQQHSA-N -1 3 245.322 2.483 20 0 BEADHM Cc1ccc(CC(=O)[N-]OC/C=C/Cl)cc1 ZINC000291900818 386600090 /nfs/dbraw/zinc/60/00/90/386600090.db2.gz RYXPRDGUYBSCJY-FARCUNLSSA-N -1 3 239.702 2.338 20 0 BEADHM Cc1cccc(-c2nc([C@@H]3CCOC3)no2)c1[O-] ZINC000087810107 386616680 /nfs/dbraw/zinc/61/66/80/386616680.db2.gz XAEVGFBWCHKMTE-SECBINFHSA-N -1 3 246.266 2.255 20 0 BEADHM Cc1ccoc1C[N-]C(=O)C(C)(Cl)Cl ZINC000292372993 386659601 /nfs/dbraw/zinc/65/96/01/386659601.db2.gz MIYWRQJQRYKFDQ-UHFFFAOYSA-N -1 3 236.098 2.398 20 0 BEADHM CCO[N-]C(=O)c1c(Cl)cncc1Cl ZINC000292498846 386678927 /nfs/dbraw/zinc/67/89/27/386678927.db2.gz SFXDQANSIWWVJM-UHFFFAOYSA-N -1 3 235.070 2.070 20 0 BEADHM C[C@H](CC(=O)[O-])NCc1ccc(Cl)cc1F ZINC000336738888 386656934 /nfs/dbraw/zinc/65/69/34/386656934.db2.gz KQOSVDSJIYSZJR-SSDOTTSWSA-N -1 3 245.681 2.432 20 0 BEADHM CN(C[C@@H]1CCCCO1)C(=O)c1ccccc1[O-] ZINC000042356273 386689119 /nfs/dbraw/zinc/68/91/19/386689119.db2.gz ZXEDGLVFLQSSPI-NSHDSACASA-N -1 3 249.310 2.033 20 0 BEADHM CC(C)c1cc(NC([O-])=NOCC2CC2)no1 ZINC000292632981 386702376 /nfs/dbraw/zinc/70/23/76/386702376.db2.gz GVNMVWVVQQMEJT-UHFFFAOYSA-N -1 3 239.275 2.261 20 0 BEADHM CC(C)c1cc(NC(=O)[N-]OCC2CC2)no1 ZINC000292632981 386702382 /nfs/dbraw/zinc/70/23/82/386702382.db2.gz GVNMVWVVQQMEJT-UHFFFAOYSA-N -1 3 239.275 2.261 20 0 BEADHM CCCCCC(=O)Nc1cccc2n[n-]nc21 ZINC000204488665 386707829 /nfs/dbraw/zinc/70/78/29/386707829.db2.gz FXUKOHRYYFQTKZ-UHFFFAOYSA-N -1 3 232.287 2.477 20 0 BEADHM CC(C)N(C(=O)c1cccc([O-])c1)[C@H]1CCOC1 ZINC000292797301 386729131 /nfs/dbraw/zinc/72/91/31/386729131.db2.gz KJRXUXHJSZBQNG-LBPRGKRZSA-N -1 3 249.310 2.032 20 0 BEADHM C[C@@]1(C(=O)Nc2cccc([O-])c2F)C[C@@H]1F ZINC000335539349 386744986 /nfs/dbraw/zinc/74/49/86/386744986.db2.gz VXHCUODVRFSONW-GZMMTYOYSA-N -1 3 227.210 2.218 20 0 BEADHM COC(=O)c1cnc(SCCC2CC2)[n-]1 ZINC000340707341 386746531 /nfs/dbraw/zinc/74/65/31/386746531.db2.gz DPECCOSXZRRCEI-UHFFFAOYSA-N -1 3 226.301 2.089 20 0 BEADHM CSCCO[N-]C(=O)CC1=CCCCC1 ZINC000279858800 386748282 /nfs/dbraw/zinc/74/82/82/386748282.db2.gz CVAQTMSBSMRYBJ-UHFFFAOYSA-N -1 3 229.345 2.288 20 0 BEADHM CCc1cc(C(=O)N2CCCCO2)ccc1[O-] ZINC000292948412 386754197 /nfs/dbraw/zinc/75/41/97/386754197.db2.gz PPDBNVXNPQLJBC-UHFFFAOYSA-N -1 3 235.283 2.122 20 0 BEADHM CC[C@@H](C(=O)Nc1ccc(C)cc1[O-])[C@@H](C)O ZINC000357299700 386755002 /nfs/dbraw/zinc/75/50/02/386755002.db2.gz GBSQZMITANPQDU-NXEZZACHSA-N -1 3 237.299 2.046 20 0 BEADHM CCC(CC)NC(=O)c1ccc(O)cc1[O-] ZINC000192894205 386768917 /nfs/dbraw/zinc/76/89/17/386768917.db2.gz FNHZFIOPZGAABH-UHFFFAOYSA-N -1 3 223.272 2.016 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@H](C)C(C)(C)C)c1C ZINC000330537206 386781986 /nfs/dbraw/zinc/78/19/86/386781986.db2.gz XCVMUYDMRMWLAM-SECBINFHSA-N -1 3 237.347 2.323 20 0 BEADHM C[C@@H](C[C@@H]1CCCO1)NC(=O)c1cccc([O-])c1 ZINC000357440884 386784452 /nfs/dbraw/zinc/78/44/52/386784452.db2.gz HYEZTVGLRYHOKS-GWCFXTLKSA-N -1 3 249.310 2.080 20 0 BEADHM C[C@@H](CC(C)(C)C)C(=O)Nc1ccncc1[O-] ZINC000357675242 386825224 /nfs/dbraw/zinc/82/52/24/386825224.db2.gz PWSZDKOXCQVGRX-VIFPVBQESA-N -1 3 236.315 2.220 20 0 BEADHM CCc1occc1C(=O)Nc1ncccc1[O-] ZINC000334779553 386833012 /nfs/dbraw/zinc/83/30/12/386833012.db2.gz HQLJOFHYWMZTNH-UHFFFAOYSA-N -1 3 232.239 2.195 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccncc1 ZINC000293875242 386894395 /nfs/dbraw/zinc/89/43/95/386894395.db2.gz YRUIEYUWFCXGCO-LLVKDONJSA-N -1 3 236.315 2.108 20 0 BEADHM CCc1cc(C(=O)NOCC2CC2)ccc1[O-] ZINC000293742441 386871587 /nfs/dbraw/zinc/87/15/87/386871587.db2.gz JHSSFQYISQZZGB-UHFFFAOYSA-N -1 3 235.283 2.026 20 0 BEADHM O=C(CCOCc1ccccc1)[N-]OCC1CC1 ZINC000293789620 386878807 /nfs/dbraw/zinc/87/88/07/386878807.db2.gz OPMZIWNSGIUXNP-UHFFFAOYSA-N -1 3 249.310 2.051 20 0 BEADHM O=C(CCCOc1ccccc1)[N-]OCC1CC1 ZINC000293858642 386890524 /nfs/dbraw/zinc/89/05/24/386890524.db2.gz VRLVBYXKXQNOSD-UHFFFAOYSA-N -1 3 249.310 2.303 20 0 BEADHM C[C@H]1N(C(=O)c2cccc([O-])c2)CCOC1(C)C ZINC000335771474 386917885 /nfs/dbraw/zinc/91/78/85/386917885.db2.gz WMQQYEAUIRTYED-SNVBAGLBSA-N -1 3 249.310 2.032 20 0 BEADHM CCN(CC1CCC1)C(=O)c1csc(=O)[n-]1 ZINC000358150376 386900599 /nfs/dbraw/zinc/90/05/99/386900599.db2.gz MWLVYWVKBJOVNU-UHFFFAOYSA-N -1 3 240.328 2.111 20 0 BEADHM O=C(c1cccc([O-])c1)N1C[C@H]2CCCC[C@H]21 ZINC000367839268 386910766 /nfs/dbraw/zinc/91/07/66/386910766.db2.gz LRCLFXWULCIBOD-DGCLKSJQSA-N -1 3 231.295 2.407 20 0 BEADHM CC(=O)c1ccc(C(=O)N[C@H](C)C2CC2)cc1[O-] ZINC000332140139 386964258 /nfs/dbraw/zinc/96/42/58/386964258.db2.gz LVXZXIPIDYXYGA-MRVPVSSYSA-N -1 3 247.294 2.123 20 0 BEADHM Cc1ccc(-c2nc(-c3ncc[nH]3)no2)c([O-])c1 ZINC000094940851 386968472 /nfs/dbraw/zinc/96/84/72/386968472.db2.gz NTQOHUIXNFNQEH-UHFFFAOYSA-N -1 3 242.238 2.141 20 0 BEADHM COC[C@H](C)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000094928850 386969671 /nfs/dbraw/zinc/96/96/71/386969671.db2.gz RKWFDZPJZNSVBC-SECBINFHSA-N -1 3 248.282 2.267 20 0 BEADHM C[C@@H](C[C@@H]1CCCO1)NC(=O)c1ccccc1[O-] ZINC000334087115 387056009 /nfs/dbraw/zinc/05/60/09/387056009.db2.gz KPHIKYFALZTXCG-QWRGUYRKSA-N -1 3 249.310 2.080 20 0 BEADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)n1cccn1 ZINC000334975834 387062104 /nfs/dbraw/zinc/06/21/04/387062104.db2.gz FNHQQJMKLUIQJU-SNVBAGLBSA-N -1 3 245.282 2.097 20 0 BEADHM CC(C)CCCNC(=O)c1ccc(O)cc1[O-] ZINC000192612916 387010739 /nfs/dbraw/zinc/01/07/39/387010739.db2.gz QHVLVEADABJVBB-UHFFFAOYSA-N -1 3 237.299 2.264 20 0 BEADHM Cc1ccc([O-])c(C(=O)NC2(C(F)F)CC2)c1 ZINC000334944334 387022039 /nfs/dbraw/zinc/02/20/39/387022039.db2.gz FFSMXDVDGOSRJM-UHFFFAOYSA-N -1 3 241.237 2.228 20 0 BEADHM CC[C@@H](NC(=O)c1ccccc1[O-])[C@@H]1CCCO1 ZINC000126181441 387023995 /nfs/dbraw/zinc/02/39/95/387023995.db2.gz DPSDXGFWJXJLKR-YPMHNXCESA-N -1 3 249.310 2.080 20 0 BEADHM C[C@]1(C(=O)NCc2ncccc2[O-])CC=CCC1 ZINC000336273053 387105833 /nfs/dbraw/zinc/10/58/33/387105833.db2.gz UIRMYFPLGPZKRF-AWEZNQCLSA-N -1 3 246.310 2.150 20 0 BEADHM CC(C)c1noc([N-]Cc2ccccn2)n1 ZINC000057354001 387132292 /nfs/dbraw/zinc/13/22/92/387132292.db2.gz JOWJTMQRMYTFAA-UHFFFAOYSA-N -1 3 218.260 2.200 20 0 BEADHM C[C@@H]1CCC[C@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000193256237 387185664 /nfs/dbraw/zinc/18/56/64/387185664.db2.gz RORSZMPNNXVPKM-ZJUUUORDSA-N -1 3 249.310 2.406 20 0 BEADHM CC(C)c1noc([N-]Cc2ccco2)n1 ZINC000057353999 387133546 /nfs/dbraw/zinc/13/35/46/387133546.db2.gz NZQIAJZFQSJZMT-UHFFFAOYSA-N -1 3 207.233 2.398 20 0 BEADHM Cc1cncc(CN(C[C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000572048740 387228224 /nfs/dbraw/zinc/22/82/24/387228224.db2.gz GMPZOABNBNTTNE-LLVKDONJSA-N -1 3 248.326 2.075 20 0 BEADHM Cc1sccc1CC(=O)Nc1ncccc1[O-] ZINC000336409417 387238406 /nfs/dbraw/zinc/23/84/06/387238406.db2.gz NLJKWMUEJQUFIU-UHFFFAOYSA-N -1 3 248.307 2.338 20 0 BEADHM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(O)cc1[O-] ZINC000162026626 387307758 /nfs/dbraw/zinc/30/77/58/387307758.db2.gz NGGFCFNOMTUGSP-DTORHVGOSA-N -1 3 235.283 2.111 20 0 BEADHM CC(=O)c1cccc(NC(=O)C2(C)CC2)c1[O-] ZINC000336512447 387335623 /nfs/dbraw/zinc/33/56/23/387335623.db2.gz YXMGZMYNUANLEP-UHFFFAOYSA-N -1 3 233.267 2.333 20 0 BEADHM CC(=O)c1cccc(NC(=O)C(C)C)c1[O-] ZINC000336512410 387335933 /nfs/dbraw/zinc/33/59/33/387335933.db2.gz AVUUZCMXDFNSRG-UHFFFAOYSA-N -1 3 221.256 2.189 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CC[C@@H](C)C2)c1C ZINC000336616837 387457447 /nfs/dbraw/zinc/45/74/47/387457447.db2.gz QIVKXGPAIIQMAC-PSASIEDQSA-N -1 3 235.331 2.077 20 0 BEADHM Cc1cnccc1C(=O)Nc1ccc([O-])cc1F ZINC000310828385 387540611 /nfs/dbraw/zinc/54/06/11/387540611.db2.gz FVMYJQSCGAUIQY-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC[C@H]3CCC[C@@H]32)n1 ZINC000355156092 387489660 /nfs/dbraw/zinc/48/96/60/387489660.db2.gz ABNFHDROKHLMTF-PWSUYJOCSA-N -1 3 247.342 2.119 20 0 BEADHM CC(=O)c1cccc(NC([O-])=NOC(C)C)c1 ZINC000294144867 387590430 /nfs/dbraw/zinc/59/04/30/387590430.db2.gz POFIWWMJVXZPKG-UHFFFAOYSA-N -1 3 236.271 2.351 20 0 BEADHM CC(=O)c1cccc(NC(=O)[N-]OC(C)C)c1 ZINC000294144867 387590435 /nfs/dbraw/zinc/59/04/35/387590435.db2.gz POFIWWMJVXZPKG-UHFFFAOYSA-N -1 3 236.271 2.351 20 0 BEADHM Cc1noc(C)c1C(=O)[N-]c1ccncc1F ZINC000122748629 387594404 /nfs/dbraw/zinc/59/44/04/387594404.db2.gz AKQGSEGWJJUJRD-UHFFFAOYSA-N -1 3 235.218 2.078 20 0 BEADHM COc1ccc(C(=O)N[C@@H]2C=CCCC2)c([O-])c1 ZINC000158373134 387604300 /nfs/dbraw/zinc/60/43/00/387604300.db2.gz KIIUWKLOTFTJSI-SNVBAGLBSA-N -1 3 247.294 2.239 20 0 BEADHM CCc1cc(=O)[n-]c(CN2CC(C)=C[C@@H](C)C2)n1 ZINC000430270546 387604549 /nfs/dbraw/zinc/60/45/49/387604549.db2.gz VMMFUKFWEIWTIA-SNVBAGLBSA-N -1 3 247.342 2.143 20 0 BEADHM CO[C@@H](C)CCC(=O)Nc1ccc([O-])cc1F ZINC000124260358 387611589 /nfs/dbraw/zinc/61/15/89/387611589.db2.gz IQCPFOHOYPCLSU-QMMMGPOBSA-N -1 3 241.262 2.285 20 0 BEADHM Cc1cncc(CNC(=O)c2ccccc2[O-])c1 ZINC000124524328 387620243 /nfs/dbraw/zinc/62/02/43/387620243.db2.gz OHJRYVAXDZWFAK-UHFFFAOYSA-N -1 3 242.278 2.026 20 0 BEADHM C[C@@H](NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000162960635 387655069 /nfs/dbraw/zinc/65/50/69/387655069.db2.gz OAXFSRCSGIVRLE-ZCFIWIBFSA-N -1 3 231.654 2.042 20 0 BEADHM Cc1ccc([O-])c(C(=O)Nc2cncc(F)c2)c1 ZINC000305918188 387666869 /nfs/dbraw/zinc/66/68/69/387666869.db2.gz GLLVEBBROATCCM-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM CC[C@H](NC(=O)c1cccc(C)c1[O-])C(F)F ZINC000452243406 387778577 /nfs/dbraw/zinc/77/85/77/387778577.db2.gz HEWKKQDDJGIMIW-VIFPVBQESA-N -1 3 243.253 2.474 20 0 BEADHM Cc1cccc(C(=O)NC2CC(C)(F)C2)c1[O-] ZINC000452284173 387790751 /nfs/dbraw/zinc/79/07/51/387790751.db2.gz NSKAXFKBEIZTBB-UHFFFAOYSA-N -1 3 237.274 2.321 20 0 BEADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)[C@H](C)[C@H](C)O1 ZINC000438408720 387933737 /nfs/dbraw/zinc/93/37/37/387933737.db2.gz DQQSEVCGFIHBIW-MXWKQRLJSA-N -1 3 249.310 2.030 20 0 BEADHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1CC1(C)C ZINC000459427598 387941115 /nfs/dbraw/zinc/94/11/15/387941115.db2.gz