smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)CN(Cc1noc2c1CCCC2)Cc1cc(Cl)ccc1[O-] ZINC000111238238 700546819 /nfs/dbraw/zinc/54/68/19/700546819.db2.gz GQJMYHMQIOMJJA-UHFFFAOYSA-N -1 3 364.829 3.088 20 10 FGCDHM O=C(c1c(F)cccc1F)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000120683969 700658491 /nfs/dbraw/zinc/65/84/91/700658491.db2.gz UMIAFEHDVMEGRT-UHFFFAOYSA-N -1 3 366.795 3.282 20 10 FGCDHM CC(C)CCC1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000150896239 704904240 /nfs/dbraw/zinc/90/42/40/704904240.db2.gz ITVZVFPZGVRRLA-UHFFFAOYSA-N -1 3 368.499 3.052 20 10 FGCDHM C[C@@H]1C[C@@]2(CCO1)CN(Cc1cc(Br)ccc1[O-])C[C@H](C)O2 ZINC000373979748 713889617 /nfs/dbraw/zinc/88/96/17/713889617.db2.gz ZAWSPNYDQDIWEL-IGCXYCKISA-N -1 3 370.287 3.313 20 10 FGCDHM CC[C@@H]1C[C@@H](CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])CCO1 ZINC000780758662 724498824 /nfs/dbraw/zinc/49/88/24/724498824.db2.gz VPQUOAQHGPBLOI-XJKSGUPXSA-N -1 3 355.862 3.226 20 10 FGCDHM COC(=O)c1sc(NC(=O)c2ccc(C)c(O)c2[O-])nc1C(C)(C)C ZINC000780963907 724517681 /nfs/dbraw/zinc/51/76/81/724517681.db2.gz UDFRXWZDYATBFA-UHFFFAOYSA-N -1 3 364.423 3.199 20 10 FGCDHM O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cccc(O)c1[O-] ZINC000804522218 724524629 /nfs/dbraw/zinc/52/46/29/724524629.db2.gz XVFOWJPWOIFDEK-ZDUSSCGKSA-N -1 3 356.205 3.258 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCN(CCOC(C)C)CC2)c1 ZINC000781914006 724611638 /nfs/dbraw/zinc/61/16/38/724611638.db2.gz VRCNXSOYDCSPLP-UHFFFAOYSA-N -1 3 371.319 3.006 20 10 FGCDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc(N(C)C)cc1 ZINC000760519034 723060990 /nfs/dbraw/zinc/06/09/90/723060990.db2.gz CDIYWFICJRDJJP-UHFFFAOYSA-N -1 3 362.426 3.425 20 10 FGCDHM CN(CCOc1ccc(Br)cc1)C(=O)c1cccc(O)c1[O-] ZINC000790473041 723143489 /nfs/dbraw/zinc/14/34/89/723143489.db2.gz LQXQCCJAMIPKJU-UHFFFAOYSA-N -1 3 366.211 3.011 20 10 FGCDHM C[C@@H]1CCS(=O)(=O)CCN1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000762128619 723217518 /nfs/dbraw/zinc/21/75/18/723217518.db2.gz ZSXLQXYRZNTDLL-CYBMUJFWSA-N -1 3 359.447 3.301 20 10 FGCDHM CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC000794827997 723547989 /nfs/dbraw/zinc/54/79/89/723547989.db2.gz NPPRYBSDKNZXGV-VIFPVBQESA-N -1 3 361.435 3.376 20 10 FGCDHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3c([O-])ccc(Cl)c3F)C[C@H]2C1 ZINC000796030093 723618108 /nfs/dbraw/zinc/61/81/08/723618108.db2.gz XCLVDLOTVIFIBT-TXEJJXNPSA-N -1 3 370.852 3.483 20 10 FGCDHM COC(=O)c1ccc(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000768783470 723667143 /nfs/dbraw/zinc/66/71/43/723667143.db2.gz VHFKVKHNGDTHAN-UHFFFAOYSA-N -1 3 364.785 3.372 20 10 FGCDHM COc1c([O-])c(CNCc2c(F)c(F)cc(F)c2F)ccc1[N+](=O)[O-] ZINC000775034133 723954593 /nfs/dbraw/zinc/95/45/93/723954593.db2.gz RTCWJCBQEAIGGG-UHFFFAOYSA-N -1 3 360.263 3.155 20 10 FGCDHM COc1c([O-])c(CN2CCO[C@@H](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000775062951 723957432 /nfs/dbraw/zinc/95/74/32/723957432.db2.gz LNGSIZHDMMBKQR-MRXNPFEDSA-N -1 3 350.415 3.090 20 10 FGCDHM [O-]c1c(Br)cccc1CNCc1cnnn1Cc1ccccc1 ZINC000814169330 726943947 /nfs/dbraw/zinc/94/39/47/726943947.db2.gz FAYBVLLLJHLEGD-UHFFFAOYSA-N -1 3 373.254 3.084 20 10 FGCDHM Cc1cc([O-])c(CN2CCOC[C@@H]2c2noc(C(C)C)n2)cc1Cl ZINC000825462070 729384169 /nfs/dbraw/zinc/38/41/69/729384169.db2.gz XXIYINYJJRCLRS-CQSZACIVSA-N -1 3 351.834 3.434 20 10 FGCDHM Cc1cc([O-])c(CN2CCn3ncc(Br)c3C2)c(Cl)c1 ZINC000827451877 729430330 /nfs/dbraw/zinc/43/03/30/729430330.db2.gz QXERAWNQJAVRNH-UHFFFAOYSA-N -1 3 356.651 3.329 20 10 FGCDHM CN1CCn2nc(NCc3cc(Cl)cc(Br)c3[O-])cc2C1 ZINC000883199679 737534712 /nfs/dbraw/zinc/53/47/12/737534712.db2.gz MOUFVFUNNOYFQB-UHFFFAOYSA-N -1 3 371.666 3.062 20 10 FGCDHM O=c1cc(C(F)(F)F)nc(C=Cc2ccc(N3CCOCC3)cc2)[n-]1 ZINC000848642621 731190803 /nfs/dbraw/zinc/19/08/03/731190803.db2.gz IUMPOCZKMNGMMX-ZZXKWVIFSA-N -1 3 351.328 3.208 20 10 FGCDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(O)cc1SC)C1CCCCC1 ZINC000849309551 731245549 /nfs/dbraw/zinc/24/55/49/731245549.db2.gz IUGSKYRDOXWTMO-HNNXBMFYSA-N -1 3 359.513 3.451 20 10 FGCDHM C[C@H](Nc1ccc(OCCS(C)(=O)=O)cc1)c1ccc(F)cc1[O-] ZINC000850487342 731362354 /nfs/dbraw/zinc/36/23/54/731362354.db2.gz HVPCULWUQLNGNQ-LBPRGKRZSA-N -1 3 353.415 3.128 20 10 FGCDHM Cc1ccnc(N2CCN(Cc3c([O-])cccc3Br)CC2)c1 ZINC000862228745 732790718 /nfs/dbraw/zinc/79/07/18/732790718.db2.gz WUGBCMQTUHKSBU-UHFFFAOYSA-N -1 3 362.271 3.180 20 10 FGCDHM CN(Cc1c([O-])cccc1Br)[C@@H]1CCCc2c1cnn2C ZINC000862250629 732798763 /nfs/dbraw/zinc/79/87/63/732798763.db2.gz MUMNPQHLHPRXHP-CQSZACIVSA-N -1 3 350.260 3.398 20 10 FGCDHM CN(C)[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1cccs1 ZINC000891509654 739909224 /nfs/dbraw/zinc/90/92/24/739909224.db2.gz SVZNGQFZMDNBCZ-ZDUSSCGKSA-N -1 3 353.875 3.209 20 10 FGCDHM C[C@H]1CCCN(C(=O)C2CCN(Cc3cc(F)cc(F)c3[O-])CC2)C1 ZINC000893962666 742219336 /nfs/dbraw/zinc/21/93/36/742219336.db2.gz RBYFKTBXEDIMBY-ZDUSSCGKSA-N -1 3 352.425 3.141 20 10 FGCDHM [O-]c1c(F)cc(F)cc1CN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000894498153 742291817 /nfs/dbraw/zinc/29/18/17/742291817.db2.gz UYIYNHGSJZYFTE-UHFFFAOYSA-N -1 3 355.331 3.432 20 10 FGCDHM Cn1ccc(C2CCN(Cc3cc(Br)cc(F)c3[O-])CC2)n1 ZINC000896494949 742558881 /nfs/dbraw/zinc/55/88/81/742558881.db2.gz PBCRRCXANXOBAZ-UHFFFAOYSA-N -1 3 368.250 3.407 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCC(CO)(C(F)(F)F)CC1 ZINC000897037700 742634359 /nfs/dbraw/zinc/63/43/59/742634359.db2.gz UCNHOLYTXTWRTQ-UHFFFAOYSA-N -1 3 368.193 3.292 20 10 FGCDHM CC(C)(C)OC(=O)NCCCCCC(=O)NCc1c([O-])cccc1F ZINC000928708431 760241949 /nfs/dbraw/zinc/24/19/49/760241949.db2.gz LWAGMSLEEDGELV-UHFFFAOYSA-N -1 3 354.422 3.233 20 10 FGCDHM Cc1ccccc1NC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000072952764 494289877 /nfs/dbraw/zinc/28/98/77/494289877.db2.gz JEZMEZHGNXIRGW-GOSISDBHSA-N -1 3 354.450 3.320 20 10 FGCDHM C[C@H](NC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1)c1cccs1 ZINC000096971111 495017802 /nfs/dbraw/zinc/01/78/02/495017802.db2.gz SDSMBTQPYICTDR-RDJZCZTQSA-N -1 3 374.506 3.312 20 10 FGCDHM Cc1ccc(C(=O)Nc2ccccc2CN2CCSCC2)c([O-])c1O ZINC000179463076 495601191 /nfs/dbraw/zinc/60/11/91/495601191.db2.gz LOOJMVVGDDKKCD-UHFFFAOYSA-N -1 3 358.463 3.207 20 10 FGCDHM COc1cc(Cl)cc(CN2CCN([C@H](C)c3nccs3)CC2)c1[O-] ZINC000185610338 495642567 /nfs/dbraw/zinc/64/25/67/495642567.db2.gz VSGIGJFDBGCBRR-GFCCVEGCSA-N -1 3 367.902 3.390 20 10 FGCDHM COc1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000182732061 495680198 /nfs/dbraw/zinc/68/01/98/495680198.db2.gz OKCXCSPQYOQKJP-ZDUSSCGKSA-N -1 3 363.483 3.306 20 10 FGCDHM Cc1nc([C@@H](NCc2cc3c(cc2[O-])OCO3)c2ccc(Cl)cc2)no1 ZINC000180198810 495901750 /nfs/dbraw/zinc/90/17/50/495901750.db2.gz VASKRXPGPGIYOT-KRWDZBQOSA-N -1 3 373.796 3.345 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC(NC(=O)c3ccoc3C)CC2)c1[O-] ZINC000175632345 496473909 /nfs/dbraw/zinc/47/39/09/496473909.db2.gz MFPSORPZXFQMRE-UHFFFAOYSA-N -1 3 374.412 3.030 20 10 FGCDHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c([O-])c1O ZINC000182292208 496726735 /nfs/dbraw/zinc/72/67/35/496726735.db2.gz BIYYWPXOZGVUPH-UHFFFAOYSA-N -1 3 372.396 3.036 20 10 FGCDHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(N(C)C)cc2)c1OC ZINC000277419948 496767983 /nfs/dbraw/zinc/76/79/83/496767983.db2.gz SVDNMEGINFVSMP-KRWDZBQOSA-N -1 3 358.438 3.075 20 10 FGCDHM C[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000273396466 496793867 /nfs/dbraw/zinc/79/38/67/496793867.db2.gz LYXGLCVCKIGCKY-CYBMUJFWSA-N -1 3 353.871 3.311 20 10 FGCDHM COc1cc(Cl)cc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c1[O-] ZINC000188458596 496796647 /nfs/dbraw/zinc/79/66/47/496796647.db2.gz DMBPPZPGRMAEQT-NSHDSACASA-N -1 3 350.850 3.346 20 10 FGCDHM COc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1Cl ZINC000278551821 497150920 /nfs/dbraw/zinc/15/09/20/497150920.db2.gz ZFAVQSOSDDBDKS-UHFFFAOYSA-N -1 3 352.774 3.261 20 10 FGCDHM COc1c([O-])c(CNCc2cccc(OCC(F)F)c2)ccc1[N+](=O)[O-] ZINC000278904253 497261265 /nfs/dbraw/zinc/26/12/65/497261265.db2.gz RQEXWRXEUREZOJ-UHFFFAOYSA-N -1 3 368.336 3.243 20 10 FGCDHM COc1c([O-])c(CNc2ccc(N3CCOC[C@@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000278950248 497278315 /nfs/dbraw/zinc/27/83/15/497278315.db2.gz ZHJIOUUQAMVBGW-ZDUSSCGKSA-N -1 3 373.409 3.146 20 10 FGCDHM C[C@@H](c1ccccc1)N(Cc1ccccc1[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000279771297 497536326 /nfs/dbraw/zinc/53/63/26/497536326.db2.gz STWYPQQKIFIMCW-DLBZAZTESA-N -1 3 359.491 3.390 20 10 FGCDHM Cc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)c([O-])c1O ZINC000267541916 497575206 /nfs/dbraw/zinc/57/52/06/497575206.db2.gz AJDWDBWJRGXTSS-INIZCTEOSA-N -1 3 351.406 3.270 20 10 FGCDHM CCN(Cc1ncnn1C(C)C)Cc1cc(Br)ccc1[O-] ZINC000279918921 497588384 /nfs/dbraw/zinc/58/83/84/497588384.db2.gz FXGVKAHQUZXERH-UHFFFAOYSA-N -1 3 353.264 3.349 20 10 FGCDHM O=C(c1ccc(NCc2c([O-])cccc2Cl)cc1)N1CCC(O)CC1 ZINC000280844735 497920451 /nfs/dbraw/zinc/92/04/51/497920451.db2.gz YURPYCSUENBIMP-UHFFFAOYSA-N -1 3 360.841 3.255 20 10 FGCDHM Nc1nc(Cl)cc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000301209397 498001219 /nfs/dbraw/zinc/00/12/19/498001219.db2.gz SUKDBYMZDDYFAG-GFCCVEGCSA-N -1 3 368.268 3.148 20 10 FGCDHM CC[C@H](N[C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1[O-] ZINC000285973397 498257169 /nfs/dbraw/zinc/25/71/69/498257169.db2.gz HFZJKDNIAXWOKZ-SJCJKPOMSA-N -1 3 366.458 3.241 20 10 FGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1ccncc1OC[C@@H]1CCOC1 ZINC000293951988 498542091 /nfs/dbraw/zinc/54/20/91/498542091.db2.gz PDUKXIIPLHXTCU-GFCCVEGCSA-N -1 3 366.820 3.285 20 10 FGCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)cc1F ZINC000290427535 498549585 /nfs/dbraw/zinc/54/95/85/498549585.db2.gz AHIOSOBVLUZNBM-UHFFFAOYSA-N -1 3 369.414 3.266 20 10 FGCDHM COc1cc(Br)cc(CN2CCOC[C@H]2c2ccco2)c1[O-] ZINC000369772545 499442090 /nfs/dbraw/zinc/44/20/90/499442090.db2.gz LJEQJUPZAXBDGK-ZDUSSCGKSA-N -1 3 368.227 3.330 20 10 FGCDHM Cc1ccc(C(=O)N(C)[C@H](c2ccc(F)cc2)c2cnccn2)c([O-])c1O ZINC000378561752 499532097 /nfs/dbraw/zinc/53/20/97/499532097.db2.gz PEQUTWJHGBCXSK-QGZVFWFLSA-N -1 3 367.380 3.197 20 10 FGCDHM COc1c([O-])c(CNc2cccc(-c3nnc(C)o3)c2)ccc1[N+](=O)[O-] ZINC000377208520 499670783 /nfs/dbraw/zinc/67/07/83/499670783.db2.gz SFLHSGFTQQTWKH-UHFFFAOYSA-N -1 3 356.338 3.280 20 10 FGCDHM Cc1ccc(C)c(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737325689 598317693 /nfs/dbraw/zinc/31/76/93/598317693.db2.gz GQYBTCMFYGWDGG-UHFFFAOYSA-N -1 3 373.873 3.450 20 10 FGCDHM Cc1ccc(C)c(NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737325689 598317694 /nfs/dbraw/zinc/31/76/94/598317694.db2.gz GQYBTCMFYGWDGG-UHFFFAOYSA-N -1 3 373.873 3.450 20 10 FGCDHM COc1ccc(N2CCC(Nc3cccc(F)c3-c3nnn[n-]3)CC2)cc1 ZINC000737099754 598353070 /nfs/dbraw/zinc/35/30/70/598353070.db2.gz QEUXKKMLBBRGRU-UHFFFAOYSA-N -1 3 368.416 3.095 20 10 FGCDHM COc1ccc(N2CCC(Nc3cccc(F)c3-c3nn[n-]n3)CC2)cc1 ZINC000737099754 598353071 /nfs/dbraw/zinc/35/30/71/598353071.db2.gz QEUXKKMLBBRGRU-UHFFFAOYSA-N -1 3 368.416 3.095 20 10 FGCDHM Cc1cc(C(=O)OCc2cccnc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737244167 598641945 /nfs/dbraw/zinc/64/19/45/598641945.db2.gz ZPYRBGVLZAFHFG-UHFFFAOYSA-N -1 3 374.404 3.026 20 10 FGCDHM O=C([O-])C1(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)CCCCC1 ZINC000739273285 600318775 /nfs/dbraw/zinc/31/87/75/600318775.db2.gz HEMAKAQUTOBDPP-UHFFFAOYSA-N -1 3 374.481 3.041 20 10 FGCDHM O=C([O-])C1(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CCCCC1 ZINC000739273285 600318778 /nfs/dbraw/zinc/31/87/78/600318778.db2.gz HEMAKAQUTOBDPP-UHFFFAOYSA-N -1 3 374.481 3.041 20 10 FGCDHM COC(=O)c1cc2ccccc2c(C[NH+]2CCC(CCC(=O)[O-])CC2)c1[O-] ZINC000831353363 601798142 /nfs/dbraw/zinc/79/81/42/601798142.db2.gz GXOAWIZYJMUGBH-UHFFFAOYSA-N -1 3 371.433 3.409 20 10 FGCDHM Cc1[nH]c2ccccc2c1C1=CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826233726 607727271 /nfs/dbraw/zinc/72/72/71/607727271.db2.gz SWWDAHFOINFTTL-UHFFFAOYSA-N -1 3 357.421 3.345 20 10 FGCDHM Cc1[nH]c2ccccc2c1C1=CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826233726 607727274 /nfs/dbraw/zinc/72/72/74/607727274.db2.gz SWWDAHFOINFTTL-UHFFFAOYSA-N -1 3 357.421 3.345 20 10 FGCDHM COc1ccc2ccc(O)c(CN(C)c3ccccc3-c3nnn[n-]3)c2c1 ZINC000826213510 607847665 /nfs/dbraw/zinc/84/76/65/607847665.db2.gz ZEERAVHLWPRKAP-UHFFFAOYSA-N -1 3 361.405 3.371 20 10 FGCDHM COc1ccc2ccc(O)c(CN(C)c3ccccc3-c3nn[n-]n3)c2c1 ZINC000826213510 607847666 /nfs/dbraw/zinc/84/76/66/607847666.db2.gz ZEERAVHLWPRKAP-UHFFFAOYSA-N -1 3 361.405 3.371 20 10 FGCDHM Cc1ccc(-c2nnn[n-]2)c(N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000826274559 608271021 /nfs/dbraw/zinc/27/10/21/608271021.db2.gz VNCYGTSVUGRLAH-UHFFFAOYSA-N -1 3 363.469 3.197 20 10 FGCDHM Cc1ccc(-c2nn[n-]n2)c(N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000826274559 608271022 /nfs/dbraw/zinc/27/10/22/608271022.db2.gz VNCYGTSVUGRLAH-UHFFFAOYSA-N -1 3 363.469 3.197 20 10 FGCDHM CCN(CC)c1ccc(CNc2nc(C)ccc2-c2nnn[n-]2)cc1F ZINC000825417138 608286148 /nfs/dbraw/zinc/28/61/48/608286148.db2.gz OSAWJZIJAZOFCD-UHFFFAOYSA-N -1 3 355.421 3.168 20 10 FGCDHM CCN(CC)c1ccc(CNc2nc(C)ccc2-c2nn[n-]n2)cc1F ZINC000825417138 608286150 /nfs/dbraw/zinc/28/61/50/608286150.db2.gz OSAWJZIJAZOFCD-UHFFFAOYSA-N -1 3 355.421 3.168 20 10 FGCDHM CCOc1ccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c(O)c1 ZINC000825638355 609491755 /nfs/dbraw/zinc/49/17/55/609491755.db2.gz JYAIWJPGGRJQGG-UHFFFAOYSA-N -1 3 369.425 3.370 20 10 FGCDHM CCOc1ccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c(O)c1 ZINC000825638355 609491756 /nfs/dbraw/zinc/49/17/56/609491756.db2.gz JYAIWJPGGRJQGG-UHFFFAOYSA-N -1 3 369.425 3.370 20 10 FGCDHM CCOc1cccc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])n1 ZINC000123217310 700701741 /nfs/dbraw/zinc/70/17/41/700701741.db2.gz ZRAIZCLUJLRCRT-UHFFFAOYSA-N -1 3 364.829 3.015 20 10 FGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000151874825 704940714 /nfs/dbraw/zinc/94/07/14/704940714.db2.gz ICHGARMSWNYMBV-SNVBAGLBSA-N -1 3 353.827 3.478 20 10 FGCDHM CC(C)(C)OC(=O)[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000179962435 705722349 /nfs/dbraw/zinc/72/23/49/705722349.db2.gz CEXFTWCGTGANBW-GFCCVEGCSA-N -1 3 356.260 3.318 20 10 FGCDHM CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(C)cc(Br)c3[O-])[C@H]2C1 ZINC000781913172 724611685 /nfs/dbraw/zinc/61/16/85/724611685.db2.gz ZWQRHYSSXGNPKK-KBMXLJTQSA-N -1 3 370.287 3.231 20 10 FGCDHM COC(=O)c1cncc(NCc2cc(C)cc(Br)c2[O-])c1 ZINC000783832473 724794645 /nfs/dbraw/zinc/79/46/45/724794645.db2.gz HXQHMMUXGOEUSB-UHFFFAOYSA-N -1 3 351.200 3.257 20 10 FGCDHM C[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756711146 722968971 /nfs/dbraw/zinc/96/89/71/722968971.db2.gz IRIPEAUXIBDRRW-BMIGLBTASA-N -1 3 350.340 3.266 20 10 FGCDHM C[C@@H]1CN(C[C@H]2CCCN2Cc2c([O-])ccc(Cl)c2F)C[C@H](C)O1 ZINC000792167323 723317173 /nfs/dbraw/zinc/31/71/73/723317173.db2.gz NFPFASKWZZIUOJ-HZSPNIEDSA-N -1 3 356.869 3.258 20 10 FGCDHM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000795346796 723583927 /nfs/dbraw/zinc/58/39/27/723583927.db2.gz VCTMEWRCWGDNAV-UHFFFAOYSA-N -1 3 353.827 3.233 20 10 FGCDHM CCC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCC1 ZINC000769760881 723694430 /nfs/dbraw/zinc/69/44/30/723694430.db2.gz WHVJNBXBDWNBGT-INIZCTEOSA-N -1 3 368.499 3.243 20 10 FGCDHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775664594 724018946 /nfs/dbraw/zinc/01/89/46/724018946.db2.gz NFVPWNSDNOXEKU-SNVBAGLBSA-N -1 3 372.849 3.025 20 10 FGCDHM C[C@H](Cc1ccccc1Br)NC(=O)c1cccc(O)c1[O-] ZINC000776668866 724168841 /nfs/dbraw/zinc/16/88/41/724168841.db2.gz DHTFIMSCLOINCT-SNVBAGLBSA-N -1 3 350.212 3.221 20 10 FGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)ccc1O ZINC000776748672 724179281 /nfs/dbraw/zinc/17/92/81/724179281.db2.gz WHGGFCVRBGBFTR-UHFFFAOYSA-N -1 3 374.340 3.002 20 10 FGCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1cnc(N2CCCC2)nc1 ZINC000809775675 725267796 /nfs/dbraw/zinc/26/77/96/725267796.db2.gz HOVAXDQEIGGWGF-UHFFFAOYSA-N -1 3 353.253 3.379 20 10 FGCDHM O=C1C[C@H](NCc2c([O-])ccc(Cl)c2F)CN1c1ccccc1F ZINC000812783095 726811439 /nfs/dbraw/zinc/81/14/39/726811439.db2.gz YHQCFJLXCDYRRN-JTQLQIEISA-N -1 3 352.768 3.219 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCN(c2ccc(O)cc2)CC1 ZINC000824484258 729342266 /nfs/dbraw/zinc/34/22/66/729342266.db2.gz ADYNQHMDCJYAQA-UHFFFAOYSA-N -1 3 363.255 3.183 20 10 FGCDHM CC[C@@H](N[C@@H](C(N)=O)c1ccccn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000824515826 729344870 /nfs/dbraw/zinc/34/48/70/729344870.db2.gz IPFNQKRPJAZMRC-IUODEOHRSA-N -1 3 353.344 3.073 20 10 FGCDHM Cc1cc([O-])c(CN2CCN(C(=O)c3ccsc3)CC2)cc1Cl ZINC000824601736 729349660 /nfs/dbraw/zinc/34/96/60/729349660.db2.gz MUGUTJHFLHLGHQ-UHFFFAOYSA-N -1 3 350.871 3.374 20 10 FGCDHM CCc1cccc(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000825723183 729393062 /nfs/dbraw/zinc/39/30/62/729393062.db2.gz TWMJVLUJRWVABV-UHFFFAOYSA-N -1 3 373.873 3.396 20 10 FGCDHM CCc1cccc(NC(=S)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000825723183 729393064 /nfs/dbraw/zinc/39/30/64/729393064.db2.gz TWMJVLUJRWVABV-UHFFFAOYSA-N -1 3 373.873 3.396 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCN(c2ccnc(F)c2)CC1 ZINC000826062407 729403958 /nfs/dbraw/zinc/40/39/58/729403958.db2.gz RBUACFAAOFNEAU-UHFFFAOYSA-N -1 3 366.234 3.011 20 10 FGCDHM Cc1cc([O-])c(CN2CCc3nnc(N4CCCC4)cc3C2)c(Cl)c1 ZINC000828100361 729439830 /nfs/dbraw/zinc/43/98/30/729439830.db2.gz MLZRMCXRFVOVDO-UHFFFAOYSA-N -1 3 358.873 3.303 20 10 FGCDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(O)cc1SC)C1CCCCC1 ZINC000849309553 731245471 /nfs/dbraw/zinc/24/54/71/731245471.db2.gz IUGSKYRDOXWTMO-OAHLLOKOSA-N -1 3 359.513 3.451 20 10 FGCDHM CCS(=O)(=O)N(C)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000850391001 731351311 /nfs/dbraw/zinc/35/13/11/731351311.db2.gz ALKLENLTBSCZAT-UHFFFAOYSA-N -1 3 354.859 3.444 20 10 FGCDHM COC(=O)CN(Cc1ccnc(F)c1C)Cc1cc(Cl)ccc1[O-] ZINC000862239798 732795168 /nfs/dbraw/zinc/79/51/68/732795168.db2.gz IZOABNMLNVXIAY-UHFFFAOYSA-N -1 3 352.793 3.063 20 10 FGCDHM COc1ccc([C@@H](CO)N(C)Cc2c([O-])cccc2Br)cc1 ZINC000862244457 732796834 /nfs/dbraw/zinc/79/68/34/732796834.db2.gz BCNIOAQMQFXWMQ-MRXNPFEDSA-N -1 3 366.255 3.329 20 10 FGCDHM C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1c([O-])cccc1Br ZINC000862363717 732815769 /nfs/dbraw/zinc/81/57/69/732815769.db2.gz SFTWRFVFRQKKCN-PRHODGIISA-N -1 3 354.166 3.306 20 10 FGCDHM Cn1cc([C@H](NCc2ccc(Br)cc2[O-])C(F)(F)F)cn1 ZINC000862364732 732816478 /nfs/dbraw/zinc/81/64/78/732816478.db2.gz GRMQGTFRBREQOS-LBPRGKRZSA-N -1 3 364.165 3.281 20 10 FGCDHM CCOC(=O)C[C@H](NCc1c([O-])cccc1Br)C(F)(F)F ZINC000862412596 732828630 /nfs/dbraw/zinc/82/86/30/732828630.db2.gz QZAQPHKTAFLHQZ-NSHDSACASA-N -1 3 370.165 3.128 20 10 FGCDHM C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000903396419 743844867 /nfs/dbraw/zinc/84/48/67/743844867.db2.gz LVYBECZIJYQOLM-NXEZZACHSA-N -1 3 369.252 3.124 20 10 FGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000922762178 759000430 /nfs/dbraw/zinc/00/04/30/759000430.db2.gz VKAASEUISCETMM-ABAIWWIYSA-N -1 3 350.415 3.312 20 10 FGCDHM C[C@@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000186675970 496102401 /nfs/dbraw/zinc/10/24/01/496102401.db2.gz MXMXDRWHNMYMSF-LLVKDONJSA-N -1 3 350.415 3.027 20 10 FGCDHM COc1cc(Cl)cc(CN2CCCN(c3nccs3)CC2)c1[O-] ZINC000184683710 496491124 /nfs/dbraw/zinc/49/11/24/496491124.db2.gz JXPMINAGCDWVFM-UHFFFAOYSA-N -1 3 353.875 3.223 20 10 FGCDHM C[C@@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273387162 496791201 /nfs/dbraw/zinc/79/12/01/496791201.db2.gz JWPMHTVQOLFNIA-BEFAXECRSA-N -1 3 371.437 3.025 20 10 FGCDHM CO[C@]1(C)C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C1(C)C ZINC000277584192 496820186 /nfs/dbraw/zinc/82/01/86/496820186.db2.gz GCHCRWAYHUAGDE-RDTXWAMCSA-N -1 3 366.845 3.013 20 10 FGCDHM CCOC1CC(CCN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C1 ZINC000278017660 496973706 /nfs/dbraw/zinc/97/37/06/496973706.db2.gz WGFKZFXIEHDBIK-UHFFFAOYSA-N -1 3 366.845 3.015 20 10 FGCDHM CC[C@](C)(NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1nc(C)cs1 ZINC000278472376 497126128 /nfs/dbraw/zinc/12/61/28/497126128.db2.gz HLRAZNQNBDUFQS-INIZCTEOSA-N -1 3 351.428 3.489 20 10 FGCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1cccc(N2CCOCC2)n1 ZINC000274775801 497163306 /nfs/dbraw/zinc/16/33/06/497163306.db2.gz JQDLNBBHHNZSDQ-UHFFFAOYSA-N -1 3 368.264 3.220 20 10 FGCDHM COc1c([O-])c(CN2CCC(Oc3ccncc3C)CC2)ccc1[N+](=O)[O-] ZINC000278637946 497176169 /nfs/dbraw/zinc/17/61/69/497176169.db2.gz ISTZDGSDSAITSW-UHFFFAOYSA-N -1 3 373.409 3.056 20 10 FGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H](OC1CCOCC1)c1ccccc1 ZINC000279854496 497565528 /nfs/dbraw/zinc/56/55/28/497565528.db2.gz PFMXOEHEFRNNBJ-JLTOFOAXSA-N -1 3 371.433 3.153 20 10 FGCDHM Cc1cc(Br)cc(CN2C[C@H](C)OC3(CCOCC3)C2)c1[O-] ZINC000280365247 497731557 /nfs/dbraw/zinc/73/15/57/497731557.db2.gz DCPQWJJJXOMLMK-ZDUSSCGKSA-N -1 3 370.287 3.233 20 10 FGCDHM CCc1cnc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)s1 ZINC000277136441 497751367 /nfs/dbraw/zinc/75/13/67/497751367.db2.gz BJWDGWJTCIDAII-UHFFFAOYSA-N -1 3 365.842 3.029 20 10 FGCDHM Cc1nc([C@@H]2CCCN(Cc3cc(Br)ccc3[O-])C2)no1 ZINC000362385588 498507063 /nfs/dbraw/zinc/50/70/63/498507063.db2.gz CDVQKSKDAHCAJY-LLVKDONJSA-N -1 3 352.232 3.226 20 10 FGCDHM O=C(c1ccc(NCc2c([O-])cccc2Cl)cc1F)N1CCOCC1 ZINC000283772339 498978691 /nfs/dbraw/zinc/97/86/91/498978691.db2.gz CCNZMUPSOUVYDC-UHFFFAOYSA-N -1 3 364.804 3.269 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccnc(OC(F)F)c2)c1 ZINC000284437191 499108025 /nfs/dbraw/zinc/10/80/25/499108025.db2.gz SMWVIKHOTYMEJC-SNVBAGLBSA-N -1 3 352.337 3.026 20 10 FGCDHM CN(C)c1ccc(C2=CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C2)cc1 ZINC000371614038 499347574 /nfs/dbraw/zinc/34/75/74/499347574.db2.gz ABRFBCNHRWYWBJ-UHFFFAOYSA-N -1 3 359.429 3.134 20 10 FGCDHM Cc1ccc(C(=O)N2CCC[C@H](n3cnc4ccccc43)C2)c([O-])c1O ZINC000371666820 499352863 /nfs/dbraw/zinc/35/28/63/499352863.db2.gz XCDVGIRRSDALMA-AWEZNQCLSA-N -1 3 351.406 3.233 20 10 FGCDHM Cc1ccc(C(=O)N2CCC[C@@H](n3cnc4ccccc43)C2)c([O-])c1O ZINC000371666821 499353051 /nfs/dbraw/zinc/35/30/51/499353051.db2.gz XCDVGIRRSDALMA-CQSZACIVSA-N -1 3 351.406 3.233 20 10 FGCDHM Cc1ncsc1C(=O)NC1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000378440623 499517193 /nfs/dbraw/zinc/51/71/93/499517193.db2.gz CUIGHCOEHJUFKU-UHFFFAOYSA-N -1 3 365.886 3.205 20 10 FGCDHM [O-]c1ccc(F)cc1CN1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000378499734 499524760 /nfs/dbraw/zinc/52/47/60/499524760.db2.gz RQAHHLCEBBMGTK-AWEZNQCLSA-N -1 3 355.373 3.099 20 10 FGCDHM [O-]c1cc(Br)ccc1CNC[C@H](n1cccn1)C(F)(F)F ZINC000529636878 504749757 /nfs/dbraw/zinc/74/97/57/504749757.db2.gz KNJAYWITAPJKEV-LBPRGKRZSA-N -1 3 364.165 3.244 20 10 FGCDHM CCOC[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000529664810 504754780 /nfs/dbraw/zinc/75/47/80/504754780.db2.gz DVKYJTCYWDIFNX-HXUWFJFHSA-N -1 3 357.450 3.209 20 10 FGCDHM Cc1cc(C(=O)OCc2ccccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737241039 598623105 /nfs/dbraw/zinc/62/31/05/598623105.db2.gz JCJDMPBFCVQAQH-UHFFFAOYSA-N -1 3 374.404 3.026 20 10 FGCDHM O=C([O-])c1ccc(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000739273329 600148132 /nfs/dbraw/zinc/14/81/32/600148132.db2.gz IJWLAIWCNZWWRK-UHFFFAOYSA-N -1 3 368.433 3.474 20 10 FGCDHM O=C([O-])c1ccc(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000739273329 600148135 /nfs/dbraw/zinc/14/81/35/600148135.db2.gz IJWLAIWCNZWWRK-UHFFFAOYSA-N -1 3 368.433 3.474 20 10 FGCDHM CCOc1ccc(O)c(CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000833662642 604675054 /nfs/dbraw/zinc/67/50/54/604675054.db2.gz JBJCFWXNZUIDBS-QGZVFWFLSA-N -1 3 369.339 3.466 20 10 FGCDHM Clc1ccc(C2=CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cn1 ZINC000826351539 608295882 /nfs/dbraw/zinc/29/58/82/608295882.db2.gz QLDZUHYNXPYMRW-UHFFFAOYSA-N -1 3 374.235 3.257 20 10 FGCDHM Clc1ccc(C2=CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cn1 ZINC000826351539 608295884 /nfs/dbraw/zinc/29/58/84/608295884.db2.gz QLDZUHYNXPYMRW-UHFFFAOYSA-N -1 3 374.235 3.257 20 10 FGCDHM O=C(Nc1cccc(N2CCCC2)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826456611 608575834 /nfs/dbraw/zinc/57/58/34/608575834.db2.gz ODUNIILHGMRJIC-UHFFFAOYSA-N -1 3 368.828 3.373 20 10 FGCDHM O=C(Nc1cccc(N2CCCC2)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826456611 608575835 /nfs/dbraw/zinc/57/58/35/608575835.db2.gz ODUNIILHGMRJIC-UHFFFAOYSA-N -1 3 368.828 3.373 20 10 FGCDHM CCCN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825322349 609289660 /nfs/dbraw/zinc/28/96/60/609289660.db2.gz AVXOQHYMLYPZEW-UHFFFAOYSA-N -1 3 371.828 3.278 20 10 FGCDHM CCCN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825322349 609289662 /nfs/dbraw/zinc/28/96/62/609289662.db2.gz AVXOQHYMLYPZEW-UHFFFAOYSA-N -1 3 371.828 3.278 20 10 FGCDHM COC(=O)CN(Cc1cccc(Cl)n1)Cc1cc(Cl)ccc1[O-] ZINC000072629880 695961639 /nfs/dbraw/zinc/96/16/39/695961639.db2.gz LXFDZFSXPQMJRX-UHFFFAOYSA-N -1 3 355.221 3.269 20 10 FGCDHM CC(=O)c1cc(F)cc(CN(C)CCN(C)C(=O)OC(C)(C)C)c1[O-] ZINC000091763586 700424927 /nfs/dbraw/zinc/42/49/27/700424927.db2.gz MEMRMRAUXSWUGK-UHFFFAOYSA-N -1 3 354.422 3.033 20 10 FGCDHM COC(=O)CN(Cc1c[nH]nc1C(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000093277116 700449580 /nfs/dbraw/zinc/44/95/80/700449580.db2.gz MXIIVXLZHZRQAO-UHFFFAOYSA-N -1 3 365.861 3.241 20 10 FGCDHM O=C(NCC(F)(F)F)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775654753 724016977 /nfs/dbraw/zinc/01/69/77/724016977.db2.gz OLXXVYMCOGCZPP-UHFFFAOYSA-N -1 3 368.758 3.075 20 10 FGCDHM O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1cccc(O)c1[O-] ZINC000804522217 724524578 /nfs/dbraw/zinc/52/45/78/724524578.db2.gz XVFOWJPWOIFDEK-CYBMUJFWSA-N -1 3 356.205 3.258 20 10 FGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CC1(Cl)Cl ZINC000749299082 722723786 /nfs/dbraw/zinc/72/37/86/722723786.db2.gz UCOKMHNZNYQDEF-JTQLQIEISA-N -1 3 352.645 3.214 20 10 FGCDHM CCc1nnc([C@H](C)N[C@H](C)c2cc(Br)c(F)cc2[O-])[nH]1 ZINC000756779208 722969997 /nfs/dbraw/zinc/96/99/97/722969997.db2.gz RAOQPSPQKXRYNN-SFYZADRCSA-N -1 3 357.227 3.386 20 10 FGCDHM CCOC(=O)CSc1nnc(NCc2c([O-])cccc2Cl)s1 ZINC000790517628 723148079 /nfs/dbraw/zinc/14/80/79/723148079.db2.gz IGJSRICFXCNEJB-UHFFFAOYSA-N -1 3 359.860 3.164 20 10 FGCDHM C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cccc(O)c1[O-] ZINC000790578609 723155248 /nfs/dbraw/zinc/15/52/48/723155248.db2.gz CWTFMXBJRWLFBW-JTQLQIEISA-N -1 3 350.212 3.221 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2C[C@]3(CCOC3)OC(C)(C)C2)c1 ZINC000793365782 723430757 /nfs/dbraw/zinc/43/07/57/723430757.db2.gz OFBSPGKNWPNEHO-KRWDZBQOSA-N -1 3 370.287 3.233 20 10 FGCDHM CN(C)[C@H](C(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765727390 723535577 /nfs/dbraw/zinc/53/55/77/723535577.db2.gz NJVPGYOJNSQFFR-HNNXBMFYSA-N -1 3 363.255 3.074 20 10 FGCDHM C[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000794826556 723547903 /nfs/dbraw/zinc/54/79/03/723547903.db2.gz CJUDXMJUUYMREO-VFZGTOFNSA-N -1 3 367.218 3.171 20 10 FGCDHM Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)ns1 ZINC000768080969 723646320 /nfs/dbraw/zinc/64/63/20/723646320.db2.gz OCGJJAHVMAQJAP-AWEZNQCLSA-N -1 3 365.886 3.205 20 10 FGCDHM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769673431 723691891 /nfs/dbraw/zinc/69/18/91/723691891.db2.gz XHROIXZTJZPCEL-GJZGRUSLSA-N -1 3 368.499 3.098 20 10 FGCDHM COc1cc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)ccc1O ZINC000797819958 723866020 /nfs/dbraw/zinc/86/60/20/723866020.db2.gz YXURBZKHFFROGH-SECBINFHSA-N -1 3 369.826 3.178 20 10 FGCDHM COc1c([O-])c(CNc2cc3c(cc2Cl)OCO3)ccc1[N+](=O)[O-] ZINC000775047909 723956037 /nfs/dbraw/zinc/95/60/37/723956037.db2.gz OJJNYLOEAVCKPD-UHFFFAOYSA-N -1 3 352.730 3.303 20 10 FGCDHM COc1c([O-])c(CNc2cnc(Br)c(C)c2)ccc1[N+](=O)[O-] ZINC000775055173 723956472 /nfs/dbraw/zinc/95/64/72/723956472.db2.gz QPHUWZQJPQBQRD-UHFFFAOYSA-N -1 3 368.187 3.387 20 10 FGCDHM COC[C@H](C)n1ccc(NCc2cc(C)cc(Br)c2[O-])n1 ZINC000778213435 724311436 /nfs/dbraw/zinc/31/14/36/724311436.db2.gz JWIFQDAEKCUEPP-NSHDSACASA-N -1 3 354.248 3.479 20 10 FGCDHM CN(C)Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000813684438 726904946 /nfs/dbraw/zinc/90/49/46/726904946.db2.gz IQBBNIXPYSIDQW-UHFFFAOYSA-N -1 3 354.237 3.086 20 10 FGCDHM Cc1nc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(C)o1 ZINC000815835237 727101018 /nfs/dbraw/zinc/10/10/18/727101018.db2.gz NWEUIIZGARDARI-HNNXBMFYSA-N -1 3 363.845 3.045 20 10 FGCDHM O=C(NC1CC1)OC[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816615063 727180852 /nfs/dbraw/zinc/18/08/52/727180852.db2.gz MCVXPCTYZBVDOH-ZDUSSCGKSA-N -1 3 356.825 3.428 20 10 FGCDHM COc1ccc(N2CC[C@@H](CNC(=O)c3cc([O-])ccc3Cl)C2)cc1 ZINC000819587881 727383620 /nfs/dbraw/zinc/38/36/20/727383620.db2.gz IURDOELCDSBKRQ-ZDUSSCGKSA-N -1 3 360.841 3.311 20 10 FGCDHM Cc1cc([O-])c(CN2CCN(C(=O)c3ccc(O)cc3)CC2)cc1Cl ZINC000824592069 729349468 /nfs/dbraw/zinc/34/94/68/729349468.db2.gz DMKBPSCDNQDINI-UHFFFAOYSA-N -1 3 360.841 3.018 20 10 FGCDHM Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1Cl ZINC000825949071 729400634 /nfs/dbraw/zinc/40/06/34/729400634.db2.gz OVXPJCMTMCAYGB-NSHDSACASA-N -1 3 364.795 3.245 20 10 FGCDHM Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1Cl ZINC000825949071 729400636 /nfs/dbraw/zinc/40/06/36/729400636.db2.gz OVXPJCMTMCAYGB-NSHDSACASA-N -1 3 364.795 3.245 20 10 FGCDHM Cn1ccnc1[C@H]1N(Cc2ccc(Br)cc2[O-])CC1(C)C ZINC000826043904 729403438 /nfs/dbraw/zinc/40/34/38/729403438.db2.gz VFLSEHQCGRDOGI-CQSZACIVSA-N -1 3 350.260 3.471 20 10 FGCDHM C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1c([O-])cccc1Br ZINC000862363718 732815824 /nfs/dbraw/zinc/81/58/24/732815824.db2.gz SFTWRFVFRQKKCN-QPUJVOFHSA-N -1 3 354.166 3.306 20 10 FGCDHM Cc1ccc([C@H](NCc2ccc(F)c(F)c2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000877496443 736672261 /nfs/dbraw/zinc/67/22/61/736672261.db2.gz RUDCWPDFDKEJFP-YVEFUNNKSA-N -1 3 369.433 3.243 20 10 FGCDHM O=C(NCc1cccc(Cl)c1[O-])NC[C@H](c1ccco1)N1CCCC1 ZINC000891519984 739910687 /nfs/dbraw/zinc/91/06/87/739910687.db2.gz BNJQBKDLJAFNMD-OAHLLOKOSA-N -1 3 363.845 3.275 20 10 FGCDHM O=C(NC1CCCCC1)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893979146 742222037 /nfs/dbraw/zinc/22/20/37/742222037.db2.gz ZEJKTPINNKWVTA-UHFFFAOYSA-N -1 3 352.425 3.331 20 10 FGCDHM Cn1nc(C2CC2)cc1CNCc1cc(Br)cc(F)c1[O-] ZINC000922947380 759034644 /nfs/dbraw/zinc/03/46/44/759034644.db2.gz MSPYXQLRTFNKKC-UHFFFAOYSA-N -1 3 354.223 3.195 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN[C@H](C[S@](C)=O)c2ccccc2)c1[O-] ZINC000183146362 495853880 /nfs/dbraw/zinc/85/38/80/495853880.db2.gz FRZIDMIDQGEBOX-OSPHWJPCSA-N -1 3 365.882 3.458 20 10 FGCDHM C[C@H](NCc1cccc(N(C)C)n1)c1cc(Br)ccc1[O-] ZINC000186178998 495885929 /nfs/dbraw/zinc/88/59/29/495885929.db2.gz ABKDTHRTAAIAEO-NSHDSACASA-N -1 3 350.260 3.467 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C)c1nc(COC)no1 ZINC000181934172 496604549 /nfs/dbraw/zinc/60/45/49/496604549.db2.gz YKFNXGRLGYKRCW-SNVBAGLBSA-N -1 3 370.247 3.267 20 10 FGCDHM Cc1ccc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000158050264 496616129 /nfs/dbraw/zinc/61/61/29/496616129.db2.gz OTSRHQKYVPCWQK-GOSISDBHSA-N -1 3 373.884 3.072 20 10 FGCDHM COCCOc1cc(C)ccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273609616 496853154 /nfs/dbraw/zinc/85/31/54/496853154.db2.gz VJGNLNGGOZFLBB-CQSZACIVSA-N -1 3 360.410 3.485 20 10 FGCDHM CC[C@@H](N[C@@H](C)c1cc(C(=O)OC)ccc1[O-])c1nnc2n1CCCCC2 ZINC000273610970 496853174 /nfs/dbraw/zinc/85/31/74/496853174.db2.gz VUDTZHHJHJUMEJ-XJKSGUPXSA-N -1 3 372.469 3.299 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@@](C)(O)C1CC1 ZINC000270023430 497043115 /nfs/dbraw/zinc/04/31/15/497043115.db2.gz AYVHBLQAAJGJTK-MRXNPFEDSA-N -1 3 356.260 3.054 20 10 FGCDHM COc1c([O-])c(CN[C@@H]2CCCOc3c(F)cccc32)ccc1[N+](=O)[O-] ZINC000278299956 497067064 /nfs/dbraw/zinc/06/70/64/497067064.db2.gz CQLNXGYNXSENMA-CQSZACIVSA-N -1 3 362.357 3.452 20 10 FGCDHM CC[C@@](C)(NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1nc(C)cs1 ZINC000278472378 497126609 /nfs/dbraw/zinc/12/66/09/497126609.db2.gz HLRAZNQNBDUFQS-MRXNPFEDSA-N -1 3 351.428 3.489 20 10 FGCDHM CCOc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000278935064 497272637 /nfs/dbraw/zinc/27/26/37/497272637.db2.gz WUUBGNNVZFORPS-UHFFFAOYSA-N -1 3 362.382 3.006 20 10 FGCDHM COC(=O)CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccccc1 ZINC000278952229 497279339 /nfs/dbraw/zinc/27/93/39/497279339.db2.gz ZQSYXOUYCXZYOD-OAHLLOKOSA-N -1 3 374.393 3.093 20 10 FGCDHM CCN(Cc1nnc2n1CCCC2)Cc1cc(Br)ccc1[O-] ZINC000266599481 497379986 /nfs/dbraw/zinc/37/99/86/497379986.db2.gz CSVCUJZDTWXYCV-UHFFFAOYSA-N -1 3 365.275 3.105 20 10 FGCDHM CSCCCCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277149070 497757424 /nfs/dbraw/zinc/75/74/24/497757424.db2.gz AMSRJDGTNIYQIL-UHFFFAOYSA-N -1 3 356.875 3.343 20 10 FGCDHM CC(C)c1nnc([C@H]2CC23CCN(C(=O)c2cccc(O)c2[O-])CC3)o1 ZINC000364791252 498145349 /nfs/dbraw/zinc/14/53/49/498145349.db2.gz WODDWXNXLFBMIR-CYBMUJFWSA-N -1 3 357.410 3.014 20 10 FGCDHM COc1cc(Cl)cc(CN[C@H](C)c2nnc3n2CCCCC3)c1[O-] ZINC000359960333 498232576 /nfs/dbraw/zinc/23/25/76/498232576.db2.gz ZQJUJTQOLCYLOU-LLVKDONJSA-N -1 3 350.850 3.223 20 10 FGCDHM C[C@H](NCc1ncccc1N(C)C)c1ccc(Br)cc1[O-] ZINC000289652574 498232779 /nfs/dbraw/zinc/23/27/79/498232779.db2.gz GICMNLIPDUGPRT-NSHDSACASA-N -1 3 350.260 3.467 20 10 FGCDHM O=C(Nc1ccccn1)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000365234488 498365106 /nfs/dbraw/zinc/36/51/06/498365106.db2.gz OANGALAYCMARPI-UHFFFAOYSA-N -1 3 363.820 3.430 20 10 FGCDHM CN(CC(=O)N1CCC(OCc2ccccc2)CC1)Cc1ccccc1[O-] ZINC000362774926 498550865 /nfs/dbraw/zinc/55/08/65/498550865.db2.gz NFILFPOZMYJYRW-UHFFFAOYSA-N -1 3 368.477 3.032 20 10 FGCDHM COc1c([O-])c(CNc2cccc(-c3nccn3C)c2)ccc1[N+](=O)[O-] ZINC000365795247 498644886 /nfs/dbraw/zinc/64/48/86/498644886.db2.gz MIWBZCRCFAUYAG-UHFFFAOYSA-N -1 3 354.366 3.322 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cc(C=O)[nH]c1C ZINC000283373415 498866186 /nfs/dbraw/zinc/86/61/86/498866186.db2.gz JQQDSNYMBHGZLE-UHFFFAOYSA-N -1 3 365.227 3.266 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c1[O-] ZINC000295498043 499034894 /nfs/dbraw/zinc/03/48/94/499034894.db2.gz HEGVVQZDXMSMCT-UONOGXRCSA-N -1 3 372.852 3.029 20 10 FGCDHM Cn1cc(-c2ncc(CNCc3cc(Cl)cc(Cl)c3[O-])cn2)cn1 ZINC000368132198 499267775 /nfs/dbraw/zinc/26/77/75/499267775.db2.gz PZUBAUVBUTUSGW-UHFFFAOYSA-N -1 3 364.236 3.179 20 10 FGCDHM CCc1nccc([C@H]2CCCN(Cc3ccc([N+](=O)[O-])c(OC)c3[O-])C2)n1 ZINC000372950960 499444503 /nfs/dbraw/zinc/44/45/03/499444503.db2.gz PMIVWZONHFOGKM-ZDUSSCGKSA-N -1 3 372.425 3.041 20 10 FGCDHM CC[C@@H](c1ccccc1[O-])N1CCOC[C@@H]1c1ncn(CC(F)(F)F)n1 ZINC000377667098 499717415 /nfs/dbraw/zinc/71/74/15/499717415.db2.gz AEEKGCVHKIMEEF-UONOGXRCSA-N -1 3 370.375 3.071 20 10 FGCDHM CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000378007545 499754787 /nfs/dbraw/zinc/75/47/87/499754787.db2.gz QEGPYYQBTJFSGE-ROUUACIJSA-N -1 3 362.445 3.099 20 10 FGCDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000473279623 502557976 /nfs/dbraw/zinc/55/79/76/502557976.db2.gz GRFSRJYCLXFHNG-UHFFFAOYSA-N -1 3 351.406 3.081 20 10 FGCDHM CC(C)[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCN1Cc1ccccc1 ZINC000529805538 503709951 /nfs/dbraw/zinc/70/99/51/503709951.db2.gz USCKLBQGWVQREQ-GOSISDBHSA-N -1 3 354.450 3.080 20 10 FGCDHM Cc1cc(C(=O)NC[C@@H](C)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235396 598848537 /nfs/dbraw/zinc/84/85/37/598848537.db2.gz UQDMTXXYNIEXPD-CYBMUJFWSA-N -1 3 366.469 3.296 20 10 FGCDHM CN(C)c1ccc(CNc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000736778133 599361909 /nfs/dbraw/zinc/36/19/09/599361909.db2.gz BCXDSBOCVOXQCJ-UHFFFAOYSA-N -1 3 373.258 3.307 20 10 FGCDHM CN(C)c1ccc(CNc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000736778133 599361912 /nfs/dbraw/zinc/36/19/12/599361912.db2.gz BCXDSBOCVOXQCJ-UHFFFAOYSA-N -1 3 373.258 3.307 20 10 FGCDHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(N2CCCC2)cc1 ZINC000826184630 608153650 /nfs/dbraw/zinc/15/36/50/608153650.db2.gz FBVIBBSTMJAEGC-UHFFFAOYSA-N -1 3 351.410 3.055 20 10 FGCDHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(N2CCCC2)cc1 ZINC000826184630 608153651 /nfs/dbraw/zinc/15/36/51/608153651.db2.gz FBVIBBSTMJAEGC-UHFFFAOYSA-N -1 3 351.410 3.055 20 10 FGCDHM CCN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367401 608344760 /nfs/dbraw/zinc/34/47/60/608344760.db2.gz PAZVLUXJBWVBJO-UTCJRWHESA-N -1 3 372.791 3.121 20 10 FGCDHM CCN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367401 608344763 /nfs/dbraw/zinc/34/47/63/608344763.db2.gz PAZVLUXJBWVBJO-UTCJRWHESA-N -1 3 372.791 3.121 20 10 FGCDHM CC(C)C[C@@H]1CCCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000091731493 700424526 /nfs/dbraw/zinc/42/45/26/700424526.db2.gz PPHUWFJEMMXWEN-HNNXBMFYSA-N -1 3 368.499 3.195 20 10 FGCDHM COc1ccccc1CN(CCO)Cc1cccc(Br)c1[O-] ZINC000091790524 700425804 /nfs/dbraw/zinc/42/58/04/700425804.db2.gz BBZSQCYISHVPQW-UHFFFAOYSA-N -1 3 366.255 3.158 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(N)=O)c3ccccc32)c1[O-] ZINC000134213306 704815530 /nfs/dbraw/zinc/81/55/30/704815530.db2.gz MZJOQCWCRPLMLQ-HNNXBMFYSA-N -1 3 358.825 3.227 20 10 FGCDHM CCC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000180366567 705737144 /nfs/dbraw/zinc/73/71/44/705737144.db2.gz DVKNVEJUWCRKEO-INIZCTEOSA-N -1 3 362.451 3.035 20 10 FGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(c2nnc3n2CCC3)CC1 ZINC000775654436 724016608 /nfs/dbraw/zinc/01/66/08/724016608.db2.gz KRSQOLZTMZMRSE-UHFFFAOYSA-N -1 3 350.825 3.102 20 10 FGCDHM COC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])CC2 ZINC000750047477 722752630 /nfs/dbraw/zinc/75/26/30/722752630.db2.gz QVXUFCUUJIHLAZ-HNNXBMFYSA-N -1 3 351.830 3.023 20 10 FGCDHM CSC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000789816901 723075984 /nfs/dbraw/zinc/07/59/84/723075984.db2.gz RAHIUBWBEPFCRG-AWEZNQCLSA-N -1 3 354.903 3.022 20 10 FGCDHM COc1c([O-])c(CN2CCOc3c(Cl)cccc32)ccc1[N+](=O)[O-] ZINC000775105764 723961138 /nfs/dbraw/zinc/96/11/38/723961138.db2.gz CWUDNXZCPXLWCZ-UHFFFAOYSA-N -1 3 350.758 3.361 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000775148219 723964133 /nfs/dbraw/zinc/96/41/33/723964133.db2.gz ZJKDVTIVNQCAOO-MFKMUULPSA-N -1 3 368.193 3.290 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCN(CC(F)(F)F)CC2(C)C)c1[O-] ZINC000775564159 724001102 /nfs/dbraw/zinc/00/11/02/724001102.db2.gz LZZKAIBWVHBUEX-UHFFFAOYSA-N -1 3 362.367 3.192 20 10 FGCDHM O=C(N[C@@H]1CSc2ccc(Br)cc21)c1cccc(O)c1[O-] ZINC000787717817 725036197 /nfs/dbraw/zinc/03/61/97/725036197.db2.gz RRSHSLFDRDKCNJ-LLVKDONJSA-N -1 3 366.236 3.437 20 10 FGCDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000824616979 729351395 /nfs/dbraw/zinc/35/13/95/729351395.db2.gz ALBHOXPFXQZKJA-ZDUSSCGKSA-N -1 3 371.275 3.254 20 10 FGCDHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NCc2cc(F)ccc2[O-])C1 ZINC000824871193 729363046 /nfs/dbraw/zinc/36/30/46/729363046.db2.gz CNBIZXYSWSXLRJ-AWEZNQCLSA-N -1 3 360.376 3.266 20 10 FGCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000824870097 729363065 /nfs/dbraw/zinc/36/30/65/729363065.db2.gz NKKICRMREVPQNF-PELKAZGASA-N -1 3 354.166 3.306 20 10 FGCDHM Cc1cc([O-])c(CN2CCS(=O)(=O)C3(CCCCC3)C2)cc1Cl ZINC000824920413 729364970 /nfs/dbraw/zinc/36/49/70/729364970.db2.gz NAMWCZIUQXDTCR-UHFFFAOYSA-N -1 3 357.903 3.287 20 10 FGCDHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000825294754 729377374 /nfs/dbraw/zinc/37/73/74/729377374.db2.gz XVPFVCSMMHUWHZ-SWLSCSKDSA-N -1 3 352.862 3.487 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000834548357 729812597 /nfs/dbraw/zinc/81/25/97/729812597.db2.gz RPPIFOLTBXCXRO-UHFFFAOYSA-N -1 3 358.463 3.138 20 10 FGCDHM Cc1cc([O-])c(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(Cl)c1 ZINC000840942580 730194705 /nfs/dbraw/zinc/19/47/05/730194705.db2.gz HXMHXSVHJHEZSN-UHFFFAOYSA-N -1 3 364.795 3.245 20 10 FGCDHM CCN(Cc1cc2n(n1)CCC2)Cc1cc(Br)ccc1[O-] ZINC000844300676 730700058 /nfs/dbraw/zinc/70/00/58/730700058.db2.gz MEUGRPOKMQJRQS-UHFFFAOYSA-N -1 3 350.260 3.320 20 10 FGCDHM CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NCc1cc(Cl)ccc1[O-] ZINC000848576037 731184605 /nfs/dbraw/zinc/18/46/05/731184605.db2.gz GBETVGZOUWFIHF-INIZCTEOSA-N -1 3 362.857 3.483 20 10 FGCDHM CCCCC[C@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000856270794 732001957 /nfs/dbraw/zinc/00/19/57/732001957.db2.gz TXICHAOSQUSAEZ-HNNXBMFYSA-N -1 3 368.499 3.339 20 10 FGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1ncccc1Cl ZINC000859189932 732287711 /nfs/dbraw/zinc/28/77/11/732287711.db2.gz YPWHNNQAAUEQKC-UHFFFAOYSA-N -1 3 355.221 3.269 20 10 FGCDHM [O-]c1cccc(Br)c1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000862246556 732797292 /nfs/dbraw/zinc/79/72/92/732797292.db2.gz QMOVAOAUDGZDMP-KRWDZBQOSA-N -1 3 364.239 3.434 20 10 FGCDHM O=C(C1CCN(Cc2c([O-])cccc2Br)CC1)C(F)(F)F ZINC000862332316 732810818 /nfs/dbraw/zinc/81/08/18/732810818.db2.gz SPAZDQPIDJTHOT-UHFFFAOYSA-N -1 3 366.177 3.498 20 10 FGCDHM [O-]c1cccc(Br)c1CN1CCC[C@@H](CO)[C@H]1C(F)(F)F ZINC000862399249 732825031 /nfs/dbraw/zinc/82/50/31/732825031.db2.gz XUBNZSNUDJCOFC-ZANVPECISA-N -1 3 368.193 3.290 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ncc(Br)s2)c1 ZINC000866620417 733374806 /nfs/dbraw/zinc/37/48/06/733374806.db2.gz MHAIFRRDTMLWHA-QMMMGPOBSA-N -1 3 371.256 3.249 20 10 FGCDHM CC(C)[C@H](NCc1cc(Cl)cc(Br)c1[O-])c1nncn1C ZINC000883117363 737525801 /nfs/dbraw/zinc/52/58/01/737525801.db2.gz XMXWFMVAGPJKBI-LBPRGKRZSA-N -1 3 373.682 3.424 20 10 FGCDHM C[C@@H](Nc1ccc(OCCS(C)(=O)=O)cc1)c1c([O-])cccc1F ZINC000886636869 739277806 /nfs/dbraw/zinc/27/78/06/739277806.db2.gz XIGSCSMRRDPSDE-GFCCVEGCSA-N -1 3 353.415 3.128 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000895837940 742460346 /nfs/dbraw/zinc/46/03/46/742460346.db2.gz YQLSDAKKUCNHGE-CYBMUJFWSA-N -1 3 368.193 3.210 20 10 FGCDHM Cc1nc(CC(F)(F)F)sc1CC(=O)NCc1c([O-])cccc1F ZINC000928711871 760243186 /nfs/dbraw/zinc/24/31/86/760243186.db2.gz VIKIQPBDODNXAF-UHFFFAOYSA-N -1 3 362.348 3.260 20 10 FGCDHM [O-]c1ccccc1CN(Cc1nccn1CC(F)(F)F)C[C@H]1CCCO1 ZINC000112600427 495211078 /nfs/dbraw/zinc/21/10/78/495211078.db2.gz ILOWZNYPABXQTB-OAHLLOKOSA-N -1 3 369.387 3.332 20 10 FGCDHM CCCOc1ccc(CNCc2nc3cc(OC)ccc3n2C)c([O-])c1 ZINC000185833885 495743256 /nfs/dbraw/zinc/74/32/56/495743256.db2.gz YRGSQKPTBGYWMZ-UHFFFAOYSA-N -1 3 355.438 3.366 20 10 FGCDHM COc1ccccc1[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccn1 ZINC000187211570 496341431 /nfs/dbraw/zinc/34/14/31/496341431.db2.gz FHTFFKWXEWSFGM-SFHVURJKSA-N -1 3 350.374 3.021 20 10 FGCDHM COc1cc(Cl)cc(CN2CCC(NC(=O)c3ccccc3)CC2)c1[O-] ZINC000184676559 496488634 /nfs/dbraw/zinc/48/86/34/496488634.db2.gz DTWFZIOZAZVVIR-UHFFFAOYSA-N -1 3 374.868 3.449 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cc1cc(C)on1 ZINC000178720584 496551203 /nfs/dbraw/zinc/55/12/03/496551203.db2.gz ZLEIYBDOKCAAKY-UHFFFAOYSA-N -1 3 353.216 3.042 20 10 FGCDHM CN(C)Cc1ccsc1C(=O)NCc1cccc(Br)c1[O-] ZINC000277458196 496780298 /nfs/dbraw/zinc/78/02/98/496780298.db2.gz GUHZLHRXMMFDDZ-UHFFFAOYSA-N -1 3 369.284 3.208 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(N3CCCC3)nc2)c1 ZINC000273446128 496808233 /nfs/dbraw/zinc/80/82/33/496808233.db2.gz ZZMLVNMEHBLMOL-AWEZNQCLSA-N -1 3 355.438 3.025 20 10 FGCDHM C[C@@H](NCc1cccnc1OCC(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273480085 496818609 /nfs/dbraw/zinc/81/86/09/496818609.db2.gz LVQDFSPTSQONKS-SNVBAGLBSA-N -1 3 353.325 3.190 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2csc([C@H](C)OC)n2)c1 ZINC000273568822 496842733 /nfs/dbraw/zinc/84/27/33/496842733.db2.gz KGPYFMZFHOUMFY-QWRGUYRKSA-N -1 3 350.440 3.194 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000277805568 496894519 /nfs/dbraw/zinc/89/45/19/496894519.db2.gz VXTAASAKOIXPET-SMDDNHRTSA-N -1 3 371.275 3.111 20 10 FGCDHM COc1c([O-])c(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000278492234 497133100 /nfs/dbraw/zinc/13/31/00/497133100.db2.gz LPHXLJDWFVJRGX-NSHDSACASA-N -1 3 361.354 3.376 20 10 FGCDHM C[C@@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278807996 497227474 /nfs/dbraw/zinc/22/74/74/497227474.db2.gz RTTVCTFWPHZDRA-SECBINFHSA-N -1 3 369.252 3.347 20 10 FGCDHM CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000275110714 497237875 /nfs/dbraw/zinc/23/78/75/497237875.db2.gz KMWLDSIGAFYLTI-ZDUSSCGKSA-N -1 3 371.437 3.463 20 10 FGCDHM CCCn1ncnc1CN(CC)Cc1cc(Br)ccc1[O-] ZINC000279399899 497428171 /nfs/dbraw/zinc/42/81/71/497428171.db2.gz IMIPHLGQZDDHFB-UHFFFAOYSA-N -1 3 353.264 3.178 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000266858679 497432797 /nfs/dbraw/zinc/43/27/97/497432797.db2.gz YOWBQEIMUFPWSZ-RYUDHWBXSA-N -1 3 371.275 3.111 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000279894086 497579694 /nfs/dbraw/zinc/57/96/94/497579694.db2.gz SXTZIACLKNFMIG-CQSZACIVSA-N -1 3 370.453 3.283 20 10 FGCDHM COC(=O)[C@@H](NCc1cc(Cl)cc(C)c1[O-])c1ccc(OC)c(O)c1 ZINC000276757740 497645428 /nfs/dbraw/zinc/64/54/28/497645428.db2.gz MFLNVLFHNJQYDL-INIZCTEOSA-N -1 3 365.813 3.072 20 10 FGCDHM COc1c([O-])c(CN[C@H](c2cccs2)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000295960278 497869089 /nfs/dbraw/zinc/86/90/89/497869089.db2.gz IDCKXFFVJJUZAG-MRXNPFEDSA-N -1 3 366.439 3.220 20 10 FGCDHM CC[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000286005593 498264674 /nfs/dbraw/zinc/26/46/74/498264674.db2.gz IWYKMFLAABRSNR-QGZVFWFLSA-N -1 3 351.443 3.187 20 10 FGCDHM COCCN(Cc1ccccn1)Cc1cc(Br)ccc1[O-] ZINC000289773474 498287563 /nfs/dbraw/zinc/28/75/63/498287563.db2.gz KROKEYQDPKKTCU-UHFFFAOYSA-N -1 3 351.244 3.198 20 10 FGCDHM CC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(F)cc1O ZINC000286318441 498361251 /nfs/dbraw/zinc/36/12/51/498361251.db2.gz XUCKUDFAXCAUFL-CQSZACIVSA-N -1 3 368.430 3.475 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1nc(C)oc1C ZINC000293384105 498365649 /nfs/dbraw/zinc/36/56/49/498365649.db2.gz MXYWXZGZHPUECA-UHFFFAOYSA-N -1 3 353.216 3.422 20 10 FGCDHM Cn1ccnc1[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000365820899 498655903 /nfs/dbraw/zinc/65/59/03/498655903.db2.gz OQMHWEMHGFPQKD-NSHDSACASA-N -1 3 350.806 3.067 20 10 FGCDHM O=C(CC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1)N1CCCC1 ZINC000295376720 498997238 /nfs/dbraw/zinc/99/72/38/498997238.db2.gz OSYIRXRMKSOCLU-UHFFFAOYSA-N -1 3 354.853 3.409 20 10 FGCDHM Cc1ccc([C@@H](C)NCc2nnc3n2C[C@H](C(F)(F)F)CC3)c([O-])c1 ZINC000369901969 499148417 /nfs/dbraw/zinc/14/84/17/499148417.db2.gz JDCZEOPBWOSEJS-VXGBXAGGSA-N -1 3 354.376 3.268 20 10 FGCDHM COc1c([O-])c(CN2CCC(OCC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000369332300 499392092 /nfs/dbraw/zinc/39/20/92/499392092.db2.gz UPEHBCSAQVNVPD-UHFFFAOYSA-N -1 3 364.442 3.480 20 10 FGCDHM Cc1ccc(C(=O)N2CCC[C@@H](Cn3cnc4ccccc43)C2)c([O-])c1O ZINC000373740503 499485836 /nfs/dbraw/zinc/48/58/36/499485836.db2.gz DODRSYCLFXGADB-OAHLLOKOSA-N -1 3 365.433 3.308 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)c1[O-] ZINC000375439898 499519198 /nfs/dbraw/zinc/51/91/98/499519198.db2.gz UMEKWWKQJPZDGP-GFCCVEGCSA-N -1 3 361.829 3.498 20 10 FGCDHM COc1cc(Cl)cc(CN2CC[C@@H](OCc3c(C)noc3C)C2)c1[O-] ZINC000377680323 499719201 /nfs/dbraw/zinc/71/92/01/499719201.db2.gz UWPULVGATVUKMV-OAHLLOKOSA-N -1 3 366.845 3.450 20 10 FGCDHM O=C(Nc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1)C1=S=CC=C1 ZINC000436767165 501207695 /nfs/dbraw/zinc/20/76/95/501207695.db2.gz FVAHVEKHXBEGIQ-UHFFFAOYSA-N -1 3 363.398 3.325 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CC3(CCOCC3)CC[C@@H]2CO)c1[O-] ZINC000528639975 504305795 /nfs/dbraw/zinc/30/57/95/504305795.db2.gz MSQJXULLECJLKM-MRXNPFEDSA-N -1 3 367.873 3.002 20 10 FGCDHM [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738397254 598275364 /nfs/dbraw/zinc/27/53/64/598275364.db2.gz OVGBFXYLNUCIPC-UHFFFAOYSA-N -1 3 350.209 3.169 20 10 FGCDHM [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738397254 598275366 /nfs/dbraw/zinc/27/53/66/598275366.db2.gz OVGBFXYLNUCIPC-UHFFFAOYSA-N -1 3 350.209 3.169 20 10 FGCDHM Cc1cc(C(=O)NCCC(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233527 598610580 /nfs/dbraw/zinc/61/05/80/598610580.db2.gz FWNPHXNSSYNVCN-UHFFFAOYSA-N -1 3 366.469 3.440 20 10 FGCDHM CN(C)c1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1F ZINC000736781404 599420102 /nfs/dbraw/zinc/42/01/02/599420102.db2.gz ZKONGTLSGQGUDF-UHFFFAOYSA-N -1 3 363.400 3.232 20 10 FGCDHM CN(C)c1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1F ZINC000736781404 599420103 /nfs/dbraw/zinc/42/01/03/599420103.db2.gz ZKONGTLSGQGUDF-UHFFFAOYSA-N -1 3 363.400 3.232 20 10 FGCDHM Cc1cc(N(C)C)ccc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737269264 599439010 /nfs/dbraw/zinc/43/90/10/599439010.db2.gz AWWKKAURBTWEHU-UHFFFAOYSA-N -1 3 359.437 3.401 20 10 FGCDHM Cc1cc(N(C)C)ccc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737269264 599439012 /nfs/dbraw/zinc/43/90/12/599439012.db2.gz AWWKKAURBTWEHU-UHFFFAOYSA-N -1 3 359.437 3.401 20 10 FGCDHM Cc1nn(C)c(C)c1CN(C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000738909977 600426074 /nfs/dbraw/zinc/42/60/74/600426074.db2.gz HJQPDCQDYPOTQP-UHFFFAOYSA-N -1 3 353.422 3.226 20 10 FGCDHM CC1CCC(N2CCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC000736770070 600625283 /nfs/dbraw/zinc/62/52/83/600625283.db2.gz YRNLPKNXYCRNFY-WEVVVXLNSA-N -1 3 373.453 3.393 20 10 FGCDHM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000827718762 600742982 /nfs/dbraw/zinc/74/29/82/600742982.db2.gz XQGFRMFMRNJVGC-KUHUBIRLSA-N -1 3 358.413 3.139 20 10 FGCDHM c1csc(SCCCNc2nc3ccccc3cc2-c2nnn[n-]2)n1 ZINC000826524357 607522011 /nfs/dbraw/zinc/52/20/11/607522011.db2.gz RZVJYAHWAYVVBL-UHFFFAOYSA-N -1 3 369.479 3.466 20 10 FGCDHM c1csc(SCCCNc2nc3ccccc3cc2-c2nn[n-]n2)n1 ZINC000826524357 607522012 /nfs/dbraw/zinc/52/20/12/607522012.db2.gz RZVJYAHWAYVVBL-UHFFFAOYSA-N -1 3 369.479 3.466 20 10 FGCDHM O=C([O-])[C@H]1CC12CCN(Cc1ccc(N3CCCCC3)c([N+](=O)[O-])c1)CC2 ZINC000833771877 604648247 /nfs/dbraw/zinc/64/82/47/604648247.db2.gz SRKJFJRAEJJPIO-MRXNPFEDSA-N -1 3 373.453 3.272 20 10 FGCDHM Cc1cc(Br)cc(CN2CC[C@H](NC(=O)[O-])C[C@@H]2C)c1O ZINC000833897385 605996304 /nfs/dbraw/zinc/99/63/04/605996304.db2.gz JRIASVAXYZPQOK-GWCFXTLKSA-N -1 3 357.248 3.084 20 10 FGCDHM CCN(Cc1cc(F)ccc1-c1nnn[n-]1)c1ccc(OC)c(OC)c1 ZINC000821222463 607060450 /nfs/dbraw/zinc/06/04/50/607060450.db2.gz TYIRVCMAALZOIZ-UHFFFAOYSA-N -1 3 357.389 3.050 20 10 FGCDHM CCN(Cc1cc(F)ccc1-c1nn[n-]n1)c1ccc(OC)c(OC)c1 ZINC000821222463 607060452 /nfs/dbraw/zinc/06/04/52/607060452.db2.gz TYIRVCMAALZOIZ-UHFFFAOYSA-N -1 3 357.389 3.050 20 10 FGCDHM CCN(Cc1nsc(N(C)C)n1)Cc1cc(Br)ccc1[O-] ZINC000154169936 705024053 /nfs/dbraw/zinc/02/40/53/705024053.db2.gz WBGGGFBUWDSJGQ-UHFFFAOYSA-N -1 3 371.304 3.094 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)N3CCCC3)CC2)c1[O-] ZINC000176997009 705599986 /nfs/dbraw/zinc/59/99/86/705599986.db2.gz RXGBJSQANOHURL-UHFFFAOYSA-N -1 3 364.873 3.083 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](CC(=O)OC(C)C)C2)c1[O-] ZINC000184481927 712672401 /nfs/dbraw/zinc/67/24/01/712672401.db2.gz CRQHZADRVPIVNZ-AWEZNQCLSA-N -1 3 351.418 3.288 20 10 FGCDHM CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(C)cc(Br)c3[O-])[C@@H]2C1 ZINC000781913170 724611872 /nfs/dbraw/zinc/61/18/72/724611872.db2.gz ZWQRHYSSXGNPKK-BMFZPTHFSA-N -1 3 370.287 3.231 20 10 FGCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCCCS1 ZINC000783587091 724768820 /nfs/dbraw/zinc/76/88/20/724768820.db2.gz BFXSFIHTHFNTDR-DOTOQJQBSA-N -1 3 368.930 3.412 20 10 FGCDHM C[C@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756711147 722968940 /nfs/dbraw/zinc/96/89/40/722968940.db2.gz IRIPEAUXIBDRRW-BONVTDFDSA-N -1 3 350.340 3.266 20 10 FGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc(-c2ccc(Cl)cc2)no1 ZINC000790809924 723180367 /nfs/dbraw/zinc/18/03/67/723180367.db2.gz CJADYBBWMOASFK-SECBINFHSA-N -1 3 359.769 3.292 20 10 FGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)c1c(Cl)cccc1Cl ZINC000790919554 723193120 /nfs/dbraw/zinc/19/31/20/723193120.db2.gz QDOMAOLTIBXFMA-XLKFXECMSA-N -1 3 356.205 3.257 20 10 FGCDHM COC(=O)C1(N(C)Cc2cccc(Br)c2[O-])CCCCC1 ZINC000769401525 723684492 /nfs/dbraw/zinc/68/44/92/723684492.db2.gz LQTDDUVUCZVRSE-UHFFFAOYSA-N -1 3 356.260 3.462 20 10 FGCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000769498281 723687498 /nfs/dbraw/zinc/68/74/98/723687498.db2.gz SZMLPGVBPFRWEU-PELKAZGASA-N -1 3 354.166 3.306 20 10 FGCDHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769673429 723691856 /nfs/dbraw/zinc/69/18/56/723691856.db2.gz XHROIXZTJZPCEL-CABCVRRESA-N -1 3 368.499 3.098 20 10 FGCDHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769751237 723693990 /nfs/dbraw/zinc/69/39/90/723693990.db2.gz FUYFBPRWMZPGHS-CZUORRHYSA-N -1 3 368.499 3.098 20 10 FGCDHM COc1cc(NC(=O)CN(C)Cc2c([O-])cccc2Cl)cc(OC)c1 ZINC000770281079 723710180 /nfs/dbraw/zinc/71/01/80/723710180.db2.gz OIAGOQBZEMGGJJ-UHFFFAOYSA-N -1 3 364.829 3.133 20 10 FGCDHM C[C@@H]1CN(C[C@H]2CCCN2Cc2cc(Cl)cc(F)c2[O-])C[C@H](C)O1 ZINC000775660697 724018639 /nfs/dbraw/zinc/01/86/39/724018639.db2.gz GWBDGTNRMRZTJI-DVOMOZLQSA-N -1 3 356.869 3.258 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000777440121 724225876 /nfs/dbraw/zinc/22/58/76/724225876.db2.gz UPEFHWSWVJENPP-KRWDZBQOSA-N -1 3 366.776 3.186 20 10 FGCDHM Cc1ccc(NCc2c([O-])cccc2Cl)cc1C(=O)N1CCOCC1 ZINC000785540343 724920399 /nfs/dbraw/zinc/92/03/99/724920399.db2.gz WSGVXEUYQPQQCS-UHFFFAOYSA-N -1 3 360.841 3.439 20 10 FGCDHM COC(=O)[C@]1(C(F)(F)F)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000809697116 725259829 /nfs/dbraw/zinc/25/98/29/725259829.db2.gz WMSGHXRQPVDHEY-ZDUSSCGKSA-N -1 3 355.715 3.112 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697339 725260095 /nfs/dbraw/zinc/26/00/95/725260095.db2.gz FDASZJBPMYZLOY-MNOVXSKESA-N -1 3 368.193 3.147 20 10 FGCDHM C[C@@H](Nc1ccc(OCC(N)=O)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815602232 727086087 /nfs/dbraw/zinc/08/60/87/727086087.db2.gz SNWROOLZDNIKIU-SNVBAGLBSA-N -1 3 354.328 3.448 20 10 FGCDHM Cc1cc([O-])c(CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1Cl ZINC000825548151 729387363 /nfs/dbraw/zinc/38/73/63/729387363.db2.gz CTLILVJBZGKKRE-AWEZNQCLSA-N -1 3 370.877 3.080 20 10 FGCDHM Cc1ccc(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000826291888 729406949 /nfs/dbraw/zinc/40/69/49/729406949.db2.gz ZUKPELLCZKFLEC-UHFFFAOYSA-N -1 3 373.873 3.450 20 10 FGCDHM Cc1ccc(NC(=S)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C ZINC000826291888 729406950 /nfs/dbraw/zinc/40/69/50/729406950.db2.gz ZUKPELLCZKFLEC-UHFFFAOYSA-N -1 3 373.873 3.450 20 10 FGCDHM COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cccc(Cl)c2[O-])C1 ZINC000826894778 729418165 /nfs/dbraw/zinc/41/81/65/729418165.db2.gz WONVXQKZZZABGA-MNOVXSKESA-N -1 3 351.752 3.219 20 10 FGCDHM C[C@H](NCc1nnc(C2CC2)[nH]1)c1cc(Br)cc(F)c1[O-] ZINC000834869371 729839764 /nfs/dbraw/zinc/83/97/64/729839764.db2.gz AGDLZSUSMHNESS-ZETCQYMHSA-N -1 3 355.211 3.140 20 10 FGCDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2COC)c(C)c1 ZINC000840914922 730190846 /nfs/dbraw/zinc/19/08/46/730190846.db2.gz ITLHNEDWFFWTLK-UHFFFAOYSA-N -1 3 351.424 3.047 20 10 FGCDHM Cc1cc([O-])c(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)c(Cl)c1 ZINC000840920976 730191831 /nfs/dbraw/zinc/19/18/31/730191831.db2.gz LLJJGQJYCLJBCD-GUYCJALGSA-N -1 3 351.830 3.272 20 10 FGCDHM C[C@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1ccc(Cl)cc1[O-] ZINC000841755284 730270973 /nfs/dbraw/zinc/27/09/73/730270973.db2.gz YTWXTSCSTCYUIR-LBPRGKRZSA-N -1 3 362.861 3.474 20 10 FGCDHM Cc1cc([O-])c(CN[C@@H]2CS(=O)(=O)Cc3ccccc32)cc1Cl ZINC000857058946 732098680 /nfs/dbraw/zinc/09/86/80/732098680.db2.gz VTANFNUDKYNJAU-MRXNPFEDSA-N -1 3 351.855 3.113 20 10 FGCDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@H]2CCC[C@@H]21 ZINC000859951076 732421845 /nfs/dbraw/zinc/42/18/45/732421845.db2.gz JIYPGYZJDAPWEA-INMHGKMJSA-N -1 3 365.857 3.412 20 10 FGCDHM C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1c([O-])cccc1Br ZINC000862363719 732815590 /nfs/dbraw/zinc/81/55/90/732815590.db2.gz SFTWRFVFRQKKCN-UFBFGSQYSA-N -1 3 354.166 3.306 20 10 FGCDHM N=C1Nc2nc3ccccc3n2[C@H](c2ccc(Br)cc2[O-])N1 ZINC000877843330 736734762 /nfs/dbraw/zinc/73/47/62/736734762.db2.gz PLPZIBXFGJOYEQ-CYBMUJFWSA-N -1 3 358.199 3.001 20 10 FGCDHM CN(C)[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1cccs1 ZINC000891509652 739909175 /nfs/dbraw/zinc/90/91/75/739909175.db2.gz SVZNGQFZMDNBCZ-CYBMUJFWSA-N -1 3 353.875 3.209 20 10 FGCDHM O=C(NC1CCN(Cc2cc(F)cc(F)c2[O-])CC1)C1CCCCC1 ZINC000893981669 742222587 /nfs/dbraw/zinc/22/25/87/742222587.db2.gz WUUJXYNQFOSYGS-UHFFFAOYSA-N -1 3 352.425 3.331 20 10 FGCDHM COc1ccc([C@H]2CCCN2C(=O)CN(C)Cc2ccccc2[O-])cc1 ZINC000111236364 495052498 /nfs/dbraw/zinc/05/24/98/495052498.db2.gz BEYJMUJSCRKJLL-LJQANCHMSA-N -1 3 354.450 3.196 20 10 FGCDHM CCO[C@@H](C)c1nc(CN2CCN(Cc3ccccc3[O-])CC2)cs1 ZINC000179581370 495648789 /nfs/dbraw/zinc/64/87/89/495648789.db2.gz ONCGNJNIZFVKOD-HNNXBMFYSA-N -1 3 361.511 3.264 20 10 FGCDHM CC[C@@H](CO)NC(=O)Cc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000150893687 495670959 /nfs/dbraw/zinc/67/09/59/495670959.db2.gz BDDDHOQRMCPJSL-AWEZNQCLSA-N -1 3 362.857 3.087 20 10 FGCDHM COc1ccc(N[C@H](C)c2ccc(N(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000182732079 495680203 /nfs/dbraw/zinc/68/02/03/495680203.db2.gz OKCXCSPQYOQKJP-CYBMUJFWSA-N -1 3 363.483 3.306 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)c1[O-] ZINC000177274285 496002847 /nfs/dbraw/zinc/00/28/47/496002847.db2.gz WKIDQMIAYUWULK-AWEZNQCLSA-N -1 3 366.889 3.232 20 10 FGCDHM C[C@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000187669451 496528423 /nfs/dbraw/zinc/52/84/23/496528423.db2.gz CMZGIOSNYOPRGN-QWRGUYRKSA-N -1 3 355.406 3.486 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnn(CC)c1 ZINC000175847767 496570881 /nfs/dbraw/zinc/57/08/81/496570881.db2.gz PYBYJXKIIKTHRE-UHFFFAOYSA-N -1 3 352.232 3.033 20 10 FGCDHM O=C(CCc1ccccn1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158123538 496633269 /nfs/dbraw/zinc/63/32/69/496633269.db2.gz CGNPQTVRQCVSMY-GOSISDBHSA-N -1 3 373.884 3.154 20 10 FGCDHM C[C@H](NCc1ccc(CN2CCCC2=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273407647 496797426 /nfs/dbraw/zinc/79/74/26/496797426.db2.gz OWUYHCDPCSZSMY-AWEZNQCLSA-N -1 3 369.421 3.274 20 10 FGCDHM COc1c([O-])c(CN(C)C[C@H]2OCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278139932 497018167 /nfs/dbraw/zinc/01/81/67/497018167.db2.gz AQXAALYTQKIDHC-QGZVFWFLSA-N -1 3 358.394 3.055 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@](C)(O)C1CC1 ZINC000270023428 497043272 /nfs/dbraw/zinc/04/32/72/497043272.db2.gz AYVHBLQAAJGJTK-INIZCTEOSA-N -1 3 356.260 3.054 20 10 FGCDHM COc1cccc(Cl)c1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278392161 497099220 /nfs/dbraw/zinc/09/92/20/497099220.db2.gz NAJIAXOGJKBVFT-UHFFFAOYSA-N -1 3 352.774 3.261 20 10 FGCDHM COC(=O)C(C)(C)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278522427 497142093 /nfs/dbraw/zinc/14/20/93/497142093.db2.gz SHYPPBACFHQGGN-UHFFFAOYSA-N -1 3 374.393 3.372 20 10 FGCDHM C[C@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278808001 497227244 /nfs/dbraw/zinc/22/72/44/497227244.db2.gz RTTVCTFWPHZDRA-VIFPVBQESA-N -1 3 369.252 3.347 20 10 FGCDHM COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc(OC)c1[O-] ZINC000271067231 497257273 /nfs/dbraw/zinc/25/72/73/497257273.db2.gz WNMKIUOBUWUBRC-UHFFFAOYSA-N -1 3 370.449 3.280 20 10 FGCDHM CCCNC(=O)c1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278944554 497276078 /nfs/dbraw/zinc/27/60/78/497276078.db2.gz YIVCAIBFOARZIV-UHFFFAOYSA-N -1 3 359.382 3.061 20 10 FGCDHM COc1c([O-])c(CN2CC[C@@H](n3ncc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000365123309 498307787 /nfs/dbraw/zinc/30/77/87/498307787.db2.gz UTLCDNZQAAQITJ-OAHLLOKOSA-N -1 3 368.393 3.106 20 10 FGCDHM CCCc1csc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)n1 ZINC000286398040 498385041 /nfs/dbraw/zinc/38/50/41/498385041.db2.gz LABFYJAGUBXJBN-UHFFFAOYSA-N -1 3 365.842 3.423 20 10 FGCDHM CC[C@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc(F)cc1[O-] ZINC000286958604 498568047 /nfs/dbraw/zinc/56/80/47/498568047.db2.gz BVYZOLNDXBRXCJ-INIZCTEOSA-N -1 3 370.432 3.267 20 10 FGCDHM Cc1c(N[C@H](C)c2ccc(F)cc2[O-])cccc1N1C(=O)CCNC1=O ZINC000282742884 498634190 /nfs/dbraw/zinc/63/41/90/498634190.db2.gz NHCAEVCEJPFYJD-GFCCVEGCSA-N -1 3 357.385 3.459 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000365790098 498641546 /nfs/dbraw/zinc/64/15/46/498641546.db2.gz NPNMMSHMDYHDPH-HNNXBMFYSA-N -1 3 351.761 3.104 20 10 FGCDHM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000291669181 499029904 /nfs/dbraw/zinc/02/99/04/499029904.db2.gz GBONBSHXSQRJPB-STQMWFEESA-N -1 3 368.499 3.051 20 10 FGCDHM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000291669175 499030570 /nfs/dbraw/zinc/03/05/70/499030570.db2.gz GBONBSHXSQRJPB-OLZOCXBDSA-N -1 3 368.499 3.051 20 10 FGCDHM COc1ccc([C@@H](CN(C)C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000284498902 499116816 /nfs/dbraw/zinc/11/68/16/499116816.db2.gz XMRLUZIYCVWMMI-SCLBCKFNSA-N -1 3 359.426 3.263 20 10 FGCDHM C[C@H](NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1cc(F)ccc1[O-] ZINC000369902571 499148841 /nfs/dbraw/zinc/14/88/41/499148841.db2.gz OJQJEKMEJPAYBF-UWVGGRQHSA-N -1 3 358.339 3.098 20 10 FGCDHM COCc1nccc([C@@H]2CCCN(Cc3cc(F)cc(C(C)=O)c3[O-])C2)n1 ZINC000372680258 499159989 /nfs/dbraw/zinc/15/99/89/499159989.db2.gz HENVTGVOYDUPHD-CQSZACIVSA-N -1 3 373.428 3.050 20 10 FGCDHM [O-]c1ccccc1CN(Cc1cc(-c2cccnc2)n[nH]1)C[C@@H]1CCCO1 ZINC000371321352 499309790 /nfs/dbraw/zinc/30/97/90/499309790.db2.gz PQDGONAFLOZYSP-IBGZPJMESA-N -1 3 364.449 3.359 20 10 FGCDHM Cc1ccc(C(=O)N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c([O-])c1O ZINC000371586888 499344574 /nfs/dbraw/zinc/34/45/74/499344574.db2.gz YJYPVOQOEXGDFD-UHFFFAOYSA-N -1 3 369.343 3.168 20 10 FGCDHM CCCOc1ccc(CN2CCOC[C@@H]2c2c(C)nn(C)c2C)c([O-])c1 ZINC000375262802 499500657 /nfs/dbraw/zinc/50/06/57/499500657.db2.gz XVQDJJMMDAPWJG-GOSISDBHSA-N -1 3 359.470 3.105 20 10 FGCDHM Cc1cc(C(=O)N2C[C@@H](C)C[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232952 598952316 /nfs/dbraw/zinc/95/23/16/598952316.db2.gz BGICUHCXBJAJAB-STQMWFEESA-N -1 3 364.453 3.145 20 10 FGCDHM Cc1cc(C(=O)N(C)CC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226681 598610354 /nfs/dbraw/zinc/61/03/54/598610354.db2.gz FBCCXLXANBJURP-UHFFFAOYSA-N -1 3 352.442 3.002 20 10 FGCDHM Cc1cc(C(=O)N2CCCC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235342 598610718 /nfs/dbraw/zinc/61/07/18/598610718.db2.gz VKPNPXBOQOSDHT-CYBMUJFWSA-N -1 3 364.453 3.289 20 10 FGCDHM Cc1cc(C(=O)Nc2cc(C)ccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737437785 598610905 /nfs/dbraw/zinc/61/09/05/598610905.db2.gz QSZQTEOSZRURIV-UHFFFAOYSA-N -1 3 373.420 3.230 20 10 FGCDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])c1[O-] ZINC000737678380 599839635 /nfs/dbraw/zinc/83/96/35/599839635.db2.gz QEOVBGHNAHJXGG-AWEZNQCLSA-N -1 3 357.406 3.161 20 10 FGCDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c1[O-] ZINC000737678380 599839637 /nfs/dbraw/zinc/83/96/37/599839637.db2.gz QEOVBGHNAHJXGG-AWEZNQCLSA-N -1 3 357.406 3.161 20 10 FGCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1c1ccccc1 ZINC000823504198 606390063 /nfs/dbraw/zinc/39/00/63/606390063.db2.gz NCSPWGUKNJAEHV-WQLSENKSSA-N -1 3 371.472 3.334 20 10 FGCDHM c1cc(-c2nn[n-]n2)ccc1OCCCOc1ccc(N2CCCC2)cc1 ZINC000823742810 606617425 /nfs/dbraw/zinc/61/74/25/606617425.db2.gz LOSQBDZACUDIRW-UHFFFAOYSA-N -1 3 365.437 3.315 20 10 FGCDHM Cc1c(NCc2cc(Br)ccc2O)cccc1-c1nn[n-]n1 ZINC000826242237 609485792 /nfs/dbraw/zinc/48/57/92/609485792.db2.gz GMDCJJDGHVKLHA-UHFFFAOYSA-N -1 3 360.215 3.255 20 10 FGCDHM CC(C)Oc1ccc(NCc2ccc(N(C)C)cc2)cc1-c1nnn[n-]1 ZINC000824329077 609490080 /nfs/dbraw/zinc/49/00/80/609490080.db2.gz HKJBDROGFBSBHZ-UHFFFAOYSA-N -1 3 352.442 3.332 20 10 FGCDHM CC(C)Oc1ccc(NCc2ccc(N(C)C)cc2)cc1-c1nn[n-]n1 ZINC000824329077 609490081 /nfs/dbraw/zinc/49/00/81/609490081.db2.gz HKJBDROGFBSBHZ-UHFFFAOYSA-N -1 3 352.442 3.332 20 10 FGCDHM O=C([N-]CCCN1CCCc2cc(OC(F)F)ccc21)C(F)(F)F ZINC000091599110 700422224 /nfs/dbraw/zinc/42/22/24/700422224.db2.gz YFJUZLHWPFTATL-UHFFFAOYSA-N -1 3 352.303 3.109 20 10 FGCDHM CC(C)CC[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092602725 700438088 /nfs/dbraw/zinc/43/80/88/700438088.db2.gz DVOSLXAOJGHWFG-HNNXBMFYSA-N -1 3 368.499 3.195 20 10 FGCDHM Cc1ccc(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c([O-])c1O ZINC000179485696 705703272 /nfs/dbraw/zinc/70/32/72/705703272.db2.gz BXQICYODSYQQFB-UHFFFAOYSA-N -1 3 359.382 3.240 20 10 FGCDHM C[C@@H](NCc1cccc(Br)c1[O-])c1nnc2n1CCCCC2 ZINC000314644094 713805709 /nfs/dbraw/zinc/80/57/09/713805709.db2.gz LERNOZPCSUVPJX-LLVKDONJSA-N -1 3 365.275 3.323 20 10 FGCDHM CC[C@H]1C[C@H](CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])CCO1 ZINC000780758660 724498598 /nfs/dbraw/zinc/49/85/98/724498598.db2.gz VPQUOAQHGPBLOI-CJNGLKHVSA-N -1 3 355.862 3.226 20 10 FGCDHM COC(=O)CN(Cc1cc(C)cc(Br)c1[O-])C1CCCC1 ZINC000781907882 724610856 /nfs/dbraw/zinc/61/08/56/724610856.db2.gz GJQGQXVPORRXDV-UHFFFAOYSA-N -1 3 356.260 3.381 20 10 FGCDHM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cccc(O)c1[O-] ZINC000790890217 723190146 /nfs/dbraw/zinc/19/01/46/723190146.db2.gz ICWCVBWQODCCBF-SECBINFHSA-N -1 3 368.202 3.360 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000790933210 723195440 /nfs/dbraw/zinc/19/54/40/723195440.db2.gz YJUOHSRURLDJCD-AHIWAGSCSA-N -1 3 370.287 3.231 20 10 FGCDHM [O-]c1ccc(Cl)cc1CN1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000763621011 723356705 /nfs/dbraw/zinc/35/67/05/723356705.db2.gz XSMOWJZKDCPTLV-UHFFFAOYSA-N -1 3 357.763 3.180 20 10 FGCDHM CN(Cc1ccc2c(c1)OCCO2)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768183678 723649708 /nfs/dbraw/zinc/64/97/08/723649708.db2.gz OSVNIFDJWGYKOK-UHFFFAOYSA-N -1 3 364.785 3.357 20 10 FGCDHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769751239 723694013 /nfs/dbraw/zinc/69/40/13/723694013.db2.gz FUYFBPRWMZPGHS-XJKSGUPXSA-N -1 3 368.499 3.098 20 10 FGCDHM COc1cccc(F)c1[C@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775021587 723953093 /nfs/dbraw/zinc/95/30/93/723953093.db2.gz PYKBUCGXFCOIQT-JTQLQIEISA-N -1 3 350.346 3.308 20 10 FGCDHM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775644198 724014864 /nfs/dbraw/zinc/01/48/64/724014864.db2.gz GMVODZKNYRTOHU-SNVBAGLBSA-N -1 3 372.849 3.025 20 10 FGCDHM O=[N+]([O-])c1cnc(N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000799937146 724115637 /nfs/dbraw/zinc/11/56/37/724115637.db2.gz KBPAMKHLLDKPKQ-LBPRGKRZSA-N -1 3 368.846 3.487 20 10 FGCDHM O=[N+]([O-])c1ccc([O-])c(CNCc2ccc(Br)cc2F)c1 ZINC000776250735 724124147 /nfs/dbraw/zinc/12/41/47/724124147.db2.gz KQHKRCFILKSOHE-UHFFFAOYSA-N -1 3 355.163 3.492 20 10 FGCDHM O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000801570589 724314820 /nfs/dbraw/zinc/31/48/20/724314820.db2.gz SGLILHJRHMFLNJ-UHFFFAOYSA-N -1 3 354.284 3.241 20 10 FGCDHM C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1cc(Br)ccc1[O-] ZINC000809697901 725260098 /nfs/dbraw/zinc/26/00/98/725260098.db2.gz RDXNCAOTDSEDDG-QPUJVOFHSA-N -1 3 354.166 3.306 20 10 FGCDHM COc1ccc(OC)c2c1CN(Cc1cc(Cl)c(C)cc1[O-])C[C@@H]2O ZINC000824534475 729345956 /nfs/dbraw/zinc/34/59/56/729345956.db2.gz DOZQDUNZTHZBCP-INIZCTEOSA-N -1 3 363.841 3.420 20 10 FGCDHM [O-]c1ccc(Cl)c(F)c1CN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000824637583 729352040 /nfs/dbraw/zinc/35/20/40/729352040.db2.gz YORGFURTOAUART-RDTXWAMCSA-N -1 3 353.796 3.485 20 10 FGCDHM Cc1cc([O-])c(CN2CCN(C(=O)c3cccc(O)c3)CC2)cc1Cl ZINC000824688391 729355176 /nfs/dbraw/zinc/35/51/76/729355176.db2.gz GGSDJMRKQSHEHT-UHFFFAOYSA-N -1 3 360.841 3.018 20 10 FGCDHM [O-]c1cc(F)c(Cl)cc1CN(CCN1CCOCC1)Cc1ccco1 ZINC000825305101 729377785 /nfs/dbraw/zinc/37/77/85/729377785.db2.gz CXNIACVFMYORLU-UHFFFAOYSA-N -1 3 368.836 3.112 20 10 FGCDHM COC(=O)[C@@H](NCc1cc(Cl)c(C)cc1[O-])c1ccc2c(c1)CCO2 ZINC000825563115 729387836 /nfs/dbraw/zinc/38/78/36/729387836.db2.gz SZUFAGKMVKIGAZ-SFHVURJKSA-N -1 3 361.825 3.293 20 10 FGCDHM COC(=O)CN(Cc1c(C)nsc1C)Cc1cc(Cl)ccc1[O-] ZINC000846823873 730984539 /nfs/dbraw/zinc/98/45/39/730984539.db2.gz BDWIRULSRPNYTI-UHFFFAOYSA-N -1 3 354.859 3.294 20 10 FGCDHM C[C@H](NCc1c([O-])cccc1Br)c1nnc2n1CCCCC2 ZINC000858094832 732179998 /nfs/dbraw/zinc/17/99/98/732179998.db2.gz IEYNOKXNENJCGZ-NSHDSACASA-N -1 3 365.275 3.323 20 10 FGCDHM