NUNRPVJCFFHNKE-LLVKDONJSA-N -1 3 247.342 2.290 20 0 BEADHM O=C(Nc1ccccc1[O-])c1cscn1 ZINC000082259121 388019910 /nfs/dbraw/zinc/01/99/10/388019910.db2.gz JZRZZQRTVOULEI-UHFFFAOYSA-N -1 3 220.253 2.101 20 0 BEADHM CC[C@@H](F)CSc1ncc(C(=O)OC)[n-]1 ZINC000440585493 388056672 /nfs/dbraw/zinc/05/66/72/388056672.db2.gz SFVBRNDQPABNHK-ZCFIWIBFSA-N -1 3 232.280 2.037 20 0 BEADHM O=C(Nc1ccc(F)cn1)c1cccc([O-])c1 ZINC000084831155 388081305 /nfs/dbraw/zinc/08/13/05/388081305.db2.gz GVPJTAVOEZCMCM-UHFFFAOYSA-N -1 3 232.214 2.179 20 0 BEADHM Cc1ccc(C(=O)Nc2ccc([O-])cc2F)cn1 ZINC000085203863 388085198 /nfs/dbraw/zinc/08/51/98/388085198.db2.gz YGQFIDWRMFWFKM-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM Cc1ccc([O-])c(CN(C)Cc2ccncc2)n1 ZINC000195562011 388169121 /nfs/dbraw/zinc/16/91/21/388169121.db2.gz SDZGEQQSSPISNT-UHFFFAOYSA-N -1 3 243.310 2.123 20 0 BEADHM C[C@H]1CC=C(C(=O)Nc2ncccc2[O-])CC1 ZINC000456009111 388171330 /nfs/dbraw/zinc/17/13/30/388171330.db2.gz PFCMRVCADZHPNR-VIFPVBQESA-N -1 3 232.283 2.472 20 0 BEADHM C[C@@H](C(=O)[O-])N(C)Cc1ccc(Cl)cc1F ZINC000161264764 388174551 /nfs/dbraw/zinc/17/45/51/388174551.db2.gz OJMUKWAKDIAIGH-ZETCQYMHSA-N -1 3 245.681 2.384 20 0 BEADHM CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccccc1[O-] ZINC000456334845 388195166 /nfs/dbraw/zinc/19/51/66/388195166.db2.gz SBDWSUIPOXAQJE-JQWIXIFHSA-N -1 3 233.311 2.414 20 0 BEADHM C/C=C(/C=C\C(=O)NCc1ncccc1[O-])CC ZINC000492014540 388331728 /nfs/dbraw/zinc/33/17/28/388331728.db2.gz BEKBAOXNIKSQQY-BTMWQIBTSA-N -1 3 246.310 2.316 20 0 BEADHM CC/C=C\C[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451768365 388294531 /nfs/dbraw/zinc/29/45/31/388294531.db2.gz IJEYFDWIEISEAQ-PLNGDYQASA-N -1 3 245.369 2.301 20 0 BEADHM Cc1ccc([O-])c(NC(=O)/C=C\c2ccc[nH]2)n1 ZINC000492030780 388332029 /nfs/dbraw/zinc/33/20/29/388332029.db2.gz JLUMGSVUBQEAGQ-ALCCZGGFSA-N -1 3 243.266 2.076 20 0 BEADHM CC(C)[C@@H](C)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000492391681 388343295 /nfs/dbraw/zinc/34/32/95/388343295.db2.gz BKJVDOLVLFRKKY-MVIFTORASA-N -1 3 248.326 2.303 20 0 BEADHM Cc1ccc(/C=C/C(=O)[N-]OC2CCCC2)nc1 ZINC000492428994 388344078 /nfs/dbraw/zinc/34/40/78/388344078.db2.gz ULUUXLAHQCFBRS-CMDGGOBGSA-N -1 3 246.310 2.394 20 0 BEADHM C[C@@H](CO)[C@H](C)NCc1cccc([O-])c1Cl ZINC000293652811 388356384 /nfs/dbraw/zinc/35/63/84/388356384.db2.gz SPUSQFJEUSFGGL-IUCAKERBSA-N -1 3 243.734 2.152 20 0 BEADHM CCCCCNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646561438 388382284 /nfs/dbraw/zinc/38/22/84/388382284.db2.gz RQVXSKVDMIWETA-UHFFFAOYSA-N -1 3 247.298 2.189 20 0 BEADHM CCC[C@H](O)CNCc1cccc([O-])c1Cl ZINC000293550158 388389334 /nfs/dbraw/zinc/38/93/34/388389334.db2.gz KZEITOHNQREOOB-JTQLQIEISA-N -1 3 243.734 2.296 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000649229173 388463664 /nfs/dbraw/zinc/46/36/64/388463664.db2.gz PYQCUXCNUJHAHK-MNOVXSKESA-N -1 3 247.342 2.248 20 0 BEADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1CCC1 ZINC000649234104 388464923 /nfs/dbraw/zinc/46/49/23/388464923.db2.gz SMUJKINUZYHACQ-UHFFFAOYSA-N -1 3 221.304 2.002 20 0 BEADHM CCC1(NC(=O)c2cccc(C)c2[O-])CC1 ZINC000295987938 388415960 /nfs/dbraw/zinc/41/59/60/388415960.db2.gz ULDUTMJELTYWIR-UHFFFAOYSA-N -1 3 219.284 2.373 20 0 BEADHM COC1(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000648836997 388432100 /nfs/dbraw/zinc/43/21/00/388432100.db2.gz WSLZSWWZVFCMEA-UHFFFAOYSA-N -1 3 241.674 2.163 20 0 BEADHM CC[C@H](CCO)NCc1cccc([O-])c1Cl ZINC000336889958 388432420 /nfs/dbraw/zinc/43/24/20/388432420.db2.gz GWYRQIATQMZXLB-SNVBAGLBSA-N -1 3 243.734 2.296 20 0 BEADHM CCCSc1nc2nc(C)cc(C)c2c(=O)[n-]1 ZINC000078354050 388498932 /nfs/dbraw/zinc/49/89/32/388498932.db2.gz AYNKNZHIYSWQGV-UHFFFAOYSA-N -1 3 249.339 2.437 20 0 BEADHM CC1(C)CC[C@H](CNC(=O)c2cccc([O-])c2)O1 ZINC000187344294 388607574 /nfs/dbraw/zinc/60/75/74/388607574.db2.gz LAJAPPAUQSPGAC-GFCCVEGCSA-N -1 3 249.310 2.080 20 0 BEADHM C[C@H]1CC(F)(F)CCN1Cc1ncccc1[O-] ZINC000528765106 388569739 /nfs/dbraw/zinc/56/97/39/388569739.db2.gz AGQQVLFMMZYIJY-VIFPVBQESA-N -1 3 242.269 2.407 20 0 BEADHM C[C@@H](c1cnccn1)[S@](=O)c1cccc([O-])c1 ZINC000184839683 388583165 /nfs/dbraw/zinc/58/31/65/388583165.db2.gz DARNRMUXZYHOIC-XYZCENFISA-N -1 3 248.307 2.051 20 0 BEADHM Cc1ccnc(NC(=O)c2c([O-])cccc2O)c1 ZINC000125581336 388673748 /nfs/dbraw/zinc/67/37/48/388673748.db2.gz IFSYEZFPWRSLJQ-UHFFFAOYSA-N -1 3 244.250 2.054 20 0 BEADHM CN(C(=O)c1ccc(O)cc1[O-])C1CCCC1 ZINC000192858151 388686710 /nfs/dbraw/zinc/68/67/10/388686710.db2.gz XEZYSNPIEUJVKG-UHFFFAOYSA-N -1 3 235.283 2.112 20 0 BEADHM O=C(/C=C/c1ccc[nH]1)[N-]OCc1ccccc1 ZINC000189623059 388639825 /nfs/dbraw/zinc/63/98/25/388639825.db2.gz PMBIPXZTBRGRPM-CMDGGOBGSA-N -1 3 242.278 2.276 20 0 BEADHM Cc1cc(C(=O)Nc2nc(C)ccc2[O-])co1 ZINC000189795697 388642684 /nfs/dbraw/zinc/64/26/84/388642684.db2.gz ATVYJEHBNILFTQ-UHFFFAOYSA-N -1 3 232.239 2.249 20 0 BEADHM CSC1(C(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000190894275 388658196 /nfs/dbraw/zinc/65/81/96/388658196.db2.gz NHTGLSFPZHKVBN-UHFFFAOYSA-N -1 3 241.287 2.365 20 0 BEADHM CC[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000226713443 388727303 /nfs/dbraw/zinc/72/73/03/388727303.db2.gz RLYRCTKBIRFQPV-SECBINFHSA-N -1 3 207.273 2.229 20 0 BEADHM O=C(N[C@@H]1C=CCCC1)c1ccccc1[O-] ZINC000146226721 388802085 /nfs/dbraw/zinc/80/20/85/388802085.db2.gz RDRGJBRAADQKIA-SNVBAGLBSA-N -1 3 217.268 2.231 20 0 BEADHM O=C(N=c1cc2ccccn2[n-]1)C1CCCCC1 ZINC000553326241 388763285 /nfs/dbraw/zinc/76/32/85/388763285.db2.gz WHQNYSPHRUAWQN-UHFFFAOYSA-N -1 3 243.310 2.275 20 0 BEADHM C[C@@H](NC(=O)c1ccccc1[O-])C(F)(F)F ZINC000288651989 388830368 /nfs/dbraw/zinc/83/03/68/388830368.db2.gz RHGGZUVKVMCPAF-ZCFIWIBFSA-N -1 3 233.189 2.073 20 0 BEADHM C[C@@H]1CCC[C@@H]1CNC(=O)c1c([O-])cccc1O ZINC000232434933 388849402 /nfs/dbraw/zinc/84/94/02/388849402.db2.gz JUPMBRIEVUGXFU-NXEZZACHSA-N -1 3 249.310 2.264 20 0 BEADHM C[C@H]1CC[C@@H](CNC(=O)c2c([O-])cccc2O)C1 ZINC000232434928 388849752 /nfs/dbraw/zinc/84/97/52/388849752.db2.gz BDWUIZVXSLIEMM-VHSXEESVSA-N -1 3 249.310 2.264 20 0 BEADHM C[C@H]1CCC[C@@H]1CNC(=O)c1c([O-])cccc1O ZINC000232434935 388849762 /nfs/dbraw/zinc/84/97/62/388849762.db2.gz JUPMBRIEVUGXFU-VHSXEESVSA-N -1 3 249.310 2.264 20 0 BEADHM O=C(Cc1ccc([O-])c(F)c1)NC1(C2CC2)CC1 ZINC000565991397 388982288 /nfs/dbraw/zinc/98/22/88/388982288.db2.gz GHIKPJLCZNQVDZ-UHFFFAOYSA-N -1 3 249.285 2.133 20 0 BEADHM C[C@@H]1[C@@H](C(=O)Nc2cccc([O-])c2F)C1(F)F ZINC000336027459 134057710 /nfs/dbraw/zinc/05/77/10/134057710.db2.gz OLPZTOWYFDMSTG-XRGYYRRGSA-N -1 3 245.200 2.371 20 0 BEADHM COc1ccc([O-])c(C(=O)N2[C@H](C)C[C@H]2C)c1 ZINC000336065396 134070300 /nfs/dbraw/zinc/07/03/00/134070300.db2.gz MZKLZBXEGSMELL-RKDXNWHRSA-N -1 3 235.283 2.024 20 0 BEADHM C[C@H]1C[C@@H]1CNCc1c(F)ccc([O-])c1F ZINC000352124390 134074964 /nfs/dbraw/zinc/07/49/64/134074964.db2.gz XZLGTZZWZLCBRV-JGVFFNPUSA-N -1 3 227.254 2.416 20 0 BEADHM COc1ccc(C(=O)N2CC[C@H]2C(C)C)c([O-])c1 ZINC000336144116 134101346 /nfs/dbraw/zinc/10/13/46/134101346.db2.gz RHWFVUVWAHUIHQ-LBPRGKRZSA-N -1 3 249.310 2.271 20 0 BEADHM Cc1cc(C(=O)N2[C@H](C)C[C@H]2C)ccc1[O-] ZINC000336157711 134106560 /nfs/dbraw/zinc/10/65/60/134106560.db2.gz ZRNCBDFYEBRWDG-NXEZZACHSA-N -1 3 219.284 2.324 20 0 BEADHM C[C@H]1C[C@H](C)N1C(=O)c1ccccc1[O-] ZINC000336157515 134106574 /nfs/dbraw/zinc/10/65/74/134106574.db2.gz AZTVDKWYBOTTBO-IUCAKERBSA-N -1 3 205.257 2.015 20 0 BEADHM CC1=C[C@@H](C)CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000336183607 134120851 /nfs/dbraw/zinc/12/08/51/134120851.db2.gz NFESDFHEEOKKRX-SECBINFHSA-N -1 3 247.294 2.136 20 0 BEADHM CC[C@@H](C)[C@H](OC)C(=O)[N-]c1onc(C)c1C ZINC000359581271 134195786 /nfs/dbraw/zinc/19/57/86/134195786.db2.gz UEFHYSJZAKQYGQ-XCBNKYQSSA-N -1 3 240.303 2.291 20 0 BEADHM COCCCCC(=O)Nc1ccc([O-])cc1F ZINC000183238690 134352763 /nfs/dbraw/zinc/35/27/63/134352763.db2.gz MMHXSYBDWPBJHD-UHFFFAOYSA-N -1 3 241.262 2.287 20 0 BEADHM Cc1cc(C(=O)Nc2ccncc2)ccc1[O-] ZINC000226714885 134371004 /nfs/dbraw/zinc/37/10/04/134371004.db2.gz JDCGVSRDMHSUFG-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM Cc1cc(C(=O)NCc2ccoc2)ccc1[O-] ZINC000226717199 134371074 /nfs/dbraw/zinc/37/10/74/134371074.db2.gz ASSKTNAVRICIEU-UHFFFAOYSA-N -1 3 231.251 2.224 20 0 BEADHM Cc1cc(C(=O)Nc2cccnc2)ccc1[O-] ZINC000226951333 134371162 /nfs/dbraw/zinc/37/11/62/134371162.db2.gz ZAANJAMHESCEFV-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM CCC(CC)[C@H](C)C(=O)Nc1ccncc1[O-] ZINC000342463380 135276863 /nfs/dbraw/zinc/27/68/63/135276863.db2.gz OZCKPDXMKSDUGU-VIFPVBQESA-N -1 3 236.315 2.220 20 0 BEADHM Cc1ccoc1CNC[C@H](CC(C)C)C(=O)[O-] ZINC000263050069 135329055 /nfs/dbraw/zinc/32/90/55/135329055.db2.gz KOYRVNBNAJPLFR-NSHDSACASA-N -1 3 239.315 2.425 20 0 BEADHM CCC(CC)(CNCc1ccco1)C(=O)[O-] ZINC000263115120 135334450 /nfs/dbraw/zinc/33/44/50/135334450.db2.gz ZGWXCTJBOMTWOI-UHFFFAOYSA-N -1 3 225.288 2.260 20 0 BEADHM Cc1cccc(C(=O)NC2(C(F)F)CC2)c1[O-] ZINC000334357087 135372038 /nfs/dbraw/zinc/37/20/38/135372038.db2.gz OZGYBHYCALEXJF-UHFFFAOYSA-N -1 3 241.237 2.228 20 0 BEADHM COc1cc(C(=O)N[C@H]2CC[C@H](C)C2)ccc1[O-] ZINC000334394556 135386828 /nfs/dbraw/zinc/38/68/28/135386828.db2.gz VPDFLDLFOIPFFD-ONGXEEELSA-N -1 3 249.310 2.319 20 0 BEADHM COc1cc(C(=O)N[C@@H]2CC[C@H](C)C2)ccc1[O-] ZINC000334394542 135386883 /nfs/dbraw/zinc/38/68/83/135386883.db2.gz VPDFLDLFOIPFFD-GXSJLCMTSA-N -1 3 249.310 2.319 20 0 BEADHM Cc1ccc(NC(=O)c2cccc([O-])c2)cn1 ZINC000096790803 135629513 /nfs/dbraw/zinc/62/95/13/135629513.db2.gz WTCWDBLHPKLYJU-UHFFFAOYSA-N -1 3 228.251 2.348 20 0 BEADHM CCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000347842932 136011788 /nfs/dbraw/zinc/01/17/88/136011788.db2.gz HHCUKSGCIFUYKZ-UHFFFAOYSA-N -1 3 226.247 2.417 20 0 BEADHM CCCC[C@@H](COC)NCc1ncccc1[O-] ZINC000348042354 136029215 /nfs/dbraw/zinc/02/92/15/136029215.db2.gz NAVQHTIQTFBHQO-NSHDSACASA-N -1 3 238.331 2.082 20 0 BEADHM Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CS3)c([O-])c1 ZINC000335382566 136087774 /nfs/dbraw/zinc/08/77/74/136087774.db2.gz XOQCGLJRRXUBOR-UWVGGRQHSA-N -1 3 249.335 2.031 20 0 BEADHM CCCC1(CNC(=O)c2ccc(O)cc2[O-])CC1 ZINC000151116149 397736151 /nfs/dbraw/zinc/73/61/51/397736151.db2.gz BKDUNELPZHHCOO-UHFFFAOYSA-N -1 3 249.310 2.408 20 0 BEADHM CSC1(CNC(=O)c2cccc([O-])c2)CC1 ZINC000194674123 397899309 /nfs/dbraw/zinc/89/93/09/397899309.db2.gz TYJNXNNQKQQJCF-UHFFFAOYSA-N -1 3 237.324 2.018 20 0 BEADHM Cc1ccc2oc(C(=O)[N-]c3cnoc3)cc2n1 ZINC000591014964 397920559 /nfs/dbraw/zinc/92/05/59/397920559.db2.gz HFJZPHLXFQWVAJ-UHFFFAOYSA-N -1 3 243.222 2.377 20 0 BEADHM Cc1ccncc1/C=C/C(=O)[N-]OC1CCCC1 ZINC000273085329 397991262 /nfs/dbraw/zinc/99/12/62/397991262.db2.gz BHHHBJWXOGSWLX-VOTSOKGWSA-N -1 3 246.310 2.394 20 0 BEADHM Cc1cccc(-c2nc(C3(N)CCC3)no2)c1[O-] ZINC000414629633 397997690 /nfs/dbraw/zinc/99/76/90/397997690.db2.gz RHPDZVKOELZHNW-UHFFFAOYSA-N -1 3 245.282 2.089 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@H](C)CC(C)C)c1C ZINC000361327978 397975474 /nfs/dbraw/zinc/97/54/74/397975474.db2.gz FKBMGXHDXNWACZ-SECBINFHSA-N -1 3 237.347 2.323 20 0 BEADHM CC[C@H](C)Oc1ccc2c([O-])coc2c1 ZINC000062805324 1172779266 /nfs/dbraw/zinc/77/92/66/1172779266.db2.gz JTHNUHTXGILEEF-QMMMGPOBSA-N -1 3 206.241 2.439 20 0 BEADHM CC(C)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000082791351 167028981 /nfs/dbraw/zinc/02/89/81/167028981.db2.gz DIIJOHQBWKXXJI-UHFFFAOYSA-N -1 3 219.284 2.151 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CC23CCC3)n1 ZINC000680321331 487560596 /nfs/dbraw/zinc/56/05/96/487560596.db2.gz MPINTTLNOFMVNF-VIFPVBQESA-N -1 3 232.283 2.224 20 0 BEADHM CCCCC(=O)Nc1cccc2n[n-]nc21 ZINC000074852739 487584957 /nfs/dbraw/zinc/58/49/57/487584957.db2.gz WFVFVCCIVOFACY-UHFFFAOYSA-N -1 3 218.260 2.087 20 0 BEADHM CC(C)ON=C([O-])Nc1cc(F)cc(F)c1 ZINC000296205846 167277738 /nfs/dbraw/zinc/27/77/38/167277738.db2.gz DUQAHQDAKQLHQL-UHFFFAOYSA-N -1 3 230.214 2.426 20 0 BEADHM CC(C)O[N-]C(=O)Nc1cc(F)cc(F)c1 ZINC000296205846 167277741 /nfs/dbraw/zinc/27/77/41/167277741.db2.gz DUQAHQDAKQLHQL-UHFFFAOYSA-N -1 3 230.214 2.426 20 0 BEADHM Cc1ccc(CN2CCC(C)(C(=O)[O-])CC2)o1 ZINC000062844429 409986520 /nfs/dbraw/zinc/98/65/20/409986520.db2.gz OLQVNMBLJGSUCF-UHFFFAOYSA-N -1 3 237.299 2.275 20 0 BEADHM O=C([O-])CCC1CCN(Cc2ccco2)CC1 ZINC000050926254 487612572 /nfs/dbraw/zinc/61/25/72/487612572.db2.gz IMQACAVDPSZVGH-UHFFFAOYSA-N -1 3 237.299 2.356 20 0 BEADHM CCO[N-]C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000116169455 410263664 /nfs/dbraw/zinc/26/36/64/410263664.db2.gz IFYMIHHEPVQLAS-SFYZADRCSA-N -1 3 241.237 2.136 20 0 BEADHM Cc1cc(CN2[C@H](C)CC[C@@H]2C(=O)[O-])cs1 ZINC000650796217 410443516 /nfs/dbraw/zinc/44/35/16/410443516.db2.gz OFASSYVJUBYAPY-LDYMZIIASA-N -1 3 239.340 2.494 20 0 BEADHM CC(C)Nc1cccc(F)c1[N-]S(C)(=O)=O ZINC000270803461 167146804 /nfs/dbraw/zinc/14/68/04/167146804.db2.gz OJOHZRPSJSUBAG-UHFFFAOYSA-N -1 3 246.307 2.018 20 0 BEADHM CC(C)ON=C([O-])Nc1cccc(Cl)n1 ZINC000296595763 167275393 /nfs/dbraw/zinc/27/53/93/167275393.db2.gz KROWXSFRAIADBJ-UHFFFAOYSA-N -1 3 229.667 2.197 20 0 BEADHM CC(C)O[N-]C(=O)Nc1cccc(Cl)n1 ZINC000296595763 167275395 /nfs/dbraw/zinc/27/53/95/167275395.db2.gz KROWXSFRAIADBJ-UHFFFAOYSA-N -1 3 229.667 2.197 20 0 BEADHM CC(C)ON=C([O-])Nc1ccc2c(c1)N(C)CC2 ZINC000296509402 167276291 /nfs/dbraw/zinc/27/62/91/167276291.db2.gz ZEVDXOIUIRGYKJ-UHFFFAOYSA-N -1 3 249.314 2.140 20 0 BEADHM CC(C)O[N-]C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000296509402 167276293 /nfs/dbraw/zinc/27/62/93/167276293.db2.gz ZEVDXOIUIRGYKJ-UHFFFAOYSA-N -1 3 249.314 2.140 20 0 BEADHM CC(C)O[N-]C(=O)Nc1ccc(N(C)C)cc1 ZINC000296456213 167277679 /nfs/dbraw/zinc/27/76/79/167277679.db2.gz YRGGXDWPENEPBQ-UHFFFAOYSA-N -1 3 237.303 2.214 20 0 BEADHM CC(C)Oc1ccccc1CN[C@H](C)C(=O)[O-] ZINC000041689529 167309664 /nfs/dbraw/zinc/30/96/64/167309664.db2.gz YOZAYSFPGJSGCI-SNVBAGLBSA-N -1 3 237.299 2.037 20 0 BEADHM CC(C)[C@@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000172414973 167353187 /nfs/dbraw/zinc/35/31/87/167353187.db2.gz UMOQHIAQGNFMGP-SECBINFHSA-N -1 3 239.290 2.440 20 0 BEADHM CC[C@H](NCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000309523213 411162733 /nfs/dbraw/zinc/16/27/33/411162733.db2.gz CCMMOWNIXQXTAB-JTQLQIEISA-N -1 3 245.681 2.432 20 0 BEADHM C[C@H](CNCc1sccc1Cl)C(=O)[O-] ZINC000656096945 411175163 /nfs/dbraw/zinc/17/51/63/411175163.db2.gz PXHLBQDZXSNMNL-ZCFIWIBFSA-N -1 3 233.720 2.212 20 0 BEADHM Cc1ncc(CN(CCC(=O)[O-])C(C)C)s1 ZINC000062337004 411205175 /nfs/dbraw/zinc/20/51/75/411205175.db2.gz BSIPZDOAFVPPQW-UHFFFAOYSA-N -1 3 242.344 2.137 20 0 BEADHM CC(F)(F)C(=O)[N-]Cc1cccc(F)c1 ZINC000288717804 167809895 /nfs/dbraw/zinc/80/98/95/167809895.db2.gz ZRHLFXYLMFVYQI-UHFFFAOYSA-N -1 3 217.190 2.097 20 0 BEADHM C[C@H]1SCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000309853080 411294942 /nfs/dbraw/zinc/29/49/42/411294942.db2.gz YYHDILZRYAWCNF-SCZZXKLOSA-N -1 3 237.324 2.016 20 0 BEADHM CC1(C(=O)[O-])CCN(Cc2ccsc2)CC1 ZINC000062844109 411326107 /nfs/dbraw/zinc/32/61/07/411326107.db2.gz DXYQUSQRXQGGCR-UHFFFAOYSA-N -1 3 239.340 2.435 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-]C2CC(C)(C)C2)o1 ZINC000660129829 411250344 /nfs/dbraw/zinc/25/03/44/411250344.db2.gz YDAKMQWBGNVZNW-UHFFFAOYSA-N -1 3 243.328 2.055 20 0 BEADHM O=C([O-])c1cccc2c1CN(CCCF)CC2 ZINC000652488347 411256502 /nfs/dbraw/zinc/25/65/02/411256502.db2.gz PCABJNONKLTLRS-UHFFFAOYSA-N -1 3 237.274 2.103 20 0 BEADHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1c([O-])cccc1O ZINC000403609483 411350781 /nfs/dbraw/zinc/35/07/81/411350781.db2.gz IIBLPWBXASJZCY-LPEHRKFASA-N -1 3 247.294 2.016 20 0 BEADHM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1c([O-])cccc1O ZINC000403609484 411351192 /nfs/dbraw/zinc/35/11/92/411351192.db2.gz IIBLPWBXASJZCY-OPRDCNLKSA-N -1 3 247.294 2.016 20 0 BEADHM CC1(CCNC(=O)c2c([O-])cccc2O)CC1 ZINC000280149225 168020430 /nfs/dbraw/zinc/02/04/30/168020430.db2.gz AZQSJAWENGIHNM-UHFFFAOYSA-N -1 3 235.283 2.018 20 0 BEADHM CC1(c2nc(-c3ccc([O-])cc3)no2)CC1 ZINC000309376762 168072731 /nfs/dbraw/zinc/07/27/31/168072731.db2.gz CETBGEPLLJENQK-UHFFFAOYSA-N -1 3 216.240 2.494 20 0 BEADHM Cc1ccc(C(=O)N2CCC=C(C)C2)c([O-])c1 ZINC000230812970 168096746 /nfs/dbraw/zinc/09/67/46/168096746.db2.gz RVSZPKPPUPDORR-UHFFFAOYSA-N -1 3 231.295 2.493 20 0 BEADHM CCC(C)(C)C[N-]S(=O)(=O)c1cccs1 ZINC000192232863 168281442 /nfs/dbraw/zinc/28/14/42/168281442.db2.gz JLAUPBXYKURURY-UHFFFAOYSA-N -1 3 247.385 2.463 20 0 BEADHM O=C([O-])c1ccc(CN2CC[C@H]3C[C@H]3C2)c(F)c1 ZINC000659800002 411457586 /nfs/dbraw/zinc/45/75/86/411457586.db2.gz MBVMNABOAYWHQX-CABZTGNLSA-N -1 3 249.285 2.366 20 0 BEADHM Cc1ccc(S(=O)(=O)[N-]CCC(C)(C)F)o1 ZINC000657141959 411410164 /nfs/dbraw/zinc/41/01/64/411410164.db2.gz XSFVDDKJHXYMHA-UHFFFAOYSA-N -1 3 249.307 2.005 20 0 BEADHM CCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000071946551 170102320 /nfs/dbraw/zinc/10/23/20/170102320.db2.gz UKOYWBDYYYNHHB-UHFFFAOYSA-N -1 3 207.273 2.265 20 0 BEADHM CCOCCN(CC)Cc1cc([O-])cc(F)c1 ZINC000184150236 170395642 /nfs/dbraw/zinc/39/56/42/170395642.db2.gz VKPLSTOAAUOSIF-UHFFFAOYSA-N -1 3 241.306 2.390 20 0 BEADHM CCO[N-]C(=O)Nc1ccc2ccn(C)c2c1 ZINC000184045123 170465965 /nfs/dbraw/zinc/46/59/65/170465965.db2.gz XNRCCXNWWZRGOF-UHFFFAOYSA-N -1 3 233.271 2.251 20 0 BEADHM CCO[N-]C(=O)Nc1ccc(C)c(OCC)c1 ZINC000273738885 170466158 /nfs/dbraw/zinc/46/61/58/170466158.db2.gz RQQJFLAKNNOZTB-UHFFFAOYSA-N -1 3 238.287 2.467 20 0 BEADHM Cc1cc(=O)[n-]c(C(C)(C)NCCC(C)C)n1 ZINC000660745026 411620462 /nfs/dbraw/zinc/62/04/62/411620462.db2.gz JPQXDQACHAGVBP-UHFFFAOYSA-N -1 3 237.347 2.361 20 0 BEADHM Cn1c(=O)[n-]nc1SCC12CCC(CC1)C2 ZINC000663949161 411788909 /nfs/dbraw/zinc/78/89/09/411788909.db2.gz QAQVVISARDVJMX-UHFFFAOYSA-N -1 3 239.344 2.193 20 0 BEADHM CC[C@@H](C)CON=C([O-])Nc1ccc(C)cn1 ZINC000296716377 170711623 /nfs/dbraw/zinc/71/16/23/170711623.db2.gz FWFJPFIQOHSNOQ-SECBINFHSA-N -1 3 237.303 2.489 20 0 BEADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(C)cn1 ZINC000296716377 170711625 /nfs/dbraw/zinc/71/16/25/170711625.db2.gz FWFJPFIQOHSNOQ-SECBINFHSA-N -1 3 237.303 2.489 20 0 BEADHM CC[C@@H]1CCN1C(=O)c1ccc(C)cc1[O-] ZINC000293916848 171020318 /nfs/dbraw/zinc/02/03/18/171020318.db2.gz GRGPNMZVDDETMA-SNVBAGLBSA-N -1 3 219.284 2.325 20 0 BEADHM CC[C@@H]1CC[C@H](C(=O)Nc2ccccc2[O-])O1 ZINC000268228889 171048559 /nfs/dbraw/zinc/04/85/59/171048559.db2.gz KRPDZBVPLKLJQZ-BXKDBHETSA-N -1 3 235.283 2.288 20 0 BEADHM CC[C@@](C)([N-]C(=O)C(F)F)c1nc(C)cs1 ZINC000279230667 171172266 /nfs/dbraw/zinc/17/22/66/171172266.db2.gz RHTBWXNGTILYQN-SNVBAGLBSA-N -1 3 248.298 2.458 20 0 BEADHM CC[C@H](C)CC(=O)Nc1ncccc1[O-] ZINC000190174202 171263630 /nfs/dbraw/zinc/26/36/30/171263630.db2.gz JWVMMSRANHJNII-QMMMGPOBSA-N -1 3 208.261 2.162 20 0 BEADHM CC[C@H](C)CCC(=O)[N-]OCc1cccnc1 ZINC000285730058 171267432 /nfs/dbraw/zinc/26/74/32/171267432.db2.gz KCBGABLPXUAHFM-NSHDSACASA-N -1 3 236.315 2.456 20 0 BEADHM CC[C@H](C)CCC(=O)Nc1nnc(SC)[n-]1 ZINC000285955136 171269256 /nfs/dbraw/zinc/26/92/56/171269256.db2.gz KIMKKBWMCYGPKD-ZETCQYMHSA-N -1 3 242.348 2.291 20 0 BEADHM CC[C@H](C)CCC(=O)Nc1nc(SC)n[n-]1 ZINC000285955136 171269257 /nfs/dbraw/zinc/26/92/57/171269257.db2.gz KIMKKBWMCYGPKD-ZETCQYMHSA-N -1 3 242.348 2.291 20 0 BEADHM CC[C@H](C)CCC(=O)Nc1n[n-]c(SC)n1 ZINC000285955136 171269258 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/nfs/dbraw/zinc/08/48/16/529084816.db2.gz RABQMDDULLWRFJ-QMMMGPOBSA-N -1 3 237.246 2.490 20 0 BEADHM CC1(C)C[C@@H]1c1nc2cccnc2c(=O)[n-]1 ZINC000416413152 487900114 /nfs/dbraw/zinc/90/01/14/487900114.db2.gz OTFXUVMLINWBPR-SSDOTTSWSA-N -1 3 215.256 2.244 20 0 BEADHM CO[C@H]1CC[C@H](C(=O)Nc2ccccc2[O-])C1 ZINC000666920814 487904111 /nfs/dbraw/zinc/90/41/11/487904111.db2.gz DUROYRWANBICDA-UWVGGRQHSA-N -1 3 235.283 2.146 20 0 BEADHM CC1(C)CCCC[C@H]1C(=O)Nc1ccncc1[O-] ZINC000562495489 323021868 /nfs/dbraw/zinc/02/18/68/323021868.db2.gz NOKWYIRASNZRHY-JTQLQIEISA-N -1 3 248.326 2.364 20 0 BEADHM CCc1nocc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000562563366 323024280 /nfs/dbraw/zinc/02/42/80/323024280.db2.gz ULZQLRJZICXSKF-PLNGDYQASA-N -1 3 231.255 2.211 20 0 BEADHM C[C@H]1CCCCCN1C(=O)Cc1cncc([O-])c1 ZINC000570292424 323055615 /nfs/dbraw/zinc/05/56/15/323055615.db2.gz OQZYWWWFNOWOEU-NSHDSACASA-N -1 3 248.326 2.121 20 0 BEADHM CC1(C)CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000570913141 323074063 /nfs/dbraw/zinc/07/40/63/323074063.db2.gz KFYKEHOYKVRJLO-UHFFFAOYSA-N -1 3 237.274 2.085 20 0 BEADHM CCc1cccc(C(=O)NCc2ccoc2)c1[O-] ZINC000531431952 323089514 /nfs/dbraw/zinc/08/95/14/323089514.db2.gz BZDIZQCOWCZGIQ-UHFFFAOYSA-N -1 3 245.278 2.478 20 0 BEADHM CCc1ccc([O-])c(C(=O)NC[C@@H]2C[C@@H]2C)c1 ZINC000522754437 323091616 /nfs/dbraw/zinc/09/16/16/323091616.db2.gz IBBHRMAHGLRDPF-ONGXEEELSA-N -1 3 233.311 2.340 20 0 BEADHM Cc1ccc(C(=O)NC[C@@H]2C[C@@H]2C)c([O-])c1C ZINC000049249896 323159413 /nfs/dbraw/zinc/15/94/13/323159413.db2.gz JJQKFTJBRFDSNQ-ONGXEEELSA-N -1 3 233.311 2.395 20 0 BEADHM C[C@H]1OCC[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000094178761 323188625 /nfs/dbraw/zinc/18/86/25/323188625.db2.gz DUFXAGBNKDZTLX-LDYMZIIASA-N -1 3 246.266 2.335 20 0 BEADHM Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2C2CCC2)n1 ZINC000572008930 323522968 /nfs/dbraw/zinc/52/29/68/323522968.db2.gz OVTGGVNKKPZLGH-WDEREUQCSA-N -1 3 246.310 2.470 20 0 BEADHM C[C@H](CC(=O)[N-]OC1CCC1)c1ccco1 ZINC000529444235 324299828 /nfs/dbraw/zinc/29/98/28/324299828.db2.gz LFWLMFKQKLNQKT-SECBINFHSA-N -1 3 223.272 2.374 20 0 BEADHM COCCC1(C(=O)Nc2ccccc2[O-])CC1 ZINC000126917681 324732488 /nfs/dbraw/zinc/73/24/88/324732488.db2.gz FAELRBDCPOXWLC-UHFFFAOYSA-N -1 3 235.283 2.147 20 0 BEADHM Cc1cccc(C(=O)Nc2cccc([O-])c2F)n1 ZINC000128220438 324812885 /nfs/dbraw/zinc/81/28/85/324812885.db2.gz DHRHYLPTGXNERQ-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM CN(C(=O)c1cccc([O-])c1)c1nccs1 ZINC000543746099 325109257 /nfs/dbraw/zinc/10/92/57/325109257.db2.gz GBAQQURBDKTQIH-UHFFFAOYSA-N -1 3 234.280 2.125 20 0 BEADHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CC=CC[C@H]2C)c1C ZINC000548796901 325485304 /nfs/dbraw/zinc/48/53/04/325485304.db2.gz BDTOGUJLIKGNHZ-MWLCHTKSSA-N -1 3 247.342 2.243 20 0 BEADHM CO[N-]C(=O)/C=C\c1ccc([C@@H]2C[C@H]2C)o1 ZINC000252453484 325687977 /nfs/dbraw/zinc/68/79/77/325687977.db2.gz LNFHPEWARYHHAM-XIWDZPRGSA-N -1 3 221.256 2.094 20 0 BEADHM Cc1cc(F)ccc1C(=O)Nc1ncccc1[O-] ZINC000153287758 325936299 /nfs/dbraw/zinc/93/62/99/325936299.db2.gz KWFRKCKZJCDMSY-UHFFFAOYSA-N -1 3 246.241 2.487 20 0 BEADHM CC[C@@H](NCc1sccc1Cl)C(=O)[O-] ZINC000566227976 326018338 /nfs/dbraw/zinc/01/83/38/326018338.db2.gz RYRGPYSYWIQOPF-SSDOTTSWSA-N -1 3 233.720 2.354 20 0 BEADHM Cc1ccc2nccc(NC[C@H](C)C(=O)[O-])c2c1 ZINC000566296831 326030208 /nfs/dbraw/zinc/03/02/08/326030208.db2.gz ILVGLAFAFRWICS-JTQLQIEISA-N -1 3 244.294 2.098 20 0 BEADHM CCC[C@H](C)S(=O)(=O)[N-][C@@H](C)C(C)(F)F ZINC000567171763 326128757 /nfs/dbraw/zinc/12/87/57/326128757.db2.gz QGEBTFGCMZYUPP-YUMQZZPRSA-N -1 3 243.319 2.138 20 0 BEADHM C/C=C/C=C/C(=O)NCc1ccc([O-])c(F)c1 ZINC000156217406 326223020 /nfs/dbraw/zinc/22/30/20/326223020.db2.gz HNWHIWXYTVHHNL-MQQKCMAXSA-N -1 3 235.258 2.280 20 0 BEADHM COCC1(CC(=O)Nc2c(C)cccc2[O-])CC1 ZINC000567950004 326287391 /nfs/dbraw/zinc/28/73/91/326287391.db2.gz ADROMQPZYWECNY-UHFFFAOYSA-N -1 3 249.310 2.456 20 0 BEADHM Cc1oc(CN(C)CCCF)cc1C(=O)[O-] ZINC000568759338 326375568 /nfs/dbraw/zinc/37/55/68/326375568.db2.gz WXXMKEQWZLMRPJ-UHFFFAOYSA-N -1 3 229.251 2.078 20 0 BEADHM CCc1cc(=O)[n-]c(CN[C@@H]2CCC2(C)C)n1 ZINC000569117533 326391501 /nfs/dbraw/zinc/39/15/01/326391501.db2.gz PPVQIIZHBJVNRS-SNVBAGLBSA-N -1 3 235.331 2.023 20 0 BEADHM C[C@@H]1CC[C@@H](C)N1Cc1ccc(C(=O)[O-])cn1 ZINC000569251678 326397919 /nfs/dbraw/zinc/39/79/19/326397919.db2.gz WFCQFCBFUXRZTM-NXEZZACHSA-N -1 3 234.299 2.153 20 0 BEADHM COc1cccc(C(=O)N2CC(C(C)C)C2)c1[O-] ZINC000677128271 487977458 /nfs/dbraw/zinc/97/74/58/487977458.db2.gz QTWIJNGFIMQMKN-UHFFFAOYSA-N -1 3 249.310 2.129 20 0 BEADHM CC(C)CCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000073974611 487985454 /nfs/dbraw/zinc/98/54/54/487985454.db2.gz KHZNOZQLOAWVHW-UHFFFAOYSA-N -1 3 248.286 2.439 20 0 BEADHM CC(C)CCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000073974611 487985457 /nfs/dbraw/zinc/98/54/57/487985457.db2.gz KHZNOZQLOAWVHW-UHFFFAOYSA-N -1 3 248.286 2.439 20 0 BEADHM CC(C)CCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000073974611 487985461 /nfs/dbraw/zinc/98/54/61/487985461.db2.gz KHZNOZQLOAWVHW-UHFFFAOYSA-N -1 3 248.286 2.439 20 0 BEADHM CC[C@H](C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000073974568 487985484 /nfs/dbraw/zinc/98/54/84/487985484.db2.gz BJTHGWVIBJIPAM-ZETCQYMHSA-N -1 3 234.259 2.049 20 0 BEADHM CC[C@H](C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000073974568 487985488 /nfs/dbraw/zinc/98/54/88/487985488.db2.gz BJTHGWVIBJIPAM-ZETCQYMHSA-N -1 3 234.259 2.049 20 0 BEADHM CC[C@H](C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000073974568 487985491 /nfs/dbraw/zinc/98/54/91/487985491.db2.gz BJTHGWVIBJIPAM-ZETCQYMHSA-N -1 3 234.259 2.049 20 0 BEADHM Cc1ccnc(CN2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000257654030 488077312 /nfs/dbraw/zinc/07/73/12/488077312.db2.gz GXBDJSDPJFIZMQ-CYBMUJFWSA-N -1 3 248.326 2.219 20 0 BEADHM C[C@@H]1CC[C@H](C)N1Cc1ccc(C(=O)[O-])o1 ZINC000516777835 488107744 /nfs/dbraw/zinc/10/77/44/488107744.db2.gz SFBYNDDCYLXPHX-DTORHVGOSA-N -1 3 223.272 2.351 20 0 BEADHM O=C(CCn1cccc1)Nc1cccc([O-])c1F ZINC000677801311 488124744 /nfs/dbraw/zinc/12/47/44/488124744.db2.gz WBFCJQMITOXDDA-UHFFFAOYSA-N -1 3 248.257 2.362 20 0 BEADHM O=C([O-])c1ccccc1OCCN1CC=CCC1 ZINC000382543777 487545682 /nfs/dbraw/zinc/54/56/82/487545682.db2.gz XKUYDJLPFIQDLR-UHFFFAOYSA-N -1 3 247.294 2.026 20 0 BEADHM [O-]c1coc2cc(OCC3CCOCC3)ccc12 ZINC000062805321 487502715 /nfs/dbraw/zinc/50/27/15/487502715.db2.gz HIRRSQZPZUUPSS-UHFFFAOYSA-N -1 3 248.278 2.067 20 0 BEADHM C[C@H]1C[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000063063765 487511771 /nfs/dbraw/zinc/51/17/71/487511771.db2.gz KDZWXAQKQCZVRQ-GXSJLCMTSA-N -1 3 231.295 2.327 20 0 BEADHM C[C@H]1C[C@@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000063063763 487511779 /nfs/dbraw/zinc/51/17/79/487511779.db2.gz KDZWXAQKQCZVRQ-ONGXEEELSA-N -1 3 231.295 2.327 20 0 BEADHM O=C([O-])CCCN1CC[C@@H]1c1cccc(F)c1 ZINC000680019413 487519080 /nfs/dbraw/zinc/51/90/80/487519080.db2.gz YYLGXKBMLOTTJR-GFCCVEGCSA-N -1 3 237.274 2.437 20 0 BEADHM CCC[C@H](C)NC(=O)c1cc(OC)ccc1[O-] ZINC000052076848 487520217 /nfs/dbraw/zinc/52/02/17/487520217.db2.gz PBZXEDHRILVVIP-VIFPVBQESA-N -1 3 237.299 2.319 20 0 BEADHM Cc1ccc(CN(C)CCCCC(=O)[O-])o1 ZINC000035700043 487882686 /nfs/dbraw/zinc/88/26/86/487882686.db2.gz QOSSYVAJRVJJKF-UHFFFAOYSA-N -1 3 225.288 2.275 20 0 BEADHM C[C@@H](O)C1(NCc2cccc([O-])c2Cl)CC1 ZINC000668702121 488137733 /nfs/dbraw/zinc/13/77/33/488137733.db2.gz WIZFNNLCPZPPCC-MRVPVSSYSA-N -1 3 241.718 2.049 20 0 BEADHM O=C(Nc1cc(F)ccc1[O-])c1nccs1 ZINC000683555960 488194275 /nfs/dbraw/zinc/19/42/75/488194275.db2.gz ARHWCURDESWGAD-UHFFFAOYSA-N -1 3 238.243 2.240 20 0 BEADHM C[C@@H]1C[C@@H]1c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000643894706 488205724 /nfs/dbraw/zinc/20/57/24/488205724.db2.gz OXBQPMJKOFFBLL-SVRRBLITSA-N -1 3 241.254 2.131 20 0 BEADHM COc1cccc(C(=O)N2CCC[C@H]3C[C@H]32)c1[O-] ZINC000672124007 488238267 /nfs/dbraw/zinc/23/82/67/488238267.db2.gz WWBQNZIOPNULMN-GXSJLCMTSA-N -1 3 247.294 2.025 20 0 BEADHM CCC[C@H](C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000678613995 488272584 /nfs/dbraw/zinc/27/25/84/488272584.db2.gz LTAAZEBFDTVEMK-QMMMGPOBSA-N -1 3 231.317 2.055 20 0 BEADHM Cc1ccc([O-])c(CN2CC(C(C)C)C2)n1 ZINC000684409456 488308243 /nfs/dbraw/zinc/30/82/43/488308243.db2.gz VVNQVVGUMRUKKL-UHFFFAOYSA-N -1 3 220.316 2.183 20 0 BEADHM Cc1ccc(CN2CCC[C@H](CC(=O)[O-])C2)cn1 ZINC000228886624 490306217 /nfs/dbraw/zinc/30/62/17/490306217.db2.gz SFZHBUDJYXPOSP-GFCCVEGCSA-N -1 3 248.326 2.077 20 0 BEADHM Cc1ccc(CN2CCC[C@](C)(C(=O)[O-])C2)cn1 ZINC000228887033 490306305 /nfs/dbraw/zinc/30/63/05/490306305.db2.gz HRLLDEKEINHTHC-AWEZNQCLSA-N -1 3 248.326 2.077 20 0 BEADHM Cc1cc(C(=O)NC[C@@H](C)C2CC2)ccc1[O-] ZINC000227022317 491053919 /nfs/dbraw/zinc/05/39/19/491053919.db2.gz PNYFTDXHVVAETH-SNVBAGLBSA-N -1 3 233.311 2.477 20 0 BEADHM C[C@@H]1CC[C@@H](C)N1C(=O)/C=C\c1cncc([O-])c1 ZINC000492470181 534142311 /nfs/dbraw/zinc/14/23/11/534142311.db2.gz FFPNFEUKKJMEFU-ADRPCIBZSA-N -1 3 246.310 2.200 20 0 BEADHM C[C@H](N(C)c1cc(=O)[n-]cn1)C(C)(C)C ZINC000891720438 582714400 /nfs/dbraw/zinc/71/44/00/582714400.db2.gz KZIVTYFYLGGGDA-QMMMGPOBSA-N -1 3 209.293 2.053 20 0 BEADHM Cc1ccc(/C=C\C(=O)[N-]OC/C=C/Cl)o1 ZINC000492950753 534250545 /nfs/dbraw/zinc/25/05/45/534250545.db2.gz LHDPHDFVIWITBU-HPZSKFQUSA-N -1 3 241.674 2.402 20 0 BEADHM Cc1cncc(/C=C/C(=O)[N-]OC2CCC2)c1 ZINC000493826042 534674219 /nfs/dbraw/zinc/67/42/19/534674219.db2.gz QXSJZQAJUNAMKL-AATRIKPKSA-N -1 3 232.283 2.004 20 0 BEADHM Cn1ccc(/C=C\C(=O)[N-]OC2CCCC2)c1 ZINC000492951262 534766429 /nfs/dbraw/zinc/76/64/29/534766429.db2.gz MAZUGBVTLOSQLM-SREVYHEPSA-N -1 3 234.299 2.029 20 0 BEADHM CC(C)[C@H]1CCN1C(=O)/C=C\c1cncc([O-])c1 ZINC000492521808 527801379 /nfs/dbraw/zinc/80/13/79/527801379.db2.gz RIYDMTDMGYEMHD-DHCBQETCSA-N -1 3 246.310 2.057 20 0 BEADHM CCCN(CC)C(=O)/C=C\c1cncc([O-])c1 ZINC000492472076 527947087 /nfs/dbraw/zinc/94/70/87/527947087.db2.gz JPKWLJVQKPWEEU-WAYWQWQTSA-N -1 3 234.299 2.059 20 0 BEADHM CCCO[N-]C(=O)/C=C\SCc1ccco1 ZINC000493285063 528599368 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MCLVWKQQOUDKCT-UHFFFAOYSA-N -1 3 244.294 2.318 20 0 BEADHM O=C([N-]c1ncsc1C1CC1)c1ccon1 ZINC000893272229 583081877 /nfs/dbraw/zinc/08/18/77/583081877.db2.gz KKYQWDINQVPPQT-UHFFFAOYSA-N -1 3 235.268 2.261 20 0 BEADHM C[C@]1(C(=O)[N-]OCC2CCC2)C[C@H]2C[C@H]2C1 