COC(=O)CN(Cc1cnc(C2CC2)o1)Cc1cc(Cl)ccc1[O-] ZINC000862239638 732794969 /nfs/dbraw/zinc/79/49/69/732794969.db2.gz IDRBQUJBSFCMLF-UHFFFAOYSA-N -1 3 350.802 3.086 20 10 FGCDHM COc1ccc(N[C@H](C)c2c(O)cccc2F)cc1[N-]S(C)(=O)=O ZINC000886582829 739272478 /nfs/dbraw/zinc/27/24/78/739272478.db2.gz MPPYSHSGLMORPE-SNVBAGLBSA-N -1 3 354.403 3.085 20 10 FGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(c2ncc[nH]2)CC1 ZINC000893980430 742221761 /nfs/dbraw/zinc/22/17/61/742221761.db2.gz LHXFNHUTGILWPK-UHFFFAOYSA-N -1 3 354.223 3.397 20 10 FGCDHM [O-]c1c(F)cc(F)cc1CN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000894494273 742291321 /nfs/dbraw/zinc/29/13/21/742291321.db2.gz HHSJKKHSOOWZCW-UHFFFAOYSA-N -1 3 355.772 3.157 20 10 FGCDHM C[C@H]1CS(=O)(=O)CCCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000902559958 743758149 /nfs/dbraw/zinc/75/81/49/743758149.db2.gz ZUGMPHDFQFDKBF-ZDUSSCGKSA-N -1 3 363.479 3.026 20 10 FGCDHM O=C(NCc1c([O-])cccc1F)Nc1ccn(C2CCSCC2)n1 ZINC000932106828 761053511 /nfs/dbraw/zinc/05/35/11/761053511.db2.gz NGUWBALZDKIGRX-UHFFFAOYSA-N -1 3 350.419 3.118 20 10 FGCDHM CCCC(=O)NC[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092707609 494720766 /nfs/dbraw/zinc/72/07/66/494720766.db2.gz LFLLHSHNQYFGSS-GFCCVEGCSA-N -1 3 369.849 3.082 20 10 FGCDHM O=C1CCCCN1C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000093741421 494916187 /nfs/dbraw/zinc/91/61/87/494916187.db2.gz ZSDMRKJXENMBLM-UHFFFAOYSA-N -1 3 367.287 3.132 20 10 FGCDHM O=C(CC(F)(F)F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000129958080 495320208 /nfs/dbraw/zinc/32/02/08/495320208.db2.gz SWNKHZKLYFVMDQ-GFCCVEGCSA-N -1 3 350.768 3.079 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN[C@H](C[S@@](C)=O)c2ccccc2)c1[O-] ZINC000183146393 495853810 /nfs/dbraw/zinc/85/38/10/495853810.db2.gz FRZIDMIDQGEBOX-MZNJEOGPSA-N -1 3 365.882 3.458 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@@H]1CCCOC1 ZINC000174190925 495856779 /nfs/dbraw/zinc/85/67/79/495856779.db2.gz ZKWQAWVLXPBDSO-LBPRGKRZSA-N -1 3 371.275 3.113 20 10 FGCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c(C)c(C)c1O ZINC000187057776 496273435 /nfs/dbraw/zinc/27/34/35/496273435.db2.gz MNJAQWYFSAYKNW-UHFFFAOYSA-N -1 3 374.462 3.393 20 10 FGCDHM O=C(C1CCN(Cc2cc(Br)ccc2[O-])CC1)C(F)(F)F ZINC000187657304 496524367 /nfs/dbraw/zinc/52/43/67/496524367.db2.gz PIDLLCPKUNKIHH-UHFFFAOYSA-N -1 3 366.177 3.498 20 10 FGCDHM Cc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c([O-])c1O ZINC000194928465 496763526 /nfs/dbraw/zinc/76/35/26/496763526.db2.gz GITSILVOIPEUNI-UHFFFAOYSA-N -1 3 357.381 3.280 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cccnc2OCC(F)F)c1 ZINC000273459327 496812117 /nfs/dbraw/zinc/81/21/17/496812117.db2.gz HVLCNAGGRYKDPR-NSHDSACASA-N -1 3 366.364 3.069 20 10 FGCDHM C[C@H](NCc1ccc(N2CCOC2=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273493841 496821676 /nfs/dbraw/zinc/82/16/76/496821676.db2.gz XJGUWYBBJAVSPO-LBPRGKRZSA-N -1 3 357.366 3.108 20 10 FGCDHM COc1c([O-])c(CNc2ccc(C)c(N3CCOC3=O)c2)ccc1[N+](=O)[O-] ZINC000278902246 497261162 /nfs/dbraw/zinc/26/11/62/497261162.db2.gz REKXTCYRVXLAKS-UHFFFAOYSA-N -1 3 373.365 3.186 20 10 FGCDHM CCN(CC)Cc1nc(C2(NCc3cc(F)ccc3[O-])CCCC2)no1 ZINC000272356844 497607252 /nfs/dbraw/zinc/60/72/52/497607252.db2.gz DWSVPGAHCILPCS-UHFFFAOYSA-N -1 3 362.449 3.315 20 10 FGCDHM Cc1cnc([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)s1 ZINC000277149559 497757555 /nfs/dbraw/zinc/75/75/55/497757555.db2.gz AUZZSMXHYRIDQJ-JTQLQIEISA-N -1 3 365.842 3.336 20 10 FGCDHM C[C@@H](O)c1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000277219925 497780466 /nfs/dbraw/zinc/78/04/66/497780466.db2.gz FXFVQIIHNPXFJO-GFCCVEGCSA-N -1 3 374.824 3.063 20 10 FGCDHM Cc1nc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)sc1C ZINC000277259202 497789808 /nfs/dbraw/zinc/78/98/08/497789808.db2.gz IPNJKDWJRRTIEU-UHFFFAOYSA-N -1 3 351.815 3.088 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1[O-] ZINC000289199454 498055821 /nfs/dbraw/zinc/05/58/21/498055821.db2.gz BFQSSPZQJBZLKH-ZDUSSCGKSA-N -1 3 368.739 3.233 20 10 FGCDHM COc1cc(C)cc2c1OCC[C@H]2NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000364761645 498132804 /nfs/dbraw/zinc/13/28/04/498132804.db2.gz VWQIMNSZYZLBQZ-CQSZACIVSA-N -1 3 374.393 3.239 20 10 FGCDHM COc1cc(Cl)cc(CN[C@@H](C)c2nnc3n2CCCCC3)c1[O-] ZINC000359960334 498231490 /nfs/dbraw/zinc/23/14/90/498231490.db2.gz ZQJUJTQOLCYLOU-NSHDSACASA-N -1 3 350.850 3.223 20 10 FGCDHM COc1ccc([C@@H](O)C2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cc1 ZINC000293165017 498291281 /nfs/dbraw/zinc/29/12/81/498291281.db2.gz NCDXALWPKAVVHV-LJQANCHMSA-N -1 3 371.433 3.001 20 10 FGCDHM CCOCc1nc([C@@H](C)N[C@@H](C)c2cc(Br)ccc2[O-])no1 ZINC000290051098 498408480 /nfs/dbraw/zinc/40/84/80/498408480.db2.gz FBMSIULVILMUGL-VHSXEESVSA-N -1 3 370.247 3.486 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC3(CCOCC3)[C@H]2C2CC2)c1[O-] ZINC000293627628 498433112 /nfs/dbraw/zinc/43/31/12/498433112.db2.gz LCYNUXJHGJSNBC-MRXNPFEDSA-N -1 3 352.818 3.345 20 10 FGCDHM COc1ccc(CS(C)(=O)=O)cc1N[C@@H](C)c1cc(F)ccc1[O-] ZINC000287389326 498738916 /nfs/dbraw/zinc/73/89/16/498738916.db2.gz IPTHXKNABIUINM-NSHDSACASA-N -1 3 353.415 3.258 20 10 FGCDHM CC[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(Cl)c1[O-] ZINC000287547421 498794057 /nfs/dbraw/zinc/79/40/57/498794057.db2.gz FKBAVYJALBXJPG-VXGBXAGGSA-N -1 3 350.768 3.250 20 10 FGCDHM COc1c([O-])c(CNCc2cccc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000294915689 498849120 /nfs/dbraw/zinc/84/91/20/498849120.db2.gz YIBKNNDENUXHLN-UHFFFAOYSA-N -1 3 357.288 3.013 20 10 FGCDHM CN(C)c1ccc(C2=CCN(C(=O)c3c[n-]c4ccccc4c3=O)C2)cc1 ZINC000370648628 499239598 /nfs/dbraw/zinc/23/95/98/499239598.db2.gz SKUZOIYIBGFRFW-UHFFFAOYSA-N -1 3 359.429 3.134 20 10 FGCDHM Cc1ccc(C(=O)NCc2nnc(-c3ccc(Cl)cc3)o2)c([O-])c1O ZINC000367983508 499252085 /nfs/dbraw/zinc/25/20/85/499252085.db2.gz PMXBZQYICOLASI-UHFFFAOYSA-N -1 3 359.769 3.040 20 10 FGCDHM CCCOc1ccc(CN[C@@H]2CCCc3cn(CCOC)nc32)c([O-])c1 ZINC000368084052 499262368 /nfs/dbraw/zinc/26/23/68/499262368.db2.gz CESAFWFWEQATNA-GOSISDBHSA-N -1 3 359.470 3.191 20 10 FGCDHM Cc1ncsc1C(=O)N1CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000368582433 499309997 /nfs/dbraw/zinc/30/99/97/499309997.db2.gz KGSONZMAXXUVDG-UHFFFAOYSA-N -1 3 365.886 3.159 20 10 FGCDHM [O-]c1ccccc1CN(Cc1nc(-c2ccccn2)no1)C[C@H]1CCCO1 ZINC000371672567 499353513 /nfs/dbraw/zinc/35/35/13/499353513.db2.gz XAVRILWBLIXJST-MRXNPFEDSA-N -1 3 366.421 3.018 20 10 FGCDHM COc1c([O-])c(CN2CCC[C@H](n3ccnc3C(C)C)C2)ccc1[N+](=O)[O-] ZINC000373207991 499457530 /nfs/dbraw/zinc/45/75/30/499457530.db2.gz FXKWPBMHNLUEBY-HNNXBMFYSA-N -1 3 374.441 3.466 20 10 FGCDHM COc1cc(Br)cc(CN2CCC[C@@H]2c2ncc[nH]2)c1[O-] ZINC000375354996 499510123 /nfs/dbraw/zinc/51/01/23/499510123.db2.gz VIQKRXMMYLUJHT-GFCCVEGCSA-N -1 3 352.232 3.224 20 10 FGCDHM CC[C@@H](c1ccccc1[O-])N1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000377668953 499717559 /nfs/dbraw/zinc/71/75/59/499717559.db2.gz GIWNCNRWACICMP-DLBZAZTESA-N -1 3 365.433 3.028 20 10 FGCDHM COc1c([O-])c(CN[C@H](C)c2nccn2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000377868121 499743435 /nfs/dbraw/zinc/74/34/35/499743435.db2.gz FWDYUUXMZVXMMV-CYBMUJFWSA-N -1 3 368.393 3.346 20 10 FGCDHM Cc1cc(C)c(NNC(=S)Nc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000822194249 599231529 /nfs/dbraw/zinc/23/15/29/599231529.db2.gz PBDSIVAGOSPRRH-UHFFFAOYSA-N -1 3 353.455 3.105 20 10 FGCDHM Cc1cc(C)c(NNC(=S)Nc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000822194249 599231531 /nfs/dbraw/zinc/23/15/31/599231531.db2.gz PBDSIVAGOSPRRH-UHFFFAOYSA-N -1 3 353.455 3.105 20 10 FGCDHM Cc1cc(C(=O)OCc2ccncc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737239566 598291998 /nfs/dbraw/zinc/29/19/98/598291998.db2.gz ABMDXADNOSXGBS-UHFFFAOYSA-N -1 3 374.404 3.026 20 10 FGCDHM CCCCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736451170 598609266 /nfs/dbraw/zinc/60/92/66/598609266.db2.gz JWBACMUZHUZTDZ-UHFFFAOYSA-N -1 3 352.442 3.194 20 10 FGCDHM CSCCCOC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821971196 599660431 /nfs/dbraw/zinc/66/04/31/599660431.db2.gz YPSYEBGNIKCSDS-UHFFFAOYSA-N -1 3 371.466 3.184 20 10 FGCDHM COc1ccc2ccc([O-])c(C[N@H+](CCC(=O)[O-])Cc3ccncc3)c2c1 ZINC000832504894 601559711 /nfs/dbraw/zinc/55/97/11/601559711.db2.gz YMVRHCLBAJTLSY-UHFFFAOYSA-N -1 3 366.417 3.426 20 10 FGCDHM COc1ccc2ccc([O-])c(C[N@@H+](CCC(=O)[O-])Cc3ccncc3)c2c1 ZINC000832504894 601559712 /nfs/dbraw/zinc/55/97/12/601559712.db2.gz YMVRHCLBAJTLSY-UHFFFAOYSA-N -1 3 366.417 3.426 20 10 FGCDHM O=C([O-])N[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000834159374 605795448 /nfs/dbraw/zinc/79/54/48/605795448.db2.gz SRTOVGDKOFUNNB-VQTJNVASSA-N -1 3 367.449 3.067 20 10 FGCDHM CN(C)c1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cc1F ZINC000821589530 606062236 /nfs/dbraw/zinc/06/22/36/606062236.db2.gz RSXZRHVORNWWCR-UHFFFAOYSA-N -1 3 363.400 3.232 20 10 FGCDHM CN(C)c1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cc1F ZINC000821589530 606062240 /nfs/dbraw/zinc/06/22/40/606062240.db2.gz RSXZRHVORNWWCR-UHFFFAOYSA-N -1 3 363.400 3.232 20 10 FGCDHM Oc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000826511600 608376887 /nfs/dbraw/zinc/37/68/87/608376887.db2.gz WXZUNBRHRGCKQO-UHFFFAOYSA-N -1 3 354.320 3.011 20 10 FGCDHM Oc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000826511600 608376889 /nfs/dbraw/zinc/37/68/89/608376889.db2.gz WXZUNBRHRGCKQO-UHFFFAOYSA-N -1 3 354.320 3.011 20 10 FGCDHM COC(=O)CN(Cc1sc(C)nc1C)Cc1cc(Cl)ccc1[O-] ZINC000172799368 705429836 /nfs/dbraw/zinc/42/98/36/705429836.db2.gz SEFIOEFZQHFOMK-UHFFFAOYSA-N -1 3 354.859 3.294 20 10 FGCDHM COc1ccc([C@@H](CO)N(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1 ZINC000177168767 705610128 /nfs/dbraw/zinc/61/01/28/705610128.db2.gz BGIOWVYRHZXKMC-GOSISDBHSA-N -1 3 363.841 3.422 20 10 FGCDHM C[C@@H]1C[C@]2(CCO1)CN(Cc1cc(Br)ccc1[O-])C[C@H](C)O2 ZINC000373979749 713889797 /nfs/dbraw/zinc/88/97/97/713889797.db2.gz ZAWSPNYDQDIWEL-IIYDPXPESA-N -1 3 370.287 3.313 20 10 FGCDHM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cc(Br)ccc1[O-] ZINC000769494961 723687265 /nfs/dbraw/zinc/68/72/65/723687265.db2.gz CUMVHPYWVURWKQ-HZPDHXFCSA-N -1 3 369.303 3.376 20 10 FGCDHM COCCOc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1Cl ZINC000780904802 724513368 /nfs/dbraw/zinc/51/33/68/724513368.db2.gz JPEXKARRDTZBEY-UHFFFAOYSA-N -1 3 351.786 3.337 20 10 FGCDHM CCOC(=O)N[C@H]1CCCN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781895527 724608623 /nfs/dbraw/zinc/60/86/23/724608623.db2.gz BEFHMYJEEOQXBK-ZDUSSCGKSA-N -1 3 371.275 3.174 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2nccc(-c3cnn(C)c3)n2)c1 ZINC000784326137 724843414 /nfs/dbraw/zinc/84/34/14/724843414.db2.gz RUMFVDLSWYGYIR-UHFFFAOYSA-N -1 3 374.242 3.266 20 10 FGCDHM C[C@H](C[S@](C)=O)N(C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708075934 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COc1c([O-])c(CNC(C)(C)c2nc(C)c(C)s2)ccc1[N+](=O)[O-] ZINC000775015835 723952378 /nfs/dbraw/zinc/95/23/78/723952378.db2.gz YEXDPVFCPNNXRR-UHFFFAOYSA-N -1 3 351.428 3.407 20 10 FGCDHM COc1ccc([O-])c(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c1 ZINC000775676840 724022042 /nfs/dbraw/zinc/02/20/42/724022042.db2.gz MKINQKRWULRGLR-UHFFFAOYSA-N -1 3 351.424 3.339 20 10 FGCDHM C[C@@H](Cc1ccccc1Br)NC(=O)c1cccc(O)c1[O-] ZINC000776668865 724168780 /nfs/dbraw/zinc/16/87/80/724168780.db2.gz DHTFIMSCLOINCT-JTQLQIEISA-N -1 3 350.212 3.221 20 10 FGCDHM CS(=O)(=O)c1ccc(CNCc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000786826259 725002217 /nfs/dbraw/zinc/00/22/17/725002217.db2.gz DPRBLHVIIKJZPI-UHFFFAOYSA-N -1 3 366.291 3.454 20 10 FGCDHM COC(=O)CN(Cc1ccc(F)nc1C)Cc1cc(Cl)ccc1[O-] ZINC000787164595 725018399 /nfs/dbraw/zinc/01/83/99/725018399.db2.gz BEWACSGRTCNPSS-UHFFFAOYSA-N -1 3 352.793 3.063 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2nncn2-c2cccnc2)c1 ZINC000806671002 725140185 /nfs/dbraw/zinc/14/01/85/725140185.db2.gz QVHOGZPKWUCXJY-UHFFFAOYSA-N -1 3 360.215 3.051 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2cccc3c2OCC(=O)N3)c1 ZINC000810161195 725293861 /nfs/dbraw/zinc/29/38/61/725293861.db2.gz FJICHIQFEWXXCJ-UHFFFAOYSA-N -1 3 363.211 3.406 20 10 FGCDHM Cc1nsc(N2CCCN(Cc3cc(Cl)c(F)cc3[O-])CC2)n1 ZINC000816516251 727170561 /nfs/dbraw/zinc/17/05/61/727170561.db2.gz YYKZVJPSPXUPIG-UHFFFAOYSA-N -1 3 356.854 3.057 20 10 FGCDHM CC[C@H](N[C@H](C(N)=O)c1ccccn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000824515834 729344780 /nfs/dbraw/zinc/34/47/80/729344780.db2.gz IPFNQKRPJAZMRC-WFASDCNBSA-N -1 3 353.344 3.073 20 10 FGCDHM C[C@H](NCc1c([O-])ccc(Cl)c1F)C(=O)NCCc1ccccc1 ZINC000825040638 729368730 /nfs/dbraw/zinc/36/87/30/729368730.db2.gz QMVKZHSUJGDVJG-LBPRGKRZSA-N -1 3 350.821 3.022 20 10 FGCDHM CC(C)OCc1nc([C@@H](C)NCc2ccc(Br)cc2[O-])no1 ZINC000825955391 729400837 /nfs/dbraw/zinc/40/08/37/729400837.db2.gz MDJDYECWATUADI-SNVBAGLBSA-N -1 3 370.247 3.314 20 10 FGCDHM COC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC000826143423 729405899 /nfs/dbraw/zinc/40/58/99/729405899.db2.gz ZDMRFWXPTFIFGE-SUYBPPKGSA-N -1 3 355.862 3.190 20 10 FGCDHM CC1(C)Cc2n[nH]cc2CN(Cc2cccc(Br)c2[O-])C1 ZINC000828014243 729438451 /nfs/dbraw/zinc/43/84/51/729438451.db2.gz YHPSXVWLIHJVOL-UHFFFAOYSA-N -1 3 350.260 3.462 20 10 FGCDHM C[C@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840795794 730175115 /nfs/dbraw/zinc/17/51/15/730175115.db2.gz CDSDQKZPJJZILB-AUYAEMIRSA-N -1 3 364.423 3.286 20 10 FGCDHM CN(C)c1ccc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c(C(F)(F)F)c1 ZINC000859807189 732396809 /nfs/dbraw/zinc/39/68/09/732396809.db2.gz YFXHRURPBMXANO-OAHLLOKOSA-N -1 3 356.388 3.458 20 10 FGCDHM CC(C)(C)c1nnc2n1CCN(Cc1c([O-])cccc1Br)C2 ZINC000862418350 732830260 /nfs/dbraw/zinc/83/02/60/732830260.db2.gz OIWMPCYHVQXFFU-UHFFFAOYSA-N -1 3 365.275 3.060 20 10 FGCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000865654215 733246864 /nfs/dbraw/zinc/24/68/64/733246864.db2.gz LVCPLPHQRMMRBU-CQSZACIVSA-N -1 3 356.300 3.142 20 10 FGCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1n[nH]c(C2CCOCC2)n1 ZINC000865687008 733252674 /nfs/dbraw/zinc/25/26/74/733252674.db2.gz LMPOAIRMOZCJQU-UHFFFAOYSA-N -1 3 357.241 3.001 20 10 FGCDHM COC(=O)c1oc(CNCc2c([O-])cccc2Br)cc1C ZINC000877693696 736706106 /nfs/dbraw/zinc/70/61/06/736706106.db2.gz OBQTXFIRGNTPJW-UHFFFAOYSA-N -1 3 354.200 3.133 20 10 FGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@@H](C2OCCO2)C1 ZINC000896378852 742541896 /nfs/dbraw/zinc/54/18/96/742541896.db2.gz VCXKJWQPTZBQER-SECBINFHSA-N -1 3 362.651 3.003 20 10 FGCDHM Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCc1c([O-])cccc1F ZINC000928704870 760241998 /nfs/dbraw/zinc/24/19/98/760241998.db2.gz AEKOPYFCTQPZNR-UHFFFAOYSA-N -1 3 365.714 3.025 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CCSC1 ZINC000080518405 494725239 /nfs/dbraw/zinc/72/52/39/494725239.db2.gz MEIRIPFQLKSVLW-LBPRGKRZSA-N -1 3 359.289 3.192 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCSC2(CCOCC2)C1 ZINC000186501108 496022264 /nfs/dbraw/zinc/02/22/64/496022264.db2.gz VHLYSKDBCHWJEN-UHFFFAOYSA-N -1 3 358.301 3.253 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000187221512 496346568 /nfs/dbraw/zinc/34/65/68/496346568.db2.gz GCRWJUNAPFRRGE-OAHLLOKOSA-N -1 3 367.323 3.330 20 10 FGCDHM C[C@@H](NCc1nnc2n1CCCCC2)c1cc(Br)ccc1[O-] ZINC000184877468 496568455 /nfs/dbraw/zinc/56/84/55/496568455.db2.gz RTPUHNFOAYUGQY-LLVKDONJSA-N -1 3 365.275 3.323 20 10 FGCDHM C[C@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273302356 496768223 /nfs/dbraw/zinc/76/82/23/496768223.db2.gz BSRXVCNTPAZQEA-KBXCAEBGSA-N -1 3 369.421 3.315 20 10 FGCDHM C[C@H](N[C@H](CN1CCOCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273387166 496791801 /nfs/dbraw/zinc/79/18/01/496791801.db2.gz JWPMHTVQOLFNIA-HNAYVOBHSA-N -1 3 371.437 3.025 20 10 FGCDHM C[C@@H](NCc1c([O-])cccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000264949743 497017771 /nfs/dbraw/zinc/01/77/71/497017771.db2.gz KFDIGRPEWFWWRJ-GFCCVEGCSA-N -1 3 368.886 3.147 20 10 FGCDHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000270057781 497049556 /nfs/dbraw/zinc/04/95/56/497049556.db2.gz PKALQEFRFFMYRP-UHFFFAOYSA-N -1 3 369.465 3.467 20 10 FGCDHM COc1cc(OC)cc([C@@H](NCc2ccccc2[O-])c2nccn2C)c1 ZINC000237364182 497226436 /nfs/dbraw/zinc/22/64/36/497226436.db2.gz RKRFINUKPFXJEY-LJQANCHMSA-N -1 3 353.422 3.022 20 10 FGCDHM Cc1nn2c(CN(Cc3ccccc3[O-])C[C@H]3CCCO3)c(C)nc2s1 ZINC000270997670 497242426 /nfs/dbraw/zinc/24/24/26/497242426.db2.gz JZYUMKSHDDPZEQ-MRXNPFEDSA-N -1 3 372.494 3.294 20 10 FGCDHM COc1ccc(CN(C)C(=O)c2ccc(C)c(O)c2[O-])cc1OC(F)F ZINC000272842391 497743375 /nfs/dbraw/zinc/74/33/75/497743375.db2.gz RMYIMMXKOYOWJK-UHFFFAOYSA-N -1 3 367.348 3.288 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC3(C[C@@H]3c3nnc(C)o3)CC2)c1[O-] ZINC000364204771 497840045 /nfs/dbraw/zinc/84/00/45/497840045.db2.gz DKCJTXOLQQNBNK-MRXNPFEDSA-N -1 3 359.401 3.195 20 10 FGCDHM C[C@H](NCc1ccncc1OCC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000281660766 498228647 /nfs/dbraw/zinc/22/86/47/498228647.db2.gz QFQGCCKGPGJDMK-JTQLQIEISA-N -1 3 371.315 3.487 20 10 FGCDHM COc1cc(Cl)cc(CN2CCC(NC(=O)c3ccoc3)CC2)c1[O-] ZINC000359961909 498232644 /nfs/dbraw/zinc/23/26/44/498232644.db2.gz UFLPARXILOBWMQ-UHFFFAOYSA-N -1 3 364.829 3.042 20 10 FGCDHM [O-]c1ccc(F)c(CNCc2ccc(N3CCC(CO)CC3)cc2)c1F ZINC000294164727 498608350 /nfs/dbraw/zinc/60/83/50/498608350.db2.gz IULSOENFBDJBIK-UHFFFAOYSA-N -1 3 362.420 3.169 20 10 FGCDHM COc1cc(Cl)cc(CN[C@@H](C)c2noc(COC(C)C)n2)c1[O-] ZINC000290842783 498697851 /nfs/dbraw/zinc/69/78/51/498697851.db2.gz IKMADBSFASFMNT-JTQLQIEISA-N -1 3 355.822 3.213 20 10 FGCDHM CC[C@H](NCc1cccnc1N1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287565264 498798897 /nfs/dbraw/zinc/79/88/97/498798897.db2.gz GKHTXANMUOKMPV-SFHVURJKSA-N -1 3 374.916 3.433 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC(c3noc(C4CC4)n3)CC2)c1[O-] ZINC000364041466 499096810 /nfs/dbraw/zinc/09/68/10/499096810.db2.gz DHJLBFATITUSBM-UHFFFAOYSA-N -1 3 359.401 3.374 20 10 FGCDHM CN(C(=O)[C@@H]1CC12CCN(Cc1c([O-])ccc(Cl)c1F)CC2)C1CC1 ZINC000377274461 499676135 /nfs/dbraw/zinc/67/61/35/499676135.db2.gz ZJUVJHHJFHYUDL-AWEZNQCLSA-N -1 3 366.864 3.408 20 10 FGCDHM CC[C@@H](C)[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736332587 598611497 /nfs/dbraw/zinc/61/14/97/598611497.db2.gz RVYDIDRFJNIPGW-OCCSQVGLSA-N -1 3 366.469 3.439 20 10 FGCDHM CCN(CC1CC1)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736535924 598754551 /nfs/dbraw/zinc/75/45/51/598754551.db2.gz YPNYQVCXLWLEBE-UHFFFAOYSA-N -1 3 364.453 3.146 20 10 FGCDHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(N2CCOCC2)cc1 ZINC000820455082 599495129 /nfs/dbraw/zinc/49/51/29/599495129.db2.gz CCRMPLQWEGDBMY-ZDUSSCGKSA-N -1 3 368.416 3.016 20 10 FGCDHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(N2CCOCC2)cc1 ZINC000820455082 599495131 /nfs/dbraw/zinc/49/51/31/599495131.db2.gz CCRMPLQWEGDBMY-ZDUSSCGKSA-N -1 3 368.416 3.016 20 10 FGCDHM COc1ccc(N(C)Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1Cl ZINC000826208797 607515600 /nfs/dbraw/zinc/51/56/00/607515600.db2.gz AEWYCPAFWMPCII-UHFFFAOYSA-N -1 3 359.817 3.174 20 10 FGCDHM COc1ccc(N(C)Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1Cl ZINC000826208797 607515602 /nfs/dbraw/zinc/51/56/02/607515602.db2.gz AEWYCPAFWMPCII-UHFFFAOYSA-N -1 3 359.817 3.174 20 10 FGCDHM COc1cccc(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1O ZINC000833735279 604676239 /nfs/dbraw/zinc/67/62/39/604676239.db2.gz IUOGYAPURNCQLP-HNNXBMFYSA-N -1 3 355.312 3.076 20 10 FGCDHM O=C([O-])N1CC[C@]2(C1)C[C@@H](NCc1ccccc1O)c1ccccc1O2 ZINC000834088319 605636743 /nfs/dbraw/zinc/63/67/43/605636743.db2.gz WSLMAMFWHQETTH-OXQOHEQNSA-N -1 3 354.406 3.128 20 10 FGCDHM O=C([O-])N1CC[C@]2(C1)C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccccc1O2 ZINC000834088319 605636744 /nfs/dbraw/zinc/63/67/44/605636744.db2.gz WSLMAMFWHQETTH-OXQOHEQNSA-N -1 3 354.406 3.128 20 10 FGCDHM c1c(COc2ccc(N3CCCC3)cc2)c(-c2nnn[n-]2)c2ccccn12 ZINC000823809333 606617664 /nfs/dbraw/zinc/61/76/64/606617664.db2.gz LCQPTMNZHNAEAI-UHFFFAOYSA-N -1 3 360.421 3.299 20 10 FGCDHM c1c(COc2ccc(N3CCCC3)cc2)c(-c2nn[n-]n2)c2ccccn12 ZINC000823809333 606617665 /nfs/dbraw/zinc/61/76/65/606617665.db2.gz LCQPTMNZHNAEAI-UHFFFAOYSA-N -1 3 360.421 3.299 20 10 FGCDHM CCN(C(=O)C=Cc1cnc(C)s1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367041 608346718 /nfs/dbraw/zinc/34/67/18/608346718.db2.gz IIYZQROFLMVRBX-FNORWQNLSA-N -1 3 374.857 3.351 20 10 FGCDHM CCN(C(=O)C=Cc1cnc(C)s1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367041 608346720 /nfs/dbraw/zinc/34/67/20/608346720.db2.gz IIYZQROFLMVRBX-FNORWQNLSA-N -1 3 374.857 3.351 20 10 FGCDHM COC(=O)CN(Cc1nc2ccccc2o1)Cc1cc(Cl)ccc1[O-] ZINC000109779643 700537055 /nfs/dbraw/zinc/53/70/55/700537055.db2.gz XMRYGPFLHRVFSC-UHFFFAOYSA-N -1 3 360.797 3.362 20 10 FGCDHM CCN(Cc1nnc(C)n1C1CC1)Cc1cc(Br)ccc1[O-] ZINC000174424423 705504021 /nfs/dbraw/zinc/50/40/21/705504021.db2.gz BNDUAXYRMUWITO-UHFFFAOYSA-N -1 3 365.275 3.412 20 10 FGCDHM COC(=O)[C@@H](NCc1cc(Cl)ccc1[O-])c1ccc(OC)cc1OC ZINC000779179530 724398135 /nfs/dbraw/zinc/39/81/35/724398135.db2.gz FMMOLRBRHUEYFE-KRWDZBQOSA-N -1 3 365.813 3.067 20 10 FGCDHM COC(=O)CCSc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000780994065 724519898 /nfs/dbraw/zinc/51/98/98/724519898.db2.gz BVTRVSVDOJFKCH-UHFFFAOYSA-N -1 3 361.419 3.314 20 10 FGCDHM CO[C@@H]1CC[C@H]2OCCN(Cc3cc(C)cc(Br)c3[O-])[C@H]2C1 ZINC000781913173 724611795 /nfs/dbraw/zinc/61/17/95/724611795.db2.gz ZWQRHYSSXGNPKK-VNQPRFMTSA-N -1 3 370.287 3.231 20 10 FGCDHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(C(=O)OC)ccc1[O-] ZINC000731496618 722475939 /nfs/dbraw/zinc/47/59/39/722475939.db2.gz IQORMZIMNJDRHD-INIZCTEOSA-N -1 3 360.797 3.419 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000753567777 722904686 /nfs/dbraw/zinc/90/46/86/722904686.db2.gz ASLQOMCSJBVVIR-CYBMUJFWSA-N -1 3 370.287 3.172 20 10 FGCDHM O=S1(=O)CCc2cc(CNCc3cc(Cl)cc(Cl)c3[O-])ccc21 ZINC000757694833 722978409 /nfs/dbraw/zinc/97/84/09/722978409.db2.gz YXHAEJHUEPEPLF-UHFFFAOYSA-N -1 3 372.273 3.319 20 10 FGCDHM CCN(CC)[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccsc1 ZINC000789957552 723088085 /nfs/dbraw/zinc/08/80/85/723088085.db2.gz UMYOCTARMDRHAQ-ZDUSSCGKSA-N -1 3 352.431 3.111 20 10 FGCDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])Oc1cccc(Br)c1 ZINC000790804493 723180034 /nfs/dbraw/zinc/18/00/34/723180034.db2.gz GFGHMGNYBBSPRA-SNVBAGLBSA-N -1 3 366.211 3.058 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC000790932451 723195380 /nfs/dbraw/zinc/19/53/80/723195380.db2.gz QDMJNDPQXLEHJJ-ZDUSSCGKSA-N -1 3 370.287 3.233 20 10 FGCDHM CCS(=O)(=O)c1ccc(CNCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790990334 723202836 /nfs/dbraw/zinc/20/28/36/723202836.db2.gz MLUQFWYOYHOPAC-UHFFFAOYSA-N -1 3 357.834 3.268 20 10 FGCDHM C[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000794826553 723548019 /nfs/dbraw/zinc/54/80/19/723548019.db2.gz CJUDXMJUUYMREO-PSLIRLAXSA-N -1 3 367.218 3.171 20 10 FGCDHM CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H]1COc2ccccc2O1 ZINC000768180526 723649531 /nfs/dbraw/zinc/64/95/31/723649531.db2.gz KVBNBMDHGCEABE-CYBMUJFWSA-N -1 3 364.785 3.226 20 10 FGCDHM COc1c([O-])c([C@H]2Nc3cc(Cl)ccc3C(=O)N2C)ccc1[N+](=O)[O-] ZINC000772175950 723753089 /nfs/dbraw/zinc/75/30/89/723753089.db2.gz HJSPSQGPIAYZIY-HNNXBMFYSA-N -1 3 363.757 3.159 20 10 FGCDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000797605685 723841356 /nfs/dbraw/zinc/84/13/56/723841356.db2.gz UPXAEMNPRMDXFS-PBFPGSCMSA-N -1 3 370.287 3.313 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNCc2ncnn2C(C)(C)C)c1 ZINC000800293845 724176381 /nfs/dbraw/zinc/17/63/81/724176381.db2.gz MVEPUXOQQQUYSR-UHFFFAOYSA-N -1 3 353.264 3.099 20 10 FGCDHM O=C(N[C@H]1CSc2ccc(Br)cc21)c1cccc(O)c1[O-] ZINC000787717827 725036175 /nfs/dbraw/zinc/03/61/75/725036175.db2.gz RRSHSLFDRDKCNJ-NSHDSACASA-N -1 3 366.236 3.437 20 10 FGCDHM C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1cc(Br)ccc1[O-] ZINC000809697902 725260058 /nfs/dbraw/zinc/26/00/58/725260058.db2.gz RDXNCAOTDSEDDG-UFBFGSQYSA-N -1 3 354.166 3.306 20 10 FGCDHM COC(=O)c1cnc([C@H](C)NCc2cc(Cl)cc(C(C)=O)c2[O-])s1 ZINC000823455672 729282028 /nfs/dbraw/zinc/28/20/28/729282028.db2.gz LOTZKNVIQQIVSC-QMMMGPOBSA-N -1 3 368.842 3.342 20 10 FGCDHM [O-]c1ccc(Cl)c(F)c1CN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000824637580 729352117 /nfs/dbraw/zinc/35/21/17/729352117.db2.gz YORGFURTOAUART-KBXCAEBGSA-N -1 3 353.796 3.485 20 10 FGCDHM COC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])c1ccc2c(c1)CCO2 ZINC000825563112 729387849 /nfs/dbraw/zinc/38/78/49/729387849.db2.gz SZUFAGKMVKIGAZ-GOSISDBHSA-N -1 3 361.825 3.293 20 10 FGCDHM Cc1cccc(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826299878 729407133 /nfs/dbraw/zinc/40/71/33/729407133.db2.gz ZJANIWMSICRMBG-UHFFFAOYSA-N -1 3 359.846 3.142 20 10 FGCDHM Cc1cccc(NC(=S)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826299878 729407135 /nfs/dbraw/zinc/40/71/35/729407135.db2.gz ZJANIWMSICRMBG-UHFFFAOYSA-N -1 3 359.846 3.142 20 10 FGCDHM Cc1ccccc1NC(=S)NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826307418 729407183 /nfs/dbraw/zinc/40/71/83/729407183.db2.gz HMOCEFFBZAGVGR-UHFFFAOYSA-N -1 3 359.846 3.142 20 10 FGCDHM Cc1ccccc1NC(=S)NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826307418 729407184 /nfs/dbraw/zinc/40/71/84/729407184.db2.gz HMOCEFFBZAGVGR-UHFFFAOYSA-N -1 3 359.846 3.142 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCc2cc(Cl)nnc2C1 ZINC000843417854 730618062 /nfs/dbraw/zinc/61/80/62/730618062.db2.gz DIXSKQLVQDEDCB-UHFFFAOYSA-N -1 3 354.635 3.156 20 10 FGCDHM COC(=O)CN(Cc1cc(C2CC2)no1)Cc1cc(Cl)ccc1[O-] ZINC000851841338 731507234 /nfs/dbraw/zinc/50/72/34/731507234.db2.gz PHHHRSVIXLOJAI-UHFFFAOYSA-N -1 3 350.802 3.086 20 10 FGCDHM Cc1ccncc1N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862352283 732814104 /nfs/dbraw/zinc/81/41/04/732814104.db2.gz CGKXXNYEKMIZOV-UHFFFAOYSA-N -1 3 362.271 3.180 20 10 FGCDHM C[C@H](Nc1ccc(OCCS(C)(=O)=O)cc1)c1c([O-])cccc1F ZINC000886636870 739277755 /nfs/dbraw/zinc/27/77/55/739277755.db2.gz XIGSCSMRRDPSDE-LBPRGKRZSA-N -1 3 353.415 3.128 20 10 FGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000893965789 742219823 /nfs/dbraw/zinc/21/98/23/742219823.db2.gz ASITUQSCWQGKHF-SNVBAGLBSA-N -1 3 354.223 3.397 20 10 FGCDHM CCN(CCNC(=O)NCc1cccc(Cl)c1[O-])CCC(F)(F)F ZINC000894429195 742282455 /nfs/dbraw/zinc/28/24/55/742282455.db2.gz CHVGFOZEPGTNRM-UHFFFAOYSA-N -1 3 367.799 3.119 20 10 FGCDHM Cn1nc(CNCc2ccc(Br)cc2[O-])cc1C(F)(F)F ZINC000898021081 742734428 /nfs/dbraw/zinc/73/44/28/742734428.db2.gz SUDRLAKZVRXTFY-UHFFFAOYSA-N -1 3 364.165 3.197 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCCSC[C@@H]2c2cnn(C)c2)c1[O-] ZINC000933986498 761518188 /nfs/dbraw/zinc/51/81/88/761518188.db2.gz SUXPBTRMSGDYLB-QGZVFWFLSA-N -1 3 363.458 3.148 20 10 FGCDHM COc1cc(Br)cc(CN2CCC[C@@H](n3cccn3)C2)c1[O-] ZINC000092967176 494797288 /nfs/dbraw/zinc/79/72/88/494797288.db2.gz ZPXFZYBOCVXSNZ-CQSZACIVSA-N -1 3 366.259 3.197 20 10 FGCDHM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000123894910 495203670 /nfs/dbraw/zinc/20/36/70/495203670.db2.gz RDEVAEQMPBAOKU-UHFFFAOYSA-N -1 3 374.462 3.144 20 10 FGCDHM O=C(CC(F)(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000129957857 495319906 /nfs/dbraw/zinc/31/99/06/495319906.db2.gz SWNKHZKLYFVMDQ-LBPRGKRZSA-N -1 3 350.768 3.079 20 10 FGCDHM CC(=O)c1cc(F)cc(CN[C@H](c2cnn(C)c2)c2ccc(F)cc2)c1[O-] ZINC000185447379 495580473 /nfs/dbraw/zinc/58/04/73/495580473.db2.gz JXPZMTAUENAOLL-IBGZPJMESA-N -1 3 371.387 3.486 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCSC[C@@H]2c2nccs2)c1[O-] ZINC000187052590 496271595 /nfs/dbraw/zinc/27/15/95/496271595.db2.gz LMEHJAFORULHQQ-CQSZACIVSA-N -1 3 352.456 3.481 20 10 FGCDHM C[C@H](NCc1ccccc1OCCN1CCOCC1)c1ccc(F)cc1[O-] ZINC000185197603 496700993 /nfs/dbraw/zinc/70/09/93/496700993.db2.gz GVAFLCAKXVNAPB-INIZCTEOSA-N -1 3 374.456 3.093 20 10 FGCDHM C[C@@H](NCc1cccc(N2CCCC2=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273441357 496807087 /nfs/dbraw/zinc/80/70/87/496807087.db2.gz YPODJDVEHWUAOX-CYBMUJFWSA-N -1 3 355.394 3.278 20 10 FGCDHM CC(=O)N1CCN(c2cccc(N[C@@H](C)c3cc(F)ccc3[O-])c2)CC1 ZINC000188537548 496824673 /nfs/dbraw/zinc/82/46/73/496824673.db2.gz IBYHQVCPVPAWGA-AWEZNQCLSA-N -1 3 357.429 3.373 20 10 FGCDHM Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)c([O-])c1O ZINC000267541917 497575253 /nfs/dbraw/zinc/57/52/53/497575253.db2.gz AJDWDBWJRGXTSS-MRXNPFEDSA-N -1 3 351.406 3.270 20 10 FGCDHM COc1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1[O-] ZINC000289857892 498325012 /nfs/dbraw/zinc/32/50/12/498325012.db2.gz VIEPGHQXWQQLCP-PWSUYJOCSA-N -1 3 353.768 3.047 20 10 FGCDHM CCOc1ccc([C@@H](O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000291047863 498772674 /nfs/dbraw/zinc/77/26/74/498772674.db2.gz JEQWWFVYUXBHCB-LJQANCHMSA-N -1 3 371.433 3.082 20 10 FGCDHM C[C@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000367085841 499146613 /nfs/dbraw/zinc/14/66/13/499146613.db2.gz RNIDMSQSHCSWDX-BLLLJJGKSA-N -1 3 360.841 3.336 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC(c3nnc4ccccn43)CC2)c1[O-] ZINC000370170227 499191741 /nfs/dbraw/zinc/19/17/41/499191741.db2.gz STJXBHWUDMFQHT-UHFFFAOYSA-N -1 3 368.412 3.156 20 10 FGCDHM CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000378007541 499754738 /nfs/dbraw/zinc/75/47/38/499754738.db2.gz QEGPYYQBTJFSGE-QZTJIDSGSA-N -1 3 362.445 3.099 20 10 FGCDHM O=C(NCc1cc(Cl)ccc1[O-])[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000529511053 504704581 /nfs/dbraw/zinc/70/45/81/504704581.db2.gz FYWFDTNCVSNCIV-NSHDSACASA-N -1 3 373.762 3.455 20 10 FGCDHM Cc1cc(C(=O)N2CCC[C@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234599 598609873 /nfs/dbraw/zinc/60/98/73/598609873.db2.gz NSVZJSXDHVPSDH-ZDUSSCGKSA-N -1 3 364.453 3.146 20 10 FGCDHM Cc1cc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737400523 598611148 /nfs/dbraw/zinc/61/11/48/598611148.db2.gz VCZFCXUUQBSESH-UHFFFAOYSA-N -1 3 373.420 3.230 20 10 FGCDHM O=C([O-])Nc1ccc(CNCc2ccc(N3CCSCC3)cc2)cn1 ZINC000832841502 603540277 /nfs/dbraw/zinc/54/02/77/603540277.db2.gz DESYPMXRENKDBD-UHFFFAOYSA-N -1 3 358.467 3.015 20 10 FGCDHM Cc1c(Cl)cnc(NCc2ccc(N3CC=CC3)cc2)c1-c1nnn[n-]1 ZINC000826240165 609558499 /nfs/dbraw/zinc/55/84/99/609558499.db2.gz GTKHLCOHEDYRLH-UHFFFAOYSA-N -1 3 367.844 3.212 20 10 FGCDHM Cc1c(Cl)cnc(NCc2ccc(N3CC=CC3)cc2)c1-c1nn[n-]n1 ZINC000826240165 609558501 /nfs/dbraw/zinc/55/85/01/609558501.db2.gz GTKHLCOHEDYRLH-UHFFFAOYSA-N -1 3 367.844 3.212 20 10 FGCDHM Cc1noc(C)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134260787 704818001 /nfs/dbraw/zinc/81/80/01/704818001.db2.gz VEAGTLILHZKEOU-OAHLLOKOSA-N -1 3 363.845 3.045 20 10 FGCDHM CC(=O)[N-]OCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000176861999 705594014 /nfs/dbraw/zinc/59/40/14/705594014.db2.gz LHXQPBADVLETJH-UHFFFAOYSA-N -1 3 354.328 3.363 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000769382737 723683867 /nfs/dbraw/zinc/68/38/67/723683867.db2.gz VLMGEUBWVSAOPO-ZYHUDNBSSA-N -1 3 354.166 3.042 20 10 FGCDHM Cc1cc(Br)c([O-])c([C@H]2NC(=N)Nc3nc4ccccc4n32)c1 ZINC000781554226 724573979 /nfs/dbraw/zinc/57/39/79/724573979.db2.gz IWPZCIQDENNTHS-AWEZNQCLSA-N -1 3 372.226 3.310 20 10 FGCDHM COC(=O)CN(Cc1ccc2c(c1)CCO2)Cc1cc(Cl)ccc1[O-] ZINC000732203278 722482439 /nfs/dbraw/zinc/48/24/39/722482439.db2.gz UVIFCRHYFVBNED-UHFFFAOYSA-N -1 3 361.825 3.156 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](N3CCCCC3=O)C2)c1[O-] ZINC000750044744 722752890 /nfs/dbraw/zinc/75/28/90/722752890.db2.gz JPQCLNHNUWSIQX-INIZCTEOSA-N -1 3 364.873 3.225 20 10 FGCDHM CN(C[C@@H]1C[C@H](F)CN1Cc1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000793618616 723455929 /nfs/dbraw/zinc/45/59/29/723455929.db2.gz VWODXESIPNAFBR-GJZGRUSLSA-N -1 3 356.413 3.311 20 10 FGCDHM CCS(=O)(=O)c1ccc(CN[C@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC000794827996 723547924 /nfs/dbraw/zinc/54/79/24/723547924.db2.gz NPPRYBSDKNZXGV-SECBINFHSA-N -1 3 361.435 3.376 20 10 FGCDHM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000775285743 723975909 /nfs/dbraw/zinc/97/59/09/723975909.db2.gz AAXIDNKUZLTLKW-UHFFFAOYSA-N -1 3 359.403 3.160 20 10 FGCDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)ccc1C ZINC000775292223 723977678 /nfs/dbraw/zinc/97/76/78/723977678.db2.gz WNMNMHYAYDSEGG-UHFFFAOYSA-N -1 3 363.435 3.213 20 10 FGCDHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000777651077 724247926 /nfs/dbraw/zinc/24/79/26/724247926.db2.gz NGLUOQLMDMYPTD-UHFFFAOYSA-N -1 3 364.423 3.297 20 10 FGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](OC)c1ccccc1 ZINC000801932621 724347725 /nfs/dbraw/zinc/34/77/25/724347725.db2.gz RUZWOPHBCRSFLI-SFHVURJKSA-N -1 3 363.841 3.408 20 10 FGCDHM O=[N+]([O-])c1ccn(C2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)n1 ZINC000787289849 725023848 /nfs/dbraw/zinc/02/38/48/725023848.db2.gz ZKENNQJUNAPJJA-UHFFFAOYSA-N -1 3 354.769 3.127 20 10 FGCDHM CCOC(=O)[C@@H](CC)N(Cc1cccc(Br)c1[O-])C1CC1 ZINC000787441741 725028404 /nfs/dbraw/zinc/02/84/04/725028404.db2.gz ZGTOCTHKEQQXGT-CQSZACIVSA-N -1 3 356.260 3.461 20 10 FGCDHM COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000787626570 725033662 /nfs/dbraw/zinc/03/36/62/725033662.db2.gz NKSFLYDCYUBKLW-SECBINFHSA-N -1 3 366.211 3.360 20 10 FGCDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2ncc(Br)cn2)c1[O-] ZINC000814654645 726990216 /nfs/dbraw/zinc/99/02/16/726990216.db2.gz FCIGMDBBFMQWQG-QMMMGPOBSA-N -1 3 368.206 3.137 20 10 FGCDHM Cc1ccnc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)c1 ZINC000824596206 729349720 /nfs/dbraw/zinc/34/97/20/729349720.db2.gz CLMYAQKFFLXBJU-UHFFFAOYSA-N -1 3 362.271 3.180 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000824767745 729358410 /nfs/dbraw/zinc/35/84/10/729358410.db2.gz APFBYOUGSUXKFE-ZYHUDNBSSA-N -1 3 354.166 3.042 20 10 FGCDHM CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cccc(Cl)c2[O-])CCCO1 ZINC000835081584 729857342 /nfs/dbraw/zinc/85/73/42/729857342.db2.gz JUFMWQBYKXVPQY-AWEZNQCLSA-N -1 3 370.877 3.161 20 10 FGCDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841454444 730245076 /nfs/dbraw/zinc/24/50/76/730245076.db2.gz ZDJQLENTYFKSPJ-HUUCEWRRSA-N -1 3 368.499 3.051 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2ccc3c(n2)OCCO3)c1 ZINC000849347961 731251083 /nfs/dbraw/zinc/25/10/83/731251083.db2.gz WABONUHWCTUXFN-UHFFFAOYSA-N -1 3 351.200 3.241 20 10 FGCDHM CC(C)OCc1nc([C@H](C)NCc2c([O-])cccc2Br)no1 ZINC000862371046 732818638 /nfs/dbraw/zinc/81/86/38/732818638.db2.gz AUYVAOWLOATWJA-JTQLQIEISA-N -1 3 370.247 3.314 20 10 FGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(O[C@H]2CCOC2)CC1 ZINC000894076595 742235212 /nfs/dbraw/zinc/23/52/12/742235212.db2.gz PHMOTOIKPXRYLW-AWEZNQCLSA-N -1 3 374.250 3.064 20 10 FGCDHM CCCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000076937928 493992650 /nfs/dbraw/zinc/99/26/50/493992650.db2.gz YAZZNBXBPMLLFQ-UHFFFAOYSA-N -1 3 368.480 3.029 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2nncn2CC(C)C)c1[O-] ZINC000079443411 494455836 /nfs/dbraw/zinc/45/58/36/494455836.db2.gz SATWXLQYGMCFDW-KRWDZBQOSA-N -1 3 360.433 3.319 20 10 FGCDHM [O-]c1ccccc1CN(Cc1nc(-c2ccco2)no1)C[C@@H]1CCCO1 ZINC000109761790 494915690 /nfs/dbraw/zinc/91/56/90/494915690.db2.gz KWNOCKRMTAEQCZ-HNNXBMFYSA-N -1 3 355.394 3.216 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCC(O)(C(F)(F)F)CC1 ZINC000136855362 495406176 /nfs/dbraw/zinc/40/61/76/495406176.db2.gz NFXNQLWXPCZLOZ-UHFFFAOYSA-N -1 3 354.166 3.044 20 10 FGCDHM CCc1nn(C)c(OC)c1CN[C@@H](C)c1ccc(Br)cc1[O-] ZINC000185867043 495756833 /nfs/dbraw/zinc/75/68/33/495756833.db2.gz AWCTZMOSDPDMNM-JTQLQIEISA-N -1 3 368.275 3.310 20 10 FGCDHM C[C@@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc(F)ccc1[O-] ZINC000186261268 495918792 /nfs/dbraw/zinc/91/87/92/495918792.db2.gz LSSNLECALLGCGY-CQSZACIVSA-N -1 3 358.413 3.106 20 10 FGCDHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000163693301 496547140 /nfs/dbraw/zinc/54/71/40/496547140.db2.gz QOOHOFAQTCKTNX-INIZCTEOSA-N -1 3 374.412 3.128 20 10 FGCDHM CC1(C)C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C(C)(C)O1 ZINC000277508018 496797095 /nfs/dbraw/zinc/79/70/95/496797095.db2.gz VZWAIAZSTVOZKD-AWEZNQCLSA-N -1 3 366.845 3.156 20 10 FGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@H]1CCCc2occc21 ZINC000277537017 496804875 /nfs/dbraw/zinc/80/48/75/496804875.db2.gz YXMIYHPPMMGVAC-AWEZNQCLSA-N -1 3 360.797 3.480 20 10 FGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CCCc2occc21 ZINC000277537021 496805205 /nfs/dbraw/zinc/80/52/05/496805205.db2.gz YXMIYHPPMMGVAC-CQSZACIVSA-N -1 3 360.797 3.480 20 10 FGCDHM C[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1[O-] ZINC000273612117 496853722 /nfs/dbraw/zinc/85/37/22/496853722.db2.gz WGZSSRNUPPACGJ-QWHCGFSZSA-N -1 3 366.458 3.193 20 10 FGCDHM Cn1cc([C@@H]2CSCCN2Cc2cc(Br)ccc2[O-])cn1 ZINC000191743569 496874967 /nfs/dbraw/zinc/87/49/67/496874967.db2.gz CKJPPAQVCLXNAX-AWEZNQCLSA-N -1 3 368.300 3.178 20 10 FGCDHM COc1c([O-])c(CN2CCC(OCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278151600 497022143 /nfs/dbraw/zinc/02/21/43/497022143.db2.gz CKVMTSUQUJKQEM-UHFFFAOYSA-N -1 3 372.421 3.490 20 10 FGCDHM COc1c([O-])c(CNc2ccc(N3CCOCC3)c(C)c2)ccc1[N+](=O)[O-] ZINC000278302623 497068306 /nfs/dbraw/zinc/06/83/06/497068306.db2.gz DCULKYZRVZWEMC-UHFFFAOYSA-N -1 3 373.409 3.066 20 10 FGCDHM O=C(c1ccsc1)N1CCCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271144676 497273099 /nfs/dbraw/zinc/27/30/99/497273099.db2.gz ZQLACKBOTKHWFD-UHFFFAOYSA-N -1 3 350.871 3.455 20 10 FGCDHM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])cc1OC ZINC000267631909 497591674 /nfs/dbraw/zinc/59/16/74/497591674.db2.gz XHHIAFKYVULYJT-HNNXBMFYSA-N -1 3 357.406 3.401 20 10 FGCDHM CCc1cnc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)s1 ZINC000285896768 498234675 /nfs/dbraw/zinc/23/46/75/498234675.db2.gz HIWCKOJWYBJOOL-UHFFFAOYSA-N -1 3 351.815 3.033 20 10 FGCDHM Cc1cc(Br)cc(CN2CCOC[C@H]2CC(F)F)c1[O-] ZINC000289718890 498262994 /nfs/dbraw/zinc/26/29/94/498262994.db2.gz PFBKTFVIEIUILD-GFCCVEGCSA-N -1 3 350.203 3.319 20 10 FGCDHM CC[C@@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc(F)cc1[O-] ZINC000286147720 498306093 /nfs/dbraw/zinc/30/60/93/498306093.db2.gz OSFGZJLLYQFDTJ-LJQANCHMSA-N -1 3 372.440 3.496 20 10 FGCDHM CCn1cnnc1[C@H]1CN([C@@H](C)c2ccc3ccccc3c2[O-])CCO1 ZINC000365525682 498513477 /nfs/dbraw/zinc/51/34/77/498513477.db2.gz CWPKKLMKOUOQTH-KBXCAEBGSA-N -1 3 352.438 3.291 20 10 FGCDHM COCCn1cc2c(n1)[C@H](NCc1c([O-])ccc(Cl)c1F)CCC2 ZINC000370464195 499223028 /nfs/dbraw/zinc/22/30/28/499223028.db2.gz URRVGOVVMDLBNB-CQSZACIVSA-N -1 3 353.825 3.195 20 10 FGCDHM CC(=O)c1cc(F)cc(CN[C@H](c2cnn(C)c2)c2ccccc2)c1[O-] ZINC000371752008 499361383 /nfs/dbraw/zinc/36/13/83/499361383.db2.gz DIZOSLTZIFUHNE-IBGZPJMESA-N -1 3 353.397 3.347 20 10 FGCDHM C[C@H]1CC[S@](=O)CCN1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000375933578 499569873 /nfs/dbraw/zinc/56/98/73/499569873.db2.gz RTABABPCNASGCR-LMKMVOKYSA-N -1 3 359.491 3.314 20 10 FGCDHM CC[C@H](c1ccccc1[O-])N1CCOC[C@@H]1c1ncn(CC(F)(F)F)n1 ZINC000377667099 499717612 /nfs/dbraw/zinc/71/76/12/499717612.db2.gz AEEKGCVHKIMEEF-ZIAGYGMSSA-N -1 3 370.375 3.071 20 10 FGCDHM O=C(NCc1cc(Cl)ccc1[O-])[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000529511051 504704086 /nfs/dbraw/zinc/70/40/86/504704086.db2.gz FYWFDTNCVSNCIV-LLVKDONJSA-N -1 3 373.762 3.455 20 10 FGCDHM CC[C@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(C)C ZINC000736360967 598611567 /nfs/dbraw/zinc/61/15/67/598611567.db2.gz DOTVYBSXSFBIMH-SFHVURJKSA-N -1 3 366.469 3.439 20 10 FGCDHM O=C([O-])N[C@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000740597106 602424233 /nfs/dbraw/zinc/42/42/33/602424233.db2.gz UQYMRHBOOWFHFC-LBPRGKRZSA-N -1 3 365.227 3.150 20 10 FGCDHM O=C([O-])N[C@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000740597106 602424234 /nfs/dbraw/zinc/42/42/34/602424234.db2.gz UQYMRHBOOWFHFC-LBPRGKRZSA-N -1 3 365.227 3.150 20 10 FGCDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820122081 606492053 /nfs/dbraw/zinc/49/20/53/606492053.db2.gz ZBAOUFOILLKFBX-UHFFFAOYSA-N -1 3 370.482 3.045 20 10 FGCDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820122081 606492054 /nfs/dbraw/zinc/49/20/54/606492054.db2.gz ZBAOUFOILLKFBX-UHFFFAOYSA-N -1 3 370.482 3.045 20 10 FGCDHM O=C1N[C@@H](c2cc(O)cc(Br)c2[O-])Nc2cc(Cl)ccc21 ZINC000124718251 700723985 /nfs/dbraw/zinc/72/39/85/700723985.db2.gz FKDPYDOLMBPFPB-ZDUSSCGKSA-N -1 3 369.602 3.368 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCCN(CC(F)(F)F)CC1 ZINC000129432295 700787978 /nfs/dbraw/zinc/78/79/78/700787978.db2.gz KOLBFKBVGLNDHM-UHFFFAOYSA-N -1 3 367.209 3.225 20 10 FGCDHM CCCn1c(C)nnc1CN(CC)Cc1cc(Br)ccc1[O-] ZINC000160100745 705243976 /nfs/dbraw/zinc/24/39/76/705243976.db2.gz WPNBYUWLMFTGOI-UHFFFAOYSA-N -1 3 367.291 3.487 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000781907776 724610634 /nfs/dbraw/zinc/61/06/34/724610634.db2.gz IOGDVQIIYKHLKW-UONOGXRCSA-N -1 3 358.301 3.169 20 10 FGCDHM CCOC(=O)[C@H](CC)N(Cc1cc(Br)ccc1[O-])C1CC1 ZINC000787440375 725028389 /nfs/dbraw/zinc/02/83/89/725028389.db2.gz LUUKWDTVOISFAX-AWEZNQCLSA-N -1 3 356.260 3.461 20 10 FGCDHM C[C@H](CCC1CCCCC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000734552107 722508395 /nfs/dbraw/zinc/50/83/95/722508395.db2.gz ANZISEVWAKGKRE-CYBMUJFWSA-N -1 3 368.499 3.243 20 10 FGCDHM C[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756711149 722968927 /nfs/dbraw/zinc/96/89/27/722968927.db2.gz IRIPEAUXIBDRRW-MEBBXXQBSA-N -1 3 350.340 3.266 20 10 FGCDHM CCc1nnc([C@@H](C)N[C@H](C)c2cc(Br)c(F)cc2[O-])[nH]1 ZINC000756779206 722970036 /nfs/dbraw/zinc/97/00/36/722970036.db2.gz RAOQPSPQKXRYNN-HTQZYQBOSA-N -1 3 357.227 3.386 20 10 FGCDHM CCC1(CC)CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000789876522 723080264 /nfs/dbraw/zinc/08/02/64/723080264.db2.gz FHLRMLCDPMGJQQ-UHFFFAOYSA-N -1 3 368.499 3.243 20 10 FGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cc(F)ccc1N1CCOCC1 ZINC000790971105 723200845 /nfs/dbraw/zinc/20/08/45/723200845.db2.gz OTGZYSOAYJWEOJ-UHFFFAOYSA-N -1 3 368.811 3.450 20 10 FGCDHM O=C1C[C@@H](NCc2c([O-])ccc(Cl)c2F)CN1c1c(F)cccc1F ZINC000790982673 723202245 /nfs/dbraw/zinc/20/22/45/723202245.db2.gz WPONMBJLPIWACL-SECBINFHSA-N -1 3 370.758 3.358 20 10 FGCDHM COC(=O)[C@@H](C)N(Cc1cc(C)cc(Br)c1[O-])C1CCC1 ZINC000792188999 723319656 /nfs/dbraw/zinc/31/96/56/723319656.db2.gz ZQFAYQBDLHSTKR-LLVKDONJSA-N -1 3 356.260 3.379 20 10 FGCDHM Cc1ccc(CN(CCO)Cc2cc(C)cc(Br)c2[O-])o1 ZINC000793366346 723430795 /nfs/dbraw/zinc/43/07/95/723430795.db2.gz RQVJWKAAALCDQU-UHFFFAOYSA-N -1 3 354.244 3.359 20 10 FGCDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2CC)ccc1C ZINC000795355242 723584566 /nfs/dbraw/zinc/58/45/66/723584566.db2.gz XIACGAZUTXZUFI-UHFFFAOYSA-N -1 3 363.435 3.241 20 10 FGCDHM COC(=O)CN(Cc1ncc(Cl)s1)Cc1cc(Cl)ccc1[O-] ZINC000770635312 723717989 /nfs/dbraw/zinc/71/79/89/723717989.db2.gz TTWYNOIDQBHTGA-UHFFFAOYSA-N -1 3 361.250 3.331 20 10 FGCDHM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cccc(O)c1[O-] ZINC000776338438 724134240 /nfs/dbraw/zinc/13/42/40/724134240.db2.gz IHEYJTAXOUVFIP-JTQLQIEISA-N -1 3 355.312 3.314 20 10 FGCDHM COCCN(Cc1ccccn1)Cc1cccc(Br)c1[O-] ZINC000809734947 725263657 /nfs/dbraw/zinc/26/36/57/725263657.db2.gz UEZHDGLJCPUYKP-UHFFFAOYSA-N -1 3 351.244 3.198 20 10 FGCDHM COCCN(Cc1cccnc1)Cc1cccc(Br)c1[O-] ZINC000809741363 725264193 /nfs/dbraw/zinc/26/41/93/725264193.db2.gz NQRLUVHIJOQGNZ-UHFFFAOYSA-N -1 3 351.244 3.198 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN(CCCO)Cc2ccccn2)c1 ZINC000809746683 725264659 /nfs/dbraw/zinc/26/46/59/725264659.db2.gz XRYDTQDAIURNNK-UHFFFAOYSA-N -1 3 365.271 3.243 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000811519775 725372368 /nfs/dbraw/zinc/37/23/68/725372368.db2.gz DQLZLZRPWHMIMN-CYBMUJFWSA-N -1 3 356.651 3.452 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCCN(CC(F)(F)F)CC1 ZINC000824556443 729347129 /nfs/dbraw/zinc/34/71/29/729347129.db2.gz UHERQJCSLQSLPE-UHFFFAOYSA-N -1 3 367.209 3.225 20 10 FGCDHM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000840916268 730190971 /nfs/dbraw/zinc/19/09/71/730190971.db2.gz YXTGNDFVCATZGH-UHFFFAOYSA-N -1 3 365.451 3.374 20 10 FGCDHM O=C([O-])C1CCC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000840994523 730201689 /nfs/dbraw/zinc/20/16/89/730201689.db2.gz MLWCNBDKHZWGNS-QWFMPGPPSA-N -1 3 366.889 3.243 20 10 FGCDHM O=C([O-])[C@@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000840995425 730201792 /nfs/dbraw/zinc/20/17/92/730201792.db2.gz LGBBIHYAXUNTRC-CQSZACIVSA-N -1 3 367.287 3.346 20 10 FGCDHM CCCCC[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000856270795 732001858 /nfs/dbraw/zinc/00/18/58/732001858.db2.gz TXICHAOSQUSAEZ-OAHLLOKOSA-N -1 3 368.499 3.339 20 10 FGCDHM [O-]c1cccc(Br)c1CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000862246557 732797231 /nfs/dbraw/zinc/79/72/31/732797231.db2.gz QMOVAOAUDGZDMP-QGZVFWFLSA-N -1 3 364.239 3.434 20 10 FGCDHM O=S(=O)(NC1CC1)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000863986373 733021905 /nfs/dbraw/zinc/02/19/05/733021905.db2.gz MAGSDVJJJZRBHS-UHFFFAOYSA-N -1 3 352.843 3.098 20 10 FGCDHM COc1ccccc1[C@H]1CSCCCN1C(=O)c1cccc(O)c1[O-] ZINC000874922739 735946954 /nfs/dbraw/zinc/94/69/54/735946954.db2.gz PMFFFEJIRJYIEB-OAHLLOKOSA-N -1 3 359.447 3.427 20 10 FGCDHM C[C@@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1c([O-])cccc1F ZINC000886495154 739263119 /nfs/dbraw/zinc/26/31/19/739263119.db2.gz KAERPHZSYNMPAN-SECBINFHSA-N -1 3 354.307 3.444 20 10 FGCDHM C[C@H](N[C@@H](C)c1c([O-])cccc1F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000886520399 739264493 /nfs/dbraw/zinc/26/44/93/739264493.db2.gz DAAUAUNHQMAHGX-STQMWFEESA-N -1 3 366.458 3.193 20 10 FGCDHM O=C(Cc1csc(CCC(F)(F)F)n1)NCc1c([O-])cccc1F ZINC000928710242 760242864 /nfs/dbraw/zinc/24/28/64/760242864.db2.gz QZYNMHXEUQAXBV-UHFFFAOYSA-N -1 3 362.348 3.342 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H](C)CCOC ZINC000073978726 494460989 /nfs/dbraw/zinc/46/09/89/494460989.db2.gz MOEWVGFBDPAIJT-LLVKDONJSA-N -1 3 359.264 3.111 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC(OC[C@@H]3CCCCO3)CC2)c1[O-] ZINC000079498268 494466355 /nfs/dbraw/zinc/46/63/55/494466355.db2.gz WZVWLOZYHGNHBE-SFHVURJKSA-N -1 3 365.445 3.284 20 10 FGCDHM C[C@@H](C(=O)Nc1ccccc1OC(F)F)N(C)Cc1ccccc1[O-] ZINC000109772888 494916734 /nfs/dbraw/zinc/91/67/34/494916734.db2.gz SFASSFLKFZLYHR-LBPRGKRZSA-N -1 3 350.365 3.453 20 10 FGCDHM C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(C)Cc1ccccc1[O-] ZINC000111235875 495052624 /nfs/dbraw/zinc/05/26/24/495052624.db2.gz LKJZSZXZHLPZPT-MRXNPFEDSA-N -1 3 353.466 3.451 20 10 FGCDHM CCCCNC(=O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000154708531 495702817 /nfs/dbraw/zinc/70/28/17/495702817.db2.gz RTYSVGWEDGGKFW-UHFFFAOYSA-N -1 3 369.849 3.082 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000177177646 495961669 /nfs/dbraw/zinc/96/16/69/495961669.db2.gz SKSGHPPHFOXJAP-ZDUSSCGKSA-N -1 3 374.872 3.166 20 10 FGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CCCc1ccc(O)cc1 ZINC000277435032 496772131 /nfs/dbraw/zinc/77/21/31/496772131.db2.gz QGFHQWQNLHDVQM-UHFFFAOYSA-N -1 3 374.824 3.148 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccccc2SCCC(N)=O)c1 ZINC000273389792 496792041 /nfs/dbraw/zinc/79/20/41/496792041.db2.gz DLBOXJBQHREVKJ-GFCCVEGCSA-N -1 3 374.462 3.319 20 10 FGCDHM C[C@@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1ccc(F)cc1[O-] ZINC000273426766 496803027 /nfs/dbraw/zinc/80/30/27/496803027.db2.gz UMXBATUBECLZHD-SECBINFHSA-N -1 3 354.307 3.444 20 10 FGCDHM C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N(C)Cc1ccccc1[O-] ZINC000264753261 496978062 /nfs/dbraw/zinc/97/80/62/496978062.db2.gz WXMOOTWUGFITIQ-OAHLLOKOSA-N -1 3 351.450 3.053 20 10 FGCDHM COC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(F)c(F)c1 ZINC000278502933 497135866 /nfs/dbraw/zinc/13/58/66/497135866.db2.gz OGLXGDPTBXVZRK-CQSZACIVSA-N -1 3 368.336 3.065 20 10 FGCDHM Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4cccc(O)c4[O-])C3)nc2c1 ZINC000192998671 497270330 /nfs/dbraw/zinc/27/03/30/497270330.db2.gz QETDZKZJWLRCIB-CYBMUJFWSA-N -1 3 351.406 3.302 20 10 FGCDHM Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cccc(O)c4[O-])C3)[nH]c2c1 ZINC000192998671 497270334 /nfs/dbraw/zinc/27/03/34/497270334.db2.gz QETDZKZJWLRCIB-CYBMUJFWSA-N -1 3 351.406 3.302 20 10 FGCDHM COc1c([O-])c(CN[C@@H](c2ccccc2)[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278938327 497273717 /nfs/dbraw/zinc/27/37/17/497273717.db2.gz XHSBPLONIMFVRX-SJORKVTESA-N -1 3 358.394 3.319 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000266858680 497433013 /nfs/dbraw/zinc/43/30/13/497433013.db2.gz YOWBQEIMUFPWSZ-VXGBXAGGSA-N -1 3 371.275 3.111 20 10 FGCDHM C[C@H](N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000191189315 497737565 /nfs/dbraw/zinc/73/75/65/497737565.db2.gz ZZNXFWMJOSWQHT-KBXCAEBGSA-N -1 3 362.420 3.395 20 10 FGCDHM Cc1cc(NC(=O)C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)no1 ZINC000191203084 497742832 /nfs/dbraw/zinc/74/28/32/497742832.db2.gz HGQGEYPBRYTDBX-UHFFFAOYSA-N -1 3 367.808 3.332 20 10 FGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@H](Nc2ccc3nccnc3n2)C1 ZINC000301257501 498025015 /nfs/dbraw/zinc/02/50/15/498025015.db2.gz UGTFNQDEDRZRSS-HNNXBMFYSA-N -1 3 369.856 3.460 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccnc(C(F)(F)F)c2)c1 ZINC000296456492 498051172 /nfs/dbraw/zinc/05/11/72/498051172.db2.gz NAVWUPGZGZFMKH-SNVBAGLBSA-N -1 3 354.328 3.443 20 10 FGCDHM O=C([C@@H]1CC12CCN(Cc1c([O-])ccc(Cl)c1F)CC2)N1CCCC1 ZINC000365250619 498373381 /nfs/dbraw/zinc/37/33/81/498373381.db2.gz AHUFRSXENYMZBS-AWEZNQCLSA-N -1 3 366.864 3.409 20 10 FGCDHM COc1cccc([C@@H](NC(=O)c2cccc(O)c2[O-])c2ccccn2)c1 ZINC000366166069 498804043 /nfs/dbraw/zinc/80/40/43/498804043.db2.gz AQIOWGIKRZIRAM-GOSISDBHSA-N -1 3 350.374 3.021 20 10 FGCDHM [O-]c1ccccc1CN(Cc1cnn(CC(F)F)c1)C[C@H]1CCCO1 ZINC000294862054 498830731 /nfs/dbraw/zinc/83/07/31/498830731.db2.gz JNAALDXPEZGBJE-MRXNPFEDSA-N -1 3 351.397 3.035 20 10 FGCDHM CCCOc1ccc(CN[C@@H](c2nc(C)no2)C2CCOCC2)c([O-])c1 ZINC000370158408 499189587 /nfs/dbraw/zinc/18/95/87/499189587.db2.gz CLHFEYQZNAVLCE-GOSISDBHSA-N -1 3 361.442 3.130 20 10 FGCDHM O=C(N[C@@H](c1cccnc1)c1ccc(F)c(F)c1)c1cccc(O)c1[O-] ZINC000370499226 499226203 /nfs/dbraw/zinc/22/62/03/499226203.db2.gz LDQZEFTVHIJXED-QGZVFWFLSA-N -1 3 356.328 3.290 20 10 FGCDHM COCCc1noc(CC2CCN(Cc3c([O-])cccc3Cl)CC2)n1 ZINC000529640529 504750506 /nfs/dbraw/zinc/75/05/06/504750506.db2.gz NCBWXPVCTWQWBG-UHFFFAOYSA-N -1 3 365.861 3.072 20 10 FGCDHM Cc1cc(C(=O)NC[C@H](C)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234952 598612027 /nfs/dbraw/zinc/61/20/27/598612027.db2.gz PATKNYJGRCFQPO-LBPRGKRZSA-N -1 3 364.453 3.050 20 10 FGCDHM Cc1cc(C(=O)NC[C@@H]2CC2(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235088 598769350 /nfs/dbraw/zinc/76/93/50/598769350.db2.gz QJPKJQDPGHGDJX-HNNXBMFYSA-N -1 3 364.453 3.050 20 10 FGCDHM Cc1cc(C(=O)N2CC[C@H](C)[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167752 606581662 /nfs/dbraw/zinc/58/16/62/606581662.db2.gz HPUWLBFQIXHLQI-JSGCOSHPSA-N -1 3 364.453 3.145 20 10 FGCDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000091920898 700428568 /nfs/dbraw/zinc/42/85/68/700428568.db2.gz UNPIOSLWHJSJAW-GDBMZVCRSA-N -1 3 353.871 3.432 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000769382736 723683800 /nfs/dbraw/zinc/68/38/00/723683800.db2.gz VLMGEUBWVSAOPO-CMPLNLGQSA-N -1 3 354.166 3.042 20 10 FGCDHM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(Br)ccc1[O-] ZINC000769494960 723687244 /nfs/dbraw/zinc/68/72/44/723687244.db2.gz CUMVHPYWVURWKQ-HOTGVXAUSA-N -1 3 369.303 3.376 20 10 FGCDHM COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000780794409 724501538 /nfs/dbraw/zinc/50/15/38/724501538.db2.gz RMFBRRZQQWUTLP-NSHDSACASA-N -1 3 353.465 3.162 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(O[C@@H]3CCOC3)CC2)c1[O-] ZINC000750058122 722753283 /nfs/dbraw/zinc/75/32/83/722753283.db2.gz QXMQHCQMLHALAO-MRXNPFEDSA-N -1 3 353.846 3.018 20 10 FGCDHM COc1ccc(Br)c(CN(C)C(=O)c2cccc(O)c2[O-])c1 ZINC000760550263 723063662 /nfs/dbraw/zinc/06/36/62/723063662.db2.gz ZYIZHSWOXGKHQX-UHFFFAOYSA-N -1 3 366.211 3.141 20 10 FGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1nc(-c2ccc(Cl)cc2)no1 ZINC000790809925 723180548 /nfs/dbraw/zinc/18/05/48/723180548.db2.gz CJADYBBWMOASFK-VIFPVBQESA-N -1 3 359.769 3.292 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000775148221 723964114 /nfs/dbraw/zinc/96/41/14/723964114.db2.gz ZJKDVTIVNQCAOO-ZWNOBZJWSA-N -1 3 368.193 3.290 20 10 FGCDHM Cc1cc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)ccc1O ZINC000776748495 724178682 /nfs/dbraw/zinc/17/86/82/724178682.db2.gz LGSMATFJFKXYFA-JTQLQIEISA-N -1 3 353.827 3.478 20 10 FGCDHM COC(=O)CN(Cc1ccc(Cl)cn1)Cc1cc(Cl)ccc1[O-] ZINC000778219662 724312179 /nfs/dbraw/zinc/31/21/79/724312179.db2.gz JFJUAUYILCFBQF-UHFFFAOYSA-N -1 3 355.221 3.269 20 10 FGCDHM COCc1nc(CNCc2cc(C)cc(Br)c2[O-])cs1 ZINC000810170078 725294303 /nfs/dbraw/zinc/29/43/03/725294303.db2.gz FCWCFSYCOODQRL-UHFFFAOYSA-N -1 3 357.273 3.356 20 10 FGCDHM O=C1C[C@@H](NCc2c([O-])ccc(Cl)c2F)CN1c1ccccc1F ZINC000812783096 726811267 /nfs/dbraw/zinc/81/12/67/726811267.db2.gz YHQCFJLXCDYRRN-SNVBAGLBSA-N -1 3 352.768 3.219 20 10 FGCDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000824554999 729346868 /nfs/dbraw/zinc/34/68/68/729346868.db2.gz ALBHOXPFXQZKJA-CYBMUJFWSA-N -1 3 371.275 3.254 20 10 FGCDHM Cc1cc([O-])c(CN(C)Cc2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000824855854 729362577 /nfs/dbraw/zinc/36/25/77/729362577.db2.gz QVOKYLBBGAQVDY-UHFFFAOYSA-N -1 3 353.871 3.390 20 10 FGCDHM COc1ccc(OC)c2c1CN(Cc1c([O-])cc(C)cc1Cl)C[C@H]2O ZINC000840910921 730190346 /nfs/dbraw/zinc/19/03/46/730190346.db2.gz XFRWVMZRHWOJSS-MRXNPFEDSA-N -1 3 363.841 3.420 20 10 FGCDHM Cc1cc([O-])c(CN2CCS(=O)(=O)C3(CCCCC3)C2)c(Cl)c1 ZINC000840920823 730191776 /nfs/dbraw/zinc/19/17/76/730191776.db2.gz ZOLVUQBMDRIPIV-UHFFFAOYSA-N -1 3 357.903 3.287 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN[C@H](C)c2nnc3n2CCCCC3)c1[O-] ZINC000851929279 731520391 /nfs/dbraw/zinc/52/03/91/731520391.db2.gz IFBGJYYNLHADEI-LLVKDONJSA-N -1 3 362.861 3.417 20 10 FGCDHM [O-]c1cccc(Br)c1CNCc1nccn1CC(F)(F)F ZINC000858122447 732182903 /nfs/dbraw/zinc/18/29/03/732182903.db2.gz NNFVRLZPESNKMT-UHFFFAOYSA-N -1 3 364.165 3.203 20 10 FGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@@H](C(F)(F)F)O1 ZINC000862247675 732797234 /nfs/dbraw/zinc/79/72/34/732797234.db2.gz AAQXHQXFANFVJZ-PELKAZGASA-N -1 3 354.166 3.306 20 10 FGCDHM CCO[C@@H](C)c1noc(CN(C)Cc2c([O-])cccc2Br)n1 ZINC000862248770 732797826 /nfs/dbraw/zinc/79/78/26/732797826.db2.gz AESJQLWOQSDJBL-JTQLQIEISA-N -1 3 370.247 3.267 20 10 FGCDHM CCc1cc(S(=O)(=O)[N-]c2ccc(O)cc2COC)c(C)cc1OC ZINC000872375642 735621825 /nfs/dbraw/zinc/62/18/25/735621825.db2.gz NDHYOAYPXLASPX-UHFFFAOYSA-N -1 3 365.451 3.219 20 10 FGCDHM CO[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3[O-])Cc3cccnc3N2C1 ZINC000877688228 736704712 /nfs/dbraw/zinc/70/47/12/736704712.db2.gz RPMIIGCELVUKCV-JKSUJKDBSA-N -1 3 359.857 3.050 20 10 FGCDHM COc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(Br)cc1[O-])N2 ZINC000877851401 736735303 /nfs/dbraw/zinc/73/53/03/736735303.db2.gz CRPNGPOWAJNWTL-OAHLLOKOSA-N -1 3 363.211 3.360 20 10 FGCDHM Cn1ccnc1[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894572064 742300760 /nfs/dbraw/zinc/30/07/60/742300760.db2.gz CZJQJBDQXDPYRX-LLVKDONJSA-N -1 3 368.250 3.407 20 10 FGCDHM Cc1c2nnc(C(F)(F)F)n2nc(NCc2c([O-])cccc2F)c1C ZINC000895832317 742459167 /nfs/dbraw/zinc/45/91/67/742459167.db2.gz DXHZIQQYOWVVTI-UHFFFAOYSA-N -1 3 355.295 3.217 20 10 FGCDHM CC(C)(C)OC(=O)Nc1cnc(CNCc2cccc(Cl)c2[O-])cn1 ZINC000898215356 742759731 /nfs/dbraw/zinc/75/97/31/742759731.db2.gz MBHMKNZRHFVUEO-UHFFFAOYSA-N -1 3 364.833 3.472 20 10 FGCDHM Cc1cn(C(C)(C)C(=O)NCc2c([O-])cccc2F)nc1C(F)(F)F ZINC000928710255 760242962 /nfs/dbraw/zinc/24/29/62/760242962.db2.gz RJYXORXFOTVLCD-UHFFFAOYSA-N -1 3 359.323 3.107 20 10 FGCDHM CCN(Cc1noc2c1COCC2)Cc1cc(Br)ccc1[O-] ZINC000929755391 760450640 /nfs/dbraw/zinc/45/06/40/760450640.db2.gz NHAMFUOAIMBZII-UHFFFAOYSA-N -1 3 367.243 3.238 20 10 FGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(c2ccnn2CCO)CC1 ZINC000092811250 494755357 /nfs/dbraw/zinc/75/53/57/494755357.db2.gz ZRSNHZMQWXLCLI-UHFFFAOYSA-N -1 3 370.280 3.267 20 10 FGCDHM COc1cc(C)c([C@@H](C)NC(=O)CN(C)Cc2ccccc2[O-])cc1OC ZINC000111235994 495053307 /nfs/dbraw/zinc/05/33/07/495053307.db2.gz RYDAZEVJLVWRJW-OAHLLOKOSA-N -1 3 372.465 3.027 20 10 FGCDHM NC(=O)[C@H]1CCCN1Cc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000120083069 495303376 /nfs/dbraw/zinc/30/33/76/495303376.db2.gz ROSYIFFBHJBROT-QGZVFWFLSA-N -1 3 359.857 3.107 20 10 FGCDHM C[S@](=O)C[C@H](NCc1cc(Br)ccc1[O-])c1ccccc1 ZINC000154743538 495715004 /nfs/dbraw/zinc/71/50/04/495715004.db2.gz ZSPAUNOBAKDJFT-YCRPNKLZSA-N -1 3 368.296 3.364 20 10 FGCDHM COc1ccc(N[C@@H](C)c2cc(C)ccc2O)cc1[N-]S(C)(=O)=O ZINC000186405035 495984883 /nfs/dbraw/zinc/98/48/83/495984883.db2.gz BGAWNJWCLWZECW-LBPRGKRZSA-N -1 3 350.440 3.254 20 10 FGCDHM COc1cc(Cl)cc(CN2CCCN(Cc3cscn3)CC2)c1[O-] ZINC000184688095 496493378 /nfs/dbraw/zinc/49/33/78/496493378.db2.gz LALMDKRBBYMBOH-UHFFFAOYSA-N -1 3 367.902 3.219 20 10 FGCDHM CC[C@H](NCc1nnc2n1CCCC2)c1cc(Br)ccc1[O-] ZINC000158103304 496627807 /nfs/dbraw/zinc/62/78/07/496627807.db2.gz FUYJOKXRRMJHKU-ZDUSSCGKSA-N -1 3 365.275 3.323 20 10 FGCDHM Cc1cc(C(=O)N2CCc3c(nc[n-]c3=O)C2)c(C)n1-c1cccc(C)c1 ZINC000273277558 496761606 /nfs/dbraw/zinc/76/16/06/496761606.db2.gz SECAWPRIFHOJGI-UHFFFAOYSA-N -1 3 362.433 3.097 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cccc(N3CCCC3=O)c2)c1 ZINC000273296521 496767371 /nfs/dbraw/zinc/76/73/71/496767371.db2.gz AEWCPIBMSDZWJQ-CQSZACIVSA-N -1 3 368.433 3.156 20 10 FGCDHM C[C@@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273302357 496768292 /nfs/dbraw/zinc/76/82/92/496768292.db2.gz BSRXVCNTPAZQEA-KDOFPFPSSA-N -1 3 369.421 3.315 20 10 FGCDHM CCCNC(=O)c1cccc(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000273398382 496794776 /nfs/dbraw/zinc/79/47/76/496794776.db2.gz MNBVLNTXVIMMES-AWEZNQCLSA-N -1 3 370.449 3.169 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCOCC(F)F ZINC000276712303 497634580 /nfs/dbraw/zinc/63/45/80/497634580.db2.gz JOFMCHXHTHSADY-UHFFFAOYSA-N -1 3 366.202 3.175 20 10 FGCDHM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276899639 497682488 /nfs/dbraw/zinc/68/24/88/497682488.db2.gz ITXQKVNHSAAIES-DIFFPNOSSA-N -1 3 373.403 3.160 20 10 FGCDHM CCN(Cc1cc(=O)c(OC)co1)Cc1cc(Br)ccc1[O-] ZINC000268505278 497767851 /nfs/dbraw/zinc/76/78/51/497767851.db2.gz AXWRUUVVJMPHHU-UHFFFAOYSA-N -1 3 368.227 3.139 20 10 FGCDHM COc1ccc(CNCc2cccc(OC)c2O)c(Br)c1[O-] ZINC000289405836 498135369 /nfs/dbraw/zinc/13/53/69/498135369.db2.gz HDSWXZYWGNVIEA-UHFFFAOYSA-N -1 3 368.227 3.167 20 10 FGCDHM O=C([C@H]1CC12CCN(Cc1c([O-])ccc(Cl)c1F)CC2)N1CCCC1 ZINC000365250621 498373812 /nfs/dbraw/zinc/37/38/12/498373812.db2.gz AHUFRSXENYMZBS-CQSZACIVSA-N -1 3 366.864 3.409 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cnn(C3CCOCC3)c2C)c1 ZINC000297252545 498377951 /nfs/dbraw/zinc/37/79/51/498377951.db2.gz JKTWNQXGCYBJPB-LBPRGKRZSA-N -1 3 359.426 3.208 20 10 FGCDHM CCS(=O)(=O)c1ccc(CNCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000293699621 498458751 /nfs/dbraw/zinc/45/87/51/498458751.db2.gz SZLRVOWPKMNXHK-UHFFFAOYSA-N -1 3 357.834 3.268 20 10 FGCDHM CS(=O)(=O)Cc1ccccc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000293710017 498463433 /nfs/dbraw/zinc/46/34/33/498463433.db2.gz UPMYGLVWFIEDAY-UHFFFAOYSA-N -1 3 357.834 3.019 20 10 FGCDHM CS(=O)(=O)C[C@@H]1CCCN(Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000293896811 498526655 /nfs/dbraw/zinc/52/66/55/498526655.db2.gz KTEDWQXAUMKOAV-MRXNPFEDSA-N -1 3 359.491 3.316 20 10 FGCDHM CCOCc1nc([C@@H](C)NCc2cc(Br)cc(C)c2[O-])no1 ZINC000290995665 498749540 /nfs/dbraw/zinc/74/95/40/498749540.db2.gz VNQYSHWIYKSVMY-SNVBAGLBSA-N -1 3 370.247 3.233 20 10 FGCDHM CC[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(Cl)c1[O-] ZINC000287547416 498793970 /nfs/dbraw/zinc/79/39/70/498793970.db2.gz FKBAVYJALBXJPG-NWDGAFQWSA-N -1 3 350.768 3.250 20 10 FGCDHM O=C([N-]C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1)C(F)(F)F ZINC000291491018 498962351 /nfs/dbraw/zinc/96/23/51/498962351.db2.gz GPUWEUBARHVEQY-CYBMUJFWSA-N -1 3 366.383 3.436 20 10 FGCDHM O=C([N-]C[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1)C(F)(F)F ZINC000291491018 498962357 /nfs/dbraw/zinc/96/23/57/498962357.db2.gz GPUWEUBARHVEQY-CYBMUJFWSA-N -1 3 366.383 3.436 20 10 FGCDHM COc1cc(Br)cc(CN2CCOC[C@@H]2c2ccco2)c1[O-] ZINC000369772544 499442137 /nfs/dbraw/zinc/44/21/37/499442137.db2.gz LJEQJUPZAXBDGK-CYBMUJFWSA-N -1 3 368.227 3.330 20 10 FGCDHM Cc1ccc(C(=O)N2CCC[C@@]3(CCc4ccccc4O3)C2)c([O-])c1O ZINC000529905413 503751210 /nfs/dbraw/zinc/75/12/10/503751210.db2.gz GESQAVUPBJVDHJ-OAQYLSRUSA-N -1 3 353.418 3.406 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000529637128 504749418 /nfs/dbraw/zinc/74/94/18/504749418.db2.gz ZAVYUZNKPPCAON-UHFFFAOYSA-N -1 3 371.437 3.233 20 10 FGCDHM Cc1cc(C(=O)NC[C@H](C)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235397 598848707 /nfs/dbraw/zinc/84/87/07/598848707.db2.gz UQDMTXXYNIEXPD-ZDUSSCGKSA-N -1 3 366.469 3.296 20 10 FGCDHM Cc1cc(C(=O)NCc2ccccc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236987 598609650 /nfs/dbraw/zinc/60/96/50/598609650.db2.gz XSFOCMAJVUGHHF-UHFFFAOYSA-N -1 3 372.432 3.204 20 10 FGCDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000827718760 600742916 /nfs/dbraw/zinc/74/29/16/600742916.db2.gz XQGFRMFMRNJVGC-AUUYWEPGSA-N -1 3 358.413 3.139 20 10 FGCDHM CCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821109462 606353881 /nfs/dbraw/zinc/35/38/81/606353881.db2.gz JCPNDEZPQYAEEH-UHFFFAOYSA-N -1 3 370.388 3.156 20 10 FGCDHM CCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821109462 606353883 /nfs/dbraw/zinc/35/38/83/606353883.db2.gz JCPNDEZPQYAEEH-UHFFFAOYSA-N -1 3 370.388 3.156 20 10 FGCDHM CCCC(=O)NC[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177099934 705606179 /nfs/dbraw/zinc/60/61/79/705606179.db2.gz CQISUDNFAOMEDX-AWEZNQCLSA-N -1 3 366.889 3.377 20 10 FGCDHM COc1ccccc1C(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000768253343 723651881 /nfs/dbraw/zinc/65/18/81/723651881.db2.gz ZZSJIMWOAOEWGF-UHFFFAOYSA-N -1 3 360.841 3.012 20 10 FGCDHM Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c([O-])c1O ZINC000780862006 724508897 /nfs/dbraw/zinc/50/88/97/724508897.db2.gz MQGZZVHVAWOYDR-UHFFFAOYSA-N -1 3 360.797 3.439 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2nnc([C@H]3CCCO3)o2)c1 ZINC000781559858 724574267 /nfs/dbraw/zinc/57/42/67/724574267.db2.gz LFPCZOUNWJFANQ-LLVKDONJSA-N -1 3 354.204 3.310 20 10 FGCDHM O=S(=O)([N-]CCCSc1nccs1)c1cccc(Cl)c1F ZINC000733899521 722501987 /nfs/dbraw/zinc/50/19/87/722501987.db2.gz IZGUEFFORRSEFX-UHFFFAOYSA-N -1 3 366.892 3.396 20 10 FGCDHM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000742276350 722554312 /nfs/dbraw/zinc/55/43/12/722554312.db2.gz FCOPUMRMQLERDY-UHFFFAOYSA-N -1 3 370.396 3.183 20 10 FGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CC1(Cl)Cl ZINC000749299084 722723695 /nfs/dbraw/zinc/72/36/95/722723695.db2.gz UCOKMHNZNYQDEF-SNVBAGLBSA-N -1 3 352.645 3.214 20 10 FGCDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2C)c(F)cc1F ZINC000753370896 722896263 /nfs/dbraw/zinc/89/62/63/722896263.db2.gz NGBNOLXQRPGYSU-UHFFFAOYSA-N -1 3 354.422 3.126 20 10 FGCDHM C[C@@H](NCc1ccnc(N(C)C)n1)c1cc(Br)c(F)cc1[O-] ZINC000756789356 722970119 /nfs/dbraw/zinc/97/01/19/722970119.db2.gz HFCBIKYJCLKTEV-SECBINFHSA-N -1 3 369.238 3.001 20 10 FGCDHM O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cccc(O)c1[O-] ZINC000790920902 723193660 /nfs/dbraw/zinc/19/36/60/723193660.db2.gz CUGBVONYMQLOBY-JTQLQIEISA-N -1 3 367.232 3.413 20 10 FGCDHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2C)cc1F ZINC000762622012 723263463 /nfs/dbraw/zinc/26/34/63/723263463.db2.gz ADHHLJRHGBEHLH-UHFFFAOYSA-N -1 3 354.422 3.126 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2COC(=O)N(C)C)c1[O-] ZINC000796550609 723643246 /nfs/dbraw/zinc/64/32/46/723643246.db2.gz IWANJTUGUYSWIW-OAHLLOKOSA-N -1 3 368.861 3.301 20 10 FGCDHM Cc1ccccc1CC(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000769213174 723679597 /nfs/dbraw/zinc/67/95/97/723679597.db2.gz LNRLIJIEKDOCPB-UHFFFAOYSA-N -1 3 358.869 3.241 20 10 FGCDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000769498287 723687453 /nfs/dbraw/zinc/68/74/53/723687453.db2.gz SZMLPGVBPFRWEU-UFBFGSQYSA-N -1 3 354.166 3.306 20 10 FGCDHM CN(CC(F)F)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000769511897 723688266 /nfs/dbraw/zinc/68/82/66/723688266.db2.gz ZQGKGQLFJVSHQA-UHFFFAOYSA-N -1 3 363.792 3.115 20 10 FGCDHM COc1c([O-])c(CN2CCO[C@H](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000775062947 723957601 /nfs/dbraw/zinc/95/76/01/723957601.db2.gz LNGSIZHDMMBKQR-INIZCTEOSA-N -1 3 350.415 3.090 20 10 FGCDHM CSC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCC1 ZINC000787445534 725028658 /nfs/dbraw/zinc/02/86/58/725028658.db2.gz MYURHOILSMECPH-HNNXBMFYSA-N -1 3 368.930 3.412 20 10 FGCDHM COC(=O)[C@@H](Cc1ccccc1)NCc1cc(Br)ccc1[O-] ZINC000789570608 725137032 /nfs/dbraw/zinc/13/70/32/725137032.db2.gz OVLVBGPPFQUTRQ-OAHLLOKOSA-N -1 3 364.239 3.029 20 10 FGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccncc1OC[C@H]1CCOC1 ZINC000808437015 725201108 /nfs/dbraw/zinc/20/11/08/725201108.db2.gz VWVPMLYDJRSOAO-LBPRGKRZSA-N -1 3 366.820 3.285 20 10 FGCDHM CN(CCc1cccc(Br)c1)C(=O)c1cccc(O)c1[O-] ZINC000812773325 726809303 /nfs/dbraw/zinc/80/93/03/726809303.db2.gz CXAUAXTUQSMADA-UHFFFAOYSA-N -1 3 350.212 3.175 20 10 FGCDHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(O)cc1SC ZINC000817356078 727242818 /nfs/dbraw/zinc/24/28/18/727242818.db2.gz DEWLSFUOJNDSAM-HNNXBMFYSA-N -1 3 367.492 3.114 20 10 FGCDHM CC(C)(C)CC(=O)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824556395 729347194 /nfs/dbraw/zinc/34/71/94/729347194.db2.gz RDCUIUIXUWYZNK-UHFFFAOYSA-N -1 3 369.303 3.235 20 10 FGCDHM Cc1cc([O-])c(CN2CCN(Cc3nccn3C(F)F)CC2)cc1Cl ZINC000824632406 729351920 /nfs/dbraw/zinc/35/19/20/729351920.db2.gz IDRRZIABFIJPIS-UHFFFAOYSA-N -1 3 370.831 3.263 20 10 FGCDHM [O-]c1cc(F)c(Cl)cc1CN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000824636531 729352025 /nfs/dbraw/zinc/35/20/25/729352025.db2.gz RSOVWRROCNDSFK-KDOFPFPSSA-N -1 3 353.796 3.485 20 10 FGCDHM [O-]c1ccc(Cl)c(F)c1CN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000824637582 729352219 /nfs/dbraw/zinc/35/22/19/729352219.db2.gz YORGFURTOAUART-KSSFIOAISA-N -1 3 353.796 3.485 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000825955783 729400878 /nfs/dbraw/zinc/40/08/78/729400878.db2.gz RXINBBSPQBSXGA-ZDUSSCGKSA-N -1 3 356.651 3.452 20 10 FGCDHM CSC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000830545032 729570179 /nfs/dbraw/zinc/57/01/79/729570179.db2.gz VXCVGKUTTKBZNX-CQSZACIVSA-N -1 3 356.919 3.268 20 10 FGCDHM COc1ccc(NS(C)(=O)=O)cc1N[C@H](C)c1ccc(F)cc1[O-] ZINC000834887409 729843172 /nfs/dbraw/zinc/84/31/72/729843172.db2.gz FHDIAAJNLQQWIS-SNVBAGLBSA-N -1 3 354.403 3.085 20 10 FGCDHM COc1ccc(NS(C)(=O)=O)cc1N[C@@H](C)c1ccc(F)cc1[O-] ZINC000834887407 729843268 /nfs/dbraw/zinc/84/32/68/729843268.db2.gz FHDIAAJNLQQWIS-JTQLQIEISA-N -1 3 354.403 3.085 20 10 FGCDHM Cc1cc([O-])c(CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC000840937141 730194072 /nfs/dbraw/zinc/19/40/72/730194072.db2.gz HXCQDWHOSKYDGK-ZDUSSCGKSA-N -1 3 370.877 3.080 20 10 FGCDHM COC(=O)[C@H](Cc1cccc(OC)c1)NCc1cc(Cl)c(C)cc1[O-] ZINC000862474475 732839402 /nfs/dbraw/zinc/83/94/02/732839402.db2.gz MAMUBBSIWWDQQJ-KRWDZBQOSA-N -1 3 363.841 3.237 20 10 FGCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H](CO)c2ccccc2C(F)(F)F)c1 ZINC000922985029 759044910 /nfs/dbraw/zinc/04/49/10/759044910.db2.gz QZWFTMMCCSKAPN-CQSZACIVSA-N -1 3 356.300 3.142 20 10 FGCDHM O=S(=O)([N-]c1ccccc1Br)c1cccc2nsnc21 ZINC000014254614 494312568 /nfs/dbraw/zinc/31/25/68/494312568.db2.gz COXPEXHEPKNCRM-UHFFFAOYSA-N -1 3 370.253 3.255 20 10 FGCDHM COc1ccc(-c2noc(CN(C)Cc3ccccc3[O-])n2)cc1OC ZINC000109771564 494916578 /nfs/dbraw/zinc/91/65/78/494916578.db2.gz LFGIKWRULNZGFK-UHFFFAOYSA-N -1 3 355.394 3.091 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1[O-] ZINC000179506362 495619893 /nfs/dbraw/zinc/61/98/93/495619893.db2.gz IDCJBKWNHNNBTM-CYBMUJFWSA-N -1 3 358.417 3.109 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(OC[C@H]3CCCO3)CC2)c1[O-] ZINC000177452581 496067624 /nfs/dbraw/zinc/06/76/24/496067624.db2.gz SJRSECQZQNTUMH-QGZVFWFLSA-N -1 3 367.873 3.408 20 10 FGCDHM