ZINC000856351554 583118116 /nfs/dbraw/zinc/11/81/16/583118116.db2.gz IQSBMJFEEHPTFR-PJXYFTJBSA-N -1 3 223.316 2.271 20 0 BEADHM CCOc1cc(=NOCC(C)C)[n-]c(C)n1 ZINC000853465713 588744541 /nfs/dbraw/zinc/74/45/41/588744541.db2.gz XBOQLPSOIHHKSA-UHFFFAOYSA-N -1 3 225.292 2.183 20 0 BEADHM CCOc1cc(=NOCC(C)C)nc(C)[n-]1 ZINC000853465713 588744542 /nfs/dbraw/zinc/74/45/42/588744542.db2.gz XBOQLPSOIHHKSA-UHFFFAOYSA-N -1 3 225.292 2.183 20 0 BEADHM CC(=O)[N-]OCCSc1cccc(Cl)c1 ZINC000853660485 588753415 /nfs/dbraw/zinc/75/34/15/588753415.db2.gz AFOSQZGFVJCTOF-UHFFFAOYSA-N -1 3 245.731 2.500 20 0 BEADHM CC(C)(C)CC(=O)[N-]O[C@@H]1COC(C)(C)C1 ZINC000853706766 588758416 /nfs/dbraw/zinc/75/84/16/588758416.db2.gz PYWMEJFZDYOVBT-VIFPVBQESA-N -1 3 229.320 2.038 20 0 BEADHM CCOC([O-])=NOC[C@@H]1CCCC[C@H]1C ZINC000853725908 588759603 /nfs/dbraw/zinc/75/96/03/588759603.db2.gz HBQOARIHESIPBK-ZJUUUORDSA-N -1 3 215.293 2.490 20 0 BEADHM CCOC(=O)[N-]OC[C@@H]1CCCC[C@H]1C ZINC000853725908 588759604 /nfs/dbraw/zinc/75/96/04/588759604.db2.gz HBQOARIHESIPBK-ZJUUUORDSA-N -1 3 215.293 2.490 20 0 BEADHM CC(C)c1cccc(COC(=O)c2cnn[n-]2)c1 ZINC000853918279 588768874 /nfs/dbraw/zinc/76/88/74/588768874.db2.gz KDZHBHVWJLSOEV-UHFFFAOYSA-N -1 3 245.282 2.285 20 0 BEADHM CC(C)c1cccc(COC(=O)c2c[n-]nn2)c1 ZINC000853918279 588768875 /nfs/dbraw/zinc/76/88/75/588768875.db2.gz KDZHBHVWJLSOEV-UHFFFAOYSA-N -1 3 245.282 2.285 20 0 BEADHM C[C@@H]1CCCC[C@H]1C[N-]C(=O)C(F)(F)F ZINC000112022443 588780470 /nfs/dbraw/zinc/78/04/70/588780470.db2.gz NVCPPYLLAYMUPP-SFYZADRCSA-N -1 3 223.238 2.491 20 0 BEADHM CC(=O)C(C)(C)CCC(=O)[N-]Oc1ccccc1 ZINC000854537018 588791511 /nfs/dbraw/zinc/79/15/11/588791511.db2.gz NAOJWLPZUMVUSP-UHFFFAOYSA-N -1 3 249.310 2.492 20 0 BEADHM Cc1cc(F)c(C(=O)[N-]OC2CCC2)c(F)c1 ZINC000854753267 588805363 /nfs/dbraw/zinc/80/53/63/588805363.db2.gz WIWLZLZWCBKTBQ-UHFFFAOYSA-N -1 3 241.237 2.487 20 0 BEADHM CCC(F)(F)C(=O)[N-][C@H]1C[C@@H](C)n2ccnc21 ZINC000854845194 588813178 /nfs/dbraw/zinc/81/31/78/588813178.db2.gz KTHNYJNUVIFKCR-SFYZADRCSA-N -1 3 243.257 2.050 20 0 BEADHM CC[C@@H](C)N(CC)C(=O)/C=C/c1cncc([O-])c1 ZINC000855146465 588824233 /nfs/dbraw/zinc/82/42/33/588824233.db2.gz XFYXFPHWNUOFEL-XUIVZRPNSA-N -1 3 248.326 2.447 20 0 BEADHM Nc1ccc(C(=O)Nc2ccccc2[O-])cc1 ZINC000005933947 582478174 /nfs/dbraw/zinc/47/81/74/582478174.db2.gz PDVAQOZYCDZDGZ-UHFFFAOYSA-N -1 3 228.251 2.227 20 0 BEADHM Cc1ccc(C(=O)N[C@@H]2C=CCC2)c([O-])c1C ZINC000855429476 588834555 /nfs/dbraw/zinc/83/45/55/588834555.db2.gz INMJOAJELVSZES-LLVKDONJSA-N -1 3 231.295 2.457 20 0 BEADHM CCc1cc(C(=O)N[C@H]2C=CCC2)ccc1[O-] ZINC000855432655 588835478 /nfs/dbraw/zinc/83/54/78/588835478.db2.gz MGTHLBBGMKFMKW-LBPRGKRZSA-N -1 3 231.295 2.403 20 0 BEADHM CC(C)OCCO[N-]C(=O)CCC(C)(C)C ZINC000812809522 582567098 /nfs/dbraw/zinc/56/70/98/582567098.db2.gz ZPAUCTNVVNICJY-UHFFFAOYSA-N -1 3 231.336 2.286 20 0 BEADHM O=c1cc(N(Cc2cccs2)C2CC2)nc[n-]1 ZINC000891714692 582712125 /nfs/dbraw/zinc/71/21/25/582712125.db2.gz VDPXGOUCCLAFPY-UHFFFAOYSA-N -1 3 247.323 2.413 20 0 BEADHM CCSCC[C@@H](C)N(C)c1cc(=O)[n-]cn1 ZINC000892763375 582978421 /nfs/dbraw/zinc/97/84/21/582978421.db2.gz LWEAYEVENFHIIA-SECBINFHSA-N -1 3 241.360 2.150 20 0 BEADHM CC(C)(C)C[C@@H](O)CC(=O)[N-]OCC1CCC1 ZINC000856351915 588870057 /nfs/dbraw/zinc/87/00/57/588870057.db2.gz PXKIENGYVMWYHT-NSHDSACASA-N -1 3 243.347 2.022 20 0 BEADHM CC[C@H](Nc1cc(=O)[n-]cn1)c1c(C)noc1C ZINC000892998876 583027070 /nfs/dbraw/zinc/02/70/70/583027070.db2.gz QFYHHGUWKBOUHL-VIFPVBQESA-N -1 3 248.286 2.350 20 0 BEADHM O=C(CCCC(=O)C1CC1)[N-]Oc1ccccc1 ZINC000854537549 583087859 /nfs/dbraw/zinc/08/78/59/583087859.db2.gz PSRHSSFKLMCLNK-UHFFFAOYSA-N -1 3 247.294 2.246 20 0 BEADHM O=C([N-]OCC1CCC1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000856342196 588868115 /nfs/dbraw/zinc/86/81/15/588868115.db2.gz PEYHBHQAKFSEAB-KGYLQXTDSA-N -1 3 235.327 2.437 20 0 BEADHM CSc1ccc([O-])c(C(=O)N2CC3(CC3)C2)c1 ZINC000854684988 583090078 /nfs/dbraw/zinc/09/00/78/583090078.db2.gz AGIBXTBKYAYQFP-UHFFFAOYSA-N -1 3 249.335 2.350 20 0 BEADHM C/C(=C/c1ccccn1)C(=O)[N-]OCC1CCC1 ZINC000856342151 588868187 /nfs/dbraw/zinc/86/81/87/588868187.db2.gz NYLQWEXKZNBVLT-LUAWRHEFSA-N -1 3 246.310 2.333 20 0 BEADHM O=C(CC1CCCC1)[N-]OCC1CCC1 ZINC000856343225 588868446 /nfs/dbraw/zinc/86/84/46/588868446.db2.gz ZLWBRZCSTGXEOP-UHFFFAOYSA-N -1 3 211.305 2.415 20 0 BEADHM Cc1ccc(C(=O)NOCC2CCC2)c([O-])c1C ZINC000856349539 588869594 /nfs/dbraw/zinc/86/95/94/588869594.db2.gz IBSCSKFZDOMEHX-UHFFFAOYSA-N -1 3 249.310 2.471 20 0 BEADHM O=C(CCc1ccc(O)cc1)[N-]OCC1CCC1 ZINC000856349772 588869760 /nfs/dbraw/zinc/86/97/60/588869760.db2.gz JEJRMQCEWSECFO-UHFFFAOYSA-N -1 3 249.310 2.173 20 0 BEADHM Cc1ccc([O-])c(CN[C@H]2CCCC2(F)F)n1 ZINC000398013958 583116728 /nfs/dbraw/zinc/11/67/28/583116728.db2.gz UZWAFKJXZNWXPE-NSHDSACASA-N -1 3 242.269 2.373 20 0 BEADHM O=C(N[C@@H]1CCCC1(F)F)c1ccccc1[O-] ZINC000398400550 583130643 /nfs/dbraw/zinc/13/06/43/583130643.db2.gz WEFUIIUKCLGBKW-SNVBAGLBSA-N -1 3 241.237 2.310 20 0 BEADHM CC(C)CON=C([O-])Nc1ccnc(F)c1F ZINC000856912710 588879534 /nfs/dbraw/zinc/87/95/34/588879534.db2.gz QJHRAKKTRHOFKC-UHFFFAOYSA-N -1 3 245.229 2.069 20 0 BEADHM CC(C)CO[N-]C(=O)Nc1ccnc(F)c1F ZINC000856912710 588879535 /nfs/dbraw/zinc/87/95/35/588879535.db2.gz QJHRAKKTRHOFKC-UHFFFAOYSA-N -1 3 245.229 2.069 20 0 BEADHM Cc1nc(N2CCC3(CCC3)CC2)cc(=O)[n-]1 ZINC000893836525 583228785 /nfs/dbraw/zinc/22/87/85/583228785.db2.gz QEESWDJHZHPJIK-UHFFFAOYSA-N -1 3 233.315 2.261 20 0 BEADHM CC1(C(=O)[N-]OCc2ccccc2)CCOCC1 ZINC000726768411 583373686 /nfs/dbraw/zinc/37/36/86/583373686.db2.gz SFAJWJZNEWPCBY-UHFFFAOYSA-N -1 3 249.310 2.051 20 0 BEADHM CC(C)Cc1coc([N-]C(=O)c2cocn2)n1 ZINC000894441108 583457914 /nfs/dbraw/zinc/45/79/14/583457914.db2.gz HCECDBNEJFWUIJ-UHFFFAOYSA-N -1 3 235.243 2.113 20 0 BEADHM C[C@H]1CN(Cc2ccc([O-])c(F)c2)[C@H]1C ZINC000894627318 583495175 /nfs/dbraw/zinc/49/51/75/583495175.db2.gz FUPJXTUXZRZRNZ-IUCAKERBSA-N -1 3 209.264 2.372 20 0 BEADHM C[C@@H]1[C@H](O)CCN1Cc1cc([O-])cc(Cl)c1 ZINC000894754092 583515918 /nfs/dbraw/zinc/51/59/18/583515918.db2.gz QUUBSJCMHWUJLH-PRHODGIISA-N -1 3 241.718 2.001 20 0 BEADHM Cc1nc(N2CCC(CCF)CC2)cc(=O)[n-]1 ZINC000894905751 583553781 /nfs/dbraw/zinc/55/37/81/583553781.db2.gz JBFKOMGIPDDHOZ-UHFFFAOYSA-N -1 3 239.294 2.067 20 0 BEADHM O=c1cc(NCC[C@H]2CCCC2(F)F)nc[n-]1 ZINC000895131921 583601113 /nfs/dbraw/zinc/60/11/13/583601113.db2.gz MWXQGZOEWUGGFY-MRVPVSSYSA-N -1 3 243.257 2.420 20 0 BEADHM O=C([N-]C1(C2CC2)CCC1)C(F)(F)C(F)F ZINC000895359737 583659315 /nfs/dbraw/zinc/65/93/15/583659315.db2.gz HQGGHBFTFCRHPH-UHFFFAOYSA-N -1 3 239.212 2.336 20 0 BEADHM CCO[N-]C(=O)CCCCc1ccccc1 ZINC000895525880 583684354 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/nfs/dbraw/zinc/20/64/58/584206458.db2.gz ZOVPMEWILKKPQU-SFYZADRCSA-N -1 3 236.237 2.428 20 0 BEADHM CCc1ccc([O-])c(C(=O)N(C)CCCF)c1 ZINC000899816220 584240859 /nfs/dbraw/zinc/24/08/59/584240859.db2.gz QHDRQMHSYBVGKX-UHFFFAOYSA-N -1 3 239.290 2.386 20 0 BEADHM Cc1oc(C(C)(C)C)cc1CNCCC(=O)[O-] ZINC000900023367 584267825 /nfs/dbraw/zinc/26/78/25/584267825.db2.gz WEGRGZMIUJAUJR-UHFFFAOYSA-N -1 3 239.315 2.450 20 0 BEADHM COCc1nnc([N-][C@@H](C)c2ccccc2)o1 ZINC000901409906 584440425 /nfs/dbraw/zinc/44/04/25/584440425.db2.gz ZRNQHEYSXRRVLW-VIFPVBQESA-N -1 3 233.271 2.389 20 0 BEADHM CCCCn1c(=O)[n-]nc1S[C@@H](C)OCC ZINC000901402579 584443235 /nfs/dbraw/zinc/44/32/35/584443235.db2.gz NDAJPOCKZVUWJJ-QMMMGPOBSA-N -1 3 245.348 2.258 20 0 BEADHM CCc1ccc(CN[C@H](C)[C@H](C)C(=O)[O-])o1 ZINC000901445270 584446639 /nfs/dbraw/zinc/44/66/39/584446639.db2.gz NOYONCXYIOGWRF-DTWKUNHWSA-N -1 3 225.288 2.041 20 0 BEADHM CSc1ccc(CN[C@@H](C)[C@@H](C)C(=O)[O-])o1 ZINC000901449884 584447901 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/nfs/dbraw/zinc/48/10/83/584481083.db2.gz WHWDNIQKDVJWJB-UHFFFAOYSA-N -1 3 249.310 2.269 20 0 BEADHM COc1ccccc1CNC1(CC(=O)[O-])CCC1 ZINC000901706726 584486383 /nfs/dbraw/zinc/48/63/83/584486383.db2.gz JGTWAJTXYALWFQ-UHFFFAOYSA-N -1 3 249.310 2.182 20 0 BEADHM O=C([O-])[C@@H](CC(F)F)NCc1cccc(F)c1 ZINC000901813666 584499417 /nfs/dbraw/zinc/49/94/17/584499417.db2.gz RGDVXHIPKXSULO-SECBINFHSA-N -1 3 247.216 2.024 20 0 BEADHM CC(C)[C@@](C)(CC(=O)[O-])NCc1cscn1 ZINC000901816686 584499469 /nfs/dbraw/zinc/49/94/69/584499469.db2.gz IMKPVGDCXGZEHS-LLVKDONJSA-N -1 3 242.344 2.122 20 0 BEADHM CC1(CN2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)CC1 ZINC000901909348 584505113 /nfs/dbraw/zinc/50/51/13/584505113.db2.gz BQSKJUIMVBWYTD-ZDUSSCGKSA-N -1 3 241.306 2.065 20 0 BEADHM CC[C@H]1CC[C@H]1NCc1cc(C(=O)[O-])co1 ZINC000901953975 584507801 /nfs/dbraw/zinc/50/78/01/584507801.db2.gz IZRCQSXSPUFZGK-GZMMTYOYSA-N -1 3 223.272 2.256 20 0 BEADHM O=C([O-])CCN(Cc1ccc(Cl)o1)C1CC1 ZINC000901971869 584509131 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584525202 /nfs/dbraw/zinc/52/52/02/584525202.db2.gz ROIRJPKQXKLWFT-SREVYHEPSA-N -1 3 223.272 2.219 20 0 BEADHM CCN(CC)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902126845 584528987 /nfs/dbraw/zinc/52/89/87/584528987.db2.gz IFZQMWFGHHTGAN-FPLPWBNLSA-N -1 3 223.272 2.219 20 0 BEADHM C[C@@H]1C[C@H]1CNCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902145315 584530785 /nfs/dbraw/zinc/53/07/85/584530785.db2.gz RGRKUBNIQRHRJZ-CFUOYWMPSA-N -1 3 235.283 2.123 20 0 BEADHM C[C@@H]1CCN(Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000902240208 584543706 /nfs/dbraw/zinc/54/37/06/584543706.db2.gz OAYCYJRIPIRAGQ-UMCURTJPSA-N -1 3 235.283 2.219 20 0 BEADHM O=C([O-])/C=C/c1ccc(CN[C@H]2CC23CC3)o1 ZINC000902273927 584550474 /nfs/dbraw/zinc/55/04/74/584550474.db2.gz QBPRMQWMLZZOKS-UFFNRZRYSA-N -1 3 233.267 2.020 20 0 BEADHM CCC1(NCc2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC000902449149 584605519 /nfs/dbraw/zinc/60/55/19/584605519.db2.gz BMYQNLPBUVBOPS-WAYWQWQTSA-N -1 3 235.283 2.410 20 0 BEADHM CCOC([O-])=NOCCCC(C)(F)F ZINC000902449602 584606204 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584836818 /nfs/dbraw/zinc/83/68/18/584836818.db2.gz LCQKTOQNFUSROC-NSHDSACASA-N -1 3 239.315 2.425 20 0 BEADHM CCONC(=O)N([O-])Cc1ccccc1Cl ZINC000904182995 584844784 /nfs/dbraw/zinc/84/47/84/584844784.db2.gz UAQMXJIMYOGJTL-UHFFFAOYSA-N -1 3 244.678 2.192 20 0 BEADHM C[C@H](NCc1ccc(C2CC2)cc1F)C(=O)[O-] ZINC000904242467 584858269 /nfs/dbraw/zinc/85/82/69/584858269.db2.gz MYNVYXYDIREPNP-QMMMGPOBSA-N -1 3 237.274 2.266 20 0 BEADHM O=C([N-]c1ccon1)c1coc2c1C(=O)CCC2 ZINC000827712938 584900809 /nfs/dbraw/zinc/90/08/09/584900809.db2.gz ABBCPKWBFNXLBS-UHFFFAOYSA-N -1 3 246.222 2.039 20 0 BEADHM CO/C(=C\c1ccccc1)C(=O)[N-]OC(C)C ZINC000836799020 584937183 /nfs/dbraw/zinc/93/71/83/584937183.db2.gz RELDAVLMXFMYKV-XFXZXTDPSA-N -1 3 235.283 2.130 20 0 BEADHM CC(C)c1cnc(CO[N-]C(=O)C(C)(C)C)o1 ZINC000733307361 584946907 /nfs/dbraw/zinc/94/69/07/584946907.db2.gz KZJCJYTVHLOUEL-UHFFFAOYSA-N -1 3 240.303 2.392 20 0 BEADHM O=C(O[C@@H]1C=CCCC1)c1cncc([O-])c1 ZINC000733496094 584949939 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585011266 /nfs/dbraw/zinc/01/12/66/585011266.db2.gz KQDFIOQUILMIJO-UHFFFAOYSA-N -1 3 243.262 2.453 20 0 BEADHM C[C@H]1c2ccccc2OCCN1CCCC(=O)[O-] ZINC000736840761 585017007 /nfs/dbraw/zinc/01/70/07/585017007.db2.gz SODDLQIOKYKXAN-NSHDSACASA-N -1 3 249.310 2.307 20 0 BEADHM COc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000742221586 585029989 /nfs/dbraw/zinc/02/99/89/585029989.db2.gz PBJYDXOPMCXRRE-DAXSKMNVSA-N -1 3 228.251 2.361 20 0 BEADHM CN(C(=O)[O-])C1CCN([C@H]2C=CCCC2)CC1 ZINC000737939513 585039745 /nfs/dbraw/zinc/03/97/45/585039745.db2.gz OBNDEQNRTBHSDY-LBPRGKRZSA-N -1 3 238.331 2.169 20 0 BEADHM O=C(OCCF)c1cc2ccsc2[n-]1 ZINC000739321863 585063389 /nfs/dbraw/zinc/06/33/89/585063389.db2.gz QWSLXLADZZZZLC-UHFFFAOYSA-N -1 3 213.233 2.356 20 0 BEADHM CCO[N-]C(=O)Cc1c[nH]c2cccc(C)c12 ZINC000103429180 585102416 /nfs/dbraw/zinc/10/24/16/585102416.db2.gz FMDHQEREOYEQTJ-UHFFFAOYSA-N -1 3 232.283 2.087 20 0 BEADHM COc1cccc(C=Cc2nccc(=O)[n-]2)c1 ZINC000742219605 585123234 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JVBNATAMYFRJJN-UHFFFAOYSA-N -1 3 231.336 2.287 20 0 BEADHM COCCCO[N-]C(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000805038835 585256837 /nfs/dbraw/zinc/25/68/37/585256837.db2.gz FWTPKLRIIIZXCH-VXGBXAGGSA-N -1 3 243.347 2.287 20 0 BEADHM COCCCO[N-]C(=O)CC1CCCCCC1 ZINC000805044213 585261324 /nfs/dbraw/zinc/26/13/24/585261324.db2.gz INADVWBUWNHXGD-UHFFFAOYSA-N -1 3 243.347 2.431 20 0 BEADHM C[C@@H]1CC/C(=C/C(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000753603049 585263412 /nfs/dbraw/zinc/26/34/12/585263412.db2.gz RLPPQYXHHIZODA-QOSJXDEASA-N -1 3 239.315 2.307 20 0 BEADHM CCC1(C(=O)[N-]OCCCOC)CCCCC1 ZINC000805045661 585264543 /nfs/dbraw/zinc/26/45/43/585264543.db2.gz TVIOECOAJAEEGB-UHFFFAOYSA-N -1 3 243.347 2.431 20 0 BEADHM COCCCO[N-]C(=O)CC1CCCCC1 ZINC000805045057 585265911 /nfs/dbraw/zinc/26/59/11/585265911.db2.gz KHNOYLVNYYXPHW-UHFFFAOYSA-N -1 3 229.320 2.041 20 0 BEADHM O=Cc1c[nH]nc1C=Cc1ccc([O-])c(F)c1 ZINC000755589045 585302113 /nfs/dbraw/zinc/30/21/13/585302113.db2.gz LUENJWAIOAARHT-IWQZZHSRSA-N -1 3 232.214 2.237 20 0 BEADHM CC(=O)c1ccc(C(=O)[N-]c2ccon2)c(F)c1 ZINC000755767315 585306325 /nfs/dbraw/zinc/30/63/25/585306325.db2.gz BKSHPKQUATXHRJ-UHFFFAOYSA-N -1 3 248.213 2.269 20 0 BEADHM CC(C)CCCCCC(=O)[N-]OCC(C)(C)O ZINC000839738172 585337861 /nfs/dbraw/zinc/33/78/61/585337861.db2.gz CCMYHBWERXUWIW-UHFFFAOYSA-N -1 3 245.363 2.412 20 0 BEADHM C[C@H]1CCCC[C@@H]1CC(=O)[N-]OCC(C)(C)O ZINC000839740941 585339510 /nfs/dbraw/zinc/33/95/10/585339510.db2.gz LKAHDRYSSUKZQK-WDEREUQCSA-N -1 3 243.347 2.022 20 0 BEADHM CC(C)CCCCC(=O)[N-]OCC(C)(C)O ZINC000839745514 585340087 /nfs/dbraw/zinc/34/00/87/585340087.db2.gz ODFFYVBSLRYITF-UHFFFAOYSA-N -1 3 231.336 2.022 20 0 BEADHM CON(C(=O)c1cccc([O-])c1)C1CCCC1 ZINC000757631898 585343388 /nfs/dbraw/zinc/34/33/88/585343388.db2.gz DORVRLRWYFPSGN-UHFFFAOYSA-N -1 3 235.283 2.338 20 0 BEADHM Cc1cc([O-])ccc1C(=O)OCc1cccnc1 ZINC000758528925 585356769 /nfs/dbraw/zinc/35/67/69/585356769.db2.gz DOPQFYLZKOWEBU-UHFFFAOYSA-N -1 3 243.262 2.453 20 0 BEADHM CC[C@@H](CC(=O)[N-]OCC(F)F)C(C)C ZINC000759330453 585367688 /nfs/dbraw/zinc/36/76/88/585367688.db2.gz HBCOJEBFNAFJOG-QMMMGPOBSA-N -1 3 223.263 2.372 20 0 BEADHM O=C(/C=C/c1ccccc1F)[N-]OCC(F)F ZINC000759332211 585368508 /nfs/dbraw/zinc/36/85/08/585368508.db2.gz YJJRZUSQNCXHEY-AATRIKPKSA-N -1 3 245.200 2.152 20 0 BEADHM C/C=C(/C)C(=O)Nc1cc(F)ccc1[O-] ZINC000759701504 585378840 /nfs/dbraw/zinc/37/88/40/585378840.db2.gz CCGYOXQDPXJHSY-CLTKARDFSA-N -1 3 209.220 2.436 20 0 BEADHM Cc1cccc(NC([O-])=NOCC(F)F)c1F ZINC000760007729 585384197 /nfs/dbraw/zinc/38/41/97/585384197.db2.gz IOXDPZGRESDTOV-UHFFFAOYSA-N -1 3 248.204 2.452 20 0 BEADHM Cc1cccc(NC(=O)[N-]OCC(F)F)c1F ZINC000760007729 585384198 /nfs/dbraw/zinc/38/41/98/585384198.db2.gz IOXDPZGRESDTOV-UHFFFAOYSA-N -1 3 248.204 2.452 20 0 BEADHM CCCN(Cc1nc(C)cc(=O)[n-]1)CC(C)C ZINC000761861938 585420878 /nfs/dbraw/zinc/42/08/78/585420878.db2.gz YLMDDHLKAIMLRK-UHFFFAOYSA-N -1 3 237.347 2.359 20 0 BEADHM Cc1cc(=O)[n-]c(CN(CC2CC2)C(C)C)n1 ZINC000761864983 585420935 /nfs/dbraw/zinc/42/09/35/585420935.db2.gz MAYHSMJJKCWFFP-UHFFFAOYSA-N -1 3 235.331 2.111 20 0 BEADHM CCc1ccc(OC(=O)c2cn[n-]c2)c(OC)c1 ZINC000762194073 585428964 /nfs/dbraw/zinc/42/89/64/585428964.db2.gz XLZNBUFKEYADGG-UHFFFAOYSA-N -1 3 246.266 2.200 20 0 BEADHM CS/C=C\C(=O)Nc1cccc([O-])c1F ZINC000762321610 585430832 /nfs/dbraw/zinc/43/08/32/585430832.db2.gz SBNGDDLGVPPVHK-WAYWQWQTSA-N -1 3 227.260 2.347 20 0 BEADHM CCC1(C(=O)[N-]OCCOC)CCCCC1 ZINC000764204089 585461517 /nfs/dbraw/zinc/46/15/17/585461517.db2.gz IMYYWNNAWBRBLH-UHFFFAOYSA-N -1 3 229.320 2.041 20 0 BEADHM O=c1ccnc(C=Cc2cnc3ccccn23)[n-]1 ZINC000764436386 585465605 /nfs/dbraw/zinc/46/56/05/585465605.db2.gz SYOUGSSRLACUFJ-PLNGDYQASA-N -1 3 238.250 2.000 20 0 BEADHM COc1ccsc1C=Cc1nccc(=O)[n-]1 ZINC000764435643 585465633 /nfs/dbraw/zinc/46/56/33/585465633.db2.gz OWKZLVMGKVSODX-IHWYPQMZSA-N -1 3 234.280 2.423 20 0 BEADHM Cc1cccc(F)c1NC([O-])=NOCC(F)F ZINC000764684630 585471081 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/nfs/dbraw/zinc/62/37/88/585623788.db2.gz DCALPWZVRXFAEJ-UHFFFAOYSA-N -1 3 244.298 2.205 20 0 BEADHM CC(C)c1cccc(N(C)C(=O)c2nc[n-]n2)c1 ZINC000772783419 585623789 /nfs/dbraw/zinc/62/37/89/585623789.db2.gz DCALPWZVRXFAEJ-UHFFFAOYSA-N -1 3 244.298 2.205 20 0 BEADHM CCc1ccc(N(CC)C(=O)c2nnc[n-]2)cc1 ZINC000773276330 585634520 /nfs/dbraw/zinc/63/45/20/585634520.db2.gz VFJIQADDAJUALT-UHFFFAOYSA-N -1 3 244.298 2.034 20 0 BEADHM CCc1ccc(N(CC)C(=O)c2nc[n-]n2)cc1 ZINC000773276330 585634521 /nfs/dbraw/zinc/63/45/21/585634521.db2.gz VFJIQADDAJUALT-UHFFFAOYSA-N -1 3 244.298 2.034 20 0 BEADHM CS[C@@H](C)CCC(=O)[N-]OCC(C)C ZINC000773317254 585635036 /nfs/dbraw/zinc/63/50/36/585635036.db2.gz GFFMKJCWRCXOQN-VIFPVBQESA-N -1 3 219.350 2.222 20 0 BEADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCC=CO1 ZINC000773699219 585642548 /nfs/dbraw/zinc/64/25/48/585642548.db2.gz OQLXEXKLSSYJGD-NSHDSACASA-N -1 3 237.230 2.163 20 0 BEADHM CC(C)(C)C(=O)[N-]OCc1ncc(Cl)s1 ZINC000774761625 585665375 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ZINC000819780655 586994105 /nfs/dbraw/zinc/99/41/05/586994105.db2.gz IGPYUPARJDVHLH-KBVBSXBZSA-N -1 3 240.372 2.276 20 0 BEADHM CCC[C@@H]1C[C@H]1C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819782444 586994712 /nfs/dbraw/zinc/99/47/12/586994712.db2.gz VIDAMKHIVIZKCW-IWSPIJDZSA-N -1 3 226.345 2.030 20 0 BEADHM CC(C)N(CC(=O)[O-])Cc1cccc(Cl)n1 ZINC000820015416 587012583 /nfs/dbraw/zinc/01/25/83/587012583.db2.gz SBZPVZDYUWHERU-UHFFFAOYSA-N -1 3 242.706 2.030 20 0 BEADHM CCCCC1(C(=O)[N-]OCCOC(C)C)CC1 ZINC000820014685 587012864 /nfs/dbraw/zinc/01/28/64/587012864.db2.gz ZUZLTCRQFWIKRK-UHFFFAOYSA-N -1 3 243.347 2.430 20 0 BEADHM C[C@@H](CC(=O)[O-])NC1(c2ccccc2F)CC1 ZINC000820071832 587017956 /nfs/dbraw/zinc/01/79/56/587017956.db2.gz IPJJKIWAODIHJI-VIFPVBQESA-N -1 3 237.274 2.268 20 0 BEADHM CCO[N-]C(=O)C(C)(C)CC(F)(F)F ZINC000820517602 587052383 /nfs/dbraw/zinc/05/23/83/587052383.db2.gz IQPLZMCCNNQVJE-UHFFFAOYSA-N -1 3 213.199 2.033 20 0 BEADHM CN(C/C=C\c1ccc(F)cc1)CCC(=O)[O-] ZINC000820580044 587055932 /nfs/dbraw/zinc/05/59/32/587055932.db2.gz QUFUKKVEZHDLDM-IHWYPQMZSA-N -1 3 237.274 2.245 20 0 BEADHM CC1(CNc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820623360 587059476 /nfs/dbraw/zinc/05/94/76/587059476.db2.gz NMBDIIAAXSBZLK-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM CC1(CNc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820623360 587059478 /nfs/dbraw/zinc/05/94/78/587059478.db2.gz NMBDIIAAXSBZLK-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM CC1(CNc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000820623645 587059608 /nfs/dbraw/zinc/05/96/08/587059608.db2.gz VNYMXFZBKXBKIN-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM CC1(CNc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000820623645 587059609 /nfs/dbraw/zinc/05/96/09/587059609.db2.gz VNYMXFZBKXBKIN-UHFFFAOYSA-N -1 3 247.277 2.218 20 0 BEADHM C[C@@H]1CC[C@@H](C)N1c1ccc(-c2nnn[n-]2)cc1 ZINC000820686539 587066312 /nfs/dbraw/zinc/06/63/12/587066312.db2.gz YDJYBVQEYIDECA-NXEZZACHSA-N -1 3 243.314 2.244 20 0 BEADHM C[C@@H]1CC[C@@H](C)N1c1ccc(-c2nn[n-]n2)cc1 ZINC000820686539 587066314 /nfs/dbraw/zinc/06/63/14/587066314.db2.gz YDJYBVQEYIDECA-NXEZZACHSA-N -1 3 243.314 2.244 20 0 BEADHM Cc1cc(CN2CCC(C(=O)[O-])CC2)c(C)o1 ZINC000820976642 587085633 /nfs/dbraw/zinc/08/56/33/587085633.db2.gz NOFRUTJKEHSVSC-UHFFFAOYSA-N -1 3 237.299 2.193 20 0 BEADHM Cn1ccc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000821305346 587106473 /nfs/dbraw/zinc/10/64/73/587106473.db2.gz YMYGUVJBADPCOQ-UHFFFAOYSA-N -1 3 244.294 2.013 20 0 BEADHM O=C([O-])[C@H]1CCN(C/C=C/c2ccc(F)cc2)C1 ZINC000821511249 587124314 /nfs/dbraw/zinc/12/43/14/587124314.db2.gz DWGSLKTXQANDFE-ISUDXETCSA-N -1 3 249.285 2.245 20 0 BEADHM Cc1ccc(NC([O-])=NOCC2CCC2)nc1 ZINC000822503877 587172278 /nfs/dbraw/zinc/17/22/78/587172278.db2.gz XHSIFMSJXNKMBG-UHFFFAOYSA-N -1 3 235.287 2.243 20 0 BEADHM Cc1ccc(NC(=O)[N-]OCC2CCC2)nc1 ZINC000822503877 587172279 /nfs/dbraw/zinc/17/22/79/587172279.db2.gz XHSIFMSJXNKMBG-UHFFFAOYSA-N -1 3 235.287 2.243 20 0 BEADHM C/C=C/COC(=O)c1c(Cl)[n-]nc1CC ZINC000860223001 589088987 /nfs/dbraw/zinc/08/89/87/589088987.db2.gz KCWFUKBVZUVVGF-HWKANZROSA-N -1 3 228.679 2.358 20 0 BEADHM C/C=C/COC(=O)c1c(Cl)n[n-]c1CC ZINC000860223001 589088990 /nfs/dbraw/zinc/08/89/90/589088990.db2.gz KCWFUKBVZUVVGF-HWKANZROSA-N -1 3 228.679 2.358 20 0 BEADHM CCc1n[n-]c(Cl)c1C(=O)OC[C@H]1C[C@H]1C ZINC000860221171 589090166 /nfs/dbraw/zinc/09/01/66/589090166.db2.gz FEZSTROKNFEHAT-RNFRBKRXSA-N -1 3 242.706 2.438 20 0 BEADHM CCc1[n-]nc(Cl)c1C(=O)OC[C@H]1C[C@H]1C ZINC000860221171 589090168 /nfs/dbraw/zinc/09/01/68/589090168.db2.gz FEZSTROKNFEHAT-RNFRBKRXSA-N -1 3 242.706 2.438 20 0 BEADHM CCc1n[n-]c(Cl)c1C(=O)OCC(C)C ZINC000860224076 589090581 /nfs/dbraw/zinc/09/05/81/589090581.db2.gz WXFVYBXKSGWUGB-UHFFFAOYSA-N -1 3 230.695 2.438 20 0 BEADHM CCc1[n-]nc(Cl)c1C(=O)OCC(C)C ZINC000860224076 589090582 /nfs/dbraw/zinc/09/05/82/589090582.db2.gz WXFVYBXKSGWUGB-UHFFFAOYSA-N -1 3 230.695 2.438 20 0 BEADHM c1cc(-c2nnn[n-]2)ccc1NCCC1CC1 ZINC000823742431 587239111 /nfs/dbraw/zinc/23/91/11/587239111.db2.gz GEEVXPKSIKBPPT-UHFFFAOYSA-N -1 3 229.287 2.079 20 0 BEADHM c1cc(-c2nn[n-]n2)ccc1NCCC1CC1 ZINC000823742431 587239112 /nfs/dbraw/zinc/23/91/12/587239112.db2.gz GEEVXPKSIKBPPT-UHFFFAOYSA-N -1 3 229.287 2.079 20 0 BEADHM c1cc(-c2nnn[n-]2)cc(SCC2CCC2)n1 ZINC000823742308 587239237 /nfs/dbraw/zinc/23/92/37/587239237.db2.gz CYZKWINFMBOEEV-UHFFFAOYSA-N -1 3 247.327 2.154 20 0 BEADHM c1cc(-c2nn[n-]n2)cc(SCC2CCC2)n1 ZINC000823742308 587239240 /nfs/dbraw/zinc/23/92/40/587239240.db2.gz CYZKWINFMBOEEV-UHFFFAOYSA-N -1 3 247.327 2.154 20 0 BEADHM c1cc(OCC2CCC2)cc(-c2nnn[n-]2)c1 ZINC000823763038 587239819 /nfs/dbraw/zinc/23/98/19/587239819.db2.gz XWSXAFPFTTUFOY-UHFFFAOYSA-N -1 3 230.271 2.046 20 0 BEADHM c1cc(OCC2CCC2)cc(-c2nn[n-]n2)c1 ZINC000823763038 587239820 /nfs/dbraw/zinc/23/98/20/587239820.db2.gz XWSXAFPFTTUFOY-UHFFFAOYSA-N -1 3 230.271 2.046 20 0 BEADHM c1ccc(-c2nnn[n-]2)c(OCC2CCC2)c1 ZINC000823773552 587240244 /nfs/dbraw/zinc/24/02/44/587240244.db2.gz VHPIBPBUHIPCKA-UHFFFAOYSA-N -1 3 230.271 2.046 20 0 BEADHM c1ccc(-c2nn[n-]n2)c(OCC2CCC2)c1 ZINC000823773552 587240245 /nfs/dbraw/zinc/24/02/45/587240245.db2.gz VHPIBPBUHIPCKA-UHFFFAOYSA-N -1 3 230.271 2.046 20 0 BEADHM CC(C)=C(C)CC(=O)[N-]C1=NC[C@H](C)S1 ZINC000823807054 587240403 /nfs/dbraw/zinc/24/04/03/587240403.db2.gz PLFVPAMQOIMDHS-VIFPVBQESA-N -1 3 226.345 2.340 20 0 BEADHM CCC[C@@H](CC)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000823806767 587241107 /nfs/dbraw/zinc/24/11/07/587241107.db2.gz IIDPQYSQDMHHLH-RKDXNWHRSA-N -1 3 228.361 2.420 20 0 BEADHM CCCO[N-]C(=O)Cc1cccc2ncccc12 ZINC000824041645 587250775 /nfs/dbraw/zinc/25/07/75/587250775.db2.gz NJSUZVFDWWVEMO-UHFFFAOYSA-N -1 3 244.294 2.235 20 0 BEADHM CC(C)CO[N-]C(=O)C[C@H](C)c1ccco1 ZINC000860346076 589095238 /nfs/dbraw/zinc/09/52/38/589095238.db2.gz STQVXDPICUDJMP-JTQLQIEISA-N -1 3 225.288 2.477 20 0 BEADHM C[C@@H](NC1CCN(C(=O)[O-])CC1)c1ccco1 ZINC000825480224 587321178 /nfs/dbraw/zinc/32/11/78/587321178.db2.gz UTKPZDNBISDCPF-SECBINFHSA-N -1 3 238.287 2.073 20 0 BEADHM CC(C(=O)[N-]O[C@@H]1CCCCO1)=C1CCC1 ZINC000825554125 587324772 /nfs/dbraw/zinc/32/47/72/587324772.db2.gz JGVWCINMFKODJB-LLVKDONJSA-N -1 3 225.288 2.061 20 0 BEADHM C[C@H](c1cccc(F)c1)N(C)CCNC(=O)[O-] ZINC000825629356 587327906 /nfs/dbraw/zinc/32/79/06/587327906.db2.gz CAAVUJVAKXJWRE-SECBINFHSA-N -1 3 240.278 2.086 20 0 BEADHM CC1(C)C[C@H](NCCNC(=O)[O-])c2ccccc21 ZINC000825708596 587333069 /nfs/dbraw/zinc/33/30/69/587333069.db2.gz WMGHHGAYLXPUKC-LBPRGKRZSA-N -1 3 248.326 2.266 20 0 BEADHM CC1(C)C[C@@H](NCCNC(=O)[O-])c2ccccc21 ZINC000825708595 587333072 /nfs/dbraw/zinc/33/30/72/587333072.db2.gz WMGHHGAYLXPUKC-GFCCVEGCSA-N -1 3 248.326 2.266 20 0 BEADHM C/C(=C\CN(C)[C@H](C)c1cccc(O)c1)C(=O)[O-] ZINC000825729695 587334627 /nfs/dbraw/zinc/33/46/27/587334627.db2.gz KUJREZMTZQPUTB-PFEDMVJOSA-N -1 3 249.310 2.416 20 0 BEADHM C/C(=C\CN1CCC[C@@H]1c1ccc[nH]1)C(=O)[O-] ZINC000825742010 587335584 /nfs/dbraw/zinc/33/55/84/587335584.db2.gz VCMXFJAOBFCJTG-GCZGVDRJSA-N -1 3 234.299 2.183 20 0 BEADHM C[C@@H]1[C@H](c2ccccc2)CCN1CCNC(=O)[O-] ZINC000825778422 587338928 /nfs/dbraw/zinc/33/89/28/587338928.db2.gz MYDVSMWBTOUQLO-DGCLKSJQSA-N -1 3 248.326 2.132 20 0 BEADHM C[C@@H]1CC[C@@H](NCCNC(=O)[O-])c2ccccc21 ZINC000825881120 587344068 /nfs/dbraw/zinc/34/40/68/587344068.db2.gz SVTQUOIEFTYKRN-ZWNOBZJWSA-N -1 3 248.326 2.482 20 0 BEADHM CCCO[N-]C(=O)Nc1ccn2cc(C)nc2c1 ZINC000825928509 587345887 /nfs/dbraw/zinc/34/58/87/587345887.db2.gz XQKRMYDLEHJNJO-UHFFFAOYSA-N -1 3 248.286 2.106 20 0 BEADHM Cc1ccccc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826307469 587352070 /nfs/dbraw/zinc/35/20/70/587352070.db2.gz JTORFIVVVHVACC-UHFFFAOYSA-N -1 3 239.282 2.025 20 0 BEADHM Cc1ccccc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826307469 587352071 /nfs/dbraw/zinc/35/20/71/587352071.db2.gz JTORFIVVVHVACC-UHFFFAOYSA-N -1 3 239.282 2.025 20 0 BEADHM CC[C@@H](NCCN(C)C(=O)[O-])c1ccccc1 ZINC000826620215 587356546 /nfs/dbraw/zinc/35/65/46/587356546.db2.gz PWVCSOFBFSQVTF-GFCCVEGCSA-N -1 3 236.315 2.337 20 0 BEADHM CCc1nc(C[N-]C(=O)C(F)(F)CC)cs1 ZINC000826796918 587362730 /nfs/dbraw/zinc/36/27/30/587362730.db2.gz PWTFDTVDQMLSIC-UHFFFAOYSA-N -1 3 248.298 2.367 20 0 BEADHM [O-]c1ccc(F)c(CN[C@H]2C=CCC2)c1F ZINC000826941896 587366338 /nfs/dbraw/zinc/36/63/38/587366338.db2.gz MEMWBQGJMVUOSS-QMMMGPOBSA-N -1 3 225.238 2.479 20 0 BEADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)[N-]OCc1cccnc1 ZINC000827171259 587371801 /nfs/dbraw/zinc/37/18/01/587371801.db2.gz ZQKPKURAGZBVHQ-RWMBFGLXSA-N -1 3 246.310 2.066 20 0 BEADHM C[C@@H](CN(CCF)Cc1ccccc1)C(=O)[O-] ZINC000827450259 587381939 /nfs/dbraw/zinc/38/19/39/587381939.db2.gz UQIHYKPQKSATTA-NSHDSACASA-N -1 3 239.290 2.179 20 0 BEADHM CC(C)CO[N-]C(=O)[C@]1(C)CC=CCC1 ZINC000827557017 587387931 /nfs/dbraw/zinc/38/79/31/587387931.db2.gz GOWBCHTYAMGEGR-GFCCVEGCSA-N -1 3 211.305 2.437 20 0 BEADHM CC1(C)C(N[C@@H](C(=O)[O-])c2cccnc2)C1(C)C ZINC000828049823 587417534 /nfs/dbraw/zinc/41/75/34/587417534.db2.gz FHOJIYNKISWJIE-SNVBAGLBSA-N -1 3 248.326 2.232 20 0 BEADHM CCCON=C([O-])Nc1c(F)cccc1F ZINC000828222223 587425280 /nfs/dbraw/zinc/42/52/80/587425280.db2.gz ROBBJWNDYRECLP-UHFFFAOYSA-N -1 3 230.214 2.428 20 0 BEADHM CCCO[N-]C(=O)Nc1c(F)cccc1F ZINC000828222223 587425282 /nfs/dbraw/zinc/42/52/82/587425282.db2.gz ROBBJWNDYRECLP-UHFFFAOYSA-N -1 3 230.214 2.428 20 0 BEADHM CCCON=C([O-])N1c2ccccc2C[C@@H]1C ZINC000828222130 587425365 /nfs/dbraw/zinc/42/53/65/587425365.db2.gz NHWVMNDNLMBJLL-JTQLQIEISA-N -1 3 234.299 2.489 20 0 BEADHM CCCO[N-]C(=O)N1c2ccccc2C[C@@H]1C ZINC000828222130 587425366 /nfs/dbraw/zinc/42/53/66/587425366.db2.gz NHWVMNDNLMBJLL-JTQLQIEISA-N -1 3 234.299 2.489 20 0 BEADHM CCCON=C([O-])N1CCc2c1cccc2C ZINC000828256390 587428683 /nfs/dbraw/zinc/42/86/83/587428683.db2.gz AKDJZTPVAHLLFX-UHFFFAOYSA-N -1 3 234.299 2.409 20 0 BEADHM CCCO[N-]C(=O)N1CCc2c1cccc2C ZINC000828256390 587428684 /nfs/dbraw/zinc/42/86/84/587428684.db2.gz AKDJZTPVAHLLFX-UHFFFAOYSA-N -1 3 234.299 2.409 20 0 BEADHM CC[C@@](C)(CC(=O)[O-])NCc1ccco1 ZINC000828665776 587456483 /nfs/dbraw/zinc/45/64/83/587456483.db2.gz YJJZMNHXVBKGDF-NSHDSACASA-N -1 3 211.261 2.013 20 0 BEADHM O=C([N-]CCCSC1CCC1)C(F)(F)F ZINC000829742888 587513077 /nfs/dbraw/zinc/51/30/77/587513077.db2.gz SAXHCXVWTYAVSJ-UHFFFAOYSA-N -1 3 241.278 2.341 20 0 BEADHM C[C@@H]1CCC[C@]1(C)C(=O)[N-]OC1CCOCC1 ZINC000829748048 587513162 /nfs/dbraw/zinc/51/31/62/587513162.db2.gz BWFMZNHONGZEOV-MFKMUULPSA-N -1 3 241.331 2.040 20 0 BEADHM C[C@H]([N-]C(=O)C(F)F)c1cc2cnccc2o1 ZINC000829791185 587516717 /nfs/dbraw/zinc/51/67/17/587516717.db2.gz OLKNBHRECWOOMS-LURJTMIESA-N -1 3 240.209 2.270 20 0 BEADHM C[C@@H]([N-]C(=O)C(F)F)c1cc2cnccc2o1 ZINC000829791186 587516881 /nfs/dbraw/zinc/51/68/81/587516881.db2.gz OLKNBHRECWOOMS-ZCFIWIBFSA-N -1 3 240.209 2.270 20 0 BEADHM Cc1ccc(CN(C)[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000830308778 587545242 /nfs/dbraw/zinc/54/52/42/587545242.db2.gz MXXRPSISGRAWAW-ZDUSSCGKSA-N -1 3 248.326 2.179 20 0 BEADHM Cc1cccc([C@@H](C)N2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000830471049 587553046 /nfs/dbraw/zinc/55/30/46/587553046.db2.gz DHSFKMPOSLEPMO-DGCLKSJQSA-N -1 3 248.326 2.398 20 0 BEADHM CCCON=C([O-])Nc1nc2c(s1)CCC2 ZINC000831116894 587586627 /nfs/dbraw/zinc/58/66/27/587586627.db2.gz KHQWPEZBPARJOK-UHFFFAOYSA-N -1 3 241.316 2.095 20 0 BEADHM CCCO[N-]C(=O)Nc1nc2c(s1)CCC2 ZINC000831116894 587586629 /nfs/dbraw/zinc/58/66/29/587586629.db2.gz KHQWPEZBPARJOK-UHFFFAOYSA-N -1 3 241.316 2.095 20 0 BEADHM CCON(CC)C(=O)c1cc(CC)ccc1[O-] ZINC000831467186 587611331 /nfs/dbraw/zinc/61/13/31/587611331.db2.gz HQFHJXAGELWAHP-UHFFFAOYSA-N -1 3 237.299 2.368 20 0 BEADHM CSCCO[N-]C(=O)[C@@]1(C)CCC[C@H]1C ZINC000831583431 587621610 /nfs/dbraw/zinc/62/16/10/587621610.db2.gz XLCBOWKNCRGZGM-KOLCDFICSA-N -1 3 231.361 2.224 20 0 BEADHM C[C@H](CC(=O)[N-]OC1CCCC1)[C@H]1CCCO1 ZINC000831707183 587628538 /nfs/dbraw/zinc/62/85/38/587628538.db2.gz YELWSPNGSAMPBR-ZYHUDNBSSA-N -1 3 241.331 2.182 20 0 BEADHM CC(C)(CC(F)(F)F)C(=O)[N-]OCC(F)F ZINC000832184943 587649079 /nfs/dbraw/zinc/64/90/79/587649079.db2.gz ALHBDLGPRCFWOB-UHFFFAOYSA-N -1 3 249.179 2.278 20 0 BEADHM O=C([N-]OC1CCC1)[C@H]1CC12CCSCC2 ZINC000832332563 587654471 /nfs/dbraw/zinc/65/44/71/587654471.db2.gz KPAHFMASQGEWMH-SNVBAGLBSA-N -1 3 241.356 2.120 20 0 BEADHM CC(C)(C)C(=O)CCCC(=O)[N-]OC1CCC1 ZINC000832331991 587654564 /nfs/dbraw/zinc/65/45/64/587654564.db2.gz CUTAHUJCLACRQD-UHFFFAOYSA-N -1 3 241.331 2.372 20 0 BEADHM CC(C)(C(=O)[N-]OC1CCC1)C1CCC1 ZINC000832332680 587654594 /nfs/dbraw/zinc/65/45/94/587654594.db2.gz MRDFHVJZZCDYIS-UHFFFAOYSA-N -1 3 211.305 2.413 20 0 BEADHM CC(C)OCCO[N-]C(=O)C(C)(C)C1CCC1 