C[C@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(F)cc1[O-] ZINC000185131682 496674277 /nfs/dbraw/zinc/67/42/77/496674277.db2.gz PDJQNAPDNHOXTF-ORAYPTAESA-N -1 3 358.413 3.500 20 10 FGCDHM CCCOc1ccc(CN(C)Cc2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000271201806 497289141 /nfs/dbraw/zinc/28/91/41/497289141.db2.gz QCZOSLCTXDPKLF-UHFFFAOYSA-N -1 3 363.479 3.217 20 10 FGCDHM COC(C)(C)C[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277142051 497753829 /nfs/dbraw/zinc/75/38/29/497753829.db2.gz AAKQKCAUNOJTSD-NSHDSACASA-N -1 3 354.834 3.013 20 10 FGCDHM COCc1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000277199211 497773409 /nfs/dbraw/zinc/77/34/09/497773409.db2.gz DPNYYRCZVFNBDG-UHFFFAOYSA-N -1 3 374.824 3.156 20 10 FGCDHM CC(=O)c1cc(F)cc(CN[C@H](Cc2nc(C)no2)c2ccccc2)c1[O-] ZINC000277198195 497773558 /nfs/dbraw/zinc/77/35/58/497773558.db2.gz MKGMWTHTRPKIHZ-GOSISDBHSA-N -1 3 369.396 3.499 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cc1cccnc1C ZINC000285500837 498108870 /nfs/dbraw/zinc/10/88/70/498108870.db2.gz AHZYBRKSHBOTTQ-UHFFFAOYSA-N -1 3 363.255 3.449 20 10 FGCDHM COc1ccc(N2CCC(N(C)C(=O)c3ccc(C)c(O)c3[O-])CC2)cc1 ZINC000365046423 498271432 /nfs/dbraw/zinc/27/14/32/498271432.db2.gz WWSNCAXZWNYQFC-UHFFFAOYSA-N -1 3 370.449 3.156 20 10 FGCDHM CC(C)O[N-]C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000297350676 498415591 /nfs/dbraw/zinc/41/55/91/498415591.db2.gz YESVEIIYEYIUBF-XFXZXTDPSA-N -1 3 370.521 3.186 20 10 FGCDHM Cc1cc(CNCc2cc(Cl)c(F)cc2[O-])nc(N2CCCC2)n1 ZINC000293916265 498531945 /nfs/dbraw/zinc/53/19/45/498531945.db2.gz MEXFPUTVXGJETM-UHFFFAOYSA-N -1 3 350.825 3.173 20 10 FGCDHM C[C@H](NCc1ccncc1OC[C@@H]1CCOC1)c1ccc(F)c(F)c1[O-] ZINC000287408573 498745786 /nfs/dbraw/zinc/74/57/86/498745786.db2.gz RHZXJWTVLCPFBE-QWHCGFSZSA-N -1 3 364.392 3.332 20 10 FGCDHM CCOc1ccc([C@H](O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000291047860 498772665 /nfs/dbraw/zinc/77/26/65/498772665.db2.gz JEQWWFVYUXBHCB-IBGZPJMESA-N -1 3 371.433 3.082 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1oc(CO)cc1C ZINC000283226694 498823106 /nfs/dbraw/zinc/82/31/06/498823106.db2.gz BBYZBTXCSAEKIZ-UHFFFAOYSA-N -1 3 368.227 3.211 20 10 FGCDHM Cc1ccc2c(c1)[C@H](N1C(=O)CN(Cc3cc(Cl)ccc3[O-])C1=O)CO2 ZINC000372905153 499192724 /nfs/dbraw/zinc/19/27/24/499192724.db2.gz AOBYETKOWGBJBX-OAHLLOKOSA-N -1 3 372.808 3.252 20 10 FGCDHM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000370621914 499236484 /nfs/dbraw/zinc/23/64/84/499236484.db2.gz JGTNTLGUNTUZAU-NSHDSACASA-N -1 3 366.824 3.246 20 10 FGCDHM COc1cc(Cl)cc(CN2CCCC[C@@H]2CN2CCCC2=O)c1[O-] ZINC000368623239 499314750 /nfs/dbraw/zinc/31/47/50/499314750.db2.gz POQMBILJUNHWMA-OAHLLOKOSA-N -1 3 352.862 3.031 20 10 FGCDHM CC[C@H](Nc1ccc2c(c1)N(CC(=O)NC)CC2)c1ccc(F)cc1[O-] ZINC000375839604 499560889 /nfs/dbraw/zinc/56/08/89/499560889.db2.gz MQAYCVPTQMNRHG-KRWDZBQOSA-N -1 3 357.429 3.203 20 10 FGCDHM Cc1cc(C)cc(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737249805 598318027 /nfs/dbraw/zinc/31/80/27/598318027.db2.gz DIHZLQHZOODBRF-UHFFFAOYSA-N -1 3 373.873 3.450 20 10 FGCDHM Cc1cc(C)cc(NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737249805 598318029 /nfs/dbraw/zinc/31/80/29/598318029.db2.gz DIHZLQHZOODBRF-UHFFFAOYSA-N -1 3 373.873 3.450 20 10 FGCDHM O=C([O-])N1CC[C@]2(C1)C[C@H](NCc1ccccc1O)c1ccccc1O2 ZINC000834088318 605637241 /nfs/dbraw/zinc/63/72/41/605637241.db2.gz WSLMAMFWHQETTH-OXJNMPFZSA-N -1 3 354.406 3.128 20 10 FGCDHM O=C([O-])N1CC[C@]2(C1)C[C@H]([NH2+]Cc1ccccc1[O-])c1ccccc1O2 ZINC000834088318 605637246 /nfs/dbraw/zinc/63/72/46/605637246.db2.gz WSLMAMFWHQETTH-OXJNMPFZSA-N -1 3 354.406 3.128 20 10 FGCDHM Cc1cc(C(=O)N2CC[C@@H](C)[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167754 606581692 /nfs/dbraw/zinc/58/16/92/606581692.db2.gz HPUWLBFQIXHLQI-TZMCWYRMSA-N -1 3 364.453 3.145 20 10 FGCDHM Cc1ccnc(N(C)Cc2ccc(N3CCCCC3)cc2)c1-c1nnn[n-]1 ZINC000826309331 609525221 /nfs/dbraw/zinc/52/52/21/609525221.db2.gz LMQXDHLJQKVLKN-UHFFFAOYSA-N -1 3 363.469 3.197 20 10 FGCDHM Cc1ccnc(N(C)Cc2ccc(N3CCCCC3)cc2)c1-c1nn[n-]n1 ZINC000826309331 609525223 /nfs/dbraw/zinc/52/52/23/609525223.db2.gz LMQXDHLJQKVLKN-UHFFFAOYSA-N -1 3 363.469 3.197 20 10 FGCDHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(N4CCCC4)c3)ccc2O1 ZINC000111995285 700553263 /nfs/dbraw/zinc/55/32/63/700553263.db2.gz VHEDGGCDUKTIGQ-AWEZNQCLSA-N -1 3 358.463 3.411 20 10 FGCDHM O=C1N[C@H](c2cc(O)cc(Br)c2[O-])Nc2cc(Cl)ccc21 ZINC000124718456 700724109 /nfs/dbraw/zinc/72/41/09/700724109.db2.gz FKDPYDOLMBPFPB-CYBMUJFWSA-N -1 3 369.602 3.368 20 10 FGCDHM COC(=O)CN(CCc1csc(C)n1)Cc1cc(Cl)ccc1[O-] ZINC000128407877 700774557 /nfs/dbraw/zinc/77/45/57/700774557.db2.gz QMRLKYCCRYIVQG-UHFFFAOYSA-N -1 3 354.859 3.028 20 10 FGCDHM C[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1n1ccnc1 ZINC000245684808 713609957 /nfs/dbraw/zinc/60/99/57/713609957.db2.gz AFFNVBVASDYUGM-XHDPSFHLSA-N -1 3 350.806 3.233 20 10 FGCDHM CCc1ccc(N2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1Cl ZINC000804195330 724494285 /nfs/dbraw/zinc/49/42/85/724494285.db2.gz AIIGXZQATCNUCW-UHFFFAOYSA-N -1 3 360.841 3.276 20 10 FGCDHM O=S(=O)([N-]CCCSc1nccs1)c1ccc(Cl)cc1F ZINC000733899062 722502002 /nfs/dbraw/zinc/50/20/02/722502002.db2.gz CBWPXOGWTHLBRP-UHFFFAOYSA-N -1 3 366.892 3.396 20 10 FGCDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1Cl ZINC000748644417 722699915 /nfs/dbraw/zinc/69/99/15/722699915.db2.gz XZRKBYJSLLQTFT-UHFFFAOYSA-N -1 3 354.815 3.113 20 10 FGCDHM C[C@@H]1CN(C[C@H]2CCCN2Cc2c([O-])ccc(Cl)c2F)C[C@@H](C)O1 ZINC000792167325 723317335 /nfs/dbraw/zinc/31/73/35/723317335.db2.gz NFPFASKWZZIUOJ-MGPQQGTHSA-N -1 3 356.869 3.258 20 10 FGCDHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cccc(O)c1[O-] ZINC000792606116 723350908 /nfs/dbraw/zinc/35/09/08/723350908.db2.gz SEVRHFWHSCDGTI-GXFFZTMASA-N -1 3 366.186 3.285 20 10 FGCDHM CN(CC(=O)N(C)C1CCCCC1)Cc1cc(Br)ccc1[O-] ZINC000768302603 723653581 /nfs/dbraw/zinc/65/35/81/723653581.db2.gz IQAJSBZOTYBJJQ-UHFFFAOYSA-N -1 3 369.303 3.378 20 10 FGCDHM COc1c([O-])c(CN[C@@H]2COc3ccc(Cl)cc32)ccc1[N+](=O)[O-] ZINC000775035039 723954810 /nfs/dbraw/zinc/95/48/10/723954810.db2.gz XUESXLHOPXDALF-GFCCVEGCSA-N -1 3 350.758 3.186 20 10 FGCDHM COc1c([O-])c(CNc2cc3c(cc2Cl)OCCO3)ccc1[N+](=O)[O-] ZINC000775049243 723956078 /nfs/dbraw/zinc/95/60/78/723956078.db2.gz XTWUPHAMSRZATP-UHFFFAOYSA-N -1 3 366.757 3.346 20 10 FGCDHM Cc1ccncc1N1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000798962341 723980583 /nfs/dbraw/zinc/98/05/83/723980583.db2.gz PNLWPJHESKIOOU-UHFFFAOYSA-N -1 3 362.271 3.180 20 10 FGCDHM Cc1c(NCc2c([O-])cccc2Cl)cccc1N1C(=O)CCNC1=O ZINC000800293750 724176414 /nfs/dbraw/zinc/17/64/14/724176414.db2.gz JSMWBYBEBXVIAA-UHFFFAOYSA-N -1 3 359.813 3.412 20 10 FGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](OC)c1ccccc1 ZINC000801932620 724347658 /nfs/dbraw/zinc/34/76/58/724347658.db2.gz RUZWOPHBCRSFLI-GOSISDBHSA-N -1 3 363.841 3.408 20 10 FGCDHM COC(=O)C[C@@](C)(NCc1cc(Cl)cc(F)c1[O-])c1ccncc1 ZINC000789553751 725136274 /nfs/dbraw/zinc/13/62/74/725136274.db2.gz DGUPDJVQXNPTEP-QGZVFWFLSA-N -1 3 352.793 3.148 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNCc2nccc(C(F)F)n2)c1 ZINC000808434525 725200935 /nfs/dbraw/zinc/20/09/35/725200935.db2.gz AGORIKUETPAABE-UHFFFAOYSA-N -1 3 358.186 3.481 20 10 FGCDHM CN(CCn1cc(Br)cn1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809792676 725269141 /nfs/dbraw/zinc/26/91/41/725269141.db2.gz CZJIYZOBTSAMEZ-UHFFFAOYSA-N -1 3 362.630 3.276 20 10 FGCDHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCCCSc2nccs2)c1 ZINC000824014816 729315997 /nfs/dbraw/zinc/31/59/97/729315997.db2.gz LUYKRGCKUYINAG-UHFFFAOYSA-N -1 3 360.468 3.120 20 10 FGCDHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCCCSc2nccs2)c1 ZINC000824014816 729315999 /nfs/dbraw/zinc/31/59/99/729315999.db2.gz LUYKRGCKUYINAG-UHFFFAOYSA-N -1 3 360.468 3.120 20 10 FGCDHM Cc1nc(C2(NCc3ccc(Br)cc3[O-])CCCC2)no1 ZINC000825197061 729374263 /nfs/dbraw/zinc/37/42/63/729374263.db2.gz FCMZWBFVFMRASF-UHFFFAOYSA-N -1 3 352.232 3.405 20 10 FGCDHM CC(C)OCCOC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000825208431 729374661 /nfs/dbraw/zinc/37/46/61/729374661.db2.gz XJJBIYMBUUDSEN-UHFFFAOYSA-N -1 3 372.849 3.360 20 10 FGCDHM Cc1cc([O-])c(CN2CCO[C@H](CNC(=O)OC(C)(C)C)C2)cc1Cl ZINC000825548152 729387331 /nfs/dbraw/zinc/38/73/31/729387331.db2.gz CTLILVJBZGKKRE-CQSZACIVSA-N -1 3 370.877 3.080 20 10 FGCDHM Cc1ccc(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826291623 729406908 /nfs/dbraw/zinc/40/69/08/729406908.db2.gz OAGVFXMTSFUTCQ-UHFFFAOYSA-N -1 3 359.846 3.142 20 10 FGCDHM Cc1ccc(NC(=S)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826291623 729406911 /nfs/dbraw/zinc/40/69/11/729406911.db2.gz OAGVFXMTSFUTCQ-UHFFFAOYSA-N -1 3 359.846 3.142 20 10 FGCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1cnc2c(c1)CNCC2 ZINC000841322569 730232013 /nfs/dbraw/zinc/23/20/13/730232013.db2.gz VALNOEMEYGODSG-UHFFFAOYSA-N -1 3 367.236 3.061 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCO[C@]3(CCSC3)C2)c1 ZINC000843417570 730618031 /nfs/dbraw/zinc/61/80/31/730618031.db2.gz ISGFBUZSNQWUBT-OAHLLOKOSA-N -1 3 358.301 3.171 20 10 FGCDHM CC[C@@H](NC(c1ccnn1C)c1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000858583546 732228613 /nfs/dbraw/zinc/22/86/13/732228613.db2.gz KOFZPKDXZSWGBO-CQSZACIVSA-N -1 3 359.861 3.343 20 10 FGCDHM CCC1(CC)CN(Cc2c([O-])cccc2Br)CC[S@]1=O ZINC000862327407 732808539 /nfs/dbraw/zinc/80/85/39/732808539.db2.gz CETJASMVTZUIHL-HXUWFJFHSA-N -1 3 360.317 3.278 20 10 FGCDHM [O-]c1cccc(Br)c1CN1CCN(c2ccnc(F)c2)CC1 ZINC000862386326 732821387 /nfs/dbraw/zinc/82/13/87/732821387.db2.gz OYRSQRHJGAETJJ-UHFFFAOYSA-N -1 3 366.234 3.011 20 10 FGCDHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000863406868 732958986 /nfs/dbraw/zinc/95/89/86/732958986.db2.gz MDMUBLYQUCZRGD-AWEZNQCLSA-N -1 3 373.833 3.184 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(Br)cn2)c1 ZINC000866569113 733368000 /nfs/dbraw/zinc/36/80/00/733368000.db2.gz MEHPNKDYKNYUGU-SNVBAGLBSA-N -1 3 365.227 3.187 20 10 FGCDHM Cc1ccc([C@@H](NCc2ccc(F)c(F)c2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000877496441 736672445 /nfs/dbraw/zinc/67/24/45/736672445.db2.gz RUDCWPDFDKEJFP-SJCJKPOMSA-N -1 3 369.433 3.243 20 10 FGCDHM COc1ccc(NS(C)(=O)=O)cc1N[C@H](C)c1c([O-])cccc1F ZINC000886619261 739276087 /nfs/dbraw/zinc/27/60/87/739276087.db2.gz XUVAIGJHVXUTSS-SNVBAGLBSA-N -1 3 354.403 3.085 20 10 FGCDHM [O-]c1c(Cl)cccc1CNCc1sc(N2CCOCC2)nc1Cl ZINC000898218900 742760488 /nfs/dbraw/zinc/76/04/88/742760488.db2.gz SBIDZVNBSPZLCS-UHFFFAOYSA-N -1 3 374.293 3.282 20 10 FGCDHM COc1nn(C)cc1CN[C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000903339578 743839002 /nfs/dbraw/zinc/83/90/02/743839002.db2.gz ZBSHIWANSNHZGI-QMMMGPOBSA-N -1 3 374.666 3.401 20 10 FGCDHM Cc1csc([C@@H](NC(=O)NCc2c([O-])cccc2F)C(F)(F)F)n1 ZINC000931579790 760903543 /nfs/dbraw/zinc/90/35/43/760903543.db2.gz GHECZMNFRPNDPX-LLVKDONJSA-N -1 3 363.336 3.399 20 10 FGCDHM Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cc3c(cc2[O-])OCO3)o1 ZINC000092356001 494604963 /nfs/dbraw/zinc/60/49/63/494604963.db2.gz KHUVSAHXULVXTR-INIZCTEOSA-N -1 3 365.389 3.112 20 10 FGCDHM COc1cc(C)c([C@H](C)NC(=O)CN(C)Cc2ccccc2[O-])cc1OC ZINC000111235996 495052634 /nfs/dbraw/zinc/05/26/34/495052634.db2.gz RYDAZEVJLVWRJW-HNNXBMFYSA-N -1 3 372.465 3.027 20 10 FGCDHM CCN(Cc1nc([C@@H](C)OC)no1)Cc1cc(Br)ccc1[O-] ZINC000175285564 496323180 /nfs/dbraw/zinc/32/31/80/496323180.db2.gz AAKNEFPWNGFZNW-SNVBAGLBSA-N -1 3 370.247 3.267 20 10 FGCDHM C[C@@H](NCc1ccc(CN2CCCC2=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273407649 496796941 /nfs/dbraw/zinc/79/69/41/496796941.db2.gz OWUYHCDPCSZSMY-CQSZACIVSA-N -1 3 369.421 3.274 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(OC)c(OC)c2OC)c1 ZINC000273460444 496813257 /nfs/dbraw/zinc/81/32/57/496813257.db2.gz IASBIKGHPLTDQC-LLVKDONJSA-N -1 3 361.394 3.378 20 10 FGCDHM C[C@@H](NCc1cccc(C(=O)NC2CC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273466036 496813574 /nfs/dbraw/zinc/81/35/74/496813574.db2.gz DSNGZVKFWBGGAY-GFCCVEGCSA-N -1 3 355.394 3.043 20 10 FGCDHM CO[C@@]1(C)C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C1(C)C ZINC000277584166 496820409 /nfs/dbraw/zinc/82/04/09/496820409.db2.gz GCHCRWAYHUAGDE-KDOFPFPSSA-N -1 3 366.845 3.013 20 10 FGCDHM CC(=O)N1CCN(c2cccc(N[C@H](C)c3cc(F)ccc3[O-])c2)CC1 ZINC000188537568 496824946 /nfs/dbraw/zinc/82/49/46/496824946.db2.gz IBYHQVCPVPAWGA-CQSZACIVSA-N -1 3 357.429 3.373 20 10 FGCDHM COc1c([O-])c(CNc2ccc3c(c2)CCCC(=O)N3)ccc1[N+](=O)[O-] ZINC000278487410 497131519 /nfs/dbraw/zinc/13/15/19/497131519.db2.gz KSRDPACXIDIREO-UHFFFAOYSA-N -1 3 357.366 3.196 20 10 FGCDHM COc1cc(Cl)ccc1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278536156 497146655 /nfs/dbraw/zinc/14/66/55/497146655.db2.gz WGWYSYRBOWIKSK-UHFFFAOYSA-N -1 3 352.774 3.261 20 10 FGCDHM COC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(Cl)cc1 ZINC000278841868 497239692 /nfs/dbraw/zinc/23/96/92/497239692.db2.gz ZRRAXUDPGJYFAH-CQSZACIVSA-N -1 3 366.801 3.440 20 10 FGCDHM CCCOc1ccc(CN[C@@H](C(=O)OCC)c2cccc(O)c2)c([O-])c1 ZINC000276736455 497639584 /nfs/dbraw/zinc/63/95/84/497639584.db2.gz IBFLBRRWINJOBY-LJQANCHMSA-N -1 3 359.422 3.281 20 10 FGCDHM C[C@H](NCc1ccnc(OC2CCOCC2)c1)c1ccc(F)c(F)c1[O-] ZINC000276885744 497678320 /nfs/dbraw/zinc/67/83/20/497678320.db2.gz GVNSYWDXMKCDAD-LBPRGKRZSA-N -1 3 364.392 3.474 20 10 FGCDHM Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000272727726 497714945 /nfs/dbraw/zinc/71/49/45/497714945.db2.gz JFSZFGIRFNGMAG-HNNXBMFYSA-N -1 3 365.433 3.369 20 10 FGCDHM CC(C)c1nc(CN2CCCN(Cc3cccc(Cl)c3[O-])CC2)no1 ZINC000364288964 497882257 /nfs/dbraw/zinc/88/22/57/497882257.db2.gz HIZINLHSTVSALO-UHFFFAOYSA-N -1 3 364.877 3.260 20 10 FGCDHM CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000365013470 498254539 /nfs/dbraw/zinc/25/45/39/498254539.db2.gz OLQUIYGRVLUQHX-SFHVURJKSA-N -1 3 374.481 3.050 20 10 FGCDHM Cc1cc(Br)cc(CN2CCOC[C@@H]2[C@H]2CCCC2=O)c1[O-] ZINC000365148473 498322960 /nfs/dbraw/zinc/32/29/60/498322960.db2.gz DPRQSKDOOWWCEE-HUUCEWRRSA-N -1 3 368.271 3.033 20 10 FGCDHM Cc1noc([C@@H]2CCCN2Cc2cc(Br)cc(C)c2[O-])n1 ZINC000289915090 498351706 /nfs/dbraw/zinc/35/17/06/498351706.db2.gz VHSUQNXYEMKJMD-ZDUSSCGKSA-N -1 3 352.232 3.492 20 10 FGCDHM CCN(Cc1cc(COC)on1)Cc1cc(Br)ccc1[O-] ZINC000297566351 498496206 /nfs/dbraw/zinc/49/62/06/498496206.db2.gz COWPFGQGOQCGOA-UHFFFAOYSA-N -1 3 355.232 3.311 20 10 FGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1c1cc(C2CC2)ccn1 ZINC000290533034 498588147 /nfs/dbraw/zinc/58/81/47/498588147.db2.gz OKEVZLKHCNQTJX-UHFFFAOYSA-N -1 3 357.797 3.287 20 10 FGCDHM COc1ccc(CS(C)(=O)=O)cc1N[C@H](C)c1cc(F)ccc1[O-] ZINC000287389313 498738187 /nfs/dbraw/zinc/73/81/87/498738187.db2.gz IPTHXKNABIUINM-LLVKDONJSA-N -1 3 353.415 3.258 20 10 FGCDHM [O-]c1c(Cl)cc(Cl)cc1CN[C@H]1CCCc2c1cnn2CCO ZINC000319967518 498804482 /nfs/dbraw/zinc/80/44/82/498804482.db2.gz VZXZTJVFEDQROT-AWEZNQCLSA-N -1 3 356.253 3.055 20 10 FGCDHM C[C@@H](NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(F)cc1[O-] ZINC000369902055 499148942 /nfs/dbraw/zinc/14/89/42/499148942.db2.gz KCEQSPOANMNRIJ-ZJUUUORDSA-N -1 3 358.339 3.098 20 10 FGCDHM CN(C(=O)c1cccc(O)c1[O-])c1nc2c(s1)COc1ccccc1-2 ZINC000367749359 499230626 /nfs/dbraw/zinc/23/06/26/499230626.db2.gz XAUFFAFHGPBRNS-UHFFFAOYSA-N -1 3 354.387 3.390 20 10 FGCDHM CN(C)c1ccc(CN(c2ncc(-c3nnn[n-]3)cc2Cl)C2CC2)cc1 ZINC000736774865 598938532 /nfs/dbraw/zinc/93/85/32/598938532.db2.gz ZPYOBSQMPLMOCO-UHFFFAOYSA-N -1 3 369.860 3.150 20 10 FGCDHM CN(C)c1ccc(CN(c2ncc(-c3nn[n-]n3)cc2Cl)C2CC2)cc1 ZINC000736774865 598938534 /nfs/dbraw/zinc/93/85/34/598938534.db2.gz ZPYOBSQMPLMOCO-UHFFFAOYSA-N -1 3 369.860 3.150 20 10 FGCDHM COc1cc(Br)cc(C[NH2+]Cc2cccc(C(=O)[O-])c2)c1[O-] ZINC000820755010 598193992 /nfs/dbraw/zinc/19/39/92/598193992.db2.gz PVTPGYDLQZCRCT-UHFFFAOYSA-N -1 3 366.211 3.151 20 10 FGCDHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccc(N2CCSCC2)cc1 ZINC000737645058 598239472 /nfs/dbraw/zinc/23/94/72/598239472.db2.gz PGOSSQWTARZTPD-UHFFFAOYSA-N -1 3 370.457 3.171 20 10 FGCDHM Cc1cc(C(=O)N[C@@H](C)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235517 598610613 /nfs/dbraw/zinc/61/06/13/598610613.db2.gz WGKZKQCZSSHDCB-ZDUSSCGKSA-N -1 3 352.442 3.049 20 10 FGCDHM COc1ccc2[nH]cc(C3=CCN(c4ccc(-c5nnn[n-]5)nc4)CC3)c2c1 ZINC000821845893 606050348 /nfs/dbraw/zinc/05/03/48/606050348.db2.gz LIPRDVJVKMVAEW-UHFFFAOYSA-N -1 3 373.420 3.045 20 10 FGCDHM COc1ccc2[nH]cc(C3=CCN(c4ccc(-c5nn[n-]n5)nc4)CC3)c2c1 ZINC000821845893 606050353 /nfs/dbraw/zinc/05/03/53/606050353.db2.gz LIPRDVJVKMVAEW-UHFFFAOYSA-N -1 3 373.420 3.045 20 10 FGCDHM Cc1ccc(C(=O)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)s1 ZINC000092379712 700435482 /nfs/dbraw/zinc/43/54/82/700435482.db2.gz AMTSBAMTFZETIQ-UHFFFAOYSA-N -1 3 350.871 3.374 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCCN(c2nccs2)CC1 ZINC000092482772 700436452 /nfs/dbraw/zinc/43/64/52/700436452.db2.gz RKPMCPRNOLWVHH-UHFFFAOYSA-N -1 3 368.300 3.324 20 10 FGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000151874910 704940741 /nfs/dbraw/zinc/94/07/41/704940741.db2.gz ICHGARMSWNYMBV-JTQLQIEISA-N -1 3 353.827 3.478 20 10 FGCDHM O=C1N[C@@H](c2cc(O)cc(Br)c2[O-])Nc2cccc(Cl)c21 ZINC000172863114 705432668 /nfs/dbraw/zinc/43/26/68/705432668.db2.gz RCRQKMXWYVPHQS-ZDUSSCGKSA-N -1 3 369.602 3.368 20 10 FGCDHM CC[C@H]1CN(Cc2cc(C)cc(Br)c2[O-])C[C@]2(CCOC2)O1 ZINC000793360877 723429668 /nfs/dbraw/zinc/42/96/68/723429668.db2.gz GXPJQUPISKFYHI-YOEHRIQHSA-N -1 3 370.287 3.233 20 10 FGCDHM Cc1cc(Br)c([O-])c([C@H]2NC(=O)c3ccc(F)cc3N2)c1 ZINC000781554084 724573939 /nfs/dbraw/zinc/57/39/39/724573939.db2.gz GMTHVGCYZOBXPZ-CQSZACIVSA-N -1 3 351.175 3.456 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2cc(-c3nncn3C)ccn2)c1 ZINC000781634996 724581333 /nfs/dbraw/zinc/58/13/33/724581333.db2.gz DAKBBZMUJWZMAH-UHFFFAOYSA-N -1 3 374.242 3.266 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000781911596 724611215 /nfs/dbraw/zinc/61/12/15/724611215.db2.gz MGEYCZYFOZIVKG-DGCLKSJQSA-N -1 3 368.193 3.351 20 10 FGCDHM Cc1c(NC(=O)c2cccc(O)c2[O-])cnc(Cl)c1Br ZINC000790932352 723195416 /nfs/dbraw/zinc/19/54/16/723195416.db2.gz CWGNYNGSQKTPAG-UHFFFAOYSA-N -1 3 357.591 3.469 20 10 FGCDHM O=C1OCCN1c1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000790953778 723198464 /nfs/dbraw/zinc/19/84/64/723198464.db2.gz CAKSYNYXQXGMKU-UHFFFAOYSA-N -1 3 350.777 3.431 20 10 FGCDHM O=C1CCCCN1[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000769340648 723682864 /nfs/dbraw/zinc/68/28/64/723682864.db2.gz CNGRUFVNOGFARM-AWEZNQCLSA-N -1 3 367.287 3.132 20 10 FGCDHM Cc1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000771060133 723727007 /nfs/dbraw/zinc/72/70/07/723727007.db2.gz VSYWCQVOEMUAGX-CQSZACIVSA-N -1 3 365.886 3.205 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2ccc(CNC(N)=O)cc2)c1 ZINC000775967906 724090779 /nfs/dbraw/zinc/09/07/79/724090779.db2.gz XONZTBQUIGDZMR-UHFFFAOYSA-N -1 3 364.243 3.244 20 10 FGCDHM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000776343849 724134498 /nfs/dbraw/zinc/13/44/98/724134498.db2.gz JVMDFIGBZJPJAI-CYBMUJFWSA-N -1 3 360.841 3.316 20 10 FGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cc(OC)ccc1F ZINC000816506961 727169326 /nfs/dbraw/zinc/16/93/26/727169326.db2.gz RODYYZZQHDMZOR-UHFFFAOYSA-N -1 3 367.804 3.369 20 10 FGCDHM CN(C)CC(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816527145 727171941 /nfs/dbraw/zinc/17/19/41/727171941.db2.gz YRLPVGCGAVCPKP-UHFFFAOYSA-N -1 3 351.809 3.297 20 10 FGCDHM Cc1ccc(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)c1 ZINC000826291624 729406866 /nfs/dbraw/zinc/40/68/66/729406866.db2.gz OANKNAMSWZTKNY-UHFFFAOYSA-N -1 3 373.873 3.450 20 10 FGCDHM Cc1ccc(NC(=S)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)c1 ZINC000826291624 729406868 /nfs/dbraw/zinc/40/68/68/729406868.db2.gz OANKNAMSWZTKNY-UHFFFAOYSA-N -1 3 373.873 3.450 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCN(CC(F)(F)F)C[C@H](C)C2)c1[O-] ZINC000832285750 729702544 /nfs/dbraw/zinc/70/25/44/729702544.db2.gz WVNAPUSIFARGNC-LLVKDONJSA-N -1 3 362.367 3.050 20 10 FGCDHM COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000840917985 730191237 /nfs/dbraw/zinc/19/12/37/730191237.db2.gz NKPUDAYLSKVFGL-UHFFFAOYSA-N -1 3 371.842 3.310 20 10 FGCDHM CC(C)(C)CC(=O)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862219772 732788435 /nfs/dbraw/zinc/78/84/35/732788435.db2.gz SODWJBSIYWHYBC-UHFFFAOYSA-N -1 3 369.303 3.235 20 10 FGCDHM CC(C)(C)c1ccc(S(=O)(=O)[N-]N=c2[nH]c3ccncc3s2)s1 ZINC000872385071 735622333 /nfs/dbraw/zinc/62/23/33/735622333.db2.gz RRWFDKWYZNEMOZ-UHFFFAOYSA-N -1 3 368.509 3.356 20 10 FGCDHM COc1ccc2c(c1)C(=O)N(C)[C@H](c1c([O-])cccc1Br)N2 ZINC000877851957 736735575 /nfs/dbraw/zinc/73/55/75/736735575.db2.gz QJTSLKBFDLCUBY-OAHLLOKOSA-N -1 3 363.211 3.360 20 10 FGCDHM COC(=O)c1cnc(C2CCN(Cc3cc(F)cc(F)c3[O-])CC2)s1 ZINC000895392879 742406414 /nfs/dbraw/zinc/40/64/14/742406414.db2.gz UKSYUGWFAOLFEF-UHFFFAOYSA-N -1 3 368.405 3.293 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1ccn(C)c1 ZINC000081510959 493905773 /nfs/dbraw/zinc/90/57/73/493905773.db2.gz ASQQCWWKIPZSBZ-UHFFFAOYSA-N -1 3 366.259 3.225 20 10 FGCDHM CCOCCCNC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000073438305 494371664 /nfs/dbraw/zinc/37/16/64/494371664.db2.gz AUYPXEQMGHLKDB-UHFFFAOYSA-N -1 3 359.264 3.113 20 10 FGCDHM CCOc1ccc([C@H](C)NC(=O)CN(C)Cc2ccccc2[O-])cc1OC ZINC000109773209 494916977 /nfs/dbraw/zinc/91/69/77/494916977.db2.gz LINHFRKLPZPKBI-HNNXBMFYSA-N -1 3 372.465 3.109 20 10 FGCDHM Cc1nc(C)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000134266506 495128127 /nfs/dbraw/zinc/12/81/27/495128127.db2.gz FOMHQCZNIOCHCJ-HNNXBMFYSA-N -1 3 363.845 3.045 20 10 FGCDHM Cc1ccc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c([O-])c1O ZINC000182971742 495779567 /nfs/dbraw/zinc/77/95/67/495779567.db2.gz FSCUCFBIVMVTEP-UHFFFAOYSA-N -1 3 359.397 3.367 20 10 FGCDHM CC(C)[C@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCO1 ZINC000277334655 496739743 /nfs/dbraw/zinc/73/97/43/496739743.db2.gz VHLQXVNCLGRHQQ-GDBMZVCRSA-N -1 3 366.845 3.013 20 10 FGCDHM COc1cc(Cl)cc(CN2CCn3c(C(C)C)nnc3[C@H]2C)c1[O-] ZINC000188458576 496797264 /nfs/dbraw/zinc/79/72/64/496797264.db2.gz DMBPPZPGRMAEQT-LLVKDONJSA-N -1 3 350.850 3.346 20 10 FGCDHM CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1[O-])c1nnc2n1CCCCC2 ZINC000273610957 496853044 /nfs/dbraw/zinc/85/30/44/496853044.db2.gz VUDTZHHJHJUMEJ-BBRMVZONSA-N -1 3 372.469 3.299 20 10 FGCDHM COc1c([O-])c(CNc2ccc(C(=O)NC(C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC000278489066 497131740 /nfs/dbraw/zinc/13/17/40/497131740.db2.gz LBIUXOUUOZEIAC-UHFFFAOYSA-N -1 3 373.409 3.368 20 10 FGCDHM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1OC ZINC000274770039 497161096 /nfs/dbraw/zinc/16/10/96/497161096.db2.gz ILTZYXCODQMOPZ-UHFFFAOYSA-N -1 3 351.424 3.135 20 10 FGCDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC000301155765 497975127 /nfs/dbraw/zinc/97/51/27/497975127.db2.gz AALWTHSYWGJJPI-CQSZACIVSA-N -1 3 362.817 3.425 20 10 FGCDHM COc1c([O-])c(CN2CC[C@H](n3ncc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000365123302 498308019 /nfs/dbraw/zinc/30/80/19/498308019.db2.gz UTLCDNZQAAQITJ-HNNXBMFYSA-N -1 3 368.393 3.106 20 10 FGCDHM COc1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1[O-] ZINC000289857894 498324612 /nfs/dbraw/zinc/32/46/12/498324612.db2.gz VIEPGHQXWQQLCP-ZYHUDNBSSA-N -1 3 353.768 3.047 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1[O-] ZINC000286711034 498483402 /nfs/dbraw/zinc/48/34/02/498483402.db2.gz WTAOSJYHLHFTBU-BXUZGUMPSA-N -1 3 365.779 3.241 20 10 FGCDHM CCn1cnnc1[C@H]1CN([C@H](C)c2ccc3ccccc3c2[O-])CCO1 ZINC000365525685 498513461 /nfs/dbraw/zinc/51/34/61/498513461.db2.gz CWPKKLMKOUOQTH-RDTXWAMCSA-N -1 3 352.438 3.291 20 10 FGCDHM COc1c([O-])c(CN2CCC[C@@H]2Cn2ccnc2C(C)C)ccc1[N+](=O)[O-] ZINC000365826982 498657571 /nfs/dbraw/zinc/65/75/71/498657571.db2.gz RFBBHAPAGZBMDJ-OAHLLOKOSA-N -1 3 374.441 3.294 20 10 FGCDHM COCc1nc(CNCc2cc(Br)cc(C)c2[O-])cs1 ZINC000291519981 498975067 /nfs/dbraw/zinc/97/50/67/498975067.db2.gz JAWVKZQSJYYCJH-UHFFFAOYSA-N -1 3 357.273 3.356 20 10 FGCDHM Cc1ccc(C(=O)N2CCC(OCc3ccccc3F)CC2)c([O-])c1O ZINC000371570832 499343331 /nfs/dbraw/zinc/34/33/31/499343331.db2.gz DTMLWYOWNYJMJT-UHFFFAOYSA-N -1 3 359.397 3.367 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2[C@@H]2CCCN2C(C)=O)c1[O-] ZINC000375875067 499564089 /nfs/dbraw/zinc/56/40/89/499564089.db2.gz SDNRDADAFCXFJA-ROUUACIJSA-N -1 3 364.873 3.224 20 10 FGCDHM C[C@@H]1CC[S@@](=O)CCN1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000375933581 499569885 /nfs/dbraw/zinc/56/98/85/499569885.db2.gz RTABABPCNASGCR-PUAOIOHZSA-N -1 3 359.491 3.314 20 10 FGCDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3ccc(N(C)C)cc3)c2c1 ZINC000737248700 599259210 /nfs/dbraw/zinc/25/92/10/599259210.db2.gz LALZFOPPTBXEQA-UHFFFAOYSA-N -1 3 373.464 3.132 20 10 FGCDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3ccc(N(C)C)cc3)c2c1 ZINC000737248700 599259211 /nfs/dbraw/zinc/25/92/11/599259211.db2.gz LALZFOPPTBXEQA-UHFFFAOYSA-N -1 3 373.464 3.132 20 10 FGCDHM Cc1cc(C(=O)NCCCC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235356 598610495 /nfs/dbraw/zinc/61/04/95/598610495.db2.gz TWUHFPZNUHPRKF-UHFFFAOYSA-N -1 3 366.469 3.440 20 10 FGCDHM CC[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736402858 598611438 /nfs/dbraw/zinc/61/14/38/598611438.db2.gz OZPPJMVAAWQIBV-INIZCTEOSA-N -1 3 364.453 3.289 20 10 FGCDHM O=C([O-])N1CC[C@@]2(C1)C[C@H](NCc1ccccc1O)c1ccccc1O2 ZINC000834088317 605636670 /nfs/dbraw/zinc/63/66/70/605636670.db2.gz WSLMAMFWHQETTH-JXFKEZNVSA-N -1 3 354.406 3.128 20 10 FGCDHM O=C([O-])N1CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccccc1[O-])c1ccccc1O2 ZINC000834088317 605636673 /nfs/dbraw/zinc/63/66/73/605636673.db2.gz WSLMAMFWHQETTH-JXFKEZNVSA-N -1 3 354.406 3.128 20 10 FGCDHM CC(C)(C)c1cnc(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000819965377 607118253 /nfs/dbraw/zinc/11/82/53/607118253.db2.gz DHKADCDXFUYZMN-UHFFFAOYSA-N -1 3 363.428 3.075 20 10 FGCDHM COc1cccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1O ZINC000826216010 608377191 /nfs/dbraw/zinc/37/71/91/608377191.db2.gz GQYAYDCWQBOLMV-UHFFFAOYSA-N -1 3 365.315 3.212 20 10 FGCDHM COc1cccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1O ZINC000826216010 608377193 /nfs/dbraw/zinc/37/71/93/608377193.db2.gz GQYAYDCWQBOLMV-UHFFFAOYSA-N -1 3 365.315 3.212 20 10 FGCDHM [O-]c1ccc(Cl)cc1CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000093512674 700451752 /nfs/dbraw/zinc/45/17/52/700451752.db2.gz RBGFYYSWENWQAG-UHFFFAOYSA-N -1 3 352.265 3.412 20 10 FGCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1Br ZINC000096743412 700459541 /nfs/dbraw/zinc/45/95/41/700459541.db2.gz NPAIJXZOHPIYGB-UHFFFAOYSA-N -1 3 372.240 3.273 20 10 FGCDHM [O-]c1ccc(Cl)cc1CN1CCN(Cc2cn3ccccc3n2)CC1 ZINC000121894076 700682100 /nfs/dbraw/zinc/68/21/00/700682100.db2.gz FYEGRLMNAVNLIF-UHFFFAOYSA-N -1 3 356.857 3.011 20 10 FGCDHM CCN(Cc1cc(C)cc(Br)c1[O-])C[C@@H](O)C(F)(F)F ZINC000779192132 724398753 /nfs/dbraw/zinc/39/87/53/724398753.db2.gz GDCZEIFOYBJCKT-LLVKDONJSA-N -1 3 356.182 3.208 20 10 FGCDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1OCC ZINC000740704824 722537107 /nfs/dbraw/zinc/53/71/07/722537107.db2.gz BCHWHVMHGHFDTN-UHFFFAOYSA-N -1 3 351.424 3.299 20 10 FGCDHM CCc1nnc([C@@H](C)N[C@@H](C)c2cc(Br)cc(F)c2[O-])[nH]1 ZINC000756779618 722969962 /nfs/dbraw/zinc/96/99/62/722969962.db2.gz UMAPRFOGSQOILZ-JGVFFNPUSA-N -1 3 357.227 3.386 20 10 FGCDHM C[C@@H](NCc1ccnc(N(C)C)n1)c1cc(Br)cc(F)c1[O-] ZINC000756790783 722970127 /nfs/dbraw/zinc/97/01/27/722970127.db2.gz PHLXBIGVLIRCLW-SECBINFHSA-N -1 3 369.238 3.001 20 10 FGCDHM CS(=O)(=O)Cc1ccc(CNCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790948010 723197856 /nfs/dbraw/zinc/19/78/56/723197856.db2.gz FDXAEMFNLCACLL-UHFFFAOYSA-N -1 3 357.834 3.019 20 10 FGCDHM COCC(=O)Nc1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000790948849 723198267 /nfs/dbraw/zinc/19/82/67/723198267.db2.gz HHNLRRNRECCYPG-UHFFFAOYSA-N -1 3 352.793 3.059 20 10 FGCDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Br)cn1 ZINC000793334815 723426250 /nfs/dbraw/zinc/42/62/50/723426250.db2.gz SDAITDMTTIFEMZ-SECBINFHSA-N -1 3 352.188 3.309 20 10 FGCDHM CCc1nc(C)c(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])o1 ZINC000794413983 723519480 /nfs/dbraw/zinc/51/94/80/723519480.db2.gz YJFWFKNCPFSFEF-UHFFFAOYSA-N -1 3 352.818 3.080 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN[C@@H](c2nncn2C)C(C)C)c1 ZINC000796453855 723638407 /nfs/dbraw/zinc/63/84/07/723638407.db2.gz NERIXEVTIAGMDY-CYBMUJFWSA-N -1 3 353.264 3.079 20 10 FGCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCCS1 ZINC000768912056 723672027 /nfs/dbraw/zinc/67/20/27/723672027.db2.gz LYBXLNJGZOKBDJ-GDBMZVCRSA-N -1 3 354.903 3.022 20 10 FGCDHM COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1Br ZINC000770490232 723715008 /nfs/dbraw/zinc/71/50/08/723715008.db2.gz HQUIFBALBWUHQF-UHFFFAOYSA-N -1 3 352.184 3.430 20 10 FGCDHM COc1c([O-])c(CN(C)Cc2cc(F)c(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000775051876 723956413 /nfs/dbraw/zinc/95/64/13/723956413.db2.gz QILIUAQAHORGJP-UHFFFAOYSA-N -1 3 356.300 3.358 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697341 725259941 /nfs/dbraw/zinc/25/99/41/725259941.db2.gz FDASZJBPMYZLOY-WDEREUQCSA-N -1 3 368.193 3.147 20 10 FGCDHM CC(C)c1nnc(CN[C@@H](C)c2cc(Br)c(F)cc2[O-])[nH]1 ZINC000834871139 729840038 /nfs/dbraw/zinc/84/00/38/729840038.db2.gz MASWUXPHLJIGJD-QMMMGPOBSA-N -1 3 357.227 3.386 20 10 FGCDHM Cc1ccc(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)c([O-])c1O ZINC000869637961 733759096 /nfs/dbraw/zinc/75/90/96/733759096.db2.gz WBTFBNNDHPYYQH-UHFFFAOYSA-N -1 3 369.271 3.164 20 10 FGCDHM C[C@@](CO)(NCc1ccc(F)c(F)c1[O-])c1ccc(Br)cc1 ZINC000877515470 736677109 /nfs/dbraw/zinc/67/71/09/736677109.db2.gz GGGSQFWWJFFYID-INIZCTEOSA-N -1 3 372.209 3.430 20 10 FGCDHM CN(C)Cc1ccnc(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000880601272 737191715 /nfs/dbraw/zinc/19/17/15/737191715.db2.gz RFTVUMKVYYRDCX-UHFFFAOYSA-N -1 3 369.252 3.477 20 10 FGCDHM CCS(=O)(=O)N(C)c1ccc(N[C@H](C)c2c([O-])cccc2F)cc1 ZINC000886638088 739277797 /nfs/dbraw/zinc/27/77/97/739277797.db2.gz LLURNZLEMGFKGI-GFCCVEGCSA-N -1 3 352.431 3.490 20 10 FGCDHM CCOC(=O)c1ccc(CNCc2cc(Br)cc(F)c2[O-])o1 ZINC000894769023 742330731 /nfs/dbraw/zinc/33/07/31/742330731.db2.gz DDOKQOSDFUIETA-UHFFFAOYSA-N -1 3 372.190 3.353 20 10 FGCDHM C[C@@]1(C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)COC(=O)N1 ZINC000896461879 742555959 /nfs/dbraw/zinc/55/59/59/742555959.db2.gz YDDWZINYBDUBGS-INIZCTEOSA-N -1 3 359.253 3.410 20 10 FGCDHM O=C(NCc1c([O-])cccc1F)c1sc(N2CCCC2)nc1Cl ZINC000928711666 760242804 /nfs/dbraw/zinc/24/28/04/760242804.db2.gz KZVAHFTWFARCEN-UHFFFAOYSA-N -1 3 355.822 3.171 20 10 FGCDHM [O-]c1ccccc1CN(Cc1nnc(-c2ccco2)o1)C[C@@H]1CCCO1 ZINC000078680593 494343186 /nfs/dbraw/zinc/34/31/86/494343186.db2.gz DNBAQHRCZZNSSE-HNNXBMFYSA-N -1 3 355.394 3.216 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCN([C@@H](C)c3cccnc3)CC2)c1[O-] ZINC000079436435 494453721 /nfs/dbraw/zinc/45/37/21/494453721.db2.gz GMGQOPBHRVQXSY-AWEZNQCLSA-N -1 3 357.429 3.008 20 10 FGCDHM Cc1cccc([C@@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000094034576 494942218 /nfs/dbraw/zinc/94/22/18/494942218.db2.gz WNLJEICWAUNXEQ-KRWDZBQOSA-N -1 3 374.462 3.049 20 10 FGCDHM CS(=O)(=O)CCOc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000127644855 494975339 /nfs/dbraw/zinc/97/53/39/494975339.db2.gz NRSUASDVLDCORK-UHFFFAOYSA-N -1 3 355.843 3.081 20 10 FGCDHM CN(CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1ccccc1[O-] ZINC000111235494 495052704 /nfs/dbraw/zinc/05/27/04/495052704.db2.gz XGABUXYPBWXGEW-UHFFFAOYSA-N -1 3 356.344 3.008 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CC[C@H]1CCOC1 ZINC000176205319 495545965 /nfs/dbraw/zinc/54/59/65/495545965.db2.gz QAGFOEDMGYNZAL-LBPRGKRZSA-N -1 3 356.260 3.320 20 10 FGCDHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(N(C)C)cc2)c1OC ZINC000277419954 496768188 /nfs/dbraw/zinc/76/81/88/496768188.db2.gz SVDNMEGINFVSMP-QGZVFWFLSA-N -1 3 358.438 3.075 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccnc(N3CCCCC3)c2)c1 ZINC000273375793 496787367 /nfs/dbraw/zinc/78/73/67/496787367.db2.gz HDQDNWFSDCKDBU-HNNXBMFYSA-N -1 3 369.465 3.415 20 10 FGCDHM CN(C)c1cccc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)c1 ZINC000277581659 496819963 /nfs/dbraw/zinc/81/99/63/496819963.db2.gz YKYQXXRMJOESRV-UHFFFAOYSA-N -1 3 373.840 3.076 20 10 FGCDHM C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000273576938 496844765 /nfs/dbraw/zinc/84/47/65/496844765.db2.gz MASZJMDIKPCOJL-VXGBXAGGSA-N -1 3 355.394 3.231 20 10 FGCDHM C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N(C)Cc1ccccc1[O-] ZINC000264753258 496977549 /nfs/dbraw/zinc/97/75/49/496977549.db2.gz WXMOOTWUGFITIQ-HNNXBMFYSA-N -1 3 351.450 3.053 20 10 FGCDHM CN1CCc2ccc(N3C(=O)CN(Cc4cc(Cl)ccc4[O-])C3=O)cc21 ZINC000278227368 497043932 /nfs/dbraw/zinc/04/39/32/497043932.db2.gz RVFXYQSEDGHCMC-UHFFFAOYSA-N -1 3 371.824 3.007 20 10 FGCDHM CCOC(=O)c1ccc(CNCc2cccc(Br)c2[O-])o1 ZINC000278292464 497064536 /nfs/dbraw/zinc/06/45/36/497064536.db2.gz CSOVOYOTWMYPPQ-UHFFFAOYSA-N -1 3 354.200 3.214 20 10 FGCDHM CCCOc1ccc(CN[C@H](C(=O)OC)c2ccc(OC)cc2)c([O-])c1 ZINC000275127062 497240688 /nfs/dbraw/zinc/24/06/88/497240688.db2.gz KUIQBTAVSYMCNJ-IBGZPJMESA-N -1 3 359.422 3.194 20 10 FGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H](OC1CCOCC1)c1ccccc1 ZINC000279854500 497565280 /nfs/dbraw/zinc/56/52/80/497565280.db2.gz PFMXOEHEFRNNBJ-VBKZILBWSA-N -1 3 371.433 3.153 20 10 FGCDHM Cc1ccc(C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)c([O-])c1O ZINC000272731171 497715120 /nfs/dbraw/zinc/71/51/20/497715120.db2.gz KAWSKGYSQVXVQC-AWEZNQCLSA-N -1 3 351.406 3.061 20 10 FGCDHM COc1cc(C(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)cc(OC)c1[O-] ZINC000364685217 498089202 /nfs/dbraw/zinc/08/92/02/498089202.db2.gz YCIPXBKHNCOXER-UHFFFAOYSA-N -1 3 368.433 3.015 20 10 FGCDHM COCCn1ncc2c1[C@H](N[C@H](C)c1ccc(F)c(F)c1[O-])CCC2 ZINC000364798664 498148411 /nfs/dbraw/zinc/14/84/11/498148411.db2.gz ZPWLRELSZGQCOB-IAQYHMDHSA-N -1 3 351.397 3.242 20 10 FGCDHM COCCN(Cc1cccnc1)Cc1cc(Br)ccc1[O-] ZINC000289468967 498157283 /nfs/dbraw/zinc/15/72/83/498157283.db2.gz PENDEBBBPPJVHR-UHFFFAOYSA-N -1 3 351.244 3.198 20 10 FGCDHM CC[C@@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(F)cc1[O-] ZINC000286207702 498324716 /nfs/dbraw/zinc/32/47/16/498324716.db2.gz RXAYTPAJVFCWCC-LJQANCHMSA-N -1 3 372.440 3.245 20 10 FGCDHM COc1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1[O-] ZINC000289857889 498325273 /nfs/dbraw/zinc/32/52/73/498325273.db2.gz VIEPGHQXWQQLCP-JQWIXIFHSA-N -1 3 353.768 3.047 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CC12CCOCC2 ZINC000365789623 498641199 /nfs/dbraw/zinc/64/11/99/498641199.db2.gz YQPKPFMDTQPIIN-CQSZACIVSA-N -1 3 368.271 3.320 20 10 FGCDHM COc1ccc(CS(C)(=O)=O)cc1N[C@H](C)c1ccc(F)cc1[O-] ZINC000287649315 498825360 /nfs/dbraw/zinc/82/53/60/498825360.db2.gz UWFDVACMKUKPSC-LLVKDONJSA-N -1 3 353.415 3.258 20 10 FGCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CCSCC1 ZINC000363709673 498953810 /nfs/dbraw/zinc/95/38/10/498953810.db2.gz MOGHRMMEKQGFDT-MRXNPFEDSA-N -1 3 368.930 3.269 20 10 FGCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CCSCC1 ZINC000363709672 498954229 /nfs/dbraw/zinc/95/42/29/498954229.db2.gz MOGHRMMEKQGFDT-INIZCTEOSA-N -1 3 368.930 3.269 20 10 FGCDHM CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cccc(O)c1[O-] ZINC000363995452 499079405 /nfs/dbraw/zinc/07/94/05/499079405.db2.gz QCFKAVAPEBKDDI-UHFFFAOYSA-N -1 3 369.396 3.332 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000370498721 499226156 /nfs/dbraw/zinc/22/61/56/499226156.db2.gz IKRUIBBWALADKI-UHFFFAOYSA-N -1 3 365.389 3.168 20 10 FGCDHM COc1cccc(C(=O)NC2CCN(Cc3cccc(Cl)c3[O-])CC2)c1 ZINC000371477671 499332092 /nfs/dbraw/zinc/33/20/92/499332092.db2.gz OEXZHXGPMKJGOX-UHFFFAOYSA-N -1 3 374.868 3.449 20 10 FGCDHM Cc1cc(C(=O)N(C)C2CCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226665 598610043 /nfs/dbraw/zinc/61/00/43/598610043.db2.gz DQUZMFOHRUWEES-UHFFFAOYSA-N -1 3 364.453 3.289 20 10 FGCDHM CCN(C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(C)C ZINC000736505406 598610276 /nfs/dbraw/zinc/61/02/76/598610276.db2.gz IGJWJGQNWRBWMX-UHFFFAOYSA-N -1 3 352.442 3.145 20 10 FGCDHM Cc1ncc(C=CC(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737490785 598763594 /nfs/dbraw/zinc/76/35/94/598763594.db2.gz XJYRKMIDTGLEQT-HJWRWDBZSA-N -1 3 368.466 3.334 20 10 FGCDHM Cc1ncc(C=CC(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737490785 598763595 /nfs/dbraw/zinc/76/35/95/598763595.db2.gz XJYRKMIDTGLEQT-HJWRWDBZSA-N -1 3 368.466 3.334 20 10 FGCDHM CN(C(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccccc1-c1nnn[n-]1 ZINC000825812488 607788250 /nfs/dbraw/zinc/78/82/50/607788250.db2.gz LAXOCBSRSYUVER-MDZDMXLPSA-N -1 3 368.466 3.297 20 10 FGCDHM CN(C(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccccc1-c1nn[n-]n1 ZINC000825812488 607788251 /nfs/dbraw/zinc/78/82/51/607788251.db2.gz LAXOCBSRSYUVER-MDZDMXLPSA-N -1 3 368.466 3.297 20 10 FGCDHM COCc1ccc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])cc1 ZINC000093277079 700449372 /nfs/dbraw/zinc/44/93/72/700449372.db2.gz SRQGMZKJRQMBIO-UHFFFAOYSA-N -1 3 363.841 3.367 20 10 FGCDHM [O-]c1ccc(Cl)cc1CN1CCN(c2ncnc3sccc32)CC1 ZINC000125646522 700737831 /nfs/dbraw/zinc/73/78/31/700737831.db2.gz AUKHKENGFKMKDW-UHFFFAOYSA-N -1 3 360.870 3.373 20 10 FGCDHM Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1cc(O)cc(Br)c1[O-])N2 ZINC000153701739 705009226 /nfs/dbraw/zinc/00/92/26/705009226.db2.gz RGPSUMSEGMOWBW-HNNXBMFYSA-N -1 3 363.211 3.365 20 10 FGCDHM CS(=O)(=O)CCN(Cc1c2c(ccc1[O-])oc1c2CCCC1)C1CC1 ZINC000157103157 705143906 /nfs/dbraw/zinc/14/39/06/705143906.db2.gz IEVHAYWXJGVDRV-UHFFFAOYSA-N -1 3 363.479 3.026 20 10 FGCDHM COc1ccc([C@H](CO)N(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1 ZINC000177168750 705610456 /nfs/dbraw/zinc/61/04/56/705610456.db2.gz BGIOWVYRHZXKMC-SFHVURJKSA-N -1 3 363.841 3.422 20 10 FGCDHM CNC(=O)c1ccc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1 ZINC000177237531 705614364 /nfs/dbraw/zinc/61/43/64/705614364.db2.gz YBLUSDMYOLRLQT-UHFFFAOYSA-N -1 3 360.841 3.240 20 10 FGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000189425146 712793842 /nfs/dbraw/zinc/79/38/42/712793842.db2.gz HJCZKCRWTNVREX-UHFFFAOYSA-N -1 3 357.378 3.399 20 10 FGCDHM C[C@H]1CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCS1(=O)=O ZINC000191310859 712833993 /nfs/dbraw/zinc/83/39/93/712833993.db2.gz MUTWAWFFVOBFLZ-ZDUSSCGKSA-N -1 3 363.479 3.026 20 10 FGCDHM C[C@@H]1CCS(=O)(=O)CCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000191332559 712834288 /nfs/dbraw/zinc/83/42/88/712834288.db2.gz NKSQZFOONPHXSG-CYBMUJFWSA-N -1 3 363.479 3.026 20 10 FGCDHM C[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1n1ccnc1 ZINC000245684805 713609983 /nfs/dbraw/zinc/60/99/83/713609983.db2.gz AFFNVBVASDYUGM-IAQYHMDHSA-N -1 3 350.806 3.233 20 10 FGCDHM CC[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])C[C@@]2(CCOC2)O1 ZINC000793360873 723429704 /nfs/dbraw/zinc/42/97/04/723429704.db2.gz GXPJQUPISKFYHI-RHSMWYFYSA-N -1 3 370.287 3.233 20 10 FGCDHM O=C([N-]Cc1cc(Br)ccc1O)C(F)(F)c1nccs1 ZINC000804738259 724548149 /nfs/dbraw/zinc/54/81/49/724548149.db2.gz JIOKFUGRXHNYMO-UHFFFAOYSA-N -1 3 363.183 3.019 20 10 FGCDHM Cc1cc(Br)c([O-])c([C@@H]2NC(=N)Nc3nc4ccccc4n32)c1 ZINC000781554227 724573848 /nfs/dbraw/zinc/57/38/48/724573848.db2.gz IWPZCIQDENNTHS-CQSZACIVSA-N -1 3 372.226 3.310 20 10 FGCDHM CCN(CC)C(=O)[C@@H]1CCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781903357 724610037 /nfs/dbraw/zinc/61/00/37/724610037.db2.gz ZSVDHWSPTRQFDM-HNNXBMFYSA-N -1 3 369.303 3.296 20 10 FGCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCCCS1 ZINC000783587122 724768528 /nfs/dbraw/zinc/76/85/28/724768528.db2.gz BFXSFIHTHFNTDR-NVXWUHKLSA-N -1 3 368.930 3.412 20 10 FGCDHM COC(=O)[C@H]1CC12CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])CC2 ZINC000750047478 722752886 /nfs/dbraw/zinc/75/28/86/722752886.db2.gz QVXUFCUUJIHLAZ-OAHLLOKOSA-N -1 3 351.830 3.023 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000750821778 722782399 /nfs/dbraw/zinc/78/23/99/722782399.db2.gz BQTCXVTYVRBUOT-UHFFFAOYSA-N -1 3 351.418 3.288 20 10 FGCDHM COC(=O)c1ccc(NCc2cc(C)cc(Br)c2[O-])cn1 ZINC000758473067 722990440 /nfs/dbraw/zinc/99/04/40/722990440.db2.gz YFDLMPFJPXEYKA-UHFFFAOYSA-N -1 3 351.200 3.257 20 10 FGCDHM O=C1/C(=C/c2c(F)ccc([O-])c2F)SC(=S)N1c1cccnc1 ZINC000794930964 723552253 /nfs/dbraw/zinc/55/22/53/723552253.db2.gz IEWYHYUKKLSYIW-SDQBBNPISA-N -1 3 350.371 3.471 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000796032113 723618250 /nfs/dbraw/zinc/61/82/50/723618250.db2.gz NWCBSXYLYMOXSY-SUMWQHHRSA-N -1 3 370.287 3.233 20 10 FGCDHM O=C(NC1CCCCC1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768264478 723652131 /nfs/dbraw/zinc/65/21/31/723652131.db2.gz QCXREGQSEAZAFW-UHFFFAOYSA-N -1 3 351.878 3.206 20 10 FGCDHM CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1=CCCCC1 ZINC000774539600 723904674 /nfs/dbraw/zinc/90/46/74/723904674.db2.gz JLDDBZPLFSILQA-UHFFFAOYSA-N -1 3 366.483 3.020 20 10 FGCDHM COc1c([O-])c(CNc2ccc(SCCCO)cc2)ccc1[N+](=O)[O-] ZINC000774938442 723944016 /nfs/dbraw/zinc/94/40/16/723944016.db2.gz YMXKYUKJFZDUGW-UHFFFAOYSA-N -1 3 364.423 3.396 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2ccc(-c3cnn(C)c3)nn2)c1 ZINC000788399105 725062266 /nfs/dbraw/zinc/06/22/66/725062266.db2.gz DDXGIZIDKYHYGT-UHFFFAOYSA-N -1 3 374.242 3.266 20 10 FGCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1C(=O)OC(C)C ZINC000808093631 725183302 /nfs/dbraw/zinc/18/33/02/725183302.db2.gz REFMJSBEJSSLMX-UHFFFAOYSA-N -1 3 363.435 3.375 20 10 FGCDHM CCOC(=O)CC(C)(C)CC(=O)C([O-])=Cc1coc(-c2cccs2)n1 ZINC000808093349 725183309 /nfs/dbraw/zinc/18/33/09/725183309.db2.gz MRIBTSKPOLBFDE-UHFFFAOYSA-N -1 3 363.435 3.453 20 10 FGCDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])C2)nc1 ZINC000816513908 727170257 /nfs/dbraw/zinc/17/02/57/727170257.db2.gz GMIDTTOIXDYSSD-LLVKDONJSA-N -1 3 366.780 3.174 20 10 FGCDHM CC(=O)NCCN(Cc1ccsc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816600212 727179458 /nfs/dbraw/zinc/17/94/58/727179458.db2.gz OXISVFZLNWCFON-UHFFFAOYSA-N -1 3 356.850 3.385 20 10 FGCDHM CCc1nsc(N2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)n1 ZINC000824855516 729362525 /nfs/dbraw/zinc/36/25/25/729362525.db2.gz MOSOHVOGQVNRPK-UHFFFAOYSA-N -1 3 352.891 3.090 20 10 FGCDHM CC(C)(C)c1nnc2n1CCN(Cc1cc(Br)ccc1[O-])C2 ZINC000827793924 729434989 /nfs/dbraw/zinc/43/49/89/729434989.db2.gz WGZYHIXVPGQFMO-UHFFFAOYSA-N -1 3 365.275 3.060 20 10 FGCDHM C[C@@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840795795 730175018 /nfs/dbraw/zinc/17/50/18/730175018.db2.gz CDSDQKZPJJZILB-WKFLNTIRSA-N -1 3 364.423 3.286 20 10 FGCDHM O=C([O-])[C@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000840995424 730202011 /nfs/dbraw/zinc/20/20/11/730202011.db2.gz LGBBIHYAXUNTRC-AWEZNQCLSA-N -1 3 367.287 3.346 20 10 FGCDHM CCc1nccn1[C@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000843865976 730661742 /nfs/dbraw/zinc/66/17/42/730661742.db2.gz BHFURIWQPIEESL-LLVKDONJSA-N -1 3 366.259 3.181 20 10 FGCDHM CCCO[N-]C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000844082948 730683531 /nfs/dbraw/zinc/68/35/31/730683531.db2.gz JVABKRMWYRMCAF-ZRDIBKRKSA-N -1 3 370.521 3.187 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CNc2ccc([C@H]3CNCCO3)cc2)c1[O-] ZINC000849353117 731251721 /nfs/dbraw/zinc/25/17/21/731251721.db2.gz ZDJYIHMMYIYCQR-MRXNPFEDSA-N -1 3 363.801 3.227 20 10 FGCDHM Cn1cc([C@H](NCc2cc(Br)ccc2[O-])C(F)(F)F)cn1 ZINC000858163572 732187701 /nfs/dbraw/zinc/18/77/01/732187701.db2.gz HKZWPNODBVHDMS-LBPRGKRZSA-N -1 3 364.165 3.281 20 10 FGCDHM CCN(CCNC(=O)OC(C)(C)C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000859530074 732344920 /nfs/dbraw/zinc/34/49/20/732344920.db2.gz FYDPIFQMHHGZAN-UHFFFAOYSA-N -1 3 354.422 3.081 20 10 FGCDHM COc1cc(Cl)cc([C@@H]2NC(C)(C)C(=O)N2CC2CCCC2)c1[O-] ZINC000877856796 736735836 /nfs/dbraw/zinc/73/58/36/736735836.db2.gz HTISECLLFGMLBX-MRXNPFEDSA-N -1 3 352.862 3.453 20 10 FGCDHM [O-]c1c(F)cc(Br)cc1CN(CCCO)Cc1ccccn1 ZINC000894770966 742331412 /nfs/dbraw/zinc/33/14/12/742331412.db2.gz UHIJECDINDZKSZ-UHFFFAOYSA-N -1 3 369.234 3.073 20 10 FGCDHM CC(C)(C)n1ncc(C(=O)NCc2c([O-])cccc2F)c1Br ZINC000928711849 760243156 /nfs/dbraw/zinc/24/31/56/760243156.db2.gz QJAWXITVEMAMAN-UHFFFAOYSA-N -1 3 370.222 3.175 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2nnc3n2CCCCC3)c1[O-] ZINC000079398299 494447038 /nfs/dbraw/zinc/44/70/38/494447038.db2.gz YNMRMQDCZUSSBC-KRWDZBQOSA-N -1 3 372.444 3.389 20 10 FGCDHM CCCOc1ccc(CN(C)[C@@H]2CS(=O)(=O)c3ccccc32)c([O-])c1 ZINC000092072892 494777324 /nfs/dbraw/zinc/77/73/24/494777324.db2.gz HLWSNEMJSWUDHI-QGZVFWFLSA-N -1 3 361.463 3.141 20 10 FGCDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2cn(-c3ccccc3)nn2)c1[O-] ZINC000185476102 495592074 /nfs/dbraw/zinc/59/20/74/495592074.db2.gz BZWWOMRJMNOOGV-GFCCVEGCSA-N -1 3 354.385 3.165 20 10 FGCDHM CN(Cc1cc(F)ccc1[O-])[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000180285208 495936210 /nfs/dbraw/zinc/93/62/10/495936210.db2.gz WOVFEKFYKZGTEM-CQSZACIVSA-N -1 3 355.818 3.145 20 10 FGCDHM CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])CC2 ZINC000177290527 496007873 /nfs/dbraw/zinc/00/78/73/496007873.db2.gz XPMKZJRRGOHQEY-IAGOWNOFSA-N -1 3 367.873 3.000 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CC1CCOCC1 ZINC000175843470 496569094 /nfs/dbraw/zinc/56/90/94/496569094.db2.gz KQZISCLACOPCEY-UHFFFAOYSA-N -1 3 356.260 3.320 20 10 FGCDHM C[C@H](NCc1ccccc1CN1CCCC1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273387115 496790983 /nfs/dbraw/zinc/79/09/83/496790983.db2.gz JUZVQIUIZZCSRZ-AWEZNQCLSA-N -1 3 369.421 3.274 20 10 FGCDHM C[C@H](Nc1cnn(CC(=O)NC2CC2)c1)c1ccc2ccccc2c1[O-] ZINC000273388013 496791033 /nfs/dbraw/zinc/79/10/33/496791033.db2.gz DAHYADXEZOSGCK-ZDUSSCGKSA-N -1 3 350.422 3.194 20 10 FGCDHM CCCNC(=O)c1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273401686 496796136 /nfs/dbraw/zinc/79/61/36/496796136.db2.gz NEVXDRCWLLJCFF-CYBMUJFWSA-N -1 3 357.410 3.291 20 10 FGCDHM COc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc(OC)c1OC ZINC000273430227 496804419 /nfs/dbraw/zinc/80/44/19/496804419.db2.gz VIONLZQSUXPATD-LLVKDONJSA-N -1 3 362.382 3.177 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 ZINC000273451713 496810180 /nfs/dbraw/zinc/81/01/80/496810180.db2.gz GECSLDRXJQAPAU-QWRGUYRKSA-N -1 3 356.378 3.071 20 10 FGCDHM C[C@H](NCc1cccc(C(=O)NC2CC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273466039 496814051 /nfs/dbraw/zinc/81/40/51/496814051.db2.gz DSNGZVKFWBGGAY-LBPRGKRZSA-N -1 3 355.394 3.043 20 10 FGCDHM COc1c([O-])c(CNCc2ccccc2OCC2CC2)ccc1[N+](=O)[O-] ZINC000278514868 497139755 /nfs/dbraw/zinc/13/97/55/497139755.db2.gz QNIWOBGOOZCFAV-UHFFFAOYSA-N -1 3 358.394 3.388 20 10 FGCDHM COCCc1nc2cc(NCc3ccc([N+](=O)[O-])c(OC)c3[O-])ccc2o1 ZINC000278520209 497141975 /nfs/dbraw/zinc/14/19/75/497141975.db2.gz RUVSGYBCJLOKMG-UHFFFAOYSA-N -1 3 373.365 3.251 20 10 FGCDHM Cc1ccc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)c([O-])c1O ZINC000192566455 497150929 /nfs/dbraw/zinc/15/09/29/497150929.db2.gz KSEVJNDPRGVEDJ-UHFFFAOYSA-N -1 3 361.825 3.183 20 10 FGCDHM COc1c([O-])c(CN[C@H](C)c2cccc(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000278573492 497155734 /nfs/dbraw/zinc/15/57/34/497155734.db2.gz DBCVXCDIDNMLLD-LLVKDONJSA-N -1 3 359.382 3.118 20 10 FGCDHM COc1c([O-])c(CNCc2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000278865902 497247647 /nfs/dbraw/zinc/24/76/47/497247647.db2.gz MJWKHGSYEACJKP-UHFFFAOYSA-N -1 3 354.309 3.200 20 10 FGCDHM O=C1OCC[C@]12CCCN2Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000190031138 497332196 /nfs/dbraw/zinc/33/21/96/497332196.db2.gz NWSKHJDZMZZEHN-OAQYLSRUSA-N -1 3 353.418 3.253 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCC[C@H](C)OC ZINC000266776281 497417621 /nfs/dbraw/zinc/41/76/21/497417621.db2.gz GDDDNYXWKOLBLA-NSHDSACASA-N -1 3 359.264 3.111 20 10 FGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O ZINC000364537794 498010269 /nfs/dbraw/zinc/01/02/69/498010269.db2.gz MPBIJORRDYCSIQ-UHFFFAOYSA-N -1 3 374.462 3.055 20 10 FGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(c2nnc3n2CCC3)CC1 ZINC000364842469 498168830 /nfs/dbraw/zinc/16/88/30/498168830.db2.gz GBOAGUANDLFWPW-UHFFFAOYSA-N -1 3 350.825 3.102 20 10 FGCDHM Cc1cc(C(=O)N=c2[nH][n-]c(-c3ccncc3)c2C)c(C)n1-c1ccccn1 ZINC000363188622 498693794 /nfs/dbraw/zinc/69/37/94/498693794.db2.gz NIGNADZJHKBBSN-UHFFFAOYSA-N -1 3 372.432 3.257 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000290942379 498730110 /nfs/dbraw/zinc/73/01/10/498730110.db2.gz OOOHVEBFGXESLB-UHFFFAOYSA-N -1 3 356.353 3.398 20 10 FGCDHM CC[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(Cl)c1[O-] ZINC000287547415 498793631 /nfs/dbraw/zinc/79/36/31/498793631.db2.gz FKBAVYJALBXJPG-NEPJUHHUSA-N -1 3 350.768 3.250 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000284239013 499073854 /nfs/dbraw/zinc/07/38/54/499073854.db2.gz DYDCQIZJZMCCNE-KUHUBIRLSA-N -1 3 372.465 3.141 20 10 FGCDHM Cc1ccc([C@H](C)NCc2nnc3n2C[C@H](C(F)(F)F)CC3)c([O-])c1 ZINC000369901967 499148429 /nfs/dbraw/zinc/14/84/29/499148429.db2.gz JDCZEOPBWOSEJS-NWDGAFQWSA-N -1 3 354.376 3.268 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(OC3CCOCC3)CC2)c1[O-] ZINC000370208675 499197646 /nfs/dbraw/zinc/19/76/46/499197646.db2.gz YWYGCJPNYSHKDN-UHFFFAOYSA-N -1 3 367.873 3.408 20 10 FGCDHM CC(=O)c1cc(F)cc(CNC2(c3noc(C(F)F)n3)CCC2)c1[O-] ZINC000368335221 499286301 /nfs/dbraw/zinc/28/63/01/499286301.db2.gz YIEWFFIWEOOAJF-UHFFFAOYSA-N -1 3 355.316 3.224 20 10 FGCDHM COc1c([O-])c(CNc2cccc(-c3noc(C)n3)c2)ccc1[N+](=O)[O-] ZINC000373209467 499457438 /nfs/dbraw/zinc/45/74/38/499457438.db2.gz WGNGBHWNOKRBDZ-UHFFFAOYSA-N -1 3 356.338 3.280 20 10 FGCDHM [O-]c1cc2c(cc1CN1CCc3c(cccc3C(F)(F)F)C1)[C@@H](O)CO2 ZINC000530105097 503838427 /nfs/dbraw/zinc/83/84/27/503838427.db2.gz FRTPJZKVAJTCNP-KRWDZBQOSA-N -1 3 365.351 3.395 20 10 FGCDHM CN(C)CCNC(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000529641298 504750365 /nfs/dbraw/zinc/75/03/65/504750365.db2.gz CSVRTWGGXORDNO-UHFFFAOYSA-N -1 3 365.836 3.088 20 10 FGCDHM Cc1cc(C(=O)N2CCCC2(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234535 598613831 /nfs/dbraw/zinc/61/38/31/598613831.db2.gz MYGNTDTVERNMDY-UHFFFAOYSA-N -1 3 364.453 3.289 20 10 FGCDHM O=C([O-])[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000739498595 600300178 /nfs/dbraw/zinc/30/01/78/600300178.db2.gz BFQCAFHINLQYOQ-INIZCTEOSA-N -1 3 362.223 3.300 20 10 FGCDHM CN(C(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812798 607440088 /nfs/dbraw/zinc/44/00/88/607440088.db2.gz USLGRGOFBMTAPB-MDZDMXLPSA-N -1 3 368.466 3.297 20 10 FGCDHM CN(C(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812798 607440089 /nfs/dbraw/zinc/44/00/89/607440089.db2.gz USLGRGOFBMTAPB-MDZDMXLPSA-N -1 3 368.466 3.297 20 10 FGCDHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCCCSc1nccs1 ZINC000826371410 607521688 /nfs/dbraw/zinc/52/16/88/607521688.db2.gz FNUFDHISOAGNEU-UHFFFAOYSA-N -1 3 354.411 3.196 20 10 FGCDHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCCCSc1nccs1 ZINC000826371410 607521690 /nfs/dbraw/zinc/52/16/90/607521690.db2.gz FNUFDHISOAGNEU-UHFFFAOYSA-N -1 3 354.411 3.196 20 10 FGCDHM CN(C)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000825879382 607988267 /nfs/dbraw/zinc/98/82/67/607988267.db2.gz MBZDHNHEZXUMHG-UHFFFAOYSA-N -1 3 373.258 3.307 20 10 FGCDHM [O-]c1ccc(Cl)cc1CN1CCN(c2ncnc3ccsc32)CC1 ZINC000093335847 700450755 /nfs/dbraw/zinc/45/07/55/700450755.db2.gz ZMCBFNLIBCGKTA-UHFFFAOYSA-N -1 3 360.870 3.373 20 10 FGCDHM [O-]c1cccc(Cl)c1CN1CCN(Cc2cn3ccccc3n2)CC1 ZINC000121898081 700682273 /nfs/dbraw/zinc/68/22/73/700682273.db2.gz DJWAHFPFGUTBGM-UHFFFAOYSA-N -1 3 356.857 3.011 20 10 FGCDHM Cc1ccc2c(c1)C(=O)N(C)[C@H](c1cc(O)cc(Br)c1[O-])N2 ZINC000153701641 705008850 /nfs/dbraw/zinc/00/88/50/705008850.db2.gz RGPSUMSEGMOWBW-OAHLLOKOSA-N -1 3 363.211 3.365 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCN(c3ccccn3)CC2)c1 ZINC000781895147 724608374 /nfs/dbraw/zinc/60/83/74/724608374.db2.gz OGCKLDGOFIXXAB-UHFFFAOYSA-N -1 3 362.271 3.180 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000781909919 724611310 /nfs/dbraw/zinc/61/13/10/724611310.db2.gz GEDGBYYAVMEQLF-AWEZNQCLSA-N -1 3 367.287 3.050 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H]2Nc3c4ccccc4sc3C(=O)N2)c1 ZINC000742441810 722557325 /nfs/dbraw/zinc/55/73/25/722557325.db2.gz JFXRXQYQGKDHCL-MRXNPFEDSA-N -1 3 354.387 3.248 20 10 FGCDHM O=C1/C(=C\c2c(F)ccc([O-])c2F)SC(=S)N1c1cccnc1 ZINC000794930967 723552280 /nfs/dbraw/zinc/55/22/80/723552280.db2.gz IEWYHYUKKLSYIW-WUXMJOGZSA-N -1 3 350.371 3.471 20 10 FGCDHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000770355466 723711819 /nfs/dbraw/zinc/71/18/19/723711819.db2.gz XFVLIABKJUAZBY-BLLLJJGKSA-N -1 3 370.877 3.160 20 10 FGCDHM COc1ccc(F)cc1[C@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774973370 723946907 /nfs/dbraw/zinc/94/69/07/723946907.db2.gz AGJQZLUWGBOCQG-JTQLQIEISA-N -1 3 350.346 3.308 20 10 FGCDHM O=[N+]([O-])c1ccc(CNCc2cccc(Br)c2[O-])c(F)c1 ZINC000775150865 723964883 /nfs/dbraw/zinc/96/48/83/723964883.db2.gz BXBXBBPIWIRXTH-UHFFFAOYSA-N -1 3 355.163 3.492 20 10 FGCDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)nc1 ZINC000775710868 724028789 /nfs/dbraw/zinc/02/87/89/724028789.db2.gz NTXOUGGOCJDIIQ-GFCCVEGCSA-N -1 3 366.780 3.174 20 10 FGCDHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]c3ccc(O)cc3F)cc21 ZINC000800839466 724235138 /nfs/dbraw/zinc/23/51/38/724235138.db2.gz HTVFCOKJPJBEFC-UHFFFAOYSA-N -1 3 355.774 3.114 20 10 FGCDHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCN(Cc2ccccc2)C1=O ZINC000816590357 727178082 /nfs/dbraw/zinc/17/80/82/727178082.db2.gz XZOPPRAHSWGYKU-KRWDZBQOSA-N -1 3 362.832 3.418 20 10 FGCDHM CCO[C@@H](C)c1noc(CN(C)Cc2ccc(Br)cc2[O-])n1 ZINC000824884058 729363609 /nfs/dbraw/zinc/36/36/09/729363609.db2.gz SVLZYYDDDNXCTJ-JTQLQIEISA-N -1 3 370.247 3.267 20 10 FGCDHM CC(C)(C)OC(=O)NCC[C@@H](NCc1cc(F)ccc1[O-])C(F)(F)F ZINC000825269277 729376325 /nfs/dbraw/zinc/37/63/25/729376325.db2.gz IFLQNTFLPHDLLO-CYBMUJFWSA-N -1 3 366.355 3.467 20 10 FGCDHM CCN(Cc1nc(C2CC2)nn1C)Cc1cc(Br)ccc1[O-] ZINC000827965143 729437906 /nfs/dbraw/zinc/43/79/06/729437906.db2.gz QGMHZWVPVXAKQC-UHFFFAOYSA-N -1 3 365.275 3.183 20 10 FGCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)c(C)c(C)c1O ZINC000840913058 730190351 /nfs/dbraw/zinc/19/03/51/730190351.db2.gz DRFHLJXAYLFICF-UHFFFAOYSA-N -1 3 361.419 3.083 20 10 FGCDHM Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1c([O-])cccc1Br ZINC000862253576 732799809 /nfs/dbraw/zinc/79/98/09/732799809.db2.gz PGIMXSFPQRFVJH-CQSZACIVSA-N -1 3 366.259 3.068 20 10 FGCDHM Cn1ccnc1[C@@H]1N(Cc2c([O-])cccc2Br)CC1(C)C ZINC000862383396 732820823 /nfs/dbraw/zinc/82/08/23/732820823.db2.gz REARLEBNUBHQHL-AWEZNQCLSA-N -1 3 350.260 3.471 20 10 FGCDHM Cn1ncc(C(=O)OC(C)(C)C)c1CNCc1cc(Cl)ccc1[O-] ZINC000877612105 736693101 /nfs/dbraw/zinc/69/31/01/736693101.db2.gz CQEYVEIIVVFCQT-UHFFFAOYSA-N -1 3 351.834 3.024 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000877693095 736706557 /nfs/dbraw/zinc/70/65/57/736706557.db2.gz ATQCSJDTYXDDBH-WDEREUQCSA-N -1 3 368.193 3.066 20 10 FGCDHM CC1CCN(C(=O)C2CCN(Cc3cc(F)cc(F)c3[O-])CC2)CC1 ZINC000893967640 742220396 /nfs/dbraw/zinc/22/03/96/742220396.db2.gz QOGMBVKETFBRLR-UHFFFAOYSA-N -1 3 352.425 3.141 20 10 FGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC2(CC1)OCCCO2 ZINC000894860457 742344146 /nfs/dbraw/zinc/34/41/46/742344146.db2.gz LZWRFNNGBZEJDG-UHFFFAOYSA-N -1 3 360.223 3.023 20 10 FGCDHM COC(=O)c1cnc([C@H]2CCCN(Cc3cc(F)cc(F)c3[O-])C2)s1 ZINC000895359320 742402283 /nfs/dbraw/zinc/40/22/83/742402283.db2.gz QVQLQICPXFUWFX-JTQLQIEISA-N -1 3 368.405 3.293 20 10 FGCDHM CC(C)[C@@H](N[C@@H](C)c1cc(Br)c(F)cc1[O-])c1nncn1C ZINC000903063047 743800858 /nfs/dbraw/zinc/80/08/58/743800858.db2.gz BQHHOFGKRIWMQX-LKFCYVNXSA-N -1 3 371.254 3.470 20 10 FGCDHM O=C(c1cc2occc2s1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000779018893 724381623 /nfs/dbraw/zinc/38/16/23/724381623.db2.gz ISDMJDKQVZVWPQ-UHFFFAOYSA-N -1 3 360.410 3.297 20 10 FGCDHM O=[N+]([O-])c1ccc([O-])c(CNC2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000089803108 494367387 /nfs/dbraw/zinc/36/73/87/494367387.db2.gz BUCVPNSQPFXLMA-UHFFFAOYSA-N -1 3 364.348 3.374 20 10 FGCDHM CCCCN(C)C(=O)C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000079400631 494447999 /nfs/dbraw/zinc/44/79/99/494447999.db2.gz BBCJSKQCDOKUQU-UHFFFAOYSA-N -1 3 364.461 3.204 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1cccnc1 ZINC000080665402 494761320 /nfs/dbraw/zinc/76/13/20/494761320.db2.gz GZEODKNIWQUHFV-UHFFFAOYSA-N -1 3 364.243 3.281 20 10 FGCDHM O=C(c1cccs1)N1CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093385798 494883243 /nfs/dbraw/zinc/88/32/43/494883243.db2.gz QRTNIUZOFZSLCJ-UHFFFAOYSA-N -1 3 350.871 3.455 20 10 FGCDHM COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])c1 ZINC000111235863 495052481 /nfs/dbraw/zinc/05/24/81/495052481.db2.gz WEIGATTYFRGCCG-HUUCEWRRSA-N -1 3 372.465 3.107 20 10 FGCDHM C[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccnc1 ZINC000134265577 495128541 /nfs/dbraw/zinc/12/85/41/495128541.db2.gz JOXKNQDQQLNASC-KBXCAEBGSA-N -1 3 373.884 3.325 20 10 FGCDHM [O-]c1ccccc1CN(Cc1nccn1CC(F)(F)F)C[C@@H]1CCCO1 ZINC000112600425 495210906 /nfs/dbraw/zinc/21/09/06/495210906.db2.gz ILOWZNYPABXQTB-HNNXBMFYSA-N -1 3 369.387 3.332 20 10 FGCDHM COc1cc(Cl)cc(CN2CCN([C@@H](C)c3nccs3)CC2)c1[O-] ZINC000185610328 495643247 /nfs/dbraw/zinc/64/32/47/495643247.db2.gz VSGIGJFDBGCBRR-LBPRGKRZSA-N -1 3 367.902 3.390 20 10 FGCDHM Cn1cnnc1[C@H]1CCCN1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183110124 495839360 /nfs/dbraw/zinc/83/93/60/495839360.db2.gz ZWMLGTHFPYUPFZ-LJQANCHMSA-N -1 3 364.449 3.437 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN[C@@H](C[S@@](C)=O)c2ccccc2)c1[O-] ZINC000183146377 495853842 /nfs/dbraw/zinc/85/38/42/495853842.db2.gz FRZIDMIDQGEBOX-BXKMTCNYSA-N -1 3 365.882 3.458 20 10 FGCDHM C[C@@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc(F)cc1[O-] ZINC000186349816 495958803 /nfs/dbraw/zinc/95/88/03/495958803.db2.gz MBWDZYMHPAZYAR-FZKQIMNGSA-N -1 3 357.429 3.154 20 10 FGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C)c(C)c1O ZINC000187059561 496274837 /nfs/dbraw/zinc/27/48/37/496274837.db2.gz GIYATTRZMRIXRH-UHFFFAOYSA-N -1 3 374.462 3.245 20 10 FGCDHM C[C@H](NCc1nnc2n1CCCCC2)c1cc(Br)ccc1[O-] ZINC000184877449 496568903 /nfs/dbraw/zinc/56/89/03/496568903.db2.gz RTPUHNFOAYUGQY-NSHDSACASA-N -1 3 365.275 3.323 20 10 FGCDHM CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000185322408 496729006 /nfs/dbraw/zinc/72/90/06/496729006.db2.gz XFDUKFWJBGIDNO-NEPJUHHUSA-N -1 3 368.886 3.366 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(NC(=O)[C@H](C)OC)c2)c1 ZINC000273480107 496818756 /nfs/dbraw/zinc/81/87/56/496818756.db2.gz LWCOPGWOTWWSAI-OLZOCXBDSA-N -1 3 372.421 3.325 20 10 FGCDHM CC[C@H](c1ccncc1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277658696 496844056 /nfs/dbraw/zinc/84/40/56/496844056.db2.gz FKMDTRVYOJHXFT-OAHLLOKOSA-N -1 3 359.813 3.356 20 10 FGCDHM COC(=O)C[C@@](C)(NCc1cc(Cl)cc(OC)c1[O-])c1ccncc1 ZINC000191904059 496926928 /nfs/dbraw/zinc/92/69/28/496926928.db2.gz YWFPCTWATJRLGQ-GOSISDBHSA-N -1 3 364.829 3.017 20 10 FGCDHM COC(=O)CN(Cc1ncc(C2CC2)o1)Cc1cc(Cl)ccc1[O-] ZINC000270526554 497145292 /nfs/dbraw/zinc/14/52/92/497145292.db2.gz NRODNBLTBNURJD-UHFFFAOYSA-N -1 3 350.802 3.086 20 10 FGCDHM Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000279791103 497542976 /nfs/dbraw/zinc/54/29/76/497542976.db2.gz ITANDSGBNOESFD-CQSZACIVSA-N -1 3 351.406 3.061 20 10 FGCDHM CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000280291786 497710209 /nfs/dbraw/zinc/71/02/09/497710209.db2.gz ZFTOWTHLXDNJHF-SECBINFHSA-N -1 3 361.435 3.376 20 10 FGCDHM C[C@@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000191189300 497737855 /nfs/dbraw/zinc/73/78/55/497737855.db2.gz ZZNXFWMJOSWQHT-KDOFPFPSSA-N -1 3 362.420 3.395 20 10 FGCDHM COCCn1ncc2c1[C@@H](N[C@H](C)c1ccc(F)c(F)c1[O-])CCC2 ZINC000364798663 498149072 /nfs/dbraw/zinc/14/90/72/498149072.db2.gz ZPWLRELSZGQCOB-ABAIWWIYSA-N -1 3 351.397 3.242 20 10 FGCDHM COc1cc(Cl)cc(CN2CCC[C@@H](N3CCCCC3=O)C2)c1[O-] ZINC000360345163 498268194 /nfs/dbraw/zinc/26/81/94/498268194.db2.gz PSAUNFGKSUZTNI-OAHLLOKOSA-N -1 3 352.862 3.031 20 10 FGCDHM COc1ccc([C@H](O)C2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cc1 ZINC000293165008 498290987 /nfs/dbraw/zinc/29/09/87/498290987.db2.gz NCDXALWPKAVVHV-IBGZPJMESA-N -1 3 371.433 3.001 20 10 FGCDHM COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccc(C)c(O)c3[O-])C2)c1 ZINC000360988154 498329698 /nfs/dbraw/zinc/32/96/98/498329698.db2.gz BYIRAQLDMNPWBY-CYBMUJFWSA-N -1 3 357.406 3.053 20 10 FGCDHM Cc1cc(Br)cc(CNCc2ncnn2C(C)(C)C)c1[O-] ZINC000282403285 498497322 /nfs/dbraw/zinc/49/73/22/498497322.db2.gz CUWIUFVYEJJYAE-UHFFFAOYSA-N -1 3 353.264 3.099 20 10 FGCDHM O=C(Nc1cccc2c1CN(c1nccs1)C2)c1cccc(O)c1[O-] ZINC000365967529 498716370 /nfs/dbraw/zinc/71/63/70/498716370.db2.gz MNRQIOBLPCCLHJ-UHFFFAOYSA-N -1 3 353.403 3.327 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](OCc3ccncc3)C2)c1[O-] ZINC000287805969 498867564 /nfs/dbraw/zinc/86/75/64/498867564.db2.gz OSYNCIUWYLYAMC-KRWDZBQOSA-N -1 3 360.841 3.434 20 10 FGCDHM C[C@@H](NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1cc(F)ccc1[O-] ZINC000369902570 499149142 /nfs/dbraw/zinc/14/91/42/499149142.db2.gz OJQJEKMEJPAYBF-NXEZZACHSA-N -1 3 358.339 3.098 20 10 FGCDHM CC[C@H](c1ccccc1[O-])N1CCOC[C@@H]1c1ncnn1-c1ccccc1 ZINC000368591270 499310984 /nfs/dbraw/zinc/31/09/84/499310984.db2.gz GMAPLJGKOVYTPX-RTBURBONSA-N -1 3 364.449 3.498 20 10 FGCDHM CC(C)(O)CN1CCc2c(cccc2NCc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000371753685 499361747 /nfs/dbraw/zinc/36/17/47/499361747.db2.gz PSMNTFLZGWOCAM-UHFFFAOYSA-N -1 3 371.437 3.042 20 10 FGCDHM CC[C@H](c1ccccc1[O-])N1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000377668958 499717529 /nfs/dbraw/zinc/71/75/29/499717529.db2.gz GIWNCNRWACICMP-SJORKVTESA-N -1 3 365.433 3.028 20 10 FGCDHM Cc1cc(C(=O)N(C)[C@H](C)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737228414 598610644 /nfs/dbraw/zinc/61/06/44/598610644.db2.gz YXRLIGFSIRUFAZ-CYBMUJFWSA-N -1 3 364.453 3.145 20 10 FGCDHM Cc1[nH]c2ccccc2c1C1=CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826233732 607727005 /nfs/dbraw/zinc/72/70/05/607727005.db2.gz TZNPLVUQFIEWCR-UHFFFAOYSA-N -1 3 357.421 3.345 20 10 FGCDHM Cc1[nH]c2ccccc2c1C1=CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826233732 607727007 /nfs/dbraw/zinc/72/70/07/607727007.db2.gz TZNPLVUQFIEWCR-UHFFFAOYSA-N -1 3 357.421 3.345 20 10 FGCDHM O=C1C(=Cc2ccccc2-c2nnn[n-]2)SC(=S)N1c1ccccc1 ZINC000826476960 607883917 /nfs/dbraw/zinc/88/39/17/607883917.db2.gz SLTIQNVACVJFHJ-UVTDQMKNSA-N -1 3 365.443 3.273 20 10 FGCDHM O=C1C(=Cc2ccccc2-c2nn[n-]n2)SC(=S)N1c1ccccc1 ZINC000826476960 607883918 /nfs/dbraw/zinc/88/39/18/607883918.db2.gz SLTIQNVACVJFHJ-UVTDQMKNSA-N -1 3 365.443 3.273 20 10 FGCDHM CCOc1cccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1O ZINC000825649494 609491762 /nfs/dbraw/zinc/49/17/62/609491762.db2.gz QRRDNWLGLJRQRF-UHFFFAOYSA-N -1 3 369.425 3.370 20 10 FGCDHM CCOc1cccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1O ZINC000825649494 609491764 /nfs/dbraw/zinc/49/17/64/609491764.db2.gz QRRDNWLGLJRQRF-UHFFFAOYSA-N -1 3 369.425 3.370 20 10 FGCDHM CC(C)CC[C@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092602726 700438133 /nfs/dbraw/zinc/43/81/33/700438133.db2.gz DVOSLXAOJGHWFG-OAHLLOKOSA-N -1 3 368.499 3.195 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000123720271 700709202 /nfs/dbraw/zinc/70/92/02/700709202.db2.gz VLMGEUBWVSAOPO-PWSUYJOCSA-N -1 3 354.166 3.042 20 10 FGCDHM Cc1ccc(CN(CCO)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000783602577 724770754 /nfs/dbraw/zinc/77/07/54/724770754.db2.gz HJUFLXVDFLPTES-UHFFFAOYSA-N -1 3 350.802 3.257 20 10 FGCDHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1F ZINC000731356882 722474690 /nfs/dbraw/zinc/47/46/90/722474690.db2.gz YFCFPCLEWSUENT-UHFFFAOYSA-N -1 3 372.412 3.429 20 10 FGCDHM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(C(=O)OC)ccc1[O-] ZINC000731496619 722475909 /nfs/dbraw/zinc/47/59/09/722475909.db2.gz IQORMZIMNJDRHD-MRXNPFEDSA-N -1 3 360.797 3.419 20 10 FGCDHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccccc2O)s1 ZINC000751151710 722796444 /nfs/dbraw/zinc/79/64/44/722796444.db2.gz VKLQRKSDAINWSY-UHFFFAOYSA-N -1 3 362.270 3.003 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCC(OC[C@H]2CCOC2)CC1 ZINC000753567783 722904669 /nfs/dbraw/zinc/90/46/69/722904669.db2.gz ASLQOMCSJBVVIR-ZDUSSCGKSA-N -1 3 370.287 3.172 20 10 FGCDHM C[C@H](NCc1ccnc(N(C)C)n1)c1cc(Br)c(F)cc1[O-] ZINC000756789367 722970109 /nfs/dbraw/zinc/97/01/09/722970109.db2.gz HFCBIKYJCLKTEV-VIFPVBQESA-N -1 3 369.238 3.001 20 10 FGCDHM C[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCS(=O)(=O)C1 ZINC000762160120 723220689 /nfs/dbraw/zinc/22/06/89/723220689.db2.gz DWASCUXFMKASNQ-CYBMUJFWSA-N -1 3 359.447 3.158 20 10 FGCDHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)cc1F ZINC000762620712 723263305 /nfs/dbraw/zinc/26/33/05/723263305.db2.gz YNOQKYCGITXXNC-UHFFFAOYSA-N -1 3 366.433 3.352 20 10 FGCDHM CCS(=O)(=O)c1ccc(CNCc2cc(Cl)cc(F)c2[O-])s1 ZINC000793203985 723410397 /nfs/dbraw/zinc/41/03/97/723410397.db2.gz KEWFUMISAIHCEE-UHFFFAOYSA-N -1 3 363.863 3.330 20 10 FGCDHM COC(=O)CN(Cc1coc(C2CC2)n1)Cc1cc(Cl)ccc1[O-] ZINC000769381930 723683772 /nfs/dbraw/zinc/68/37/72/723683772.db2.gz SDWNPJALEPUCHB-UHFFFAOYSA-N -1 3 350.802 3.086 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000769900584 723699809 /nfs/dbraw/zinc/69/98/09/723699809.db2.gz QFZQACVQBGTVDO-BMIGLBTASA-N -1 3 365.779 3.383 20 10 FGCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c(C)c(C)c1O ZINC000775291547 723977174 /nfs/dbraw/zinc/97/71/74/723977174.db2.gz MVKIUOWOTDGBHB-UHFFFAOYSA-N -1 3 363.435 3.280 20 10 FGCDHM O=[N+]([O-])c1cnc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000799937145 724115547 /nfs/dbraw/zinc/11/55/47/724115547.db2.gz KBPAMKHLLDKPKQ-GFCCVEGCSA-N -1 3 368.846 3.487 20 10 FGCDHM O=C(Nc1ccccc1)C1(NCc2cccc(Br)c2[O-])CC1 ZINC000778219105 724312414 /nfs/dbraw/zinc/31/24/14/724312414.db2.gz YWRTWTRLBCMZSP-UHFFFAOYSA-N -1 3 361.239 3.416 20 10 FGCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1cnc(C2OCCO2)s1 ZINC000809775829 725267887 /nfs/dbraw/zinc/26/78/87/725267887.db2.gz KKTQDTILXDNOAC-UHFFFAOYSA-N -1 3 361.250 3.491 20 10 FGCDHM Cn1ccnc1[C@@H]1N(Cc2cc(Br)ccc2[O-])CC1(C)C ZINC000824620395 729351337 /nfs/dbraw/zinc/35/13/37/729351337.db2.gz MYZJFRBHJLOHHY-AWEZNQCLSA-N -1 3 350.260 3.471 20 10 FGCDHM C[C@H](NCc1ccc(Br)cc1[O-])c1nnc2n1CCCCC2 ZINC000825097606 729370695 /nfs/dbraw/zinc/37/06/95/729370695.db2.gz WRNOCHNFUYCXJZ-NSHDSACASA-N -1 3 365.275 3.323 20 10 FGCDHM C[C@@H](NCc1ccc(Br)cc1[O-])c1nnc2n1CCCCC2 ZINC000825097605 729370762 /nfs/dbraw/zinc/37/07/62/729370762.db2.gz WRNOCHNFUYCXJZ-LLVKDONJSA-N -1 3 365.275 3.323 20 10 FGCDHM Cc1cccc(C)c1NC(=S)NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826296882 729406976 /nfs/dbraw/zinc/40/69/76/729406976.db2.gz NGGKAYFUTBBOSL-UHFFFAOYSA-N -1 3 373.873 3.450 20 10 FGCDHM Cc1cccc(C)c1NC(=S)NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826296882 729406977 /nfs/dbraw/zinc/40/69/77/729406977.db2.gz NGGKAYFUTBBOSL-UHFFFAOYSA-N -1 3 373.873 3.450 20 10 FGCDHM O=C(CSC(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000827095525 729424075 /nfs/dbraw/zinc/42/40/75/729424075.db2.gz IMRLWWHTXKXBDY-LBPRGKRZSA-N -1 3 364.845 3.082 20 10 FGCDHM COc1ccc(N2CC[C@H](NC(=O)c3cc(SC)ccc3[O-])C2)cc1 ZINC000855224291 731908775 /nfs/dbraw/zinc/90/87/75/731908775.db2.gz FAPSTTMQSNMNAI-ZDUSSCGKSA-N -1 3 358.463 3.131 20 10 FGCDHM COC(=O)C1C[C@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@@H](C)C1 ZINC000860189718 732466490 /nfs/dbraw/zinc/46/64/90/732466490.db2.gz WHJUFSZMFRICQL-QWRGUYRKSA-N -1 3 353.846 3.410 20 10 FGCDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000862233006 732791592 /nfs/dbraw/zinc/79/15/92/732791592.db2.gz OZOUQBXNURTXET-NSHDSACASA-N -1 3 371.275 3.254 20 10 FGCDHM C[C@@H](N1CCN(Cc2c([O-])cccc2Br)CC1)C(F)(F)F ZINC000862252736 732799104 /nfs/dbraw/zinc/79/91/04/732799104.db2.gz WVBWDZUJIYDEQW-SNVBAGLBSA-N -1 3 367.209 3.223 20 10 FGCDHM N=C1Nc2nc3ccccc3n2[C@@H](c2ccc(Br)cc2[O-])N1 ZINC000877843331 736734989 /nfs/dbraw/zinc/73/49/89/736734989.db2.gz PLPZIBXFGJOYEQ-ZDUSSCGKSA-N -1 3 358.199 3.001 20 10 FGCDHM CCc1nc([C@H](C)NCc2cc(Cl)cc(Br)c2[O-])n[nH]1 ZINC000883078407 