ZINC000832337165 587655234 /nfs/dbraw/zinc/65/52/34/587655234.db2.gz LXQZUPWGYKYBHF-UHFFFAOYSA-N -1 3 243.347 2.286 20 0 BEADHM O=C([O-])[C@H](c1ccccc1F)N1C[C@@H]2CCC[C@@H]21 ZINC000833172621 587700875 /nfs/dbraw/zinc/70/08/75/587700875.db2.gz KNDQCHOFUPWYFJ-XDTLVQLUSA-N -1 3 249.285 2.436 20 0 BEADHM O=C([O-])[C@H](c1ccc(F)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000833172960 587701006 /nfs/dbraw/zinc/70/10/06/587701006.db2.gz YAYBYYULHWDNQG-UHTWSYAYSA-N -1 3 249.285 2.436 20 0 BEADHM C/C(=C\CN1CCC[C@@H]1c1ccncc1)C(=O)[O-] ZINC000833385485 587712235 /nfs/dbraw/zinc/71/22/35/587712235.db2.gz VTLLNFIQLPWNFX-ASJRZHAZSA-N -1 3 246.310 2.249 20 0 BEADHM CC1(C)CCCN1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833560588 587719943 /nfs/dbraw/zinc/71/99/43/587719943.db2.gz QWJZMLPMUBQYBB-UHFFFAOYSA-N -1 3 222.288 2.087 20 0 BEADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CC(=O)[O-] ZINC000833631155 587725722 /nfs/dbraw/zinc/72/57/22/587725722.db2.gz ACCYGTDDBYYDDU-IUCAKERBSA-N -1 3 237.274 2.218 20 0 BEADHM CCc1cnccc1[C@H](C)NC/C=C(/C)C(=O)[O-] ZINC000833672811 587727536 /nfs/dbraw/zinc/72/75/36/587727536.db2.gz FSIMJUCLTRNIQO-VQNWOSHQSA-N -1 3 248.326 2.326 20 0 BEADHM CSC(C)(C)C(=O)Nc1nc(C)ccc1[O-] ZINC000834687683 587764333 /nfs/dbraw/zinc/76/43/33/587764333.db2.gz ZJAQZISJQWJERT-UHFFFAOYSA-N -1 3 240.328 2.176 20 0 BEADHM 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/nfs/dbraw/zinc/57/87/73/602578773.db2.gz SKCCSDIGFHSOEM-GFAPAMAISA-N -1 3 246.738 2.203 20 0 BEADHM C/C(=C/CN(C)[C@@H](C)c1ccncc1)C(=O)[O-] ZINC000383675182 604718592 /nfs/dbraw/zinc/71/85/92/604718592.db2.gz XFLBXOAOEKXMSF-YAEJEKNGSA-N -1 3 234.299 2.105 20 0 BEADHM CC(C)C[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC000095241783 607730557 /nfs/dbraw/zinc/73/05/57/607730557.db2.gz PGQDYECZTAUUPQ-VIFPVBQESA-N -1 3 246.318 2.108 20 0 BEADHM CC(C)C[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC000095241783 607730559 /nfs/dbraw/zinc/73/05/59/607730559.db2.gz PGQDYECZTAUUPQ-VIFPVBQESA-N -1 3 246.318 2.108 20 0 BEADHM CC(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095241789 607731294 /nfs/dbraw/zinc/73/12/94/607731294.db2.gz CVMXGVJCTVLEFN-VIFPVBQESA-N -1 3 246.318 2.108 20 0 BEADHM CC(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095241789 607731296 /nfs/dbraw/zinc/73/12/96/607731296.db2.gz CVMXGVJCTVLEFN-VIFPVBQESA-N -1 3 246.318 2.108 20 0 BEADHM CC(C)(NCc1cc(F)c(F)cc1F)C(=O)[O-] ZINC000284355145 605234272 /nfs/dbraw/zinc/23/42/72/605234272.db2.gz WHYYPVYHTZXSPO-UHFFFAOYSA-N -1 3 247.216 2.057 20 0 BEADHM CCC(CC)(CNc1cc(=O)[n-]c(C)n1)OC ZINC000310301567 632718321 /nfs/dbraw/zinc/71/83/21/632718321.db2.gz UOCKSNKJWHYQGP-UHFFFAOYSA-N -1 3 239.319 2.108 20 0 BEADHM O=C(CCC1CCCC1)[N-]OC[C@@H]1CCOC1 ZINC000187830962 634123603 /nfs/dbraw/zinc/12/36/03/634123603.db2.gz NDXZUZXVGAUYFH-GFCCVEGCSA-N -1 3 241.331 2.041 20 0 BEADHM O=C(Nc1cc(Cl)ccc1[O-])C(F)F ZINC000194790550 634335312 /nfs/dbraw/zinc/33/53/12/634335312.db2.gz OYDRGTPECIKUHO-UHFFFAOYSA-N -1 3 221.590 2.249 20 0 BEADHM Cc1ccc(CNc2cc(=O)[n-]c(C)n2)nc1C ZINC000314145138 635114128 /nfs/dbraw/zinc/11/41/28/635114128.db2.gz KACABQFAYPATAO-UHFFFAOYSA-N -1 3 244.298 2.115 20 0 BEADHM CCO[N-]C(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000253488359 635720424 /nfs/dbraw/zinc/72/04/24/635720424.db2.gz AIYLAPKOAZNCHX-UHFFFAOYSA-N -1 3 249.310 2.334 20 0 BEADHM C[C@H]1CC[C@@H](CC(=O)[N-]OCc2ccccn2)C1 ZINC000909538569 636232634 /nfs/dbraw/zinc/23/26/34/636232634.db2.gz MGZPEWQGGKVKJI-NWDGAFQWSA-N -1 3 248.326 2.456 20 0 BEADHM C[C@@H]1CCC[C@H]1CC(=O)[N-]OCc1ccccn1 ZINC000909540045 636233174 /nfs/dbraw/zinc/23/31/74/636233174.db2.gz KUWNVKMBABWPPZ-NEPJUHHUSA-N -1 3 248.326 2.456 20 0 BEADHM C[C@H]1CCC[C@H]1CC(=O)[N-]OCc1ccccn1 ZINC000909540047 636233808 /nfs/dbraw/zinc/23/38/08/636233808.db2.gz KUWNVKMBABWPPZ-RYUDHWBXSA-N -1 3 248.326 2.456 20 0 BEADHM COCc1nnc([N-][C@H](C)c2cccs2)o1 ZINC000901406703 637248615 /nfs/dbraw/zinc/24/86/15/637248615.db2.gz DLYFQIPCYGDADC-SSDOTTSWSA-N -1 3 239.300 2.451 20 0 BEADHM O=C([O-])/C=C/c1ccc(CN[C@]23C[C@H]2CCC3)o1 ZINC000905770081 637925413 /nfs/dbraw/zinc/92/54/13/637925413.db2.gz LDQZUJHMMSBMTM-JLULYGEWSA-N -1 3 247.294 2.410 20 0 BEADHM CCCCC1(NCc2cc(C(=O)[O-])no2)CC1 ZINC000905790755 637930874 /nfs/dbraw/zinc/93/08/74/637930874.db2.gz WFJDOQFXCJMGEQ-UHFFFAOYSA-N -1 3 238.287 2.185 20 0 BEADHM O=C([N-]OC/C=C/Cl)C1(C2CC2)CCC1 ZINC000908311301 638633906 /nfs/dbraw/zinc/63/39/06/638633906.db2.gz IRLRBUDPRWEPLK-FARCUNLSSA-N -1 3 229.707 2.367 20 0 BEADHM C[C@H]1C[C@H]1C(=O)COC(=O)c1cc2occc2[n-]1 ZINC000909257837 639185534 /nfs/dbraw/zinc/18/55/34/639185534.db2.gz ZOSYFXUBTVXHLP-JGVFFNPUSA-N -1 3 247.250 2.143 20 0 BEADHM O=C(OCCCC1CCCCC1)c1cnn[n-]1 ZINC000909312143 639205174 /nfs/dbraw/zinc/20/51/74/639205174.db2.gz QPIVUHCGUPNXEA-UHFFFAOYSA-N -1 3 237.303 2.322 20 0 BEADHM O=C(OCCCC1CCCCC1)c1c[n-]nn1 ZINC000909312143 639205180 /nfs/dbraw/zinc/20/51/80/639205180.db2.gz QPIVUHCGUPNXEA-UHFFFAOYSA-N -1 3 237.303 2.322 20 0 BEADHM [O-]c1cccc(-c2cc(CO)ccn2)c1F ZINC000911579034 639670315 /nfs/dbraw/zinc/67/03/15/639670315.db2.gz PAKGYDOFJJTXPI-UHFFFAOYSA-N -1 3 219.215 2.086 20 0 BEADHM CCCCC(=O)[N-]OCCOc1ccccc1 ZINC000036137685 640372273 /nfs/dbraw/zinc/37/22/73/640372273.db2.gz GGFAWDMMYLFXED-UHFFFAOYSA-N -1 3 237.299 2.303 20 0 BEADHM Cc1ccc(C(=O)NN=C2CCCC2)c([O-])c1 ZINC000054885419 640415522 /nfs/dbraw/zinc/41/55/22/640415522.db2.gz GHGPFYVOHBOVOI-UHFFFAOYSA-N -1 3 232.283 2.360 20 0 BEADHM CSC(C)(C)CNc1cc(=O)[n-]c(C)n1 ZINC000165925625 640598595 /nfs/dbraw/zinc/59/85/95/640598595.db2.gz LGGJOBMOXZEGDB-UHFFFAOYSA-N -1 3 227.333 2.044 20 0 BEADHM CC1([N-]C(=O)C(F)(F)C(F)F)CCCC1 ZINC000226617050 640780370 /nfs/dbraw/zinc/78/03/70/640780370.db2.gz RKXLXBZSOKIUGG-UHFFFAOYSA-N -1 3 227.201 2.336 20 0 BEADHM Cc1ccoc1CN1CCC[C@@]1(C)C(=O)[O-] ZINC000229552718 640966472 /nfs/dbraw/zinc/96/64/72/640966472.db2.gz LWVATNQMUYPFOO-LBPRGKRZSA-N -1 3 223.272 2.027 20 0 BEADHM Cc1ccoc1CN1CCCCC[C@H]1C(=O)[O-] ZINC000229552652 640967165 /nfs/dbraw/zinc/96/71/65/640967165.db2.gz JSWKUXDPCMHOMO-NSHDSACASA-N -1 3 237.299 2.417 20 0 BEADHM Cc1nc(NC[C@H]2CC[C@H](C)C2)cc(=O)[n-]1 ZINC000230430930 641055649 /nfs/dbraw/zinc/05/56/49/641055649.db2.gz IXIRTHORSDAKGB-WPRPVWTQSA-N -1 3 221.304 2.339 20 0 BEADHM [O-]c1cc2c(cc1-c1nc(C3CC3)no1)OCO2 ZINC000350577156 641362567 /nfs/dbraw/zinc/36/25/67/641362567.db2.gz UITFMRRRIRQDTR-UHFFFAOYSA-N -1 3 246.222 2.048 20 0 BEADHM O=C([N-]c1ncsc1C1CC1)c1cnco1 ZINC000914117269 641573015 /nfs/dbraw/zinc/57/30/15/641573015.db2.gz KNDFLEFTAHVOFI-UHFFFAOYSA-N -1 3 235.268 2.261 20 0 BEADHM CC(C)(C)CCCC(=O)[N-]OC[C@@H]1CCOC1 ZINC000187917007 641733012 /nfs/dbraw/zinc/73/30/12/641733012.db2.gz WCZABNUUVUCWNL-LLVKDONJSA-N -1 3 243.347 2.287 20 0 BEADHM CCO[N-]C(=O)C1(Cc2ccccc2F)CC1 ZINC000188248309 641751476 /nfs/dbraw/zinc/75/14/76/641751476.db2.gz RXNIINXPHRDWRC-UHFFFAOYSA-N -1 3 237.274 2.216 20 0 BEADHM CCc1ccc(CC(=O)[N-]OCC(C)C)cc1 ZINC000153450643 641797510 /nfs/dbraw/zinc/79/75/10/641797510.db2.gz KQXUSDRGGZPLJS-UHFFFAOYSA-N -1 3 235.327 2.495 20 0 BEADHM O=C(OCc1ccccc1)c1cncc([O-])c1 ZINC000731914323 641820476 /nfs/dbraw/zinc/82/04/76/641820476.db2.gz DPKFXHUYASLFPY-UHFFFAOYSA-N -1 3 229.235 2.144 20 0 BEADHM O=C(OCc1ccc(F)cc1)c1cncc([O-])c1 ZINC000731916088 641821280 /nfs/dbraw/zinc/82/12/80/641821280.db2.gz PVFZZUHAARZBGJ-UHFFFAOYSA-N -1 3 247.225 2.283 20 0 BEADHM Cc1cc(C(=O)/C=C/c2cnn(C)c2)ccc1[O-] ZINC000077166027 641839007 /nfs/dbraw/zinc/83/90/07/641839007.db2.gz ULXPPRREDAPPCU-HWKANZROSA-N -1 3 242.278 2.330 20 0 BEADHM Cc1ccnc(SCc2nc(C)cc(=O)[n-]2)c1 ZINC000918799540 642267292 /nfs/dbraw/zinc/26/72/92/642267292.db2.gz BAIRPLROLXBWGX-UHFFFAOYSA-N -1 3 247.323 2.486 20 0 BEADHM CC(C)=CC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000064372422 642651556 /nfs/dbraw/zinc/65/15/56/642651556.db2.gz ZRWGENZQSMYSQU-UHFFFAOYSA-N -1 3 243.270 2.421 20 0 BEADHM CCO[N-]C(=O)Cc1coc2cc(C)ccc12 ZINC000070273418 643011773 /nfs/dbraw/zinc/01/17/73/643011773.db2.gz MKJXFKKOHPHTAT-UHFFFAOYSA-N -1 3 233.267 2.351 20 0 BEADHM CCc1ccc(C(=O)N2CC[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC000619369691 643038429 /nfs/dbraw/zinc/03/84/29/643038429.db2.gz VMTKTQSZEKJMDD-VXGBXAGGSA-N -1 3 245.322 2.437 20 0 BEADHM C=CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000095128281 643341873 /nfs/dbraw/zinc/34/18/73/643341873.db2.gz AAXINRMDSYFUDF-UHFFFAOYSA-N -1 3 230.271 2.212 20 0 BEADHM C=CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000095128281 643341877 /nfs/dbraw/zinc/34/18/77/643341877.db2.gz AAXINRMDSYFUDF-UHFFFAOYSA-N -1 3 230.271 2.212 20 0 BEADHM Cc1ccc(C(=O)[N-]c2nc(C3CC3)no2)o1 ZINC000734878489 643510743 /nfs/dbraw/zinc/51/07/43/643510743.db2.gz IWHFWBGLOOXVTN-UHFFFAOYSA-N -1 3 233.227 2.101 20 0 BEADHM O=C([N-]c1cc(F)ccc1F)c1cnsn1 ZINC000047410344 643583476 /nfs/dbraw/zinc/58/34/76/643583476.db2.gz JRNFZFXERIXTEK-UHFFFAOYSA-N -1 3 241.222 2.069 20 0 BEADHM C[C@H](C[N-]C(=O)C(F)(F)F)C(C)(C)C ZINC000096605316 644825148 /nfs/dbraw/zinc/82/51/48/644825148.db2.gz NUUZKZQHTKQFRS-ZCFIWIBFSA-N -1 3 211.227 2.347 20 0 BEADHM C[C@@H](C[N-]C(=O)C(F)(F)F)C(C)(C)C ZINC000096605315 644825316 /nfs/dbraw/zinc/82/53/16/644825316.db2.gz NUUZKZQHTKQFRS-LURJTMIESA-N -1 3 211.227 2.347 20 0 BEADHM CO[C@@H]1CCC[C@@H](CC(=O)[N-]OCC2CC2)C1 ZINC000817339782 644973338 /nfs/dbraw/zinc/97/33/38/644973338.db2.gz XGHRRDLJVIZZAV-VXGBXAGGSA-N -1 3 241.331 2.040 20 0 BEADHM CCCO[N-]C(=O)C[C@@H](C)c1ccco1 ZINC000862103534 645693827 /nfs/dbraw/zinc/69/38/27/645693827.db2.gz KZXMJZRXAWJIGN-SECBINFHSA-N -1 3 211.261 2.231 20 0 BEADHM CC[C@H](C)CCC(=O)[N-]OCc1ccccn1 ZINC000909541759 711782578 /nfs/dbraw/zinc/78/25/78/711782578.db2.gz MZVSLUFQHQQFGN-NSHDSACASA-N -1 3 236.315 2.456 20 0 BEADHM Cn1ncc2cc(-c3ccc(=S)[n-]n3)ccc21 ZINC001241436637 1169720117 /nfs/dbraw/zinc/72/01/17/1169720117.db2.gz TZXOOTRHPFRVFI-UHFFFAOYSA-N -1 3 242.307 2.319 20 0 BEADHM