737519088 /nfs/dbraw/zinc/51/90/88/737519088.db2.gz QDZIGVIDFVMZDM-ZETCQYMHSA-N -1 3 359.655 3.339 20 10 FGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(c2cn[nH]c2)CC1 ZINC000893974383 742221524 /nfs/dbraw/zinc/22/15/24/742221524.db2.gz SFVMBNVLCQIMDE-UHFFFAOYSA-N -1 3 354.223 3.397 20 10 FGCDHM [O-]c1ccc(F)cc1CNC1(c2ncc(Br)cn2)CCC1 ZINC000897352014 742671311 /nfs/dbraw/zinc/67/13/11/742671311.db2.gz UUZVNLCMNMOGSM-UHFFFAOYSA-N -1 3 352.207 3.253 20 10 FGCDHM CC(C)[C@H](N[C@H](C)c1cc(Br)cc(F)c1[O-])c1nncn1C ZINC000903063923 743800920 /nfs/dbraw/zinc/80/09/20/743800920.db2.gz JELIZOZOPHVUKO-RNCFNFMXSA-N -1 3 371.254 3.470 20 10 FGCDHM CN(Cc1ccccc1O)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906990861 744177439 /nfs/dbraw/zinc/17/74/39/744177439.db2.gz HCWMKLRJNSADKF-UHFFFAOYSA-N -1 3 363.439 3.468 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2nnc3n2CCCCC3)c1[O-] ZINC000079398296 494446901 /nfs/dbraw/zinc/44/69/01/494446901.db2.gz YNMRMQDCZUSSBC-QGZVFWFLSA-N -1 3 372.444 3.389 20 10 FGCDHM COc1cc(Br)cc(CN2CCC(n3cccn3)CC2)c1[O-] ZINC000092617695 494687888 /nfs/dbraw/zinc/68/78/88/494687888.db2.gz WZJHYGOWNCEOBW-UHFFFAOYSA-N -1 3 366.259 3.197 20 10 FGCDHM Cc1noc([C@H]2CCCN(Cc3cc(Br)ccc3[O-])C2)n1 ZINC000091832133 494697695 /nfs/dbraw/zinc/69/76/95/494697695.db2.gz SPHDCDCBOIZTIU-NSHDSACASA-N -1 3 352.232 3.226 20 10 FGCDHM COc1cccc([C@@H]2CCCN2C(=O)CN(C)Cc2ccccc2[O-])c1 ZINC000109772011 494916763 /nfs/dbraw/zinc/91/67/63/494916763.db2.gz NXJVZASXAAULNA-IBGZPJMESA-N -1 3 354.450 3.196 20 10 FGCDHM C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(C)Cc1ccccc1[O-] ZINC000111235873 495052367 /nfs/dbraw/zinc/05/23/67/495052367.db2.gz LKJZSZXZHLPZPT-INIZCTEOSA-N -1 3 353.466 3.451 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1cc(C)no1 ZINC000174452292 495964407 /nfs/dbraw/zinc/96/44/07/495964407.db2.gz FXGNEXLCTKDEMJ-UHFFFAOYSA-N -1 3 368.231 3.183 20 10 FGCDHM COc1ccc(N[C@@H](C)c2cc(F)ccc2O)cc1[N-]S(C)(=O)=O ZINC000186405285 495984399 /nfs/dbraw/zinc/98/43/99/495984399.db2.gz MJKHXLAXBZMKKS-JTQLQIEISA-N -1 3 354.403 3.085 20 10 FGCDHM COc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1[N-]S(C)(=O)=O ZINC000186405061 495984947 /nfs/dbraw/zinc/98/49/47/495984947.db2.gz PQDAPBZNXYEBIA-JTQLQIEISA-N -1 3 354.403 3.085 20 10 FGCDHM C[C@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1ccc(F)cc1[O-] ZINC000186656951 496093995 /nfs/dbraw/zinc/09/39/95/496093995.db2.gz YCOIKEMHVLIVJF-NSHDSACASA-N -1 3 350.415 3.027 20 10 FGCDHM COc1cc(Cl)cc(CN2CCN(C(=O)c3cccs3)CC2)c1[O-] ZINC000184674969 496489320 /nfs/dbraw/zinc/48/93/20/496489320.db2.gz JADIFIXRHQYYNS-UHFFFAOYSA-N -1 3 366.870 3.074 20 10 FGCDHM CC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccccc1O ZINC000157610179 496514770 /nfs/dbraw/zinc/51/47/70/496514770.db2.gz VXYUOIKSNCQBCP-CQSZACIVSA-N -1 3 350.440 3.336 20 10 FGCDHM C[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273302360 496768325 /nfs/dbraw/zinc/76/83/25/496768325.db2.gz BSRXVCNTPAZQEA-RDTXWAMCSA-N -1 3 369.421 3.315 20 10 FGCDHM C[C@H](NCc1cccnc1OCC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273398517 496794467 /nfs/dbraw/zinc/79/44/67/496794467.db2.gz MQOUYGCLIKIAGH-JTQLQIEISA-N -1 3 371.315 3.487 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(OC)c(NC(C)=O)c2)c1 ZINC000273489228 496820924 /nfs/dbraw/zinc/82/09/24/496820924.db2.gz NUUPLRWLNHRDPY-LLVKDONJSA-N -1 3 358.394 3.319 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc3c(cc2OC)CCC(=O)N3)c1 ZINC000274374025 497082255 /nfs/dbraw/zinc/08/22/55/497082255.db2.gz LMALZSKFPIQYHK-NSHDSACASA-N -1 3 370.405 3.245 20 10 FGCDHM COc1c([O-])c(CNCc2nc(C(F)(F)F)cs2)ccc1[N+](=O)[O-] ZINC000278483326 497130545 /nfs/dbraw/zinc/13/05/45/497130545.db2.gz JUFVWYKYYMBFIG-UHFFFAOYSA-N -1 3 363.317 3.074 20 10 FGCDHM COc1c([O-])c(CNc2cccc(C(=O)NC(C)(C)C)c2)ccc1[N+](=O)[O-] ZINC000278559984 497153892 /nfs/dbraw/zinc/15/38/92/497153892.db2.gz BDEOUZWWMPZSOZ-UHFFFAOYSA-N -1 3 373.409 3.449 20 10 FGCDHM COc1c([O-])c(CNc2ccc(O[C@H]3CCOC3)cc2)ccc1[N+](=O)[O-] ZINC000278637163 497175993 /nfs/dbraw/zinc/17/59/93/497175993.db2.gz HLJRXVHBTSSQOM-HNNXBMFYSA-N -1 3 360.366 3.089 20 10 FGCDHM COC(=O)[C@H](NCc1cc(Cl)cc(OC)c1[O-])c1ccc(OC)cc1 ZINC000275167105 497247843 /nfs/dbraw/zinc/24/78/43/497247843.db2.gz WAMYQDATRZCZOS-MRXNPFEDSA-N -1 3 365.813 3.067 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1ncoc1C ZINC000271852367 497469610 /nfs/dbraw/zinc/46/96/10/497469610.db2.gz XUSMZOMCZNSBBT-UHFFFAOYSA-N -1 3 368.231 3.183 20 10 FGCDHM Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)c([O-])c1O ZINC000272731172 497714648 /nfs/dbraw/zinc/71/46/48/497714648.db2.gz KAWSKGYSQVXVQC-CQSZACIVSA-N -1 3 351.406 3.061 20 10 FGCDHM C[C@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(F)c(F)c1[O-] ZINC000191205340 497743748 /nfs/dbraw/zinc/74/37/48/497743748.db2.gz VYANVGXCCSWPJZ-OLZOCXBDSA-N -1 3 363.408 3.141 20 10 FGCDHM C[C@H]1CN(c2ccc(CNCc3cc(Cl)c(F)cc3[O-])cn2)CCO1 ZINC000294127596 498597371 /nfs/dbraw/zinc/59/73/71/498597371.db2.gz GUYRJCPLCKWHEV-LBPRGKRZSA-N -1 3 365.836 3.095 20 10 FGCDHM CCCCN(Cc1cn(Cc2cccnc2)nn1)Cc1ccccc1[O-] ZINC000283115770 498785324 /nfs/dbraw/zinc/78/53/24/498785324.db2.gz UXFNSQMFZAFHON-UHFFFAOYSA-N -1 3 351.454 3.229 20 10 FGCDHM CCS(=O)(=O)c1ccc(CNCc2cc(Cl)c(F)cc2[O-])s1 ZINC000294729385 498785878 /nfs/dbraw/zinc/78/58/78/498785878.db2.gz PXJZPCKZQWUACV-UHFFFAOYSA-N -1 3 363.863 3.330 20 10 FGCDHM CC(=O)NCc1ccc([C@H]2CCCN2Cc2cc(F)cc(C(C)=O)c2[O-])o1 ZINC000364079118 499109977 /nfs/dbraw/zinc/10/99/77/499109977.db2.gz JWRWGGVVWCSCHK-GOSISDBHSA-N -1 3 374.412 3.300 20 10 FGCDHM Cc1cc(Cl)cc(CN2CCCN(C(=O)c3ccccn3)CC2)c1[O-] ZINC000371425096 499325182 /nfs/dbraw/zinc/32/51/82/499325182.db2.gz QXKUBTJRECLZDB-UHFFFAOYSA-N -1 3 359.857 3.097 20 10 FGCDHM COc1cc(Cl)cc(CN(C)[C@H]2CS(=O)(=O)c3ccccc32)c1[O-] ZINC000371851248 499371505 /nfs/dbraw/zinc/37/15/05/499371505.db2.gz DJSFVNFFTNCHJU-AWEZNQCLSA-N -1 3 367.854 3.015 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(CN3CCCC3=O)CC2)c1[O-] ZINC000371867083 499373342 /nfs/dbraw/zinc/37/33/42/499373342.db2.gz WJVSWPJIBUVTSZ-UHFFFAOYSA-N -1 3 364.873 3.083 20 10 FGCDHM CC[C@H](NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(F)cc1[O-] ZINC000375836503 499560639 /nfs/dbraw/zinc/56/06/39/499560639.db2.gz CSAAAAYOPFXIFX-GWCFXTLKSA-N -1 3 372.366 3.488 20 10 FGCDHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000820147847 598191937 /nfs/dbraw/zinc/19/19/37/598191937.db2.gz IOCMIALZJHTTAP-AWEZNQCLSA-N -1 3 358.413 3.211 20 10 FGCDHM Cc1cc(C(=O)NC(C)(C)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232835 598612076 /nfs/dbraw/zinc/61/20/76/598612076.db2.gz DIVYIVBFUUCPQH-UHFFFAOYSA-N -1 3 366.469 3.439 20 10 FGCDHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(N2CCOCC2)cc1 ZINC000820455081 599495031 /nfs/dbraw/zinc/49/50/31/599495031.db2.gz CCRMPLQWEGDBMY-CYBMUJFWSA-N -1 3 368.416 3.016 20 10 FGCDHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(N2CCOCC2)cc1 ZINC000820455081 599495032 /nfs/dbraw/zinc/49/50/32/599495032.db2.gz CCRMPLQWEGDBMY-CYBMUJFWSA-N -1 3 368.416 3.016 20 10 FGCDHM c1csc(SCCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)n1 ZINC000826523033 607520133 /nfs/dbraw/zinc/52/01/33/607520133.db2.gz YCIQAYSSYNKBQZ-UHFFFAOYSA-N -1 3 369.479 3.466 20 10 FGCDHM c1csc(SCCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)n1 ZINC000826523033 607520135 /nfs/dbraw/zinc/52/01/35/607520135.db2.gz YCIQAYSSYNKBQZ-UHFFFAOYSA-N -1 3 369.479 3.466 20 10 FGCDHM CCN(C(=O)C=Cc1cnccc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367211 609509654 /nfs/dbraw/zinc/50/96/54/609509654.db2.gz LBACICWRCPFJLE-QPJJXVBHSA-N -1 3 368.828 3.290 20 10 FGCDHM CCN(C(=O)C=Cc1cnccc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367211 609509656 /nfs/dbraw/zinc/50/96/56/609509656.db2.gz LBACICWRCPFJLE-QPJJXVBHSA-N -1 3 368.828 3.290 20 10 FGCDHM CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCc2c1cnn2C ZINC000093863899 700455504 /nfs/dbraw/zinc/45/55/04/700455504.db2.gz FHWBWJRYUCGPRV-CYBMUJFWSA-N -1 3 350.806 3.197 20 10 FGCDHM COC(=O)CN(Cc1ccc2c[nH]nc2c1)Cc1cc(Cl)ccc1[O-] ZINC000123215511 700701724 /nfs/dbraw/zinc/70/17/24/700701724.db2.gz GSXXFIRAPBRROR-UHFFFAOYSA-N -1 3 359.813 3.097 20 10 FGCDHM Cc1csc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)n1 ZINC000133806313 700841702 /nfs/dbraw/zinc/84/17/02/700841702.db2.gz ZTDSLYIJCCGZNB-UHFFFAOYSA-N -1 3 368.300 3.242 20 10 FGCDHM COc1cccc(C(=O)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)c1 ZINC000159206331 705215064 /nfs/dbraw/zinc/21/50/64/705215064.db2.gz GLUFMDIFFZTLJG-UHFFFAOYSA-N -1 3 360.841 3.012 20 10 FGCDHM COC(=O)CN(CCc1scnc1C)Cc1cc(Cl)ccc1[O-] ZINC000172537065 705422217 /nfs/dbraw/zinc/42/22/17/705422217.db2.gz QPZZWCUAYCBWJO-UHFFFAOYSA-N -1 3 354.859 3.028 20 10 FGCDHM O=S(=O)(CCCOCc1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000304393212 713790986 /nfs/dbraw/zinc/79/09/86/713790986.db2.gz UJHIJEUMHPMRKO-UHFFFAOYSA-N -1 3 355.843 3.394 20 10 FGCDHM COc1c([O-])c(CNCc2ccsc2Br)ccc1[N+](=O)[O-] ZINC000802653563 724398090 /nfs/dbraw/zinc/39/80/90/724398090.db2.gz YIDCTGLCWIURIU-UHFFFAOYSA-N -1 3 373.228 3.423 20 10 FGCDHM COC(=O)CSCc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000780929294 724516192 /nfs/dbraw/zinc/51/61/92/724516192.db2.gz NQBRFZLKSZEUJL-UHFFFAOYSA-N -1 3 361.419 3.065 20 10 FGCDHM C[C@H]1CN(Cc2c([O-])cccc2Br)C[C@@](C)(C(F)F)O1 ZINC000707167323 722412246 /nfs/dbraw/zinc/41/22/46/722412246.db2.gz XPQXPVCTXRCYIU-XPTSAGLGSA-N -1 3 350.203 3.399 20 10 FGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cc(F)ccc1OC ZINC000731845188 722478567 /nfs/dbraw/zinc/47/85/67/722478567.db2.gz RFGKRNRPSKEBKW-UHFFFAOYSA-N -1 3 367.804 3.369 20 10 FGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000790346730 723129642 /nfs/dbraw/zinc/12/96/42/723129642.db2.gz SBWAVSJKTXKYAZ-UHFFFAOYSA-N -1 3 361.341 3.496 20 10 FGCDHM COc1ccc(Cl)cc1-c1cc(NC(=O)c2cccc(O)c2[O-])n[nH]1 ZINC000790621434 723160191 /nfs/dbraw/zinc/16/01/91/723160191.db2.gz XJPLKXGYDXOROA-UHFFFAOYSA-N -1 3 359.769 3.402 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CNCc2ccnc(OC(F)F)c2)c1[O-] ZINC000790634363 723161409 /nfs/dbraw/zinc/16/14/09/723161409.db2.gz GFWLKMRSRGRVIG-UHFFFAOYSA-N -1 3 359.716 3.240 20 10 FGCDHM O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1cccc(O)c1[O-] ZINC000790669780 723166194 /nfs/dbraw/zinc/16/61/94/723166194.db2.gz VGSVCFFNMGJIQA-UHFFFAOYSA-N -1 3 361.760 3.387 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2cccnc2-n2cncn2)c1 ZINC000765950272 723548264 /nfs/dbraw/zinc/54/82/64/723548264.db2.gz QUSXMUUQSXZEDW-UHFFFAOYSA-N -1 3 360.215 3.051 20 10 FGCDHM CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H]1COc2ccccc2O1 ZINC000768180528 723649560 /nfs/dbraw/zinc/64/95/60/723649560.db2.gz KVBNBMDHGCEABE-ZDUSSCGKSA-N -1 3 364.785 3.226 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CNC2(c3ccc4c(c3)OCO4)CC2)c1[O-] ZINC000769933170 723701311 /nfs/dbraw/zinc/70/13/11/723701311.db2.gz CDQGQNMZRHOXGA-UHFFFAOYSA-N -1 3 362.769 3.461 20 10 FGCDHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000770355467 723711743 /nfs/dbraw/zinc/71/17/43/723711743.db2.gz XFVLIABKJUAZBY-LRDDRELGSA-N -1 3 370.877 3.160 20 10 FGCDHM COCCOc1c(Cl)cccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000770480697 723714934 /nfs/dbraw/zinc/71/49/34/723714934.db2.gz GGDIVCSYIJFUAJ-UHFFFAOYSA-N -1 3 351.786 3.337 20 10 FGCDHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccc(N(C)C)cc1 ZINC000773087785 723776524 /nfs/dbraw/zinc/77/65/24/723776524.db2.gz KQPDXLNDDFOMFX-SNVBAGLBSA-N -1 3 374.293 3.494 20 10 FGCDHM COc1cc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)ccc1O ZINC000797819959 723866229 /nfs/dbraw/zinc/86/62/29/723866229.db2.gz YXURBZKHFFROGH-VIFPVBQESA-N -1 3 369.826 3.178 20 10 FGCDHM COc1c([O-])c(CN(C)Cc2ccc(Br)o2)ccc1[N+](=O)[O-] ZINC000774836068 723934402 /nfs/dbraw/zinc/93/44/02/723934402.db2.gz OZSBKPJDMHCZCD-UHFFFAOYSA-N -1 3 371.187 3.297 20 10 FGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)ccc1O ZINC000776748010 724178713 /nfs/dbraw/zinc/17/87/13/724178713.db2.gz QZHDQDLLTAMDJP-UHFFFAOYSA-N -1 3 361.341 3.443 20 10 FGCDHM CC1(C)CC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC(C)(C)C1 ZINC000777495327 724232351 /nfs/dbraw/zinc/23/23/51/724232351.db2.gz CZRCZDBAAICFEF-UHFFFAOYSA-N -1 3 368.499 3.098 20 10 FGCDHM COCCN(Cc1scnc1C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000785995803 724953746 /nfs/dbraw/zinc/95/37/46/724953746.db2.gz DFUNCADWKHMGMA-UHFFFAOYSA-N -1 3 352.431 3.147 20 10 FGCDHM COCCCO[N-]C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000805040319 725045839 /nfs/dbraw/zinc/04/58/39/725045839.db2.gz IOUKIQVNKSOUHC-UHFFFAOYSA-N -1 3 350.846 3.374 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCOc2cc(O)ccc2C1 ZINC000809705635 725260758 /nfs/dbraw/zinc/26/07/58/725260758.db2.gz YJMJRBIEOIDPNN-UHFFFAOYSA-N -1 3 350.212 3.255 20 10 FGCDHM CN(CCn1cc(Br)cn1)Cc1c([O-])ccc(Cl)c1F ZINC000809792708 725269237 /nfs/dbraw/zinc/26/92/37/725269237.db2.gz DYPTVWPWBFFEDT-UHFFFAOYSA-N -1 3 362.630 3.276 20 10 FGCDHM COC(=O)[C@H](CC(C)C)N(C)Cc1cc(C)cc(Br)c1[O-] ZINC000814177758 726945184 /nfs/dbraw/zinc/94/51/84/726945184.db2.gz ODUIRGDAVATBEC-AWEZNQCLSA-N -1 3 358.276 3.483 20 10 FGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(c2nnc3n2CCC3)CC1 ZINC000816492147 727167731 /nfs/dbraw/zinc/16/77/31/727167731.db2.gz JMDQIKVJKGKVOD-UHFFFAOYSA-N -1 3 350.825 3.102 20 10 FGCDHM COc1ccc(OC)c(CN(CCO)Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816509443 727169637 /nfs/dbraw/zinc/16/96/37/727169637.db2.gz PYAXNLUEVWCFOY-UHFFFAOYSA-N -1 3 369.820 3.196 20 10 FGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000816574061 727177248 /nfs/dbraw/zinc/17/72/48/727177248.db2.gz VJVLDMJCDOORPY-UHFFFAOYSA-N -1 3 364.852 3.492 20 10 FGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCCN(c2ncccc2F)CC1 ZINC000816586850 727177961 /nfs/dbraw/zinc/17/79/61/727177961.db2.gz VUPLNCJMPFAINY-UHFFFAOYSA-N -1 3 353.800 3.431 20 10 FGCDHM CCc1ccc(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000825717441 729392636 /nfs/dbraw/zinc/39/26/36/729392636.db2.gz LFQIBRFJMLQMMC-UHFFFAOYSA-N -1 3 373.873 3.396 20 10 FGCDHM CCc1ccc(NC(=S)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000825717441 729392638 /nfs/dbraw/zinc/39/26/38/729392638.db2.gz LFQIBRFJMLQMMC-UHFFFAOYSA-N -1 3 373.873 3.396 20 10 FGCDHM CCc1ccccc1NC(=S)NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825723292 729392966 /nfs/dbraw/zinc/39/29/66/729392966.db2.gz WRDCJVAQAYXUII-UHFFFAOYSA-N -1 3 373.873 3.396 20 10 FGCDHM CCc1ccccc1NC(=S)NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825723292 729392969 /nfs/dbraw/zinc/39/29/69/729392969.db2.gz WRDCJVAQAYXUII-UHFFFAOYSA-N -1 3 373.873 3.396 20 10 FGCDHM COc1cccc(OC)c1CNCc1cccc(Br)c1[O-] ZINC000850356516 731347592 /nfs/dbraw/zinc/34/75/92/731347592.db2.gz WQRDGPANQMMLOQ-UHFFFAOYSA-N -1 3 352.228 3.462 20 10 FGCDHM CCN(Cc1onc(C)c1[N+](=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000851791962 731498690 /nfs/dbraw/zinc/49/86/90/731498690.db2.gz GAKHPCZNLLHVCP-UHFFFAOYSA-N -1 3 370.203 3.381 20 10 FGCDHM Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1c([O-])cccc1Br ZINC000862253574 732800035 /nfs/dbraw/zinc/80/00/35/732800035.db2.gz PGIMXSFPQRFVJH-AWEZNQCLSA-N -1 3 366.259 3.068 20 10 FGCDHM COCCN(Cc1ccccn1)Cc1c([O-])cccc1Br ZINC000862366970 732817416 /nfs/dbraw/zinc/81/74/16/732817416.db2.gz QOJGZZKZISTRLC-UHFFFAOYSA-N -1 3 351.244 3.198 20 10 FGCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000865654213 733247030 /nfs/dbraw/zinc/24/70/30/733247030.db2.gz LVCPLPHQRMMRBU-AWEZNQCLSA-N -1 3 356.300 3.142 20 10 FGCDHM CC(=O)N1CCN(c2ccc(NCc3c([O-])cccc3Cl)cc2)CC1 ZINC000865864487 733283131 /nfs/dbraw/zinc/28/31/31/733283131.db2.gz MFTPNDOEHAIBNH-UHFFFAOYSA-N -1 3 359.857 3.326 20 10 FGCDHM Cc1ccc([C@@H](NCc2ccc(F)c(F)c2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000877496440 736672357 /nfs/dbraw/zinc/67/23/57/736672357.db2.gz RUDCWPDFDKEJFP-PXAZEXFGSA-N -1 3 369.433 3.243 20 10 FGCDHM Cc1ccc([C@H](NCc2ccc(F)c(F)c2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000877496442 736672397 /nfs/dbraw/zinc/67/23/97/736672397.db2.gz RUDCWPDFDKEJFP-SJKOYZFVSA-N -1 3 369.433 3.243 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CC[C@H](OCc2ccccn2)C1 ZINC000877645431 736699366 /nfs/dbraw/zinc/69/93/66/736699366.db2.gz KWPIRIVQZCNVCK-HNNXBMFYSA-N -1 3 363.255 3.341 20 10 FGCDHM CC(C)NS(=O)(=O)c1cccc(CN[C@H](C)c2c([O-])cccc2F)c1 ZINC000886509885 739263600 /nfs/dbraw/zinc/26/36/00/739263600.db2.gz IBAOMDHWWSFLJH-CYBMUJFWSA-N -1 3 366.458 3.069 20 10 FGCDHM CCc1onc(C)c1CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000929975926 760504498 /nfs/dbraw/zinc/50/44/98/760504498.db2.gz KKRKSWISZBDISI-UHFFFAOYSA-N -1 3 352.818 3.080 20 10 FGCDHM Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2ccc(C)c(O)c2[O-])o1 ZINC000182480078 495579422 /nfs/dbraw/zinc/57/94/22/495579422.db2.gz BIADVKLVIIPUOY-MRXNPFEDSA-N -1 3 365.389 3.037 20 10 FGCDHM CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000179526963 495628805 /nfs/dbraw/zinc/62/88/05/495628805.db2.gz AEXOAHNGQBLANU-UHFFFAOYSA-N -1 3 369.465 3.180 20 10 FGCDHM CCc1nn(C)c(OC)c1CN[C@H](C)c1ccc(Br)cc1[O-] ZINC000185867056 495756875 /nfs/dbraw/zinc/75/68/75/495756875.db2.gz AWCTZMOSDPDMNM-SNVBAGLBSA-N -1 3 368.275 3.310 20 10 FGCDHM COc1cc(OC)cc([C@@H](NCc2cc(F)ccc2[O-])c2nccn2C)c1 ZINC000180913275 496197362 /nfs/dbraw/zinc/19/73/62/496197362.db2.gz OOCYKKOYMWMAMI-LJQANCHMSA-N -1 3 371.412 3.161 20 10 FGCDHM Cc1cc(Br)cc([C@@H](C)NCc2nnc3n2CCCC3)c1[O-] ZINC000187546541 496485459 /nfs/dbraw/zinc/48/54/59/496485459.db2.gz JHNMXYZOXOBKTI-LLVKDONJSA-N -1 3 365.275 3.242 20 10 FGCDHM CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000185322443 496728890 /nfs/dbraw/zinc/72/88/90/496728890.db2.gz XFDUKFWJBGIDNO-VXGBXAGGSA-N -1 3 368.886 3.366 20 10 FGCDHM COc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1OC ZINC000273426695 496803156 /nfs/dbraw/zinc/80/31/56/496803156.db2.gz ULFMURKYRPNLHD-NSHDSACASA-N -1 3 362.382 3.177 20 10 FGCDHM C[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2[O-])CC[S@@]1=O ZINC000277699382 496858040 /nfs/dbraw/zinc/85/80/40/496858040.db2.gz RFJCIDVJCHXSDW-CPJLOUKISA-N -1 3 359.491 3.314 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2c2nc(C)cs2)c1[O-] ZINC000189303833 497074846 /nfs/dbraw/zinc/07/48/46/497074846.db2.gz NBZARMISSKLHKV-OAHLLOKOSA-N -1 3 350.415 3.072 20 10 FGCDHM COc1c([O-])c(CN2CCC(c3ncc(C)s3)CC2)ccc1[N+](=O)[O-] ZINC000278437558 497114383 /nfs/dbraw/zinc/11/43/83/497114383.db2.gz VERCCDFLAODJKO-UHFFFAOYSA-N -1 3 363.439 3.454 20 10 FGCDHM CCS(=O)(=O)C1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000278721439 497201097 /nfs/dbraw/zinc/20/10/97/497201097.db2.gz PSKGLRSXTSEUEB-UHFFFAOYSA-N -1 3 359.491 3.458 20 10 FGCDHM COc1c([O-])c(CNCc2nc(C(C)(C)C)cs2)ccc1[N+](=O)[O-] ZINC000278921062 497268312 /nfs/dbraw/zinc/26/83/12/497268312.db2.gz UTRCDVJJAUKALA-UHFFFAOYSA-N -1 3 351.428 3.353 20 10 FGCDHM C[C@@H](NC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1)c1cccs1 ZINC000255572543 497369647 /nfs/dbraw/zinc/36/96/47/497369647.db2.gz SDSMBTQPYICTDR-NVXWUHKLSA-N -1 3 374.506 3.312 20 10 FGCDHM COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cc1 ZINC000267608175 497587081 /nfs/dbraw/zinc/58/70/81/497587081.db2.gz QVNDFVCDDJTGLA-UHFFFAOYSA-N -1 3 369.417 3.150 20 10 FGCDHM C[C@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000191189283 497737704 /nfs/dbraw/zinc/73/77/04/497737704.db2.gz ZZNXFWMJOSWQHT-KSSFIOAISA-N -1 3 362.420 3.395 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccnc(C(F)(F)F)c2)c1 ZINC000296456486 498051279 /nfs/dbraw/zinc/05/12/79/498051279.db2.gz NAVWUPGZGZFMKH-JTQLQIEISA-N -1 3 354.328 3.443 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1[O-] ZINC000286711053 498484047 /nfs/dbraw/zinc/48/40/47/498484047.db2.gz WTAOSJYHLHFTBU-RISCZKNCSA-N -1 3 365.779 3.241 20 10 FGCDHM CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000297551901 498490328 /nfs/dbraw/zinc/49/03/28/498490328.db2.gz QWJDYLIYGFXMET-UHFFFAOYSA-N -1 3 373.428 3.011 20 10 FGCDHM CCCOc1ccc(CN2CCOC[C@@H]2c2nnc(C(C)C)o2)c([O-])c1 ZINC000282847765 498678979 /nfs/dbraw/zinc/67/89/79/498678979.db2.gz DFRUZASZGAYIJL-MRXNPFEDSA-N -1 3 361.442 3.261 20 10 FGCDHM COc1c([O-])c(CN(C)[C@@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000295137250 498922490 /nfs/dbraw/zinc/92/24/90/498922490.db2.gz YZXZPBXCULILLW-HNNXBMFYSA-N -1 3 366.801 3.128 20 10 FGCDHM O=S1(=O)CCN(Cc2cc(Cl)ccc2[O-])[C@@H](c2ccccc2)C1 ZINC000370229950 499199924 /nfs/dbraw/zinc/19/99/24/499199924.db2.gz GRMRJSKTWIADBR-MRXNPFEDSA-N -1 3 351.855 3.017 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCc2nc(C3CC3)ncc2C1 ZINC000529668818 504755850 /nfs/dbraw/zinc/75/58/50/504755850.db2.gz OJHWQZRPEYVBDZ-UHFFFAOYSA-N -1 3 360.255 3.380 20 10 FGCDHM CC[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736402860 598611499 /nfs/dbraw/zinc/61/14/99/598611499.db2.gz OZPPJMVAAWQIBV-MRXNPFEDSA-N -1 3 364.453 3.289 20 10 FGCDHM CCSCCOC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736668125 598641650 /nfs/dbraw/zinc/64/16/50/598641650.db2.gz XPPQAMUOUPWQSA-UHFFFAOYSA-N -1 3 371.466 3.184 20 10 FGCDHM COc1ccc(O)c(CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000833733850 605247312 /nfs/dbraw/zinc/24/73/12/605247312.db2.gz SQAUTOTXQJZFPO-MRXNPFEDSA-N -1 3 355.312 3.076 20 10 FGCDHM Fc1ccc2c(C3=CCN(c4cnccc4-c4nnn[n-]4)CC3)c[nH]c2c1 ZINC000826376058 608775602 /nfs/dbraw/zinc/77/56/02/608775602.db2.gz NAKJTQYQDLRMOH-UHFFFAOYSA-N -1 3 361.384 3.176 20 10 FGCDHM Fc1ccc2c(C3=CCN(c4cnccc4-c4nn[n-]n4)CC3)c[nH]c2c1 ZINC000826376058 608775606 /nfs/dbraw/zinc/77/56/06/608775606.db2.gz NAKJTQYQDLRMOH-UHFFFAOYSA-N -1 3 361.384 3.176 20 10 FGCDHM CCOC(=O)Nc1ccc(NCc2cc(C)ccc2O)cc1-c1nnn[n-]1 ZINC000825553728 609490664 /nfs/dbraw/zinc/49/06/64/609490664.db2.gz VQZOOKWIEIOPKD-UHFFFAOYSA-N -1 3 368.397 3.061 20 10 FGCDHM CCOC(=O)Nc1ccc(NCc2cc(C)ccc2O)cc1-c1nn[n-]n1 ZINC000825553728 609490665 /nfs/dbraw/zinc/49/06/65/609490665.db2.gz VQZOOKWIEIOPKD-UHFFFAOYSA-N -1 3 368.397 3.061 20 10 FGCDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000091920909 700428491 /nfs/dbraw/zinc/42/84/91/700428491.db2.gz UNPIOSLWHJSJAW-HOCLYGCPSA-N -1 3 353.871 3.432 20 10 FGCDHM COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000132799158 700831501 /nfs/dbraw/zinc/83/15/01/700831501.db2.gz KGMZPNGGQXXQSG-VIFPVBQESA-N -1 3 359.806 3.233 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCN(c3ccc(Cl)cn3)CC2)c1[O-] ZINC000177269131 705615171 /nfs/dbraw/zinc/61/51/71/705615171.db2.gz BMABOSRRLKNDPI-UHFFFAOYSA-N -1 3 363.820 3.105 20 10 FGCDHM CN(Cc1cn2c(n1)CCCC2)Cc1cc(Br)ccc1[O-] ZINC000373883821 713879922 /nfs/dbraw/zinc/87/99/22/713879922.db2.gz VTUXJRLBEXBADB-UHFFFAOYSA-N -1 3 350.260 3.320 20 10 FGCDHM CN(CCN(C)C(=O)OC(C)(C)C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000779597407 724418890 /nfs/dbraw/zinc/41/88/90/724418890.db2.gz SRZQIYMYMHHMHP-UHFFFAOYSA-N -1 3 373.837 3.253 20 10 FGCDHM CO[C@@H]1CC[C@H]2OCCN(Cc3cc(C)cc(Br)c3[O-])[C@@H]2C1 ZINC000781913171 724611785 /nfs/dbraw/zinc/61/17/85/724611785.db2.gz ZWQRHYSSXGNPKK-FVQBIDKESA-N -1 3 370.287 3.231 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCS[C@@H]3COCC[C@H]32)c1 ZINC000781907779 724610761 /nfs/dbraw/zinc/61/07/61/724610761.db2.gz IOGDVQIIYKHLKW-ZIAGYGMSSA-N -1 3 358.301 3.169 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000781909922 724611436 /nfs/dbraw/zinc/61/14/36/724611436.db2.gz GEDGBYYAVMEQLF-CQSZACIVSA-N -1 3 367.287 3.050 20 10 FGCDHM C[C@@H]1CN(C[C@@H]2CCCN2Cc2c([O-])ccc(Cl)c2F)C[C@H](C)O1 ZINC000792167326 723317257 /nfs/dbraw/zinc/31/72/57/723317257.db2.gz NFPFASKWZZIUOJ-MJBXVCDLSA-N -1 3 356.869 3.258 20 10 FGCDHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(N(CC)CC)cc2)s1 ZINC000763578159 723352192 /nfs/dbraw/zinc/35/21/92/723352192.db2.gz MCZSKRUNKAJGTE-UHFFFAOYSA-N -1 3 353.513 3.030 20 10 FGCDHM NC(=O)[C@@H](NCc1cc(Cl)ccc1[O-])c1cccc(Br)c1 ZINC000793267052 723418681 /nfs/dbraw/zinc/41/86/81/723418681.db2.gz SBUYRLBSIHNSCY-AWEZNQCLSA-N -1 3 369.646 3.124 20 10 FGCDHM CN(Cc1ccc2c(c1)OCO2)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768196373 723650214 /nfs/dbraw/zinc/65/02/14/723650214.db2.gz BXFQMYWQHRRGKK-UHFFFAOYSA-N -1 3 350.758 3.315 20 10 FGCDHM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cccc(Br)c1[O-] ZINC000769499206 723687506 /nfs/dbraw/zinc/68/75/06/723687506.db2.gz OSKRZCMINRZAII-HUUCEWRRSA-N -1 3 369.303 3.376 20 10 FGCDHM CC[C@H]1CN(Cc2cc(Br)ccc2[O-])CCN1CC(F)F ZINC000769515013 723688509 /nfs/dbraw/zinc/68/85/09/723688509.db2.gz QDMNJRWGPABVEZ-ZDUSSCGKSA-N -1 3 363.246 3.316 20 10 FGCDHM CCCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCC1 ZINC000769738084 723693583 /nfs/dbraw/zinc/69/35/83/723693583.db2.gz HMOKPRBOGJPSMY-UHFFFAOYSA-N -1 3 368.499 3.339 20 10 FGCDHM COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816608343 727180165 /nfs/dbraw/zinc/18/01/65/727180165.db2.gz WWVNFNCONPWFFT-CYBMUJFWSA-N -1 3 355.715 3.112 20 10 FGCDHM COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816608344 727180220 /nfs/dbraw/zinc/18/02/20/727180220.db2.gz WWVNFNCONPWFFT-ZDUSSCGKSA-N -1 3 355.715 3.112 20 10 FGCDHM COC(=O)c1cnc([C@@H](C)NCc2cccc(Br)c2[O-])s1 ZINC000818232336 727302765 /nfs/dbraw/zinc/30/27/65/727302765.db2.gz ZXNGDYKHKCDJSI-MRVPVSSYSA-N -1 3 371.256 3.249 20 10 FGCDHM Cn1cc([C@@H]2CSCCN2Cc2ccc(Br)cc2[O-])cn1 ZINC000825685887 729391505 /nfs/dbraw/zinc/39/15/05/729391505.db2.gz PDZITGNYXPUJHV-AWEZNQCLSA-N -1 3 368.300 3.178 20 10 FGCDHM C[C@@H](NCc1nnc(C2CC2)[nH]1)c1cc(Br)c(F)cc1[O-] ZINC000834871809 729840193 /nfs/dbraw/zinc/84/01/93/729840193.db2.gz SUNUPJLDUORMCX-SSDOTTSWSA-N -1 3 355.211 3.140 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CC(CO)(c3ccccc3)C2)c1 ZINC000840970972 730199031 /nfs/dbraw/zinc/19/90/31/730199031.db2.gz YQPRXYPWZGGBGX-UHFFFAOYSA-N -1 3 362.267 3.209 20 10 FGCDHM CC1(C)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC(C)(C)C1 ZINC000855690521 731946173 /nfs/dbraw/zinc/94/61/73/731946173.db2.gz PHWNWMBLHKDQDU-UHFFFAOYSA-N -1 3 368.499 3.052 20 10 FGCDHM CCOC(=O)C[C@@H](NCc1c([O-])cccc1Br)C(F)(F)F ZINC000862412594 732828728 /nfs/dbraw/zinc/82/87/28/732828728.db2.gz QZAQPHKTAFLHQZ-LLVKDONJSA-N -1 3 370.165 3.128 20 10 FGCDHM CC(C)=CCSC[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)[O-] ZINC000864512387 733070449 /nfs/dbraw/zinc/07/04/49/733070449.db2.gz GZLWEDPUSHAEDZ-OAHLLOKOSA-N -1 3 358.454 3.273 20 10 FGCDHM C[C@@](CO)(NCc1c([O-])ccc(Cl)c1F)c1cccc([N+](=O)[O-])c1 ZINC000865705379 733254864 /nfs/dbraw/zinc/25/48/64/733254864.db2.gz POMCLVCBCGWMDT-INIZCTEOSA-N -1 3 354.765 3.090 20 10 FGCDHM C[C@@](CO)(NCc1cc(F)cc(F)c1[O-])c1ccc(Br)cc1 ZINC000883117524 737525844 /nfs/dbraw/zinc/52/58/44/737525844.db2.gz BEKAJJAEUSREQV-INIZCTEOSA-N -1 3 372.209 3.430 20 10 FGCDHM O=C(CC1CCN(Cc2cc(F)cc(F)c2[O-])CC1)NC1CCCC1 ZINC000893976453 742221512 /nfs/dbraw/zinc/22/15/12/742221512.db2.gz SEBYUBMIJAVASM-UHFFFAOYSA-N -1 3 352.425 3.331 20 10 FGCDHM COc1ccc(O)c([C@H](C)NCc2ncc(Br)cc2[O-])c1 ZINC000894501714 742292833 /nfs/dbraw/zinc/29/28/33/742292833.db2.gz FNVFKRSIJGCQFV-VIFPVBQESA-N -1 3 353.216 3.115 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CNCc2cnn(CC3CCC3)c2)c1[O-] ZINC000897432297 742678486 /nfs/dbraw/zinc/67/84/86/742678486.db2.gz ISRDXCGADJDYQJ-UHFFFAOYSA-N -1 3 350.806 3.240 20 10 FGCDHM O=C(NCCc1nc(C(F)(F)F)cs1)NCc1c([O-])cccc1F ZINC000920936907 758622619 /nfs/dbraw/zinc/62/26/19/758622619.db2.gz NPLBGCNJXREYDE-UHFFFAOYSA-N -1 3 363.336 3.049 20 10 FGCDHM C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N(C)Cc1ccccc1[O-] ZINC000109770670 494916443 /nfs/dbraw/zinc/91/64/43/494916443.db2.gz RBDPLBUCIWIYAL-AWEZNQCLSA-N -1 3 356.422 3.013 20 10 FGCDHM COc1cccc([C@H]2CCCN2C(=O)CN(C)Cc2ccccc2[O-])c1 ZINC000109772008 494916887 /nfs/dbraw/zinc/91/68/87/494916887.db2.gz NXJVZASXAAULNA-LJQANCHMSA-N -1 3 354.450 3.196 20 10 FGCDHM Cc1ccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c([O-])c1O ZINC000182853683 495728536 /nfs/dbraw/zinc/72/85/36/495728536.db2.gz BDQCFUANDJRCJA-DOTOQJQBSA-N -1 3 359.397 3.274 20 10 FGCDHM [O-]c1cc(OCc2ccccc2)ccc1CN1CCOC2(CCOCC2)C1 ZINC000183122431 495843846 /nfs/dbraw/zinc/84/38/46/495843846.db2.gz NURRNUSFWMXCRT-UHFFFAOYSA-N -1 3 369.461 3.353 20 10 FGCDHM COc1cc(Cl)cc(CN(C)Cc2nccn2CC(F)(F)F)c1[O-] ZINC000273763290 496899177 /nfs/dbraw/zinc/89/91/77/496899177.db2.gz PKVOCIPIBUFOBA-UHFFFAOYSA-N -1 3 363.767 3.445 20 10 FGCDHM COc1c([O-])c(CN(Cc2ccco2)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278168620 497026033 /nfs/dbraw/zinc/02/60/33/497026033.db2.gz FQNSHBZKZYWUQD-HNNXBMFYSA-N -1 3 362.382 3.083 20 10 FGCDHM COc1c([O-])c(CN(Cc2ccco2)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278168623 497026446 /nfs/dbraw/zinc/02/64/46/497026446.db2.gz FQNSHBZKZYWUQD-OAHLLOKOSA-N -1 3 362.382 3.083 20 10 FGCDHM COCC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(C)o1 ZINC000278499324 497134738 /nfs/dbraw/zinc/13/47/38/497134738.db2.gz NGDXTEMRQOUNKW-ZDUSSCGKSA-N -1 3 350.371 3.078 20 10 FGCDHM COc1c([O-])c(CNc2ccccc2O[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000278634174 497175102 /nfs/dbraw/zinc/17/51/02/497175102.db2.gz HDUDIEPIHFFQPH-CYBMUJFWSA-N -1 3 360.366 3.089 20 10 FGCDHM CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cccc(O)c1[O-] ZINC000193000088 497270902 /nfs/dbraw/zinc/27/09/02/497270902.db2.gz HPIISAYLNZDWNE-UHFFFAOYSA-N -1 3 352.390 3.458 20 10 FGCDHM COc1c([O-])c(CN[C@H](c2ccccc2)[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278938321 497273649 /nfs/dbraw/zinc/27/36/49/497273649.db2.gz XHSBPLONIMFVRX-DLBZAZTESA-N -1 3 358.394 3.319 20 10 FGCDHM CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000280291789 497710627 /nfs/dbraw/zinc/71/06/27/497710627.db2.gz ZFTOWTHLXDNJHF-VIFPVBQESA-N -1 3 361.435 3.376 20 10 FGCDHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c([O-])c1O ZINC000272845519 497744367 /nfs/dbraw/zinc/74/43/67/497744367.db2.gz RZEHJCSEUXWZFJ-UHFFFAOYSA-N -1 3 372.396 3.036 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)OC1CCOCC1 ZINC000289387816 498129441 /nfs/dbraw/zinc/12/94/41/498129441.db2.gz DCNFZFPPYPKBPO-UHFFFAOYSA-N -1 3 358.232 3.292 20 10 FGCDHM Cc1ccc(C(=O)N[C@H](c2noc(C3CC3)n2)c2ccccc2)c([O-])c1O ZINC000365014749 498256244 /nfs/dbraw/zinc/25/62/44/498256244.db2.gz QDEWDILKYMCTQD-HNNXBMFYSA-N -1 3 365.389 3.186 20 10 FGCDHM COc1cc(CCO)ccc1NCc1cc(Br)ccc1[O-] ZINC000289733896 498270085 /nfs/dbraw/zinc/27/00/85/498270085.db2.gz OZYZLHMXSQIWSU-UHFFFAOYSA-N -1 3 352.228 3.310 20 10 FGCDHM [O-]c1ccccc1CN(Cc1ncnn1-c1ccccc1)C[C@H]1CCCO1 ZINC000281871353 498299971 /nfs/dbraw/zinc/29/99/71/498299971.db2.gz CGYFGTOYRKUXHZ-LJQANCHMSA-N -1 3 364.449 3.154 20 10 FGCDHM [O-]c1cccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c1Cl ZINC000293732212 498470255 /nfs/dbraw/zinc/47/02/55/498470255.db2.gz ZKRPULPSEVCVTE-UHFFFAOYSA-N -1 3 364.848 3.436 20 10 FGCDHM CCn1cnnc1[C@@H]1CN([C@@H](C)c2ccc3ccccc3c2[O-])CCO1 ZINC000365525684 498513686 /nfs/dbraw/zinc/51/36/86/498513686.db2.gz CWPKKLMKOUOQTH-KSSFIOAISA-N -1 3 352.438 3.291 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000365560972 498532510 /nfs/dbraw/zinc/53/25/10/498532510.db2.gz AJHPDLDDICOIGZ-LLVKDONJSA-N -1 3 356.353 3.398 20 10 FGCDHM Cc1c(N[C@@H](C)c2ccc(F)cc2[O-])cccc1N1C(=O)CCNC1=O ZINC000282742886 498635566 /nfs/dbraw/zinc/63/55/66/498635566.db2.gz NHCAEVCEJPFYJD-LBPRGKRZSA-N -1 3 357.385 3.459 20 10 FGCDHM COc1cc(Cl)cc(CN[C@H](C)c2noc(COC(C)C)n2)c1[O-] ZINC000290842788 498698489 /nfs/dbraw/zinc/69/84/89/498698489.db2.gz IKMADBSFASFMNT-SNVBAGLBSA-N -1 3 355.822 3.213 20 10 FGCDHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000291098951 498794235 /nfs/dbraw/zinc/79/42/35/498794235.db2.gz QWQGDSUYWTYQMM-ZDUSSCGKSA-N -1 3 370.409 3.071 20 10 FGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000295432052 499016083 /nfs/dbraw/zinc/01/60/83/499016083.db2.gz TWAVTRYQJVVDPO-LLVKDONJSA-N -1 3 350.825 3.102 20 10 FGCDHM C[C@@H](NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1cc(F)ccc1[O-] ZINC000369902573 499148970 /nfs/dbraw/zinc/14/89/70/499148970.db2.gz OJQJEKMEJPAYBF-ZJUUUORDSA-N -1 3 358.339 3.098 20 10 FGCDHM Cn1cc([C@H](O)C[C@H]2CCCN2Cc2c([O-])ccc(Cl)c2F)cn1 ZINC000372811816 499179048 /nfs/dbraw/zinc/17/90/48/499179048.db2.gz LAGDSMVGZOKLRE-MLGOLLRUSA-N -1 3 353.825 3.006 20 10 FGCDHM CC[C@H](c1ccccc1[O-])N1CCOC[C@H]1c1ncnn1-c1ccccc1 ZINC000368591130 499311266 /nfs/dbraw/zinc/31/12/66/499311266.db2.gz GMAPLJGKOVYTPX-MOPGFXCFSA-N -1 3 364.449 3.498 20 10 FGCDHM Cc1nc(CNCc2cc(Br)ccc2[O-])c2n1CCCC2 ZINC000373135784 499453139 /nfs/dbraw/zinc/45/31/39/499453139.db2.gz AJCKTINKBJTFNH-UHFFFAOYSA-N -1 3 350.260 3.286 20 10 FGCDHM CCCOc1ccc(CN2CCO[C@@H](c3nnc(C(C)C)o3)C2)c([O-])c1 ZINC000373495909 499473213 /nfs/dbraw/zinc/47/32/13/499473213.db2.gz NZVDTVQBZSXREF-QGZVFWFLSA-N -1 3 361.442 3.261 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375414129 499515831 /nfs/dbraw/zinc/51/58/31/499515831.db2.gz LLMYHWCHYJZORJ-LLVKDONJSA-N -1 3 364.243 3.405 20 10 FGCDHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c([O-])c1O ZINC000376170080 499588610 /nfs/dbraw/zinc/58/86/10/499588610.db2.gz DRALPENKVVVTMP-KZNAEPCWSA-N -1 3 353.418 3.051 20 10 FGCDHM COc1cc(Cl)cc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1[O-] ZINC000377622674 499711882 /nfs/dbraw/zinc/71/18/82/499711882.db2.gz HDJOSAFJHJANTR-AWEZNQCLSA-N -1 3 353.768 3.334 20 10 FGCDHM COc1c([O-])c(CN[C@H]2COc3cccc(Cl)c32)ccc1[N+](=O)[O-] ZINC000377882060 499744978 /nfs/dbraw/zinc/74/49/78/499744978.db2.gz CFWZHYGUKJTVFT-NSHDSACASA-N -1 3 350.758 3.186 20 10 FGCDHM CC(C)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCN1Cc1ccccc1 ZINC000529805539 503709542 /nfs/dbraw/zinc/70/95/42/503709542.db2.gz USCKLBQGWVQREQ-SFHVURJKSA-N -1 3 354.450 3.080 20 10 FGCDHM Cc1cc(C(=O)N2CCC(C)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232946 598609135 /nfs/dbraw/zinc/60/91/35/598609135.db2.gz BDHUDEDEWUJQPS-UHFFFAOYSA-N -1 3 364.453 3.146 20 10 FGCDHM Cc1cc(C(=O)N[C@H](C)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235516 598610648 /nfs/dbraw/zinc/61/06/48/598610648.db2.gz WGKZKQCZSSHDCB-CYBMUJFWSA-N -1 3 352.442 3.049 20 10 FGCDHM CC(C)CN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735818331 598819577 /nfs/dbraw/zinc/81/95/77/598819577.db2.gz MFWDJHFLPLWDSP-FPYGCLRLSA-N -1 3 366.400 3.103 20 10 FGCDHM CC(C)CN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735818331 598819579 /nfs/dbraw/zinc/81/95/79/598819579.db2.gz MFWDJHFLPLWDSP-FPYGCLRLSA-N -1 3 366.400 3.103 20 10 FGCDHM COc1ccc(N2CCC(Nc3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000821832108 599518978 /nfs/dbraw/zinc/51/89/78/599518978.db2.gz ZXLYNCUHNPQQJW-UHFFFAOYSA-N -1 3 368.416 3.095 20 10 FGCDHM COc1ccc(N2CCC(Nc3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000821832108 599518979 /nfs/dbraw/zinc/51/89/79/599518979.db2.gz ZXLYNCUHNPQQJW-UHFFFAOYSA-N -1 3 368.416 3.095 20 10 FGCDHM COc1ccc2ccc([O-])c(C[NH+]3CCC(CN(C)C(=O)[O-])CC3)c2c1 ZINC000739943141 602374260 /nfs/dbraw/zinc/37/42/60/602374260.db2.gz TYWWEPOPRLFSCA-UHFFFAOYSA-N -1 3 358.438 3.376 20 10 FGCDHM CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCc2c1cnn2C ZINC000093863900 700455415 /nfs/dbraw/zinc/45/54/15/700455415.db2.gz FHWBWJRYUCGPRV-ZDUSSCGKSA-N -1 3 350.806 3.197 20 10 FGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2cc(Br)cn2C)c1[O-] ZINC000151627500 704931025 /nfs/dbraw/zinc/93/10/25/704931025.db2.gz QXKYVILKWNXWHH-UHFFFAOYSA-N -1 3 369.234 3.467 20 10 FGCDHM COC(=O)CN(Cc1ccnc(Cl)c1)Cc1cc(Cl)ccc1[O-] ZINC000171927550 705401386 /nfs/dbraw/zinc/40/13/86/705401386.db2.gz PRFUHUDEKRBXQF-UHFFFAOYSA-N -1 3 355.221 3.269 20 10 FGCDHM CCCCNC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177084209 705605035 /nfs/dbraw/zinc/60/50/35/705605035.db2.gz QGOTUXVKEGWDAS-AWEZNQCLSA-N -1 3 366.889 3.377 20 10 FGCDHM Cc1noc(C2(C)CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)n1 ZINC000374730652 713941424 /nfs/dbraw/zinc/94/14/24/713941424.db2.gz IGINDDJJSAYIFX-UHFFFAOYSA-N -1 3 366.805 3.199 20 10 FGCDHM Cc1nscc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000781353260 724556069 /nfs/dbraw/zinc/55/60/69/724556069.db2.gz ZOSQYJSYXJUBAF-AWEZNQCLSA-N -1 3 365.886 3.205 20 10 FGCDHM Cc1nscc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000781353261 724555935 /nfs/dbraw/zinc/55/59/35/724555935.db2.gz ZOSQYJSYXJUBAF-CQSZACIVSA-N -1 3 365.886 3.205 20 10 FGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Br)cc1F ZINC000804891501 724561234 /nfs/dbraw/zinc/56/12/34/724561234.db2.gz CWIZJWCGCMVJIG-QMMMGPOBSA-N -1 3 354.175 3.490 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cn3cc(Cl)ccc3n2)c1 ZINC000756391861 722963884 /nfs/dbraw/zinc/96/38/84/722963884.db2.gz HGOAQVSONALKTG-LLVKDONJSA-N -1 3 359.813 3.331 20 10 FGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)c1c(Cl)cccc1Cl ZINC000790919552 723193288 /nfs/dbraw/zinc/19/32/88/723193288.db2.gz QDOMAOLTIBXFMA-RMLUDKJBSA-N -1 3 356.205 3.257 20 10 FGCDHM O=C1C[C@H](NCc2c([O-])ccc(Cl)c2F)CN1c1c(F)cccc1F ZINC000790982677 723202228 /nfs/dbraw/zinc/20/22/28/723202228.db2.gz WPONMBJLPIWACL-VIFPVBQESA-N -1 3 370.758 3.358 20 10 FGCDHM CCNC(=O)OC[C@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000796160539 723624259 /nfs/dbraw/zinc/62/42/59/723624259.db2.gz JQXKCLGBBPEZPC-OAHLLOKOSA-N -1 3 368.861 3.349 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2COC(=O)N(C)C)c1[O-] ZINC000796550606 723643203 /nfs/dbraw/zinc/64/32/03/723643203.db2.gz IWANJTUGUYSWIW-HNNXBMFYSA-N -1 3 368.861 3.301 20 10 FGCDHM COC(=O)CN(Cc1ccccc1)Cc1cc(Br)ccc1[O-] ZINC000768683062 723665263 /nfs/dbraw/zinc/66/52/63/723665263.db2.gz LDRCNBGVWSDRSP-UHFFFAOYSA-N -1 3 364.239 3.330 20 10 FGCDHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000770355468 723711855 /nfs/dbraw/zinc/71/18/55/723711855.db2.gz XFVLIABKJUAZBY-MLGOLLRUSA-N -1 3 370.877 3.160 20 10 FGCDHM C[C@@H]1CN(C[C@@H]2CCCN2Cc2cc(Cl)cc(F)c2[O-])C[C@@H](C)O1 ZINC000775660698 724018045 /nfs/dbraw/zinc/01/80/45/724018045.db2.gz GWBDGTNRMRZTJI-IOASZLSFSA-N -1 3 356.869 3.258 20 10 FGCDHM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cccc(O)c1[O-] ZINC000776336809 724133819 /nfs/dbraw/zinc/13/38/19/724133819.db2.gz OJWQARSDGRNVMZ-JTQLQIEISA-N -1 3 350.212 3.221 20 10 FGCDHM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc(O)c1[O-] ZINC000787468328 725029615 /nfs/dbraw/zinc/02/96/15/725029615.db2.gz JZPABNJKEROVQM-SNVBAGLBSA-N -1 3 351.786 3.417 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000809704357 725260822 /nfs/dbraw/zinc/26/08/22/725260822.db2.gz APXAZJGDEZGTFH-CYBMUJFWSA-N -1 3 368.193 3.434 20 10 FGCDHM [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1nnc(-c2ccc(F)cc2)[n-]1 ZINC000816564060 727176129 /nfs/dbraw/zinc/17/61/29/727176129.db2.gz SNAQLCAOWBSMJT-UHFFFAOYSA-N -1 3 350.756 3.399 20 10 FGCDHM O=C1NCCCN(Cc2cc(Cl)c(F)cc2[O-])[C@H]1Cc1ccccc1 ZINC000816641370 727183632 /nfs/dbraw/zinc/18/36/32/727183632.db2.gz PNJSRQFWOZGJCS-KRWDZBQOSA-N -1 3 362.832 3.118 20 10 FGCDHM Cc1ccc(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)c([O-])c1O ZINC000819678233 727387822 /nfs/dbraw/zinc/38/78/22/727387822.db2.gz KQRKQXAIEYLMKD-UHFFFAOYSA-N -1 3 361.467 3.272 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCN(c2ccccc2O)CC1 ZINC000824491239 729342714 /nfs/dbraw/zinc/34/27/14/729342714.db2.gz ONPKTCFSNBGVPS-UHFFFAOYSA-N -1 3 363.255 3.183 20 10 FGCDHM COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000826894688 729418156 /nfs/dbraw/zinc/41/81/56/729418156.db2.gz UCYNSBXTUYVIEC-ZJUUUORDSA-N -1 3 369.742 3.358 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCO[C@@]3(CCSC3)C2)c1 ZINC000843417569 730618054 /nfs/dbraw/zinc/61/80/54/730618054.db2.gz ISGFBUZSNQWUBT-HNNXBMFYSA-N -1 3 358.301 3.171 20 10 FGCDHM COc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000847590734 731068590 /nfs/dbraw/zinc/06/85/90/731068590.db2.gz FXNAMJSOKIQKMO-AWEZNQCLSA-N -1 3 364.829 3.042 20 10 FGCDHM CC(=O)c1cc(F)cc(CN(C)C[C@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000860093529 732448353 /nfs/dbraw/zinc/44/83/53/732448353.db2.gz CZQHVPUSNVDQRW-NSHDSACASA-N -1 3 354.422 3.079 20 10 FGCDHM C[C@H]1CN(Cc2c([O-])cccc2Br)C[C@@H](C(F)(F)F)O1 ZINC000862247678 732797199 /nfs/dbraw/zinc/79/71/99/732797199.db2.gz AAQXHQXFANFVJZ-UFBFGSQYSA-N -1 3 354.166 3.306 20 10 FGCDHM COc1ccc(N[C@@H](C)c2c(O)cccc2F)cc1[N-]S(C)(=O)=O ZINC000886582828 739272363 /nfs/dbraw/zinc/27/23/63/739272363.db2.gz MPPYSHSGLMORPE-JTQLQIEISA-N -1 3 354.403 3.085 20 10 FGCDHM C[C@@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1c([O-])cccc1F ZINC000886600989 739273472 /nfs/dbraw/zinc/27/34/72/739273472.db2.gz HCBSJUSZFUASJX-SNVBAGLBSA-N -1 3 357.834 3.439 20 10 FGCDHM CN(C)c1ccc(CNCc2ncc(Br)cc2[O-])cc1F ZINC000892738543 740038980 /nfs/dbraw/zinc/03/89/80/740038980.db2.gz VQLCODISOXUWOV-UHFFFAOYSA-N -1 3 354.223 3.045 20 10 FGCDHM Cc1ccc(C(=O)NC2CCN(Cc3cc(F)cc(F)c3[O-])CC2)s1 ZINC000893983971 742222518 /nfs/dbraw/zinc/22/25/18/742222518.db2.gz IOKSAFBDDBEJCW-UHFFFAOYSA-N -1 3 366.433 3.435 20 10 FGCDHM CC(=O)NCC[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894781138 742332732 /nfs/dbraw/zinc/33/27/32/742332732.db2.gz OFEVMBVBTJMYTO-GFCCVEGCSA-N -1 3 373.266 3.032 20 10 FGCDHM C[C@H]1CS(=O)(=O)CCCN1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000902559409 743758035 /nfs/dbraw/zinc/75/80/35/743758035.db2.gz VXQYCVOJQWOICB-ZDUSSCGKSA-N -1 3 359.447 3.301 20 10 FGCDHM C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000903396422 743844767 /nfs/dbraw/zinc/84/47/67/743844767.db2.gz LVYBECZIJYQOLM-VHSXEESVSA-N -1 3 369.252 3.124 20 10 FGCDHM C[C@@H](c1cccc(C(F)(F)F)c1[O-])N1CCc2sc(CN)nc2C1 ZINC000925750001 759530600 /nfs/dbraw/zinc/53/06/00/759530600.db2.gz BZYWPSJDLUQVGQ-VIFPVBQESA-N -1 3 357.401 3.446 20 10 FGCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000926957954 759859956 /nfs/dbraw/zinc/85/99/56/759859956.db2.gz ZPSVWEPDJGKCAS-CZUORRHYSA-N -1 3 350.340 3.379 20 10 FGCDHM Cc1ccccc1NC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000072952763 494289779 /nfs/dbraw/zinc/28/97/79/494289779.db2.gz JEZMEZHGNXIRGW-SFHVURJKSA-N -1 3 354.450 3.320 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CC[C@@H]1CCCO1 ZINC000075416644 494759749 /nfs/dbraw/zinc/75/97/49/494759749.db2.gz MOZNLWGQHAWRBF-AWEZNQCLSA-N -1 3 356.260 3.462 20 10 FGCDHM [O-]c1ccccc1CN(Cc1nnc(C2CC2)n1C1CC1)C[C@H]1CCCO1 ZINC000181461205 496406547 /nfs/dbraw/zinc/40/65/47/496406547.db2.gz UUJHQRBIWWJWCN-GOSISDBHSA-N -1 3 368.481 3.377 20 10 FGCDHM COc1cc(Cl)cc(CN2CCC(C(=O)C(F)(F)F)CC2)c1[O-] ZINC000187660127 496524181 /nfs/dbraw/zinc/52/41/81/496524181.db2.gz JHVHKFKGUVYCIO-UHFFFAOYSA-N -1 3 351.752 3.398 20 10 FGCDHM C[C@@H](NCc1cnc(N2CCOCC2)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000185279179 496723224 /nfs/dbraw/zinc/72/32/24/496723224.db2.gz AXUCSXNTEUWWDS-GFCCVEGCSA-N -1 3 365.836 3.267 20 10 FGCDHM C[C@H](NCc1cccc(CN2CCCC2=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273296572 496766689 /nfs/dbraw/zinc/76/66/89/496766689.db2.gz AHVGWSGVVNTHEH-AWEZNQCLSA-N -1 3 369.421 3.274 20 10 FGCDHM CC(C)c1nnc2n1CCN(Cc1cc(Br)ccc1[O-])[C@H]2C ZINC000188448267 496793428 /nfs/dbraw/zinc/79/34/28/496793428.db2.gz BROALHCFPXTQRA-NSHDSACASA-N -1 3 365.275 3.446 20 10 FGCDHM CCCNC(=O)c1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273401689 496796150 /nfs/dbraw/zinc/79/61/50/496796150.db2.gz NEVXDRCWLLJCFF-ZDUSSCGKSA-N -1 3 357.410 3.291 20 10 FGCDHM [O-]c1c(Br)cccc1CNCc1cccc2c1OCCO2 ZINC000265001153 497028644 /nfs/dbraw/zinc/02/86/44/497028644.db2.gz ZSASXUNYGZPWCJ-UHFFFAOYSA-N -1 3 350.212 3.216 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc(COC(C)(C)C)on2)c1 ZINC000275026756 497222034 /nfs/dbraw/zinc/22/20/34/497222034.db2.gz VESBUXLIRRMTEQ-LBPRGKRZSA-N -1 3 362.426 3.333 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000266858678 497433169 /nfs/dbraw/zinc/43/31/69/497433169.db2.gz YOWBQEIMUFPWSZ-NWDGAFQWSA-N -1 3 371.275 3.111 20 10 FGCDHM COc1c([O-])c(CNc2ccc(C)c(NC(=O)N(C)C)c2)ccc1[N+](=O)[O-] ZINC000280490589 497770245 /nfs/dbraw/zinc/77/02/45/497770245.db2.gz KCPOACZDQOANCV-UHFFFAOYSA-N -1 3 374.397 3.323 20 10 FGCDHM CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000286885661 498540179 /nfs/dbraw/zinc/54/01/79/498540179.db2.gz SHHCVMZMMNPRAI-ZDUSSCGKSA-N -1 3 364.442 3.007 20 10 FGCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)cc1 ZINC000290591924 498611629 /nfs/dbraw/zinc/61/16/29/498611629.db2.gz XOSDOBLVWSMNLJ-UHFFFAOYSA-N -1 3 351.424 3.127 20 10 FGCDHM COCCOCc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000291246513 498862209 /nfs/dbraw/zinc/86/22/09/498862209.db2.gz PAPVTGYLZREMJV-CQSZACIVSA-N -1 3 360.410 3.314 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000284239005 499074345 /nfs/dbraw/zinc/07/43/45/499074345.db2.gz DYDCQIZJZMCCNE-AUUYWEPGSA-N -1 3 372.465 3.141 20 10 FGCDHM Cc1ccc2c(c1)[C@@H](N1C(=O)CN(Cc3cc(Cl)ccc3[O-])C1=O)CO2 ZINC000372905150 499192764 /nfs/dbraw/zinc/19/27/64/499192764.db2.gz AOBYETKOWGBJBX-HNNXBMFYSA-N -1 3 372.808 3.252 20 10 FGCDHM CCCOc1ccc(CN2CCCN(C(=O)c3ccoc3)CC2)c([O-])c1 ZINC000371412580 499323338 /nfs/dbraw/zinc/32/33/38/499323338.db2.gz WSLIIYGGNWHMTB-UHFFFAOYSA-N -1 3 358.438 3.122 20 10 FGCDHM CCc1nc([C@@H]2CCCN(Cc3cc(Cl)cc(OC)c3[O-])C2)no1 ZINC000368708849 499324331 /nfs/dbraw/zinc/32/43/31/499324331.db2.gz XXPQEUSEEJPLPZ-LLVKDONJSA-N -1 3 351.834 3.379 20 10 FGCDHM COCCn1cc2c(n1)[C@H](NCc1cc(Cl)cc(OC)c1[O-])CCC2 ZINC000376614348 499623198 /nfs/dbraw/zinc/62/31/98/499623198.db2.gz GLLMNLXFGWNHFX-OAHLLOKOSA-N -1 3 365.861 3.064 20 10 FGCDHM Cc1cc(C(=O)NCc2ccc3cccnc3c2[O-])c(C)n1[C@H]1CCOC1 ZINC000529503021 504702409 /nfs/dbraw/zinc/70/24/09/504702409.db2.gz RHOMUYLEPBPWEN-KRWDZBQOSA-N -1 3 365.433 3.250 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCc2nc(C3CC3)ncc2C1 ZINC000529664753 504754749 /nfs/dbraw/zinc/75/47/49/504754749.db2.gz GOMQYISAJYICNV-UHFFFAOYSA-N -1 3 360.255 3.380 20 10 FGCDHM CC1(N2CCOCC2)CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000529664577 504754786 /nfs/dbraw/zinc/75/47/86/504754786.db2.gz RLSVTUIKUMTZRW-UHFFFAOYSA-N -1 3 359.297 3.386 20 10 FGCDHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000818052355 597245972 /nfs/dbraw/zinc/24/59/72/597245972.db2.gz GOMUHXOSJOAKJX-AWEZNQCLSA-N -1 3 358.413 3.211 20 10 FGCDHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(C)n1-c1ccccn1 ZINC000822108986 607296855 /nfs/dbraw/zinc/29/68/55/607296855.db2.gz OAPQEBALXQWGGM-UHFFFAOYSA-N -1 3 373.420 3.230 20 10 FGCDHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(C)n1-c1ccccn1 ZINC000822108986 607296856 /nfs/dbraw/zinc/29/68/56/607296856.db2.gz OAPQEBALXQWGGM-UHFFFAOYSA-N -1 3 373.420 3.230 20 10 FGCDHM CCN(Cc1ccc(N(C)C)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821221155 607305314 /nfs/dbraw/zinc/30/53/14/607305314.db2.gz IYBHJGNYBPAFQU-UHFFFAOYSA-N -1 3 357.849 3.008 20 10 FGCDHM CCN(Cc1ccc(N(C)C)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821221155 607305315 /nfs/dbraw/zinc/30/53/15/607305315.db2.gz IYBHJGNYBPAFQU-UHFFFAOYSA-N -1 3 357.849 3.008 20 10 FGCDHM CCN(CC)c1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000736532410 598390838 /nfs/dbraw/zinc/39/08/38/598390838.db2.gz QXBIPZFQCNSKID-UHFFFAOYSA-N -1 3 357.849 3.373 20 10 FGCDHM CCN(CC)c1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000736532410 598390839 /nfs/dbraw/zinc/39/08/39/598390839.db2.gz QXBIPZFQCNSKID-UHFFFAOYSA-N -1 3 357.849 3.373 20 10 FGCDHM CCC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736424307 598610063 /nfs/dbraw/zinc/61/00/63/598610063.db2.gz QFLVRAUJLSJGMY-GFCCVEGCSA-N -1 3 352.442 3.193 20 10 FGCDHM O=C([O-])[C@]1(F)CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000833175052 601371139 /nfs/dbraw/zinc/37/11/39/601371139.db2.gz MPNQGTZTQKIROW-INIZCTEOSA-N -1 3 368.202 3.307 20 10 FGCDHM O=C([O-])[C@]1(F)CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000833175052 601371141 /nfs/dbraw/zinc/37/11/41/601371141.db2.gz MPNQGTZTQKIROW-INIZCTEOSA-N -1 3 368.202 3.307 20 10 FGCDHM O=C([O-])N[C@@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000740597105 602424006 /nfs/dbraw/zinc/42/40/06/602424006.db2.gz UQYMRHBOOWFHFC-GFCCVEGCSA-N -1 3 365.227 3.150 20 10 FGCDHM O=C([O-])N[C@@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000740597105 602424009 /nfs/dbraw/zinc/42/40/09/602424009.db2.gz UQYMRHBOOWFHFC-GFCCVEGCSA-N -1 3 365.227 3.150 20 10 FGCDHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826371936 608296172 /nfs/dbraw/zinc/29/61/72/608296172.db2.gz ZSSZXGAETAAEPQ-UHFFFAOYSA-N -1 3 374.782 3.487 20 10 FGCDHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826371936 608296174 /nfs/dbraw/zinc/29/61/74/608296174.db2.gz ZSSZXGAETAAEPQ-UHFFFAOYSA-N -1 3 374.782 3.487 20 10 FGCDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N(C)C)c(F)c1 ZINC000825631773 609476713 /nfs/dbraw/zinc/47/67/13/609476713.db2.gz FUPFGEYGFNGUNK-UHFFFAOYSA-N -1 3 356.405 3.083 20 10 FGCDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(N(C)C)c(F)c1 ZINC000825631773 609476716 /nfs/dbraw/zinc/47/67/16/609476716.db2.gz FUPFGEYGFNGUNK-UHFFFAOYSA-N -1 3 356.405 3.083 20 10 FGCDHM O=[N+]([O-])c1ccc([O-])c(CNCc2cc(Br)ccc2F)c1 ZINC000101590914 700469228 /nfs/dbraw/zinc/46/92/28/700469228.db2.gz HAEHPDZBSLGUQE-UHFFFAOYSA-N -1 3 355.163 3.492 20 10 FGCDHM CC1(C)CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCS1(=O)=O ZINC000151429921 704923656 /nfs/dbraw/zinc/92/36/56/704923656.db2.gz GHXJHWFSDQAAPL-UHFFFAOYSA-N -1 3 363.479 3.026 20 10 FGCDHM COC(=O)CN(CCOc1ccccc1F)Cc1cc(Cl)ccc1[O-] ZINC000731844912 722478581 /nfs/dbraw/zinc/47/85/81/722478581.db2.gz KSKCFCMZGCWFJH-UHFFFAOYSA-N -1 3 367.804 3.239 20 10 FGCDHM CC1(C)CN(Cc2cc3oc4ccccc4c3cc2[O-])CCS1(=O)=O ZINC000756878016 722971091 /nfs/dbraw/zinc/97/10/91/722971091.db2.gz XYHBYYKTUKBDIA-UHFFFAOYSA-N -1 3 359.447 3.301 20 10 FGCDHM O=C(NCCCc1cccc(Br)c1)c1cccc(O)c1[O-] ZINC000790670271 723166243 /nfs/dbraw/zinc/16/62/43/723166243.db2.gz XBPOPQHUGMJTBW-UHFFFAOYSA-N -1 3 350.212 3.223 20 10 FGCDHM CS(=O)(=O)[C@H]1CCCN(Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000763379676 723338820 /nfs/dbraw/zinc/33/88/20/723338820.db2.gz CZLAKWLZENPYHF-AWEZNQCLSA-N -1 3 359.447 3.301 20 10 FGCDHM CC[C@@H]1NC(=O)N(c2cccc(NCc3c([O-])cccc3Cl)c2)C1=O ZINC000793357895 723428991 /nfs/dbraw/zinc/42/89/91/723428991.db2.gz NOKQWCVOHKCKCO-HNNXBMFYSA-N -1 3 359.813 3.493 20 10 FGCDHM CCN1CCN(c2cccc(NC(=O)c3c([O-])cccc3Cl)c2)CC1 ZINC000771637662 723739330 /nfs/dbraw/zinc/73/93/30/723739330.db2.gz RDLKKSWSGPSYAQ-UHFFFAOYSA-N -1 3 359.857 3.440 20 10 FGCDHM COc1c([O-])c(CNCc2coc(-c3cccs3)n2)ccc1[N+](=O)[O-] ZINC000774987797 723948344 /nfs/dbraw/zinc/94/83/44/723948344.db2.gz XQBYZLLOZWZJRS-UHFFFAOYSA-N -1 3 361.379 3.315 20 10 FGCDHM Cn1c(Cl)nc(Cl)c1CNCc1cccc(Br)c1[O-] ZINC000775151566 723964787 /nfs/dbraw/zinc/96/47/87/723964787.db2.gz ICNSLUPJFZIMFG-UHFFFAOYSA-N -1 3 365.058 3.485 20 10 FGCDHM O=C(NCc1ccc(Br)cc1Cl)c1cccc(O)c1[O-] ZINC000776340821 724134197 /nfs/dbraw/zinc/13/41/97/724134197.db2.gz ANEKLSZCMMHHGT-UHFFFAOYSA-N -1 3 356.603 3.444 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNCc2ncnn2-c2ccccc2)c1 ZINC000785526117 724919576 /nfs/dbraw/zinc/91/95/76/724919576.db2.gz OXLVQISYHRVMBI-UHFFFAOYSA-N -1 3 373.254 3.334 20 10 FGCDHM CNC(=O)OC[C@H]1CCCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000809779366 725268127 /nfs/dbraw/zinc/26/81/27/725268127.db2.gz KWISUATUXSXTLH-CYBMUJFWSA-N -1 3 371.275 3.174 20 10 FGCDHM C[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])C[C@H](C)S1(=O)=O ZINC000811797066 725380460 /nfs/dbraw/zinc/38/04/60/725380460.db2.gz SSURPAKLGXIGIU-BETUJISGSA-N -1 3 359.447 3.299 20 10 FGCDHM O=S1(=O)CCN(Cc2ccc3ccccc3c2[O-])CC12CCCCC2 ZINC000816520007 727171003 /nfs/dbraw/zinc/17/10/03/727171003.db2.gz CLOJBBXHRBPKJN-UHFFFAOYSA-N -1 3 359.491 3.479 20 10 FGCDHM CC1(c2nnc(C3CCOCC3)o2)CN(Cc2c([O-])cccc2Cl)C1 ZINC000828036976 729438974 /nfs/dbraw/zinc/43/89/74/729438974.db2.gz ZNSYCMYHJJOYOW-UHFFFAOYSA-N -1 3 363.845 3.096 20 10 FGCDHM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000840915258 730190844 /nfs/dbraw/zinc/19/08/44/730190844.db2.gz NJTGFAOKJWAVPC-UHFFFAOYSA-N -1 3 365.451 3.435 20 10 FGCDHM Cc1cc([O-])c(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)c(Cl)c1 ZINC000840920972 730191790 /nfs/dbraw/zinc/19/17/90/730191790.db2.gz LLJJGQJYCLJBCD-CXAGYDPISA-N -1 3 351.830 3.272 20 10 FGCDHM COC(=O)CN(Cc1ccnn1CC(C)C)Cc1cc(Cl)ccc1[O-] ZINC000843397102 730613889 /nfs/dbraw/zinc/61/38/89/730613889.db2.gz MHVMHLREQBFXTK-UHFFFAOYSA-N -1 3 365.861 3.073 20 10 FGCDHM O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1[O-] ZINC000843421325 730619074 /nfs/dbraw/zinc/61/90/74/730619074.db2.gz XJHCWIZGGVDDPQ-SFHVURJKSA-N -1 3 356.853 3.251 20 10 FGCDHM Cc1cc(C2(NCc3cccc(Br)c3[O-])CCOCC2)on1 ZINC000858325757 732203317 /nfs/dbraw/zinc/20/33/17/732203317.db2.gz KMRFZKZCLABAPP-UHFFFAOYSA-N -1 3 367.243 3.247 20 10 FGCDHM Cn1cc([C@@H]2CSCCN2Cc2c([O-])cccc2Br)cn1 ZINC000862342771 732812171 /nfs/dbraw/zinc/81/21/71/732812171.db2.gz MUWLTDBJMRGJTJ-AWEZNQCLSA-N -1 3 368.300 3.178 20 10 FGCDHM O=C(NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1)c1ccsc1 ZINC000876639627 736124721 /nfs/dbraw/zinc/12/47/21/736124721.db2.gz VJUASCXMAFBOKR-UHFFFAOYSA-N -1 3 352.406 3.126 20 10 FGCDHM O=C1N[C@@H](c2c([O-])cccc2Br)Nc2cc(F)c(F)cc21 ZINC000877860305 736737077 /nfs/dbraw/zinc/73/70/77/736737077.db2.gz MISVRUJIDLTBIE-ZDUSSCGKSA-N -1 3 355.138 3.287 20 10 FGCDHM C[C@@](CO)(NCc1ccc(F)c(F)c1[O-])c1cccc(Br)c1 ZINC000898168838 742752312 /nfs/dbraw/zinc/75/23/12/742752312.db2.gz RHSVAOMIQBLWLV-INIZCTEOSA-N -1 3 372.209 3.430 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNCc2nc(CN(C)C)cs2)c1 ZINC000922488051 758935321 /nfs/dbraw/zinc/93/53/21/758935321.db2.gz BMWIJEUAPCEPFY-UHFFFAOYSA-N -1 3 370.316 3.271 20 10 FGCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)[C@@H]1OCCc2sccc21 ZINC000922597033 758958658 /nfs/dbraw/zinc/95/86/58/758958658.db2.gz MRVBGNWPTPULEF-HWPZZCPQSA-N -1 3 350.415 3.095 20 10 FGCDHM CN(CCCCC(=O)NCc1c([O-])cccc1F)C(=O)OC(C)(C)C ZINC000928710685 760242926 /nfs/dbraw/zinc/24/29/26/760242926.db2.gz VUKIIJXGLURRDP-UHFFFAOYSA-N -1 3 354.422 3.185 20 10 FGCDHM CCS(=O)(=O)Nc1ccc(NCc2c([O-])cccc2Cl)cc1OC ZINC000120885475 495478030 /nfs/dbraw/zinc/47/80/30/495478030.db2.gz MRSDZTZBKGNRCR-UHFFFAOYSA-N -1 3 370.858 3.428 20 10 FGCDHM CC(=O)N(Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1)C1CC1 ZINC000182473030 495576293 /nfs/dbraw/zinc/57/62/93/495576293.db2.gz DKDFTVBLPYDJSZ-UHFFFAOYSA-N -1 3 354.406 3.169 20 10 FGCDHM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000179413122 495581630 /nfs/dbraw/zinc/58/16/30/495581630.db2.gz QSUHJKZKGJSJMP-UHFFFAOYSA-N -1 3 356.422 3.206 20 10 FGCDHM Cc1ccc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)c([O-])c1O ZINC000183005624 495795084 /nfs/dbraw/zinc/79/50/84/495795084.db2.gz XODMAGNEFMYBMI-UHFFFAOYSA-N -1 3 369.343 3.099 20 10 FGCDHM CCO[C@@H]1C[C@H](O)C12CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])CC2 ZINC000177290500 496007627 /nfs/dbraw/zinc/00/76/27/496007627.db2.gz XPMKZJRRGOHQEY-DLBZAZTESA-N -1 3 367.873 3.000 20 10 FGCDHM Cc1ccc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c([O-])c1O ZINC000180764651 496137034 /nfs/dbraw/zinc/13/70/34/496137034.db2.gz DIGQBJZHXPPTEY-NSHDSACASA-N -1 3 369.343 3.099 20 10 FGCDHM C[S@](=O)C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000182107647 496671107 /nfs/dbraw/zinc/67/11/07/496671107.db2.gz WDYWXXBQESBHDO-SHACYNPGSA-N -1 3 368.842 3.163 20 10 FGCDHM C[C@@H](NCc1ccccc1OCCN1CCOCC1)c1ccc(F)cc1[O-] ZINC000185197616 496700749 /nfs/dbraw/zinc/70/07/49/496700749.db2.gz GVAFLCAKXVNAPB-MRXNPFEDSA-N -1 3 374.456 3.093 20 10 FGCDHM C[C@H](NCc1cccc(N2CCCC2=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273441359 496807468 /nfs/dbraw/zinc/80/74/68/496807468.db2.gz YPODJDVEHWUAOX-ZDUSSCGKSA-N -1 3 355.394 3.278 20 10 FGCDHM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000273576935 496845116 /nfs/dbraw/zinc/84/51/16/496845116.db2.gz MASZJMDIKPCOJL-NEPJUHHUSA-N -1 3 355.394 3.231 20 10 FGCDHM C[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2[O-])CC[S@]1=O ZINC000277699366 496858066 /nfs/dbraw/zinc/85/80/66/496858066.db2.gz RFJCIDVJCHXSDW-PUAOIOHZSA-N -1 3 359.491 3.314 20 10 FGCDHM C[C@H]1CCN(Cc2ccc(OCc3ccccc3)cc2[O-])CC[S@]1=O ZINC000277699377 496858536 /nfs/dbraw/zinc/85/85/36/496858536.db2.gz RFJCIDVJCHXSDW-IVCQMTBJSA-N -1 3 359.491 3.314 20 10 FGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CCCOC1CCCC1 ZINC000278084827 496999182 /nfs/dbraw/zinc/99/91/82/496999182.db2.gz YIKCHHCDKUHYGQ-UHFFFAOYSA-N -1 3 366.845 3.159 20 10 FGCDHM COCCOc1cc(C)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278614044 497168726 /nfs/dbraw/zinc/16/87/26/497168726.db2.gz FAMHVUOJCSOFCP-UHFFFAOYSA-N -1 3 362.382 3.255 20 10 FGCDHM COC(=O)[C@H](NCc1cc(Cl)cc(C)c1[O-])c1ccc(OC)c(O)c1 ZINC000276757743 497645185 /nfs/dbraw/zinc/64/51/85/497645185.db2.gz MFLNVLFHNJQYDL-MRXNPFEDSA-N -1 3 365.813 3.072 20 10 FGCDHM C[C@@H](N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000191189330 497737652 /nfs/dbraw/zinc/73/76/52/497737652.db2.gz ZZNXFWMJOSWQHT-RDTXWAMCSA-N -1 3 362.420 3.395 20 10 FGCDHM CC(C)OCCCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277144633 497755067 /nfs/dbraw/zinc/75/50/67/497755067.db2.gz AHXHUZAZSMQONT-UHFFFAOYSA-N -1 3 354.834 3.015 20 10 FGCDHM [O-]c1ccccc1CN(Cc1cnn(CC(F)F)c1)C[C@@H]1CCCO1 ZINC000294862047 498829938 /nfs/dbraw/zinc/82/99/38/498829938.db2.gz JNAALDXPEZGBJE-INIZCTEOSA-N -1 3 351.397 3.035 20 10 FGCDHM Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC000367535874 499210241 /nfs/dbraw/zinc/21/02/41/499210241.db2.gz MSMVHMQGPMDUDL-CQSZACIVSA-N -1 3 366.259 3.068 20 10 FGCDHM O=[N+]([O-])c1ccn(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)n1 ZINC000369692203 499436980 /nfs/dbraw/zinc/43/69/80/499436980.db2.gz IJDFIQFNXYERTF-UHFFFAOYSA-N -1 3 354.769 3.127 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCCOCC1 ZINC000373325404 499463553 /nfs/dbraw/zinc/46/35/53/499463553.db2.gz TZOCPQOQKDNXJC-GFCCVEGCSA-N -1 3 356.260 3.320 20 10 FGCDHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c([O-])c1O ZINC000376170079 499588698 /nfs/dbraw/zinc/58/86/98/499588698.db2.gz DRALPENKVVVTMP-KURKYZTESA-N -1 3 353.418 3.051 20 10 FGCDHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c([O-])c1O ZINC000376170081 499588702 /nfs/dbraw/zinc/58/87/02/499588702.db2.gz DRALPENKVVVTMP-SQNIBIBYSA-N -1 3 353.418 3.051 20 10 FGCDHM [O-]c1cc2c(cc1CN1CCc3cccc(C(F)(F)F)c3C1)[C@H](O)CO2 ZINC000530107813 503839108 /nfs/dbraw/zinc/83/91/08/503839108.db2.gz KGYANUULSKJQEE-QGZVFWFLSA-N -1 3 365.351 3.395 20 10 FGCDHM CCOc1ccc(N(C)CCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736644159 598864580 /nfs/dbraw/zinc/86/45/80/598864580.db2.gz FZFPGVRZPBLESG-UHFFFAOYSA-N -1 3 353.426 3.171 20 10 FGCDHM CN(Cc1ccccc1O)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736828097 598321029 /nfs/dbraw/zinc/32/10/29/598321029.db2.gz HPQVJOHJNVIOKP-UHFFFAOYSA-N -1 3 374.857 3.055 20 10 FGCDHM CN(Cc1ccccc1O)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736828097 598321031 /nfs/dbraw/zinc/32/10/31/598321031.db2.gz HPQVJOHJNVIOKP-UHFFFAOYSA-N -1 3 374.857 3.055 20 10 FGCDHM CCCN(Cc1ccccc1O)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821109326 607223610 /nfs/dbraw/zinc/22/36/10/607223610.db2.gz HRAYROOCRFAJAO-VAWYXSNFSA-N -1 3 363.421 3.024 20 10 FGCDHM CCCN(Cc1ccccc1O)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821109326 607223611 /nfs/dbraw/zinc/22/36/11/607223611.db2.gz HRAYROOCRFAJAO-VAWYXSNFSA-N -1 3 363.421 3.024 20 10 FGCDHM CCOC(=O)Nc1ccc(NCc2cccc(C)c2O)cc1-c1nnn[n-]1 ZINC000825553210 609490479 /nfs/dbraw/zinc/49/04/79/609490479.db2.gz MXSHMHUYIXIFNK-UHFFFAOYSA-N -1 3 368.397 3.061 20 10 FGCDHM CCOC(=O)Nc1ccc(NCc2cccc(C)c2O)cc1-c1nn[n-]n1 ZINC000825553210 609490481 /nfs/dbraw/zinc/49/04/81/609490481.db2.gz MXSHMHUYIXIFNK-UHFFFAOYSA-N -1 3 368.397 3.061 20 10 FGCDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000092455402 700436008 /nfs/dbraw/zinc/43/60/08/700436008.db2.gz ARNLLUZSAAXMEG-LBPRGKRZSA-N -1 3 371.275 3.254 20 10 FGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1ccccc1[N+](=O)[O-] ZINC000109779599 700536774 /nfs/dbraw/zinc/53/67/74/700536774.db2.gz GUWCMHPMCRFROI-UHFFFAOYSA-N -1 3 364.785 3.129 20 10 FGCDHM COC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)Cc1cc(Cl)ccc1[O-] ZINC000109779582 700537097 /nfs/dbraw/zinc/53/70/97/700537097.db2.gz CZKIJHNKGFREEB-UHFFFAOYSA-N -1 3 364.785 3.129 20 10 FGCDHM CCOC(=O)N(C)C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000130858867 700807024 /nfs/dbraw/zinc/80/70/24/700807024.db2.gz SAQAGDMIOAFUGP-UHFFFAOYSA-N -1 3 371.275 3.207 20 10 FGCDHM O=S(=O)([N-]c1ccc(O)cc1F)c1ccc(F)cc1C(F)(F)F ZINC000184621866 712673943 /nfs/dbraw/zinc/67/39/43/712673943.db2.gz OYLJKDNIKOEHHQ-UHFFFAOYSA-N -1 3 353.268 3.490 20 10 FGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000743259673 722565275 /nfs/dbraw/zinc/56/52/75/722565275.db2.gz JUJATZKSRARBHJ-UHFFFAOYSA-N -1 3 362.451 3.486 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCCc3c(C(N)=O)cccc32)c1[O-] ZINC000750036143 722752391 /nfs/dbraw/zinc/75/23/91/722752391.db2.gz LVXDDPCFZTZHNB-UHFFFAOYSA-N -1 3 358.825 3.300 20 10 FGCDHM COC(=O)CN(Cc1ccc(F)cc1F)Cc1cc(Cl)ccc1[O-] ZINC000753845351 722915777 /nfs/dbraw/zinc/91/57/77/722915777.db2.gz PDYMKEOEPLNGOP-UHFFFAOYSA-N -1 3 355.768 3.499 20 10 FGCDHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc(O)c3O)nc(=O)c2c1C ZINC000758563918 722991777 /nfs/dbraw/zinc/99/17/77/722991777.db2.gz YRMDGZPHBJTFPR-QMMMGPOBSA-N -1 3 360.391 3.343 20 10 FGCDHM Cn1ccnc1[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Cl)cc1 ZINC000790511220 723147250 /nfs/dbraw/zinc/14/72/50/723147250.db2.gz AOVRXRHRNBTYRQ-HNNXBMFYSA-N -1 3 357.797 3.004 20 10 FGCDHM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cccc(O)c1[O-] ZINC000790890218 723190343 /nfs/dbraw/zinc/19/03/43/723190343.db2.gz ICWCVBWQODCCBF-VIFPVBQESA-N -1 3 368.202 3.360 20 10 FGCDHM COC(=O)C[C@](C)(NCc1c([O-])ccc(Cl)c1F)c1ccncc1 ZINC000792173790 723318076 /nfs/dbraw/zinc/31/80/76/723318076.db2.gz CNPSKORYTJRZDE-KRWDZBQOSA-N -1 3 352.793 3.148 20 10 FGCDHM [O-]c1c(Br)cccc1CNc1ccncc1Br ZINC000792688777 723356899 /nfs/dbraw/zinc/35/68/99/723356899.db2.gz IFVBHMHSSQKASZ-UHFFFAOYSA-N -1 3 358.033 3.346 20 10 FGCDHM CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000769325888 723682488 /nfs/dbraw/zinc/68/24/88/723682488.db2.gz CIUROAYEWDSZMP-ZDUSSCGKSA-N -1 3 356.260 3.461 20 10 FGCDHM COc1c([O-])c(CNc2cncc(Br)c2)ccc1[N+](=O)[O-] ZINC000775041855 723955165 /nfs/dbraw/zinc/95/51/65/723955165.db2.gz VONJSRXVQXYDMS-UHFFFAOYSA-N -1 3 354.160 3.079 20 10 FGCDHM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cccc(O)c1[O-] ZINC000776336810 724133829 /nfs/dbraw/zinc/13/38/29/724133829.db2.gz OJWQARSDGRNVMZ-SNVBAGLBSA-N -1 3 350.212 3.221 20 10 FGCDHM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(C)cc(Br)c1[O-] ZINC000786580084 724989819 /nfs/dbraw/zinc/98/98/19/724989819.db2.gz XKIYUGJCAYNHKR-ZLDLUXBVSA-N -1 3 368.271 3.237 20 10 FGCDHM NC(=O)c1ccc(OCC(F)F)c(NCc2c([O-])cccc2Cl)c1 ZINC000810181203 725295079 /nfs/dbraw/zinc/29/50/79/725295079.db2.gz WTRJAARDBXCBFL-UHFFFAOYSA-N -1 3 356.756 3.401 20 10 FGCDHM COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1c(F)ccc([O-])c1F ZINC000816507192 727169338 /nfs/dbraw/zinc/16/93/38/727169338.db2.gz YRSOKXHDZPDNAW-UHFFFAOYSA-N -1 3 371.767 3.205 20 10 FGCDHM CCC(CC)(C[NH2+]Cc1cc(Br)cc(OC)c1[O-])C(=O)[O-] ZINC000818629921 727318132 /nfs/dbraw/zinc/31/81/32/727318132.db2.gz BGZHCZJIFDOMKN-UHFFFAOYSA-N -1 3 360.248 3.144 20 10 FGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1ccnc(Cl)c1F ZINC000823442181 729281040 /nfs/dbraw/zinc/28/10/40/729281040.db2.gz DZCYRUZFULYYNK-UHFFFAOYSA-N -1 3 373.211 3.408 20 10 FGCDHM CCCN(Cc1ccccc1O)c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825323586 729378688 /nfs/dbraw/zinc/37/86/88/729378688.db2.gz ZBQBUUICHMIWGQ-UHFFFAOYSA-N -1 3 358.833 3.346 20 10 FGCDHM CCCN(Cc1ccccc1O)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000825323586 729378690 /nfs/dbraw/zinc/37/86/90/729378690.db2.gz ZBQBUUICHMIWGQ-UHFFFAOYSA-N -1 3 358.833 3.346 20 10 FGCDHM COC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])[C@@H]1CCC[C@H](OC)C1 ZINC000826143421 729405955 /nfs/dbraw/zinc/40/59/55/729405955.db2.gz ZDMRFWXPTFIFGE-HACGYAERSA-N -1 3 355.862 3.190 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCOc2ccc(O)cc2C1 ZINC000827658396 729432960 /nfs/dbraw/zinc/43/29/60/729432960.db2.gz WVMDVLSRPKUFSM-UHFFFAOYSA-N -1 3 350.212 3.255 20 10 FGCDHM C[C@@H](NCc1nnc(C2CC2)[nH]1)c1cc(Br)cc(F)c1[O-] ZINC000834869369 729839841 /nfs/dbraw/zinc/83/98/41/729839841.db2.gz AGDLZSUSMHNESS-SSDOTTSWSA-N -1 3 355.211 3.140 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000837271920 730013222 /nfs/dbraw/zinc/01/32/22/730013222.db2.gz VGBBTKFXOJRCOR-CYBMUJFWSA-N -1 3 363.211 3.233 20 10 FGCDHM C[C@@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1ccc(Cl)cc1[O-] ZINC000841755282 730271077 /nfs/dbraw/zinc/27/10/77/730271077.db2.gz YTWXTSCSTCYUIR-GFCCVEGCSA-N -1 3 362.861 3.474 20 10 FGCDHM COc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000847590735 731068467 /nfs/dbraw/zinc/06/84/67/731068467.db2.gz FXNAMJSOKIQKMO-CQSZACIVSA-N -1 3 364.829 3.042 20 10 FGCDHM C[C@@](CO)(NCc1cc(Cl)cc(F)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC000877692224 736706481 /nfs/dbraw/zinc/70/64/81/736706481.db2.gz WEDGPXKYRWTNAB-INIZCTEOSA-N -1 3 354.765 3.090 20 10 FGCDHM COC(=O)CN(Cc1nc2c(o1)CCCC2)Cc1cc(Cl)ccc1[O-] ZINC000878243292 736793736 /nfs/dbraw/zinc/79/37/36/736793736.db2.gz YYVDYFMPUVVGIN-UHFFFAOYSA-N -1 3 364.829 3.088 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H](C)CCOC ZINC000073978725 494460385 /nfs/dbraw/zinc/46/03/85/494460385.db2.gz MOEWVGFBDPAIJT-NSHDSACASA-N -1 3 359.264 3.111 20 10 FGCDHM Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092011284 494754758 /nfs/dbraw/zinc/75/47/58/494754758.db2.gz NNHDSWIZOQAQBG-ZBEGNZNMSA-N -1 3 370.280 3.378 20 10 FGCDHM CCN(Cc1cnc2cnccn12)Cc1cc(Br)ccc1[O-] ZINC000093866942 494928632 /nfs/dbraw/zinc/92/86/32/494928632.db2.gz NSMNWROGTOAAKV-UHFFFAOYSA-N -1 3 361.243 3.220 20 10 FGCDHM COc1ccc(CN(C)C(=O)[C@H](C)N(C)Cc2ccccc2[O-])cc1F ZINC000111235660 495053363 /nfs/dbraw/zinc/05/33/63/495053363.db2.gz WIVWWBWFJVHLCJ-AWEZNQCLSA-N -1 3 360.429 3.019 20 10 FGCDHM C[S@](=O)C[C@@H](NCc1cc(Br)ccc1[O-])c1ccccc1 ZINC000154743748 495715317 /nfs/dbraw/zinc/71/53/17/495715317.db2.gz ZSPAUNOBAKDJFT-QVKFZJNVSA-N -1 3 368.296 3.364 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC(NC(=O)c3ccccc3)CC2)c1[O-] ZINC000177241380 495991136 /nfs/dbraw/zinc/99/11/36/495991136.db2.gz RJPCNXYOKCUVNO-UHFFFAOYSA-N -1 3 370.424 3.128 20 10 FGCDHM COc1ccc2c(c1)nc(CNCc1cc(Cl)cc(OC)c1[O-])n2C ZINC000186555348 496042827 /nfs/dbraw/zinc/04/28/27/496042827.db2.gz SDTJDFGRMPWZTM-UHFFFAOYSA-N -1 3 361.829 3.239 20 10 FGCDHM Cc1ccc(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c([O-])c1O ZINC000180764667 496137408 /nfs/dbraw/zinc/13/74/08/496137408.db2.gz DIGQBJZHXPPTEY-LLVKDONJSA-N -1 3 369.343 3.099 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2csc([C@@H](C)OC)n2)c1 ZINC000273568824 496842655 /nfs/dbraw/zinc/84/26/55/496842655.db2.gz KGPYFMZFHOUMFY-WDEREUQCSA-N -1 3 350.440 3.194 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CCOC[C@H]1C ZINC000277805552 496894484 /nfs/dbraw/zinc/89/44/84/496894484.db2.gz VXTAASAKOIXPET-BXUZGUMPSA-N -1 3 371.275 3.111 20 10 FGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O ZINC000189430473 497116347 /nfs/dbraw/zinc/11/63/47/497116347.db2.gz YGFSEZRLWGRUDL-LBPRGKRZSA-N -1 3 374.462 3.053 20 10 FGCDHM COc1c([O-])c(CNc2ccc(C)c(C(=O)NC(C)C)c2)ccc1[N+](=O)[O-] ZINC000278905824 497262942 /nfs/dbraw/zinc/26/29/42/497262942.db2.gz RRTNZIXPVNIUIU-UHFFFAOYSA-N -1 3 373.409 3.368 20 10 FGCDHM O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000192989155 497268453 /nfs/dbraw/zinc/26/84/53/497268453.db2.gz ZOSGMWVYVQYSSY-UHFFFAOYSA-N -1 3 359.809 3.486 20 10 FGCDHM Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4cccc(O)c4[O-])C3)nc2c1 ZINC000192998684 497270019 /nfs/dbraw/zinc/27/00/19/497270019.db2.gz QETDZKZJWLRCIB-ZDUSSCGKSA-N -1 3 351.406 3.302 20 10 FGCDHM Cc1ccc2nc([C@H]3CCCN(C(=O)c4cccc(O)c4[O-])C3)[nH]c2c1 ZINC000192998684 497270023 /nfs/dbraw/zinc/27/00/23/497270023.db2.gz QETDZKZJWLRCIB-ZDUSSCGKSA-N -1 3 351.406 3.302 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCO[C@H](C)C1 ZINC000271914528 497487228 /nfs/dbraw/zinc/48/72/28/497487228.db2.gz ASDVPTBXTPFPBM-NEPJUHHUSA-N -1 3 356.260 3.318 20 10 FGCDHM Cc1ccc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)c([O-])c1O ZINC000272723191 497713338 /nfs/dbraw/zinc/71/33/38/497713338.db2.gz FRSSCCLUBWPALL-UHFFFAOYSA-N -1 3 355.394 3.286 20 10 FGCDHM O=C(C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1)N1CCCCC1 ZINC000191183206 497736988 /nfs/dbraw/zinc/73/69/88/497736988.db2.gz LBIVHYGMBWYBBO-UHFFFAOYSA-N -1 3 354.853 3.409 20 10 FGCDHM CS[C@H]1CCC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C1 ZINC000277279894 497793945 /nfs/dbraw/zinc/79/39/45/497793945.db2.gz JXFZFWKDNSRWIU-KBPBESRZSA-N -1 3 368.886 3.484 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@](O)(C(F)(F)F)CC2)c1[O-] ZINC000289199452 498056633 /nfs/dbraw/zinc/05/66/33/498056633.db2.gz BFQSSPZQJBZLKH-CYBMUJFWSA-N -1 3 368.739 3.233 20 10 FGCDHM C[C@H](NCC1(S(C)(=O)=O)CCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000281272253 498084315 /nfs/dbraw/zinc/08/43/15/498084315.db2.gz XAJTWYNPHHNICS-VIFPVBQESA-N -1 3 352.283 3.317 20 10 FGCDHM COc1ccc(CS(C)(=O)=O)cc1NCc1c([O-])cccc1Cl ZINC000285475845 498098688 /nfs/dbraw/zinc/09/86/88/498098688.db2.gz KWHKUHSFCASUIY-UHFFFAOYSA-N -1 3 355.843 3.211 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289537473 498185744 /nfs/dbraw/zinc/18/57/44/498185744.db2.gz HWFHLDWBBQUBLP-ZDUSSCGKSA-N -1 3 368.193 3.434 20 10 FGCDHM CC[C@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(F)cc1[O-] ZINC000286207695 498324857 /nfs/dbraw/zinc/32/48/57/498324857.db2.gz RXAYTPAJVFCWCC-IBGZPJMESA-N -1 3 372.440 3.245 20 10 FGCDHM COCc1cccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)c1 ZINC000290427692 498548800 /nfs/dbraw/zinc/54/88/00/498548800.db2.gz AJKMAXAPOBESSV-UHFFFAOYSA-N -1 3 365.451 3.264 20 10 FGCDHM CCCOc1ccc(CN2CCOC[C@H]2c2nnc(C(C)C)o2)c([O-])c1 ZINC000282847753 498679020 /nfs/dbraw/zinc/67/90/20/498679020.db2.gz DFRUZASZGAYIJL-INIZCTEOSA-N -1 3 361.442 3.261 20 10 FGCDHM COc1ccc([C@H](CN(C)C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000284498892 499116808 /nfs/dbraw/zinc/11/68/08/499116808.db2.gz XMRLUZIYCVWMMI-ACJLOTCBSA-N -1 3 359.426 3.263 20 10 FGCDHM CS(=O)(=O)c1ccc2c(c1)CCN(Cc1cc(Cl)ccc1[O-])CC2 ZINC000367174050 499157282 /nfs/dbraw/zinc/15/72/82/499157282.db2.gz OMSPBROQKVQRFX-UHFFFAOYSA-N -1 3 365.882 3.050 20 10 FGCDHM O=C(c1cccc([O-])c1)N1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000373231285 499458968 /nfs/dbraw/zinc/45/89/68/499458968.db2.gz SDVZNSNDNDPVLE-UHFFFAOYSA-N -1 3 360.841 3.146 20 10 FGCDHM COc1cc(Cl)cc(CN2CC[C@H](OCc3c(C)noc3C)C2)c1[O-] ZINC000377680322 499718997 /nfs/dbraw/zinc/71/89/97/499718997.db2.gz UWPULVGATVUKMV-HNNXBMFYSA-N -1 3 366.845 3.450 20 10 FGCDHM COCCc1noc(CC2CCN(Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000529639441 504750353 /nfs/dbraw/zinc/75/03/53/504750353.db2.gz CBUSCJNGMWDENS-UHFFFAOYSA-N -1 3 365.861 3.072 20 10 FGCDHM COc1cc(Br)cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)c1[O-] ZINC000818556168 597136463 /nfs/dbraw/zinc/13/64/63/597136463.db2.gz VGJSHQDTWOMFBN-UHFFFAOYSA-N -1 3 366.211 3.151 20 10 FGCDHM CC[C@@H]1CN2CCCC[C@@H]2CN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000829163601 601254020 /nfs/dbraw/zinc/25/40/20/601254020.db2.gz YHEBJTYYRRRMLD-JDFMTEHDSA-N -1 3 359.426 3.146 20 10 FGCDHM Cc1cc(C(=O)N2CC(C(C)C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257772 607808859 /nfs/dbraw/zinc/80/88/59/607808859.db2.gz OTGCFIGRBAKINF-UHFFFAOYSA-N -1 3 364.453 3.002 20 10 FGCDHM Brc1cc(-c2nnn[n-]2)ccc1CSc1nccs1 ZINC000823820414 609310484 /nfs/dbraw/zinc/31/04/84/609310484.db2.gz FKSGQXXZQGLCOF-UHFFFAOYSA-N -1 3 354.258 3.378 20 10 FGCDHM Brc1cc(-c2nn[n-]n2)ccc1CSc1nccs1 ZINC000823820414 609310485 /nfs/dbraw/zinc/31/04/85/609310485.db2.gz FKSGQXXZQGLCOF-UHFFFAOYSA-N -1 3 354.258 3.378 20 10 FGCDHM COC(=O)CN(Cc1cccc([N+](=O)[O-])c1)Cc1cc(Cl)ccc1[O-] ZINC000109779763 700536825 /nfs/dbraw/zinc/53/68/25/700536825.db2.gz FUKMMPXJTNIYOY-UHFFFAOYSA-N -1 3 364.785 3.129 20 10 FGCDHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000122480687 700690582 /nfs/dbraw/zinc/69/05/82/700690582.db2.gz CCRXFRJGUKXZML-OLZOCXBDSA-N -1 3 363.479 3.025 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCN(c2ccccc2O)CC1 ZINC000158516826 705188919 /nfs/dbraw/zinc/18/89/19/705188919.db2.gz TZIKEOAQYVMEOI-UHFFFAOYSA-N -1 3 363.255 3.183 20 10 FGCDHM CCN(CC(=O)Nc1nccs1)Cc1cc(Br)ccc1[O-] ZINC000173992995 705481863 /nfs/dbraw/zinc/48/18/63/705481863.db2.gz OTMDEBPGTWENCC-UHFFFAOYSA-N -1 3 370.272 3.072 20 10 FGCDHM CC(=O)c1cc(F)cc(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000177283231 705616066 /nfs/dbraw/zinc/61/60/66/705616066.db2.gz YCXUKNZRMSUVFB-LLVKDONJSA-N -1 3 354.422 3.079 20 10 FGCDHM CCc1oc(CNCc2cccc(Br)c2[O-])cc1C(=O)OC ZINC000802651466 724397525 /nfs/dbraw/zinc/39/75/25/724397525.db2.gz XQSUSLZTHVKDLL-UHFFFAOYSA-N -1 3 368.227 3.387 20 10 FGCDHM O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(Br)cc1[O-] ZINC000779499653 724416368 /nfs/dbraw/zinc/41/63/68/724416368.db2.gz VTQVXSWSICDYIA-QHHAFSJGSA-N -1 3 350.168 3.218 20 10 FGCDHM CCOc1nnc(CN(CC)Cc2cc(Br)ccc2[O-])s1 ZINC000743870802 722572148 /nfs/dbraw/zinc/57/21/48/722572148.db2.gz BNVLQCZBVFWUBK-UHFFFAOYSA-N -1 3 372.288 3.427 20 10 FGCDHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Br)cn1 ZINC000793334817 723426193 /nfs/dbraw/zinc/42/61/93/723426193.db2.gz SDAITDMTTIFEMZ-VIFPVBQESA-N -1 3 352.188 3.309 20 10 FGCDHM Cc1cc(Br)ccc1CN(C)C(=O)c1cccc(O)c1[O-] ZINC000765634537 723529197 /nfs/dbraw/zinc/52/91/97/723529197.db2.gz LIBXFADZKBBXIV-UHFFFAOYSA-N -1 3 350.212 3.441 20 10 FGCDHM Cc1ccc(CC(=O)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000769301031 723681832 /nfs/dbraw/zinc/68/18/32/723681832.db2.gz DWZBSAJUSFZMJD-UHFFFAOYSA-N -1 3 358.869 3.241 20 10 FGCDHM CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000770486911 723714936 /nfs/dbraw/zinc/71/49/36/723714936.db2.gz XALYKLLKYWYBLE-UHFFFAOYSA-N -1 3 362.813 3.452 20 10 FGCDHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000773083877 723776286 /nfs/dbraw/zinc/77/62/86/723776286.db2.gz KDWBUYZZHVHGMW-GFCCVEGCSA-N -1 3 354.422 3.379 20 10 FGCDHM COc1c([O-])c(CNCc2csc(-c3ccco3)n2)ccc1[N+](=O)[O-] ZINC000775038567 723955235 /nfs/dbraw/zinc/95/52/35/723955235.db2.gz WFVBAINQQRTRBN-UHFFFAOYSA-N -1 3 361.379 3.315 20 10 FGCDHM Cc1c(NCc2c([O-])cccc2Cl)cccc1N1C(=O)N[C@@H](C)C1=O ZINC000808445885 725201654 /nfs/dbraw/zinc/20/16/54/725201654.db2.gz CUBDISHGUIYTOF-NSHDSACASA-N -1 3 359.813 3.411 20 10 FGCDHM O=C(C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1)N1CCCCC1 ZINC000816481572 727166813 /nfs/dbraw/zinc/16/68/13/727166813.db2.gz BANBVAIYDSHPNQ-UHFFFAOYSA-N -1 3 354.853 3.409 20 10 FGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCCN(Cc2cscn2)CC1 ZINC000816502439 727168858 /nfs/dbraw/zinc/16/88/58/727168858.db2.gz AXJCXPADPVUAJB-UHFFFAOYSA-N -1 3 355.866 3.349 20 10 FGCDHM Cc1nc(CN2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)cs1 ZINC000824541700 729346200 /nfs/dbraw/zinc/34/62/00/729346200.db2.gz HASLKIZEAYKYJO-UHFFFAOYSA-N -1 3 351.903 3.437 20 10 FGCDHM C[C@@H]1C[C@]2(CCO1)CN(Cc1ccc(Br)cc1[O-])C[C@H](C)O2 ZINC000825754080 729394137 /nfs/dbraw/zinc/39/41/37/729394137.db2.gz ZJWAQNJHHMZRMS-IIYDPXPESA-N -1 3 370.287 3.313 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCN(c2cccc(F)n2)CC1 ZINC000826061939 729403964 /nfs/dbraw/zinc/40/39/64/729403964.db2.gz GUVIGRCPZIBIPU-UHFFFAOYSA-N -1 3 366.234 3.011 20 10 FGCDHM COC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])[C@H]1CCC[C@H](OC)C1 ZINC000826143422 729405924 /nfs/dbraw/zinc/40/59/24/729405924.db2.gz ZDMRFWXPTFIFGE-RVSPLBMKSA-N -1 3 355.862 3.190 20 10 FGCDHM C[C@@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc(Cl)cc1[O-] ZINC000841757372 730271320 /nfs/dbraw/zinc/27/13/20/730271320.db2.gz NTIHXKSSKYTWFO-CYBMUJFWSA-N -1 3 359.857 3.151 20 10 FGCDHM COc1ccnc(CNCc2cc(C)cc(Br)c2[O-])c1F ZINC000850380924 731350647 /nfs/dbraw/zinc/35/06/47/731350647.db2.gz QQKOFRJUQLPZAJ-UHFFFAOYSA-N -1 3 355.207 3.296 20 10 FGCDHM COc1ccc(N2CCN(C(=O)c3cc(SC)ccc3[O-])CC2)cc1 ZINC000854198726 731803598 /nfs/dbraw/zinc/80/35/98/731803598.db2.gz PXZCHMNPWGVQCD-UHFFFAOYSA-N -1 3 358.463 3.085 20 10 FGCDHM COC(=O)c1cnc([C@H](C)NCc2c([O-])cccc2Br)s1 ZINC000858182776 732189955 /nfs/dbraw/zinc/18/99/55/732189955.db2.gz HNPKZSCVZLQXFP-QMMMGPOBSA-N -1 3 371.256 3.249 20 10 FGCDHM Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)[N-]OCC(F)(F)F)cc1 ZINC000860201211 732467837 /nfs/dbraw/zinc/46/78/37/732467837.db2.gz ITSVCNPGZWKNCV-UHFFFAOYSA-N -1 3 354.328 3.059 20 10 FGCDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000862216631 732787575 /nfs/dbraw/zinc/78/75/75/732787575.db2.gz OZOUQBXNURTXET-LLVKDONJSA-N -1 3 371.275 3.254 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CC[C@@H](OCc2ccccn2)C1 ZINC000877645432 736699244 /nfs/dbraw/zinc/69/92/44/736699244.db2.gz KWPIRIVQZCNVCK-OAHLLOKOSA-N -1 3 363.255 3.341 20 10 FGCDHM CC(C)(C)OC(=O)Nc1ccc(CNCc2cccc(Cl)c2[O-])nn1 ZINC000898214745 742759364 /nfs/dbraw/zinc/75/93/64/742759364.db2.gz GPTSUFQLJSBGKN-UHFFFAOYSA-N -1 3 364.833 3.472 20 10 FGCDHM CN(C)c1ccnc(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000924667923 759370204 /nfs/dbraw/zinc/37/02/04/759370204.db2.gz AIKKHIWGTIDBNI-UHFFFAOYSA-N -1 3 369.252 3.159 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cc1ccc(C)nc1 ZINC000075417127 494759484 /nfs/dbraw/zinc/75/94/84/494759484.db2.gz JXWGUFAALSNKJC-UHFFFAOYSA-N -1 3 363.255 3.449 20 10 FGCDHM NC(=O)[C@@H]1CCCN1Cc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000120083229 495303741 /nfs/dbraw/zinc/30/37/41/495303741.db2.gz ROSYIFFBHJBROT-KRWDZBQOSA-N -1 3 359.857 3.107 20 10 FGCDHM C[C@@H](N[C@H](C)c1ccc(F)c(F)c1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000187669504 496528456 /nfs/dbraw/zinc/52/84/56/496528456.db2.gz CMZGIOSNYOPRGN-GHMZBOCLSA-N -1 3 355.406 3.486 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc3c(c2)OCCCO3)c1 ZINC000273600712 496851255 /nfs/dbraw/zinc/85/12/55/496851255.db2.gz RYFFPMSBBZYHSN-CYBMUJFWSA-N -1 3 357.406 3.191 20 10 FGCDHM COc1c([O-])c(CNc2cccc(OC[C@@H]3CCCO3)c2)ccc1[N+](=O)[O-] ZINC000278835693 497237469 /nfs/dbraw/zinc/23/74/69/497237469.db2.gz JDZHIBXCNWZMSR-INIZCTEOSA-N -1 3 374.393 3.479 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000271914530 497487270 /nfs/dbraw/zinc/48/72/70/497487270.db2.gz ASDVPTBXTPFPBM-NWDGAFQWSA-N -1 3 356.260 3.318 20 10 FGCDHM C[C@@H](c1ccccc1)N(Cc1ccccc1[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000279771309 497535768 /nfs/dbraw/zinc/53/57/68/497535768.db2.gz STWYPQQKIFIMCW-IRXDYDNUSA-N -1 3 359.491 3.390 20 10 FGCDHM C[C@H](c1ccccc1)N(Cc1ccccc1[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000279771303 497536630 /nfs/dbraw/zinc/53/66/30/497536630.db2.gz STWYPQQKIFIMCW-IAGOWNOFSA-N -1 3 359.491 3.390 20 10 FGCDHM CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(Br)cc(C)c3[O-])[C@@H]2C1 ZINC000245945444 497580944 /nfs/dbraw/zinc/58/09/44/497580944.db2.gz VMUWOHAMHYOTQF-OAGGEKHMSA-N -1 3 370.287 3.231 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC3(C[C@H]3c3nnc(C)o3)CC2)c1[O-] ZINC000364204769 497839804 /nfs/dbraw/zinc/83/98/04/497839804.db2.gz DKCJTXOLQQNBNK-INIZCTEOSA-N -1 3 359.401 3.195 20 10 FGCDHM COc1cc(Cl)cc(CN2CCCN(C(=O)C(C)(C)C)CC2)c1[O-] ZINC000360331654 498265544 /nfs/dbraw/zinc/26/55/44/498265544.db2.gz AGFUGGAHEJWUSK-UHFFFAOYSA-N -1 3 354.878 3.135 20 10 FGCDHM CC(C)OCc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1O ZINC000290567129 498600408 /nfs/dbraw/zinc/60/04/08/498600408.db2.gz SSKIQENALQVPMH-UHFFFAOYSA-N -1 3 363.435 3.053 20 10 FGCDHM COc1c([O-])c(CNc2cccc(-c3nnc(C)n3C)c2)ccc1[N+](=O)[O-] ZINC000365804932 498648647 /nfs/dbraw/zinc/64/86/47/498648647.db2.gz HUYLXQCACXDELO-UHFFFAOYSA-N -1 3 369.381 3.025 20 10 FGCDHM [O-]c1ccc2ccccc2c1CN1CCn2c(CC(F)(F)F)nnc2C1 ZINC000365829001 498658445 /nfs/dbraw/zinc/65/84/45/498658445.db2.gz HJDRIKHNZXQRJH-UHFFFAOYSA-N -1 3 362.355 3.258 20 10 FGCDHM COc1ccc(CS(C)(=O)=O)cc1N[C@@H](C)c1ccc(F)cc1[O-] ZINC000287649320 498825333 /nfs/dbraw/zinc/82/53/33/498825333.db2.gz UWFDVACMKUKPSC-NSHDSACASA-N -1 3 353.415 3.258 20 10 FGCDHM CC[C@@H](NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccccc1[O-] ZINC000372337637 499422174 /nfs/dbraw/zinc/42/21/74/499422174.db2.gz NRWBSHCOGSVUHI-WCQYABFASA-N -1 3 354.376 3.349 20 10 FGCDHM COc1cc(Br)cc(CN2CCC[C@H]2c2ncc[nH]2)c1[O-] ZINC000375354998 499510133 /nfs/dbraw/zinc/51/01/33/499510133.db2.gz VIQKRXMMYLUJHT-LBPRGKRZSA-N -1 3 352.232 3.224 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2[C@H]2CCCN2C(C)=O)c1[O-] ZINC000375875066 499564048 /nfs/dbraw/zinc/56/40/48/499564048.db2.gz SDNRDADAFCXFJA-QZTJIDSGSA-N -1 3 364.873 3.224 20 10 FGCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@H]1CCCc2cn[nH]c21 ZINC000376948419 499648420 /nfs/dbraw/zinc/64/84/20/499648420.db2.gz PFDXMODKAJCXJE-LBPRGKRZSA-N -1 3 355.225 3.299 20 10 FGCDHM Cc1cc(C(=O)NCc2ccc3cccnc3c2[O-])c(C)n1[C@@H]1CCOC1 ZINC000529503022 504702323 /nfs/dbraw/zinc/70/23/23/504702323.db2.gz RHOMUYLEPBPWEN-QGZVFWFLSA-N -1 3 365.433 3.250 20 10 FGCDHM COc1cc(Br)cc(CN2CC(Cc3ccco3)C2)c1[O-] ZINC000529649262 504752999 /nfs/dbraw/zinc/75/29/99/504752999.db2.gz PGPCUQSTXRQXPX-UHFFFAOYSA-N -1 3 352.228 3.431 20 10 FGCDHM CCCN(Cc1ccccc1O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821110261 599266515 /nfs/dbraw/zinc/26/65/15/599266515.db2.gz YTLGJUJAZIMMBT-UHFFFAOYSA-N -1 3 366.425 3.325 20 10 FGCDHM CCCN(Cc1ccccc1O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821110261 599266517 /nfs/dbraw/zinc/26/65/17/599266517.db2.gz YTLGJUJAZIMMBT-UHFFFAOYSA-N -1 3 366.425 3.325 20 10 FGCDHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000820147848 598191954 /nfs/dbraw/zinc/19/19/54/598191954.db2.gz IOCMIALZJHTTAP-CQSZACIVSA-N -1 3 358.413 3.211 20 10 FGCDHM CCC(C)(C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736314076 598610113 /nfs/dbraw/zinc/61/01/13/598610113.db2.gz KYOABVBAAKGWCY-UHFFFAOYSA-N -1 3 352.442 3.193 20 10 FGCDHM CC(C)N1CCN(c2cccc(NC(=O)c3cccc(C(=O)[O-])c3)c2)CC1 ZINC000833498311 604470654 /nfs/dbraw/zinc/47/06/54/604470654.db2.gz FACZZPJWHFJHER-UHFFFAOYSA-N -1 3 367.449 3.168 20 10 FGCDHM COc1ccc(N(CC(C)C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821827478 606923086 /nfs/dbraw/zinc/92/30/86/606923086.db2.gz CJAJXMDVSOGICV-LJQANCHMSA-N -1 3 367.453 3.071 20 10 FGCDHM COc1ccc(N(CC(C)C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821827478 606923088 /nfs/dbraw/zinc/92/30/88/606923088.db2.gz CJAJXMDVSOGICV-LJQANCHMSA-N -1 3 367.453 3.071 20 10 FGCDHM c1csc(SCCCNc2nc3c(cc2-c2nnn[n-]2)CCCC3)n1 ZINC000826526592 608289227 /nfs/dbraw/zinc/28/92/27/608289227.db2.gz DVCPEGUGVXJDAU-UHFFFAOYSA-N -1 3 373.511 3.191 20 10 FGCDHM c1csc(SCCCNc2nc3c(cc2-c2nn[n-]n2)CCCC3)n1 ZINC000826526592 608289232 /nfs/dbraw/zinc/28/92/32/608289232.db2.gz DVCPEGUGVXJDAU-UHFFFAOYSA-N -1 3 373.511 3.191 20 10 FGCDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c(C)c1 ZINC000041374254 695761558 /nfs/dbraw/zinc/76/15/58/695761558.db2.gz HITWFOAYALBMLM-UHFFFAOYSA-N -1 3 360.479 3.249 20 10 FGCDHM [O-]c1cccc(Cl)c1CN1CCN(c2ncnc3sccc32)CC1 ZINC000125652491 700738074 /nfs/dbraw/zinc/73/80/74/700738074.db2.gz PNSNVWCBUKMXKS-UHFFFAOYSA-N -1 3 360.870 3.373 20 10 FGCDHM O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000186830156 712726816 /nfs/dbraw/zinc/72/68/16/712726816.db2.gz BSEIOVKWOSXFSN-UHFFFAOYSA-N -1 3 355.312 3.107 20 10 FGCDHM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(C(=O)OC)ccc1[O-] ZINC000726797019 722438089 /nfs/dbraw/zinc/43/80/89/722438089.db2.gz TYHRCEYRKHZDIE-MRXNPFEDSA-N -1 3 360.797 3.419 20 10 FGCDHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000736289341 722522576 /nfs/dbraw/zinc/52/25/76/722522576.db2.gz PHYQMBBEJFIKHJ-CHWSQXEVSA-N -1 3 359.447 3.299 20 10 FGCDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2F)c1Br ZINC000758168744 722985402 /nfs/dbraw/zinc/98/54/02/722985402.db2.gz FGYPXLFFXRUAQK-UHFFFAOYSA-N -1 3 360.204 3.403 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000790568383 723153841 /nfs/dbraw/zinc/15/38/41/723153841.db2.gz NCYNIQBZNSSPKI-HTQZYQBOSA-N -1 3 357.250 3.301 20 10 FGCDHM COc1cc(NC(=O)c2cccc(O)c2[O-])cc(OC)c1Br ZINC000790916808 723192779 /nfs/dbraw/zinc/19/27/79/723192779.db2.gz UOQRHLUMENFGTJ-UHFFFAOYSA-N -1 3 368.183 3.130 20 10 FGCDHM NC(=O)[C@H](NCc1cc(Cl)ccc1[O-])c1cccc(Br)c1 ZINC000793267058 723418695 /nfs/dbraw/zinc/41/86/95/723418695.db2.gz SBUYRLBSIHNSCY-CQSZACIVSA-N -1 3 369.646 3.124 20 10 FGCDHM C[C@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000824870100 729363029 /nfs/dbraw/zinc/36/30/29/729363029.db2.gz NKKICRMREVPQNF-UFBFGSQYSA-N -1 3 354.166 3.306 20 10 FGCDHM Cc1ccc(Cc2nnc(NC(=O)c3ccc(C)c(O)c3[O-])s2)cc1 ZINC000770489275 723715043 /nfs/dbraw/zinc/71/50/43/723715043.db2.gz SITUBSOXLVZUIQ-UHFFFAOYSA-N -1 3 355.419 3.409 20 10 FGCDHM COC(=O)CN(Cc1nc2c(s1)CCC2)Cc1cc(Cl)ccc1[O-] ZINC000775686550 724024648 /nfs/dbraw/zinc/02/46/48/724024648.db2.gz KDHGCTVFBQTMAL-UHFFFAOYSA-N -1 3 366.870 3.166 20 10 FGCDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)nc1 ZINC000775710869 724029133 /nfs/dbraw/zinc/02/91/33/724029133.db2.gz NTXOUGGOCJDIIQ-LBPRGKRZSA-N -1 3 366.780 3.174 20 10 FGCDHM COc1ccc(OCCCS(=O)(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000776749036 724179256 /nfs/dbraw/zinc/17/92/56/724179256.db2.gz VCJNNNIVJKBTRE-UHFFFAOYSA-N -1 3 371.842 3.265 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000777440122 724225928 /nfs/dbraw/zinc/22/59/28/724225928.db2.gz UPEFHWSWVJENPP-QGZVFWFLSA-N -1 3 366.776 3.186 20 10 FGCDHM Cc1cc([O-])c(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000824933560 729365594 /nfs/dbraw/zinc/36/55/94/729365594.db2.gz HDMZRBDJVFOJOS-YOEHRIQHSA-N -1 3 351.830 3.272 20 10 FGCDHM Cc1cc([O-])c(CN2CCN(C(=O)c3cccc(O)c3)CC2)c(Cl)c1 ZINC000840916825 730191050 /nfs/dbraw/zinc/19/10/50/730191050.db2.gz XXRYVIWFWBAORX-UHFFFAOYSA-N -1 3 360.841 3.018 20 10 FGCDHM COC[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(OC)c1 ZINC000850363102 731348663 /nfs/dbraw/zinc/34/86/63/731348663.db2.gz ZKWFYCCZMYOVRP-HNNXBMFYSA-N -1 3 366.801 3.440 20 10 FGCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H](CCO)c2ccc(Cl)c(F)c2)c1 ZINC000865654988 733246738 /nfs/dbraw/zinc/24/67/38/733246738.db2.gz XYIXGDDSYCSJND-OAHLLOKOSA-N -1 3 354.765 3.306 20 10 FGCDHM Cc1noc([C@@H]2CCCN(Cc3cc(Br)cc(F)c3[O-])C2)n1 ZINC000893962952 742219387 /nfs/dbraw/zinc/21/93/87/742219387.db2.gz UORSJQTWZJQTMD-SNVBAGLBSA-N -1 3 370.222 3.365 20 10 FGCDHM CCOC(=O)c1ncc(CNCc2cccc(Br)c2[O-])s1 ZINC000894046433 742231571 /nfs/dbraw/zinc/23/15/71/742231571.db2.gz OLUVYLHQALQDOW-UHFFFAOYSA-N -1 3 371.256 3.078 20 10 FGCDHM COC(=O)c1cnc([C@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)s1 ZINC000896968498 742624223 /nfs/dbraw/zinc/62/42/23/742624223.db2.gz AXKGTPQWBCPUAS-VIFPVBQESA-N -1 3 370.833 3.417 20 10 FGCDHM C[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000903397550 743844733 /nfs/dbraw/zinc/84/47/33/743844733.db2.gz OOMARUBMXOQJMC-ZJUUUORDSA-N -1 3 369.252 3.124 20 10 FGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000922762179 759000163 /nfs/dbraw/zinc/00/01/63/759000163.db2.gz VKAASEUISCETMM-IAQYHMDHSA-N -1 3 350.415 3.312 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Nc1cnn(CC)c1 ZINC000080660141 494757006 /nfs/dbraw/zinc/75/70/06/494757006.db2.gz QHDWGPWSXJNQNL-UHFFFAOYSA-N -1 3 367.247 3.425 20 10 FGCDHM CCN(Cc1cn2cccnc2n1)Cc1cc(Br)ccc1[O-] ZINC000173992977 495780656 /nfs/dbraw/zinc/78/06/56/495780656.db2.gz CGLGAIFFDWYTFD-UHFFFAOYSA-N -1 3 361.243 3.220 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN[C@@H](C[S@](C)=O)c2ccccc2)c1[O-] ZINC000183146347 495853814 /nfs/dbraw/zinc/85/38/14/495853814.db2.gz FRZIDMIDQGEBOX-XDHUDOTRSA-N -1 3 365.882 3.458 20 10 FGCDHM Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(C)c(O)c2[O-])c(C)c1 ZINC000177670150 496153294 /nfs/dbraw/zinc/15/32/94/496153294.db2.gz MHFZPZISHCLBTJ-UHFFFAOYSA-N -1 3 356.422 3.042 20 10 FGCDHM COC[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1ccc(F)c(F)c1 ZINC000181447501 496400360 /nfs/dbraw/zinc/40/03/60/496400360.db2.gz BTVJKRPDEJRZQL-KRWDZBQOSA-N -1 3 353.340 3.489 20 10 FGCDHM C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2[O-])CC[S@@](=O)C1 ZINC000277402643 496762387 /nfs/dbraw/zinc/76/23/87/496762387.db2.gz HWHQZOKIVIZJPY-PUAOIOHZSA-N -1 3 359.491 3.172 20 10 FGCDHM C[C@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1cc(Cl)ccc1[O-] ZINC000273370023 496786843 /nfs/dbraw/zinc/78/68/43/496786843.db2.gz FWQWFPVOFLMVOA-AWEZNQCLSA-N -1 3 374.868 3.369 20 10 FGCDHM CC(C)c1nnc2n1CCN(Cc1cc(Br)ccc1[O-])[C@@H]2C ZINC000188448246 496793828 /nfs/dbraw/zinc/79/38/28/496793828.db2.gz BROALHCFPXTQRA-LLVKDONJSA-N -1 3 365.275 3.446 20 10 FGCDHM C[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O)c1nccs1 ZINC000277579771 496819633 /nfs/dbraw/zinc/81/96/33/496819633.db2.gz FQHIBXPBJNGAMN-JTQLQIEISA-N -1 3 365.842 3.070 20 10 FGCDHM C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000273612115 496854014 /nfs/dbraw/zinc/85/40/14/496854014.db2.gz WGZSSRNUPPACGJ-CHWSQXEVSA-N -1 3 366.458 3.193 20 10 FGCDHM CCCCOc1ncccc1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278854893 497243610 /nfs/dbraw/zinc/24/36/10/497243610.db2.gz LJLVCEGKYHSGAF-UHFFFAOYSA-N -1 3 361.398 3.173 20 10 FGCDHM Cc1nc2ccccc2n1C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000279744603 497527952 /nfs/dbraw/zinc/52/79/52/497527952.db2.gz BJIQOVNTJLOGIM-UHFFFAOYSA-N -1 3 351.406 3.233 20 10 FGCDHM O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000280198815 497679357 /nfs/dbraw/zinc/67/93/57/497679357.db2.gz PMPHCFYYGGBJLF-UHFFFAOYSA-N -1 3 361.344 3.111 20 10 FGCDHM CS[C@@H]1CCC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C1 ZINC000277279897 497793976 /nfs/dbraw/zinc/79/39/76/497793976.db2.gz JXFZFWKDNSRWIU-UONOGXRCSA-N -1 3 368.886 3.484 20 10 FGCDHM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc([O-])ccc1Cl ZINC000277298428 497797582 /nfs/dbraw/zinc/79/75/82/497797582.db2.gz DJYTZTULATXZLL-UHFFFAOYSA-N -1 3 360.841 3.154 20 10 FGCDHM CCN(CC)C(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000280612986 497824775 /nfs/dbraw/zinc/82/47/75/497824775.db2.gz DPXLSBOEBMULGK-UHFFFAOYSA-N -1 3 373.409 3.403 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])c1ncccc1[N+](=O)[O-] ZINC000301733570 498243216 /nfs/dbraw/zinc/24/32/16/498243216.db2.gz UGUFKGUBODPMFA-UHFFFAOYSA-N -1 3 352.188 3.484 20 10 FGCDHM Cc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc(N2CCCC2)n1 ZINC000289685805 498248444 /nfs/dbraw/zinc/24/84/44/498248444.db2.gz HYKBZLGIZFGSHY-AWEZNQCLSA-N -1 3 356.426 3.455 20 10 FGCDHM Cc1ccc(C(=O)N2CCC3(C[C@H]3c3nnc(C(C)C)o3)CC2)c([O-])c1O ZINC000365019374 498258094 /nfs/dbraw/zinc/25/80/94/498258094.db2.gz XTZLDIWHCMJWCE-AWEZNQCLSA-N -1 3 371.437 3.323 20 10 FGCDHM CC[C@H](NCCS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000286005591 498265584 /nfs/dbraw/zinc/26/55/84/498265584.db2.gz IWYKMFLAABRSNR-KRWDZBQOSA-N -1 3 351.443 3.187 20 10 FGCDHM CS(=O)(=O)C[C@H]1CCCN(Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000293896797 498526631 /nfs/dbraw/zinc/52/66/31/498526631.db2.gz KTEDWQXAUMKOAV-INIZCTEOSA-N -1 3 359.491 3.316 20 10 FGCDHM CN1C(=O)CSC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC000363863018 499029528 /nfs/dbraw/zinc/02/95/28/499029528.db2.gz AGOHDJVPUNGQPU-UHFFFAOYSA-N -1 3 361.294 3.196 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000364100720 499115685 /nfs/dbraw/zinc/11/56/85/499115685.db2.gz KTTGTRINXMRZHM-UHFFFAOYSA-N -1 3 362.813 3.077 20 10 FGCDHM C[C@@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000367085843 499146620 /nfs/dbraw/zinc/14/66/20/499146620.db2.gz RNIDMSQSHCSWDX-MLGOLLRUSA-N -1 3 360.841 3.336 20 10 FGCDHM C[C@@H]([NH2+]C1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccc(F)cc1[O-] ZINC000368333594 499286192 /nfs/dbraw/zinc/28/61/92/499286192.db2.gz RSMPPGHVLDOWCZ-CYBMUJFWSA-N -1 3 358.413 3.192 20 10 FGCDHM [O-]c1cc2c(cc1CN1CCc3cccc(C(F)(F)F)c3C1)[C@@H](O)CO2 ZINC000530107812 503839313 /nfs/dbraw/zinc/83/93/13/503839313.db2.gz KGYANUULSKJQEE-KRWDZBQOSA-N -1 3 365.351 3.395 20 10 FGCDHM Cc1cc(C(=O)N(C)[C@H](C)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226463 598610258 /nfs/dbraw/zinc/61/02/58/598610258.db2.gz ACKAVPJOIUZROO-CQSZACIVSA-N -1 3 366.469 3.391 20 10 FGCDHM CC[C@@H](C)[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736332588 598611339 /nfs/dbraw/zinc/61/13/39/598611339.db2.gz RVYDIDRFJNIPGW-TZMCWYRMSA-N -1 3 366.469 3.439 20 10 FGCDHM Cc1cncc(C=CC(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822399544 607394619 /nfs/dbraw/zinc/39/46/19/607394619.db2.gz IZPMGPWFCLXVFL-WTKPLQERSA-N -1 3 362.437 3.273 20 10 FGCDHM Cc1cncc(C=CC(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822399544 607394620 /nfs/dbraw/zinc/39/46/20/607394620.db2.gz IZPMGPWFCLXVFL-WTKPLQERSA-N -1 3 362.437 3.273 20 10 FGCDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])c1[O-] ZINC000737678381 599840002 /nfs/dbraw/zinc/84/00/02/599840002.db2.gz QEOVBGHNAHJXGG-CQSZACIVSA-N -1 3 357.406 3.161 20 10 FGCDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c1[O-] ZINC000737678381 599840005 /nfs/dbraw/zinc/84/00/05/599840005.db2.gz QEOVBGHNAHJXGG-CQSZACIVSA-N -1 3 357.406 3.161 20 10 FGCDHM COc1ccc2ccc([O-])c(C[NH+]3CCC([C@H](C)NC(=O)[O-])CC3)c2c1 ZINC000739940046 602425998 /nfs/dbraw/zinc/42/59/98/602425998.db2.gz GALNMDCNQLSQLM-ZDUSSCGKSA-N -1 3 358.438 3.422 20 10 FGCDHM COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000833733722 605125206 /nfs/dbraw/zinc/12/52/06/605125206.db2.gz NLUOOLOVZGSDNN-OLZOCXBDSA-N -1 3 372.421 3.085 20 10 FGCDHM COc1ccc(O)c(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000833733849 605247374 /nfs/dbraw/zinc/24/73/74/605247374.db2.gz SQAUTOTXQJZFPO-INIZCTEOSA-N -1 3 355.312 3.076 20 10 FGCDHM Cc1cc(C(=O)N2[C@H](C)CC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167703 606914578 /nfs/dbraw/zinc/91/45/78/606914578.db2.gz GIZNRHGPYVTEJZ-BETUJISGSA-N -1 3 364.453 3.287 20 10 FGCDHM CCN(CC)c1ccc(CNc2nccc(C)c2-c2nnn[n-]2)cc1F ZINC000825416921 609549435 /nfs/dbraw/zinc/54/94/35/609549435.db2.gz NJNWBGPHZWCDEG-UHFFFAOYSA-N -1 3 355.421 3.168 20 10 FGCDHM CCN(CC)c1ccc(CNc2nccc(C)c2-c2nn[n-]n2)cc1F ZINC000825416921 609549436 /nfs/dbraw/zinc/54/94/36/609549436.db2.gz NJNWBGPHZWCDEG-UHFFFAOYSA-N -1 3 355.421 3.168 20 10 FGCDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000092704166 700440187 /nfs/dbraw/zinc/44/01/87/700440187.db2.gz ODYXDEOVBPBIHU-CYBMUJFWSA-N -1 3 371.275 3.254 20 10 FGCDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000092704297 700440289 /nfs/dbraw/zinc/44/02/89/700440289.db2.gz ARNLLUZSAAXMEG-GFCCVEGCSA-N -1 3 371.275 3.254 20 10 FGCDHM CCCNC(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1Cl ZINC000179448783 705702313 /nfs/dbraw/zinc/70/23/13/705702313.db2.gz RZUBBYZFQLOGFO-UHFFFAOYSA-N -1 3 362.813 3.452 20 10 FGCDHM Cc1cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c(C)c(C)c1O ZINC000187061295 712732130 /nfs/dbraw/zinc/73/21/30/712732130.db2.gz TVTHVAVNZGNSDY-UHFFFAOYSA-N -1 3 359.403 3.225 20 10 FGCDHM CC[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])C[C@]2(CCOC2)O1 ZINC000793360871 723429407 /nfs/dbraw/zinc/42/94/07/723429407.db2.gz GXPJQUPISKFYHI-PBHICJAKSA-N -1 3 370.287 3.233 20 10 FGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1c(F)cccc1F ZINC000769380964 723683862 /nfs/dbraw/zinc/68/38/62/723683862.db2.gz XWKLEERKRXALKP-UHFFFAOYSA-N -1 3 355.768 3.499 20 10 FGCDHM C[C@@H]1[C@H](C)N(Cc2cc3oc4ccccc4c3cc2[O-])CCS1(=O)=O ZINC000736289345 722522594 /nfs/dbraw/zinc/52/25/94/722522594.db2.gz PHYQMBBEJFIKHJ-QWHCGFSZSA-N -1 3 359.447 3.299 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCN(CCc3cccs3)CC2)c1[O-] ZINC000750819588 722782128 /nfs/dbraw/zinc/78/21/28/722782128.db2.gz RLEQLZXHENYLGE-UHFFFAOYSA-N -1 3 362.470 3.156 20 10 FGCDHM C[C@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCS(=O)(=O)C1 ZINC000762160125 723220627 /nfs/dbraw/zinc/22/06/27/723220627.db2.gz DWASCUXFMKASNQ-ZDUSSCGKSA-N -1 3 359.447 3.158 20 10 FGCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCCS1 ZINC000768912059 723672042 /nfs/dbraw/zinc/67/20/42/723672042.db2.gz LYBXLNJGZOKBDJ-GOEBONIOSA-N -1 3 354.903 3.022 20 10 FGCDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H](C(F)(F)F)O1 ZINC000769498285 723687521 /nfs/dbraw/zinc/68/75/21/723687521.db2.gz SZMLPGVBPFRWEU-QPUJVOFHSA-N -1 3 354.166 3.306 20 10 FGCDHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775664593 724018999 /nfs/dbraw/zinc/01/89/99/724018999.db2.gz NFVPWNSDNOXEKU-JTQLQIEISA-N -1 3 372.849 3.025 20 10 FGCDHM O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cccc(O)c1[O-] ZINC000776323682 724132128 /nfs/dbraw/zinc/13/21/28/724132128.db2.gz PASZOAASJGTIDQ-UHFFFAOYSA-N -1 3 356.359 3.202 20 10 FGCDHM C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1cccc(O)c1[O-] ZINC000776338439 724134140 /nfs/dbraw/zinc/13/41/40/724134140.db2.gz IHEYJTAXOUVFIP-SNVBAGLBSA-N -1 3 355.312 3.314 20 10 FGCDHM C[C@H]1CCN(Cc2ccc(N(C)C)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788366 725095558 /nfs/dbraw/zinc/09/55/58/725095558.db2.gz LZYLDKLXOYBGEN-XEZPLFJOSA-N -1 3 357.420 3.030 20 10 FGCDHM Nc1nccc([C@H]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC000809662886 725257380 /nfs/dbraw/zinc/25/73/80/725257380.db2.gz HEKITQGXUQKDIG-JTQLQIEISA-N -1 3 353.253 3.451 20 10 FGCDHM [O-]c1c(F)cc(Cl)cc1CNCc1ccncc1OC[C@@H]1CCOC1 ZINC000809783892 725268582 /nfs/dbraw/zinc/26/85/82/725268582.db2.gz NTFAYXHOVCPWOK-GFCCVEGCSA-N -1 3 366.820 3.285 20 10 FGCDHM CC[C@@H](NCc1nnnn1CC1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237121 725298871 /nfs/dbraw/zinc/29/88/71/725298871.db2.gz PVYFVKYKUHEFOF-CYBMUJFWSA-N -1 3 355.364 3.048 20 10 FGCDHM [O-]c1ccc(Br)cc1CNCc1ncn(-c2ccccc2)n1 ZINC000815163827 727047209 /nfs/dbraw/zinc/04/72/09/727047209.db2.gz WAKCBRYEDMOCHD-UHFFFAOYSA-N -1 3 359.227 3.025 20 10 FGCDHM COC(=O)c1cnc([C@H](C)NCc2cc(Br)ccc2[O-])s1 ZINC000818232138 727302756 /nfs/dbraw/zinc/30/27/56/727302756.db2.gz RVZMSDUDTVNBFF-QMMMGPOBSA-N -1 3 371.256 3.249 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCN(Cc2ccco2)CC1 ZINC000824542446 729346173 /nfs/dbraw/zinc/34/61/73/729346173.db2.gz SAFIUCHQYMIACI-UHFFFAOYSA-N -1 3 351.244 3.066 20 10 FGCDHM COc1ccc(OC)c(CN(CCO)Cc2c([O-])cc(C)cc2Cl)c1 ZINC000840914615 730190595 /nfs/dbraw/zinc/19/05/95/730190595.db2.gz DMXPMBZOKRTFJA-UHFFFAOYSA-N -1 3 365.857 3.366 20 10 FGCDHM CCc1nsc(N2CCN(Cc3c([O-])cc(C)cc3Cl)CC2)n1 ZINC000840917469 730191284 /nfs/dbraw/zinc/19/12/84/730191284.db2.gz OVXAJDLGUMMHAC-UHFFFAOYSA-N -1 3 352.891 3.090 20 10 FGCDHM Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000840946739 730195205 /nfs/dbraw/zinc/19/52/05/730195205.db2.gz NURIWAZGEZRFCX-NSHDSACASA-N -1 3 364.795 3.245 20 10 FGCDHM Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000840946739 730195209 /nfs/dbraw/zinc/19/52/09/730195209.db2.gz NURIWAZGEZRFCX-NSHDSACASA-N -1 3 364.795 3.245 20 10 FGCDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@@H]2CCC[C@@H]21 ZINC000859951075 732421881 /nfs/dbraw/zinc/42/18/81/732421881.db2.gz JIYPGYZJDAPWEA-BFYDXBDKSA-N -1 3 365.857 3.412 20 10 FGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@H](C(F)(F)F)O1 ZINC000862247676 732797182 /nfs/dbraw/zinc/79/71/82/732797182.db2.gz AAQXHQXFANFVJZ-PRHODGIISA-N -1 3 354.166 3.306 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ncc(Br)s2)c1 ZINC000866620302 733374895 /nfs/dbraw/zinc/37/48/95/733374895.db2.gz MHAIFRRDTMLWHA-MRVPVSSYSA-N -1 3 371.256 3.249 20 10 FGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000894076599 742235403 /nfs/dbraw/zinc/23/54/03/742235403.db2.gz PHMOTOIKPXRYLW-CQSZACIVSA-N -1 3 374.250 3.064 20 10 FGCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)ccc1O ZINC000901907900 743673656 /nfs/dbraw/zinc/67/36/56/743673656.db2.gz YGYPFOGYJDZAJD-UHFFFAOYSA-N -1 3 360.435 3.121 20 10 FGCDHM CC(C)[C@@H](N[C@@H](C)c1cc(Br)cc(F)c1[O-])c1nncn1C ZINC000903063924 743800889 /nfs/dbraw/zinc/80/08/89/743800889.db2.gz JELIZOZOPHVUKO-TVQRCGJNSA-N -1 3 371.254 3.470 20 10 FGCDHM CC(C)CCCCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000919813106 758478326 /nfs/dbraw/zinc/47/83/26/758478326.db2.gz VKKJQVYMGPGECP-UHFFFAOYSA-N -1 3 356.488 3.100 20 10 FGCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H](CO)c2ccccc2C(F)(F)F)c1 ZINC000922985028 759045080 /nfs/dbraw/zinc/04/50/80/759045080.db2.gz QZWFTMMCCSKAPN-AWEZNQCLSA-N -1 3 356.300 3.142 20 10 FGCDHM O=C(NCc1c([O-])cccc1F)C1(c2cncc(Br)c2)CC1 ZINC000928708736 760242024 /nfs/dbraw/zinc/24/20/24/760242024.db2.gz RUVVUPFUSQRIID-UHFFFAOYSA-N -1 3 365.202 3.037 20 10 FGCDHM C[C@H](Cc1ccc(O)cc1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277328872 496737608 /nfs/dbraw/zinc/73/76/08/496737608.db2.gz MLLOZELZKYQWQH-GFCCVEGCSA-N -1 3 374.824 3.147 20 10 FGCDHM COCCOc1ccccc1CN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273302979 496768540 /nfs/dbraw/zinc/76/85/40/496768540.db2.gz BYKFVSDPGGCNQM-AWEZNQCLSA-N -1 3 359.422 3.055 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cccc3c2OCCCO3)c1 ZINC000273545367 496836238 /nfs/dbraw/zinc/83/62/38/496836238.db2.gz ZEVXGWFSJJTPIE-CYBMUJFWSA-N -1 3 357.406 3.191 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CCOC[C@H]1C ZINC000277805562 496893984 /nfs/dbraw/zinc/89/39/84/496893984.db2.gz VXTAASAKOIXPET-RISCZKNCSA-N -1 3 371.275 3.111 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CCOC[C@@H]1C ZINC000277805557 496894412 /nfs/dbraw/zinc/89/44/12/496894412.db2.gz VXTAASAKOIXPET-FZMZJTMJSA-N -1 3 371.275 3.111 20 10 FGCDHM COc1cc(Cl)cc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000278448902 497117960 /nfs/dbraw/zinc/11/79/60/497117960.db2.gz XNOLMOOQXTYTMF-LKFCYVNXSA-N -1 3 353.768 3.189 20 10 FGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000279854508 497564825 /nfs/dbraw/zinc/56/48/25/497564825.db2.gz PFMXOEHEFRNNBJ-XOBRGWDASA-N -1 3 371.433 3.153 20 10 FGCDHM COC(=O)[C@@H](CC(F)(F)F)NCc1cc(Br)cc(C)c1[O-] ZINC000276420815 497569741 /nfs/dbraw/zinc/56/97/41/497569741.db2.gz GJCVFOLJWIKYGY-SNVBAGLBSA-N -1 3 370.165 3.047 20 10 FGCDHM CC(=O)c1cc(F)cc(CN[C@@H](Cc2nc(C)no2)c2ccccc2)c1[O-] ZINC000277199530 497773399 /nfs/dbraw/zinc/77/33/99/497773399.db2.gz MKGMWTHTRPKIHZ-SFHVURJKSA-N -1 3 369.396 3.499 20 10 FGCDHM COc1c([O-])c(CNc2ccc(C(=O)N3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000280842920 497920525 /nfs/dbraw/zinc/92/05/25/497920525.db2.gz YOHVLKDYXJZALU-UHFFFAOYSA-N -1 3 371.393 3.157 20 10 FGCDHM O=[N+]([O-])c1cccnc1N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000301165852 497980723 /nfs/dbraw/zinc/98/07/23/497980723.db2.gz DPHUPLLOAKGWBF-AWEZNQCLSA-N -1 3 362.817 3.425 20 10 FGCDHM COC(=O)c1ccc(CNCc2cc(Br)cc(C)c2[O-])o1 ZINC000289428236 498142870 /nfs/dbraw/zinc/14/28/70/498142870.db2.gz KHSUCVHSBIQIDG-UHFFFAOYSA-N -1 3 354.200 3.133 20 10 FGCDHM C[C@@H](NCc1ncccc1N(C)C)c1cc(Br)ccc1[O-] ZINC000289570196 498198685 /nfs/dbraw/zinc/19/86/85/498198685.db2.gz AXBHAJRNWDESHQ-LLVKDONJSA-N -1 3 350.260 3.467 20 10 FGCDHM CC[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1[O-] ZINC000285973403 498257106 /nfs/dbraw/zinc/25/71/06/498257106.db2.gz HFZJKDNIAXWOKZ-YVEFUNNKSA-N -1 3 366.458 3.241 20 10 FGCDHM Cc1ccc(C(=O)N2CCC3(C[C@@H]3c3nnc(C(C)C)o3)CC2)c([O-])c1O ZINC000365019375 498258625 /nfs/dbraw/zinc/25/86/25/498258625.db2.gz XTZLDIWHCMJWCE-CQSZACIVSA-N -1 3 371.437 3.323 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN[C@]2(CO)CCOc3ccccc32)c1[O-] ZINC000281805013 498276243 /nfs/dbraw/zinc/27/62/43/498276243.db2.gz VORYVBSGBPGZAL-IBGZPJMESA-N -1 3 361.825 3.008 20 10 FGCDHM COc1c([O-])c(CN2CCC(Nc3cccc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000370527177 499228969 /nfs/dbraw/zinc/22/89/69/499228969.db2.gz HVRVFESZLVTDHK-UHFFFAOYSA-N -1 3 372.425 3.089 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375414132 499515819 /nfs/dbraw/zinc/51/58/19/499515819.db2.gz LLMYHWCHYJZORJ-NSHDSACASA-N -1 3 364.243 3.405 20 10 FGCDHM CC[C@H](c1ccccc1[O-])N1CCOC[C@H]1c1ncn(CC(F)(F)F)n1 ZINC000377667097 499717348 /nfs/dbraw/zinc/71/73/48/499717348.db2.gz AEEKGCVHKIMEEF-KGLIPLIRSA-N -1 3 370.375 3.071 20 10 FGCDHM Cc1cc(C(=O)N2C[C@H](C)C[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232949 598952297 /nfs/dbraw/zinc/95/22/97/598952297.db2.gz BGICUHCXBJAJAB-CHWSQXEVSA-N -1 3 364.453 3.145 20 10 FGCDHM Cc1ccccc1NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737436945 598315790 /nfs/dbraw/zinc/31/57/90/598315790.db2.gz UKFKTMLHQJCABV-UHFFFAOYSA-N -1 3 359.846 3.142 20 10 FGCDHM Cc1ccccc1NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737436945 598315792 /nfs/dbraw/zinc/31/57/92/598315792.db2.gz UKFKTMLHQJCABV-UHFFFAOYSA-N -1 3 359.846 3.142 20 10 FGCDHM Fc1ccc2c(C3=CCN(c4ccc(-c5nnn[n-]5)nc4)CC3)c[nH]c2c1 ZINC000822783085 606051909 /nfs/dbraw/zinc/05/19/09/606051909.db2.gz UOUHIRHTWKUJNK-UHFFFAOYSA-N -1 3 361.384 3.176 20 10 FGCDHM Fc1ccc2c(C3=CCN(c4ccc(-c5nn[n-]n5)nc4)CC3)c[nH]c2c1 ZINC000822783085 606051915 /nfs/dbraw/zinc/05/19/15/606051915.db2.gz UOUHIRHTWKUJNK-UHFFFAOYSA-N -1 3 361.384 3.176 20 10 FGCDHM C[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1n1ccnc1 ZINC000091960200 700429396 /nfs/dbraw/zinc/42/93/96/700429396.db2.gz AFFNVBVASDYUGM-ABAIWWIYSA-N -1 3 350.806 3.233 20 10 FGCDHM COc1ccc([C@H](CO)N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000093415438 700451759 /nfs/dbraw/zinc/45/17/59/700451759.db2.gz RIXJNNUJURUYEN-INIZCTEOSA-N -1 3 366.801 3.128 20 10 FGCDHM O=C1N[C@H](c2cc(O)cc(Br)c2[O-])Nc2cccc(Cl)c21 ZINC000172863108 705432727 /nfs/dbraw/zinc/43/27/27/705432727.db2.gz RCRQKMXWYVPHQS-CYBMUJFWSA-N -1 3 369.602 3.368 20 10 FGCDHM CCCCNc1cc(NCc2cccc(Br)c2[O-])nc(N)n1 ZINC000804654622 724537458 /nfs/dbraw/zinc/53/74/58/724537458.db2.gz VBMKWHAFPMWGHZ-UHFFFAOYSA-N -1 3 366.263 3.351 20 10 FGCDHM O=C(NCc1cc(F)c(F)cc1Br)c1cccc(O)c1[O-] ZINC000804689367 724542590 /nfs/dbraw/zinc/54/25/90/724542590.db2.gz CKQWQYINCNGWHN-UHFFFAOYSA-N -1 3 358.138 3.069 20 10 FGCDHM CC(C)(NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)Nc1ccccc1 ZINC000731041693 722472916 /nfs/dbraw/zinc/47/29/16/722472916.db2.gz PFLDSQXVDNHVNN-UHFFFAOYSA-N -1 3 363.801 3.461 20 10 FGCDHM COC(=O)CN(Cc1ncc(C(C)C)o1)Cc1cc(Cl)ccc1[O-] ZINC000733310085 722495382 /nfs/dbraw/zinc/49/53/82/722495382.db2.gz JMJGJLYIQUCUDS-UHFFFAOYSA-N -1 3 352.818 3.332 20 10 FGCDHM Cn1ccnc1[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Cl)cc1 ZINC000790511221 723147299 /nfs/dbraw/zinc/14/72/99/723147299.db2.gz AOVRXRHRNBTYRQ-OAHLLOKOSA-N -1 3 357.797 3.004 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCc2c(F)cc(Br)cc2C1 ZINC000790882908 723189175 /nfs/dbraw/zinc/18/91/75/723189175.db2.gz SQOQMMHPULFBMT-UHFFFAOYSA-N -1 3 366.186 3.198 20 10 FGCDHM O=C(NC1CCCCC1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000768264383 723652114 /nfs/dbraw/zinc/65/21/14/723652114.db2.gz NAOWAWDIWFBJOZ-UHFFFAOYSA-N -1 3 351.878 3.206 20 10 FGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCCC[C@@H]1CN1CCOCC1 ZINC000769319154 723682277 /nfs/dbraw/zinc/68/22/77/723682277.db2.gz SZURMWOGHDXQGI-OAHLLOKOSA-N -1 3 359.297 3.386 20 10 FGCDHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cccc(Br)c1[O-] ZINC000769499204 723687479 /nfs/dbraw/zinc/68/74/79/723687479.db2.gz OSKRZCMINRZAII-CABCVRRESA-N -1 3 369.303 3.376 20 10 FGCDHM C[C@@H]1C[C@@]2(CCO1)CN(Cc1cccc(Br)c1[O-])C[C@H](C)O2 ZINC000797605683 723841740 /nfs/dbraw/zinc/84/17/40/723841740.db2.gz UPXAEMNPRMDXFS-IGCXYCKISA-N -1 3 370.287 3.313 20 10 FGCDHM COc1ccc(F)cc1[C@@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774973372 723946873 /nfs/dbraw/zinc/94/68/73/723946873.db2.gz AGJQZLUWGBOCQG-SNVBAGLBSA-N -1 3 350.346 3.308 20 10 FGCDHM COc1c([O-])c(CNCc2ccccc2Br)ccc1[N+](=O)[O-] ZINC000774989703 723948584 /nfs/dbraw/zinc/94/85/84/723948584.db2.gz KGDKXLLYWFOYHI-UHFFFAOYSA-N -1 3 367.199 3.361 20 10 FGCDHM O=C(NCCCc1ccc(Br)cc1F)c1cccc(O)c1[O-] ZINC000776655733 724167213 /nfs/dbraw/zinc/16/72/13/724167213.db2.gz CTSQKPVVOIJURX-UHFFFAOYSA-N -1 3 368.202 3.362 20 10 FGCDHM COCCCN(Cc1ccncc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809740580 725264132 /nfs/dbraw/zinc/26/41/32/725264132.db2.gz FBKHALLMCURLPD-UHFFFAOYSA-N -1 3 365.817 3.388 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000811520460 725372333 /nfs/dbraw/zinc/37/23/33/725372333.db2.gz PFPRDFTUWTYLGS-LBPRGKRZSA-N -1 3 356.651 3.452 20 10 FGCDHM C[C@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@H](C)S1(=O)=O ZINC000811797002 725380467 /nfs/dbraw/zinc/38/04/67/725380467.db2.gz SAONHPMTQCLEMH-STQMWFEESA-N -1 3 363.479 3.025 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCC(OC(=O)N(C)C)CC2)c1 ZINC000816655533 727185945 /nfs/dbraw/zinc/18/59/45/727185945.db2.gz IJZVQOIXJADQQB-UHFFFAOYSA-N -1 3 371.275 3.126 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCN(c2cccc(O)c2)CC1 ZINC000824541469 729346224 /nfs/dbraw/zinc/34/62/24/729346224.db2.gz AFYTUWYAFMFWEC-UHFFFAOYSA-N -1 3 363.255 3.183 20 10 FGCDHM COC(=O)CN(CCc1ncc(C)cc1C)Cc1cc(Cl)ccc1[O-] ZINC000828062931 729439350 /nfs/dbraw/zinc/43/93/50/729439350.db2.gz VHVXPYANVCCTDS-UHFFFAOYSA-N -1 3 362.857 3.275 20 10 FGCDHM COc1ccc(CN(CCO)Cc2c([O-])cc(C)cc2Cl)c(OC)c1 ZINC000840915058 730190860 /nfs/dbraw/zinc/19/08/60/730190860.db2.gz JHIGDPBEGLQDHX-UHFFFAOYSA-N -1 3 365.857 3.366 20 10 FGCDHM COc1ccccc1CN(CCO)Cc1c([O-])cccc1Br ZINC000862226421 732789701 /nfs/dbraw/zinc/78/97/01/732789701.db2.gz DJOVJKQXDMAQTE-UHFFFAOYSA-N -1 3 366.255 3.158 20 10 FGCDHM COc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc(Br)cc1[O-])N2 ZINC000877851400 736735585 /nfs/dbraw/zinc/73/55/85/736735585.db2.gz CRPNGPOWAJNWTL-HNNXBMFYSA-N -1 3 363.211 3.360 20 10 FGCDHM CC(C)[C@@H](N[C@H](C)c1cc(Br)cc(F)c1[O-])c1nncn1C ZINC000903063922 743800723 /nfs/dbraw/zinc/80/07/23/743800723.db2.gz JELIZOZOPHVUKO-NOZJJQNGSA-N -1 3 371.254 3.470 20 10 FGCDHM CC(C)[C@H](N[C@@H](C)c1cc(Br)c(F)cc1[O-])c1nncn1C ZINC000903063049 743800896 /nfs/dbraw/zinc/80/08/96/743800896.db2.gz BQHHOFGKRIWMQX-XPTSAGLGSA-N -1 3 371.254 3.470 20 10 FGCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)[C@H]1OCCc2sccc21 ZINC000922597040 758958625 /nfs/dbraw/zinc/95/86/25/758958625.db2.gz MRVBGNWPTPULEF-QLJPJBMISA-N -1 3 350.415 3.095 20 10 FGCDHM COc1ccc(SCCC(=O)NCc2c([O-])cccc2F)cc1OC ZINC000928706566 760241806 /nfs/dbraw/zinc/24/18/06/760241806.db2.gz XJYXJFMYBOKTBW-UHFFFAOYSA-N -1 3 365.426 3.347 20 10 FGCDHM O=C(CCC(=O)NCc1c([O-])cccc1F)CCC(=O)c1cccs1 ZINC000928711589 760243321 /nfs/dbraw/zinc/24/33/21/760243321.db2.gz JLHNTAYQOTZEFL-UHFFFAOYSA-N -1 3 363.410 3.221 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000079409693 494450257 /nfs/dbraw/zinc/45/02/57/494450257.db2.gz IZMPFEAFNLARDM-ZDUSSCGKSA-N -1 3 366.433 3.081 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CCSC1 ZINC000080518401 494724624 /nfs/dbraw/zinc/72/46/24/494724624.db2.gz MEIRIPFQLKSVLW-GFCCVEGCSA-N -1 3 359.289 3.192 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCC(OC2CCOCC2)CC1 ZINC000093139913 494833567 /nfs/dbraw/zinc/83/35/67/494833567.db2.gz OTLWTYTZINKSIY-UHFFFAOYSA-N -1 3 370.287 3.315 20 10 FGCDHM COc1cc(NC(=O)CN(C)Cc2ccccc2[O-])c(OC)cc1Cl ZINC000109770547 494916214 /nfs/dbraw/zinc/91/62/14/494916214.db2.gz NUEYBKIFLPWOGZ-UHFFFAOYSA-N -1 3 364.829 3.133 20 10 FGCDHM C[C@@H](NCc1cccc(Cl)c1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180084640 495850637 /nfs/dbraw/zinc/85/06/37/495850637.db2.gz ARRFPZQIONUEOT-GFCCVEGCSA-N -1 3 368.886 3.147 20 10 FGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2cn(C)nc2C(F)(F)F)c1[O-] ZINC000155354816 495931178 /nfs/dbraw/zinc/93/11/78/495931178.db2.gz KFULFGHVAJFEJD-UHFFFAOYSA-N -1 3 359.323 3.118 20 10 FGCDHM Cc1ccc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)c([O-])c1O ZINC000177682979 496157700 /nfs/dbraw/zinc/15/77/00/496157700.db2.gz DZJOPFMWYFNKNI-GOSISDBHSA-N -1 3 359.397 3.131 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCSC3(CCOCC3)C2)c1[O-] ZINC000186830784 496171963 /nfs/dbraw/zinc/17/19/63/496171963.db2.gz XMWGUTNFDJIMAZ-UHFFFAOYSA-N -1 3 355.887 3.346 20 10 FGCDHM Cc1cc(Br)cc([C@H](C)NCc2nnc3n2CCCC3)c1[O-] ZINC000187546555 496485159 /nfs/dbraw/zinc/48/51/59/496485159.db2.gz JHNMXYZOXOBKTI-NSHDSACASA-N -1 3 365.275 3.242 20 10 FGCDHM Cc1ccc(C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)c([O-])c1O ZINC000182223578 496712501 /nfs/dbraw/zinc/71/25/01/496712501.db2.gz YFUZNYPIKICDKE-UHFFFAOYSA-N -1 3 368.433 3.214 20 10 FGCDHM C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2[O-])CC[S@](=O)C1 ZINC000277402642 496762273 /nfs/dbraw/zinc/76/22/73/496762273.db2.gz HWHQZOKIVIZJPY-LMKMVOKYSA-N -1 3 359.491 3.172 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cc1cncs1 ZINC000188412239 496781007 /nfs/dbraw/zinc/78/10/07/496781007.db2.gz WHEDHNOYTLFMSZ-UHFFFAOYSA-N -1 3 355.257 3.202 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc(OC)c(OC)cc2OC)c1 ZINC000273437230 496806233 /nfs/dbraw/zinc/80/62/33/496806233.db2.gz MEYRSPCTLBUIOH-NSHDSACASA-N -1 3 361.394 3.378 20 10 FGCDHM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000273612118 496853744 /nfs/dbraw/zinc/85/37/44/496853744.db2.gz WGZSSRNUPPACGJ-STQMWFEESA-N -1 3 366.458 3.193 20 10 FGCDHM CCOCCC1(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CC1 ZINC000277754266 496875623 /nfs/dbraw/zinc/87/56/23/496875623.db2.gz VNNZPIFXSSAFDX-UHFFFAOYSA-N -1 3 366.845 3.017 20 10 FGCDHM COc1cc(F)c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000278627391 497172770 /nfs/dbraw/zinc/17/27/70/497172770.db2.gz GLWGNFCRYYUQFB-UHFFFAOYSA-N -1 3 352.318 3.077 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC(c3nnc4n3CCCC4)CC2)c1[O-] ZINC000275029928 497221747 /nfs/dbraw/zinc/22/17/47/497221747.db2.gz VWTQIESTPMGJEY-UHFFFAOYSA-N -1 3 372.444 3.041 20 10 FGCDHM COc1c([O-])c(CNc2ccc(NC(=O)C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000278833695 497236600 /nfs/dbraw/zinc/23/66/00/497236600.db2.gz JACZRBXRQZGEML-UHFFFAOYSA-N -1 3 357.366 3.270 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCCCC(=O)OC ZINC000275296572 497277893 /nfs/dbraw/zinc/27/78/93/497277893.db2.gz NFPPDNKKCQAJNF-UHFFFAOYSA-N -1 3 372.259 3.237 20 10 FGCDHM CC(=O)N1CCN(Cc2cccc(NCc3c([O-])cccc3Cl)c2)CC1 ZINC000275772757 497427760 /nfs/dbraw/zinc/42/77/60/497427760.db2.gz HECCSLWXGOEZIM-UHFFFAOYSA-N -1 3 373.884 3.322 20 10 FGCDHM Cc1cc(Br)cc(CN2CCC(O)(C(F)(F)F)CC2)c1[O-] ZINC000272887416 497753325 /nfs/dbraw/zinc/75/33/25/497753325.db2.gz YUFOMAWIKLEZME-UHFFFAOYSA-N -1 3 368.193 3.352 20 10 FGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CCC[C@@H]1CCCCO1 ZINC000277290858 497796351 /nfs/dbraw/zinc/79/63/51/497796351.db2.gz QYOJREFOGGSQGV-HNNXBMFYSA-N -1 3 366.845 3.159 20 10 FGCDHM O=[N+]([O-])c1ccc(N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC000301155764 497974704 /nfs/dbraw/zinc/97/47/04/497974704.db2.gz AALWTHSYWGJJPI-AWEZNQCLSA-N -1 3 362.817 3.425 20 10 FGCDHM O=C([N-]CC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1)C(F)(F)F ZINC000281315825 498102436 /nfs/dbraw/zinc/10/24/36/498102436.db2.gz QVHDGHKFYYJIQI-UHFFFAOYSA-N -1 3 366.383 3.436 20 10 FGCDHM COCCn1cc2c(n1)[C@@H](N[C@H](C)c1ccc(F)c(F)c1[O-])CCC2 ZINC000364784915 498141401 /nfs/dbraw/zinc/14/14/01/498141401.db2.gz JGXTUSBPISMATI-ABAIWWIYSA-N -1 3 351.397 3.242 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])c1cc(C)nc(COC)n1 ZINC000301717695 498236783 /nfs/dbraw/zinc/23/67/83/498236783.db2.gz KXKAONCHLXAVQA-UHFFFAOYSA-N -1 3 366.259 3.426 20 10 FGCDHM COc1c([O-])c(CN[C@H]2CCCOc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC000365322263 498404475 /nfs/dbraw/zinc/40/44/75/498404475.db2.gz JAVACOKOSWZXQQ-AWEZNQCLSA-N -1 3 362.357 3.452 20 10 FGCDHM COc1c([O-])c(CN[C@@H](c2ccccc2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000294059520 498576484 /nfs/dbraw/zinc/57/64/84/498576484.db2.gz XPZQDQPBJJCTTD-IBGZPJMESA-N -1 3 372.421 3.303 20 10 FGCDHM C[C@@H](NCc1cc(Br)ccc1[O-])c1nnc2n1CCCCC2 ZINC000317839170 498793418 /nfs/dbraw/zinc/79/34/18/498793418.db2.gz QVMYJXWZLYVEPZ-LLVKDONJSA-N -1 3 365.275 3.323 20 10 FGCDHM C[C@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000368211914 499274391 /nfs/dbraw/zinc/27/43/91/499274391.db2.gz JYAUKRCAEPLGJB-IINYFYTJSA-N -1 3 373.280 3.130 20 10 FGCDHM C[C@@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000368211916 499274456 /nfs/dbraw/zinc/27/44/56/499274456.db2.gz JYAUKRCAEPLGJB-YGRLFVJLSA-N -1 3 373.280 3.130 20 10 FGCDHM COc1c([O-])c(CN2CCC(F)(c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000375300464 499504505 /nfs/dbraw/zinc/50/45/05/499504505.db2.gz AZAFUBJKVUUJRX-UHFFFAOYSA-N -1 3 361.373 3.165 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](c3nc(C4CC4)no3)C2)c1[O-] ZINC000375439899 499519405 /nfs/dbraw/zinc/51/94/05/499519405.db2.gz UMEKWWKQJPZDGP-LBPRGKRZSA-N -1 3 361.829 3.498 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2[C@H]2CCCN2C(C)=O)c1[O-] ZINC000375875068 499564075 /nfs/dbraw/zinc/56/40/75/499564075.db2.gz SDNRDADAFCXFJA-ZWKOTPCHSA-N -1 3 364.873 3.224 20 10 FGCDHM Cc1noc([C@@H](NCc2cc(Cl)cc(C)c2[O-])C2CCOCC2)n1 ZINC000375891113 499565266 /nfs/dbraw/zinc/56/52/66/499565266.db2.gz MTIMVGSONGTZGX-HNNXBMFYSA-N -1 3 351.834 3.303 20 10 FGCDHM [O-]c1c(F)cccc1CN1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000376167219 499588463 /nfs/dbraw/zinc/58/84/63/499588463.db2.gz PBHMHETZRDIPDT-CQSZACIVSA-N -1 3 355.373 3.099 20 10 FGCDHM CN(C(=O)[C@H]1CC12CCN(Cc1c([O-])ccc(Cl)c1F)CC2)C1CC1 ZINC000377274462 499676022 /nfs/dbraw/zinc/67/60/22/499676022.db2.gz ZJUVJHHJFHYUDL-CQSZACIVSA-N -1 3 366.864 3.408 20 10 FGCDHM Cc1cc(C(=O)NC(C)(C)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234260 599105260 /nfs/dbraw/zinc/10/52/60/599105260.db2.gz NLDBIGLTRAQFHF-UHFFFAOYSA-N -1 3 364.453 3.193 20 10 FGCDHM CN(C(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000821569284 599147128 /nfs/dbraw/zinc/14/71/28/599147128.db2.gz DOMRJTYHHBHMJG-CMDGGOBGSA-N -1 3 368.466 3.297 20 10 FGCDHM CN(C(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000821569284 599147132 /nfs/dbraw/zinc/14/71/32/599147132.db2.gz DOMRJTYHHBHMJG-CMDGGOBGSA-N -1 3 368.466 3.297 20 10 FGCDHM Cc1cc(C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260549 607707812 /nfs/dbraw/zinc/70/78/12/607707812.db2.gz UBZFZUUGUDMVIL-UHFFFAOYSA-N -1 3 374.404 3.232 20 10 FGCDHM COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000833733723 605125086 /nfs/dbraw/zinc/12/50/86/605125086.db2.gz NLUOOLOVZGSDNN-QWHCGFSZSA-N -1 3 372.421 3.085 20 10 FGCDHM N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(O)c3[O-])s2)cc1 ZINC000192963205 712879067 /nfs/dbraw/zinc/87/90/67/712879067.db2.gz YBSMPTAFLJRAIP-UHFFFAOYSA-N -1 3 351.387 3.269 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(C)(c3nc(C)no3)CC2)c1[O-] ZINC000781349912 724555459 /nfs/dbraw/zinc/55/54/59/724555459.db2.gz GWTACNBUAFWBKA-UHFFFAOYSA-N -1 3 363.845 3.493 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN[C@H](CO)c2c(F)cccc2F)c1[O-] ZINC000782062526 724624504 /nfs/dbraw/zinc/62/45/04/724624504.db2.gz PPSAQDAWKLKVRH-OAHLLOKOSA-N -1 3 355.768 3.350 20 10 FGCDHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1cccnc1Cl ZINC000738365973 722530028 /nfs/dbraw/zinc/53/00/28/722530028.db2.gz NTTLAGYJSVUZND-UHFFFAOYSA-N -1 3 365.886 3.204 20 10 FGCDHM C[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756711151 722968951 /nfs/dbraw/zinc/96/89/51/722968951.db2.gz IRIPEAUXIBDRRW-ZUZCIYMTSA-N -1 3 350.340 3.266 20 10 FGCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000758633322 722992780 /nfs/dbraw/zinc/99/27/80/722992780.db2.gz UYFJAOYDKQZURD-AWEZNQCLSA-N -1 3 356.300 3.142 20 10 FGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000790415754 723137817 /nfs/dbraw/zinc/13/78/17/723137817.db2.gz LDWVESGOASQNCC-UHFFFAOYSA-N -1 3 368.842 3.367 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN[C@H](c2nc[nH]n2)c2ccccc2)c1 ZINC000761511927 723161249 /nfs/dbraw/zinc/16/12/49/723161249.db2.gz VLQSXINDRFEFHC-HNNXBMFYSA-N -1 3 373.254 3.460 20 10 FGCDHM COC(=O)CCSCc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790649373 723163463 /nfs/dbraw/zinc/16/34/63/723163463.db2.gz FHYOVXMSFDXUGK-UHFFFAOYSA-N -1 3 361.419 3.146 20 10 FGCDHM CCS(=O)(=O)c1ccc(CNCc2c([O-])ccc(Cl)c2F)s1 ZINC000793208100 723411241 /nfs/dbraw/zinc/41/12/41/723411241.db2.gz XCDQMBHAJUTCAY-UHFFFAOYSA-N -1 3 363.863 3.330 20 10 FGCDHM Cc1cnc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)s1 ZINC000769458638 723686165 /nfs/dbraw/zinc/68/61/65/723686165.db2.gz WWRTWKORPSYOAT-UHFFFAOYSA-N -1 3 368.300 3.242 20 10 FGCDHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769673433 723691820 /nfs/dbraw/zinc/69/18/20/723691820.db2.gz XHROIXZTJZPCEL-HUUCEWRRSA-N -1 3 368.499 3.098 20 10 FGCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1=CC(=O)CS1 ZINC000771055804 723726871 /nfs/dbraw/zinc/72/68/71/723726871.db2.gz FIWHIRAJSYPOJT-CYBMUJFWSA-N -1 3 366.870 3.207 20 10 FGCDHM COc1c([O-])c([C@H]2Nc3ccc(Cl)cc3C(=O)N2C)ccc1[N+](=O)[O-] ZINC000772177024 723753101 /nfs/dbraw/zinc/75/31/01/723753101.db2.gz JNZNBKUAZCEJDX-HNNXBMFYSA-N -1 3 363.757 3.159 20 10 FGCDHM O=[N+]([O-])c1ccc2[nH]c(CNCc3c([O-])ccc(Cl)c3F)nc2c1 ZINC000775179791 723968920 /nfs/dbraw/zinc/96/89/20/723968920.db2.gz QYTQEPFTCADEQE-UHFFFAOYSA-N -1 3 350.737 3.259 20 10 FGCDHM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775644197 724014685 /nfs/dbraw/zinc/01/46/85/724014685.db2.gz GMVODZKNYRTOHU-JTQLQIEISA-N -1 3 372.849 3.025 20 10 FGCDHM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000776343850 724134534 /nfs/dbraw/zinc/13/45/34/724134534.db2.gz JVMDFIGBZJPJAI-ZDUSSCGKSA-N -1 3 360.841 3.316 20 10 FGCDHM O=C(Nc1cnn(-c2ccccc2Br)c1)c1cccc(O)c1[O-] ZINC000776676523 724169413 /nfs/dbraw/zinc/16/94/13/724169413.db2.gz NAPREUVUXWFFOM-UHFFFAOYSA-N -1 3 374.194 3.298 20 10 FGCDHM CNC(=O)OC[C@@H]1CCCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000809779367 725268027 /nfs/dbraw/zinc/26/80/27/725268027.db2.gz KWISUATUXSXTLH-ZDUSSCGKSA-N -1 3 371.275 3.174 20 10 FGCDHM COc1ccc(N2CCCN(C(=O)c3cc([O-])ccc3Cl)CC2)cc1 ZINC000810180784 725295137 /nfs/dbraw/zinc/29/51/37/725295137.db2.gz LNGGOAANGLTKNU-UHFFFAOYSA-N -1 3 360.841 3.407 20 10 FGCDHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000810207720 725296751 /nfs/dbraw/zinc/29/67/51/725296751.db2.gz NOQBDWSMQHFHMK-ZDUSSCGKSA-N -1 3 360.841 3.373 20 10 FGCDHM O=C(CNCc1cc(Cl)c(F)cc1[O-])Nc1ccc(F)c(F)c1F ZINC000816561013 727176115 /nfs/dbraw/zinc/17/61/15/727176115.db2.gz IVSNHIHKSLEDNM-UHFFFAOYSA-N -1 3 362.710 3.330 20 10 FGCDHM CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NCc1cc(Cl)ccc1[O-] ZINC000848576038 731184541 /nfs/dbraw/zinc/18/45/41/731184541.db2.gz GBETVGZOUWFIHF-MRXNPFEDSA-N -1 3 362.857 3.483 20 10 FGCDHM Cc1ccc(S(=O)(=O)[N-]CCCSc2nccs2)c(F)c1F ZINC000858981230 732265762 /nfs/dbraw/zinc/26/57/62/732265762.db2.gz XAMZERPXGGTARB-UHFFFAOYSA-N -1 3 364.464 3.190 20 10 FGCDHM CCC(CC)C(=O)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862220222 732788324 /nfs/dbraw/zinc/78/83/24/732788324.db2.gz SLJYHJMYRHPFKH-UHFFFAOYSA-N -1 3 369.303 3.235 20 10 FGCDHM COC(=O)c1cnc([C@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)s1 ZINC000877643768 736698748 /nfs/dbraw/zinc/69/87/48/736698748.db2.gz IRRSECAFYHVRAC-NSHDSACASA-N -1 3 368.405 3.293 20 10 FGCDHM CSCC[C@H](NCc1cc(F)cc(F)c1[O-])c1nnc2ccccn21 ZINC000882881399 737500284 /nfs/dbraw/zinc/50/02/84/737500284.db2.gz LKGIKEKWONORDE-AWEZNQCLSA-N -1 3 364.421 3.297 20 10 FGCDHM C[C@@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1c([O-])cccc1F ZINC000886587965 739272798 /nfs/dbraw/zinc/27/27/98/739272798.db2.gz IVMINLSNZICESU-LLVKDONJSA-N -1 3 350.415 3.027 20 10 FGCDHM Cn1nc(CNCc2cccc(Br)c2[O-])cc1C(F)(F)F ZINC000898023306 742735065 /nfs/dbraw/zinc/73/50/65/742735065.db2.gz VGIQKLCQENZKII-UHFFFAOYSA-N -1 3 364.165 3.197 20 10 FGCDHM Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCc1c([O-])cccc1F ZINC000928705519 760241734 /nfs/dbraw/zinc/24/17/34/760241734.db2.gz JDGAZDMVNHNUCA-LLVKDONJSA-N -1 3 350.415 3.120 20 10 FGCDHM O=C(c1cccc(NCc2c([O-])cccc2Cl)c1)N1CCC[C@@H](O)C1 ZINC000126971225 494870953 /nfs/dbraw/zinc/87/09/53/494870953.db2.gz GKQSFXWKIAREAF-OAHLLOKOSA-N -1 3 360.841 3.255 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1c(C)nn(C)c1C ZINC000137251130 495432721 /nfs/dbraw/zinc/43/27/21/495432721.db2.gz MGJDZWNQGBVPAL-UHFFFAOYSA-N -1 3 366.259 3.167 20 10 FGCDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2cn(-c3ccccc3)nn2)c1[O-] ZINC000185476083 495592065 /nfs/dbraw/zinc/59/20/65/495592065.db2.gz BZWWOMRJMNOOGV-LBPRGKRZSA-N -1 3 354.385 3.165 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1[O-] ZINC000179506348 495620252 /nfs/dbraw/zinc/62/02/52/495620252.db2.gz IDCJBKWNHNNBTM-ZDUSSCGKSA-N -1 3 358.417 3.109 20 10 FGCDHM C[C@@H](NCc1cccc(N(C)C)n1)c1cc(Br)ccc1[O-] ZINC000186179018 495885334 /nfs/dbraw/zinc/88/53/34/495885334.db2.gz ABKDTHRTAAIAEO-LLVKDONJSA-N -1 3 350.260 3.467 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCSC[C@H]2c2nccs2)c1[O-] ZINC000187052610 496271673 /nfs/dbraw/zinc/27/16/73/496271673.db2.gz LMEHJAFORULHQQ-AWEZNQCLSA-N -1 3 352.456 3.481 20 10 FGCDHM C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2[O-])CC[S@](=O)C1 ZINC000277402640 496762300 /nfs/dbraw/zinc/76/23/00/496762300.db2.gz HWHQZOKIVIZJPY-CPJLOUKISA-N -1 3 359.491 3.172 20 10 FGCDHM C[C@@H](NCc1ccccc1CN1CCCC1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273387117 496791107 /nfs/dbraw/zinc/79/11/07/496791107.db2.gz JUZVQIUIZZCSRZ-CQSZACIVSA-N -1 3 369.421 3.274 20 10 FGCDHM CC1(C)C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C(C)(C)O1 ZINC000277508020 496797424 /nfs/dbraw/zinc/79/74/24/496797424.db2.gz VZWAIAZSTVOZKD-CQSZACIVSA-N -1 3 366.845 3.156 20 10 FGCDHM COc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1OC ZINC000273426692 496802968 /nfs/dbraw/zinc/80/29/68/496802968.db2.gz ULFMURKYRPNLHD-LLVKDONJSA-N -1 3 362.382 3.177 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccnc(N3CCCC3)c2)c1 ZINC000273432623 496804981 /nfs/dbraw/zinc/80/49/81/496804981.db2.gz WDSMKMIMYMXBQJ-CQSZACIVSA-N -1 3 355.438 3.025 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 ZINC000273451705 496810748 /nfs/dbraw/zinc/81/07/48/496810748.db2.gz GECSLDRXJQAPAU-GHMZBOCLSA-N -1 3 356.378 3.071 20 10 FGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000189428864 497115444 /nfs/dbraw/zinc/11/54/44/497115444.db2.gz MTPVKUAOFMPDHW-UHFFFAOYSA-N -1 3 360.435 3.030 20 10 FGCDHM COc1cc(Cl)cc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000278448903 497117363 /nfs/dbraw/zinc/11/73/63/497117363.db2.gz XNOLMOOQXTYTMF-OTYXRUKQSA-N -1 3 353.768 3.189 20 10 FGCDHM CCCOc1ccc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c([O-])c1 ZINC000278757985 497210464 /nfs/dbraw/zinc/21/04/64/497210464.db2.gz STCHPPLVBXZIBS-UHFFFAOYSA-N -1 3 356.382 3.255 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000271249955 497302554 /nfs/dbraw/zinc/30/25/54/497302554.db2.gz DHPWGTNUTOTMMN-RISCZKNCSA-N -1 3 371.275 3.254 20 10 FGCDHM COc1cc(CN(C)C(=O)c2cccc(O)c2[O-])c(SC)cc1OC ZINC000279288337 497394915 /nfs/dbraw/zinc/39/49/15/497394915.db2.gz MATQWSVNLUNSIC-UHFFFAOYSA-N -1 3 363.435 3.109 20 10 FGCDHM CCS(=O)(=O)c1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000279921018 497589251 /nfs/dbraw/zinc/58/92/51/497589251.db2.gz ADMPQXDFOCSJPF-SNVBAGLBSA-N -1 3 370.452 3.006 20 10 FGCDHM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276899640 497682092 /nfs/dbraw/zinc/68/20/92/497682092.db2.gz ITXQKVNHSAAIES-GTNSWQLSSA-N -1 3 373.403 3.160 20 10 FGCDHM COCCn1cc2c(n1)[C@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])CCC2 ZINC000364784920 498141861 /nfs/dbraw/zinc/14/18/61/498141861.db2.gz JGXTUSBPISMATI-XHDPSFHLSA-N -1 3 351.397 3.242 20 10 FGCDHM CC[C@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc(F)cc1[O-] ZINC000286147716 498305329 /nfs/dbraw/zinc/30/53/29/498305329.db2.gz OSFGZJLLYQFDTJ-IBGZPJMESA-N -1 3 372.440 3.496 20 10 FGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1ccnc(OC2CCOCC2)c1 ZINC000293610928 498428083 /nfs/dbraw/zinc/42/80/83/498428083.db2.gz LTGRYPHPHZZLMC-UHFFFAOYSA-N -1 3 366.820 3.427 20 10 FGCDHM CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000286885658 498540386 /nfs/dbraw/zinc/54/03/86/498540386.db2.gz SHHCVMZMMNPRAI-CYBMUJFWSA-N -1 3 364.442 3.007 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](OCc3c(C)noc3C)C2)c1[O-] ZINC000368834154 499337559 /nfs/dbraw/zinc/33/75/59/499337559.db2.gz LLCBBMXRBPMTRF-MRXNPFEDSA-N -1 3 362.401 3.130 20 10 FGCDHM COc1c([O-])c(CN[C@H]2CCCc3cnn(C(C)C)c32)ccc1[N+](=O)[O-] ZINC000375716330 499548373 /nfs/dbraw/zinc/54/83/73/499548373.db2.gz AZSSGNDUOURGGI-AWEZNQCLSA-N -1 3 360.414 3.254 20 10 FGCDHM Cc1cc(C(=O)N2CCCC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235344 598610417 /nfs/dbraw/zinc/61/04/17/598610417.db2.gz VKPNPXBOQOSDHT-ZDUSSCGKSA-N -1 3 364.453 3.289 20 10 FGCDHM Cc1cc(C(=O)NC2(C)CCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233525 598611823 /nfs/dbraw/zinc/61/18/23/598611823.db2.gz FWDQLFFTLKUGPH-UHFFFAOYSA-N -1 3 364.453 3.337 20 10 FGCDHM Cc1cc(C(=O)NCCCC2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233858 599391317 /nfs/dbraw/zinc/39/13/17/599391317.db2.gz HDRNWFMMNCASRG-UHFFFAOYSA-N -1 3 364.453 3.194 20 10 FGCDHM CCCN(CC(=O)NCc1ccc(NC(=O)[O-])cc1)Cc1ccccc1O ZINC000737007365 599770002 /nfs/dbraw/zinc/77/00/02/599770002.db2.gz GCEZWBDHEINRRC-UHFFFAOYSA-N -1 3 371.437 3.011 20 10 FGCDHM Cc1cc(C(=O)CSCCN(C)C)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859381 601738470 /nfs/dbraw/zinc/73/84/70/601738470.db2.gz MKPLEJUYPQRIJS-UHFFFAOYSA-N -1 3 360.479 3.270 20 10 FGCDHM CCN(Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OC)c(OC)c1 ZINC000821220510 606965955 /nfs/dbraw/zinc/96/59/55/606965955.db2.gz AXANZPKDVRZNBW-UHFFFAOYSA-N -1 3 357.389 3.050 20 10 FGCDHM CCN(Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OC)c(OC)c1 ZINC000821220510 606965957 /nfs/dbraw/zinc/96/59/57/606965957.db2.gz AXANZPKDVRZNBW-UHFFFAOYSA-N -1 3 357.389 3.050 20 10 FGCDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000091920903 700428499 /nfs/dbraw/zinc/42/84/99/700428499.db2.gz UNPIOSLWHJSJAW-GOEBONIOSA-N -1 3 353.871 3.432 20 10 FGCDHM COC(=O)c1cc(CN(C)Cc2cccc(Br)c2[O-])oc1C ZINC000122429103 700689610 /nfs/dbraw/zinc/68/96/10/700689610.db2.gz CTMSGHWVZGXHDC-UHFFFAOYSA-N -1 3 368.227 3.475 20 10 FGCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1Br ZINC000148651237 704897049 /nfs/dbraw/zinc/89/70/49/704897049.db2.gz UCSYIYOOHMUEDB-UHFFFAOYSA-N -1 3 372.240 3.273 20 10 FGCDHM CCN1C(=O)c2ccccc2N[C@H]1c1cc(O)cc(Br)c1[O-] ZINC000193501352 712893548 /nfs/dbraw/zinc/89/35/48/712893548.db2.gz RRQMKIHWKFXLQQ-OAHLLOKOSA-N -1 3 363.211 3.447 20 10 FGCDHM Cn1nc(Br)cc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000809775870 725267780 /nfs/dbraw/zinc/26/77/80/725267780.db2.gz MTNFQKOTOLQLSN-UHFFFAOYSA-N -1 3 365.058 3.485 20 10 FGCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000373979750 713889759 /nfs/dbraw/zinc/88/97/59/713889759.db2.gz ZAWSPNYDQDIWEL-PBFPGSCMSA-N -1 3 370.287 3.313 20 10 FGCDHM O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1cccc(O)c1[O-] ZINC000803654551 724457698 /nfs/dbraw/zinc/45/76/98/724457698.db2.gz KHCJESZZKJLOFT-AWEZNQCLSA-N -1 3 363.211 3.136 20 10 FGCDHM COc1cc(Br)cc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000781001458 724520763 /nfs/dbraw/zinc/52/07/63/724520763.db2.gz NKDPQVWCCZTQEK-UHFFFAOYSA-N -1 3 352.184 3.430 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CNCc2cccc3c2OCCO3)c1[O-] ZINC000733332287 722495855 /nfs/dbraw/zinc/49/58/55/722495855.db2.gz XKPAQWQUGVHWCI-UHFFFAOYSA-N -1 3 350.758 3.015 20 10 FGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000740705840 722537102 /nfs/dbraw/zinc/53/71/02/722537102.db2.gz MYTPJWAPMOMIOE-UHFFFAOYSA-N -1 3 374.340 3.002 20 10 FGCDHM CCc1cnc(N2CCN(Cc3cc(F)cc(C(C)=O)c3[O-])CC2)s1 ZINC000750827431 722782328 /nfs/dbraw/zinc/78/23/28/722782328.db2.gz YWDZITOFIBRKEE-UHFFFAOYSA-N -1 3 363.458 3.075 20 10 FGCDHM CCC1CCC(NCc2cc(F)cc(C(C)=O)c2[O-])(C(=O)OC)CC1 ZINC000755987883 722959434 /nfs/dbraw/zinc/95/94/34/722959434.db2.gz HAQUUVGODZAJLA-UHFFFAOYSA-N -1 3 351.418 3.336 20 10 FGCDHM C[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1cc(F)cc(F)c1[O-] ZINC000756370390 722963502 /nfs/dbraw/zinc/96/35/02/722963502.db2.gz GKCBEGRQBRKLSS-SSDOTTSWSA-N -1 3 360.282 3.377 20 10 FGCDHM O=C1[C@H](NCc2c([O-])ccc(Cl)c2F)CCN1Cc1ccc(F)cc1 ZINC000791007636 723205076 /nfs/dbraw/zinc/20/50/76/723205076.db2.gz OUEMDHPVOFEYKJ-OAHLLOKOSA-N -1 3 366.795 3.215 20 10 FGCDHM C[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000794826551 723547859 /nfs/dbraw/zinc/54/78/59/723547859.db2.gz CJUDXMJUUYMREO-BJOHPYRUSA-N -1 3 367.218 3.171 20 10 FGCDHM CCC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCC1 ZINC000769760882 723694405 /nfs/dbraw/zinc/69/44/05/723694405.db2.gz WHVJNBXBDWNBGT-MRXNPFEDSA-N -1 3 368.499 3.243 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000769900592 723699763 /nfs/dbraw/zinc/69/97/63/723699763.db2.gz QFZQACVQBGTVDO-ZUZCIYMTSA-N -1 3 365.779 3.383 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000769900587 723699843 /nfs/dbraw/zinc/69/98/43/723699843.db2.gz QFZQACVQBGTVDO-BONVTDFDSA-N -1 3 365.779 3.383 20 10 FGCDHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)NC(C)C)c([O-])c1O ZINC000770484423 723714893 /nfs/dbraw/zinc/71/48/93/723714893.db2.gz AAOSPKVVCDNSEG-UHFFFAOYSA-N -1 3 362.813 3.450 20 10 FGCDHM CN(C)Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1Br ZINC000787338697 725025531 /nfs/dbraw/zinc/02/55/31/725025531.db2.gz OFUNWQYQWYASOE-UHFFFAOYSA-N -1 3 365.227 3.174 20 10 FGCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)c(C)c1 ZINC000811702912 725377223 /nfs/dbraw/zinc/37/72/23/725377223.db2.gz HQBREKKFNZEPKN-UHFFFAOYSA-N -1 3 365.451 3.435 20 10 FGCDHM COc1ccc(N2CCN(Cc3c(F)ccc([O-])c3F)CC2)cc1F ZINC000816520630 727171077 /nfs/dbraw/zinc/17/10/77/727171077.db2.gz UHGUHFSDUHJKFW-UHFFFAOYSA-N -1 3 352.356 3.140 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCN(c2ccnc(F)c2)CC1 ZINC000824805099 729359687 /nfs/dbraw/zinc/35/96/87/729359687.db2.gz DZBLSYCJQOSZAA-UHFFFAOYSA-N -1 3 366.234 3.011 20 10 FGCDHM Cc1cc([O-])c(CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1Cl ZINC000824933559 729365539 /nfs/dbraw/zinc/36/55/39/729365539.db2.gz HDMZRBDJVFOJOS-WMLDXEAASA-N -1 3 351.830 3.272 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCOc2cc(O)ccc2C1 ZINC000825886190 729398459 /nfs/dbraw/zinc/39/84/59/729398459.db2.gz NASYIKNAWHXBHU-UHFFFAOYSA-N -1 3 350.212 3.255 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000825955782 729400935 /nfs/dbraw/zinc/40/09/35/729400935.db2.gz RXINBBSPQBSXGA-CYBMUJFWSA-N -1 3 356.651 3.452 20 10 FGCDHM Cc1cc(C)cc(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826264761 729406854 /nfs/dbraw/zinc/40/68/54/729406854.db2.gz ZNASSBBRXOWPJI-UHFFFAOYSA-N -1 3 373.873 3.450 20 10 FGCDHM Cc1cc(C)cc(NC(=S)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826264761 729406856 /nfs/dbraw/zinc/40/68/56/729406856.db2.gz ZNASSBBRXOWPJI-UHFFFAOYSA-N -1 3 373.873 3.450 20 10 FGCDHM COC(=O)c1nc(CNCc2c([O-])cc(C)cc2Cl)ccc1Cl ZINC000826977755 729420550 /nfs/dbraw/zinc/42/05/50/729420550.db2.gz NSPDWLYCXBUSGD-UHFFFAOYSA-N -1 3 355.221 3.479 20 10 FGCDHM Cc1cc([O-])c(CN(C)Cc2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC000840917027 730191222 /nfs/dbraw/zinc/19/12/22/730191222.db2.gz FKRLRNQQAYEZON-UHFFFAOYSA-N -1 3 353.871 3.390 20 10 FGCDHM COc1ccc(N2CC[C@@H](NC(=O)c3cc(SC)ccc3[O-])C2)cc1 ZINC000855224288 731908784 /nfs/dbraw/zinc/90/87/84/731908784.db2.gz FAPSTTMQSNMNAI-CYBMUJFWSA-N -1 3 358.463 3.131 20 10 FGCDHM C[C@](CO)(NCc1ccc(F)c(F)c1[O-])c1ccc(Br)cc1 ZINC000877515471 736677003 /nfs/dbraw/zinc/67/70/03/736677003.db2.gz GGGSQFWWJFFYID-MRXNPFEDSA-N -1 3 372.209 3.430 20 10 FGCDHM COC(=O)c1cc(C2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)no1 ZINC000877704713 736708510 /nfs/dbraw/zinc/70/85/10/736708510.db2.gz SQPRAECUUPVBDK-UHFFFAOYSA-N -1 3 368.792 3.339 20 10 FGCDHM C[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000903396424 743844569 /nfs/dbraw/zinc/84/45/69/743844569.db2.gz LVYBECZIJYQOLM-ZJUUUORDSA-N -1 3 369.252 3.124 20 10 FGCDHM CCN(Cc1cn(C2CC2)nn1)Cc1cc(Br)ccc1[O-] ZINC000906272619 744110674 /nfs/dbraw/zinc/11/06/74/744110674.db2.gz HONJRGCJYDKBDS-UHFFFAOYSA-N -1 3 351.248 3.103 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNCc2nc3c(s2)COCC3)c1 ZINC000922961678 759041339 /nfs/dbraw/zinc/04/13/39/759041339.db2.gz SBFFMWVURBDSFG-UHFFFAOYSA-N -1 3 369.284 3.282 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000079409685 494450099 /nfs/dbraw/zinc/45/00/99/494450099.db2.gz IZMPFEAFNLARDM-CYBMUJFWSA-N -1 3 366.433 3.081 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCSC3(CCOCC3)C2)c1[O-] ZINC000186486683 496016513 /nfs/dbraw/zinc/01/65/13/496016513.db2.gz XWCBOPNWJFPJTJ-UHFFFAOYSA-N -1 3 358.847 3.052 20 10 FGCDHM Cc1cc(C(=O)N2CCc3c(nc[n-]c3=O)C2)c(C)n1-c1ccccc1C ZINC000273200325 496737565 /nfs/dbraw/zinc/73/75/65/496737565.db2.gz IEVLBGGXHWNASD-UHFFFAOYSA-N -1 3 362.433 3.097 20 10 FGCDHM C[C@@]1(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCCS1 ZINC000277333550 496739087 /nfs/dbraw/zinc/73/90/87/496739087.db2.gz YPXOQXKWCVUAOH-INIZCTEOSA-N -1 3 354.859 3.096 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccccc2SCCC(N)=O)c1 ZINC000273389794 496792031 /nfs/dbraw/zinc/79/20/31/496792031.db2.gz DLBOXJBQHREVKJ-LBPRGKRZSA-N -1 3 374.462 3.319 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2c2nc(C)cs2)c1[O-] ZINC000189303807 497075061 /nfs/dbraw/zinc/07/50/61/497075061.db2.gz NBZARMISSKLHKV-HNNXBMFYSA-N -1 3 350.415 3.072 20 10 FGCDHM CCCOc1ccc(CN[C@@H](C(=O)OC)c2ccc(OC)cc2)c([O-])c1 ZINC000275127068 497240902 /nfs/dbraw/zinc/24/09/02/497240902.db2.gz KUIQBTAVSYMCNJ-LJQANCHMSA-N -1 3 359.422 3.194 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000189920611 497293774 /nfs/dbraw/zinc/29/37/74/497293774.db2.gz KYWUJRUWAPDBOJ-OAHLLOKOSA-N -1 3 367.323 3.330 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000271249957 497302907 /nfs/dbraw/zinc/30/29/07/497302907.db2.gz DHPWGTNUTOTMMN-SMDDNHRTSA-N -1 3 371.275 3.254 20 10 FGCDHM Cc1cc(Br)cc(CN2C[C@@H](C)OC3(CCOCC3)C2)c1[O-] ZINC000280365241 497731248 /nfs/dbraw/zinc/73/12/48/497731248.db2.gz DCPQWJJJXOMLMK-CYBMUJFWSA-N -1 3 370.287 3.233 20 10 FGCDHM CC[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000285775552 498197991 /nfs/dbraw/zinc/19/79/91/498197991.db2.gz TUYIREKCFQRQDV-MRXNPFEDSA-N -1 3 366.458 3.023 20 10 FGCDHM COc1c([O-])c(CN[C@@H](CCO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000290100356 498428432 /nfs/dbraw/zinc/42/84/32/498428432.db2.gz HPPOXYIZLWNZPU-AWEZNQCLSA-N -1 3 366.801 3.176 20 10 FGCDHM CS(=O)(=O)Cc1ccc(CNCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000293708185 498462649 /nfs/dbraw/zinc/46/26/49/498462649.db2.gz UJFFOYSAYZJVBH-UHFFFAOYSA-N -1 3 357.834 3.019 20 10 FGCDHM COc1cccc([C@@H](NC(=O)c2cccc(O)c2[O-])c2cccnc2)c1 ZINC000365943761 498706977 /nfs/dbraw/zinc/70/69/77/498706977.db2.gz FSJBPUWYHLIEIJ-GOSISDBHSA-N -1 3 350.374 3.021 20 10 FGCDHM C[C@@H](NCc1ccncc1OC[C@@H]1CCOC1)c1ccc(F)c(F)c1[O-] ZINC000287408557 498745495 /nfs/dbraw/zinc/74/54/95/498745495.db2.gz RHZXJWTVLCPFBE-CHWSQXEVSA-N -1 3 364.392 3.332 20 10 FGCDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000291098944 498794310 /nfs/dbraw/zinc/79/43/10/498794310.db2.gz QWQGDSUYWTYQMM-CYBMUJFWSA-N -1 3 370.409 3.071 20 10 FGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000295432056 499016475 /nfs/dbraw/zinc/01/64/75/499016475.db2.gz TWAVTRYQJVVDPO-NSHDSACASA-N -1 3 350.825 3.102 20 10 FGCDHM C[C@@H](Nc1cccc2c1CCN(S(C)(=O)=O)C2)c1cc(F)ccc1[O-] ZINC000363846909 499023051 /nfs/dbraw/zinc/02/30/51/499023051.db2.gz CLPDYBVUYWLAFQ-GFCCVEGCSA-N -1 3 364.442 3.022 20 10 FGCDHM Cc1ccc(C(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c([O-])c1O ZINC000291656812 499025350 /nfs/dbraw/zinc/02/53/50/499025350.db2.gz CKUPFJWLDKUFEM-UONOGXRCSA-N -1 3 373.409 3.008 20 10 FGCDHM CCCOc1ccc(CN[C@H](c2nc(C)no2)C2CCOCC2)c([O-])c1 ZINC000370158409 499189764 /nfs/dbraw/zinc/18/97/64/499189764.db2.gz CLHFEYQZNAVLCE-SFHVURJKSA-N -1 3 361.442 3.130 20 10 FGCDHM COc1c([O-])c(CN2CCC(O)(c3ccccc3C)CC2)ccc1[N+](=O)[O-] ZINC000370478340 499224096 /nfs/dbraw/zinc/22/40/96/499224096.db2.gz UEJZIYPPKIYGGV-UHFFFAOYSA-N -1 3 372.421 3.101 20 10 FGCDHM C[C@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000368211913 499274426 /nfs/dbraw/zinc/27/44/26/499274426.db2.gz JYAUKRCAEPLGJB-HZMBPMFUSA-N -1 3 373.280 3.130 20 10 FGCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436577279 501161139 /nfs/dbraw/zinc/16/11/39/501161139.db2.gz SUQHCUMWOGFUHV-UHFFFAOYSA-N -1 3 352.434 3.376 20 10 FGCDHM [O-]c1cc(Br)ccc1CNC[C@@H](n1cccn1)C(F)(F)F ZINC000529636877 504749518 /nfs/dbraw/zinc/74/95/18/504749518.db2.gz KNJAYWITAPJKEV-GFCCVEGCSA-N -1 3 364.165 3.244 20 10 FGCDHM Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235209 598243147 /nfs/dbraw/zinc/24/31/47/598243147.db2.gz RBUHPSIPVQNDPE-SGTLLEGYSA-N -1 3 364.453 3.193 20 10 FGCDHM Fc1ccc(NCc2ccc(N3CCSCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000737657796 598635450 /nfs/dbraw/zinc/63/54/50/598635450.db2.gz ZRNQSNVYBGJAFC-UHFFFAOYSA-N -1 3 370.457 3.171 20 10 FGCDHM Fc1ccc(NCc2ccc(N3CCSCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000737657796 598635452 /nfs/dbraw/zinc/63/54/52/598635452.db2.gz ZRNQSNVYBGJAFC-UHFFFAOYSA-N -1 3 370.457 3.171 20 10 FGCDHM CCc1oc(C(=O)[O-])cc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000830363746 601417934 /nfs/dbraw/zinc/41/79/34/601417934.db2.gz XIZFKNYULOYWFF-MRXNPFEDSA-N -1 3 359.422 3.427 20 10 FGCDHM O=C([O-])N[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000834159372 605795474 /nfs/dbraw/zinc/79/54/74/605795474.db2.gz SRTOVGDKOFUNNB-UXHICEINSA-N -1 3 367.449 3.067 20 10 FGCDHM Fc1cc(-c2nn[n-]n2)ccc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826372173 608296184 /nfs/dbraw/zinc/29/61/84/608296184.db2.gz KRUIGKIFMNVXPJ-UHFFFAOYSA-N -1 3 356.792 3.348 20 10 FGCDHM Fc1cccc(N2CC=C(c3ccc(Cl)nc3)CC2)c1-c1nnn[n-]1 ZINC000826377248 608296603 /nfs/dbraw/zinc/29/66/03/608296603.db2.gz KQUXNRVEPNOIDN-UHFFFAOYSA-N -1 3 356.792 3.348 20 10 FGCDHM Fc1cccc(N2CC=C(c3ccc(Cl)nc3)CC2)c1-c1nn[n-]n1 ZINC000826377248 608296604 /nfs/dbraw/zinc/29/66/04/608296604.db2.gz KQUXNRVEPNOIDN-UHFFFAOYSA-N -1 3 356.792 3.348 20 10 FGCDHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(N2CCCC2)cc1 ZINC000826173077 608325404 /nfs/dbraw/zinc/32/54/04/608325404.db2.gz MDYCQJOBYBVHGE-UHFFFAOYSA-N -1 3 351.410 3.055 20 10 FGCDHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(N2CCCC2)cc1 ZINC000826173077 608325406 /nfs/dbraw/zinc/32/54/06/608325406.db2.gz MDYCQJOBYBVHGE-UHFFFAOYSA-N -1 3 351.410 3.055 20 10 FGCDHM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1ccc(Cl)s1 ZINC000030418971 695722670 /nfs/dbraw/zinc/72/26/70/695722670.db2.gz FDFLZCMUOZDMBQ-UHFFFAOYSA-N -1 3 356.900 3.480 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000092662033 700439396 /nfs/dbraw/zinc/43/93/96/700439396.db2.gz SXHSQFWQLOTWOL-HNNXBMFYSA-N -1 3 370.287 3.315 20 10 FGCDHM O=C([N-][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)C(F)F ZINC000176943198 705597817 /nfs/dbraw/zinc/59/78/17/705597817.db2.gz VMYALEMSYPSIIO-VIFPVBQESA-N -1 3 370.293 3.273 20 10 FGCDHM O=C(NCC1CC1)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000179342939 705698289 /nfs/dbraw/zinc/69/82/89/705698289.db2.gz VPWZPQLJQZHOSZ-LBPRGKRZSA-N -1 3 357.281 3.437 20 10 FGCDHM CCC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000180366586 705737234 /nfs/dbraw/zinc/73/72/34/705737234.db2.gz DVKNVEJUWCRKEO-MRXNPFEDSA-N -1 3 362.451 3.035 20 10 FGCDHM Cc1ccc(I)cc1NC(=O)c1cccc(O)c1[O-] ZINC000311531520 713801950 /nfs/dbraw/zinc/80/19/50/713801950.db2.gz HALGADSHWVOIAI-UHFFFAOYSA-N -1 3 369.158 3.263 20 10 FGCDHM COC(=O)C(C)(C)[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000779603828 724419151 /nfs/dbraw/zinc/41/91/51/724419151.db2.gz DSHODHJPNRURCQ-GFCCVEGCSA-N -1 3 370.833 3.365 20 10 FGCDHM COC(=O)CN(Cc1ccc(N(C)C)cc1)Cc1cc(Cl)ccc1[O-] ZINC000769382252 723683826 /nfs/dbraw/zinc/68/38/26/723683826.db2.gz WNVAPUIUWXUQSG-UHFFFAOYSA-N -1 3 362.857 3.287 20 10 FGCDHM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc(O)c1[O-] ZINC000803637467 724457196 /nfs/dbraw/zinc/45/71/96/724457196.db2.gz MSYWPRSPLYRSHS-UHFFFAOYSA-N -1 3 353.128 3.021 20 10 FGCDHM COc1cc[n-]c(=NNC(=S)Nc2c(Cl)ccc(C)c2Cl)n1 ZINC000728444862 722451762 /nfs/dbraw/zinc/45/17/62/722451762.db2.gz JTLIIEOUTUQFLA-UHFFFAOYSA-N -1 3 358.254 3.414 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN(CCC(N)=O)c2cccc(C)c2)c1[O-] ZINC000748049506 722673061 /nfs/dbraw/zinc/67/30/61/722673061.db2.gz FACKZJNMTQOEEY-UHFFFAOYSA-N -1 3 360.841 3.439 20 10 FGCDHM COc1cc[n-]c(=NNC(=S)Nc2ccccc2-c2ccccc2)n1 ZINC000750989344 722789175 /nfs/dbraw/zinc/78/91/75/722789175.db2.gz SXYVUWSQKSUKJV-UHFFFAOYSA-N -1 3 351.435 3.466 20 10 FGCDHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2CC)c1 ZINC000790416150 723137761 /nfs/dbraw/zinc/13/77/61/723137761.db2.gz TZOHJENSSGHDCM-UHFFFAOYSA-N -1 3 363.435 3.241 20 10 FGCDHM CC(C)(C)OC(=O)[C@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000769497819 723687394 /nfs/dbraw/zinc/68/73/94/723687394.db2.gz CIUROAYEWDSZMP-CYBMUJFWSA-N -1 3 356.260 3.461 20 10 FGCDHM C[C@@H]1CN(C[C@@H]2CCCN2Cc2cc(Cl)cc(F)c2[O-])C[C@H](C)O1 ZINC000775660701 724018204 /nfs/dbraw/zinc/01/82/04/724018204.db2.gz GWBDGTNRMRZTJI-ZENOOKHLSA-N -1 3 356.869 3.258 20 10 FGCDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1Cl ZINC000788478678 725066861 /nfs/dbraw/zinc/06/68/61/725066861.db2.gz TVZAFNNKULDEEK-UHFFFAOYSA-N -1 3 355.799 3.187 20 10 FGCDHM O=C(NC1CC1)OC[C@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F ZINC000811511710 725371475 /nfs/dbraw/zinc/37/14/75/725371475.db2.gz RJUFERWBAKNGQG-GFCCVEGCSA-N -1 3 356.825 3.428 20 10 FGCDHM C[C@H](Nc1ccc(OCC(N)=O)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815602231 727086038 /nfs/dbraw/zinc/08/60/38/727086038.db2.gz SNWROOLZDNIKIU-JTQLQIEISA-N -1 3 354.328 3.448 20 10 FGCDHM CCOC(=O)C[C@@H](NCc1ccc(Br)cc1[O-])C(F)(F)F ZINC000827001014 729421257 /nfs/dbraw/zinc/42/12/57/729421257.db2.gz RJHPLCJEADBPOB-LLVKDONJSA-N -1 3 370.165 3.128 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCN(CC(F)(F)F)C[C@@H](C)C2)c1[O-] ZINC000832285754 729702562 /nfs/dbraw/zinc/70/25/62/729702562.db2.gz WVNAPUSIFARGNC-NSHDSACASA-N -1 3 362.367 3.050 20 10 FGCDHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)C(=O)NCCc1ccccc1 ZINC000835073475 729856672 /nfs/dbraw/zinc/85/66/72/729856672.db2.gz QMVKZHSUJGDVJG-GFCCVEGCSA-N -1 3 350.821 3.022 20 10 FGCDHM Cc1cc([O-])c(CN2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC000840937137 730193911 /nfs/dbraw/zinc/19/39/11/730193911.db2.gz HXCQDWHOSKYDGK-CYBMUJFWSA-N -1 3 370.877 3.080 20 10 FGCDHM COC(=O)C1C[C@@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@H](C)C1 ZINC000860189716 732466508 /nfs/dbraw/zinc/46/65/08/732466508.db2.gz WHJUFSZMFRICQL-GHMZBOCLSA-N -1 3 353.846 3.410 20 10 FGCDHM COC(=O)[C@@H](Cc1cccc(OC)c1)NCc1cc(Cl)c(C)cc1[O-] ZINC000862474476 732839490 /nfs/dbraw/zinc/83/94/90/732839490.db2.gz MAMUBBSIWWDQQJ-QGZVFWFLSA-N -1 3 363.841 3.237 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(Br)cn2)c1 ZINC000866569112 733368170 /nfs/dbraw/zinc/36/81/70/733368170.db2.gz MEHPNKDYKNYUGU-JTQLQIEISA-N -1 3 365.227 3.187 20 10 FGCDHM O=C(c1ccccc1Cl)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000890480317 739803878 /nfs/dbraw/zinc/80/38/78/739803878.db2.gz ABHICGAQAJAXPA-UHFFFAOYSA-N -1 3 359.809 3.486 20 10 FGCDHM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H](c1ccco1)N1CCCC1 ZINC000891519981 739910747 /nfs/dbraw/zinc/91/07/47/739910747.db2.gz BNJQBKDLJAFNMD-HNNXBMFYSA-N -1 3 363.845 3.275 20 10 FGCDHM [O-]c1c(CN2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)ccc(F)c1F ZINC000897613600 742694980 /nfs/dbraw/zinc/69/49/80/742694980.db2.gz IZFFBHCUVWWYCY-SNVBAGLBSA-N -1 3 359.298 3.469 20 10 FGCDHM Cc1noc([C@H]2CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)n1 ZINC000091832507 494696996 /nfs/dbraw/zinc/69/69/96/494696996.db2.gz COOYCVMALUHHKN-JTQLQIEISA-N -1 3 352.778 3.025 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(OC3CCOCC3)CC2)c1[O-] ZINC000093140317 494833316 /nfs/dbraw/zinc/83/33/16/494833316.db2.gz MGTUKTGEPOILOE-UHFFFAOYSA-N -1 3 370.833 3.114 20 10 FGCDHM [O-]c1cc2c(cc1CN[C@@H](c1ncon1)c1ccc(Cl)cc1)OCO2 ZINC000122660333 495011186 /nfs/dbraw/zinc/01/11/86/495011186.db2.gz SRRGONYAGNKPNB-MRXNPFEDSA-N -1 3 359.769 3.037 20 10 FGCDHM COc1ccc([C@@H]2CCCN2C(=O)CN(C)Cc2ccccc2[O-])cc1 ZINC000111236366 495053014 /nfs/dbraw/zinc/05/30/14/495053014.db2.gz BEYJMUJSCRKJLL-IBGZPJMESA-N -1 3 354.450 3.196 20 10 FGCDHM C[C@@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccnc1 ZINC000134265639 495128260 /nfs/dbraw/zinc/12/82/60/495128260.db2.gz JOXKNQDQQLNASC-KDOFPFPSSA-N -1 3 373.884 3.325 20 10 FGCDHM COc1ccc(N[C@H](C)c2cc(F)ccc2[O-])cc1OCC(=O)NC1CC1 ZINC000186266283 495920687 /nfs/dbraw/zinc/92/06/87/495920687.db2.gz ODJQMXRIMBYXCX-GFCCVEGCSA-N -1 3 374.412 3.370 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc(C(=O)N(C)C)ccc2C)c1 ZINC000273431189 496803749 /nfs/dbraw/zinc/80/37/49/496803749.db2.gz LEAAUICZSLCNMC-ZDUSSCGKSA-N -1 3 356.422 3.362 20 10 FGCDHM CC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1[O-])c1nnc2n1CCCCC2 ZINC000273610961 496853223 /nfs/dbraw/zinc/85/32/23/496853223.db2.gz VUDTZHHJHJUMEJ-CJNGLKHVSA-N -1 3 372.469 3.299 20 10 FGCDHM O=S1(=O)CCCN1c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000265121332 497051596 /nfs/dbraw/zinc/05/15/96/497051596.db2.gz DMBKATXMOQIZHI-UHFFFAOYSA-N -1 3 352.843 3.198 20 10 FGCDHM CCOc1cc(CN(C)C(=O)c2cccc(O)c2[O-])ccc1OC(F)F ZINC000275036018 497224740 /nfs/dbraw/zinc/22/47/40/497224740.db2.gz QOHRYMBJCBGESN-UHFFFAOYSA-N -1 3 367.348 3.370 20 10 FGCDHM CC[C@@H](C)NC(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000280659878 497845784 /nfs/dbraw/zinc/84/57/84/497845784.db2.gz KXVXMRNUQXIRRP-GFCCVEGCSA-N -1 3 373.409 3.449 20 10 FGCDHM COc1cccc(NC2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)c1 ZINC000364301574 497887415 /nfs/dbraw/zinc/88/74/15/497887415.db2.gz NGHUCFCNOAPWNG-UHFFFAOYSA-N -1 3 356.422 3.132 20 10 FGCDHM Cc1cc(N(C)C)ccc1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000285847865 498217863 /nfs/dbraw/zinc/21/78/63/498217863.db2.gz DKPXBLMYWSKRDI-UHFFFAOYSA-N -1 3 373.840 3.389 20 10 FGCDHM C[C@@H](NCc1ccncc1OCC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000281660769 498228876 /nfs/dbraw/zinc/22/88/76/498228876.db2.gz QFQGCCKGPGJDMK-SNVBAGLBSA-N -1 3 371.315 3.487 20 10 FGCDHM O=C(NC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1)c1ccoc1 ZINC000365242184 498369757 /nfs/dbraw/zinc/36/97/57/498369757.db2.gz NUCCCVWRMAORCO-UHFFFAOYSA-N -1 3 352.793 3.172 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1[O-] ZINC000286711042 498483894 /nfs/dbraw/zinc/48/38/94/498483894.db2.gz WTAOSJYHLHFTBU-FZMZJTMJSA-N -1 3 365.779 3.241 20 10 FGCDHM COc1c([O-])c(CN[C@H](c2ccccc2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000294059526 498576186 /nfs/dbraw/zinc/57/61/86/498576186.db2.gz XPZQDQPBJJCTTD-LJQANCHMSA-N -1 3 372.421 3.303 20 10 FGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000294256130 498635280 /nfs/dbraw/zinc/63/52/80/498635280.db2.gz NNRSQVSBLNOCKN-UHFFFAOYSA-N -1 3 368.811 3.450 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H](C)[C@H](C)OC ZINC000290956357 498735160 /nfs/dbraw/zinc/73/51/60/498735160.db2.gz ACKXXZOQPYHZKZ-MNOVXSKESA-N -1 3 359.264 3.110 20 10 FGCDHM CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000295450505 499021604 /nfs/dbraw/zinc/02/16/04/499021604.db2.gz AXLYMUGILURHRX-UHFFFAOYSA-N -1 3 359.382 3.116 20 10 FGCDHM C[C@@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000367085844 499146783 /nfs/dbraw/zinc/14/67/83/499146783.db2.gz RNIDMSQSHCSWDX-WBMJQRKESA-N -1 3 360.841 3.336 20 10 FGCDHM COc1cc(Cl)cc(CN2CCCC[C@H]2CN2CCCC2=O)c1[O-] ZINC000368623234 499314684 /nfs/dbraw/zinc/31/46/84/499314684.db2.gz POQMBILJUNHWMA-HNNXBMFYSA-N -1 3 352.862 3.031 20 10 FGCDHM Cc1cc(Br)cc(CN2CCn3c(nnc3C(C)C)C2)c1[O-] ZINC000375851514 499562320 /nfs/dbraw/zinc/56/23/20/499562320.db2.gz RPGKAPSGAQZCHR-UHFFFAOYSA-N -1 3 365.275 3.194 20 10 FGCDHM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235148 598243187 /nfs/dbraw/zinc/24/31/87/598243187.db2.gz RBUHPSIPVQNDPE-KPZWWZAWSA-N -1 3 364.453 3.193 20 10 FGCDHM COc1ccc(N2CCC(Nc3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000737099165 598352641 /nfs/dbraw/zinc/35/26/41/598352641.db2.gz JMWXDGGFJFORMC-UHFFFAOYSA-N -1 3 368.416 3.095 20 10 FGCDHM CC[C@@H](C)N(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736323877 598611465 /nfs/dbraw/zinc/61/14/65/598611465.db2.gz ZIJCJHQITAJMDQ-GFCCVEGCSA-N -1 3 352.442 3.145 20 10 FGCDHM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000827718761 600743179 /nfs/dbraw/zinc/74/31/79/600743179.db2.gz XQGFRMFMRNJVGC-IFXJQAMLSA-N -1 3 358.413 3.139 20 10 FGCDHM COc1ccc([C@@H](CO)N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000093415439 700451510 /nfs/dbraw/zinc/45/15/10/700451510.db2.gz RIXJNNUJURUYEN-MRXNPFEDSA-N -1 3 366.801 3.128 20 10 FGCDHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000108403574 700526093 /nfs/dbraw/zinc/52/60/93/700526093.db2.gz JQVPGCRSUUPWSO-UHFFFAOYSA-N -1 3 363.483 3.006 20 10 FGCDHM COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000132799352 700831483 /nfs/dbraw/zinc/83/14/83/700831483.db2.gz KGMZPNGGQXXQSG-SECBINFHSA-N -1 3 359.806 3.233 20 10 FGCDHM Cc1ccc(C(=O)Nc2nnc(Cc3ccccc3F)s2)c([O-])c1O ZINC000182405337 705839245 /nfs/dbraw/zinc/83/92/45/705839245.db2.gz GNAYMFIQEYGDMK-UHFFFAOYSA-N -1 3 359.382 3.240 20 10 FGCDHM CC(C)(C)OC(=O)NCC(F)(F)CNCc1c([O-])cccc1Cl ZINC000230942692 713577669 /nfs/dbraw/zinc/57/76/69/713577669.db2.gz ZZYMULPSGQTCJO-UHFFFAOYSA-N -1 3 350.793 3.295 20 10 FGCDHM CC[C@H]1C[C@@H](CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])CCO1 ZINC000780758659 724498787 /nfs/dbraw/zinc/49/87/87/724498787.db2.gz VPQUOAQHGPBLOI-BBRMVZONSA-N -1 3 355.862 3.226 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(C3(C)OCCO3)CC2)c1[O-] ZINC000760898740 723102991 /nfs/dbraw/zinc/10/29/91/723102991.db2.gz JCYBTCDGQSROCR-UHFFFAOYSA-N -1 3 353.846 3.223 20 10 FGCDHM COCCn1cc2c(n1)[C@@H](NCc1cc(Cl)cc(F)c1[O-])CCC2 ZINC000761227274 723134726 /nfs/dbraw/zinc/13/47/26/723134726.db2.gz YVGHOMTVNSVNID-HNNXBMFYSA-N -1 3 353.825 3.195 20 10 FGCDHM CN(Cc1cnn(-c2ccccc2)n1)Cc1cc(Br)ccc1[O-] ZINC000768782405 723667077 /nfs/dbraw/zinc/66/70/77/723667077.db2.gz RHFVOERFHGUWBY-UHFFFAOYSA-N -1 3 373.254 3.367 20 10 FGCDHM CCCC(=O)NC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000768881318 723670822 /nfs/dbraw/zinc/67/08/22/723670822.db2.gz LBSPTUGGFYTNBI-UHFFFAOYSA-N -1 3 355.276 3.035 20 10 FGCDHM COC(=O)c1ccc2c(c1)CN(Cc1cc(Br)ccc1[O-])C2 ZINC000769368234 723683553 /nfs/dbraw/zinc/68/35/53/723683553.db2.gz CJRDFEHMVBMRSM-UHFFFAOYSA-N -1 3 362.223 3.457 20 10 FGCDHM COc1cc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)ccc1O ZINC000797819424 723866008 /nfs/dbraw/zinc/86/60/08/723866008.db2.gz ITMXKRBUMMSXMW-UHFFFAOYSA-N -1 3 351.424 3.236 20 10 FGCDHM COc1c([O-])c(CNc2ccc3c(c2)OC(F)(F)O3)ccc1[N+](=O)[O-] ZINC000774977423 723947266 /nfs/dbraw/zinc/94/72/66/723947266.db2.gz PIXYDDJVSGEXKD-UHFFFAOYSA-N -1 3 354.265 3.243 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697340 725260041 /nfs/dbraw/zinc/26/00/41/725260041.db2.gz FDASZJBPMYZLOY-QWRGUYRKSA-N -1 3 368.193 3.147 20 10 FGCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2[O-])[C@@H](C(F)F)C1 ZINC000809784459 725268609 /nfs/dbraw/zinc/26/86/09/725268609.db2.gz VOXSDYMRIJNWCV-CYBMUJFWSA-N -1 3 360.376 3.218 20 10 FGCDHM COc1ccccc1N(CCO)Cc1cc(C)cc(Br)c1[O-] ZINC000809792843 725269332 /nfs/dbraw/zinc/26/93/32/725269332.db2.gz JEGFONHGUAHFQE-UHFFFAOYSA-N -1 3 366.255 3.471 20 10 FGCDHM CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816481273 727166464 /nfs/dbraw/zinc/16/64/64/727166464.db2.gz OMIIESRDIIIIDY-UHFFFAOYSA-N -1 3 368.811 3.462 20 10 FGCDHM C[C@@H](N1CCN(Cc2ccc(Br)cc2[O-])CC1)C(F)(F)F ZINC000824913080 729364704 /nfs/dbraw/zinc/36/47/04/729364704.db2.gz HIONLQUULLQEPN-SNVBAGLBSA-N -1 3 367.209 3.223 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ccc(Br)cn1 ZINC000837271921 730013256 /nfs/dbraw/zinc/01/32/56/730013256.db2.gz VGBBTKFXOJRCOR-ZDUSSCGKSA-N -1 3 363.211 3.233 20 10 FGCDHM O=C([O-])C1CCC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000840994522 730201751 /nfs/dbraw/zinc/20/17/51/730201751.db2.gz MLWCNBDKHZWGNS-IMRCBTMISA-N -1 3 366.889 3.243 20 10 FGCDHM CCCc1cc(=O)n2nc(NCc3cc(Cl)ccc3[O-])sc2n1 ZINC000845708563 730885601 /nfs/dbraw/zinc/88/56/01/730885601.db2.gz GXWXRNSKFHKSII-UHFFFAOYSA-N -1 3 350.831 3.075 20 10 FGCDHM COc1c([O-])c(CN2C[C@@H](C)OC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000848928951 731222101 /nfs/dbraw/zinc/22/21/01/731222101.db2.gz QKFHSPFTDZRJGW-CYBMUJFWSA-N -1 3 350.415 3.233 20 10 FGCDHM [O-]c1cccc(Br)c1CN1CCN(c2ccccc2O)CC1 ZINC000862212911 732787107 /nfs/dbraw/zinc/78/71/07/732787107.db2.gz WAGWBAWJNFJOPP-UHFFFAOYSA-N -1 3 363.255 3.183 20 10 FGCDHM COC(=O)c1cc(CN(C)Cc2c([O-])cccc2Br)oc1C ZINC000862216860 732787925 /nfs/dbraw/zinc/78/79/25/732787925.db2.gz NJBLTMLLJMVELE-UHFFFAOYSA-N -1 3 368.227 3.475 20 10 FGCDHM [O-]c1cccc(Br)c1CN(CCO)Cc1cccnc1Cl ZINC000862352576 732813973 /nfs/dbraw/zinc/81/39/73/732813973.db2.gz DYJUUQPUPXVNHG-UHFFFAOYSA-N -1 3 371.662 3.198 20 10 FGCDHM CN(CCNC(=O)OC(C)(C)C)Cc1c([O-])cccc1Br ZINC000862388831 732821781 /nfs/dbraw/zinc/82/17/81/732821781.db2.gz KURRNYSKLVRUIS-UHFFFAOYSA-N -1 3 359.264 3.111 20 10 FGCDHM CC(C)NS(=O)(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000863984867 733020996 /nfs/dbraw/zinc/02/09/96/733020996.db2.gz LSIPTEVRBVDHSQ-UHFFFAOYSA-N -1 3 354.859 3.344 20 10 FGCDHM COc1ccccc1[C@@H](CO)NCc1cc(Br)cc(F)c1[O-] ZINC000883004693 737510845 /nfs/dbraw/zinc/51/08/45/737510845.db2.gz RXYUGODTDIYVOD-CQSZACIVSA-N -1 3 370.218 3.126 20 10 FGCDHM CN(C)Cc1csc(CNCc2cc(Br)cc(F)c2[O-])n1 ZINC000922487748 758935300 /nfs/dbraw/zinc/93/53/00/758935300.db2.gz VWLRMCYGWOOSIB-UHFFFAOYSA-N -1 3 374.279 3.102 20 10 FGCDHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(N(C)C)c(F)c3)nc2)n1 ZINC000068694447 493858271 /nfs/dbraw/zinc/85/82/71/493858271.db2.gz QBNYYJGGUTUSPC-UHFFFAOYSA-N -1 3 367.428 3.212 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCN([C@H](C)c3cccnc3)CC2)c1[O-] ZINC000079436438 494454288 /nfs/dbraw/zinc/45/42/88/494454288.db2.gz GMGQOPBHRVQXSY-CQSZACIVSA-N -1 3 357.429 3.008 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC(OC[C@H]3CCCCO3)CC2)c1[O-] ZINC000079498269 494465565 /nfs/dbraw/zinc/46/55/65/494465565.db2.gz WZVWLOZYHGNHBE-GOSISDBHSA-N -1 3 365.445 3.284 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000075416572 494759298 /nfs/dbraw/zinc/75/92/98/494759298.db2.gz CYQIYYNXPMWEHD-NFAWXSAZSA-N -1 3 354.244 3.071 20 10 FGCDHM O=S(=O)(CCCNCc1c([O-])cccc1Cl)Cc1ccccc1 ZINC000113325364 495296577 /nfs/dbraw/zinc/29/65/77/495296577.db2.gz QSLKQLXASSKADK-UHFFFAOYSA-N -1 3 353.871 3.140 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CC[C@@H]1CCOC1 ZINC000176205302 495546035 /nfs/dbraw/zinc/54/60/35/495546035.db2.gz QAGFOEDMGYNZAL-GFCCVEGCSA-N -1 3 356.260 3.320 20 10 FGCDHM CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000185322399 496728915 /nfs/dbraw/zinc/72/89/15/496728915.db2.gz XFDUKFWJBGIDNO-RYUDHWBXSA-N -1 3 368.886 3.366 20 10 FGCDHM CC(C)[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCO1 ZINC000277334665 496739887 /nfs/dbraw/zinc/73/98/87/496739887.db2.gz VHLQXVNCLGRHQQ-HOCLYGCPSA-N -1 3 366.845 3.013 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(NC(=O)[C@@H](C)OC)c2)c1 ZINC000273480110 496818341 /nfs/dbraw/zinc/81/83/41/496818341.db2.gz LWCOPGWOTWWSAI-QWHCGFSZSA-N -1 3 372.421 3.325 20 10 FGCDHM COc1cc(Cl)cc(CN2CCN(C(=O)c3ccsc3)CC2)c1[O-] ZINC000273717109 496883213 /nfs/dbraw/zinc/88/32/13/496883213.db2.gz HIOFLZKHRAEQIS-UHFFFAOYSA-N -1 3 366.870 3.074 20 10 FGCDHM COc1c([O-])c(CNc2cccc(N3CCCCC3=O)c2)ccc1[N+](=O)[O-] ZINC000278637447 497176609 /nfs/dbraw/zinc/17/66/09/497176609.db2.gz HNGBPEOOCPSYNR-UHFFFAOYSA-N -1 3 371.393 3.438 20 10 FGCDHM COc1cc(OC)cc([C@H](NCc2ccccc2[O-])c2nccn2C)c1 ZINC000237371991 497227479 /nfs/dbraw/zinc/22/74/79/497227479.db2.gz RKRFINUKPFXJEY-IBGZPJMESA-N -1 3 353.422 3.022 20 10 FGCDHM O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1cccc(O)c1[O-] ZINC000193168589 497315850 /nfs/dbraw/zinc/31/58/50/497315850.db2.gz LDEVHFRYMTVQPU-UHFFFAOYSA-N -1 3 352.390 3.039 20 10 FGCDHM CCCCNC(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000267090525 497483980 /nfs/dbraw/zinc/48/39/80/497483980.db2.gz UKFLMPSRHKRBMW-UHFFFAOYSA-N -1 3 366.889 3.377 20 10 FGCDHM C[C@@H](N[C@@H](c1nccn1C)C1CCOCC1)c1ccc(F)c(F)c1[O-] ZINC000284740810 497885191 /nfs/dbraw/zinc/88/51/91/497885191.db2.gz FCNSVVBPTBMYKY-BDJLRTHQSA-N -1 3 351.397 3.222 20 10 FGCDHM C[C@@H](N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000364499285 497988959 /nfs/dbraw/zinc/98/89/59/497988959.db2.gz BZALQKHXWSKLCK-BZNIZROVSA-N -1 3 364.367 3.261 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000289589249 498208347 /nfs/dbraw/zinc/20/83/47/498208347.db2.gz KJZVQRLGQQMHCP-CMPLNLGQSA-N -1 3 368.193 3.147 20 10 FGCDHM CS(=O)(=O)C[C@H](NCc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000293751951 498478155 /nfs/dbraw/zinc/47/81/55/498478155.db2.gz YESDTIBQBHDJBF-HNNXBMFYSA-N -1 3 357.834 3.060 20 10 FGCDHM COc1ccc([C@@H](NC(=O)c2cccc(O)c2[O-])C2CCOCC2)cc1 ZINC000365599840 498552006 /nfs/dbraw/zinc/55/20/06/498552006.db2.gz SVOOTIBCLMSLDI-GOSISDBHSA-N -1 3 357.406 3.004 20 10 FGCDHM CCN1CCN(c2cccc(NC(=O)c3cc([O-])ccc3Cl)c2)CC1 ZINC000290648473 498631903 /nfs/dbraw/zinc/63/19/03/498631903.db2.gz FCICYXICWHSAHS-UHFFFAOYSA-N -1 3 359.857 3.440 20 10 FGCDHM COCC(C)(C)CCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000287738636 498852674 /nfs/dbraw/zinc/85/26/74/498852674.db2.gz PEMKTSVDCJDAEV-UHFFFAOYSA-N -1 3 368.861 3.263 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC(CO)(Nc3ccccc3)CC2)c1[O-] ZINC000371188720 499297001 /nfs/dbraw/zinc/29/70/01/499297001.db2.gz NGTHWZYFRKJSMQ-UHFFFAOYSA-N -1 3 372.440 3.173 20 10 FGCDHM COc1ccccc1NC1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000378560442 499531808 /nfs/dbraw/zinc/53/18/08/499531808.db2.gz FKNGBQLUGBXGEV-UHFFFAOYSA-N -1 3 356.422 3.132 20 10 FGCDHM CC[C@@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1ccc(F)cc1[O-] ZINC000375803673 499556963 /nfs/dbraw/zinc/55/69/63/499556963.db2.gz DVPZIPGFBWICJG-SJORKVTESA-N -1 3 358.413 3.212 20 10 FGCDHM CC[C@H](NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(F)cc1[O-] ZINC000375836505 499560611 /nfs/dbraw/zinc/56/06/11/499560611.db2.gz CSAAAAYOPFXIFX-MFKMUULPSA-N -1 3 372.366 3.488 20 10 FGCDHM CCC[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O)OCC ZINC000530196711 503870130 /nfs/dbraw/zinc/87/01/30/503870130.db2.gz FNQIPZLJHZZRJS-CQSZACIVSA-N -1 3 354.834 3.015 20 10 FGCDHM Cc1cc(Cl)cc([C@@H](C)NC(c2nccn2C)c2nccn2C)c1[O-] ZINC000527951044 504012977 /nfs/dbraw/zinc/01/29/77/504012977.db2.gz XALIGYSMUGYMTB-GFCCVEGCSA-N -1 3 359.861 3.261 20 10 FGCDHM CC1CCN(c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000736277623 598835472 /nfs/dbraw/zinc/83/54/72/598835472.db2.gz AONNQWZIUTZQBR-UHFFFAOYSA-N -1 3 362.437 3.355 20 10 FGCDHM CC1CCN(c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000736277623 598835474 /nfs/dbraw/zinc/83/54/74/598835474.db2.gz AONNQWZIUTZQBR-UHFFFAOYSA-N -1 3 362.437 3.355 20 10 FGCDHM O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738185288 598944844 /nfs/dbraw/zinc/94/48/44/598944844.db2.gz VMBYQJWWMCCSRW-UHFFFAOYSA-N -1 3 362.437 3.499 20 10 FGCDHM O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738185288 598944846 /nfs/dbraw/zinc/94/48/46/598944846.db2.gz VMBYQJWWMCCSRW-UHFFFAOYSA-N -1 3 362.437 3.499 20 10 FGCDHM Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235151 598242817 /nfs/dbraw/zinc/24/28/17/598242817.db2.gz RBUHPSIPVQNDPE-KZULUSFZSA-N -1 3 364.453 3.193 20 10 FGCDHM Cc1cc(C(=O)N[C@H]2CCC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235211 598242930 /nfs/dbraw/zinc/24/29/30/598242930.db2.gz RBUHPSIPVQNDPE-XIKOKIGWSA-N -1 3 364.453 3.193 20 10 FGCDHM Cc1cc(C(=O)Nc2ncccc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737436128 598611160 /nfs/dbraw/zinc/61/11/60/598611160.db2.gz LGUKYJWSPBOEMT-UHFFFAOYSA-N -1 3 373.420 3.230 20 10 FGCDHM Cc1cc(Br)cc(C[N@@H+](C)C2CCN(C(=O)[O-])CC2)c1[O-] ZINC000833897100 605989390 /nfs/dbraw/zinc/98/93/90/605989390.db2.gz FAOUZPOSXJIDAH-UHFFFAOYSA-N -1 3 357.248 3.037 20 10 FGCDHM Cc1cc(Br)cc(C[N@H+](C)C2CCN(C(=O)[O-])CC2)c1[O-] ZINC000833897100 605989393 /nfs/dbraw/zinc/98/93/93/605989393.db2.gz FAOUZPOSXJIDAH-UHFFFAOYSA-N -1 3 357.248 3.037 20 10 FGCDHM CCCN(Cc1ccccc1O)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821109325 607223457 /nfs/dbraw/zinc/22/34/57/607223457.db2.gz HRAYROOCRFAJAO-QXMHVHEDSA-N -1 3 363.421 3.024 20 10 FGCDHM CCCN(Cc1ccccc1O)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821109325 607223458 /nfs/dbraw/zinc/22/34/58/607223458.db2.gz HRAYROOCRFAJAO-QXMHVHEDSA-N -1 3 363.421 3.024 20 10 FGCDHM CCN(C(=O)C=Cc1cncc(C)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366928 608344192 /nfs/dbraw/zinc/34/41/92/608344192.db2.gz HFVDXUDOWRJSQL-QPJJXVBHSA-N -1 3 368.828 3.290 20 10 FGCDHM CCN(C(=O)C=Cc1cncc(C)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366928 608344194 /nfs/dbraw/zinc/34/41/94/608344194.db2.gz HFVDXUDOWRJSQL-QPJJXVBHSA-N -1 3 368.828 3.290 20 10 FGCDHM Cc1ccncc1C=CC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826315527 609482000 /nfs/dbraw/zinc/48/20/00/609482000.db2.gz MBAJEDMKLPEQMQ-RMKNXTFCSA-N -1 3 362.437 3.273 20 10 FGCDHM Cc1ccncc1C=CC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826315527 609482003 /nfs/dbraw/zinc/48/20/03/609482003.db2.gz MBAJEDMKLPEQMQ-RMKNXTFCSA-N -1 3 362.437 3.273 20 10 FGCDHM O=S(=O)([N-]CCCSc1nccs1)c1ccc(Cl)s1 ZINC000078724757 700286193 /nfs/dbraw/zinc/28/61/93/700286193.db2.gz XUIHUFKBWIAQRZ-UHFFFAOYSA-N -1 3 354.931 3.319 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCN(c2cccc(O)c2)CC1 ZINC000121616619 700676491 /nfs/dbraw/zinc/67/64/91/700676491.db2.gz ZXVQXZBUGZCSOT-UHFFFAOYSA-N -1 3 363.255 3.183 20 10 FGCDHM COc1ccc(OC)c(CN(CCO)Cc2c([O-])cccc2Cl)c1 ZINC000125107535 700730373 /nfs/dbraw/zinc/73/03/73/700730373.db2.gz GPPYBHXYYQGXBU-UHFFFAOYSA-N -1 3 351.830 3.057 20 10 FGCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000177283216 705615851 /nfs/dbraw/zinc/61/58/51/705615851.db2.gz YCXUKNZRMSUVFB-NSHDSACASA-N -1 3 354.422 3.079 20 10 FGCDHM CCCC1CCC(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000192270112 712855995 /nfs/dbraw/zinc/85/59/95/712855995.db2.gz KILYUOWMWBKGFG-UHFFFAOYSA-N -1 3 368.499 3.195 20 10 FGCDHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(Br)ccc1[O-] ZINC000769494959 723687272 /nfs/dbraw/zinc/68/72/72/723687272.db2.gz CUMVHPYWVURWKQ-CVEARBPZSA-N -1 3 369.303 3.376 20 10 FGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000743259668 722565233 /nfs/dbraw/zinc/56/52/33/722565233.db2.gz JODZHYCJSUASTQ-UHFFFAOYSA-N -1 3 361.341 3.443 20 10 FGCDHM COC(=O)CN(Cc1cccc(N(C)C)c1)Cc1cc(Cl)ccc1[O-] ZINC000744402325 722576639 /nfs/dbraw/zinc/57/66/39/722576639.db2.gz MZQNHGDVBCZYAM-UHFFFAOYSA-N -1 3 362.857 3.287 20 10 FGCDHM CCOC(=O)N(C)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000750044439 722752831 /nfs/dbraw/zinc/75/28/31/722752831.db2.gz UUBLROJQOBMTTI-UHFFFAOYSA-N -1 3 368.861 3.301 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(O[C@H]3CCOC3)CC2)c1[O-] ZINC000750058119 722753357 /nfs/dbraw/zinc/75/33/57/722753357.db2.gz QXMQHCQMLHALAO-INIZCTEOSA-N -1 3 353.846 3.018 20 10 FGCDHM CCc1nnc([C@H](C)N[C@H](C)c2cc(Br)cc(F)c2[O-])[nH]1 ZINC000756779619 722970002 /nfs/dbraw/zinc/97/00/02/722970002.db2.gz UMAPRFOGSQOILZ-SFYZADRCSA-N -1 3 357.227 3.386 20 10 FGCDHM Cc1ccc(CN2CC[C@H](NCc3c([O-])ccc(Cl)c3F)C2=O)cc1 ZINC000791010047 723205084 /nfs/dbraw/zinc/20/50/84/723205084.db2.gz CFPSMHTYYKJJRP-INIZCTEOSA-N -1 3 362.832 3.384 20 10 FGCDHM COc1ccc(C[NH2+]Cc2cc(C)cc(Br)c2[O-])c([O-])c1 ZINC000793389503 723433068 /nfs/dbraw/zinc/43/30/68/723433068.db2.gz ZWTQGRKZTGHERK-UHFFFAOYSA-N -1 3 352.228 3.467 20 10 FGCDHM CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCC1 ZINC000766253596 723564912 /nfs/dbraw/zinc/56/49/12/723564912.db2.gz VNNANKIMDODOJD-UHFFFAOYSA-N -1 3 368.499 3.100 20 10 FGCDHM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(O)c1 ZINC000795357118 723584788 /nfs/dbraw/zinc/58/47/88/723584788.db2.gz LBCRDTBTOYGAAD-UHFFFAOYSA-N -1 3 368.263 3.248 20 10 FGCDHM O=S(=O)(NC1CC1)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000768662497 723664806 /nfs/dbraw/zinc/66/48/06/723664806.db2.gz AYZPYIPRLPLLJP-UHFFFAOYSA-N -1 3 352.843 3.098 20 10 FGCDHM CC(C)SCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771065154 723727190 /nfs/dbraw/zinc/72/71/90/723727190.db2.gz LXYMNUPZZYYXNU-HNNXBMFYSA-N -1 3 356.919 3.268 20 10 FGCDHM COc1c([O-])c(CN2CCOC3(C2)CCCCCC3)ccc1[N+](=O)[O-] ZINC000774908004 723941382 /nfs/dbraw/zinc/94/13/82/723941382.db2.gz DUHBSZYOEGRPBG-UHFFFAOYSA-N -1 3 350.415 3.234 20 10 FGCDHM O=C(Nc1nnc(SCc2ccccc2)s1)c1cccc(O)c1[O-] ZINC000776325408 724132531 /nfs/dbraw/zinc/13/25/31/724132531.db2.gz MOTZODRPDBCJCB-UHFFFAOYSA-N -1 3 359.432 3.494 20 10 FGCDHM O=C(NC1CC1)OC[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816615062 727180743 /nfs/dbraw/zinc/18/07/43/727180743.db2.gz MCVXPCTYZBVDOH-CYBMUJFWSA-N -1 3 356.825 3.428 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCN(c2ccc(F)cn2)CC1 ZINC000825922675 729399740 /nfs/dbraw/zinc/39/97/40/729399740.db2.gz UYLKUZSRYDQLFY-UHFFFAOYSA-N -1 3 366.234 3.011 20 10 FGCDHM Cc1cc([O-])c(CN2CCn3ncc(Br)c3C2)cc1Cl ZINC000827451234 729430356 /nfs/dbraw/zinc/43/03/56/729430356.db2.gz GBNIGUCVWURVBG-UHFFFAOYSA-N -1 3 356.651 3.329 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCOc2ccc(O)cc2C1 ZINC000827657040 729433012 /nfs/dbraw/zinc/43/30/12/729433012.db2.gz LYZNYIICZGUOFC-UHFFFAOYSA-N -1 3 350.212 3.255 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNCc2nnc(C3CC3)s2)c1 ZINC000840973806 730199611 /nfs/dbraw/zinc/19/96/11/730199611.db2.gz VKOPIRHWVBZMRO-UHFFFAOYSA-N -1 3 354.273 3.482 20 10 FGCDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841454446 730245177 /nfs/dbraw/zinc/24/51/77/730245177.db2.gz ZDJQLENTYFKSPJ-LSDHHAIUSA-N -1 3 368.499 3.051 20 10 FGCDHM CC(=O)N(C)c1ccc(NCc2cc(C)cc(Br)c2[O-])cn1 ZINC000841505218 730250032 /nfs/dbraw/zinc/25/00/32/730250032.db2.gz CTXDECDHDWGENE-UHFFFAOYSA-N -1 3 364.243 3.453 20 10 FGCDHM Cc1cnc(OC2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)nc1 ZINC000848925253 731221360 /nfs/dbraw/zinc/22/13/60/731221360.db2.gz QXPXJGDIKFQQCI-UHFFFAOYSA-N -1 3 351.809 3.327 20 10 FGCDHM CCS(=O)(=O)N(C)c1ccc(N[C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000850553031 731372338 /nfs/dbraw/zinc/37/23/38/731372338.db2.gz ZUCPJQVCTVOXKK-LBPRGKRZSA-N -1 3 352.431 3.490 20 10 FGCDHM COc1cc(Br)cc(CN2CCC(CCC(=O)[O-])CC2)c1O ZINC000854240652 731807414 /nfs/dbraw/zinc/80/74/14/731807414.db2.gz BEXJTCUPOSPFSK-UHFFFAOYSA-N -1 3 372.259 3.240 20 10 FGCDHM COC(=O)c1cnc([C@@H](C)NCc2c([O-])cccc2Br)s1 ZINC000858182775 732189884 /nfs/dbraw/zinc/18/98/84/732189884.db2.gz HNPKZSCVZLQXFP-MRVPVSSYSA-N -1 3 371.256 3.249 20 10 FGCDHM [O-]c1cccc(Br)c1CN1CCN(c2ncccc2F)CC1 ZINC000862249507 732798774 /nfs/dbraw/zinc/79/87/74/732798774.db2.gz RRDIIEYCNPDPPT-UHFFFAOYSA-N -1 3 366.234 3.011 20 10 FGCDHM [O-]c1cccc(Br)c1CN1CCC(O)(C(F)(F)F)CC1 ZINC000862301719 732806615 /nfs/dbraw/zinc/80/66/15/732806615.db2.gz IIFDBGOTUHJDQP-UHFFFAOYSA-N -1 3 354.166 3.044 20 10 FGCDHM [O-]c1cccc(Br)c1CN1CCOc2ccc(O)cc2C1 ZINC000862418811 732830158 /nfs/dbraw/zinc/83/01/58/732830158.db2.gz LTYMVXCMZMDCPD-UHFFFAOYSA-N -1 3 350.212 3.255 20 10 FGCDHM O=C(CC1CCCC1)NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876722834 736136447 /nfs/dbraw/zinc/13/64/47/736136447.db2.gz GFXJHJIIDAUJCN-UHFFFAOYSA-N -1 3 352.425 3.331 20 10 FGCDHM O=C1N(c2ccccc2)[C@@H](c2cc(Br)ccc2[O-])NC12CC2 ZINC000877859259 736737057 /nfs/dbraw/zinc/73/70/57/736737057.db2.gz PEHKAYPXUDUAEK-HNNXBMFYSA-N -1 3 359.223 3.322 20 10 FGCDHM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C(C)C)c2)c1 ZINC000882799465 737493114 /nfs/dbraw/zinc/49/31/14/737493114.db2.gz DWLDFEKDHUDBJY-UHFFFAOYSA-N -1 3 363.435 3.032 20 10 FGCDHM COC(=O)c1cnc([C@@H]2CCCN(Cc3cc(F)cc(F)c3[O-])C2)s1 ZINC000895359321 742402426 /nfs/dbraw/zinc/40/24/26/742402426.db2.gz QVQLQICPXFUWFX-SNVBAGLBSA-N -1 3 368.405 3.293 20 10 FGCDHM [O-]c1cccc(F)c1CNCc1c(Cl)cccc1N1CCOCC1 ZINC000896639883 742575534 /nfs/dbraw/zinc/57/55/34/742575534.db2.gz YVJYXYFIUSDUPA-UHFFFAOYSA-N -1 3 350.821 3.311 20 10 FGCDHM C[C@H](c1cccc(C(F)(F)F)c1[O-])N1CCc2sc(CN)nc2C1 ZINC000925750000 759530301 /nfs/dbraw/zinc/53/03/01/759530301.db2.gz BZYWPSJDLUQVGQ-SECBINFHSA-N -1 3 357.401 3.446 20 10 FGCDHM CCN(Cc1noc(C2CC2)n1)Cc1cc(Br)ccc1[O-] ZINC000076118504 493826081 /nfs/dbraw/zinc/82/60/81/493826081.db2.gz FDDDSVPLJZHKRN-UHFFFAOYSA-N -1 3 352.232 3.437 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000092661175 494700723 /nfs/dbraw/zinc/70/07/23/494700723.db2.gz XIZMLPKQQVQHAT-INIZCTEOSA-N -1 3 370.287 3.315 20 10 FGCDHM O=C(c1cccc(NCc2c([O-])cccc2Cl)c1)N1CCC[C@H](O)C1 ZINC000126971010 494870703 /nfs/dbraw/zinc/87/07/03/494870703.db2.gz GKQSFXWKIAREAF-HNNXBMFYSA-N -1 3 360.841 3.255 20 10 FGCDHM C[C@H](C(=O)Nc1ccccc1OC(F)F)N(C)Cc1ccccc1[O-] ZINC000109772891 494916706 /nfs/dbraw/zinc/91/67/06/494916706.db2.gz SFASSFLKFZLYHR-GFCCVEGCSA-N -1 3 350.365 3.453 20 10 FGCDHM CCc1noc(C)c1CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000119071436 495085761 /nfs/dbraw/zinc/08/57/61/495085761.db2.gz XZGBAFIXQBPPDI-UHFFFAOYSA-N -1 3 352.818 3.080 20 10 FGCDHM CC(=O)c1cc(F)cc(CN(C)CC(=O)Nc2c(C)cccc2C)c1[O-] ZINC000177246288 495991897 /nfs/dbraw/zinc/99/18/97/495991897.db2.gz IYQYHBNXSCEXGZ-UHFFFAOYSA-N -1 3 358.413 3.421 20 10 FGCDHM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000187060766 496274658 /nfs/dbraw/zinc/27/46/58/496274658.db2.gz JOFVIHPQKLWBPC-INIZCTEOSA-N -1 3 351.406 3.445 20 10 FGCDHM CCc1nnsc1C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000175847079 496571173 /nfs/dbraw/zinc/57/11/73/496571173.db2.gz ANRLSAXNBDOYMY-UHFFFAOYSA-N -1 3 370.272 3.231 20 10 FGCDHM COc1c([O-])c(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000278492231 497132986 /nfs/dbraw/zinc/13/29/86/497132986.db2.gz LPHXLJDWFVJRGX-LLVKDONJSA-N -1 3 361.354 3.376 20 10 FGCDHM CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000275110710 497237502 /nfs/dbraw/zinc/23/75/02/497237502.db2.gz KMWLDSIGAFYLTI-CYBMUJFWSA-N -1 3 371.437 3.463 20 10 FGCDHM COc1ccc(Cl)cc1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278837847 497237862 /nfs/dbraw/zinc/23/78/62/497237862.db2.gz JJCIXAFUJYSHAI-UHFFFAOYSA-N -1 3 352.774 3.261 20 10 FGCDHM CCc1ocnc1C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000266507951 497360835 /nfs/dbraw/zinc/36/08/35/497360835.db2.gz GNVCJWXHULMEMQ-UHFFFAOYSA-N -1 3 353.216 3.367 20 10 FGCDHM Cc1csc([C@@H]2COCCN2Cc2cc(Br)ccc2[O-])n1 ZINC000190407012 497467156 /nfs/dbraw/zinc/46/71/56/497467156.db2.gz CNYAGQFAWOTEJN-ZDUSSCGKSA-N -1 3 369.284 3.493 20 10 FGCDHM Cc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c([O-])c1O ZINC000267633399 497591736 /nfs/dbraw/zinc/59/17/36/497591736.db2.gz XTTIDSHPYZTBCE-UHFFFAOYSA-N -1 3 351.406 3.302 20 10 FGCDHM [O-]c1c(Cl)cc(Cl)cc1CN[C@]1(CO)CCOc2ccccc21 ZINC000282399477 498494493 /nfs/dbraw/zinc/49/44/93/498494493.db2.gz POOBEHMYBURWMD-KRWDZBQOSA-N -1 3 354.233 3.459 20 10 FGCDHM CCOC(=O)[C@@H](F)C1CN(Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000293987646 498553951 /nfs/dbraw/zinc/55/39/51/498553951.db2.gz RTQMWLPPABHSCQ-FQEVSTJZSA-N -1 3 373.424 3.304 20 10 FGCDHM C[C@@H]1CN(c2ccc(CNCc3cc(Cl)c(F)cc3[O-])cn2)CCO1 ZINC000294127593 498597597 /nfs/dbraw/zinc/59/75/97/498597597.db2.gz GUYRJCPLCKWHEV-GFCCVEGCSA-N -1 3 365.836 3.095 20 10 FGCDHM COc1c([O-])c(CNc2cccc(-c3n[nH]c(C)n3)c2)ccc1[N+](=O)[O-] ZINC000365804815 498648023 /nfs/dbraw/zinc/64/80/23/498648023.db2.gz GQQPILUJBQATMG-UHFFFAOYSA-N -1 3 355.354 3.015 20 10 FGCDHM Cc1c(N[C@@H](C)c2cc(F)ccc2[O-])cccc1N1C(=O)CCNC1=O ZINC000282844730 498677190 /nfs/dbraw/zinc/67/71/90/498677190.db2.gz SXZFXEIOUJKJLT-LBPRGKRZSA-N -1 3 357.385 3.459 20 10 FGCDHM [O-]c1ccc(Cl)cc1CNCc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC000364030810 499092575 /nfs/dbraw/zinc/09/25/75/499092575.db2.gz FFACQOYYBGLBJZ-JTQLQIEISA-N -1 3 360.767 3.052 20 10 FGCDHM COc1c([O-])c(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)ccc1[N+](=O)[O-] ZINC000284508674 499117949 /nfs/dbraw/zinc/11/79/49/499117949.db2.gz YETCYEYYXKQIOR-SMDDNHRTSA-N -1 3 361.225 3.325 20 10 FGCDHM COc1ccc(C2=CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cc1OC ZINC000368007161 499254485 /nfs/dbraw/zinc/25/44/85/499254485.db2.gz PDDTXOCVOWUBAL-UHFFFAOYSA-N -1 3 369.417 3.353 20 10 FGCDHM CC[C@H](NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccccc1[O-] ZINC000372337638 499422295 /nfs/dbraw/zinc/42/22/95/499422295.db2.gz NRWBSHCOGSVUHI-YPMHNXCESA-N -1 3 354.376 3.349 20 10 FGCDHM CCc1nccc([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])c(OC)c3[O-])C2)n1 ZINC000372950958 499444440 /nfs/dbraw/zinc/44/44/40/499444440.db2.gz PMIVWZONHFOGKM-CYBMUJFWSA-N -1 3 372.425 3.041 20 10 FGCDHM CC[C@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(F)cc1[O-] ZINC000375803670 499557105 /nfs/dbraw/zinc/55/71/05/499557105.db2.gz DVPZIPGFBWICJG-DLBZAZTESA-N -1 3 358.413 3.212 20 10 FGCDHM CCOc1ccccc1OC1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000376840976 499639777 /nfs/dbraw/zinc/63/97/77/499639777.db2.gz GDHRNSDYGRUOMX-UHFFFAOYSA-N -1 3 371.433 3.489 20 10 FGCDHM C[C@@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@H]1C(=O)[O-] ZINC000828457105 601814195 /nfs/dbraw/zinc/81/41/95/601814195.db2.gz RHEWIBJGLCZQKU-YGRLFVJLSA-N -1 3 364.239 3.460 20 10 FGCDHM C[C@@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@H]1C(=O)[O-] ZINC000828457105 601814196 /nfs/dbraw/zinc/81/41/96/601814196.db2.gz RHEWIBJGLCZQKU-YGRLFVJLSA-N -1 3 364.239 3.460 20 10 FGCDHM COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000833733721 605124798 /nfs/dbraw/zinc/12/47/98/605124798.db2.gz NLUOOLOVZGSDNN-CHWSQXEVSA-N -1 3 372.421 3.085 20 10 FGCDHM COc1cccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1O ZINC000826216024 608377254 /nfs/dbraw/zinc/37/72/54/608377254.db2.gz GVRXEZYMXKJZBK-UHFFFAOYSA-N -1 3 365.315 3.212 20 10 FGCDHM COc1cccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1O ZINC000826216024 608377256 /nfs/dbraw/zinc/37/72/56/608377256.db2.gz GVRXEZYMXKJZBK-UHFFFAOYSA-N -1 3 365.315 3.212 20 10 FGCDHM COC(=O)CN(Cc1cnn(C(C)(C)C)c1)Cc1cc(Cl)ccc1[O-] ZINC000093277183 700449956 /nfs/dbraw/zinc/44/99/56/700449956.db2.gz FCSYUVGDOSTKMH-UHFFFAOYSA-N -1 3 365.861 3.172 20 10 FGCDHM COCCCOC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000093561474 700452586 /nfs/dbraw/zinc/45/25/86/700452586.db2.gz ZAYNIIVDWBDHHS-UHFFFAOYSA-N -1 3 358.276 3.172 20 10 FGCDHM C[C@H]1CCS(=O)(=O)CCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000191332573 712834363 /nfs/dbraw/zinc/83/43/63/712834363.db2.gz NKSQZFOONPHXSG-ZDUSSCGKSA-N -1 3 363.479 3.026 20 10 FGCDHM Cc1ccc(C(=O)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)cc1F ZINC000768253225 723652001 /nfs/dbraw/zinc/65/20/01/723652001.db2.gz WIYXGXTXEAQEBC-UHFFFAOYSA-N -1 3 362.832 3.451 20 10 FGCDHM Cc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c([O-])c1O ZINC000803636657 724457150 /nfs/dbraw/zinc/45/71/50/724457150.db2.gz CSYZDUUTSPTBCJ-UHFFFAOYSA-N -1 3 367.155 3.329 20 10 FGCDHM CCOC(=O)[C@@H](CC)N(Cc1cc(Br)ccc1[O-])C1CC1 ZINC000787440378 725028367 /nfs/dbraw/zinc/02/83/67/725028367.db2.gz LUUKWDTVOISFAX-CQSZACIVSA-N -1 3 356.260 3.461 20 10 FGCDHM COC(=O)Cc1cccc(NCc2cc(C)cc(Br)c2[O-])n1 ZINC000790246378 723117272 /nfs/dbraw/zinc/11/72/72/723117272.db2.gz WNMAMUOGQWJIPV-UHFFFAOYSA-N -1 3 365.227 3.186 20 10 FGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000792174893 723318613 /nfs/dbraw/zinc/31/86/13/723318613.db2.gz MJWMXZUKSFVARI-UHFFFAOYSA-N -1 3 364.852 3.492 20 10 FGCDHM CN(Cc1cc(Br)ccc1[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000768161696 723648863 /nfs/dbraw/zinc/64/88/63/723648863.db2.gz WYASFANPUIDRHA-UHFFFAOYSA-N -1 3 374.238 3.436 20 10 FGCDHM COc1c([O-])c([C@@H]2Nc3ccc(Cl)cc3C(=O)N2C)ccc1[N+](=O)[O-] ZINC000772177025 723753031 /nfs/dbraw/zinc/75/30/31/723753031.db2.gz JNZNBKUAZCEJDX-OAHLLOKOSA-N -1 3 363.757 3.159 20 10 FGCDHM COc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)ccc1O ZINC000797819363 723866066 /nfs/dbraw/zinc/86/60/66/723866066.db2.gz HGFCFQXPHDQCHQ-UHFFFAOYSA-N -1 3 351.424 3.297 20 10 FGCDHM O=C(CSC1CC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000827095859 729424176 /nfs/dbraw/zinc/42/41/76/729424176.db2.gz MKZIIFOOVMVFHY-AWEZNQCLSA-N -1 3 354.903 3.022 20 10 FGCDHM CC1(c2nnc(-c3cccnc3)o2)CN(Cc2c([O-])cccc2Cl)C1 ZINC000828044084 729439143 /nfs/dbraw/zinc/43/91/43/729439143.db2.gz KJCYEMDLUKANQN-UHFFFAOYSA-N -1 3 356.813 3.264 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CNC[C@@H](n2cccn2)C(F)(F)F)c1[O-] ZINC000858209220 732192423 /nfs/dbraw/zinc/19/24/23/732192423.db2.gz FWUBUEHQJQZNNX-LLVKDONJSA-N -1 3 364.711 3.044 20 10 FGCDHM CO[C@H]1C[C@H]2CN(Cc3cccc(Cl)c3[O-])Cc3cccnc3N2C1 ZINC000877688226 736704912 /nfs/dbraw/zinc/70/49/12/736704912.db2.gz RPMIIGCELVUKCV-HOTGVXAUSA-N -1 3 359.857 3.050 20 10 FGCDHM CCS(=O)(=O)c1ccc([C@@H](C)NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883114092 737525426 /nfs/dbraw/zinc/52/54/26/737525426.db2.gz LFOZFZOANBTVJG-LLVKDONJSA-N -1 3 355.406 3.315 20 10 FGCDHM C[C@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1c([O-])cccc1F ZINC000886495155 739263060 /nfs/dbraw/zinc/26/30/60/739263060.db2.gz KAERPHZSYNMPAN-VIFPVBQESA-N -1 3 354.307 3.444 20 10 FGCDHM COc1ccc(NS(C)(=O)=O)cc1N[C@@H](C)c1c([O-])cccc1F ZINC000886619260 739276333 /nfs/dbraw/zinc/27/63/33/739276333.db2.gz XUVAIGJHVXUTSS-JTQLQIEISA-N -1 3 354.403 3.085 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCCSC[C@H]2c2cnn(C)c2)c1[O-] ZINC000933986497 761518070 /nfs/dbraw/zinc/51/80/70/761518070.db2.gz SUXPBTRMSGDYLB-KRWDZBQOSA-N -1 3 363.458 3.148 20 10 FGCDHM CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)Cc1ccccc1[O-] ZINC000132957517 494947907 /nfs/dbraw/zinc/94/79/07/494947907.db2.gz NMKXWFPQHAEOCT-UHFFFAOYSA-N -1 3 372.446 3.083 20 10 FGCDHM COc1cc(OC)c(OC)cc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273367164 496785897 /nfs/dbraw/zinc/78/58/97/496785897.db2.gz FEOBUTYMTKVJJI-LLVKDONJSA-N -1 3 362.382 3.177 20 10 FGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CCc1ccsc1 ZINC000277488108 496788903 /nfs/dbraw/zinc/78/89/03/496788903.db2.gz VWXHXBIAQWASRI-UHFFFAOYSA-N -1 3 350.827 3.114 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc(C(=O)N(C)C)ccc2C)c1 ZINC000273431185 496804292 /nfs/dbraw/zinc/80/42/92/496804292.db2.gz LEAAUICZSLCNMC-CYBMUJFWSA-N -1 3 356.422 3.362 20 10 FGCDHM C[C@@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273576936 496845316 /nfs/dbraw/zinc/84/53/16/496845316.db2.gz MASZJMDIKPCOJL-NWDGAFQWSA-N -1 3 355.394 3.231 20 10 FGCDHM COC(=O)C[C@](C)(NCc1cc(Cl)cc(OC)c1[O-])c1ccncc1 ZINC000191904069 496927035 /nfs/dbraw/zinc/92/70/35/496927035.db2.gz YWFPCTWATJRLGQ-SFHVURJKSA-N -1 3 364.829 3.017 20 10 FGCDHM O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000275122464 497239964 /nfs/dbraw/zinc/23/99/64/497239964.db2.gz HNDAQRDYHXFHPQ-MRVPVSSYSA-N -1 3 371.186 3.199 20 10 FGCDHM COc1c([O-])c(CNc2ccc(N3CCO[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000278882504 497254384 /nfs/dbraw/zinc/25/43/84/497254384.db2.gz OIHGVOIJARICMP-CYBMUJFWSA-N -1 3 373.409 3.146 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000189920591 497293865 /nfs/dbraw/zinc/29/38/65/497293865.db2.gz KYWUJRUWAPDBOJ-HNNXBMFYSA-N -1 3 367.323 3.330 20 10 FGCDHM O=C1OCC[C@@]12CCCN2Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000190031116 497332253 /nfs/dbraw/zinc/33/22/53/497332253.db2.gz NWSKHJDZMZZEHN-NRFANRHFSA-N -1 3 353.418 3.253 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCO[C@@H](C)C1 ZINC000271914531 497487409 /nfs/dbraw/zinc/48/74/09/497487409.db2.gz ASDVPTBXTPFPBM-RYUDHWBXSA-N -1 3 356.260 3.318 20 10 FGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@H](Nc2ccc3nccnc3n2)C1 ZINC000301257502 498024281 /nfs/dbraw/zinc/02/42/81/498024281.db2.gz UGTFNQDEDRZRSS-OAHLLOKOSA-N -1 3 369.856 3.460 20 10 FGCDHM CCOCc1nc([C@H](C)N[C@@H](C)c2ccc(Br)cc2[O-])no1 ZINC000290279559 498494050 /nfs/dbraw/zinc/49/40/50/498494050.db2.gz XAOSWAPZTFHMGJ-UWVGGRQHSA-N -1 3 370.247 3.486 20 10 FGCDHM COc1c([O-])c(CN2CC[C@@H](n3cc4ccccc4n3)C2)ccc1[N+](=O)[O-] ZINC000365793352 498642848 /nfs/dbraw/zinc/64/28/48/498642848.db2.gz GEWICWVSSYURPW-OAHLLOKOSA-N -1 3 368.393 3.106 20 10 FGCDHM Cc1ccc(C(=O)N2CCC(c3nc4c(cccc4F)[nH]3)CC2)c([O-])c1O ZINC000366516232 498962006 /nfs/dbraw/zinc/96/20/06/498962006.db2.gz FSZVPJCDOCGWFC-UHFFFAOYSA-N -1 3 369.396 3.441 20 10 FGCDHM Cc1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)c([O-])c1O ZINC000371588407 499344919 /nfs/dbraw/zinc/34/49/19/499344919.db2.gz MOKMFTAZOVHHSH-NSHDSACASA-N -1 3 353.827 3.335 20 10 FGCDHM COc1c([O-])c(CN[C@@H]2COc3c2cccc3Cl)ccc1[N+](=O)[O-] ZINC000373196310 499456598 /nfs/dbraw/zinc/45/65/98/499456598.db2.gz VEFSGBICQLBXGD-GFCCVEGCSA-N -1 3 350.758 3.186 20 10 FGCDHM Cc1cc(C(=O)N=c2[nH][n-]c(C)c2-c2ccncc2)c(C)n1-c1ccccn1 ZINC000373418618 499468673 /nfs/dbraw/zinc/46/86/73/499468673.db2.gz RFOKVUQNRCXPEQ-UHFFFAOYSA-N -1 3 372.432 3.257 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)c1[O-] ZINC000375418846 499516690 /nfs/dbraw/zinc/51/66/90/499516690.db2.gz ZIAJFLJKHUCANW-SNVBAGLBSA-N -1 3 364.789 3.204 20 10 FGCDHM Cc1ccc(C(=O)N2CCC(c3ccnc(C(C)C)n3)CC2)c([O-])c1O ZINC000378573547 499533173 /nfs/dbraw/zinc/53/31/73/499533173.db2.gz RPTCBUSLTHAQFE-UHFFFAOYSA-N -1 3 355.438 3.339 20 10 FGCDHM Cc1cc(Cl)cc(CNCc2nnc3n2C[C@H](C(F)(F)F)CC3)c1[O-] ZINC000376843816 499640029 /nfs/dbraw/zinc/64/00/29/499640029.db2.gz HQMFMVWBEZAOKR-LLVKDONJSA-N -1 3 374.794 3.360 20 10 FGCDHM CCC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000378007536 499754696 /nfs/dbraw/zinc/75/46/96/499754696.db2.gz QEGPYYQBTJFSGE-MSOLQXFVSA-N -1 3 362.445 3.099 20 10 FGCDHM Cc1cc(C(=O)N2C[C@@H](C)C[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232951 598952320 /nfs/dbraw/zinc/95/23/20/598952320.db2.gz BGICUHCXBJAJAB-QWHCGFSZSA-N -1 3 364.453 3.145 20 10 FGCDHM CC[C@@H](C)CN(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736321601 598694515 /nfs/dbraw/zinc/69/45/15/598694515.db2.gz DGIUKVOIEITJIV-CYBMUJFWSA-N -1 3 366.469 3.392 20 10 FGCDHM O=C([O-])c1cccc(OCC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000740227085 600143796 /nfs/dbraw/zinc/14/37/96/600143796.db2.gz MKTRWKOJNUIGDE-LJQANCHMSA-N -1 3 371.433 3.150 20 10 FGCDHM O=C([O-])c1cccc(OCC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000740227085 600143797 /nfs/dbraw/zinc/14/37/97/600143797.db2.gz MKTRWKOJNUIGDE-LJQANCHMSA-N -1 3 371.433 3.150 20 10 FGCDHM CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000829497218 604769945 /nfs/dbraw/zinc/76/99/45/604769945.db2.gz ZFMRNAXJNXEFLM-HNNXBMFYSA-N -1 3 370.449 3.007 20 10 FGCDHM CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000829497218 604769946 /nfs/dbraw/zinc/76/99/46/604769946.db2.gz ZFMRNAXJNXEFLM-HNNXBMFYSA-N -1 3 370.449 3.007 20 10 FGCDHM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000833680043 605120763 /nfs/dbraw/zinc/12/07/63/605120763.db2.gz BRCSJVYHJHZQHY-CQSZACIVSA-N -1 3 358.438 3.228 20 10 FGCDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1c1ccccc1 ZINC000823503091 606304838 /nfs/dbraw/zinc/30/48/38/606304838.db2.gz AYIURQKMQRHZEI-KPKJPENVSA-N -1 3 371.472 3.334 20 10 FGCDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)SC(=S)N1c1ccccc1 ZINC000823503091 606304840 /nfs/dbraw/zinc/30/48/40/606304840.db2.gz AYIURQKMQRHZEI-KPKJPENVSA-N -1 3 371.472 3.334 20 10 FGCDHM COc1ccc(N(CC(C)C)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821827477 606923092 /nfs/dbraw/zinc/92/30/92/606923092.db2.gz CJAJXMDVSOGICV-IBGZPJMESA-N -1 3 367.453 3.071 20 10 FGCDHM COc1ccc(N(CC(C)C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821827477 606923094 /nfs/dbraw/zinc/92/30/94/606923094.db2.gz CJAJXMDVSOGICV-IBGZPJMESA-N -1 3 367.453 3.071 20 10 FGCDHM CC(C)CCN(CCC(C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093928150 700456714 /nfs/dbraw/zinc/45/67/14/700456714.db2.gz SEPJTAGUKQZYBS-UHFFFAOYSA-N -1 3 370.515 3.298 20 10 FGCDHM CCCC(=O)NC[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177099956 705605738 /nfs/dbraw/zinc/60/57/38/705605738.db2.gz CQISUDNFAOMEDX-CQSZACIVSA-N -1 3 366.889 3.377 20 10 FGCDHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(O)c(C)c3)cc2F)c1 ZINC000182475476 705845731 /nfs/dbraw/zinc/84/57/31/705845731.db2.gz PHEPGPJSZBEWIQ-UHFFFAOYSA-N -1 3 361.398 3.135 20 10 FGCDHM CC(C)(C)OC(=O)NCC(F)(F)CNCc1cc(Cl)ccc1[O-] ZINC000230942886 713577867 /nfs/dbraw/zinc/57/78/67/713577867.db2.gz RXOMVVVGIUDCSF-UHFFFAOYSA-N -1 3 350.793 3.295 20 10 FGCDHM COC(=O)[C@H](NCc1cc(Br)ccc1[O-])c1ccccc1F ZINC000779177532 724398120 /nfs/dbraw/zinc/39/81/20/724398120.db2.gz FAWBBCHNCASARP-OAHLLOKOSA-N -1 3 368.202 3.298 20 10 FGCDHM CC[C@@H]1CN(Cc2cc(Br)ccc2[O-])[C@@H](CC)CN1C(C)=O ZINC000769494962 723687288 /nfs/dbraw/zinc/68/72/88/723687288.db2.gz CUMVHPYWVURWKQ-JKSUJKDBSA-N -1 3 369.303 3.376 20 10 FGCDHM CCN(CC)C(=O)[C@H]1CCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781903358 724609951 /nfs/dbraw/zinc/60/99/51/724609951.db2.gz ZSVDHWSPTRQFDM-OAHLLOKOSA-N -1 3 369.303 3.296 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000781911598 724611006 /nfs/dbraw/zinc/61/10/06/724611006.db2.gz MGEYCZYFOZIVKG-YPMHNXCESA-N -1 3 368.193 3.351 20 10 FGCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCCCS1 ZINC000783587128 724768553 /nfs/dbraw/zinc/76/85/53/724768553.db2.gz BFXSFIHTHFNTDR-WBVHZDCISA-N -1 3 368.930 3.412 20 10 FGCDHM CCc1nnc([C@@H](C)N[C@H](C)c2cc(Br)cc(F)c2[O-])[nH]1 ZINC000756779617 722970026 /nfs/dbraw/zinc/97/00/26/722970026.db2.gz UMAPRFOGSQOILZ-HTQZYQBOSA-N -1 3 357.227 3.386 20 10 FGCDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2CC)ccc1F ZINC000790415703 723137743 /nfs/dbraw/zinc/13/77/43/723137743.db2.gz IHJDLHFSBCHCJB-UHFFFAOYSA-N -1 3 367.398 3.071 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN[C@@H](c2nc[nH]n2)c2ccccc2)c1 ZINC000761511928 723161171 /nfs/dbraw/zinc/16/11/71/723161171.db2.gz VLQSXINDRFEFHC-OAHLLOKOSA-N -1 3 373.254 3.460 20 10 FGCDHM O=C(NCC(F)(F)F)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792167383 723317319 /nfs/dbraw/zinc/31/73/19/723317319.db2.gz RIHFVSGQFGQUJL-UHFFFAOYSA-N -1 3 368.758 3.075 20 10 FGCDHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769751234 723694008 /nfs/dbraw/zinc/69/40/08/723694008.db2.gz FUYFBPRWMZPGHS-BBRMVZONSA-N -1 3 368.499 3.098 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C(N)=O)c1ccccc1 ZINC000772797649 723768312 /nfs/dbraw/zinc/76/83/12/723768312.db2.gz HWEVMEIEGKWISR-INIZCTEOSA-N -1 3 363.255 3.203 20 10 FGCDHM COc1cc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)ccc1O ZINC000797820447 723866902 /nfs/dbraw/zinc/86/69/02/723866902.db2.gz YDUSNQBWYQOEHK-UHFFFAOYSA-N -1 3 357.815 3.172 20 10 FGCDHM Cc1ccncc1N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000798961708 723980530 /nfs/dbraw/zinc/98/05/30/723980530.db2.gz CKTYKBPXFCYTIO-UHFFFAOYSA-N -1 3 362.271 3.180 20 10 FGCDHM [O-]c1ccc(Br)cc1CNCc1cnn(-c2ccccc2)n1 ZINC000776026585 724098927 /nfs/dbraw/zinc/09/89/27/724098927.db2.gz PPNVHTDGZVYDNJ-UHFFFAOYSA-N -1 3 359.227 3.025 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2ccc(C(N)=O)c(F)c2)c1 ZINC000812346581 725394827 /nfs/dbraw/zinc/39/48/27/725394827.db2.gz YQBYYEVWGJUFNZ-UHFFFAOYSA-N -1 3 353.191 3.313 20 10 FGCDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2ncc(Br)cn2)c1[O-] ZINC000814654643 726990104 /nfs/dbraw/zinc/99/01/04/726990104.db2.gz FCIGMDBBFMQWQG-MRVPVSSYSA-N -1 3 368.206 3.137 20 10 FGCDHM C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000817046940 727216585 /nfs/dbraw/zinc/21/65/85/727216585.db2.gz HJIJKMDQZCPCRD-NSHDSACASA-N -1 3 364.804 3.241 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000824615165 729350847 /nfs/dbraw/zinc/35/08/47/729350847.db2.gz BPGHNDGOKGCYMB-CYBMUJFWSA-N -1 3 371.275 3.126 20 10 FGCDHM COC(=O)[C@@H]1CCN(Cc2cc(C)cc(Br)c2[O-])C[C@@H]1C ZINC000827545167 729431561 /nfs/dbraw/zinc/43/15/61/729431561.db2.gz VEWFHSCQKXISHJ-WCQYABFASA-N -1 3 356.260 3.094 20 10 FGCDHM O=c1cc(C(F)(F)F)nc(C=Cc2ccc(N3CCOCC3)cc2)[n-]1 ZINC000848642619 731190821 /nfs/dbraw/zinc/19/08/21/731190821.db2.gz IUMPOCZKMNGMMX-UTCJRWHESA-N -1 3 351.328 3.208 20 10 FGCDHM CC[C@H](NCc1nc(C(N)=O)cs1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850541385 731371241 /nfs/dbraw/zinc/37/12/41/731371241.db2.gz VVXUSDPFUQOHRX-JTQLQIEISA-N -1 3 359.373 3.207 20 10 FGCDHM CN(C)c1ccc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c(C(F)(F)F)c1 ZINC000859807188 732396602 /nfs/dbraw/zinc/39/66/02/732396602.db2.gz YFXHRURPBMXANO-HNNXBMFYSA-N -1 3 356.388 3.458 20 10 FGCDHM COc1cc(Cl)cc([C@H]2NC(C)(C)C(=O)N2CC2CCCC2)c1[O-] ZINC000877856795 736735750 /nfs/dbraw/zinc/73/57/50/736735750.db2.gz HTISECLLFGMLBX-INIZCTEOSA-N -1 3 352.862 3.453 20 10 FGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(n2ccnc2)CC1 ZINC000893981649 742222342 /nfs/dbraw/zinc/22/23/42/742222342.db2.gz WKOIDOBTMCCOHJ-UHFFFAOYSA-N -1 3 354.223 3.327 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(CO)(C(F)(F)F)CC2)c1[O-] ZINC000932824128 761254322 /nfs/dbraw/zinc/25/43/22/761254322.db2.gz ISMNSNLODGLMEW-UHFFFAOYSA-N -1 3 365.779 3.385 20 10 FGCDHM O=C(NCc1c([O-])cccc1F)Nc1c(Br)cnn1C1CC1 ZINC000934363599 761606098 /nfs/dbraw/zinc/60/60/98/761606098.db2.gz SQXAXJYHDMDIMU-UHFFFAOYSA-N -1 3 369.194 3.147 20 10 FGCDHM Cc1noc(C2CCN(Cc3cc(Br)ccc3[O-])CC2)n1 ZINC000091833518 494696284 /nfs/dbraw/zinc/69/62/84/494696284.db2.gz MDZBUTTUDNJOCI-UHFFFAOYSA-N -1 3 352.232 3.226 20 10 FGCDHM COCCCOC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000177291678 496007783 /nfs/dbraw/zinc/00/77/83/496007783.db2.gz AIOLBMWKNNIAKB-UHFFFAOYSA-N -1 3 355.862 3.266 20 10 FGCDHM CCO[C@H]1C[C@@H](O)C12CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])CC2 ZINC000177290545 496008041 /nfs/dbraw/zinc/00/80/41/496008041.db2.gz XPMKZJRRGOHQEY-SJORKVTESA-N -1 3 367.873 3.000 20 10 FGCDHM CO[C@@H]1CC[C@H]2OCCN(Cc3cc(Br)cc(C)c3[O-])[C@H]2C1 ZINC000180779144 496143347 /nfs/dbraw/zinc/14/33/47/496143347.db2.gz VMUWOHAMHYOTQF-OWCLPIDISA-N -1 3 370.287 3.231 20 10 FGCDHM COC[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1ccc(F)c(F)c1 ZINC000181447523 496400124 /nfs/dbraw/zinc/40/01/24/496400124.db2.gz BTVJKRPDEJRZQL-QGZVFWFLSA-N -1 3 353.340 3.489 20 10 FGCDHM C[C@@H](NCc1nnc2n1CCCCC2)c1ccc(Br)cc1[O-] ZINC000184878289 496569118 /nfs/dbraw/zinc/56/91/18/496569118.db2.gz SMRKXVNOAFINHO-LLVKDONJSA-N -1 3 365.275 3.323 20 10 FGCDHM C[S@@](=O)C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000182107629 496672060 /nfs/dbraw/zinc/67/20/60/496672060.db2.gz WDYWXXBQESBHDO-JBEBIEQOSA-N -1 3 368.842 3.163 20 10 FGCDHM C[C@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1ccc(F)cc1[O-] ZINC000273426769 496802766 /nfs/dbraw/zinc/80/27/66/496802766.db2.gz UMXBATUBECLZHD-VIFPVBQESA-N -1 3 354.307 3.444 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(NC(=O)[C@H](C)OC)c2)c1 ZINC000273480113 496818762 /nfs/dbraw/zinc/81/87/62/496818762.db2.gz LWCOPGWOTWWSAI-STQMWFEESA-N -1 3 372.421 3.325 20 10 FGCDHM C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000273612116 496853934 /nfs/dbraw/zinc/85/39/34/496853934.db2.gz WGZSSRNUPPACGJ-OLZOCXBDSA-N -1 3 366.458 3.193 20 10 FGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CCc2c1cccc2O ZINC000277902288 496928241 /nfs/dbraw/zinc/92/82/41/496928241.db2.gz PPJHCKIESOFRGU-OAHLLOKOSA-N -1 3 372.808 3.203 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc3c(cc2OC)CCC(=O)N3)c1 ZINC000274374022 497082056 /nfs/dbraw/zinc/08/20/56/497082056.db2.gz LMALZSKFPIQYHK-LLVKDONJSA-N -1 3 370.405 3.245 20 10 FGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000189430497 497116156 /nfs/dbraw/zinc/11/61/56/497116156.db2.gz YGFSEZRLWGRUDL-GFCCVEGCSA-N -1 3 374.462 3.053 20 10 FGCDHM COc1c([O-])c(CNc2ccc(N3CCOCC3)cc2C)ccc1[N+](=O)[O-] ZINC000278625316 497171766 /nfs/dbraw/zinc/17/17/66/497171766.db2.gz GIJIHCPHUCSEAI-UHFFFAOYSA-N -1 3 373.409 3.066 20 10 FGCDHM O=S1(=O)CC[C@@H](N(Cc2cc(-c3ccccc3)ccc2[O-])C2CC2)C1 ZINC000271061293 497256033 /nfs/dbraw/zinc/25/60/33/497256033.db2.gz GNPIFCNKKFMULM-LJQANCHMSA-N -1 3 357.475 3.211 20 10 FGCDHM COc1c([O-])c(CNCc2ccnc(OC3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000278891941 497257621 /nfs/dbraw/zinc/25/76/21/497257621.db2.gz PTKMCEMTDJHGMU-UHFFFAOYSA-N -1 3 373.409 3.315 20 10 FGCDHM COc1ccc(OC)c([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278936636 497273891 /nfs/dbraw/zinc/27/38/91/497273891.db2.gz WZEQGYUKHWEDDC-NSHDSACASA-N -1 3 362.382 3.177 20 10 FGCDHM COCc1ccccc1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277241949 497785959 /nfs/dbraw/zinc/78/59/59/497785959.db2.gz HJOZGCOCIOXCCR-UHFFFAOYSA-N -1 3 374.824 3.156 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000289591240 498208013 /nfs/dbraw/zinc/20/80/13/498208013.db2.gz KJZVQRLGQQMHCP-PWSUYJOCSA-N -1 3 368.193 3.147 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC3(CCOCC3)[C@@H]2C2CC2)c1[O-] ZINC000293627623 498434024 /nfs/dbraw/zinc/43/40/24/498434024.db2.gz LCYNUXJHGJSNBC-INIZCTEOSA-N -1 3 352.818 3.345 20 10 FGCDHM CC(C)(CO)[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccnc1 ZINC000293657614 498442954 /nfs/dbraw/zinc/44/29/54/498442954.db2.gz NPQBZAMERQVYFA-INIZCTEOSA-N -1 3 365.817 3.198 20 10 FGCDHM COC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1cccc(Cl)c1 ZINC000290275010 498491457 /nfs/dbraw/zinc/49/14/57/498491457.db2.gz YINUYLTZRKIGTO-AWEZNQCLSA-N -1 3 366.801 3.440 20 10 FGCDHM Cc1nc([C@H]2CCCN(Cc3cc(Br)ccc3[O-])C2)no1 ZINC000362385589 498506934 /nfs/dbraw/zinc/50/69/34/498506934.db2.gz CDVQKSKDAHCAJY-NSHDSACASA-N -1 3 352.232 3.226 20 10 FGCDHM C[C@H](NCc1ncnn1C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000282461766 498521822 /nfs/dbraw/zinc/52/18/22/498521822.db2.gz FZPOMLSZUONXTC-JTQLQIEISA-N -1 3 353.264 3.352 20 10 FGCDHM COc1c([O-])c(CN2CC[C@H](n3cc4ccccc4n3)C2)ccc1[N+](=O)[O-] ZINC000365793349 498642711 /nfs/dbraw/zinc/64/27/11/498642711.db2.gz GEWICWVSSYURPW-HNNXBMFYSA-N -1 3 368.393 3.106 20 10 FGCDHM COCCCCc1cccnc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000291142771 498813381 /nfs/dbraw/zinc/81/33/81/498813381.db2.gz YESDSSAJXGZSLF-UHFFFAOYSA-N -1 3 361.398 3.285 20 10 FGCDHM C[C@H](Nc1cccc2c1CCN(S(C)(=O)=O)C2)c1cc(F)ccc1[O-] ZINC000363846910 499022714 /nfs/dbraw/zinc/02/27/14/499022714.db2.gz CLPDYBVUYWLAFQ-LBPRGKRZSA-N -1 3 364.442 3.022 20 10 FGCDHM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000291669178 499030339 /nfs/dbraw/zinc/03/03/39/499030339.db2.gz GBONBSHXSQRJPB-QWHCGFSZSA-N -1 3 368.499 3.051 20 10 FGCDHM Cc1cc(Cl)cc(CNCc2nnc3n2C[C@@H](C(F)(F)F)CC3)c1[O-] ZINC000376843817 499640141 /nfs/dbraw/zinc/64/01/41/499640141.db2.gz HQMFMVWBEZAOKR-NSHDSACASA-N -1 3 374.794 3.360 20 10 FGCDHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000818052357 597245883 /nfs/dbraw/zinc/24/58/83/597245883.db2.gz GOMUHXOSJOAKJX-CQSZACIVSA-N -1 3 358.413 3.211 20 10 FGCDHM O=C([O-])c1cc(F)ccc1C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000740076454 600314356 /nfs/dbraw/zinc/31/43/56/600314356.db2.gz YVQOZMUKRSDMAU-QGZVFWFLSA-N -1 3 359.397 3.411 20 10 FGCDHM O=C([O-])c1cc(F)ccc1C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000740076454 600314359 /nfs/dbraw/zinc/31/43/59/600314359.db2.gz YVQOZMUKRSDMAU-QGZVFWFLSA-N -1 3 359.397 3.411 20 10 FGCDHM C[C@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@H]1C(=O)[O-] ZINC000828457101 601813907 /nfs/dbraw/zinc/81/39/07/601813907.db2.gz RHEWIBJGLCZQKU-HZMBPMFUSA-N -1 3 364.239 3.460 20 10 FGCDHM C[C@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@H]1C(=O)[O-] ZINC000828457101 601813908 /nfs/dbraw/zinc/81/39/08/601813908.db2.gz RHEWIBJGLCZQKU-HZMBPMFUSA-N -1 3 364.239 3.460 20 10 FGCDHM Cc1cc(Br)cc(CN2CC[C@@H](NC(=O)[O-])C[C@H]2C)c1O ZINC000833897388 605996268 /nfs/dbraw/zinc/99/62/68/605996268.db2.gz JRIASVAXYZPQOK-ZWNOBZJWSA-N -1 3 357.248 3.084 20 10 FGCDHM Cc1cc(N(C)C)ccc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826268699 608228857 /nfs/dbraw/zinc/22/88/57/608228857.db2.gz JQQATDNBWLUIPJ-UHFFFAOYSA-N -1 3 359.437 3.401 20 10 FGCDHM Cc1cc(N(C)C)ccc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826268699 608228859 /nfs/dbraw/zinc/22/88/59/608228859.db2.gz JQQATDNBWLUIPJ-UHFFFAOYSA-N -1 3 359.437 3.401 20 10 FGCDHM COc1cc(NC(=O)CN(C)Cc2cc(Cl)ccc2[O-])cc(OC)c1 ZINC000091889313 700427965 /nfs/dbraw/zinc/42/79/65/700427965.db2.gz APOTVYDURZQQIT-UHFFFAOYSA-N -1 3 364.829 3.133 20 10 FGCDHM Cc1cc(S(=O)(=O)[N-]CCCSc2nccs2)c(F)cc1F ZINC000175797475 705559108 /nfs/dbraw/zinc/55/91/08/705559108.db2.gz ICKCPCIDHXMSIR-UHFFFAOYSA-N -1 3 364.464 3.190 20 10 FGCDHM Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c([O-])c1O ZINC000179403767 705700639 /nfs/dbraw/zinc/70/06/39/705700639.db2.gz WCEGZFXTQRSYRX-UHFFFAOYSA-N -1 3 362.813 3.149 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2nnc([C@@H]3CCCO3)o2)c1 ZINC000781559859 724574359 /nfs/dbraw/zinc/57/43/59/724574359.db2.gz LFPCZOUNWJFANQ-NSHDSACASA-N -1 3 354.204 3.310 20 10 FGCDHM C[C@@H](C[S@@](C)=O)N(C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708075936 722412733 /nfs/dbraw/zinc/41/27/33/722412733.db2.gz QQGKWPHKGIXASF-DCXZOGHSSA-N -1 3 354.697 3.007 20 10 FGCDHM C[C@H](C[S@@](C)=O)N(C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708075937 722412608 /nfs/dbraw/zinc/41/26/08/722412608.db2.gz QQGKWPHKGIXASF-NTCNTBNZSA-N -1 3 354.697 3.007 20 10 FGCDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)c(F)cc1F ZINC000753369027 722895880 /nfs/dbraw/zinc/89/58/80/722895880.db2.gz UKLGOYYOPVRHIB-UHFFFAOYSA-N -1 3 366.433 3.352 20 10 FGCDHM CCCC[C@@H](CCC)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000754036960 722924075 /nfs/dbraw/zinc/92/40/75/722924075.db2.gz SVQJGAUKANTNKF-CYBMUJFWSA-N -1 3 356.488 3.100 20 10 FGCDHM CSC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000789816906 723076073 /nfs/dbraw/zinc/07/60/73/723076073.db2.gz RAHIUBWBEPFCRG-CQSZACIVSA-N -1 3 354.903 3.022 20 10 FGCDHM COc1ccc(N2CCC(NC(=O)c3cc([O-])ccc3Cl)CC2)cc1 ZINC000764472640 723415967 /nfs/dbraw/zinc/41/59/67/723415967.db2.gz RVYBNFIUISPKOA-UHFFFAOYSA-N -1 3 360.841 3.453 20 10 FGCDHM COC(=O)CN(Cc1cn(C(C)C)nc1C)Cc1cc(Cl)ccc1[O-] ZINC000798945550 723977549 /nfs/dbraw/zinc/97/75/49/723977549.db2.gz VMHDQUQWRXNTHP-UHFFFAOYSA-N -1 3 365.861 3.307 20 10 FGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000775993755 724094715 /nfs/dbraw/zinc/09/47/15/724094715.db2.gz BKOYYGPBRZYJGA-UHFFFAOYSA-N -1 3 364.852 3.492 20 10 FGCDHM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(C)cc(Br)c1[O-] ZINC000786580083 724989787 /nfs/dbraw/zinc/98/97/87/724989787.db2.gz XKIYUGJCAYNHKR-WHOFXGATSA-N -1 3 368.271 3.237 20 10 FGCDHM [O-]c1c(Br)cccc1CNCc1nc(-c2ccccc2)no1 ZINC000788430603 725063943 /nfs/dbraw/zinc/06/39/43/725063943.db2.gz ABRZIRZWXHNIMG-UHFFFAOYSA-N -1 3 360.211 3.495 20 10 FGCDHM COC(=O)CN(CCCc1cnccc1C)Cc1cc(Cl)ccc1[O-] ZINC000809571730 725248520 /nfs/dbraw/zinc/24/85/20/725248520.db2.gz AYRGPDZRCDQKOK-UHFFFAOYSA-N -1 3 362.857 3.357 20 10 FGCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2[O-])[C@H](C(F)F)C1 ZINC000809784460 725268585 /nfs/dbraw/zinc/26/85/85/725268585.db2.gz VOXSDYMRIJNWCV-ZDUSSCGKSA-N -1 3 360.376 3.218 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H](OC(=O)N(C)C)C2)c1 ZINC000824615167 729351049 /nfs/dbraw/zinc/35/10/49/729351049.db2.gz BPGHNDGOKGCYMB-ZDUSSCGKSA-N -1 3 371.275 3.126 20 10 FGCDHM C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(Br)cc1[O-] ZINC000825888333 729398498 /nfs/dbraw/zinc/39/84/98/729398498.db2.gz YVQRWBMIXZEFNR-PELKAZGASA-N -1 3 354.166 3.306 20 10 FGCDHM CCOC(=O)C[C@H](NCc1ccc(Br)cc1[O-])C(F)(F)F ZINC000827001019 729421280 /nfs/dbraw/zinc/42/12/80/729421280.db2.gz RJHPLCJEADBPOB-NSHDSACASA-N -1 3 370.165 3.128 20 10 FGCDHM O=C(CSC(F)F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000827095522 729424094 /nfs/dbraw/zinc/42/40/94/729424094.db2.gz IMRLWWHTXKXBDY-GFCCVEGCSA-N -1 3 364.845 3.082 20 10 FGCDHM Cn1ncc2c1CC(C)(C)CN(Cc1ccc(Br)cc1[O-])C2 ZINC000828013902 729438443 /nfs/dbraw/zinc/43/84/43/729438443.db2.gz OASIAJWKVVAFIG-UHFFFAOYSA-N -1 3 364.287 3.473 20 10 FGCDHM Cc1cc([O-])c(CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)c(Cl)c1 ZINC000840920978 730191784 /nfs/dbraw/zinc/19/17/84/730191784.db2.gz LLJJGQJYCLJBCD-SUMWQHHRSA-N -1 3 351.830 3.272 20 10 FGCDHM COC(=O)c1nc(CN[C@H](C)c2cc(F)cc(F)c2[O-])ccc1Cl ZINC000850512975 731367264 /nfs/dbraw/zinc/36/72/64/731367264.db2.gz BJNJFZNTVQXHAR-MRVPVSSYSA-N -1 3 356.756 3.356 20 10 FGCDHM C[C@@H](NCc1c([O-])cccc1Br)c1nnc2n1CCCCC2 ZINC000858094829 732179905 /nfs/dbraw/zinc/17/99/05/732179905.db2.gz IEYNOKXNENJCGZ-LLVKDONJSA-N -1 3 365.275 3.323 20 10 FGCDHM [O-]c1cccc(Br)c1CN1CCN(c2ccc(O)cc2)CC1 ZINC000862211078 732786776 /nfs/dbraw/zinc/78/67/76/732786776.db2.gz CWTZYDAMZUITSW-UHFFFAOYSA-N -1 3 363.255 3.183 20 10 FGCDHM CN(C)c1cccc(CNCc2cc(Br)cc(F)c2[O-])n1 ZINC000883075428 737518584 /nfs/dbraw/zinc/51/85/84/737518584.db2.gz BMYORVLMSFNSQG-UHFFFAOYSA-N -1 3 354.223 3.045 20 10 FGCDHM C[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1c([O-])cccc1F ZINC000886564076 739268816 /nfs/dbraw/zinc/26/88/16/739268816.db2.gz MRQQBRGUCONXFQ-LBPRGKRZSA-N -1 3 350.415 3.244 20 10 FGCDHM Cc1ccc([C@H](NCc2cc(F)cc(F)c2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000894647931 742314005 /nfs/dbraw/zinc/31/40/05/742314005.db2.gz HESWCZXVWAOBEU-SJKOYZFVSA-N -1 3 369.433 3.243 20 10 FGCDHM COC(=O)c1oc(CNCc2cc(Br)cc(F)c2[O-])cc1C ZINC000895444578 742412778 /nfs/dbraw/zinc/41/27/78/742412778.db2.gz NOBKBVQHQLEBPG-UHFFFAOYSA-N -1 3 372.190 3.272 20 10 FGCDHM O=S(=O)(NCc1c([O-])cccc1F)C1CCC(C(F)(F)F)CC1 ZINC000921452612 758718387 /nfs/dbraw/zinc/71/83/87/758718387.db2.gz UIPXSSAMOKDPSS-UHFFFAOYSA-N -1 3 355.353 3.072 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1cncc(Br)c1 ZINC000928356347 760160690 /nfs/dbraw/zinc/16/06/90/760160690.db2.gz ZDYRLRWJVNAGGD-CYBMUJFWSA-N -1 3 363.211 3.233 20 10 FGCDHM CCCC(=O)NC[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092707608 494721293 /nfs/dbraw/zinc/72/12/93/494721293.db2.gz LFLLHSHNQYFGSS-LBPRGKRZSA-N -1 3 369.849 3.082 20 10 FGCDHM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092011280 494753989 /nfs/dbraw/zinc/75/39/89/494753989.db2.gz NNHDSWIZOQAQBG-BZNIZROVSA-N -1 3 370.280 3.378 20 10 FGCDHM CCCOc1ccc(CN2CCN(Cc3nc(C)c(C)o3)CC2)c([O-])c1 ZINC000093056230 494818290 /nfs/dbraw/zinc/81/82/90/494818290.db2.gz PMPYZBUXSPSBGO-UHFFFAOYSA-N -1 3 359.470 3.104 20 10 FGCDHM C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000186027481 495826939 /nfs/dbraw/zinc/82/69/39/495826939.db2.gz CXZFWYJIQYUBGE-SNVBAGLBSA-N -1 3 364.305 3.019 20 10 FGCDHM C[C@@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1ccc(F)cc1[O-] ZINC000186656968 496093451 /nfs/dbraw/zinc/09/34/51/496093451.db2.gz YCOIKEMHVLIVJF-LLVKDONJSA-N -1 3 350.415 3.027 20 10 FGCDHM CC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccccc1O ZINC000157610040 496514041 /nfs/dbraw/zinc/51/40/41/496514041.db2.gz VXYUOIKSNCQBCP-AWEZNQCLSA-N -1 3 350.440 3.336 20 10 FGCDHM C[C@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273387168 496791714 /nfs/dbraw/zinc/79/17/14/496791714.db2.gz JWPMHTVQOLFNIA-KXBFYZLASA-N -1 3 371.437 3.025 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)c1nnnn1C1CC1 ZINC000192050243 496976936 /nfs/dbraw/zinc/97/69/36/496976936.db2.gz AMJKSQCSAVYXTP-JTQLQIEISA-N -1 3 366.263 3.059 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000270364909 497110968 /nfs/dbraw/zinc/11/09/68/497110968.db2.gz SDVMRXNDVGJGNZ-JTQLQIEISA-N -1 3 367.247 3.171 20 10 FGCDHM COc1c([O-])c(CNc2ccc(OC[C@H]3CCCO3)cc2)ccc1[N+](=O)[O-] ZINC000278614239 497168003 /nfs/dbraw/zinc/16/80/03/497168003.db2.gz FCRGIHPJZONFSD-MRXNPFEDSA-N -1 3 374.393 3.479 20 10 FGCDHM COCCOc1ccc(F)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278640266 497176071 /nfs/dbraw/zinc/17/60/71/497176071.db2.gz HUFYLQKMGPIVFF-UHFFFAOYSA-N -1 3 366.345 3.085 20 10 FGCDHM CCCC(=O)Nc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278886303 497255393 /nfs/dbraw/zinc/25/53/93/497255393.db2.gz OUHUDTQVRMEVGA-UHFFFAOYSA-N -1 3 373.409 3.337 20 10 FGCDHM COc1ccc(OC)c([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278936632 497273575 /nfs/dbraw/zinc/27/35/75/497273575.db2.gz WZEQGYUKHWEDDC-LLVKDONJSA-N -1 3 362.382 3.177 20 10 FGCDHM Cc1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])c(-n2cc(Cl)cn2)n1 ZINC000190303002 497430270 /nfs/dbraw/zinc/43/02/70/497430270.db2.gz ZAIXFCUUJRWMOZ-UHFFFAOYSA-N -1 3 373.800 3.133 20 10 FGCDHM CCOC(=O)[C@@H](NCc1cc(Cl)cc(OC)c1[O-])c1cccc(O)c1 ZINC000276770620 497648373 /nfs/dbraw/zinc/64/83/73/497648373.db2.gz OQUKKIYFZKORFZ-INIZCTEOSA-N -1 3 365.813 3.154 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cc1ncccc1F ZINC000280495896 497771151 /nfs/dbraw/zinc/77/11/51/497771151.db2.gz WBYLPAGIEAPPOM-UHFFFAOYSA-N -1 3 367.218 3.280 20 10 FGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000191331183 497782785 /nfs/dbraw/zinc/78/27/85/497782785.db2.gz UAEOEHCWQLBNNK-NSHDSACASA-N -1 3 350.825 3.102 20 10 FGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CCc1cccs1 ZINC000277268790 497791928 /nfs/dbraw/zinc/79/19/28/497791928.db2.gz IFHVYWKICRLRCS-UHFFFAOYSA-N -1 3 350.827 3.114 20 10 FGCDHM COc1cc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])cc(OC)c1OC ZINC000364829297 498163473 /nfs/dbraw/zinc/16/34/73/498163473.db2.gz JBEAWYFWYGQHME-CQSZACIVSA-N -1 3 373.405 3.101 20 10 FGCDHM CC[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000285775550 498197908 /nfs/dbraw/zinc/19/79/08/498197908.db2.gz TUYIREKCFQRQDV-INIZCTEOSA-N -1 3 366.458 3.023 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN[C@@]2(CO)CCOc3ccccc32)c1[O-] ZINC000281805024 498276135 /nfs/dbraw/zinc/27/61/35/498276135.db2.gz VORYVBSGBPGZAL-LJQANCHMSA-N -1 3 361.825 3.008 20 10 FGCDHM C[C@H](Nc1cccc2c1CCN(S(C)(=O)=O)C2)c1ccc(F)cc1[O-] ZINC000368234871 499276626 /nfs/dbraw/zinc/27/66/26/499276626.db2.gz MSOHGOXXIAFROI-LBPRGKRZSA-N -1 3 364.442 3.022 20 10 FGCDHM COc1c([O-])c(CN[C@@H]2CCCc3cnn(C(C)C)c32)ccc1[N+](=O)[O-] ZINC000375716331 499548433 /nfs/dbraw/zinc/54/84/33/499548433.db2.gz AZSSGNDUOURGGI-CQSZACIVSA-N -1 3 360.414 3.254 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000376507685 499613615 /nfs/dbraw/zinc/61/36/15/499613615.db2.gz XLWFJEOVKJPTLD-CYBMUJFWSA-N -1 3 370.287 3.172 20 10 FGCDHM COc1c([O-])c(CNCc2nnc(-c3ccccc3)s2)ccc1[N+](=O)[O-] ZINC000377081887 499660108 /nfs/dbraw/zinc/66/01/08/499660108.db2.gz JNUHIYDUOMLAFZ-UHFFFAOYSA-N -1 3 372.406 3.117 20 10 FGCDHM CN1CCN([C@@H]2CCCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000377698027 499721454 /nfs/dbraw/zinc/72/14/54/499721454.db2.gz PGFUDXHMCUCYDX-MRXNPFEDSA-N -1 3 372.340 3.301 20 10 FGCDHM [O-]c1c(Br)cccc1CNC[C@H](n1cccn1)C(F)(F)F ZINC000527742334 503923364 /nfs/dbraw/zinc/92/33/64/503923364.db2.gz JXMXBAFXQFSXRS-NSHDSACASA-N -1 3 364.165 3.244 20 10 FGCDHM CC[C@@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(C)C ZINC000736360966 598611436 /nfs/dbraw/zinc/61/14/36/598611436.db2.gz DOTVYBSXSFBIMH-GOSISDBHSA-N -1 3 366.469 3.439 20 10 FGCDHM C[C@H]([NH2+]Cc1cccc(Br)c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820433221 599394596 /nfs/dbraw/zinc/39/45/96/599394596.db2.gz WEDMONMNWRQRGD-JTQLQIEISA-N -1 3 374.242 3.186 20 10 FGCDHM O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1F ZINC000833315499 601634595 /nfs/dbraw/zinc/63/45/95/601634595.db2.gz WYTCISSSRHBKKC-MRXNPFEDSA-N -1 3 359.397 3.411 20 10 FGCDHM O=C([O-])c1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1F ZINC000833315499 601634596 /nfs/dbraw/zinc/63/45/96/601634596.db2.gz WYTCISSSRHBKKC-MRXNPFEDSA-N -1 3 359.397 3.411 20 10 FGCDHM CCOc1ccc(O)c(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000833662641 604675000 /nfs/dbraw/zinc/67/50/00/604675000.db2.gz JBJCFWXNZUIDBS-KRWDZBQOSA-N -1 3 369.339 3.466 20 10 FGCDHM O=C([O-])N[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000834159377 605795830 /nfs/dbraw/zinc/79/58/30/605795830.db2.gz SRTOVGDKOFUNNB-WOJBJXKFSA-N -1 3 367.449 3.067 20 10 FGCDHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(N4CCCC4)c3)ccc2O1 ZINC000111995282 700553243 /nfs/dbraw/zinc/55/32/43/700553243.db2.gz VHEDGGCDUKTIGQ-CQSZACIVSA-N -1 3 358.463 3.411 20 10 FGCDHM COC(=O)CN(Cc1n[nH]c2ccccc21)Cc1cc(Cl)ccc1[O-] ZINC000769381198 723683790 /nfs/dbraw/zinc/68/37/90/723683790.db2.gz LYEKLXJBENEGEO-UHFFFAOYSA-N -1 3 359.813 3.097 20 10 FGCDHM COc1c([O-])c(CNc2ccc(Br)nc2)ccc1[N+](=O)[O-] ZINC000775058502 723956880 /nfs/dbraw/zinc/95/68/80/723956880.db2.gz URJFOJPXFSYYMS-UHFFFAOYSA-N -1 3 354.160 3.079 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCS[C@H]3COCC[C@H]32)c1 ZINC000781907772 724610480 /nfs/dbraw/zinc/61/04/80/724610480.db2.gz IOGDVQIIYKHLKW-KGLIPLIRSA-N -1 3 358.301 3.169 20 10 FGCDHM O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cccc(O)c1[O-] ZINC000790920905 723193716 /nfs/dbraw/zinc/19/37/16/723193716.db2.gz CUGBVONYMQLOBY-SNVBAGLBSA-N -1 3 367.232 3.413 20 10 FGCDHM COc1cnccc1N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000793371618 723431567 /nfs/dbraw/zinc/43/15/67/723431567.db2.gz UTXWIOXLYHERQX-UHFFFAOYSA-N -1 3 368.264 3.425 20 10 FGCDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)c(F)cc1F ZINC000773088846 723776498 /nfs/dbraw/zinc/77/64/98/723776498.db2.gz PKHUAONLABYPOK-LBPRGKRZSA-N -1 3 354.422 3.379 20 10 FGCDHM COC(=O)[C@@H](NCc1cc(Br)ccc1[O-])c1cccs1 ZINC000789571668 725137018 /nfs/dbraw/zinc/13/70/18/725137018.db2.gz LAUYBDNJNMACFN-ZDUSSCGKSA-N -1 3 356.241 3.220 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CC=C(c3ccnn3C)CC2)c1 ZINC000809690697 725258971 /nfs/dbraw/zinc/25/89/71/725258971.db2.gz WLBIVXKZYGQKSA-UHFFFAOYSA-N -1 3 362.271 3.486 20 10 FGCDHM C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1cc(Br)ccc1[O-] ZINC000809697900 725259976 /nfs/dbraw/zinc/25/99/76/725259976.db2.gz RDXNCAOTDSEDDG-PRHODGIISA-N -1 3 354.166 3.306 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCN(c2ccc(F)cn2)CC1 ZINC000809749788 725264855 /nfs/dbraw/zinc/26/48/55/725264855.db2.gz RPYYUQZUOLVKBY-UHFFFAOYSA-N -1 3 366.234 3.011 20 10 FGCDHM Cc1cc(CNCc2cc(Cl)cc(F)c2[O-])nc(N2CCCC2)n1 ZINC000814178549 726945326 /nfs/dbraw/zinc/94/53/26/726945326.db2.gz UZTVVYHTNNGZIC-UHFFFAOYSA-N -1 3 350.825 3.173 20 10 FGCDHM CO[C@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000817356092 727242830 /nfs/dbraw/zinc/24/28/30/727242830.db2.gz DMZMVLDOBXISRC-CQSZACIVSA-N -1 3 355.843 3.045 20 10 FGCDHM O=C(Nc1ccn(-c2ccc(Br)cc2)n1)c1cccc(O)c1[O-] ZINC000817814613 727285067 /nfs/dbraw/zinc/28/50/67/727285067.db2.gz IRYOZFFFHVCUDG-UHFFFAOYSA-N -1 3 374.194 3.298 20 10 FGCDHM CCCS(=O)(=O)Nc1ccc(NCc2cccc(F)c2[O-])c(F)c1 ZINC000824926795 729365402 /nfs/dbraw/zinc/36/54/02/729365402.db2.gz URFQMVNNAWRAFM-UHFFFAOYSA-N -1 3 356.394 3.434 20 10 FGCDHM Cc1cc([O-])c(CN2CCN(Cc3nccn3C(F)F)CC2)c(Cl)c1 ZINC000840911874 730190335 /nfs/dbraw/zinc/19/03/35/730190335.db2.gz BSTZPOCGEZOTIC-UHFFFAOYSA-N -1 3 370.831 3.263 20 10 FGCDHM CCCO[N-]C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000844082947 730683563 /nfs/dbraw/zinc/68/35/63/730683563.db2.gz JVABKRMWYRMCAF-BENRWUELSA-N -1 3 370.521 3.187 20 10 FGCDHM CC[C@@H](NCc1nc(C(N)=O)cs1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850541386 731371210 /nfs/dbraw/zinc/37/12/10/731371210.db2.gz VVXUSDPFUQOHRX-SNVBAGLBSA-N -1 3 359.373 3.207 20 10 FGCDHM O=S(=O)(c1ccc(NCc2c([O-])cccc2Cl)cc1)N1CCCC1 ZINC000863984127 733021124 /nfs/dbraw/zinc/02/11/24/733021124.db2.gz JURQQFJYHUILHR-UHFFFAOYSA-N -1 3 366.870 3.442 20 10 FGCDHM C[C@](CO)(NCc1c([O-])ccc(Cl)c1F)c1cccc([N+](=O)[O-])c1 ZINC000865705380 733254988 /nfs/dbraw/zinc/25/49/88/733254988.db2.gz POMCLVCBCGWMDT-MRXNPFEDSA-N -1 3 354.765 3.090 20 10 FGCDHM C[C@](CO)(NCc1cc(Cl)cc(F)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC000877692225 736706236 /nfs/dbraw/zinc/70/62/36/736706236.db2.gz WEDGPXKYRWTNAB-MRXNPFEDSA-N -1 3 354.765 3.090 20 10 FGCDHM CCc1nc([C@@H](C)NCc2cc(Cl)cc(Br)c2[O-])n[nH]1 ZINC000883078406 737519218 /nfs/dbraw/zinc/51/92/18/737519218.db2.gz QDZIGVIDFVMZDM-SSDOTTSWSA-N -1 3 359.655 3.339 20 10 FGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000893993784 742223963 /nfs/dbraw/zinc/22/39/63/742223963.db2.gz HBOGJPWBJOUSBX-CYBMUJFWSA-N -1 3 354.223 3.327 20 10 FGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(c2c[nH]cn2)CC1 ZINC000894028517 742228757 /nfs/dbraw/zinc/22/87/57/742228757.db2.gz SJZNHNLFEDORME-UHFFFAOYSA-N -1 3 354.223 3.397 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1cncc(Br)c1 ZINC000928356349 760160773 /nfs/dbraw/zinc/16/07/73/760160773.db2.gz ZDYRLRWJVNAGGD-ZDUSSCGKSA-N -1 3 363.211 3.233 20 10 FGCDHM O=C(NCc1c([O-])cccc1F)c1c(C(F)(F)F)nc2n1CCCC2 ZINC000928708077 760241585 /nfs/dbraw/zinc/24/15/85/760241585.db2.gz AISWUFRCIDMLBA-UHFFFAOYSA-N -1 3 357.307 3.013 20 10 FGCDHM CC(C)(C)n1ncc(C(=O)NCc2c([O-])cccc2F)c1C(F)(F)F ZINC000928712220 760244470 /nfs/dbraw/zinc/24/44/70/760244470.db2.gz OVZJEFGJSOHUPT-UHFFFAOYSA-N -1 3 359.323 3.432 20 10 FGCDHM Cc1cc(CC[N-]S(=O)(=O)c2c(C)noc2C)c(C)n1-c1ccccc1 ZINC000015365170 494351012 /nfs/dbraw/zinc/35/10/12/494351012.db2.gz UGPVGHOHVGTMBW-UHFFFAOYSA-N -1 3 373.478 3.220 20 10 FGCDHM C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N(C)Cc1ccccc1[O-] ZINC000109770673 494916746 /nfs/dbraw/zinc/91/67/46/494916746.db2.gz RBDPLBUCIWIYAL-CQSZACIVSA-N -1 3 356.422 3.013 20 10 FGCDHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1ccc([O-])c(Cl)c1)C(=O)C2 ZINC000133697335 495048502 /nfs/dbraw/zinc/04/85/02/495048502.db2.gz WFUZBZYAZRRQGV-QFYYESIMSA-N -1 3 357.859 3.183 20 10 FGCDHM COc1ccc(N[C@H](C)c2ccc(C)cc2O)cc1[N-]S(C)(=O)=O ZINC000186405241 495985118 /nfs/dbraw/zinc/98/51/18/495985118.db2.gz KNFVJPQPPOCKSM-GFCCVEGCSA-N -1 3 350.440 3.254 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1oc(C)nc1C ZINC000175260596 496312353 /nfs/dbraw/zinc/31/23/53/496312353.db2.gz OZIWFFHRQFWIMI-UHFFFAOYSA-N -1 3 353.216 3.422 20 10 FGCDHM Cc1ccc(-c2cc(C(=O)N3CCOc4cc(N(C)C)ccc43)n[n-]2)o1 ZINC000173207940 496592723 /nfs/dbraw/zinc/59/27/23/496592723.db2.gz OCFFMUGEHXUQFI-UHFFFAOYSA-N -1 3 352.394 3.083 20 10 FGCDHM Cc1ccc(-c2cc(C(=O)N3CCOc4cc(N(C)C)ccc43)[n-]n2)o1 ZINC000173207940 496592728 /nfs/dbraw/zinc/59/27/28/496592728.db2.gz OCFFMUGEHXUQFI-UHFFFAOYSA-N -1 3 352.394 3.083 20 10 FGCDHM O=C(CCc1ccncc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158073430 496622145 /nfs/dbraw/zinc/62/21/45/496622145.db2.gz UAWGGHFIWHGRRG-GOSISDBHSA-N -1 3 373.884 3.154 20 10 FGCDHM CC[C@@H](NCc1nnc2n1CCCC2)c1cc(Br)ccc1[O-] ZINC000158103442 496628252 /nfs/dbraw/zinc/62/82/52/496628252.db2.gz FUYJOKXRRMJHKU-CYBMUJFWSA-N -1 3 365.275 3.323 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 ZINC000273451718 496810479 /nfs/dbraw/zinc/81/04/79/496810479.db2.gz GECSLDRXJQAPAU-WDEREUQCSA-N -1 3 356.378 3.071 20 10 FGCDHM COc1cc(Cl)cc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000278448904 497117309 /nfs/dbraw/zinc/11/73/09/497117309.db2.gz XNOLMOOQXTYTMF-XPTSAGLGSA-N -1 3 353.768 3.189 20 10 FGCDHM COc1c([O-])c(CN[C@@H](C)c2cccc(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000278573496 497155833 /nfs/dbraw/zinc/15/58/33/497155833.db2.gz DBCVXCDIDNMLLD-NSHDSACASA-N -1 3 359.382 3.118 20 10 FGCDHM COc1c([O-])c(CN[C@@H](CN2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278863366 497245822 /nfs/dbraw/zinc/24/58/22/497245822.db2.gz MFEKNZXKIHMLOO-KRWDZBQOSA-N -1 3 371.437 3.236 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Nc1cnc(C)nc1 ZINC000266387489 497323710 /nfs/dbraw/zinc/32/37/10/497323710.db2.gz DVYQPOKKOSTTHO-UHFFFAOYSA-N -1 3 365.231 3.307 20 10 FGCDHM C[C@H](NC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1)c1cccs1 ZINC000255572541 497370138 /nfs/dbraw/zinc/37/01/38/497370138.db2.gz SDSMBTQPYICTDR-DOTOQJQBSA-N -1 3 374.506 3.312 20 10 FGCDHM C[C@H](N[C@H](c1nccn1C)C1CCOCC1)c1ccc(F)c(F)c1[O-] ZINC000284740819 497885568 /nfs/dbraw/zinc/88/55/68/497885568.db2.gz FCNSVVBPTBMYKY-ZBEGNZNMSA-N -1 3 351.397 3.222 20 10 FGCDHM C[C@H](N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000364499287 497988466 /nfs/dbraw/zinc/98/84/66/497988466.db2.gz BZALQKHXWSKLCK-ZBEGNZNMSA-N -1 3 364.367 3.261 20 10 FGCDHM C[C@@H](N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000364499284 497988596 /nfs/dbraw/zinc/98/85/96/497988596.db2.gz BZALQKHXWSKLCK-BDJLRTHQSA-N -1 3 364.367 3.261 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc(C)nc(N3CCCC3)c2)c1 ZINC000289583313 498204500 /nfs/dbraw/zinc/20/45/00/498204500.db2.gz BPTOYQVTSQJACE-OAHLLOKOSA-N -1 3 369.465 3.333 20 10 FGCDHM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc([O-])ccc1Cl ZINC000289686438 498247721 /nfs/dbraw/zinc/24/77/21/498247721.db2.gz CPGPIFWRWJELGL-UHFFFAOYSA-N -1 3 374.868 3.184 20 10 FGCDHM COc1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1[O-] ZINC000289857886 498325191 /nfs/dbraw/zinc/32/51/91/498325191.db2.gz VIEPGHQXWQQLCP-CMPLNLGQSA-N -1 3 353.768 3.047 20 10 FGCDHM CC(C)(CO)[C@H](NCc1cc(Br)ccc1[O-])c1cccnc1 ZINC000293509377 498400710 /nfs/dbraw/zinc/40/07/10/498400710.db2.gz ADKWJHBHCVKCCO-MRXNPFEDSA-N -1 3 365.271 3.399 20 10 FGCDHM CCOCc1nc([C@@H](C)N[C@@H](C)c2ccc(Br)cc2[O-])no1 ZINC000290279562 498494561 /nfs/dbraw/zinc/49/45/61/498494561.db2.gz XAOSWAPZTFHMGJ-VHSXEESVSA-N -1 3 370.247 3.486 20 10 FGCDHM COc1cc(Cl)cc(CN[C@H](c2nc(C)no2)C2CCOCC2)c1[O-] ZINC000372579155 499148862 /nfs/dbraw/zinc/14/88/62/499148862.db2.gz VWPPGBRVKJPSQK-HNNXBMFYSA-N -1 3 367.833 3.003 20 10 FGCDHM CCCOc1ccc(CN2CCO[C@H](c3nnc(C(C)C)o3)C2)c([O-])c1 ZINC000373495908 499473139 /nfs/dbraw/zinc/47/31/39/499473139.db2.gz NZVDTVQBZSXREF-KRWDZBQOSA-N -1 3 361.442 3.261 20 10 FGCDHM [O-]c1c(F)cccc1CN1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000376167218 499588420 /nfs/dbraw/zinc/58/84/20/499588420.db2.gz PBHMHETZRDIPDT-AWEZNQCLSA-N -1 3 355.373 3.099 20 10 FGCDHM CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000376212578 499591509 /nfs/dbraw/zinc/59/15/09/499591509.db2.gz UURUKNTWTWDQFT-CVEARBPZSA-N -1 3 367.287 3.130 20 10 FGCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469430948 502414854 /nfs/dbraw/zinc/41/48/54/502414854.db2.gz YGAADLAVQNVKKD-UHFFFAOYSA-N -1 3 358.413 3.346 20 10 FGCDHM COC[C@@]1(NCc2cc(Cl)cc(F)c2[O-])COc2ccccc2C1 ZINC000529667710 504756230 /nfs/dbraw/zinc/75/62/30/504756230.db2.gz CNRRRNLIWMDAPT-GOSISDBHSA-N -1 3 351.805 3.295 20 10 FGCDHM CCN(CC)c1ccc(CNc2nc(C)cc(C)c2-c2nnn[n-]2)cc1F ZINC000736530989 598556445 /nfs/dbraw/zinc/55/64/45/598556445.db2.gz BAINCJBPPZJPSY-UHFFFAOYSA-N -1 3 369.448 3.476 20 10 FGCDHM CCN(CC)c1ccc(CNc2nc(C)cc(C)c2-c2nn[n-]n2)cc1F ZINC000736530989 598556447 /nfs/dbraw/zinc/55/64/47/598556447.db2.gz BAINCJBPPZJPSY-UHFFFAOYSA-N -1 3 369.448 3.476 20 10 FGCDHM Cc1cc(C(=O)N(C)[C@@H](C)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226462 598610147 /nfs/dbraw/zinc/61/01/47/598610147.db2.gz ACKAVPJOIUZROO-AWEZNQCLSA-N -1 3 366.469 3.391 20 10 FGCDHM CC[C@H](C)[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736332586 598611423 /nfs/dbraw/zinc/61/14/23/598611423.db2.gz RVYDIDRFJNIPGW-JSGCOSHPSA-N -1 3 366.469 3.439 20 10 FGCDHM COc1ccc2ccc([O-])c(C[NH+]3CCC([C@@H](C)NC(=O)[O-])CC3)c2c1 ZINC000739940044 602425902 /nfs/dbraw/zinc/42/59/02/602425902.db2.gz GALNMDCNQLSQLM-CYBMUJFWSA-N -1 3 358.438 3.422 20 10 FGCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1c1ccccc1 ZINC000823504200 606389952 /nfs/dbraw/zinc/38/99/52/606389952.db2.gz NCSPWGUKNJAEHV-XYOKQWHBSA-N -1 3 371.472 3.334 20 10 FGCDHM CC(C)(C)c1ccc(NNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000824135232 609507772 /nfs/dbraw/zinc/50/77/72/609507772.db2.gz CFVCKBJLICAHOZ-UHFFFAOYSA-N -1 3 367.482 3.478 20 10 FGCDHM CC(C)(C)c1ccc(NNC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000824135232 609507774 /nfs/dbraw/zinc/50/77/74/609507774.db2.gz CFVCKBJLICAHOZ-UHFFFAOYSA-N -1 3 367.482 3.478 20 10 FGCDHM Cc1ccnc(N2CCN(Cc3cccc(Br)c3[O-])CC2)c1 ZINC000120908806 700662223 /nfs/dbraw/zinc/66/22/23/700662223.db2.gz CCCSFLDQDAXJNX-UHFFFAOYSA-N -1 3 362.271 3.180 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCN(c2cccc(O)c2)CC1 ZINC000121644353 700677052 /nfs/dbraw/zinc/67/70/52/700677052.db2.gz DPFPXZBIQBRBOH-UHFFFAOYSA-N -1 3 363.255 3.183 20 10 FGCDHM O=S1(=O)CCCN1c1cc(NCc2c([O-])cccc2Cl)ccc1F ZINC000122753869 700695104 /nfs/dbraw/zinc/69/51/04/700695104.db2.gz QDFFUTPUMVSRPN-UHFFFAOYSA-N -1 3 370.833 3.337 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCCN(CC(F)(F)F)CC1 ZINC000129473772 700788495 /nfs/dbraw/zinc/78/84/95/700788495.db2.gz PJPQZGGNXHSJFI-UHFFFAOYSA-N -1 3 367.209 3.225 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCN(c3nc(C)c(C)s3)CC2)c1[O-] ZINC000157638390 705159841 /nfs/dbraw/zinc/15/98/41/705159841.db2.gz OYALSAURXDTMMK-UHFFFAOYSA-N -1 3 363.458 3.129 20 10 FGCDHM O=S(=O)([N-]CCCSc1nccs1)c1cc(F)c(F)c(F)c1 ZINC000173146520 705446607 /nfs/dbraw/zinc/44/66/07/705446607.db2.gz QJIXMSHPVRFRTI-UHFFFAOYSA-N -1 3 368.427 3.021 20 10 FGCDHM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(C(=O)OC)ccc1[O-] ZINC000726797018 722438055 /nfs/dbraw/zinc/43/80/55/722438055.db2.gz TYHRCEYRKHZDIE-INIZCTEOSA-N -1 3 360.797 3.419 20 10 FGCDHM CCCC(=O)NC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000750034894 722752588 /nfs/dbraw/zinc/75/25/88/722752588.db2.gz ATPYXOFKWSCLAM-UHFFFAOYSA-N -1 3 352.862 3.129 20 10 FGCDHM CCS(=O)(=O)c1ccc(CN[C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756872988 722970973 /nfs/dbraw/zinc/97/09/73/722970973.db2.gz FSFFFROICVLJAI-LLVKDONJSA-N -1 3 355.406 3.315 20 10 FGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)c1c(Cl)cccc1Cl ZINC000790919551 723193211 /nfs/dbraw/zinc/19/32/11/723193211.db2.gz QDOMAOLTIBXFMA-CLAHSXSESA-N -1 3 356.205 3.257 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000775148215 723964017 /nfs/dbraw/zinc/96/40/17/723964017.db2.gz ZJKDVTIVNQCAOO-GWCFXTLKSA-N -1 3 368.193 3.290 20 10 FGCDHM O=C(NCC1(c2ccccc2Br)CC1)c1cccc(O)c1[O-] ZINC000776660622 724167918 /nfs/dbraw/zinc/16/79/18/724167918.db2.gz LDYNIHLERNJRIW-UHFFFAOYSA-N -1 3 362.223 3.322 20 10 FGCDHM COC[C@@H](C)n1ccc(NCc2cc(C)cc(Br)c2[O-])n1 ZINC000778213434 724311153 /nfs/dbraw/zinc/31/11/53/724311153.db2.gz JWIFQDAEKCUEPP-LLVKDONJSA-N -1 3 354.248 3.479 20 10 FGCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1C(=O)OC(C)C ZINC000808098183 725183599 /nfs/dbraw/zinc/18/35/99/725183599.db2.gz GGAANYVJNIIZBA-UHFFFAOYSA-N -1 3 363.435 3.375 20 10 FGCDHM CN(Cc1cccc(Br)c1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000811515024 725372007 /nfs/dbraw/zinc/37/20/07/725372007.db2.gz LGCBWLMBOMXOCF-UHFFFAOYSA-N -1 3 371.275 3.206 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCN(c2cccc(F)n2)CC1 ZINC000824811207 729359863 /nfs/dbraw/zinc/35/98/63/729359863.db2.gz XVBPQRIVNAJJBL-UHFFFAOYSA-N -1 3 366.234 3.011 20 10 FGCDHM Cc1cc([O-])c(CN2CCN(C(=O)c3ccc(O)cc3)CC2)c(Cl)c1 ZINC000840910895 730190264 /nfs/dbraw/zinc/19/02/64/730190264.db2.gz OMLUSVCQTCDLPA-UHFFFAOYSA-N -1 3 360.841 3.018 20 10 FGCDHM CC(=O)N(c1nc(CNCc2cc(Cl)ccc2[O-])cs1)C1CC1 ZINC000846057765 730924189 /nfs/dbraw/zinc/92/41/89/730924189.db2.gz ITSAXIQEIYCXCA-UHFFFAOYSA-N -1 3 351.859 3.307 20 10 FGCDHM [O-]c1cccc(Br)c1CN1CCN(Cc2ccco2)CC1 ZINC000862217045 732787853 /nfs/dbraw/zinc/78/78/53/732787853.db2.gz TXUOIZSZWBQICK-UHFFFAOYSA-N -1 3 351.244 3.066 20 10 FGCDHM Cn1cc([C@H]2CSCCN2Cc2c([O-])cccc2Br)cn1 ZINC000862342772 732812049 /nfs/dbraw/zinc/81/20/49/732812049.db2.gz MUWLTDBJMRGJTJ-CQSZACIVSA-N -1 3 368.300 3.178 20 10 FGCDHM CCOC(=O)c1cccc(CNCc2cccc(Br)c2[O-])n1 ZINC000862348822 732812573 /nfs/dbraw/zinc/81/25/73/732812573.db2.gz WQVRUIFEUIDGTF-UHFFFAOYSA-N -1 3 365.227 3.016 20 10 FGCDHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000863406869 732959063 /nfs/dbraw/zinc/95/90/63/732959063.db2.gz MDMUBLYQUCZRGD-CQSZACIVSA-N -1 3 373.833 3.184 20 10 FGCDHM Cc1ccc(S(=O)(=O)C2CCN(Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000877778809 736718742 /nfs/dbraw/zinc/71/87/42/736718742.db2.gz CJJMWCOXGHDFDM-UHFFFAOYSA-N -1 3 363.454 3.278 20 10 FGCDHM CC(C)(C)CN1C(=O)C(C)(C)N[C@@H]1c1cc(Br)ccc1[O-] ZINC000877857724 736736411 /nfs/dbraw/zinc/73/64/11/736736411.db2.gz YSDXEDKSMHKEKL-ZDUSSCGKSA-N -1 3 355.276 3.410 20 10 FGCDHM O=C1N(c2ccccc2)[C@H](c2cc(Br)ccc2[O-])NC12CC2 ZINC000877859260 736736977 /nfs/dbraw/zinc/73/69/77/736736977.db2.gz PEHKAYPXUDUAEK-OAHLLOKOSA-N -1 3 359.223 3.322 20 10 FGCDHM CC(C)[C@H](N[C@@H](C)c1cc(Br)cc(F)c1[O-])c1nncn1C ZINC000903063925 743800759 /nfs/dbraw/zinc/80/07/59/743800759.db2.gz JELIZOZOPHVUKO-ZANVPECISA-N -1 3 371.254 3.470 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNCc2cc(C3CC3)n(C)n2)c1 ZINC000922954344 759038417 /nfs/dbraw/zinc/03/84/17/759038417.db2.gz DTQSSKAFWPTYKV-UHFFFAOYSA-N -1 3 350.260 3.364 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCC(OC[C@H]2CCCO2)CC1 ZINC000092661177 494701759 /nfs/dbraw/zinc/70/17/59/494701759.db2.gz XIZMLPKQQVQHAT-MRXNPFEDSA-N -1 3 370.287 3.315 20 10 FGCDHM Cc1nc(CN2CCN(Cc3cc(-c4ccccc4)ccc3[O-])CC2)no1 ZINC000093274029 494855340 /nfs/dbraw/zinc/85/53/40/494855340.db2.gz DYXXMMASUSBSDI-UHFFFAOYSA-N -1 3 364.449 3.068 20 10 FGCDHM COc1cc(Br)cc(CN2CCO[C@@H](c3ccco3)C2)c1[O-] ZINC000093841249 494925644 /nfs/dbraw/zinc/92/56/44/494925644.db2.gz YRSGDOXEZJILPF-OAHLLOKOSA-N -1 3 368.227 3.330 20 10 FGCDHM C[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccnc1 ZINC000134265619 495128207 /nfs/dbraw/zinc/12/82/07/495128207.db2.gz JOXKNQDQQLNASC-KSSFIOAISA-N -1 3 373.884 3.325 20 10 FGCDHM [O-]c1cccc(Cl)c1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000113327058 495296771 /nfs/dbraw/zinc/29/67/71/495296771.db2.gz HLJTYHBUEIVNBZ-UHFFFAOYSA-N -1 3 364.848 3.436 20 10 FGCDHM C[C@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000186675953 496102955 /nfs/dbraw/zinc/10/29/55/496102955.db2.gz MXMXDRWHNMYMSF-NSHDSACASA-N -1 3 350.415 3.027 20 10 FGCDHM Cc1ccc(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c([O-])c1O ZINC000177682994 496158071 /nfs/dbraw/zinc/15/80/71/496158071.db2.gz DZJOPFMWYFNKNI-SFHVURJKSA-N -1 3 359.397 3.131 20 10 FGCDHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000187060787 496274881 /nfs/dbraw/zinc/27/48/81/496274881.db2.gz LYEBOQMURAQZMF-UHFFFAOYSA-N -1 3 362.451 3.467 20 10 FGCDHM Cc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)c([O-])c1O ZINC000182118584 496676136 /nfs/dbraw/zinc/67/61/36/496676136.db2.gz VWCDCDNBOXEOMA-UHFFFAOYSA-N -1 3 363.360 3.368 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000273381555 496790361 /nfs/dbraw/zinc/79/03/61/496790361.db2.gz CDYFGJZTMLMVRY-LBPRGKRZSA-N -1 3 354.406 3.244 20 10 FGCDHM CC(=O)N1CCN(c2ccccc2CNCc2c([O-])cccc2Cl)CC1 ZINC000264954481 497018498 /nfs/dbraw/zinc/01/84/98/497018498.db2.gz LVKJRQIADINQKN-UHFFFAOYSA-N -1 3 373.884 3.004 20 10 FGCDHM COc1c([O-])c(CN[C@H]2CCCOc3c(F)cccc32)ccc1[N+](=O)[O-] ZINC000278299950 497067131 /nfs/dbraw/zinc/06/71/31/497067131.db2.gz CQLNXGYNXSENMA-AWEZNQCLSA-N -1 3 362.357 3.452 20 10 FGCDHM COc1c([O-])c(CN[C@@H](COCC(C)C)c2ccco2)ccc1[N+](=O)[O-] ZINC000278568131 497154649 /nfs/dbraw/zinc/15/46/49/497154649.db2.gz CFNQFAMAWGIXAC-AWEZNQCLSA-N -1 3 364.398 3.406 20 10 FGCDHM COCCCOc1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278829205 497234192 /nfs/dbraw/zinc/23/41/92/497234192.db2.gz INGMMLGGINXNBF-UHFFFAOYSA-N -1 3 362.382 3.336 20 10 FGCDHM COc1c([O-])c(CNc2ccc(CN3CCCC3=O)cc2)ccc1[N+](=O)[O-] ZINC000278919113 497267255 /nfs/dbraw/zinc/26/72/55/497267255.db2.gz UNDQMLXRLUBVHB-UHFFFAOYSA-N -1 3 371.393 3.044 20 10 FGCDHM CCNC(=O)Nc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1C ZINC000279377736 497421947 /nfs/dbraw/zinc/42/19/47/497421947.db2.gz IOJCONNJVGFBSM-UHFFFAOYSA-N -1 3 374.397 3.371 20 10 FGCDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)c1[O-] ZINC000271823836 497461484 /nfs/dbraw/zinc/46/14/84/497461484.db2.gz OENGPXUCZSUBSX-LLVKDONJSA-N -1 3 356.397 3.104 20 10 FGCDHM C[C@@H]1c2nncn2CCN1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000276801873 497657861 /nfs/dbraw/zinc/65/78/61/497657861.db2.gz MSFATGJNJASXOZ-OAHLLOKOSA-N -1 3 350.422 3.140 20 10 FGCDHM CCCOc1ccc(CN2CCO[C@H](C)[C@H]2c2nc(C3CC3)no2)c([O-])c1 ZINC000284748261 497887879 /nfs/dbraw/zinc/88/78/79/497887879.db2.gz YNVWHMJTHMXSQK-ACJLOTCBSA-N -1 3 373.453 3.403 20 10 FGCDHM O=C(Nc1nccs1)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000364515099 497996788 /nfs/dbraw/zinc/99/67/88/497996788.db2.gz VGRADDSFKRGFMV-UHFFFAOYSA-N -1 3 369.849 3.492 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cccc(C(F)(F)F)n2)c1 ZINC000296508411 498072158 /nfs/dbraw/zinc/07/21/58/498072158.db2.gz PKRHAMOEHHBKRK-SNVBAGLBSA-N -1 3 354.328 3.443 20 10 FGCDHM CC(C)c1nnc([C@@H]2CC23CCN(C(=O)c2cccc(O)c2[O-])CC3)o1 ZINC000364791253 498144170 /nfs/dbraw/zinc/14/41/70/498144170.db2.gz WODDWXNXLFBMIR-ZDUSSCGKSA-N -1 3 357.410 3.014 20 10 FGCDHM Cn1ccnc1[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000365820897 498655741 /nfs/dbraw/zinc/65/57/41/498655741.db2.gz OQMHWEMHGFPQKD-LLVKDONJSA-N -1 3 350.806 3.067 20 10 FGCDHM Cc1c(N[C@H](C)c2cc(F)ccc2[O-])cccc1N1C(=O)CCNC1=O ZINC000282844729 498677981 /nfs/dbraw/zinc/67/79/81/498677981.db2.gz SXZFXEIOUJKJLT-GFCCVEGCSA-N -1 3 357.385 3.459 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccnc(OC(F)F)c2)c1 ZINC000284437188 499107895 /nfs/dbraw/zinc/10/78/95/499107895.db2.gz SMWVIKHOTYMEJC-JTQLQIEISA-N -1 3 352.337 3.026 20 10 FGCDHM COc1cc(Cl)cc(CN[C@@H](c2nc(C)no2)C2CCOCC2)c1[O-] ZINC000372579156 499149046 /nfs/dbraw/zinc/14/90/46/499149046.db2.gz VWPPGBRVKJPSQK-OAHLLOKOSA-N -1 3 367.833 3.003 20 10 FGCDHM CC[C@@H](c1ccccc1[O-])N1CCOC[C@@H]1c1ncnn1-c1ccccc1 ZINC000368591132 499311374 /nfs/dbraw/zinc/31/13/74/499311374.db2.gz GMAPLJGKOVYTPX-RBUKOAKNSA-N -1 3 364.449 3.498 20 10 FGCDHM COc1cc(Cl)cc(CN(C)[C@@H]2CS(=O)(=O)c3ccccc32)c1[O-] ZINC000371851249 499371544 /nfs/dbraw/zinc/37/15/44/499371544.db2.gz DJSFVNFFTNCHJU-CQSZACIVSA-N -1 3 367.854 3.015 20 10 FGCDHM Cc1ccn(C2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)n1 ZINC000375744365 499550764 /nfs/dbraw/zinc/55/07/64/499550764.db2.gz QZORRFBUQXHPRX-UHFFFAOYSA-N -1 3 350.806 3.296 20 10 FGCDHM CC(=O)N1CCSc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc21 ZINC000376842895 499640006 /nfs/dbraw/zinc/64/00/06/499640006.db2.gz CTNISAANANVPJP-UHFFFAOYSA-N -1 3 358.419 3.117 20 10 FGCDHM O=C(Nc1cccc(N2CCCCCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738182538 598944448 /nfs/dbraw/zinc/94/44/48/598944448.db2.gz FXVUKUDFKMWYKI-UHFFFAOYSA-N -1 3 362.437 3.499 20 10 FGCDHM O=C(Nc1cccc(N2CCCCCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738182538 598944449 /nfs/dbraw/zinc/94/44/49/598944449.db2.gz FXVUKUDFKMWYKI-UHFFFAOYSA-N -1 3 362.437 3.499 20 10 FGCDHM O=C([O-])c1ccccc1NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000739274547 600148416 /nfs/dbraw/zinc/14/84/16/600148416.db2.gz QMOBNQDZOPWIDX-UHFFFAOYSA-N -1 3 368.433 3.474 20 10 FGCDHM O=C([O-])c1ccccc1NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000739274547 600148417 /nfs/dbraw/zinc/14/84/17/600148417.db2.gz QMOBNQDZOPWIDX-UHFFFAOYSA-N -1 3 368.433 3.474 20 10 FGCDHM O=C([O-])c1ccccc1NC(=O)CN(Cc1ccccc1O)C1CCCC1 ZINC000739274547 600148418 /nfs/dbraw/zinc/14/84/18/600148418.db2.gz QMOBNQDZOPWIDX-UHFFFAOYSA-N -1 3 368.433 3.474 20 10 FGCDHM O=C([O-])[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000739498598 600300424 /nfs/dbraw/zinc/30/04/24/600300424.db2.gz BFQCAFHINLQYOQ-MRXNPFEDSA-N -1 3 362.223 3.300 20 10 FGCDHM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000833680042 605120408 /nfs/dbraw/zinc/12/04/08/605120408.db2.gz BRCSJVYHJHZQHY-AWEZNQCLSA-N -1 3 358.438 3.228 20 10 FGCDHM Cc1cc(N(C)C)ccc1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000822205925 606088088 /nfs/dbraw/zinc/08/80/88/606088088.db2.gz NLNQGJPMOKFWSV-UHFFFAOYSA-N -1 3 359.437 3.401 20 10 FGCDHM Cc1cc(N(C)C)ccc1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000822205925 606088090 /nfs/dbraw/zinc/08/80/90/606088090.db2.gz NLNQGJPMOKFWSV-UHFFFAOYSA-N -1 3 359.437 3.401 20 10 FGCDHM Cc1cc(C(=O)Nc2cncc(C)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822400061 606197408 /nfs/dbraw/zinc/19/74/08/606197408.db2.gz VIDRIQNQUMHZAK-UHFFFAOYSA-N -1 3 373.420 3.230 20 10 FGCDHM CN(C(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccccc1-c1nnn[n-]1 ZINC000825812487 607788256 /nfs/dbraw/zinc/78/82/56/607788256.db2.gz LAXOCBSRSYUVER-KTKRTIGZSA-N -1 3 368.466 3.297 20 10 FGCDHM CN(C(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccccc1-c1nn[n-]n1 ZINC000825812487 607788257 /nfs/dbraw/zinc/78/82/57/607788257.db2.gz LAXOCBSRSYUVER-KTKRTIGZSA-N -1 3 368.466 3.297 20 10 FGCDHM CN(C)c1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1F ZINC000825880179 607840672 /nfs/dbraw/zinc/84/06/72/607840672.db2.gz XHPQJYAEZQVVSX-UHFFFAOYSA-N -1 3 363.400 3.232 20 10 FGCDHM CN(C)c1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1F ZINC000825880179 607840673 /nfs/dbraw/zinc/84/06/73/607840673.db2.gz XHPQJYAEZQVVSX-UHFFFAOYSA-N -1 3 363.400 3.232 20 10 FGCDHM Cc1cc(N(C)C)ccc1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826268678 608288097 /nfs/dbraw/zinc/28/80/97/608288097.db2.gz IUYOLANXXHOTNF-UHFFFAOYSA-N -1 3 363.469 3.127 20 10 FGCDHM Cc1cc(N(C)C)ccc1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826268678 608288099 /nfs/dbraw/zinc/28/80/99/608288099.db2.gz IUYOLANXXHOTNF-UHFFFAOYSA-N -1 3 363.469 3.127 20 10 FGCDHM CC(C)C[C@H]1CCCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000091731496 700424481 /nfs/dbraw/zinc/42/44/81/700424481.db2.gz PPHUWFJEMMXWEN-OAHLLOKOSA-N -1 3 368.499 3.195 20 10 FGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cccnc1Cl ZINC000109779912 700536793 /nfs/dbraw/zinc/53/67/93/700536793.db2.gz CVNOQTQFMLXNMY-UHFFFAOYSA-N -1 3 355.221 3.269 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCN(c2ccccc2O)CC1 ZINC000158542629 705189782 /nfs/dbraw/zinc/18/97/82/705189782.db2.gz MZQJRZADDHBLBT-UHFFFAOYSA-N -1 3 363.255 3.183 20 10 FGCDHM COC(=O)c1ccc(CNCc2cc(C)cc(Br)c2[O-])o1 ZINC000781630674 724580459 /nfs/dbraw/zinc/58/04/59/724580459.db2.gz CNIQSJADBNYSGZ-UHFFFAOYSA-N -1 3 354.200 3.133 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCC(NC(=O)C(C)C)CC2)c1 ZINC000781896294 724608703 /nfs/dbraw/zinc/60/87/03/724608703.db2.gz HYIUULGJWORYJR-UHFFFAOYSA-N -1 3 369.303 3.200 20 10 FGCDHM CCOC(=O)C1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781899939 724609465 /nfs/dbraw/zinc/60/94/65/724609465.db2.gz LCXLDRGHSJBHCU-UHFFFAOYSA-N -1 3 356.260 3.238 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H]2Nc3c4ccccc4sc3C(=O)N2)c1 ZINC000742441809 722557319 /nfs/dbraw/zinc/55/73/19/722557319.db2.gz JFXRXQYQGKDHCL-INIZCTEOSA-N -1 3 354.387 3.248 20 10 FGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1ccccc1N(C)C ZINC000744402005 722576662 /nfs/dbraw/zinc/57/66/62/722576662.db2.gz HCCMXTOZOSTJAC-UHFFFAOYSA-N -1 3 362.857 3.287 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750058881 722753380 /nfs/dbraw/zinc/75/33/80/722753380.db2.gz ZLVHKLODGUJQIZ-GFCCVEGCSA-N -1 3 353.846 3.412 20 10 FGCDHM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000755984902 722959342 /nfs/dbraw/zinc/95/93/42/722959342.db2.gz LDLOCKAOJZSKAS-UHFFFAOYSA-N -1 3 363.435 3.396 20 10 FGCDHM COc1cccc(Cc2cnc(NC(=O)c3cccc(O)c3[O-])s2)c1 ZINC000790505605 723147004 /nfs/dbraw/zinc/14/70/04/723147004.db2.gz WFBUTIQPZLFENE-UHFFFAOYSA-N -1 3 356.403 3.406 20 10 FGCDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])Oc1cccc(Br)c1 ZINC000790804491 723180201 /nfs/dbraw/zinc/18/02/01/723180201.db2.gz GFGHMGNYBBSPRA-JTQLQIEISA-N -1 3 366.211 3.058 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1 ZINC000790933213 723195588 /nfs/dbraw/zinc/19/55/88/723195588.db2.gz YJUOHSRURLDJCD-DCGLDWPTSA-N -1 3 370.287 3.231 20 10 FGCDHM O=C1[C@H](NCc2c([O-])ccc(Cl)c2F)CCN1c1c(F)cccc1F ZINC000790976650 723201390 /nfs/dbraw/zinc/20/13/90/723201390.db2.gz KFVGDOIYDFRXTJ-CYBMUJFWSA-N -1 3 370.758 3.358 20 10 FGCDHM CCOC(=O)C1(N(C)Cc2cc(F)cc(C(C)=O)c2[O-])CCCCC1 ZINC000763659222 723358991 /nfs/dbraw/zinc/35/89/91/723358991.db2.gz QLIUHPDCMXWWEE-UHFFFAOYSA-N -1 3 351.418 3.432 20 10 FGCDHM Cc1n[nH]c(C(C)C)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765751119 723537968 /nfs/dbraw/zinc/53/79/68/723537968.db2.gz OKPOVPCHOAHMAF-UHFFFAOYSA-N -1 3 352.232 3.240 20 10 FGCDHM C[C@@H](O)CN(Cc1ccccc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768893404 723671455 /nfs/dbraw/zinc/67/14/55/723671455.db2.gz OCBGBXNSWRVAJQ-GFCCVEGCSA-N -1 3 350.802 3.337 20 10 FGCDHM CCO[C@H](C)c1noc(CN(C)Cc2cc(Br)ccc2[O-])n1 ZINC000769502706 723687827 /nfs/dbraw/zinc/68/78/27/723687827.db2.gz NNGUHTRWXIORNE-SNVBAGLBSA-N -1 3 370.247 3.267 20 10 FGCDHM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccc(N(C)C)cc1 ZINC000773087784 723776480 /nfs/dbraw/zinc/77/64/80/723776480.db2.gz KQPDXLNDDFOMFX-JTQLQIEISA-N -1 3 374.293 3.494 20 10 FGCDHM COc1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1O ZINC000797820171 723866736 /nfs/dbraw/zinc/86/67/36/723866736.db2.gz JVXSCIUQVPVQBK-UHFFFAOYSA-N -1 3 363.313 3.100 20 10 FGCDHM COc1c([O-])c(CN[C@H]2COc3ccc(Cl)cc32)ccc1[N+](=O)[O-] ZINC000775035040 723954895 /nfs/dbraw/zinc/95/48/95/723954895.db2.gz XUESXLHOPXDALF-LBPRGKRZSA-N -1 3 350.758 3.186 20 10 FGCDHM CC(Cl)(Cl)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000777420758 724223959 /nfs/dbraw/zinc/22/39/59/724223959.db2.gz VMARCWUKNWATLD-LBPRGKRZSA-N -1 3 365.688 3.320 20 10 FGCDHM C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(Br)cc1[O-] ZINC000825888335 729398553 /nfs/dbraw/zinc/39/85/53/729398553.db2.gz YVQRWBMIXZEFNR-QPUJVOFHSA-N -1 3 354.166 3.306 20 10 FGCDHM CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000843432752 730620657 /nfs/dbraw/zinc/62/06/57/730620657.db2.gz PCNBWNABXNAAHM-CYBMUJFWSA-N -1 3 371.186 3.199 20 10 FGCDHM COC(=O)CN(Cc1cnc(Cl)c(F)c1)Cc1cc(Cl)ccc1[O-] ZINC000846826057 730985076 /nfs/dbraw/zinc/98/50/76/730985076.db2.gz YVVJBHXJCUZZIJ-UHFFFAOYSA-N -1 3 373.211 3.408 20 10 FGCDHM C[C@@H](Nc1ccc(OCCS(C)(=O)=O)cc1)c1ccc(F)cc1[O-] ZINC000850487338 731362390 /nfs/dbraw/zinc/36/23/90/731362390.db2.gz HVPCULWUQLNGNQ-GFCCVEGCSA-N -1 3 353.415 3.128 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNCc2nn(C)cc2C(F)F)c1 ZINC000865808228 733273062 /nfs/dbraw/zinc/27/30/62/733273062.db2.gz DPUKIZUJKWEDOK-UHFFFAOYSA-N -1 3 360.202 3.424 20 10 FGCDHM O=C1N[C@@H](c2ccc(Br)cc2[O-])Nc2cc(F)c(F)cc21 ZINC000877859905 736737070 /nfs/dbraw/zinc/73/70/70/736737070.db2.gz IQGHQDZTJQHFEI-ZDUSSCGKSA-N -1 3 355.138 3.287 20 10 FGCDHM C[C@@H](N[C@@H](C)c1c([O-])cccc1F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000886520397 739264608 /nfs/dbraw/zinc/26/46/08/739264608.db2.gz DAAUAUNHQMAHGX-OLZOCXBDSA-N -1 3 366.458 3.193 20 10 FGCDHM Cc1noc([C@H]2CCCN(Cc3cc(Br)cc(F)c3[O-])C2)n1 ZINC000893962951 742219330 /nfs/dbraw/zinc/21/93/30/742219330.db2.gz UORSJQTWZJQTMD-JTQLQIEISA-N -1 3 370.222 3.365 20 10 FGCDHM C[C@](CO)(NCc1ccc(F)c(F)c1[O-])c1cccc(Br)c1 ZINC000898168839 742752395 /nfs/dbraw/zinc/75/23/95/742752395.db2.gz RHSVAOMIQBLWLV-MRXNPFEDSA-N -1 3 372.209 3.430 20 10 FGCDHM C[C@@H]1CS(=O)(=O)CCCN1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000902559408 743758113 /nfs/dbraw/zinc/75/81/13/743758113.db2.gz VXQYCVOJQWOICB-CYBMUJFWSA-N -1 3 359.447 3.301 20 10 FGCDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2Cc3cccc(O)c3C2)s1 ZINC000913726215 757575926 /nfs/dbraw/zinc/57/59/26/757575926.db2.gz KDTYFZXMQYDRNQ-UHFFFAOYSA-N -1 3 361.423 3.352 20 10 FGCDHM CC(C)(C)OC(=O)C1(C(=O)NCc2c([O-])cccc2F)CCSCC1 ZINC000928710215 760243104 /nfs/dbraw/zinc/24/31/04/760243104.db2.gz QBZQKOIKGCBWGB-UHFFFAOYSA-N -1 3 369.458 3.003 20 10 FGCDHM CCCOc1ccc(CN(C)[C@H]2CS(=O)(=O)c3ccccc32)c([O-])c1 ZINC000092072894 494777338 /nfs/dbraw/zinc/77/73/38/494777338.db2.gz HLWSNEMJSWUDHI-KRWDZBQOSA-N -1 3 361.463 3.141 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](c3nncn3C(C)C)C2)c1[O-] ZINC000093200668 494841866 /nfs/dbraw/zinc/84/18/66/494841866.db2.gz NCUCXAKXQOENKA-CQSZACIVSA-N -1 3 360.433 3.286 20 10 FGCDHM COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])c1 ZINC000111235861 495052197 /nfs/dbraw/zinc/05/21/97/495052197.db2.gz WEIGATTYFRGCCG-LSDHHAIUSA-N -1 3 372.465 3.107 20 10 FGCDHM CCCCNC(=O)c1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000101595387 495082513 /nfs/dbraw/zinc/08/25/13/495082513.db2.gz GVJDXDDLONKMRF-UHFFFAOYSA-N -1 3 357.410 3.120 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000177177661 495962369 /nfs/dbraw/zinc/96/23/69/495962369.db2.gz SKSGHPPHFOXJAP-CYBMUJFWSA-N -1 3 374.872 3.166 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCC(F)(F)F ZINC000175528389 496428225 /nfs/dbraw/zinc/42/82/25/496428225.db2.gz OLXKBIKGMADULD-UHFFFAOYSA-N -1 3 355.154 3.249 20 10 FGCDHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(N(C)C)cc2)cc1OC ZINC000277525352 496802717 /nfs/dbraw/zinc/80/27/17/496802717.db2.gz YXKOVUAEKOIWAZ-QGZVFWFLSA-N -1 3 358.438 3.075 20 10 FGCDHM CC[C@@H](c1ccncc1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277658693 496843760 /nfs/dbraw/zinc/84/37/60/496843760.db2.gz FKMDTRVYOJHXFT-HNNXBMFYSA-N -1 3 359.813 3.356 20 10 FGCDHM C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000273576937 496845063 /nfs/dbraw/zinc/84/50/63/496845063.db2.gz MASZJMDIKPCOJL-RYUDHWBXSA-N -1 3 355.394 3.231 20 10 FGCDHM COCCOc1cc(C)ccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273609615 496853365 /nfs/dbraw/zinc/85/33/65/496853365.db2.gz VJGNLNGGOZFLBB-AWEZNQCLSA-N -1 3 360.410 3.485 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C)c1nnnn1C1CC1 ZINC000192050250 496976552 /nfs/dbraw/zinc/97/65/52/496976552.db2.gz AMJKSQCSAVYXTP-SNVBAGLBSA-N -1 3 366.263 3.059 20 10 FGCDHM COc1c([O-])c(CN[C@H](COCC(C)C)c2ccco2)ccc1[N+](=O)[O-] ZINC000278568134 497154466 /nfs/dbraw/zinc/15/44/66/497154466.db2.gz CFNQFAMAWGIXAC-CQSZACIVSA-N -1 3 364.398 3.406 20 10 FGCDHM COC(=O)[C@@H](NCc1cc(Cl)cc(OC)c1[O-])c1ccc(OC)cc1 ZINC000275167101 497247989 /nfs/dbraw/zinc/24/79/89/497247989.db2.gz WAMYQDATRZCZOS-INIZCTEOSA-N -1 3 365.813 3.067 20 10 FGCDHM COc1c([O-])c(CNc2ccc(N3CCO[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000278882506 497254300 /nfs/dbraw/zinc/25/43/00/497254300.db2.gz OIHGVOIJARICMP-ZDUSSCGKSA-N -1 3 373.409 3.146 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000193139796 497311477 /nfs/dbraw/zinc/31/14/77/497311477.db2.gz MNISJZYUDZKAJD-GFCCVEGCSA-N -1 3 358.463 3.453 20 10 FGCDHM Cc1ccc([C@@H](NCc2cc(F)ccc2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000280839904 497918825 /nfs/dbraw/zinc/91/88/25/497918825.db2.gz YDWFMHMQJMRJRE-UGSOOPFHSA-N -1 3 351.443 3.104 20 10 FGCDHM Cc1ccc([C@H](NCc2cc(F)ccc2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000280839899 497919754 /nfs/dbraw/zinc/91/97/54/497919754.db2.gz YDWFMHMQJMRJRE-FZKQIMNGSA-N -1 3 351.443 3.104 20 10 FGCDHM COc1ccccc1O[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000286747621 498496333 /nfs/dbraw/zinc/49/63/33/498496333.db2.gz ODMMFKNVOLOJPG-AWEZNQCLSA-N -1 3 357.406 3.098 20 10 FGCDHM CCCCN(Cc1ccccc1O)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000282591117 498572004 /nfs/dbraw/zinc/57/20/04/498572004.db2.gz XAHONFAJUCJDSF-UHFFFAOYSA-N -1 3 356.422 3.499 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000284239008 499073640 /nfs/dbraw/zinc/07/36/40/499073640.db2.gz DYDCQIZJZMCCNE-IFXJQAMLSA-N -1 3 372.465 3.141 20 10 FGCDHM Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2c([O-])ccc(Cl)c2F)cn1 ZINC000372811814 499178629 /nfs/dbraw/zinc/17/86/29/499178629.db2.gz LAGDSMVGZOKLRE-BLLLJJGKSA-N -1 3 353.825 3.006 20 10 FGCDHM CC(C)N1CCN([C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000371335996 499312605 /nfs/dbraw/zinc/31/26/05/499312605.db2.gz MYNKVAMMJCZOPK-MRXNPFEDSA-N -1 3 372.340 3.299 20 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/nfs/dbraw/zinc/91/47/26/606914726.db2.gz GIZNRHGPYVTEJZ-STQMWFEESA-N -1 3 364.453 3.287 20 10 FGCDHM Cc1ccncc1C=CC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826315528 609481587 /nfs/dbraw/zinc/48/15/87/609481587.db2.gz MBAJEDMKLPEQMQ-TWGQIWQCSA-N -1 3 362.437 3.273 20 10 FGCDHM Cc1ccncc1C=CC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826315528 609481588 /nfs/dbraw/zinc/48/15/88/609481588.db2.gz MBAJEDMKLPEQMQ-TWGQIWQCSA-N -1 3 362.437 3.273 20 10 FGCDHM CCOc1ccc(O)c(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000825642752 609491856 /nfs/dbraw/zinc/49/18/56/609491856.db2.gz AXEBIVJPCYEXNX-UHFFFAOYSA-N -1 3 369.425 3.370 20 10 FGCDHM CCOc1ccc(O)c(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000825642752 609491858 /nfs/dbraw/zinc/49/18/58/609491858.db2.gz AXEBIVJPCYEXNX-UHFFFAOYSA-N -1 3 369.425 3.370 20 10 FGCDHM COc1cc(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1O ZINC000125959993 700741846 /nfs/dbraw/zinc/74/18/46/700741846.db2.gz RKOUOWFWNQJRAU-UHFFFAOYSA-N -1 3 352.774 3.300 20 10 FGCDHM O=C(NCC1CC1)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000179342954 705698211 /nfs/dbraw/zinc/69/82/11/705698211.db2.gz VPWZPQLJQZHOSZ-GFCCVEGCSA-N -1 3 357.281 3.437 20 10 FGCDHM COC(=O)[C@H](NCc1cc(Cl)ccc1[O-])c1ccc(OC)cc1OC ZINC000779179535 724398015 /nfs/dbraw/zinc/39/80/15/724398015.db2.gz FMMOLRBRHUEYFE-QGZVFWFLSA-N -1 3 365.813 3.067 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000781911597 724611450 /nfs/dbraw/zinc/61/14/50/724611450.db2.gz MGEYCZYFOZIVKG-WCQYABFASA-N -1 3 368.193 3.351 20 10 FGCDHM C[C@H]1CN(Cc2c([O-])cccc2Br)C[C@](C)(C(F)F)O1 ZINC000707167314 722412212 /nfs/dbraw/zinc/41/22/12/722412212.db2.gz XPQXPVCTXRCYIU-LKFCYVNXSA-N -1 3 350.203 3.399 20 10 FGCDHM COC(=O)CN(CCc1ccc(OC)cc1)Cc1cc(Cl)ccc1[O-] ZINC000731845267 722478519 /nfs/dbraw/zinc/47/85/19/722478519.db2.gz SZQCEAJKNRJESX-UHFFFAOYSA-N -1 3 363.841 3.272 20 10 FGCDHM C[C@@H](CCC1CCCCC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000734552108 722508350 /nfs/dbraw/zinc/50/83/50/722508350.db2.gz ANZISEVWAKGKRE-ZDUSSCGKSA-N -1 3 368.499 3.243 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)N(C)C(C)C)CC2)c1[O-] ZINC000748050437 722673233 /nfs/dbraw/zinc/67/32/33/722673233.db2.gz BEASWSSPWFMZQN-UHFFFAOYSA-N -1 3 366.889 3.327 20 10 FGCDHM COc1ccc(CN(C)Cc2cc(C)cc(Br)c2[O-])cn1 ZINC000757918211 722981223 /nfs/dbraw/zinc/98/12/23/722981223.db2.gz XXULOVALIVQUPI-UHFFFAOYSA-N -1 3 351.244 3.499 20 10 FGCDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc(O)c3O)nc(=O)c2c1C ZINC000758563917 722991796 /nfs/dbraw/zinc/99/17/96/722991796.db2.gz YRMDGZPHBJTFPR-MRVPVSSYSA-N -1 3 360.391 3.343 20 10 FGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1C ZINC000790415722 723137729 /nfs/dbraw/zinc/13/77/29/723137729.db2.gz JDNOYAUZAMFLAB-UHFFFAOYSA-N -1 3 363.435 3.159 20 10 FGCDHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])c(OCC(F)(F)F)c1 ZINC000790873209 723188488 /nfs/dbraw/zinc/18/84/88/723188488.db2.gz IXDANOPLDOFNOR-UHFFFAOYSA-N -1 3 355.312 3.277 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1 ZINC000790933222 723195468 /nfs/dbraw/zinc/19/54/68/723195468.db2.gz YJUOHSRURLDJCD-OGHNNQOOSA-N -1 3 370.287 3.231 20 10 FGCDHM O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccc(O)c1[O-] ZINC000790943589 723197296 /nfs/dbraw/zinc/19/72/96/723197296.db2.gz OTAXJXUGNGGNIB-UHFFFAOYSA-N -1 3 361.810 3.446 20 10 FGCDHM COc1cc([C@@H](C)NCc2c([O-])ccc(Cl)c2F)ccc1OCCO ZINC000790956984 723199317 /nfs/dbraw/zinc/19/93/17/723199317.db2.gz ZUBAKJSAMATOHI-LLVKDONJSA-N -1 3 369.820 3.415 20 10 FGCDHM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1c([O-])ccc(Cl)c1F ZINC000792157408 723316364 /nfs/dbraw/zinc/31/63/64/723316364.db2.gz WIDCEGWOUIEBPO-SNVBAGLBSA-N -1 3 372.849 3.025 20 10 FGCDHM COC(=O)CN(CCCc1ccc(C)nc1)Cc1cc(Cl)ccc1[O-] ZINC000792818932 723371129 /nfs/dbraw/zinc/37/11/29/723371129.db2.gz INEZNCNDOCCJED-UHFFFAOYSA-N -1 3 362.857 3.357 20 10 FGCDHM COC(=O)CN(CCCC1CCOCC1)Cc1cc(Cl)ccc1[O-] ZINC000765921992 723546842 /nfs/dbraw/zinc/54/68/42/723546842.db2.gz VPFYEUGTTBTCOS-UHFFFAOYSA-N -1 3 355.862 3.227 20 10 FGCDHM CCNC(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000796160537 723624198 /nfs/dbraw/zinc/62/41/98/723624198.db2.gz JQXKCLGBBPEZPC-HNNXBMFYSA-N -1 3 368.861 3.349 20 10 FGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCCC[C@H]1CN1CCOCC1 ZINC000769319153 723682281 /nfs/dbraw/zinc/68/22/81/723682281.db2.gz SZURMWOGHDXQGI-HNNXBMFYSA-N -1 3 359.297 3.386 20 10 FGCDHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769751235 723693985 /nfs/dbraw/zinc/69/39/85/723693985.db2.gz FUYFBPRWMZPGHS-CJNGLKHVSA-N -1 3 368.499 3.098 20 10 FGCDHM COc1cc(Br)ccc1[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000787626575 725033595 /nfs/dbraw/zinc/03/35/95/725033595.db2.gz NKSFLYDCYUBKLW-VIFPVBQESA-N -1 3 366.211 3.360 20 10 FGCDHM COc1ccc(N2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)cc1F ZINC000810488967 725310471 /nfs/dbraw/zinc/31/04/71/725310471.db2.gz FFVXERJOVZWIDF-UHFFFAOYSA-N -1 3 364.804 3.156 20 10 FGCDHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(O)cc1SC ZINC000817356079 727242698 /nfs/dbraw/zinc/24/26/98/727242698.db2.gz DEWLSFUOJNDSAM-OAHLLOKOSA-N -1 3 367.492 3.114 20 10 FGCDHM COC(=O)c1cnc([C@@H](C)NCc2cc(Br)ccc2[O-])s1 ZINC000818232137 727302662 /nfs/dbraw/zinc/30/26/62/727302662.db2.gz RVZMSDUDTVNBFF-MRVPVSSYSA-N -1 3 371.256 3.249 20 10 FGCDHM CC[C@@H](N[C@H](C(N)=O)c1ccccn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000824515815 729344768 /nfs/dbraw/zinc/34/47/68/729344768.db2.gz IPFNQKRPJAZMRC-DOMZBBRYSA-N -1 3 353.344 3.073 20 10 FGCDHM COCCN(Cc1c(C)nn(C)c1C)Cc1cc(Cl)c(F)cc1[O-] ZINC000835073281 729856243 /nfs/dbraw/zinc/85/62/43/729856243.db2.gz KQAFTKUKODVTOV-UHFFFAOYSA-N -1 3 355.841 3.184 20 10 FGCDHM Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000840946735 730195326 /nfs/dbraw/zinc/19/53/26/730195326.db2.gz NURIWAZGEZRFCX-LLVKDONJSA-N -1 3 364.795 3.245 20 10 FGCDHM Cc1cc([O-])c(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000840946735 730195327 /nfs/dbraw/zinc/19/53/27/730195327.db2.gz NURIWAZGEZRFCX-LLVKDONJSA-N -1 3 364.795 3.245 20 10 FGCDHM Cc1ccc([C@@H](NCc2cc(F)cc(F)c2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000894647929 742314192 /nfs/dbraw/zinc/31/41/92/742314192.db2.gz HESWCZXVWAOBEU-PXAZEXFGSA-N -1 3 369.433 3.243 20 10 FGCDHM Cc1nc(SC(F)F)sc1CC(=O)NCc1c([O-])cccc1F ZINC000928708547 760241684 /nfs/dbraw/zinc/24/16/84/760241684.db2.gz OOTBAODIJFNHQP-UHFFFAOYSA-N -1 3 362.398 3.470 20 10 FGCDHM Cc1noc([C@@H]2CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)n1 ZINC000091832506 494696762 /nfs/dbraw/zinc/69/67/62/494696762.db2.gz COOYCVMALUHHKN-SNVBAGLBSA-N -1 3 352.778 3.025 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(OC[C@@H]3CCCO3)CC2)c1[O-] ZINC000092661643 494700769 /nfs/dbraw/zinc/70/07/69/494700769.db2.gz QBBAZEZIXUJLRV-HNNXBMFYSA-N -1 3 370.833 3.114 20 10 FGCDHM Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092011278 494753522 /nfs/dbraw/zinc/75/35/22/494753522.db2.gz NNHDSWIZOQAQBG-BDJLRTHQSA-N -1 3 370.280 3.378 20 10 FGCDHM CCC(CC)N(CC(C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092226693 494814856 /nfs/dbraw/zinc/81/48/56/494814856.db2.gz NVGUHWAFLNEDSK-UHFFFAOYSA-N -1 3 356.488 3.051 20 10 FGCDHM Cc1ccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c([O-])c1O ZINC000182853642 495728515 /nfs/dbraw/zinc/72/85/15/495728515.db2.gz BDQCFUANDJRCJA-RDJZCZTQSA-N -1 3 359.397 3.274 20 10 FGCDHM Cc1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c([O-])c1O ZINC000182853622 495728836 /nfs/dbraw/zinc/72/88/36/495728836.db2.gz BDQCFUANDJRCJA-WBVHZDCISA-N -1 3 359.397 3.274 20 10 FGCDHM Cc1cc(Cl)cc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)c1[O-] ZINC000154949722 495782711 /nfs/dbraw/zinc/78/27/11/495782711.db2.gz DQLQRKOKNYJMKB-INIZCTEOSA-N -1 3 353.871 3.230 20 10 FGCDHM CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(Br)cc(C)c3[O-])[C@H]2C1 ZINC000180779124 496143268 /nfs/dbraw/zinc/14/32/68/496143268.db2.gz VMUWOHAMHYOTQF-PMPSAXMXSA-N -1 3 370.287 3.231 20 10 FGCDHM O=C(CCc1ccncc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158073269 496621582 /nfs/dbraw/zinc/62/15/82/496621582.db2.gz UAWGGHFIWHGRRG-SFHVURJKSA-N -1 3 373.884 3.154 20 10 FGCDHM COc1cc(OC)c(OC)cc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273367165 496785587 /nfs/dbraw/zinc/78/55/87/496785587.db2.gz FEOBUTYMTKVJJI-NSHDSACASA-N -1 3 362.382 3.177 20 10 FGCDHM COc1c([O-])c(CN2CCC(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278296906 497066388 /nfs/dbraw/zinc/06/63/88/497066388.db2.gz VJVWEFBXAZUDBE-UHFFFAOYSA-N -1 3 370.405 3.404 20 10 FGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1c1nc(C2CC2)cs1 ZINC000192410004 497105190 /nfs/dbraw/zinc/10/51/90/497105190.db2.gz OZIULBYYOFLCIK-UHFFFAOYSA-N -1 3 363.826 3.348 20 10 FGCDHM COCc1ccc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])o1 ZINC000278547024 497149688 /nfs/dbraw/zinc/14/96/88/497149688.db2.gz YJIUOSUQQNZZHX-AWEZNQCLSA-N -1 3 362.382 3.386 20 10 FGCDHM COc1c([O-])c(CNc2ccc(O[C@@H]3CCOC3)cc2)ccc1[N+](=O)[O-] ZINC000278637169 497176000 /nfs/dbraw/zinc/17/60/00/497176000.db2.gz HLJRXVHBTSSQOM-OAHLLOKOSA-N -1 3 360.366 3.089 20 10 FGCDHM O=C(NCC(F)(F)F)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000275122466 497240054 /nfs/dbraw/zinc/24/00/54/497240054.db2.gz HNDAQRDYHXFHPQ-QMMMGPOBSA-N -1 3 371.186 3.199 20 10 FGCDHM CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000279921014 497589382 /nfs/dbraw/zinc/58/93/82/497589382.db2.gz ADMPQXDFOCSJPF-JTQLQIEISA-N -1 3 370.452 3.006 20 10 FGCDHM C[C@@H](NCc1ccnc(OC2CCOCC2)c1)c1ccc(F)c(F)c1[O-] ZINC000276885739 497678882 /nfs/dbraw/zinc/67/88/82/497678882.db2.gz GVNSYWDXMKCDAD-GFCCVEGCSA-N -1 3 364.392 3.474 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CNCc2ccnc(N3CCCC3)c2)c1[O-] ZINC000263650319 497805448 /nfs/dbraw/zinc/80/54/48/497805448.db2.gz DAKGLZLMPBRPSI-UHFFFAOYSA-N -1 3 362.817 3.239 20 10 FGCDHM Cc1ccc([C@H](NCc2cc(F)ccc2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000280839901 497918612 /nfs/dbraw/zinc/91/86/12/497918612.db2.gz YDWFMHMQJMRJRE-SCLBCKFNSA-N -1 3 351.443 3.104 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cccc(C(F)(F)F)n2)c1 ZINC000296508406 498071815 /nfs/dbraw/zinc/07/18/15/498071815.db2.gz PKRHAMOEHHBKRK-JTQLQIEISA-N -1 3 354.328 3.443 20 10 FGCDHM Cc1cc(Br)cc(CN(C)Cc2nncn2C(C)C)c1[O-] ZINC000292857688 498172850 /nfs/dbraw/zinc/17/28/50/498172850.db2.gz UYGAQHJLTCWXNZ-UHFFFAOYSA-N -1 3 353.264 3.268 20 10 FGCDHM Cc1ccc(C(=O)N2CCC(N3CCc4ccccc43)CC2)c([O-])c1O ZINC000282740136 498634605 /nfs/dbraw/zinc/63/46/05/498634605.db2.gz IUJRPFWULQXIDN-UHFFFAOYSA-N -1 3 352.434 3.074 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](OCc3ccncc3)C2)c1[O-] ZINC000287805974 498868219 /nfs/dbraw/zinc/86/82/19/498868219.db2.gz OSYNCIUWYLYAMC-QGZVFWFLSA-N -1 3 360.841 3.434 20 10 FGCDHM Cc1ccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)c([O-])c1O ZINC000291974039 499114549 /nfs/dbraw/zinc/11/45/49/499114549.db2.gz WLWSPVZNVUFSDU-AWEZNQCLSA-N -1 3 357.410 3.424 20 10 FGCDHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)c([O-])c1O ZINC000291974041 499114605 /nfs/dbraw/zinc/11/46/05/499114605.db2.gz WLWSPVZNVUFSDU-CQSZACIVSA-N -1 3 357.410 3.424 20 10 FGCDHM Cc1ccc([C@H](C)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)c([O-])c1 ZINC000369901968 499148247 /nfs/dbraw/zinc/14/82/47/499148247.db2.gz JDCZEOPBWOSEJS-RYUDHWBXSA-N -1 3 354.376 3.268 20 10 FGCDHM C[C@@H](NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(F)cc1[O-] ZINC000369902052 499148629 /nfs/dbraw/zinc/14/86/29/499148629.db2.gz KCEQSPOANMNRIJ-NXEZZACHSA-N -1 3 358.339 3.098 20 10 FGCDHM [O-]c1ccc2ccccc2c1CN1CCn2c(nnc2-c2cccnc2)C1 ZINC000367474601 499203599 /nfs/dbraw/zinc/20/35/99/499203599.db2.gz KQKIXTJEINYLEE-UHFFFAOYSA-N -1 3 357.417 3.215 20 10 FGCDHM COCCn1cc2c(n1)[C@@H](NCc1c([O-])ccc(Cl)c1F)CCC2 ZINC000370464194 499223113 /nfs/dbraw/zinc/22/31/13/499223113.db2.gz URRVGOVVMDLBNB-AWEZNQCLSA-N -1 3 353.825 3.195 20 10 FGCDHM [O-]c1ccccc1CN(Cc1cc(-c2cccnc2)n[nH]1)C[C@H]1CCCO1 ZINC000371321353 499310001 /nfs/dbraw/zinc/31/00/01/499310001.db2.gz PQDGONAFLOZYSP-LJQANCHMSA-N -1 3 364.449 3.359 20 10 FGCDHM O=C(c1c[nH]c2ccccc12)N1CCCN(Cc2cccc(F)c2[O-])CC1 ZINC000376178265 499589310 /nfs/dbraw/zinc/58/93/10/499589310.db2.gz PDAXOSIQRQHMPJ-UHFFFAOYSA-N -1 3 367.424 3.361 20 10 FGCDHM CC1(C)C[C@H](C(=O)NCc2cc(Br)ccc2[O-])C(C)(C)O1 ZINC000529389650 504652125 /nfs/dbraw/zinc/65/21/25/504652125.db2.gz RZEREDYYAXRXCP-GFCCVEGCSA-N -1 3 356.260 3.365 20 10 FGCDHM CCOC[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000529664809 504754923 /nfs/dbraw/zinc/75/49/23/504754923.db2.gz DVKYJTCYWDIFNX-FQEVSTJZSA-N -1 3 357.450 3.209 20 10 FGCDHM CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ncccc2[O-])C1 ZINC000584759191 507488968 /nfs/dbraw/zinc/48/89/68/507488968.db2.gz APHPHJBCJFSSMO-UHFFFAOYSA-N -1 3 364.449 3.147 20 10 FGCDHM Oc1ccc2c(c1CNc1ncc(-c3nnn[n-]3)cc1Cl)CCCC2 ZINC000823733369 599063800 /nfs/dbraw/zinc/06/38/00/599063800.db2.gz VPOZNQASHDSDOS-UHFFFAOYSA-N -1 3 356.817 3.112 20 10 FGCDHM Oc1ccc2c(c1CNc1ncc(-c3nn[n-]n3)cc1Cl)CCCC2 ZINC000823733369 599063803 /nfs/dbraw/zinc/06/38/03/599063803.db2.gz VPOZNQASHDSDOS-UHFFFAOYSA-N -1 3 356.817 3.112 20 10 FGCDHM CN(C)c1ccc(CN(c2cccc(F)c2-c2nnn[n-]2)C2CC2)cc1 ZINC000736774651 598815544 /nfs/dbraw/zinc/81/55/44/598815544.db2.gz WIGPNNLJBJTURB-UHFFFAOYSA-N -1 3 352.417 3.241 20 10 FGCDHM CN(C)c1ccc(CN(c2cccc(F)c2-c2nn[n-]n2)C2CC2)cc1 ZINC000736774651 598815545 /nfs/dbraw/zinc/81/55/45/598815545.db2.gz WIGPNNLJBJTURB-UHFFFAOYSA-N -1 3 352.417 3.241 20 10 FGCDHM O=C([O-])c1cccc(OCC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000740227082 600143391 /nfs/dbraw/zinc/14/33/91/600143391.db2.gz MKTRWKOJNUIGDE-IBGZPJMESA-N -1 3 371.433 3.150 20 10 FGCDHM O=C([O-])c1cccc(OCC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000740227082 600143393 /nfs/dbraw/zinc/14/33/93/600143393.db2.gz MKTRWKOJNUIGDE-IBGZPJMESA-N -1 3 371.433 3.150 20 10 FGCDHM CCCN(Cc1ccccc1O)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000829496640 600799063 /nfs/dbraw/zinc/79/90/63/600799063.db2.gz LQOUFKSLFSQJEN-HNNXBMFYSA-N -1 3 374.462 3.169 20 10 FGCDHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC000826262485 608295856 /nfs/dbraw/zinc/29/58/56/608295856.db2.gz QFWFCXUBYVDAIK-UHFFFAOYSA-N -1 3 367.844 3.221 20 10 FGCDHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC000826262485 608295858 /nfs/dbraw/zinc/29/58/58/608295858.db2.gz QFWFCXUBYVDAIK-UHFFFAOYSA-N -1 3 367.844 3.221 20 10 FGCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000139744056 704878888 /nfs/dbraw/zinc/87/88/88/704878888.db2.gz PBIUDBCXAGEPIC-UHFFFAOYSA-N -1 3 371.275 3.207 20 10 FGCDHM O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cccc(O)c1[O-] ZINC000193021975 712880559 /nfs/dbraw/zinc/88/05/59/712880559.db2.gz AGVBGRQPQPVJPU-UHFFFAOYSA-N -1 3 360.263 3.024 20 10 FGCDHM CC(C)(C)CC(=O)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000768252283 723651971 /nfs/dbraw/zinc/65/19/71/723651971.db2.gz IOTBUHKTBHLTQC-UHFFFAOYSA-N -1 3 369.303 3.235 20 10 FGCDHM C[C@@H](C[S@](C)=O)N(C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708075932 722412642 /nfs/dbraw/zinc/41/26/42/722412642.db2.gz QQGKWPHKGIXASF-ASCAZGACSA-N -1 3 354.697 3.007 20 10 FGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cccc(F)c1F ZINC000731844503 722478548 /nfs/dbraw/zinc/47/85/48/722478548.db2.gz DKKCGHCBNMZYCZ-UHFFFAOYSA-N -1 3 355.768 3.499 20 10 FGCDHM [O-]c1cccc(Cl)c1CNCc1nnc2ccc(C(F)(F)F)cn21 ZINC000733322236 722495703 /nfs/dbraw/zinc/49/57/03/722495703.db2.gz DPYZPIYVABVGJI-UHFFFAOYSA-N -1 3 356.735 3.397 20 10 FGCDHM CS(=O)(=O)C1CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000760394925 723053514 /nfs/dbraw/zinc/05/35/14/723053514.db2.gz DZDXOMIYPYAKGU-UHFFFAOYSA-N -1 3 363.479 3.026 20 10 FGCDHM Cc1cc(C(=O)N2CCOCC2)ccc1NCc1c([O-])cccc1Cl ZINC000789889867 723081742 /nfs/dbraw/zinc/08/17/42/723081742.db2.gz JGIVUKUYZKNRMG-UHFFFAOYSA-N -1 3 360.841 3.439 20 10 FGCDHM C[C@H](Cc1cccc(Br)c1)NC(=O)c1cccc(O)c1[O-] ZINC000790578612 723155283 /nfs/dbraw/zinc/15/52/83/723155283.db2.gz CWTFMXBJRWLFBW-SNVBAGLBSA-N -1 3 350.212 3.221 20 10 FGCDHM C[C@@H]1CN(C[C@@H]2CCCN2Cc2c([O-])ccc(Cl)c2F)C[C@@H](C)O1 ZINC000792167324 723317142 /nfs/dbraw/zinc/31/71/42/723317142.db2.gz NFPFASKWZZIUOJ-MCIONIFRSA-N -1 3 356.869 3.258 20 10 FGCDHM COC(=O)[C@H](C)N(Cc1cc(C)cc(Br)c1[O-])C1CCC1 ZINC000792189001 723319843 /nfs/dbraw/zinc/31/98/43/723319843.db2.gz ZQFAYQBDLHSTKR-NSHDSACASA-N -1 3 356.260 3.379 20 10 FGCDHM [O-]c1cccc(Cl)c1CN1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000763621280 723356543 /nfs/dbraw/zinc/35/65/43/723356543.db2.gz YTHDUCUDWVTPHS-UHFFFAOYSA-N -1 3 357.763 3.180 20 10 FGCDHM CSc1cc(O)ccc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000792703453 723358645 /nfs/dbraw/zinc/35/86/45/723358645.db2.gz WUGMVHYUGFTBEN-UHFFFAOYSA-N -1 3 357.428 3.074 20 10 FGCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1(F)CCCC1 ZINC000773408695 723784185 /nfs/dbraw/zinc/78/41/85/723784185.db2.gz URACGSHSYKDGEG-HNNXBMFYSA-N -1 3 354.853 3.409 20 10 FGCDHM COc1c([O-])c(CNCc2c(F)cc(F)c(F)c2F)ccc1[N+](=O)[O-] ZINC000797604842 723841388 /nfs/dbraw/zinc/84/13/88/723841388.db2.gz JCMGXAUPYLDZGI-UHFFFAOYSA-N -1 3 360.263 3.155 20 10 FGCDHM CCOC(=O)[C@H](Cc1cccc(Cl)c1)NCc1cc(F)ccc1[O-] ZINC000798959689 723980459 /nfs/dbraw/zinc/98/04/59/723980459.db2.gz NFCHJUMDLWOWLQ-INIZCTEOSA-N -1 3 351.805 3.449 20 10 FGCDHM C[C@@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@@H](C)S1(=O)=O ZINC000811797001 725380486 /nfs/dbraw/zinc/38/04/86/725380486.db2.gz SAONHPMTQCLEMH-CHWSQXEVSA-N -1 3 363.479 3.025 20 10 FGCDHM [O-]c1cc(F)c(Cl)cc1CN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000824636532 729352138 /nfs/dbraw/zinc/35/21/38/729352138.db2.gz RSOVWRROCNDSFK-KSSFIOAISA-N -1 3 353.796 3.485 20 10 FGCDHM CC[C@H](Nc1cc(NS(C)(=O)=O)ccc1OC)c1ccc(F)cc1[O-] ZINC000834890234 729844150 /nfs/dbraw/zinc/84/41/50/729844150.db2.gz ZGTWSVLSQWAMKT-AWEZNQCLSA-N -1 3 368.430 3.475 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CNC[C@H](n2cccn2)C(F)(F)F)c1[O-] ZINC000858209221 732192636 /nfs/dbraw/zinc/19/26/36/732192636.db2.gz FWUBUEHQJQZNNX-NSHDSACASA-N -1 3 364.711 3.044 20 10 FGCDHM C[C@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1c([O-])cccc1F ZINC000886600988 739273692 /nfs/dbraw/zinc/27/36/92/739273692.db2.gz HCBSJUSZFUASJX-JTQLQIEISA-N -1 3 357.834 3.439 20 10 FGCDHM C[C@@H]1CCCN(C(=O)C2CCN(Cc3cc(F)cc(F)c3[O-])CC2)C1 ZINC000893962665 742219411 /nfs/dbraw/zinc/21/94/11/742219411.db2.gz RBYFKTBXEDIMBY-CYBMUJFWSA-N -1 3 352.425 3.141 20 10 FGCDHM CC(C)[C@H](N[C@H](C)c1cc(Br)c(F)cc1[O-])c1nncn1C ZINC000903063048 743800742 /nfs/dbraw/zinc/80/07/42/743800742.db2.gz BQHHOFGKRIWMQX-OTYXRUKQSA-N -1 3 371.254 3.470 20 10 FGCDHM CCN(Cc1nc(C2CC2)no1)Cc1cc(Br)ccc1[O-] ZINC000076118454 493826400 /nfs/dbraw/zinc/82/64/00/493826400.db2.gz WCQLHQZDXWMBIM-UHFFFAOYSA-N -1 3 352.232 3.437 20 10 FGCDHM C[S@@](=O)C[C@H](NCc1cc(Br)ccc1[O-])c1ccccc1 ZINC000154743444 495715286 /nfs/dbraw/zinc/71/52/86/495715286.db2.gz ZSPAUNOBAKDJFT-BTYIYWSLSA-N -1 3 368.296 3.364 20 10 FGCDHM Cc1ccc(C(=O)N(Cc2ccccc2)CC2CCOCC2)c([O-])c1O ZINC000177685670 496159012 /nfs/dbraw/zinc/15/90/12/496159012.db2.gz LQXOUZGSASEIQC-UHFFFAOYSA-N -1 3 355.434 3.475 20 10 FGCDHM CS(=O)(=O)N1CCc2c1cccc2NCc1c([O-])ccc2ccccc21 ZINC000184225297 496293490 /nfs/dbraw/zinc/29/34/90/496293490.db2.gz GRLJJBXBEBCRPN-UHFFFAOYSA-N -1 3 368.458 3.480 20 10 FGCDHM O=C(CCc1ccccn1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158123679 496633313 /nfs/dbraw/zinc/63/33/13/496633313.db2.gz CGNPQTVRQCVSMY-SFHVURJKSA-N -1 3 373.884 3.154 20 10 FGCDHM C[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(F)cc1[O-] ZINC000185131703 496674432 /nfs/dbraw/zinc/67/44/32/496674432.db2.gz PDJQNAPDNHOXTF-BFUOFWGJSA-N -1 3 358.413 3.500 20 10 FGCDHM C[C@@H](NCc1cccnc1N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000185165729 496688740 /nfs/dbraw/zinc/68/87/40/496688740.db2.gz SYVRLCJWYYKPJE-CQSZACIVSA-N -1 3 360.889 3.043 20 10 FGCDHM C[C@H](NCc1ccnc(OCC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273303102 496768183 /nfs/dbraw/zinc/76/81/83/496768183.db2.gz CBVVVNCKLOBWAA-JTQLQIEISA-N -1 3 371.315 3.487 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccnc(N3CCCC3)c2)c1 ZINC000273432619 496805259 /nfs/dbraw/zinc/80/52/59/496805259.db2.gz WDSMKMIMYMXBQJ-AWEZNQCLSA-N -1 3 355.438 3.025 20 10 FGCDHM COc1c([O-])c(CNCc2c(F)cccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000278512472 497139417 /nfs/dbraw/zinc/13/94/17/497139417.db2.gz QCNHDOLYTQLKBX-UHFFFAOYSA-N -1 3 372.299 3.339 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)COCC(F)(F)F ZINC000266550404 497368706 /nfs/dbraw/zinc/36/87/06/497368706.db2.gz RUFDHVSUELJZNB-UHFFFAOYSA-N -1 3 370.165 3.082 20 10 FGCDHM C[C@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(F)cc1[O-] ZINC000277014018 497715569 /nfs/dbraw/zinc/71/55/69/497715569.db2.gz CJCFZGVHHWEVCQ-JTQLQIEISA-N -1 3 357.834 3.439 20 10 FGCDHM Cc1occc1C(=O)NC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191313020 497777458 /nfs/dbraw/zinc/77/74/58/497777458.db2.gz CXQFEKZBYKYMQD-UHFFFAOYSA-N -1 3 366.820 3.481 20 10 FGCDHM C[C@H](N[C@@H](c1nccn1C)C1CCOCC1)c1ccc(F)c(F)c1[O-] ZINC000284740817 497885534 /nfs/dbraw/zinc/88/55/34/497885534.db2.gz FCNSVVBPTBMYKY-MEDUHNTESA-N -1 3 351.397 3.222 20 10 FGCDHM Cc1ccc(C(=O)N(C)C2CCN(c3cccc(F)c3)CC2)c([O-])c1O ZINC000364699740 498097107 /nfs/dbraw/zinc/09/71/07/498097107.db2.gz JQLZKDCKKLIWOT-UHFFFAOYSA-N -1 3 358.413 3.286 20 10 FGCDHM CS(=O)(=O)CC1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000292852202 498171972 /nfs/dbraw/zinc/17/19/72/498171972.db2.gz UGFVBJRFRLIFNN-UHFFFAOYSA-N -1 3 359.491 3.316 20 10 FGCDHM COc1ccc(C2=CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1OC ZINC000365677970 498593340 /nfs/dbraw/zinc/59/33/40/498593340.db2.gz OMILESGCHWHHRM-UHFFFAOYSA-N -1 3 355.390 3.045 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CC12CCOCC2 ZINC000365789622 498641999 /nfs/dbraw/zinc/64/19/99/498641999.db2.gz YQPKPFMDTQPIIN-AWEZNQCLSA-N -1 3 368.271 3.320 20 10 FGCDHM Cc1ccc([C@@H](C)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)c([O-])c1 ZINC000369901966 499148282 /nfs/dbraw/zinc/14/82/82/499148282.db2.gz JDCZEOPBWOSEJS-NEPJUHHUSA-N -1 3 354.376 3.268 20 10 FGCDHM O=S1(=O)CCN(Cc2cc(Cl)ccc2[O-])[C@H](c2ccccc2)C1 ZINC000370229949 499199981 /nfs/dbraw/zinc/19/99/81/499199981.db2.gz GRMRJSKTWIADBR-INIZCTEOSA-N -1 3 351.855 3.017 20 10 FGCDHM [O-]c1ccc(Br)cc1CN[C@H](c1nc[nH]n1)c1ccccc1 ZINC000375389649 499513057 /nfs/dbraw/zinc/51/30/57/499513057.db2.gz GBFMYXLNTILTMY-HNNXBMFYSA-N -1 3 359.227 3.152 20 10 FGCDHM CC[C@@H](Nc1ccc2c(c1)N(CC(=O)NC)CC2)c1ccc(F)cc1[O-] ZINC000375839607 499560928 /nfs/dbraw/zinc/56/09/28/499560928.db2.gz MQAYCVPTQMNRHG-QGZVFWFLSA-N -1 3 357.429 3.203 20 10 FGCDHM [O-]c1ccc(Br)cc1CNC[C@@H](n1cccn1)C(F)(F)F ZINC000527745932 503925662 /nfs/dbraw/zinc/92/56/62/503925662.db2.gz TVRYTLCSGWYIHK-GFCCVEGCSA-N -1 3 364.165 3.244 20 10 FGCDHM Cc1cc(C(=O)NCC2CCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234593 598610751 /nfs/dbraw/zinc/61/07/51/598610751.db2.gz NAWYNYLRMBBPFR-UHFFFAOYSA-N -1 3 364.453 3.194 20 10 FGCDHM Cc1cc(C(=O)N(C)CCC2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257327 607631286 /nfs/dbraw/zinc/63/12/86/607631286.db2.gz XTTLOZAYFDSPFV-UHFFFAOYSA-N -1 3 364.453 3.146 20 10 FGCDHM CC[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000820988921 606693383 /nfs/dbraw/zinc/69/33/83/606693383.db2.gz JFLJWKQFZSZMQX-HNNXBMFYSA-N -1 3 364.453 3.146 20 10 FGCDHM COc1ccc(COc2ccc(N3CCCC3)cc2)cc1-c1nnn[n-]1 ZINC000826207137 607973633 /nfs/dbraw/zinc/97/36/33/607973633.db2.gz BNRPCNBMEUFFJV-UHFFFAOYSA-N -1 3 351.410 3.055 20 10 FGCDHM COc1ccc(COc2ccc(N3CCCC3)cc2)cc1-c1nn[n-]n1 ZINC000826207137 607973634 /nfs/dbraw/zinc/97/36/34/607973634.db2.gz BNRPCNBMEUFFJV-UHFFFAOYSA-N -1 3 351.410 3.055 20 10 FGCDHM CCN1C(=O)c2ccccc2N[C@@H]1c1cc(O)cc(Br)c1[O-] ZINC000193501368 712893778 /nfs/dbraw/zinc/89/37/78/712893778.db2.gz RRQMKIHWKFXLQQ-HNNXBMFYSA-N -1 3 363.211 3.447 20 10 FGCDHM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000736289347 722522544 /nfs/dbraw/zinc/52/25/44/722522544.db2.gz PHYQMBBEJFIKHJ-STQMWFEESA-N -1 3 359.447 3.299 20 10 FGCDHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000754805029 722946042 /nfs/dbraw/zinc/94/60/42/722946042.db2.gz MGRRIMQXUOQJSJ-UHFFFAOYSA-N -1 3 365.524 3.166 20 10 FGCDHM CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756872990 722971018 /nfs/dbraw/zinc/97/10/18/722971018.db2.gz FSFFFROICVLJAI-NSHDSACASA-N -1 3 355.406 3.315 20 10 FGCDHM C[C@H]1CCN(Cc2cc3oc4ccccc4c3cc2[O-])CCS1(=O)=O ZINC000762109465 723215646 /nfs/dbraw/zinc/21/56/46/723215646.db2.gz YTCIEGHQLWHTEW-ZDUSSCGKSA-N -1 3 359.447 3.301 20 10 FGCDHM CN(Cc1ccc(F)cc1Br)C(=O)c1cccc(O)c1[O-] ZINC000791543005 723257418 /nfs/dbraw/zinc/25/74/18/723257418.db2.gz YJSWDSKTWAKAAO-UHFFFAOYSA-N -1 3 354.175 3.272 20 10 FGCDHM Cc1ccc(NCc2c([O-])cccc2Cl)cc1S(=O)(=O)N(C)C ZINC000796384228 723635648 /nfs/dbraw/zinc/63/56/48/723635648.db2.gz UDERTPYCGNSTSG-UHFFFAOYSA-N -1 3 354.859 3.216 20 10 FGCDHM Cc1ccc(NCc2c([O-])cccc2Cl)cc1S(=O)(=O)NC1CC1 ZINC000796431346 723637400 /nfs/dbraw/zinc/63/74/00/723637400.db2.gz WPPURNZVIPWERU-UHFFFAOYSA-N -1 3 366.870 3.407 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000769900590 723699821 /nfs/dbraw/zinc/69/98/21/723699821.db2.gz QFZQACVQBGTVDO-MEBBXXQBSA-N -1 3 365.779 3.383 20 10 FGCDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)c(F)cc1F ZINC000773088843 723776517 /nfs/dbraw/zinc/77/65/17/723776517.db2.gz PKHUAONLABYPOK-GFCCVEGCSA-N -1 3 354.422 3.379 20 10 FGCDHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000775291212 723976830 /nfs/dbraw/zinc/97/68/30/723976830.db2.gz GCMIWVBWCGCLKQ-UHFFFAOYSA-N -1 3 365.451 3.143 20 10 FGCDHM O=C(CC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)N1CCCC1 ZINC000775658503 724017610 /nfs/dbraw/zinc/01/76/10/724017610.db2.gz MUYYAVLAQZTJFJ-UHFFFAOYSA-N -1 3 354.853 3.409 20 10 FGCDHM COC(=O)c1cc(C(C)(C)NCc2cc(Cl)cc(C(C)=O)c2[O-])no1 ZINC000810050178 725284807 /nfs/dbraw/zinc/28/48/07/725284807.db2.gz QQERBKDSJWAQJS-UHFFFAOYSA-N -1 3 366.801 3.048 20 10 FGCDHM O=C(NCc1cc(Br)ccc1O)c1cc([O-])ccc1Cl ZINC000811523167 725372455 /nfs/dbraw/zinc/37/24/55/725372455.db2.gz LNDOJHJAHNRADF-UHFFFAOYSA-N -1 3 356.603 3.444 20 10 FGCDHM CN(Cc1csc(C(C)(C)O)n1)Cc1cc(Br)ccc1[O-] ZINC000825153268 729373073 /nfs/dbraw/zinc/37/30/73/729373073.db2.gz KEPCPGSOCXOQHX-UHFFFAOYSA-N -1 3 371.300 3.471 20 10 FGCDHM Cc1cc([O-])c(CN2CCOC[C@H]2c2noc(C(C)C)n2)cc1Cl ZINC000825462069 729384183 /nfs/dbraw/zinc/38/41/83/729384183.db2.gz XXIYINYJJRCLRS-AWEZNQCLSA-N -1 3 351.834 3.434 20 10 FGCDHM Cn1ccnc1[C@@H]1N(Cc2ccc(Br)cc2[O-])CC1(C)C ZINC000826043903 729403420 /nfs/dbraw/zinc/40/34/20/729403420.db2.gz VFLSEHQCGRDOGI-AWEZNQCLSA-N -1 3 350.260 3.471 20 10 FGCDHM CC(C)c1ncc(Br)c(C(=O)NCc2c([O-])cccc2F)n1 ZINC000830179585 729541586 /nfs/dbraw/zinc/54/15/86/729541586.db2.gz AWGHGMKGBHNKGB-UHFFFAOYSA-N -1 3 368.206 3.137 20 10 FGCDHM C[C@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc(Cl)cc1[O-] ZINC000841757373 730271226 /nfs/dbraw/zinc/27/12/26/730271226.db2.gz NTIHXKSSKYTWFO-ZDUSSCGKSA-N -1 3 359.857 3.151 20 10 FGCDHM O=C(NC1CC1)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1[O-] ZINC000846000686 730917560 /nfs/dbraw/zinc/91/75/60/730917560.db2.gz XJHCWIZGGVDDPQ-GOSISDBHSA-N -1 3 356.853 3.251 20 10 FGCDHM CC(C)(C)c1ccc(S(=O)(=O)[N-]N=c2[nH]c3cccnc3s2)s1 ZINC000857224970 732113777 /nfs/dbraw/zinc/11/37/77/732113777.db2.gz BSCHDTWPFVKZAZ-UHFFFAOYSA-N -1 3 368.509 3.356 20 10 FGCDHM Cn1ccnc1[C@H]1N(Cc2c([O-])cccc2Br)CC1(C)C ZINC000862383397 732820708 /nfs/dbraw/zinc/82/07/08/732820708.db2.gz REARLEBNUBHQHL-CQSZACIVSA-N -1 3 350.260 3.471 20 10 FGCDHM O=S(=O)([N-]c1ccc(O)cc1F)C1(COCc2ccccc2)CC1 ZINC000882712838 737481404 /nfs/dbraw/zinc/48/14/04/737481404.db2.gz PBLXFAORWZGIHP-UHFFFAOYSA-N -1 3 351.399 3.022 20 10 FGCDHM CN(C)c1cccnc1CNCc1cc(Br)cc(F)c1[O-] ZINC000883122665 737526647 /nfs/dbraw/zinc/52/66/47/737526647.db2.gz VLKOTUKROUHKFF-UHFFFAOYSA-N -1 3 354.223 3.045 20 10 FGCDHM CC(C)NS(=O)(=O)c1cccc(CN[C@@H](C)c2c([O-])cccc2F)c1 ZINC000886509886 739263705 /nfs/dbraw/zinc/26/37/05/739263705.db2.gz IBAOMDHWWSFLJH-ZDUSSCGKSA-N -1 3 366.458 3.069 20 10 FGCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000091986601 494744194 /nfs/dbraw/zinc/74/41/94/494744194.db2.gz LTSYHXBOLWVXLP-UHFFFAOYSA-N -1 3 368.433 3.211 20 10 FGCDHM [O-]c1ccccc1CN(Cc1nc(-c2ccco2)no1)C[C@H]1CCCO1 ZINC000109761794 494915633 /nfs/dbraw/zinc/91/56/33/494915633.db2.gz KWNOCKRMTAEQCZ-OAHLLOKOSA-N -1 3 355.394 3.216 20 10 FGCDHM CC[C@H](CO)NC(=O)Cc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000150893720 495671042 /nfs/dbraw/zinc/67/10/42/495671042.db2.gz BDDDHOQRMCPJSL-CQSZACIVSA-N -1 3 362.857 3.087 20 10 FGCDHM COc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1[N-]S(C)(=O)=O ZINC000186405303 495984791 /nfs/dbraw/zinc/98/47/91/495984791.db2.gz MJKHXLAXBZMKKS-SNVBAGLBSA-N -1 3 354.403 3.085 20 10 FGCDHM CCO[C@H]1C[C@H](O)C12CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])CC2 ZINC000177290514 496007979 /nfs/dbraw/zinc/00/79/79/496007979.db2.gz XPMKZJRRGOHQEY-IRXDYDNUSA-N -1 3 367.873 3.000 20 10 FGCDHM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000187060784 496274915 /nfs/dbraw/zinc/27/49/15/496274915.db2.gz JOFVIHPQKLWBPC-MRXNPFEDSA-N -1 3 351.406 3.445 20 10 FGCDHM [O-]c1ccccc1CN(Cc1nnc(C2CC2)n1C1CC1)C[C@@H]1CCCO1 ZINC000181461179 496407081 /nfs/dbraw/zinc/40/70/81/496407081.db2.gz UUJHQRBIWWJWCN-SFHVURJKSA-N -1 3 368.481 3.377 20 10 FGCDHM C[C@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273302359 496768452 /nfs/dbraw/zinc/76/84/52/496768452.db2.gz BSRXVCNTPAZQEA-KSSFIOAISA-N -1 3 369.421 3.315 20 10 FGCDHM COc1cc([O-])c(C[NH2+]Cc2cccc(Br)c2[O-])cc1OC ZINC000278428276 497110635 /nfs/dbraw/zinc/11/06/35/497110635.db2.gz SSOWHKQXXQXOPH-UHFFFAOYSA-N -1 3 368.227 3.167 20 10 FGCDHM CCOc1cc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1OC ZINC000278531731 497144783 /nfs/dbraw/zinc/14/47/83/497144783.db2.gz VESOZPNRFXHNMU-UHFFFAOYSA-N -1 3 362.382 3.006 20 10 FGCDHM COCc1ccc([C@H]2CCCN2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])o1 ZINC000278547027 497149982 /nfs/dbraw/zinc/14/99/82/497149982.db2.gz YJIUOSUQQNZZHX-CQSZACIVSA-N -1 3 362.382 3.386 20 10 FGCDHM C[C@@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1cc(Cl)ccc1[O-] ZINC000278561066 497154212 /nfs/dbraw/zinc/15/42/12/497154212.db2.gz WQDRCPKSAGHVTC-GFCCVEGCSA-N -1 3 372.860 3.391 20 10 FGCDHM COc1c([O-])c(CNc2cccc(OC[C@H]3CCCO3)c2)ccc1[N+](=O)[O-] ZINC000278835697 497238232 /nfs/dbraw/zinc/23/82/32/497238232.db2.gz JDZHIBXCNWZMSR-MRXNPFEDSA-N -1 3 374.393 3.479 20 10 FGCDHM CCCOc1ccc(CN[C@H](C(=O)OCC)c2cccc(O)c2)c([O-])c1 ZINC000276736438 497640185 /nfs/dbraw/zinc/64/01/85/497640185.db2.gz IBFLBRRWINJOBY-IBGZPJMESA-N -1 3 359.422 3.281 20 10 FGCDHM CCOC(=O)[C@H](NCc1cc(Cl)cc(OC)c1[O-])c1cccc(O)c1 ZINC000276770623 497648192 /nfs/dbraw/zinc/64/81/92/497648192.db2.gz OQUKKIYFZKORFZ-MRXNPFEDSA-N -1 3 365.813 3.154 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000289591243 498207398 /nfs/dbraw/zinc/20/73/98/498207398.db2.gz KJZVQRLGQQMHCP-ZYHUDNBSSA-N -1 3 368.193 3.147 20 10 FGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@@H]1CCC(F)(F)C1 ZINC000285841675 498216535 /nfs/dbraw/zinc/21/65/35/498216535.db2.gz BQFLVRQBCWWNSG-SNVBAGLBSA-N -1 3 358.772 3.245 20 10 FGCDHM CCCCN(Cc1csc(CS(C)(=O)=O)n1)Cc1ccccc1[O-] ZINC000282461833 498521223 /nfs/dbraw/zinc/52/12/23/498521223.db2.gz MVBAUQHWMZZBFD-UHFFFAOYSA-N -1 3 368.524 3.196 20 10 FGCDHM COc1ccc([C@H](NC(=O)c2cccc(O)c2[O-])C2CCOCC2)cc1 ZINC000365599841 498552149 /nfs/dbraw/zinc/55/21/49/498552149.db2.gz SVOOTIBCLMSLDI-SFHVURJKSA-N -1 3 357.406 3.004 20 10 FGCDHM CCOC(=O)[C@H](F)C1CN(Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000293987653 498554548 /nfs/dbraw/zinc/55/45/48/498554548.db2.gz RTQMWLPPABHSCQ-HXUWFJFHSA-N -1 3 373.424 3.304 20 10 FGCDHM COc1c([O-])c(CN2CCC(OC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000365826425 498657170 /nfs/dbraw/zinc/65/71/70/498657170.db2.gz QTWGNQNZRNBHJF-UHFFFAOYSA-N -1 3 350.415 3.233 20 10 FGCDHM COCc1nccc([C@H]2CCCN(Cc3cc(F)cc(C(C)=O)c3[O-])C2)n1 ZINC000372680257 499159716 /nfs/dbraw/zinc/15/97/16/499159716.db2.gz HENVTGVOYDUPHD-AWEZNQCLSA-N -1 3 373.428 3.050 20 10 FGCDHM Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1Cc1ccccc1[O-] ZINC000371677885 499354154 /nfs/dbraw/zinc/35/41/54/499354154.db2.gz WRKMVAQHUOAFTE-OAHLLOKOSA-N -1 3 369.387 3.341 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)c1[O-] ZINC000375875065 499564039 /nfs/dbraw/zinc/56/40/39/499564039.db2.gz SDNRDADAFCXFJA-MSOLQXFVSA-N -1 3 364.873 3.224 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000376431405 499608223 /nfs/dbraw/zinc/60/82/23/499608223.db2.gz ALZUZTWGLBJQII-UHFFFAOYSA-N -1 3 351.324 3.431 20 10 FGCDHM CN(C(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812797 607440247 /nfs/dbraw/zinc/44/02/47/607440247.db2.gz USLGRGOFBMTAPB-KTKRTIGZSA-N -1 3 368.466 3.297 20 10 FGCDHM CN(C(=O)C=Cc1cnc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812797 607440249 /nfs/dbraw/zinc/44/02/49/607440249.db2.gz USLGRGOFBMTAPB-KTKRTIGZSA-N -1 3 368.466 3.297 20 10 FGCDHM CCc1oc(C(=O)[O-])cc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000830363745 601417722 /nfs/dbraw/zinc/41/77/22/601417722.db2.gz XIZFKNYULOYWFF-INIZCTEOSA-N -1 3 359.422 3.427 20 10 FGCDHM C[C@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@H]1C(=O)[O-] ZINC000828457102 601814287 /nfs/dbraw/zinc/81/42/87/601814287.db2.gz RHEWIBJGLCZQKU-IINYFYTJSA-N -1 3 364.239 3.460 20 10 FGCDHM C[C@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@H]1C(=O)[O-] ZINC000828457102 601814288 /nfs/dbraw/zinc/81/42/88/601814288.db2.gz RHEWIBJGLCZQKU-IINYFYTJSA-N -1 3 364.239 3.460 20 10 FGCDHM CCC1(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CCC1 ZINC000820966377 606579258 /nfs/dbraw/zinc/57/92/58/606579258.db2.gz DIVIHPZJAPUPJO-UHFFFAOYSA-N -1 3 364.453 3.337 20 10 FGCDHM CC[C@@H]1C[C@H](CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])CCO1 ZINC000780758661 724498768 /nfs/dbraw/zinc/49/87/68/724498768.db2.gz VPQUOAQHGPBLOI-CZUORRHYSA-N -1 3 355.862 3.226 20 10 FGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Br)cc1F ZINC000804891500 724561077 /nfs/dbraw/zinc/56/10/77/724561077.db2.gz CWIZJWCGCMVJIG-MRVPVSSYSA-N -1 3 354.175 3.490 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCS[C@H]3COCC[C@@H]32)c1 ZINC000781907742 724610881 /nfs/dbraw/zinc/61/08/81/724610881.db2.gz IOGDVQIIYKHLKW-KBPBESRZSA-N -1 3 358.301 3.169 20 10 FGCDHM CS(=O)(=O)CCN(Cc1cc2oc3ccccc3c2cc1[O-])C1CC1 ZINC000753808231 722914076 /nfs/dbraw/zinc/91/40/76/722914076.db2.gz GXYCCWNGMLXKIL-UHFFFAOYSA-N -1 3 359.447 3.301 20 10 FGCDHM CCCCCC(C)(C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000755860623 722957717 /nfs/dbraw/zinc/95/77/17/722957717.db2.gz SMKSAJHDQJRZHQ-UHFFFAOYSA-N -1 3 356.488 3.100 20 10 FGCDHM CCc1nnc([C@@H](C)N[C@@H](C)c2cc(Br)c(F)cc2[O-])[nH]1 ZINC000756779207 722969977 /nfs/dbraw/zinc/96/99/77/722969977.db2.gz RAOQPSPQKXRYNN-JGVFFNPUSA-N -1 3 357.227 3.386 20 10 FGCDHM COc1cc([C@H](C)NCc2c([O-])ccc(Cl)c2F)ccc1OCCO ZINC000790956987 723199261 /nfs/dbraw/zinc/19/92/61/723199261.db2.gz ZUBAKJSAMATOHI-NSHDSACASA-N -1 3 369.820 3.415 20 10 FGCDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])CCN1CC(F)(F)F ZINC000770390135 723712824 /nfs/dbraw/zinc/71/28/24/723712824.db2.gz KKFXFRZEFZMQGC-JTQLQIEISA-N -1 3 367.209 3.223 20 10 FGCDHM C[C@@H](Nc1cnn(CC(=O)N(C)C)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774351228 723884902 /nfs/dbraw/zinc/88/49/02/723884902.db2.gz CZCLYARDRMKNPF-SECBINFHSA-N -1 3 357.241 3.157 20 10 FGCDHM COc1cccc(F)c1[C@@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775021588 723953032 /nfs/dbraw/zinc/95/30/32/723953032.db2.gz PYKBUCGXFCOIQT-SNVBAGLBSA-N -1 3 350.346 3.308 20 10 FGCDHM CC(Cl)(Cl)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000777420757 724224234 /nfs/dbraw/zinc/22/42/34/724224234.db2.gz VMARCWUKNWATLD-GFCCVEGCSA-N -1 3 365.688 3.320 20 10 FGCDHM CC[C@H](N[C@@H](C(N)=O)c1ccccn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000824515830 729344813 /nfs/dbraw/zinc/34/48/13/729344813.db2.gz IPFNQKRPJAZMRC-SWLSCSKDSA-N -1 3 353.344 3.073 20 10 FGCDHM Cc1ccc(C)c(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826285376 729406973 /nfs/dbraw/zinc/40/69/73/729406973.db2.gz YBXQVXRNCRBSFJ-UHFFFAOYSA-N -1 3 373.873 3.450 20 10 FGCDHM Cc1ccc(C)c(NC(=S)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826285376 729406974 /nfs/dbraw/zinc/40/69/74/729406974.db2.gz YBXQVXRNCRBSFJ-UHFFFAOYSA-N -1 3 373.873 3.450 20 10 FGCDHM O=C(CSC1CC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000827095860 729424200 /nfs/dbraw/zinc/42/42/00/729424200.db2.gz MKZIIFOOVMVFHY-CQSZACIVSA-N -1 3 354.903 3.022 20 10 FGCDHM CC1(C)Cc2n[nH]cc2CN(Cc2ccc(Br)cc2[O-])C1 ZINC000828014058 729438490 /nfs/dbraw/zinc/43/84/90/729438490.db2.gz RZXBFWSPNRYWNY-UHFFFAOYSA-N -1 3 350.260 3.462 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CNCc2cccnc2N2CCCC2)c1[O-] ZINC000850352648 731346882 /nfs/dbraw/zinc/34/68/82/731346882.db2.gz DALOLUFOJNSTIO-UHFFFAOYSA-N -1 3 362.817 3.239 20 10 FGCDHM CCOC(=O)c1ccc(CNCc2c([O-])cccc2Br)o1 ZINC000862367500 732817293 /nfs/dbraw/zinc/81/72/93/732817293.db2.gz KVOVDWUSDJEKDY-UHFFFAOYSA-N -1 3 354.200 3.214 20 10 FGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccnc(N2CCSCC2)c1 ZINC000865721079 733259803 /nfs/dbraw/zinc/25/98/03/733259803.db2.gz OEUFGYHVGPOTEW-UHFFFAOYSA-N -1 3 367.877 3.423 20 10 FGCDHM COc1ccccc1[C@H](CO)NCc1cc(Br)cc(F)c1[O-] ZINC000883004692 737511053 /nfs/dbraw/zinc/51/10/53/737511053.db2.gz RXYUGODTDIYVOD-AWEZNQCLSA-N -1 3 370.218 3.126 20 10 FGCDHM CCS(=O)(=O)N(C)c1ccc(N[C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886638089 739277985 /nfs/dbraw/zinc/27/79/85/739277985.db2.gz LLURNZLEMGFKGI-LBPRGKRZSA-N -1 3 352.431 3.490 20 10 FGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000893965787 742219877 /nfs/dbraw/zinc/21/98/77/742219877.db2.gz ASITUQSCWQGKHF-JTQLQIEISA-N -1 3 354.223 3.397 20 10 FGCDHM CC(=O)NCC[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894781139 742332392 /nfs/dbraw/zinc/33/23/92/742332392.db2.gz OFEVMBVBTJMYTO-LBPRGKRZSA-N -1 3 373.266 3.032 20 10 FGCDHM COc1cc(CNCc2cccc(Cl)c2[O-])c([N+](=O)[O-])cc1OC ZINC000898220166 742761036 /nfs/dbraw/zinc/76/10/36/742761036.db2.gz WLDNCKYPQRXTHQ-UHFFFAOYSA-N -1 3 352.774 3.261 20 10 FGCDHM Cc1csc([C@H](NC(=O)NCc2c([O-])cccc2F)C(F)(F)F)n1 ZINC000931579791 760903695 /nfs/dbraw/zinc/90/36/95/760903695.db2.gz GHECZMNFRPNDPX-NSHDSACASA-N -1 3 363.336 3.399 20 10 FGCDHM Cc1noc([C@@H]2CCCN(Cc3cc(Br)ccc3[O-])C2)n1 ZINC000091832132 494697923 /nfs/dbraw/zinc/69/79/23/494697923.db2.gz SPHDCDCBOIZTIU-LLVKDONJSA-N -1 3 352.232 3.226 20 10 FGCDHM CC(=O)c1cc(F)cc(CN[C@H](CN2CCCC2=O)c2ccccc2)c1[O-] ZINC000179569554 495644596 /nfs/dbraw/zinc/64/45/96/495644596.db2.gz ZBXUXZYPJFAVAH-LJQANCHMSA-N -1 3 370.424 3.187 20 10 FGCDHM Cc1cc(Br)cc(CN2CCCN(C(=O)C(C)C)CC2)c1[O-] ZINC000179796470 495736366 /nfs/dbraw/zinc/73/63/66/495736366.db2.gz YUAIVONQNHQNKI-UHFFFAOYSA-N -1 3 369.303 3.153 20 10 FGCDHM CCc1nn(C)c(OC)c1CN[C@@H](C)c1cc(Br)ccc1[O-] ZINC000185866030 495757137 /nfs/dbraw/zinc/75/71/37/495757137.db2.gz GZQJZQXHLSHIAH-JTQLQIEISA-N -1 3 368.275 3.310 20 10 FGCDHM O=S1(=O)CCCN1c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000156560812 496279424 /nfs/dbraw/zinc/27/94/24/496279424.db2.gz QMVPCOQMFASMIV-UHFFFAOYSA-N -1 3 352.843 3.198 20 10 FGCDHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(N(C)C)cc2)cc1OC ZINC000277525348 496801242 /nfs/dbraw/zinc/80/12/42/496801242.db2.gz YXKOVUAEKOIWAZ-KRWDZBQOSA-N -1 3 358.438 3.075 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(OC)c(NC(C)=O)c2)c1 ZINC000273489233 496821049 /nfs/dbraw/zinc/82/10/49/496821049.db2.gz NUUPLRWLNHRDPY-NSHDSACASA-N -1 3 358.394 3.319 20 10 FGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@H]1CCc2c1cccc2O ZINC000277902278 496928824 /nfs/dbraw/zinc/92/88/24/496928824.db2.gz PPJHCKIESOFRGU-HNNXBMFYSA-N -1 3 372.808 3.203 20 10 FGCDHM CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000275191581 497251506 /nfs/dbraw/zinc/25/15/06/497251506.db2.gz ZNGXMBUQIXOCBO-UHFFFAOYSA-N -1 3 363.435 3.063 20 10 FGCDHM Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000279791097 497543027 /nfs/dbraw/zinc/54/30/27/497543027.db2.gz ITANDSGBNOESFD-AWEZNQCLSA-N -1 3 351.406 3.061 20 10 FGCDHM CCCCCC(=O)NC1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000267441943 497553865 /nfs/dbraw/zinc/55/38/65/497553865.db2.gz IDYYGOLLVBMXNO-UHFFFAOYSA-N -1 3 364.461 3.395 20 10 FGCDHM COc1ccc([C@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])cc1OC ZINC000267631913 497591905 /nfs/dbraw/zinc/59/19/05/497591905.db2.gz XHHIAFKYVULYJT-OAHLLOKOSA-N -1 3 357.406 3.401 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C1CCC(O)CC1 ZINC000194408472 497656184 /nfs/dbraw/zinc/65/61/84/497656184.db2.gz BHEVGEWQXQEXFD-UHFFFAOYSA-N -1 3 356.260 3.054 20 10 FGCDHM CC[C@H](NCc1cnc(N2CCOCC2)c(F)c1)c1ccc(F)cc1[O-] ZINC000286191349 498320078 /nfs/dbraw/zinc/32/00/78/498320078.db2.gz QWEMIXBQBSBBKW-KRWDZBQOSA-N -1 3 363.408 3.143 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000365790099 498642131 /nfs/dbraw/zinc/64/21/31/498642131.db2.gz NPNMMSHMDYHDPH-OAHLLOKOSA-N -1 3 351.761 3.104 20 10 FGCDHM CN1CCC(n2ccc(NCc3cc(Cl)cc(Cl)c3[O-])n2)CC1 ZINC000365954477 498710977 /nfs/dbraw/zinc/71/09/77/498710977.db2.gz LKYFKIMOVMLAOX-UHFFFAOYSA-N -1 3 355.269 3.196 20 10 FGCDHM C[C@@H](NCc1ncnn1C(C)(C)C)c1ccc(Br)cc1[O-] ZINC000282944127 498720605 /nfs/dbraw/zinc/72/06/05/498720605.db2.gz YYHCLHMUEHSYCH-SNVBAGLBSA-N -1 3 353.264 3.352 20 10 FGCDHM COC(=O)C[C@](C)(NCc1cc(Cl)c(F)cc1[O-])c1ccncc1 ZINC000294783040 498804032 /nfs/dbraw/zinc/80/40/32/498804032.db2.gz UPYGABAEYHKJMD-KRWDZBQOSA-N -1 3 352.793 3.148 20 10 FGCDHM CC[C@@H](NCc1cccc(S(=O)(=O)NC)c1)c1cccc(Cl)c1[O-] ZINC000287904069 498898451 /nfs/dbraw/zinc/89/84/51/498898451.db2.gz ZTBZQSYBSHJJST-MRXNPFEDSA-N -1 3 368.886 3.195 20 10 FGCDHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3ccc(O)c(O)c3)c2)n1 ZINC000368036569 499258100 /nfs/dbraw/zinc/25/81/00/499258100.db2.gz SATAXGIHIFYVGV-SOFGYWHQSA-N -1 3 363.373 3.221 20 10 FGCDHM C[C@H]([NH2+]C1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccc(F)cc1[O-] ZINC000368333595 499286406 /nfs/dbraw/zinc/28/64/06/499286406.db2.gz RSMPPGHVLDOWCZ-ZDUSSCGKSA-N -1 3 358.413 3.192 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](OCc3csc(C)n3)C2)c1[O-] ZINC000372283471 499416378 /nfs/dbraw/zinc/41/63/78/499416378.db2.gz SVQFHWXXWOKAGT-INIZCTEOSA-N -1 3 364.442 3.290 20 10 FGCDHM CC[C@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1ccc(F)cc1[O-] ZINC000375803672 499557262 /nfs/dbraw/zinc/55/72/62/499557262.db2.gz DVPZIPGFBWICJG-IRXDYDNUSA-N -1 3 358.413 3.212 20 10 FGCDHM CC[C@@H](NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(F)cc1[O-] ZINC000375836507 499560556 /nfs/dbraw/zinc/56/05/56/499560556.db2.gz CSAAAAYOPFXIFX-ZWNOBZJWSA-N -1 3 372.366 3.488 20 10 FGCDHM COc1c([O-])c(CN[C@@H](C)c2nccn2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000377868122 499743432 /nfs/dbraw/zinc/74/34/32/499743432.db2.gz FWDYUUXMZVXMMV-ZDUSSCGKSA-N -1 3 368.393 3.346 20 10 FGCDHM COc1c([O-])c(CN[C@@H]2COc3cccc(Cl)c32)ccc1[N+](=O)[O-] ZINC000377882059 499744983 /nfs/dbraw/zinc/74/49/83/499744983.db2.gz CFWZHYGUKJTVFT-LLVKDONJSA-N -1 3 350.758 3.186 20 10 FGCDHM [O-]c1c(Br)cccc1CNC[C@@H](n1cccn1)C(F)(F)F ZINC000527742333 503923507 /nfs/dbraw/zinc/92/35/07/503923507.db2.gz JXMXBAFXQFSXRS-LLVKDONJSA-N -1 3 364.165 3.244 20 10 FGCDHM Fc1cccc(Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c1-c1nnn[n-]1 ZINC000737651213 598857281 /nfs/dbraw/zinc/85/72/81/598857281.db2.gz JHRQDBAPOKWMSI-GFCCVEGCSA-N -1 3 372.379 3.479 20 10 FGCDHM Fc1cccc(Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c1-c1nn[n-]n1 ZINC000737651213 598857282 /nfs/dbraw/zinc/85/72/82/598857282.db2.gz JHRQDBAPOKWMSI-GFCCVEGCSA-N -1 3 372.379 3.479 20 10 FGCDHM CCN(CC(C)C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736512873 598610329 /nfs/dbraw/zinc/61/03/29/598610329.db2.gz LFCJPGUKAZBTOR-UHFFFAOYSA-N -1 3 366.469 3.392 20 10 FGCDHM CCN(C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C1CCC1 ZINC000736504482 599571342 /nfs/dbraw/zinc/57/13/42/599571342.db2.gz AOCJBXNWJRCQPI-UHFFFAOYSA-N -1 3 364.453 3.289 20 10 FGCDHM COc1cc(Br)cc(C[NH2+]C2(CC(=O)[O-])CCCCC2)c1[O-] ZINC000831861130 601561729 /nfs/dbraw/zinc/56/17/29/601561729.db2.gz NYCYZLKSDYUVLQ-UHFFFAOYSA-N -1 3 372.259 3.431 20 10 FGCDHM O=C(c1ccc(F)cc1F)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000130902531 700807864 /nfs/dbraw/zinc/80/78/64/700807864.db2.gz ZUSFSQKTJFWXDL-UHFFFAOYSA-N -1 3 366.795 3.282 20 10 FGCDHM O=C(NCc1cccc(COCC(F)(F)F)c1)c1cccc(O)c1[O-] ZINC000193144932 712882990 /nfs/dbraw/zinc/88/29/90/712882990.db2.gz DWXOZWVYGJYLSW-UHFFFAOYSA-N -1 3 355.312 3.107 20 10 FGCDHM COC(=O)CN(Cc1c([O-])ccc2ccc(OC)cc21)CC(F)(F)F ZINC000193403758 712890158 /nfs/dbraw/zinc/89/01/58/712890158.db2.gz JKHGDUALORQRNV-UHFFFAOYSA-N -1 3 357.328 3.091 20 10 FGCDHM Cc1c(Cl)cccc1N1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000803421614 724449817 /nfs/dbraw/zinc/44/98/17/724449817.db2.gz PFUIWZHONYKQHH-UHFFFAOYSA-N -1 3 360.841 3.412 20 10 FGCDHM CCOC(=O)N[C@@H]1CCCN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781895526 724608835 /nfs/dbraw/zinc/60/88/35/724608835.db2.gz BEFHMYJEEOQXBK-CYBMUJFWSA-N -1 3 371.275 3.174 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(N(C)CC(F)F)CC2)c1[O-] ZINC000750055149 722753176 /nfs/dbraw/zinc/75/31/76/722753176.db2.gz ODPVJNCPRMOSMA-UHFFFAOYSA-N -1 3 360.832 3.410 20 10 FGCDHM CC(=O)c1cc(F)cc(CNC2(C(=O)OC(C)(C)C)CCCC2)c1[O-] ZINC000750820774 722782161 /nfs/dbraw/zinc/78/21/61/722782161.db2.gz SJOBBPDEFVRRJF-UHFFFAOYSA-N -1 3 351.418 3.478 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1 ZINC000790933215 723195319 /nfs/dbraw/zinc/19/53/19/723195319.db2.gz YJUOHSRURLDJCD-GDZNZVCISA-N -1 3 370.287 3.231 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2C[C@@]3(CCOC3)OC(C)(C)C2)c1 ZINC000793365784 723430980 /nfs/dbraw/zinc/43/09/80/723430980.db2.gz OFBSPGKNWPNEHO-QGZVFWFLSA-N -1 3 370.287 3.233 20 10 FGCDHM CCCc1nc(C)c(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])o1 ZINC000794410736 723518828 /nfs/dbraw/zinc/51/88/28/723518828.db2.gz FTTFNSGMVZSXIJ-UHFFFAOYSA-N -1 3 366.845 3.470 20 10 FGCDHM CC(C)(C)NS(=O)(=O)c1ccc(NCc2c([O-])cccc2Cl)nc1 ZINC000765943686 723547976 /nfs/dbraw/zinc/54/79/76/723547976.db2.gz DUMLZKTYHHLLKE-UHFFFAOYSA-N -1 3 369.874 3.130 20 10 FGCDHM CCN(CC(=O)NCc1ccc(F)cc1)Cc1c([O-])cccc1Cl ZINC000768163271 723649052 /nfs/dbraw/zinc/64/90/52/723649052.db2.gz MRDWMLFTFQHVAQ-UHFFFAOYSA-N -1 3 350.821 3.323 20 10 FGCDHM COc1c([O-])c(CNc2ccc(-c3csnn3)cc2)ccc1[N+](=O)[O-] ZINC000774927432 723942988 /nfs/dbraw/zinc/94/29/88/723942988.db2.gz DVQFTSYVNCYQSJ-UHFFFAOYSA-N -1 3 358.379 3.440 20 10 FGCDHM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc(O)c1[O-] ZINC000787468325 725029658 /nfs/dbraw/zinc/02/96/58/725029658.db2.gz JZPABNJKEROVQM-JTQLQIEISA-N -1 3 351.786 3.417 20 10 FGCDHM CC(C)OCc1nc([C@@H](C)NCc2cc(Br)ccc2[O-])no1 ZINC000811518350 725372195 /nfs/dbraw/zinc/37/21/95/725372195.db2.gz LFICZNXRKAKTDB-SNVBAGLBSA-N -1 3 370.247 3.314 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000811520458 725372323 /nfs/dbraw/zinc/37/23/23/725372323.db2.gz PFPRDFTUWTYLGS-GFCCVEGCSA-N -1 3 356.651 3.452 20 10 FGCDHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000816590358 727178330 /nfs/dbraw/zinc/17/83/30/727178330.db2.gz XZOPPRAHSWGYKU-QGZVFWFLSA-N -1 3 362.832 3.418 20 10 FGCDHM Cc1csc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)n1 ZINC000824556502 729347068 /nfs/dbraw/zinc/34/70/68/729347068.db2.gz WFKTZNHSTVBBTA-UHFFFAOYSA-N -1 3 368.300 3.242 20 10 FGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000829927751 729523751 /nfs/dbraw/zinc/52/37/51/729523751.db2.gz XKJOPIYDUWACJV-UHFFFAOYSA-N -1 3 362.451 3.350 20 10 FGCDHM Cc1cc([O-])c(CN2CCN(C(=O)c3ccsc3)CC2)c(Cl)c1 ZINC000840911599 730190195 /nfs/dbraw/zinc/19/01/95/730190195.db2.gz JEWSFTNJEWOVCY-UHFFFAOYSA-N -1 3 350.871 3.374 20 10 FGCDHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2COC)cc1 ZINC000840916262 730190976 /nfs/dbraw/zinc/19/09/76/730190976.db2.gz YWBLOOIHTVPKSP-UHFFFAOYSA-N -1 3 351.424 3.128 20 10 FGCDHM CN(Cc1c([O-])cccc1Br)[C@H]1CCCc2c1cnn2C ZINC000862250628 732798623 /nfs/dbraw/zinc/79/86/23/732798623.db2.gz MUMNPQHLHPRXHP-AWEZNQCLSA-N -1 3 350.260 3.398 20 10 FGCDHM C[C@@](CO)(NCc1cc(Cl)c(F)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000877691426 736706281 /nfs/dbraw/zinc/70/62/81/736706281.db2.gz LBESIKOSNLTBRO-INIZCTEOSA-N -1 3 354.765 3.090 20 10 FGCDHM COc1ccc(O)c([C@@H](C)NCc2ncc(Br)cc2[O-])c1 ZINC000894501712 742292622 /nfs/dbraw/zinc/29/26/22/742292622.db2.gz FNVFKRSIJGCQFV-SECBINFHSA-N -1 3 353.216 3.115 20 10 FGCDHM Cn1ccnc1[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894572067 742300843 /nfs/dbraw/zinc/30/08/43/742300843.db2.gz CZJQJBDQXDPYRX-NSHDSACASA-N -1 3 368.250 3.407 20 10 FGCDHM C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000903397547 743844549 /nfs/dbraw/zinc/84/45/49/743844549.db2.gz OOMARUBMXOQJMC-NXEZZACHSA-N -1 3 369.252 3.124 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2nncn2CC(C)C)c1[O-] ZINC000079443415 494456305 /nfs/dbraw/zinc/45/63/05/494456305.db2.gz SATWXLQYGMCFDW-QGZVFWFLSA-N -1 3 360.433 3.319 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cc1c(C)noc1C ZINC000075417087 494760196 /nfs/dbraw/zinc/76/01/96/494760196.db2.gz LBSZDKYOMSECNK-UHFFFAOYSA-N -1 3 367.243 3.351 20 10 FGCDHM CC(C)(C)[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000116459348 494791836 /nfs/dbraw/zinc/79/18/36/494791836.db2.gz CSRSDXYALUAPOA-ZDUSSCGKSA-N -1 3 368.499 3.052 20 10 FGCDHM CN(CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1ccccc1[O-] ZINC000111236320 495052986 /nfs/dbraw/zinc/05/29/86/495052986.db2.gz JDVBPZVFGSETLX-UHFFFAOYSA-N -1 3 364.392 3.084 20 10 FGCDHM Cc1ncsc1C(=O)NC1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000123339130 495116591 /nfs/dbraw/zinc/11/65/91/495116591.db2.gz RCFSAEREMPUUCY-UHFFFAOYSA-N -1 3 365.886 3.205 20 10 FGCDHM CCO[C@H](C)c1nc(CN2CCN(Cc3ccccc3[O-])CC2)cs1 ZINC000179581386 495648888 /nfs/dbraw/zinc/64/88/88/495648888.db2.gz ONCGNJNIZFVKOD-OAHLLOKOSA-N -1 3 361.511 3.264 20 10 FGCDHM CC[C@H](C)NS(=O)(=O)Cc1cccc(NCc2cc(F)ccc2[O-])c1 ZINC000180370861 495968628 /nfs/dbraw/zinc/96/86/28/495968628.db2.gz LXQNIMYQZNGMAU-ZDUSSCGKSA-N -1 3 366.458 3.361 20 10 FGCDHM C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1[O-] ZINC000187669486 496528022 /nfs/dbraw/zinc/52/80/22/496528022.db2.gz CMZGIOSNYOPRGN-WDEREUQCSA-N -1 3 355.406 3.486 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(C)c(C(=O)N(C)C)c2)c1 ZINC000273374593 496787152 /nfs/dbraw/zinc/78/71/52/496787152.db2.gz BCPOBLBEAOSIJK-ZDUSSCGKSA-N -1 3 356.422 3.362 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cccnc2OCC(F)F)c1 ZINC000273459325 496812076 /nfs/dbraw/zinc/81/20/76/496812076.db2.gz HVLCNAGGRYKDPR-LLVKDONJSA-N -1 3 366.364 3.069 20 10 FGCDHM CCOc1cc(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])ccc1OC ZINC000273464284 496813977 /nfs/dbraw/zinc/81/39/77/496813977.db2.gz DLFYIXCVGMIGGK-ZDUSSCGKSA-N -1 3 359.422 3.437 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2csc([C@@H](C)OC)n2)c1 ZINC000273568818 496843169 /nfs/dbraw/zinc/84/31/69/496843169.db2.gz KGPYFMZFHOUMFY-GHMZBOCLSA-N -1 3 350.440 3.194 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCO[C@H](C)C1 ZINC000271914533 497487561 /nfs/dbraw/zinc/48/75/61/497487561.db2.gz ASDVPTBXTPFPBM-VXGBXAGGSA-N -1 3 356.260 3.318 20 10 FGCDHM Cc1cc(Br)cc(CN[C@H](c2nncn2C)C(C)C)c1[O-] ZINC000289532681 498182309 /nfs/dbraw/zinc/18/23/09/498182309.db2.gz PZEFZVYIZHXUSM-ZDUSSCGKSA-N -1 3 353.264 3.079 20 10 FGCDHM COc1cc(Cl)cc(CN2CCC[C@H](N3CCCCC3=O)C2)c1[O-] ZINC000360345162 498268015 /nfs/dbraw/zinc/26/80/15/498268015.db2.gz PSAUNFGKSUZTNI-HNNXBMFYSA-N -1 3 352.862 3.031 20 10 FGCDHM CCOCc1nc([C@@H](C)N[C@H](C)c2cc(Br)ccc2[O-])no1 ZINC000290051086 498408560 /nfs/dbraw/zinc/40/85/60/498408560.db2.gz FBMSIULVILMUGL-NXEZZACHSA-N -1 3 370.247 3.486 20 10 FGCDHM COc1ccc(N2CCC(N(C)C(=O)c3cc(C)ccc3[O-])CC2)cc1 ZINC000363449471 498826579 /nfs/dbraw/zinc/82/65/79/498826579.db2.gz LEUHVGKCGMPDAA-UHFFFAOYSA-N -1 3 354.450 3.450 20 10 FGCDHM CC[C@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1ccc(F)cc1[O-] ZINC000367631790 499219881 /nfs/dbraw/zinc/21/98/81/499219881.db2.gz FJWWXERVPQQJHD-HNNXBMFYSA-N -1 3 364.442 3.417 20 10 FGCDHM C[C@@H](NCC(=O)N1CCc2sccc2C1)c1cc(Cl)ccc1[O-] ZINC000368324496 499285451 /nfs/dbraw/zinc/28/54/51/499285451.db2.gz QUZWFPRIDWPHLR-LLVKDONJSA-N -1 3 350.871 3.343 20 10 FGCDHM CC[C@@H](c1ccccc1[O-])N1CCOC[C@H]1c1ncnn1-c1ccccc1 ZINC000368591131 499311184 /nfs/dbraw/zinc/31/11/84/499311184.db2.gz GMAPLJGKOVYTPX-OALUTQOASA-N -1 3 364.449 3.498 20 10 FGCDHM COc1c([O-])c(CN2CCC[C@@H](n3ccnc3C(C)C)C2)ccc1[N+](=O)[O-] ZINC000373207994 499457457 /nfs/dbraw/zinc/45/74/57/499457457.db2.gz FXKWPBMHNLUEBY-OAHLLOKOSA-N -1 3 374.441 3.466 20 10 FGCDHM CN(C)CCNC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000527767927 503934025 /nfs/dbraw/zinc/93/40/25/503934025.db2.gz ZSPRVJRLFBCFCZ-UHFFFAOYSA-N -1 3 365.836 3.088 20 10 FGCDHM CCn1nncc1CN[C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000527913558 503997151 /nfs/dbraw/zinc/99/71/51/503997151.db2.gz AONDXYWHURUMAU-QMMMGPOBSA-N -1 3 359.655 3.270 20 10 FGCDHM CC[C@@H](NC(c1nccn1C)c1nccn1C)c1cc(Cl)ccc1[O-] ZINC000527944919 504009364 /nfs/dbraw/zinc/00/93/64/504009364.db2.gz IZMPRXZARQNXLD-CQSZACIVSA-N -1 3 359.861 3.343 20 10 FGCDHM CCC(CC)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736342961 598239856 /nfs/dbraw/zinc/23/98/56/598239856.db2.gz UTGSJHXQIKSXCC-UHFFFAOYSA-N -1 3 366.469 3.440 20 10 FGCDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000736140537 598241975 /nfs/dbraw/zinc/24/19/75/598241975.db2.gz XFIAORHTTYYHDJ-ZDUSSCGKSA-N -1 3 368.416 3.016 20 10 FGCDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000736140536 598241986 /nfs/dbraw/zinc/24/19/86/598241986.db2.gz XFIAORHTTYYHDJ-CYBMUJFWSA-N -1 3 368.416 3.016 20 10 FGCDHM Cc1cc(C(=O)N[C@@H]2CC=CCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233368 599391464 /nfs/dbraw/zinc/39/14/64/599391464.db2.gz BTOFBSPXAPPRPN-MRXNPFEDSA-N -1 3 362.437 3.113 20 10 FGCDHM CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000829497219 604770680 /nfs/dbraw/zinc/77/06/80/604770680.db2.gz ZFMRNAXJNXEFLM-OAHLLOKOSA-N -1 3 370.449 3.007 20 10 FGCDHM CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000829497219 604770683 /nfs/dbraw/zinc/77/06/83/604770683.db2.gz ZFMRNAXJNXEFLM-OAHLLOKOSA-N -1 3 370.449 3.007 20 10 FGCDHM c1csc(SCCCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)n1 ZINC000826526762 607842516 /nfs/dbraw/zinc/84/25/16/607842516.db2.gz LQRBVKCYIQFNMW-UHFFFAOYSA-N -1 3 369.479 3.466 20 10 FGCDHM c1csc(SCCCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)n1 ZINC000826526762 607842517 /nfs/dbraw/zinc/84/25/17/607842517.db2.gz LQRBVKCYIQFNMW-UHFFFAOYSA-N -1 3 369.479 3.466 20 10 FGCDHM COc1ccc(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1O ZINC000092404919 700435634 /nfs/dbraw/zinc/43/56/34/700435634.db2.gz SFGAZEWLPCGDSJ-UHFFFAOYSA-N -1 3 352.774 3.300 20 10 FGCDHM O=C(c1ccc(F)cc1F)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093006552 700446212 /nfs/dbraw/zinc/44/62/12/700446212.db2.gz VRXZRGSVXPCPJU-UHFFFAOYSA-N -1 3 366.795 3.282 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000093457497 700451541 /nfs/dbraw/zinc/45/15/41/700451541.db2.gz UUCFSGBKVMEGKF-QGZVFWFLSA-N -1 3 364.239 3.434 20 10 FGCDHM O=C(Cc1ccccc1F)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000120425895 700654390 /nfs/dbraw/zinc/65/43/90/700654390.db2.gz OBALRBDBNXWADS-UHFFFAOYSA-N -1 3 362.832 3.072 20 10 FGCDHM CN(Cc1ccccc1O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126218955 700745419 /nfs/dbraw/zinc/74/54/19/700745419.db2.gz BYQXXSDKTZYUTO-UHFFFAOYSA-N -1 3 365.227 3.202 20 10 FGCDHM COCCS(=O)(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000182425117 705841355 /nfs/dbraw/zinc/84/13/55/705841355.db2.gz OJGSXAAZFGYIDH-UHFFFAOYSA-N -1 3 364.448 3.057 20 10 FGCDHM COC(=O)[C@H](NCc1cc(F)ccc1[O-])c1ccc(Br)cc1 ZINC000779173813 724397634 /nfs/dbraw/zinc/39/76/34/724397634.db2.gz HWTBVWZHEIWYAA-OAHLLOKOSA-N -1 3 368.202 3.298 20 10 FGCDHM O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(Br)cc1[O-] ZINC000779499651 724416301 /nfs/dbraw/zinc/41/63/01/724416301.db2.gz VTQVXSWSICDYIA-KXFIGUGUSA-N -1 3 350.168 3.218 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCCC[C@@H]2C2OCCO2)c1 ZINC000781913766 724611833 /nfs/dbraw/zinc/61/18/33/724611833.db2.gz TZYFPVFRYJVERP-CQSZACIVSA-N -1 3 356.260 3.191 20 10 FGCDHM CCc1cnc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])s1 ZINC000753542368 722903684 /nfs/dbraw/zinc/90/36/84/722903684.db2.gz KFNAGJKOGXPBTA-UHFFFAOYSA-N -1 3 354.859 3.240 20 10 FGCDHM CC(C)(C)c1nc(CN2CCN(Cc3cc(Cl)ccc3[O-])CC2)no1 ZINC000769464482 723686347 /nfs/dbraw/zinc/68/63/47/723686347.db2.gz YGPOWQXIWZWNTO-UHFFFAOYSA-N -1 3 364.877 3.044 20 10 FGCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCN1CC(F)(F)F ZINC000770390137 723712939 /nfs/dbraw/zinc/71/29/39/723712939.db2.gz KKFXFRZEFZMQGC-SNVBAGLBSA-N -1 3 367.209 3.223 20 10 FGCDHM CCNC(=O)OC[C@@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000809691521 725259103 /nfs/dbraw/zinc/25/91/03/725259103.db2.gz NSWKDISLLPUFJD-ZDUSSCGKSA-N -1 3 371.275 3.255 20 10 FGCDHM C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1cc(Br)ccc1[O-] ZINC000809697899 725260010 /nfs/dbraw/zinc/26/00/10/725260010.db2.gz RDXNCAOTDSEDDG-PELKAZGASA-N -1 3 354.166 3.306 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000809704358 725260617 /nfs/dbraw/zinc/26/06/17/725260617.db2.gz APXAZJGDEZGTFH-ZDUSSCGKSA-N -1 3 368.193 3.434 20 10 FGCDHM CCN(CC(=O)N1CCCCCC1)Cc1cccc(Br)c1[O-] ZINC000809713764 725261826 /nfs/dbraw/zinc/26/18/26/725261826.db2.gz LEWAMQSIQVGEIY-UHFFFAOYSA-N -1 3 369.303 3.379 20 10 FGCDHM Cc1cc(CNCc2c([O-])ccc(Cl)c2F)nc(N2CCCC2)n1 ZINC000814178162 726945554 /nfs/dbraw/zinc/94/55/54/726945554.db2.gz DWHMYEDBIUDTNM-UHFFFAOYSA-N -1 3 350.825 3.173 20 10 FGCDHM C[C@H]1CN(Cc2ccc(Br)cc2[O-])C[C@H](C(F)(F)F)O1 ZINC000824870099 729363057 /nfs/dbraw/zinc/36/30/57/729363057.db2.gz NKKICRMREVPQNF-QPUJVOFHSA-N -1 3 354.166 3.306 20 10 FGCDHM C[C@@H]1C[C@@]2(CCO1)CN(Cc1ccc(Br)cc1[O-])C[C@H](C)O2 ZINC000825754079 729394114 /nfs/dbraw/zinc/39/41/14/729394114.db2.gz ZJWAQNJHHMZRMS-IGCXYCKISA-N -1 3 370.287 3.313 20 10 FGCDHM COc1c([O-])c(CN2C[C@H](C)OC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000848928953 731222222 /nfs/dbraw/zinc/22/22/22/731222222.db2.gz QKFHSPFTDZRJGW-ZDUSSCGKSA-N -1 3 350.415 3.233 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CNc2ccc([C@@H]3CNCCO3)cc2)c1[O-] ZINC000849353116 731251798 /nfs/dbraw/zinc/25/17/98/731251798.db2.gz ZDJYIHMMYIYCQR-INIZCTEOSA-N -1 3 363.801 3.227 20 10 FGCDHM Cc1nc([C@H]2CCCOC2)sc1C(=O)NCc1c([O-])cccc1F ZINC000928705523 760241922 /nfs/dbraw/zinc/24/19/22/760241922.db2.gz JDGAZDMVNHNUCA-NSHDSACASA-N -1 3 350.415 3.120 20 10 FGCDHM CCCC(=O)NC[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000092707399 494721099 /nfs/dbraw/zinc/72/10/99/494721099.db2.gz HTTRGYOUCSNKLB-CYBMUJFWSA-N -1 3 369.303 3.283 20 10 FGCDHM CCCOc1ccc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c([O-])c1 ZINC000154966034 495787497 /nfs/dbraw/zinc/78/74/97/495787497.db2.gz IFJPKINQUWEQKT-GOSISDBHSA-N -1 3 363.479 3.057 20 10 FGCDHM C[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(F)cc1[O-] ZINC000186249631 495914076 /nfs/dbraw/zinc/91/40/76/495914076.db2.gz IHVLADIUIDMJMA-LBPRGKRZSA-N -1 3 350.415 3.244 20 10 FGCDHM COc1ccc(N[C@@H](C)c2ccc(F)cc2[O-])cc1OCC(=O)NC1CC1 ZINC000186266121 495920546 /nfs/dbraw/zinc/92/05/46/495920546.db2.gz LKTDATNAEMIBBJ-LBPRGKRZSA-N -1 3 374.412 3.370 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCC1CCOCC1 ZINC000174490632 495980755 /nfs/dbraw/zinc/98/07/55/495980755.db2.gz YYHCRBYUMLCRCH-UHFFFAOYSA-N -1 3 371.275 3.113 20 10 FGCDHM COc1cc(Cl)cc(CN2CCC(N3CCCCC3=O)CC2)c1[O-] ZINC000184699864 496497929 /nfs/dbraw/zinc/49/79/29/496497929.db2.gz XZSZIHBQLNVWHD-UHFFFAOYSA-N -1 3 352.862 3.031 20 10 FGCDHM COc1cc(Cl)cc(CN(C)Cc2cn(C)nc2C(F)(F)F)c1[O-] ZINC000184703466 496499350 /nfs/dbraw/zinc/49/93/50/496499350.db2.gz BONULVDYPIMGEP-UHFFFAOYSA-N -1 3 363.767 3.439 20 10 FGCDHM COCc1cccc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)c1 ZINC000277405560 496762209 /nfs/dbraw/zinc/76/22/09/496762209.db2.gz QHHONUKVPCDEHN-UHFFFAOYSA-N -1 3 374.824 3.156 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(C)c(C(=O)N(C)C)c2)c1 ZINC000273374592 496788004 /nfs/dbraw/zinc/78/80/04/496788004.db2.gz BCPOBLBEAOSIJK-CYBMUJFWSA-N -1 3 356.422 3.362 20 10 FGCDHM CCOc1cc(CN[C@H](C)c2cc(C(=O)OC)ccc2[O-])ccc1OC ZINC000273464283 496813838 /nfs/dbraw/zinc/81/38/38/496813838.db2.gz DLFYIXCVGMIGGK-CYBMUJFWSA-N -1 3 359.422 3.437 20 10 FGCDHM COc1c([O-])c(CN2CCC([C@H](O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278312378 497071092 /nfs/dbraw/zinc/07/10/92/497071092.db2.gz XDHWRODDFDPKHM-GOSISDBHSA-N -1 3 372.421 3.255 20 10 FGCDHM COc1c([O-])c(CNCc2cc(Cl)cc3c2OCC3)ccc1[N+](=O)[O-] ZINC000278501720 497136512 /nfs/dbraw/zinc/13/65/12/497136512.db2.gz NWNGFPROVPFWHG-UHFFFAOYSA-N -1 3 364.785 3.187 20 10 FGCDHM CCNC(=O)Nc1ccc(C)c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278623924 497172066 /nfs/dbraw/zinc/17/20/66/497172066.db2.gz KGVVTUQFGZBRQC-UHFFFAOYSA-N -1 3 374.397 3.371 20 10 FGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000279854505 497564837 /nfs/dbraw/zinc/56/48/37/497564837.db2.gz PFMXOEHEFRNNBJ-VLIAUNLRSA-N -1 3 371.433 3.153 20 10 FGCDHM Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000272727730 497715059 /nfs/dbraw/zinc/71/50/59/497715059.db2.gz JFSZFGIRFNGMAG-OAHLLOKOSA-N -1 3 365.433 3.369 20 10 FGCDHM CC[C@H](N[C@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1[O-] ZINC000285973392 498257080 /nfs/dbraw/zinc/25/70/80/498257080.db2.gz HFZJKDNIAXWOKZ-PXAZEXFGSA-N -1 3 366.458 3.241 20 10 FGCDHM CC(C)(CO)[C@@H](NCc1cc(Br)ccc1[O-])c1cccnc1 ZINC000293509373 498400364 /nfs/dbraw/zinc/40/03/64/498400364.db2.gz ADKWJHBHCVKCCO-INIZCTEOSA-N -1 3 365.271 3.399 20 10 FGCDHM CCOCc1nc([C@H](C)N[C@H](C)c2ccc(Br)cc2[O-])no1 ZINC000290279565 498494688 /nfs/dbraw/zinc/49/46/88/498494688.db2.gz XAOSWAPZTFHMGJ-ZJUUUORDSA-N -1 3 370.247 3.486 20 10 FGCDHM COC(=O)C[C@@](C)(NCc1cc(Cl)c(F)cc1[O-])c1ccncc1 ZINC000294783045 498804382 /nfs/dbraw/zinc/80/43/82/498804382.db2.gz UPYGABAEYHKJMD-QGZVFWFLSA-N -1 3 352.793 3.148 20 10 FGCDHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295066945 498898370 /nfs/dbraw/zinc/89/83/70/498898370.db2.gz AMTHGVHGBFAPSN-JTQLQIEISA-N -1 3 372.849 3.025 20 10 FGCDHM Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2c([O-])ccc(Cl)c2F)cn1 ZINC000372811817 499179061 /nfs/dbraw/zinc/17/90/61/499179061.db2.gz LAGDSMVGZOKLRE-WBMJQRKESA-N -1 3 353.825 3.006 20 10 FGCDHM Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC000367535873 499210118 /nfs/dbraw/zinc/21/01/18/499210118.db2.gz MSMVHMQGPMDUDL-AWEZNQCLSA-N -1 3 366.259 3.068 20 10 FGCDHM COCCC[C@@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000370343215 499211554 /nfs/dbraw/zinc/21/15/54/499211554.db2.gz NKWACRZPPGLBEJ-PBHICJAKSA-N -1 3 368.905 3.189 20 10 FGCDHM C[C@@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000368211915 499274442 /nfs/dbraw/zinc/27/44/42/499274442.db2.gz JYAUKRCAEPLGJB-QMTHXVAHSA-N -1 3 373.280 3.130 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCCOCC1 ZINC000373325406 499463599 /nfs/dbraw/zinc/46/35/99/499463599.db2.gz TZOCPQOQKDNXJC-LBPRGKRZSA-N -1 3 356.260 3.320 20 10 FGCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@@H]1CCCc2cn[nH]c21 ZINC000376948416 499648396 /nfs/dbraw/zinc/64/83/96/499648396.db2.gz PFDXMODKAJCXJE-GFCCVEGCSA-N -1 3 355.225 3.299 20 10 FGCDHM COC(=O)c1cc2ccccc2c(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c1[O-] ZINC000737679432 600279674 /nfs/dbraw/zinc/27/96/74/600279674.db2.gz ZHNQPSAYQAPGEH-KRWDZBQOSA-N -1 3 369.417 3.019 20 10 FGCDHM CC1CCC(N2CCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC000736770067 600625254 /nfs/dbraw/zinc/62/52/54/600625254.db2.gz YRNLPKNXYCRNFY-UITAMQMPSA-N -1 3 373.453 3.393 20 10 FGCDHM O=C([O-])N1CC[C@@]2(C1)C[C@@H](NCc1ccccc1O)c1ccccc1O2 ZINC000834088320 605637396 /nfs/dbraw/zinc/63/73/96/605637396.db2.gz WSLMAMFWHQETTH-UZLBHIALSA-N -1 3 354.406 3.128 20 10 FGCDHM O=C([O-])N1CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccccc1O2 ZINC000834088320 605637402 /nfs/dbraw/zinc/63/74/02/605637402.db2.gz WSLMAMFWHQETTH-UZLBHIALSA-N -1 3 354.406 3.128 20 10 FGCDHM O=C([O-])N[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000834159370 605795509 /nfs/dbraw/zinc/79/55/09/605795509.db2.gz SRTOVGDKOFUNNB-PMACEKPBSA-N -1 3 367.449 3.067 20 10 FGCDHM CN(Cc1cc(C(C)(C)C)cc(O)c1O)c1ccccc1-c1nnn[n-]1 ZINC000825953964 607846950 /nfs/dbraw/zinc/84/69/50/607846950.db2.gz TZGMTNTWNIIAGV-UHFFFAOYSA-N -1 3 353.426 3.212 20 10 FGCDHM CN(Cc1cc(C(C)(C)C)cc(O)c1O)c1ccccc1-c1nn[n-]n1 ZINC000825953964 607846951 /nfs/dbraw/zinc/84/69/51/607846951.db2.gz TZGMTNTWNIIAGV-UHFFFAOYSA-N -1 3 353.426 3.212 20 10 FGCDHM CCc1nc(CN2CCN(Cc3c([O-])cccc3Cl)CC2)cs1 ZINC000120044318 700646705 /nfs/dbraw/zinc/64/67/05/700646705.db2.gz AERNWIODOBJMRX-UHFFFAOYSA-N -1 3 351.903 3.382 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C(N)=O)c3ccccc32)c1[O-] ZINC000134213409 704815690 /nfs/dbraw/zinc/81/56/90/704815690.db2.gz MZJOQCWCRPLMLQ-OAHLLOKOSA-N -1 3 358.825 3.227 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN(CC(=O)N(C)C)c2ccccc2)c1[O-] ZINC000177361091 705620277 /nfs/dbraw/zinc/62/02/77/705620277.db2.gz QDDLTWHHKRZWJG-UHFFFAOYSA-N -1 3 360.841 3.343 20 10 FGCDHM O=S1(=O)CCN(Cc2c([O-])ccc3ccccc32)Cc2ccccc21 ZINC000185199692 712688200 /nfs/dbraw/zinc/68/82/00/712688200.db2.gz FMXSGMAXHJJWHN-UHFFFAOYSA-N -1 3 353.443 3.335 20 10 FGCDHM CCOC(=O)N1CCCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781903946 724609905 /nfs/dbraw/zinc/60/99/05/724609905.db2.gz CNICUISCHOAJLT-UHFFFAOYSA-N -1 3 371.275 3.127 20 10 FGCDHM CN(Cc1ccc(Br)c(F)c1)C(=O)c1cccc(O)c1[O-] ZINC000757646325 722977878 /nfs/dbraw/zinc/97/78/78/722977878.db2.gz PYGKXDPINBJUCP-UHFFFAOYSA-N -1 3 354.175 3.272 20 10 FGCDHM O=C(NCc1csc(CCc2ccccc2)n1)c1cccc(O)c1[O-] ZINC000790879598 723188811 /nfs/dbraw/zinc/18/88/11/723188811.db2.gz VJMOOCPRLMTPKL-UHFFFAOYSA-N -1 3 354.431 3.270 20 10 FGCDHM O=C(CNCc1c([O-])ccc(Cl)c1F)Nc1cccc2cccnc21 ZINC000790955294 723198621 /nfs/dbraw/zinc/19/86/21/723198621.db2.gz QCZSCFXHCJOPKU-UHFFFAOYSA-N -1 3 359.788 3.461 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCC(O)(C(F)(F)F)CC2)c1 ZINC000768519744 723660078 /nfs/dbraw/zinc/66/00/78/723660078.db2.gz WOTADTGMYLPZBN-UHFFFAOYSA-N -1 3 368.193 3.352 20 10 FGCDHM COc1c([O-])c([C@@H]2Nc3cc(Cl)ccc3C(=O)N2C)ccc1[N+](=O)[O-] ZINC000772175952 723753080 /nfs/dbraw/zinc/75/30/80/723753080.db2.gz HJSPSQGPIAYZIY-OAHLLOKOSA-N -1 3 363.757 3.159 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C(N)=O)c1ccccc1 ZINC000772797650 723768297 /nfs/dbraw/zinc/76/82/97/723768297.db2.gz HWEVMEIEGKWISR-MRXNPFEDSA-N -1 3 363.255 3.203 20 10 FGCDHM O=C(NC1CC1)OC[C@@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F ZINC000811511711 725371294 /nfs/dbraw/zinc/37/12/94/725371294.db2.gz RJUFERWBAKNGQG-LBPRGKRZSA-N -1 3 356.825 3.428 20 10 FGCDHM CC(C)OCc1nc([C@H](C)NCc2cc(Br)ccc2[O-])no1 ZINC000811518349 725372208 /nfs/dbraw/zinc/37/22/08/725372208.db2.gz LFICZNXRKAKTDB-JTQLQIEISA-N -1 3 370.247 3.314 20 10 FGCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)cc1C ZINC000811704444 725377313 /nfs/dbraw/zinc/37/73/13/725377313.db2.gz GIPITBNIBSSDCE-UHFFFAOYSA-N -1 3 365.451 3.435 20 10 FGCDHM Cc1cnc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)s1 ZINC000824837419 729361444 /nfs/dbraw/zinc/36/14/44/729361444.db2.gz VTNXGBBEEPXEMZ-UHFFFAOYSA-N -1 3 368.300 3.242 20 10 FGCDHM Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1ccc(Br)cc1[O-] ZINC000824927606 729365415 /nfs/dbraw/zinc/36/54/15/729365415.db2.gz PLLYNLCGJIKIKJ-AWEZNQCLSA-N -1 3 366.259 3.068 20 10 FGCDHM CC(C)(C)OC(=O)NCC[C@H](NCc1cc(F)ccc1[O-])C(F)(F)F ZINC000825269278 729376273 /nfs/dbraw/zinc/37/62/73/729376273.db2.gz IFLQNTFLPHDLLO-ZDUSSCGKSA-N -1 3 366.355 3.467 20 10 FGCDHM Cc1cccc(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000826299506 729407210 /nfs/dbraw/zinc/40/72/10/729407210.db2.gz ICWHPDXIDGMDGB-UHFFFAOYSA-N -1 3 373.873 3.450 20 10 FGCDHM Cc1cccc(NC(=S)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000826299506 729407211 /nfs/dbraw/zinc/40/72/11/729407211.db2.gz ICWHPDXIDGMDGB-UHFFFAOYSA-N -1 3 373.873 3.450 20 10 FGCDHM [O-]c1c(Cl)cccc1C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826510942 729408346 /nfs/dbraw/zinc/40/83/46/729408346.db2.gz TVGYMUOECUGNFG-UHFFFAOYSA-N -1 3 355.829 3.390 20 10 FGCDHM [O-]c1c(Cl)cccc1C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826510942 729408347 /nfs/dbraw/zinc/40/83/47/729408347.db2.gz TVGYMUOECUGNFG-UHFFFAOYSA-N -1 3 355.829 3.390 20 10 FGCDHM [O-]c1c(Cl)cccc1C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826510942 729408348 /nfs/dbraw/zinc/40/83/48/729408348.db2.gz TVGYMUOECUGNFG-UHFFFAOYSA-N -1 3 355.829 3.390 20 10 FGCDHM [O-]c1c(Cl)cccc1C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826510942 729408350 /nfs/dbraw/zinc/40/83/50/729408350.db2.gz TVGYMUOECUGNFG-UHFFFAOYSA-N -1 3 355.829 3.390 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCCc3c(cnn3C)C2)c1 ZINC000840953947 730196596 /nfs/dbraw/zinc/19/65/96/730196596.db2.gz AMZHMKJBTDISMZ-UHFFFAOYSA-N -1 3 350.260 3.145 20 10 FGCDHM COC(=O)CN(Cc1cccc2c1NCC2)Cc1cc(Cl)ccc1[O-] ZINC000843064549 730575994 /nfs/dbraw/zinc/57/59/94/730575994.db2.gz XBFKZARNOPUOCV-UHFFFAOYSA-N -1 3 360.841 3.189 20 10 FGCDHM O=S1(=O)CCCN1Cc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000850343368 731344480 /nfs/dbraw/zinc/34/44/80/731344480.db2.gz SGWLUBLNQSSIJT-UHFFFAOYSA-N -1 3 366.870 3.193 20 10 FGCDHM COc1cc(Br)cc(C[NH2+]C[C@H](CC(=O)[O-])CC(C)C)c1[O-] ZINC000854243771 731807717 /nfs/dbraw/zinc/80/77/17/731807717.db2.gz ADLKBTHZRGLGJN-NSHDSACASA-N -1 3 374.275 3.390 20 10 FGCDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@H]2CCC[C@H]21 ZINC000859951078 732421916 /nfs/dbraw/zinc/42/19/16/732421916.db2.gz JIYPGYZJDAPWEA-UXLLHSPISA-N -1 3 365.857 3.412 20 10 FGCDHM COC(=O)[C@@H]1C[C@@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@@H](C)C1 ZINC000860189717 732466412 /nfs/dbraw/zinc/46/64/12/732466412.db2.gz WHJUFSZMFRICQL-PTEHBNRSSA-N -1 3 353.846 3.410 20 10 FGCDHM COc1ccc2c(c1)C(=O)N(C)[C@@H](c1c([O-])cccc1Br)N2 ZINC000877851956 736735293 /nfs/dbraw/zinc/73/52/93/736735293.db2.gz QJTSLKBFDLCUBY-HNNXBMFYSA-N -1 3 363.211 3.360 20 10 FGCDHM CC(C)[C@@H](N[C@H](C)c1cc(Br)c(F)cc1[O-])c1nncn1C ZINC000903063050 743800876 /nfs/dbraw/zinc/80/08/76/743800876.db2.gz BQHHOFGKRIWMQX-YMTOWFKASA-N -1 3 371.254 3.470 20 10 FGCDHM C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000903397548 743844879 /nfs/dbraw/zinc/84/48/79/743844879.db2.gz OOMARUBMXOQJMC-UWVGGRQHSA-N -1 3 369.252 3.124 20 10 FGCDHM COc1ccccc1[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccn1 ZINC000187211588 496341863 /nfs/dbraw/zinc/34/18/63/496341863.db2.gz FHTFFKWXEWSFGM-GOSISDBHSA-N -1 3 350.374 3.021 20 10 FGCDHM Nc1nc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)nc2ccccc12 ZINC000181461104 496406566 /nfs/dbraw/zinc/40/65/66/496406566.db2.gz NFMQNBWJFLAPOC-MRXNPFEDSA-N -1 3 364.449 3.099 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000273489316 496820369 /nfs/dbraw/zinc/82/03/69/496820369.db2.gz NWKCACXTGPNFKO-NSHDSACASA-N -1 3 361.394 3.378 20 10 FGCDHM COc1c([O-])c(CNc2cccc(CCCOC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000278102737 497005702 /nfs/dbraw/zinc/00/57/02/497005702.db2.gz AEWVOWGDSCMNAD-UHFFFAOYSA-N -1 3 374.393 3.417 20 10 FGCDHM Cc1nn2c(nc(C)c2CNCc2cccc(Br)c2[O-])s1 ZINC000278416727 497106964 /nfs/dbraw/zinc/10/69/64/497106964.db2.gz QXKNSCIPGIILIE-UHFFFAOYSA-N -1 3 367.272 3.166 20 10 FGCDHM COC(=O)[C@H](C)Cc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278521286 497141682 /nfs/dbraw/zinc/14/16/82/497141682.db2.gz SBIOFGAKQNHDNZ-GFCCVEGCSA-N -1 3 374.393 3.273 20 10 FGCDHM COc1cc(OC)c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1F ZINC000278844835 497239968 /nfs/dbraw/zinc/23/99/68/497239968.db2.gz KNOGFDDJEVTNAV-UHFFFAOYSA-N -1 3 352.318 3.077 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000271249949 497302191 /nfs/dbraw/zinc/30/21/91/497302191.db2.gz DHPWGTNUTOTMMN-BXUZGUMPSA-N -1 3 371.275 3.254 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@@H]1CCSC1 ZINC000279253042 497383764 /nfs/dbraw/zinc/38/37/64/497383764.db2.gz IJXIDBUGZBRMDG-NSHDSACASA-N -1 3 373.316 3.439 20 10 FGCDHM COC[C@@H](c1ccccc1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277180182 497767196 /nfs/dbraw/zinc/76/71/96/497767196.db2.gz AMZZAKPBZXJWMQ-INIZCTEOSA-N -1 3 374.824 3.198 20 10 FGCDHM Cc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc(N2CCCC2)n1 ZINC000289685807 498247812 /nfs/dbraw/zinc/24/78/12/498247812.db2.gz HYKBZLGIZFGSHY-CQSZACIVSA-N -1 3 356.426 3.455 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC(n3cc(Cl)cn3)CC2)c1[O-] ZINC000365022289 498261467 /nfs/dbraw/zinc/26/14/67/498261467.db2.gz SVWVMSVFDBRMQU-UHFFFAOYSA-N -1 3 351.809 3.421 20 10 FGCDHM [O-]c1ccccc1CN(Cc1ncnn1-c1ccccc1)C[C@@H]1CCCO1 ZINC000281871346 498300068 /nfs/dbraw/zinc/30/00/68/498300068.db2.gz CGYFGTOYRKUXHZ-IBGZPJMESA-N -1 3 364.449 3.154 20 10 FGCDHM Cc1cc(Br)cc(CN2CCOC[C@H]2[C@@H]2CCCC2=O)c1[O-] ZINC000365148471 498323062 /nfs/dbraw/zinc/32/30/62/498323062.db2.gz DPRQSKDOOWWCEE-GJZGRUSLSA-N -1 3 368.271 3.033 20 10 FGCDHM COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccc(C)c(O)c3[O-])C2)c1 ZINC000360988165 498329658 /nfs/dbraw/zinc/32/96/58/498329658.db2.gz BYIRAQLDMNPWBY-ZDUSSCGKSA-N -1 3 357.406 3.053 20 10 FGCDHM COc1cccc([C@H](NC(=O)c2cccc(O)c2[O-])c2cccnc2)c1 ZINC000365943762 498706245 /nfs/dbraw/zinc/70/62/45/498706245.db2.gz FSJBPUWYHLIEIJ-SFHVURJKSA-N -1 3 350.374 3.021 20 10 FGCDHM COc1cc(Cl)cc(CN(Cc2cccc(C(N)=O)c2)C2CC2)c1[O-] ZINC000294913787 498847047 /nfs/dbraw/zinc/84/70/47/498847047.db2.gz YDHIZZPUONXJOX-UHFFFAOYSA-N -1 3 360.841 3.318 20 10 FGCDHM O=C([N-]C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1)C(F)(F)F ZINC000291491022 498961946 /nfs/dbraw/zinc/96/19/46/498961946.db2.gz GPUWEUBARHVEQY-ZDUSSCGKSA-N -1 3 366.383 3.436 20 10 FGCDHM O=C([N-]C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1)C(F)(F)F ZINC000291491022 498961950 /nfs/dbraw/zinc/96/19/50/498961950.db2.gz GPUWEUBARHVEQY-ZDUSSCGKSA-N -1 3 366.383 3.436 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(c3nnc4n3CCC4)CC2)c1[O-] ZINC000372699068 499162818 /nfs/dbraw/zinc/16/28/18/499162818.db2.gz BXKTYXMCYPRVRL-UHFFFAOYSA-N -1 3 374.872 3.166 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2Cn2nc(C)nc2C)c1[O-] ZINC000377985265 499753598 /nfs/dbraw/zinc/75/35/98/499753598.db2.gz FYRRTHHTIHLLDR-INIZCTEOSA-N -1 3 362.861 3.121 20 10 FGCDHM Cc1cc(C(=O)N2C[C@H](C)C[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232950 598952535 /nfs/dbraw/zinc/95/25/35/598952535.db2.gz BGICUHCXBJAJAB-OLZOCXBDSA-N -1 3 364.453 3.145 20 10 FGCDHM CCCN(Cc1ccccc1O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821109489 607287797 /nfs/dbraw/zinc/28/77/97/607287797.db2.gz KJJSMURDHFALEU-UHFFFAOYSA-N -1 3 366.425 3.325 20 10 FGCDHM CCCN(Cc1ccccc1O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821109489 607287798 /nfs/dbraw/zinc/28/77/98/607287798.db2.gz KJJSMURDHFALEU-UHFFFAOYSA-N -1 3 366.425 3.325 20 10 FGCDHM CCC(CC)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736344976 598608416 /nfs/dbraw/zinc/60/84/16/598608416.db2.gz DFJZMRZUDIAXLN-UHFFFAOYSA-N -1 3 352.442 3.193 20 10 FGCDHM O=C([O-])/C=C/c1ccc(N2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000833196367 604281884 /nfs/dbraw/zinc/28/18/84/604281884.db2.gz RVWUVGSULCSAKG-VQHVLOKHSA-N -1 3 359.426 3.147 20 10 FGCDHM Cc1cc(C(=O)N2CC=C(C)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000824852505 607911551 /nfs/dbraw/zinc/91/15/51/607911551.db2.gz NJDWUUDUJPQIRD-UHFFFAOYSA-N -1 3 362.437 3.066 20 10 FGCDHM COc1ccc(O)c([C@H](C)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)c1 ZINC000826210049 609549015 /nfs/dbraw/zinc/54/90/15/609549015.db2.gz CATVDLVOCJSDEJ-VIFPVBQESA-N -1 3 360.805 3.111 20 10 FGCDHM COc1ccc(O)c([C@H](C)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)c1 ZINC000826210049 609549018 /nfs/dbraw/zinc/54/90/18/609549018.db2.gz CATVDLVOCJSDEJ-VIFPVBQESA-N -1 3 360.805 3.111 20 10 FGCDHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000122481082 700690658 /nfs/dbraw/zinc/69/06/58/700690658.db2.gz CCRXFRJGUKXZML-CHWSQXEVSA-N -1 3 363.479 3.025 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCCN(c3nccs3)CC2)c1[O-] ZINC000177267751 705615371 /nfs/dbraw/zinc/61/53/71/705615371.db2.gz WXZHYXLMZKXQRJ-UHFFFAOYSA-N -1 3 365.886 3.417 20 10 FGCDHM Cc1ccc(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)c([O-])c1O ZINC000179502002 705703581 /nfs/dbraw/zinc/70/35/81/705703581.db2.gz QVILTXZRHAKIKO-HSZRJFAPSA-N -1 3 353.827 3.190 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](CC(=O)OC(C)C)C2)c1[O-] ZINC000184481943 712672397 /nfs/dbraw/zinc/67/23/97/712672397.db2.gz CRQHZADRVPIVNZ-CQSZACIVSA-N -1 3 351.418 3.288 20 10 FGCDHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)ccc1F ZINC000187060904 712731692 /nfs/dbraw/zinc/73/16/92/712731692.db2.gz FUZSAQHAJUTEFD-UHFFFAOYSA-N -1 3 366.414 3.216 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2CN2CCCC2=O)c1[O-] ZINC000750045985 722752723 /nfs/dbraw/zinc/75/27/23/722752723.db2.gz ZECLKEYUZQVRKR-MRXNPFEDSA-N -1 3 364.873 3.225 20 10 FGCDHM C[C@H](NCc1ccnc(N(C)C)n1)c1cc(Br)cc(F)c1[O-] ZINC000756790785 722970158 /nfs/dbraw/zinc/97/01/58/722970158.db2.gz PHLXBIGVLIRCLW-VIFPVBQESA-N -1 3 369.238 3.001 20 10 FGCDHM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000758171991 722985493 /nfs/dbraw/zinc/98/54/93/722985493.db2.gz XKZYJSAAMMWOLI-UHFFFAOYSA-N -1 3 360.204 3.403 20 10 FGCDHM COc1cc(OC)c(NC(=O)c2cccc(O)c2[O-])cc1Br ZINC000790947359 723197884 /nfs/dbraw/zinc/19/78/84/723197884.db2.gz ZJFNMSMXLANXDI-UHFFFAOYSA-N -1 3 368.183 3.130 20 10 FGCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1=CC(=O)CS1 ZINC000771055805 723726821 /nfs/dbraw/zinc/72/68/21/723726821.db2.gz FIWHIRAJSYPOJT-ZDUSSCGKSA-N -1 3 366.870 3.207 20 10 FGCDHM O=C1CCCCN1CC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775705260 724028237 /nfs/dbraw/zinc/02/82/37/724028237.db2.gz HZERKSOSZSIMJG-UHFFFAOYSA-N -1 3 354.853 3.409 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCN(c2ncccc2F)CC1 ZINC000824869817 729363104 /nfs/dbraw/zinc/36/31/04/729363104.db2.gz GOYNOXXOMBTULQ-UHFFFAOYSA-N -1 3 366.234 3.011 20 10 FGCDHM O=C(C1CCN(Cc2ccc(Br)cc2[O-])CC1)C(F)(F)F ZINC000825549575 729387454 /nfs/dbraw/zinc/38/74/54/729387454.db2.gz QJQRPNKERJEULR-UHFFFAOYSA-N -1 3 366.177 3.498 20 10 FGCDHM Cc1cc([O-])c(CN2CCS(=O)(=O)c3ccccc3C2)cc1Cl ZINC000825549736 729387492 /nfs/dbraw/zinc/38/74/92/729387492.db2.gz SMIFLXKGSVCERZ-UHFFFAOYSA-N -1 3 351.855 3.144 20 10 FGCDHM [O-]c1c(Cl)cccc1CN1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000826894612 729418194 /nfs/dbraw/zinc/41/81/94/729418194.db2.gz RVJJHDBPSBWMQT-MOPGFXCFSA-N -1 3 358.869 3.131 20 10 FGCDHM C[C@H](NCc1nnc(C2CC2)[nH]1)c1cc(Br)c(F)cc1[O-] ZINC000834871810 729840206 /nfs/dbraw/zinc/84/02/06/729840206.db2.gz SUNUPJLDUORMCX-ZETCQYMHSA-N -1 3 355.211 3.140 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@H](CCO)c2ccccc2F)c1[O-] ZINC000842763569 730540893 /nfs/dbraw/zinc/54/08/93/730540893.db2.gz NVKCOCCBCWFMDC-CQSZACIVSA-N -1 3 354.765 3.306 20 10 FGCDHM CCN(Cc1cc(C(C)=O)no1)Cc1cc(Br)ccc1[O-] ZINC000846810634 730983014 /nfs/dbraw/zinc/98/30/14/730983014.db2.gz YZARUJTZPSXNHB-UHFFFAOYSA-N -1 3 353.216 3.367 20 10 FGCDHM CCOc1cncc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])c1 ZINC000857019809 732091670 /nfs/dbraw/zinc/09/16/70/732091670.db2.gz LTVQLKPIDPWVEB-UHFFFAOYSA-N -1 3 364.829 3.015 20 10 FGCDHM Cn1nccc1[C@H](O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000857061428 732099385 /nfs/dbraw/zinc/09/93/85/732099385.db2.gz QLCSJEBBAANJEL-QGZVFWFLSA-N -1 3 370.280 3.378 20 10 FGCDHM Cc1cnc(N2CCN(Cc3c([O-])cccc3Br)CC2)s1 ZINC000862246201 732796692 /nfs/dbraw/zinc/79/66/92/732796692.db2.gz CASQUSDCMKLOJU-UHFFFAOYSA-N -1 3 368.300 3.242 20 10 FGCDHM C[C@H]1CN(Cc2c([O-])cccc2Br)C[C@H](C(F)(F)F)O1 ZINC000862247677 732797250 /nfs/dbraw/zinc/79/72/50/732797250.db2.gz AAQXHQXFANFVJZ-QPUJVOFHSA-N -1 3 354.166 3.306 20 10 FGCDHM CCC1(CC)CN(Cc2c([O-])cccc2Br)CC[S@@]1=O ZINC000862327408 732808847 /nfs/dbraw/zinc/80/88/47/732808847.db2.gz CETJASMVTZUIHL-FQEVSTJZSA-N -1 3 360.317 3.278 20 10 FGCDHM CCOC(=O)c1cc(CN[C@H](C)c2cccc(C(F)(F)F)c2[O-])on1 ZINC000866516103 733359565 /nfs/dbraw/zinc/35/95/65/733359565.db2.gz QBZHYXXGCLIWGO-SECBINFHSA-N -1 3 358.316 3.427 20 10 FGCDHM Cc1ccc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3[O-])CC2)s1 ZINC000876652468 736127142 /nfs/dbraw/zinc/12/71/42/736127142.db2.gz PBZGAIQUBZLJEF-UHFFFAOYSA-N -1 3 366.433 3.435 20 10 FGCDHM COC(=O)c1cnc([C@@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)s1 ZINC000877643767 736698840 /nfs/dbraw/zinc/69/88/40/736698840.db2.gz IRRSECAFYHVRAC-LLVKDONJSA-N -1 3 368.405 3.293 20 10 FGCDHM COC(=O)c1coc(CNCc2cc(C)cc(Br)c2[O-])c1 ZINC000877699634 736707956 /nfs/dbraw/zinc/70/79/56/736707956.db2.gz SMKOJTDJHCUGKM-UHFFFAOYSA-N -1 3 354.200 3.133 20 10 FGCDHM COC(=O)c1cc(C2CCN(Cc3cccc(Cl)c3[O-])CC2)no1 ZINC000877704580 736708559 /nfs/dbraw/zinc/70/85/59/736708559.db2.gz RDLPDUNMKOHYLZ-UHFFFAOYSA-N -1 3 350.802 3.200 20 10 FGCDHM CCS(=O)(=O)c1ccc([C@H](C)NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883114093 737525170 /nfs/dbraw/zinc/52/51/70/737525170.db2.gz LFOZFZOANBTVJG-NSHDSACASA-N -1 3 355.406 3.315 20 10 FGCDHM Cn1ccnc1[C@H](O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093454751 494892482 /nfs/dbraw/zinc/89/24/82/494892482.db2.gz WFGAKTBGKNIHRS-MRXNPFEDSA-N -1 3 370.280 3.378 20 10 FGCDHM COc1ccc([C@H](CCO)NCc2cc(Cl)cc(C(C)=O)c2[O-])cc1 ZINC000182394610 495547069 /nfs/dbraw/zinc/54/70/69/495547069.db2.gz LQTPWLZAWLNYOX-SFHVURJKSA-N -1 3 363.841 3.470 20 10 FGCDHM CCc1nc2ccccc2n1C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000185905799 495774965 /nfs/dbraw/zinc/77/49/65/495774965.db2.gz ZVIOENKJVSXOGG-UHFFFAOYSA-N -1 3 365.433 3.487 20 10 FGCDHM COc1ccc(N[C@H](C)c2ccc(F)cc2[O-])cc1OCC(=O)NC1CC1 ZINC000186266136 495920216 /nfs/dbraw/zinc/92/02/16/495920216.db2.gz LKTDATNAEMIBBJ-GFCCVEGCSA-N -1 3 374.412 3.370 20 10 FGCDHM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NCc2cc(F)ccc2[O-])c1 ZINC000180370845 495969215 /nfs/dbraw/zinc/96/92/15/495969215.db2.gz LXQNIMYQZNGMAU-CYBMUJFWSA-N -1 3 366.458 3.361 20 10 FGCDHM Cc1ccc(C(=O)N2CCC(c3c[nH]c4ncccc43)CC2)c([O-])c1O ZINC000177673741 496154000 /nfs/dbraw/zinc/15/40/00/496154000.db2.gz KOXNKVHUJBLMMV-UHFFFAOYSA-N -1 3 351.406 3.302 20 10 FGCDHM C[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273364668 496784094 /nfs/dbraw/zinc/78/40/94/496784094.db2.gz DQBRNJIPYQNXPK-CYBMUJFWSA-N -1 3 355.394 3.278 20 10 FGCDHM COCC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(C)o1 ZINC000278499322 497135275 /nfs/dbraw/zinc/13/52/75/497135275.db2.gz NGDXTEMRQOUNKW-CYBMUJFWSA-N -1 3 350.371 3.078 20 10 FGCDHM COc1c([O-])c(CNCc2ccccc2OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000278608758 497166077 /nfs/dbraw/zinc/16/60/77/497166077.db2.gz DNHHWGVYGVGNML-UHFFFAOYSA-N -1 3 372.299 3.497 20 10 FGCDHM Cc1nc(C2(NCc3cc(Br)ccc3[O-])CCCC2)no1 ZINC000237705643 497279247 /nfs/dbraw/zinc/27/92/47/497279247.db2.gz KGZSIDNAXFOBJG-UHFFFAOYSA-N -1 3 352.232 3.405 20 10 FGCDHM COC(=O)[C@H](CC(F)(F)F)NCc1cc(Br)cc(C)c1[O-] ZINC000276420812 497570317 /nfs/dbraw/zinc/57/03/17/497570317.db2.gz GJCVFOLJWIKYGY-JTQLQIEISA-N -1 3 370.165 3.047 20 10 FGCDHM COc1cc(Cl)cc(CNCc2cc(C)nc(N3CCCC3)n2)c1[O-] ZINC000292751318 498133336 /nfs/dbraw/zinc/13/33/36/498133336.db2.gz IMVBXVQXLYCJRX-UHFFFAOYSA-N -1 3 362.861 3.043 20 10 FGCDHM O=C(Nc1nccs1)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000360796384 498312222 /nfs/dbraw/zinc/31/22/22/498312222.db2.gz ZMWKNXJEZYDYTC-UHFFFAOYSA-N -1 3 351.859 3.353 20 10 FGCDHM CC(C)(C)C(=O)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000362354478 498502513 /nfs/dbraw/zinc/50/25/13/498502513.db2.gz UHIZGHIHENPRRU-UHFFFAOYSA-N -1 3 369.303 3.235 20 10 FGCDHM CCCCN(Cc1noc(CCCC(=O)OC)n1)Cc1ccccc1[O-] ZINC000282426387 498506596 /nfs/dbraw/zinc/50/65/96/498506596.db2.gz JSWVSJVBGWJGSZ-UHFFFAOYSA-N -1 3 361.442 3.073 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](OCc3csc(C)n3)C2)c1[O-] ZINC000372283472 499416325 /nfs/dbraw/zinc/41/63/25/499416325.db2.gz SVQFHWXXWOKAGT-MRXNPFEDSA-N -1 3 364.442 3.290 20 10 FGCDHM CCCOc1ccc(CN2CCOC[C@H]2c2c(C)nn(C)c2C)c([O-])c1 ZINC000375262803 499500818 /nfs/dbraw/zinc/50/08/18/499500818.db2.gz XVQDJJMMDAPWJG-SFHVURJKSA-N -1 3 359.470 3.105 20 10 FGCDHM Cc1noc([C@H](NCc2cc(Cl)cc(C)c2[O-])C2CCOCC2)n1 ZINC000375891118 499565182 /nfs/dbraw/zinc/56/51/82/499565182.db2.gz MTIMVGSONGTZGX-OAHLLOKOSA-N -1 3 351.834 3.303 20 10 FGCDHM CN(Cc1c([O-])ccc(Cl)c1F)C1CCN(c2cccnn2)CC1 ZINC000377284577 499676900 /nfs/dbraw/zinc/67/69/00/499676900.db2.gz CSZPFOMSLJUESV-UHFFFAOYSA-N -1 3 350.825 3.076 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2Cn2nc(C)nc2C)c1[O-] ZINC000377985276 499753293 /nfs/dbraw/zinc/75/32/93/499753293.db2.gz FYRRTHHTIHLLDR-MRXNPFEDSA-N -1 3 362.861 3.121 20 10 FGCDHM [O-]c1ccc(Br)cc1CNC[C@H](n1cccn1)C(F)(F)F ZINC000527745934 503926107 /nfs/dbraw/zinc/92/61/07/503926107.db2.gz TVRYTLCSGWYIHK-LBPRGKRZSA-N -1 3 364.165 3.244 20 10 FGCDHM CN(C)CCNC(=O)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000529642078 504751060 /nfs/dbraw/zinc/75/10/60/504751060.db2.gz DTIGEPOZFOUCHN-UHFFFAOYSA-N -1 3 365.836 3.088 20 10 FGCDHM COCCn1c(C)c(C)c2cc(C(=O)N=c3cc4ccccn4[n-]3)ccc21 ZINC000557530991 505158717 /nfs/dbraw/zinc/15/87/17/505158717.db2.gz OSVRAINYEMXKAL-UHFFFAOYSA-N -1 3 362.433 3.226 20 10 FGCDHM Cc1cc(C(=O)NC[C@@H](C)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234950 598611917 /nfs/dbraw/zinc/61/19/17/598611917.db2.gz PATKNYJGRCFQPO-GFCCVEGCSA-N -1 3 364.453 3.050 20 10 FGCDHM O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1F ZINC000833315498 601634769 /nfs/dbraw/zinc/63/47/69/601634769.db2.gz WYTCISSSRHBKKC-INIZCTEOSA-N -1 3 359.397 3.411 20 10 FGCDHM O=C([O-])c1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1F ZINC000833315498 601634772 /nfs/dbraw/zinc/63/47/72/601634772.db2.gz WYTCISSSRHBKKC-INIZCTEOSA-N -1 3 359.397 3.411 20 10 FGCDHM Cc1cc(Br)cc(CN2CCC(N(C)C(=O)[O-])CC2)c1O ZINC000833899050 605992969 /nfs/dbraw/zinc/99/29/69/605992969.db2.gz YPNKYCRYJHPXTE-UHFFFAOYSA-N -1 3 357.248 3.037 20 10 FGCDHM Cc1cc(C(=O)N[C@@H](C)C2CCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258625 607912690 /nfs/dbraw/zinc/91/26/90/607912690.db2.gz QBAJIQPKQGAIEP-ZDUSSCGKSA-N -1 3 364.453 3.193 20 10 FGCDHM CCN(C(=O)C=Cc1cnccc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367210 609509484 /nfs/dbraw/zinc/50/94/84/609509484.db2.gz LBACICWRCPFJLE-DAXSKMNVSA-N -1 3 368.828 3.290 20 10 FGCDHM CCN(C(=O)C=Cc1cnccc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367210 609509486 /nfs/dbraw/zinc/50/94/86/609509486.db2.gz LBACICWRCPFJLE-DAXSKMNVSA-N -1 3 368.828 3.290 20 10 FGCDHM COc1ccc(O)c([C@@H](C)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)c1 ZINC000826210048 609549001 /nfs/dbraw/zinc/54/90/01/609549001.db2.gz CATVDLVOCJSDEJ-SECBINFHSA-N -1 3 360.805 3.111 20 10 FGCDHM COc1ccc(O)c([C@@H](C)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)c1 ZINC000826210048 609549003 /nfs/dbraw/zinc/54/90/03/609549003.db2.gz CATVDLVOCJSDEJ-SECBINFHSA-N -1 3 360.805 3.111 20 10 FGCDHM CCc1nc(CN2CCN(Cc3cc(Cl)ccc3[O-])CC2)cs1 ZINC000092504836 700437011 /nfs/dbraw/zinc/43/70/11/700437011.db2.gz AMYGFKDBMGEXSP-UHFFFAOYSA-N -1 3 351.903 3.382 20 10 FGCDHM Cc1cc(F)c(S(=O)(=O)[N-]CCCSc2nccs2)cc1F ZINC000122230614 700686297 /nfs/dbraw/zinc/68/62/97/700686297.db2.gz WVOFTKRWXIRBLE-UHFFFAOYSA-N -1 3 364.464 3.190 20 10 FGCDHM [O-]c1cccc(Cl)c1CN1CCN(c2ncnc3ccsc32)CC1 ZINC000124612185 700722358 /nfs/dbraw/zinc/72/23/58/700722358.db2.gz PVWSJPOKNZAQRT-UHFFFAOYSA-N -1 3 360.870 3.373 20 10 FGCDHM CCN(CC(=O)c1cccn1C)Cc1cc(Br)ccc1[O-] ZINC000173992957 705481802 /nfs/dbraw/zinc/48/18/02/705481802.db2.gz DNXCULNBWYANTK-UHFFFAOYSA-N -1 3 351.244 3.198 20 10 FGCDHM C[C@H](NCc1cccc(Br)c1[O-])c1nnc2n1CCCCC2 ZINC000314644098 713805558 /nfs/dbraw/zinc/80/55/58/713805558.db2.gz LERNOZPCSUVPJX-NSHDSACASA-N -1 3 365.275 3.323 20 10 FGCDHM COc1ccccc1C(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768253142 723652020 /nfs/dbraw/zinc/65/20/20/723652020.db2.gz VIBDEXHHHUCLOQ-UHFFFAOYSA-N -1 3 360.841 3.012 20 10 FGCDHM COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c(Br)c1 ZINC000780922539 724514936 /nfs/dbraw/zinc/51/49/36/724514936.db2.gz JOAYMZULZQYSBB-UHFFFAOYSA-N -1 3 352.184 3.430 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCCC[C@H]2C2OCCO2)c1 ZINC000781913765 724611883 /nfs/dbraw/zinc/61/18/83/724611883.db2.gz TZYFPVFRYJVERP-AWEZNQCLSA-N -1 3 356.260 3.191 20 10 FGCDHM CCc1cccc(NC(=O)CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000732230922 722482864 /nfs/dbraw/zinc/48/28/64/722482864.db2.gz WFNSAIMLERGJSE-UHFFFAOYSA-N -1 3 363.801 3.245 20 10 FGCDHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F ZINC000742654759 722558823 /nfs/dbraw/zinc/55/88/23/722558823.db2.gz LCJQLSKGQMVOKU-UHFFFAOYSA-N -1 3 366.433 3.434 20 10 FGCDHM O=C([O-])C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccsc1 ZINC000756282993 722962435 /nfs/dbraw/zinc/96/24/35/722962435.db2.gz WWXMPKAWIKLFOF-INIZCTEOSA-N -1 3 364.442 3.029 20 10 FGCDHM O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1cccc(O)c1[O-] ZINC000760710928 723084956 /nfs/dbraw/zinc/08/49/56/723084956.db2.gz GKUFKCKLEIQEBG-CYBMUJFWSA-N -1 3 356.205 3.258 20 10 FGCDHM CCOc1cc(O)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000790408667 723136299 /nfs/dbraw/zinc/13/62/99/723136299.db2.gz FNDJOGOBZKQRNR-UHFFFAOYSA-N -1 3 361.419 3.356 20 10 FGCDHM O=C(NCC1(c2cccc(Br)c2)CC1)c1cccc(O)c1[O-] ZINC000790719052 723170694 /nfs/dbraw/zinc/17/06/94/723170694.db2.gz AAIGYOHTHUAGON-UHFFFAOYSA-N -1 3 362.223 3.322 20 10 FGCDHM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1cccc(O)c1[O-] ZINC000790903325 723191721 /nfs/dbraw/zinc/19/17/21/723191721.db2.gz ZMTLNPYTFUQATG-VIFPVBQESA-N -1 3 368.202 3.360 20 10 FGCDHM CS(=O)(=O)[C@@H]1CCCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000763384707 723339471 /nfs/dbraw/zinc/33/94/71/723339471.db2.gz SZFIMXMZKNZDLJ-CYBMUJFWSA-N -1 3 363.479 3.026 20 10 FGCDHM CCC(CC)C(=O)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000768338690 723654498 /nfs/dbraw/zinc/65/44/98/723654498.db2.gz OFMWYAFJXZNZAN-UHFFFAOYSA-N -1 3 369.303 3.235 20 10 FGCDHM C[C@H](Nc1cnn(CC(=O)N(C)C)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774351229 723885055 /nfs/dbraw/zinc/88/50/55/723885055.db2.gz CZCLYARDRMKNPF-VIFPVBQESA-N -1 3 357.241 3.157 20 10 FGCDHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1C ZINC000775291918 723977290 /nfs/dbraw/zinc/97/72/90/723977290.db2.gz RDLUMYNUWMARIS-UHFFFAOYSA-N -1 3 363.435 3.213 20 10 FGCDHM O=C(N[C@H]1CCOc2c(Br)cccc21)c1cccc(O)c1[O-] ZINC000800576831 724214863 /nfs/dbraw/zinc/21/48/63/724214863.db2.gz YSCPSMOXNMMHDF-LBPRGKRZSA-N -1 3 364.195 3.114 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2cnccc2-n2ccnn2)c1 ZINC000808426992 725200574 /nfs/dbraw/zinc/20/05/74/725200574.db2.gz ZZXFYNFXCOAHDW-UHFFFAOYSA-N -1 3 360.215 3.051 20 10 FGCDHM O=C(NCCO)c1ccc(NCc2c([O-])cccc2Cl)cc1Cl ZINC000811839191 725382708 /nfs/dbraw/zinc/38/27/08/725382708.db2.gz RRBPVRZJQOLBDP-UHFFFAOYSA-N -1 3 355.221 3.033 20 10 FGCDHM CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000817070142 727218753 /nfs/dbraw/zinc/21/87/53/727218753.db2.gz AGFQYZALTIPNDW-UHFFFAOYSA-N -1 3 360.841 3.492 20 10 FGCDHM COc1ccc(OC)c2c1CN(Cc1cc(Cl)c(C)cc1[O-])C[C@H]2O ZINC000824534476 729345975 /nfs/dbraw/zinc/34/59/75/729345975.db2.gz DOZQDUNZTHZBCP-MRXNPFEDSA-N -1 3 363.841 3.420 20 10 FGCDHM COCc1csc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])c1 ZINC000824769892 729358436 /nfs/dbraw/zinc/35/84/36/729358436.db2.gz ZUADUWIPZCGGPF-UHFFFAOYSA-N -1 3 369.870 3.429 20 10 FGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2csc(C(C)(C)O)n2)c1[O-] ZINC000832380076 729709873 /nfs/dbraw/zinc/70/98/73/729709873.db2.gz ZKVBQSZBXPVDBK-UHFFFAOYSA-N -1 3 352.431 3.050 20 10 FGCDHM CC(C)c1nnc(CN[C@H](C)c2cc(Br)c(F)cc2[O-])[nH]1 ZINC000834871138 729840195 /nfs/dbraw/zinc/84/01/95/729840195.db2.gz MASWUXPHLJIGJD-MRVPVSSYSA-N -1 3 357.227 3.386 20 10 FGCDHM Cc1nc(CN2CCN(Cc3c([O-])cc(C)cc3Cl)CC2)cs1 ZINC000840910254 730190026 /nfs/dbraw/zinc/19/00/26/730190026.db2.gz PAJCEKXINPYOOX-UHFFFAOYSA-N -1 3 351.903 3.437 20 10 FGCDHM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000840917729 730191128 /nfs/dbraw/zinc/19/11/28/730191128.db2.gz NICWTAUKPIZYID-UHFFFAOYSA-N -1 3 351.424 3.127 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@@H](CCO)c2ccccc2F)c1[O-] ZINC000842763568 730540753 /nfs/dbraw/zinc/54/07/53/730540753.db2.gz NVKCOCCBCWFMDC-AWEZNQCLSA-N -1 3 354.765 3.306 20 10 FGCDHM CC1(C)C(=O)N[C@@H]1C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000848919373 731220526 /nfs/dbraw/zinc/22/05/26/731220526.db2.gz XBZICZRAMPWLHN-OAHLLOKOSA-N -1 3 357.281 3.436 20 10 FGCDHM [O-]c1cccc(Br)c1CN1CCN(c2ccc(F)cn2)CC1 ZINC000862367519 732817231 /nfs/dbraw/zinc/81/72/31/732817231.db2.gz LJWRSCHCJHIQHM-UHFFFAOYSA-N -1 3 366.234 3.011 20 10 FGCDHM CCOC(=O)c1cc(CN[C@@H](C)c2cccc(C(F)(F)F)c2[O-])on1 ZINC000866516104 733359470 /nfs/dbraw/zinc/35/94/70/733359470.db2.gz QBZHYXXGCLIWGO-VIFPVBQESA-N -1 3 358.316 3.427 20 10 FGCDHM C[C@](CO)(NCc1cc(F)cc(F)c1[O-])c1ccc(Br)cc1 ZINC000883117525 737525950 /nfs/dbraw/zinc/52/59/50/737525950.db2.gz BEKAJJAEUSREQV-MRXNPFEDSA-N -1 3 372.209 3.430 20 10 FGCDHM C[C@@H](N[C@H](C)c1c([O-])cccc1F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000886520396 739264858 /nfs/dbraw/zinc/26/48/58/739264858.db2.gz DAAUAUNHQMAHGX-CHWSQXEVSA-N -1 3 366.458 3.193 20 10 FGCDHM Cn1ccc(C2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)n1 ZINC000896500425 742559562 /nfs/dbraw/zinc/55/95/62/742559562.db2.gz DZTDDLMUKNPKNA-UHFFFAOYSA-N -1 3 350.806 3.067 20 10 FGCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897614042 742695310 /nfs/dbraw/zinc/69/53/10/742695310.db2.gz LZGMASKWAMAUNI-VIFPVBQESA-N -1 3 359.298 3.469 20 10 FGCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)[C@H]1OCCc2sccc21 ZINC000922597036 758958429 /nfs/dbraw/zinc/95/84/29/758958429.db2.gz MRVBGNWPTPULEF-MGPLVRAMSA-N -1 3 350.415 3.095 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCCCOC ZINC000073675492 494411594 /nfs/dbraw/zinc/41/15/94/494411594.db2.gz GGUIZQFKRAKQPB-UHFFFAOYSA-N -1 3 359.264 3.113 20 10 FGCDHM COc1cc(Br)cc(CN2CCO[C@H](c3ccco3)C2)c1[O-] ZINC000093841248 494926449 /nfs/dbraw/zinc/92/64/49/494926449.db2.gz YRSGDOXEZJILPF-HNNXBMFYSA-N -1 3 368.227 3.330 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cc1c(C)n[nH]c1C ZINC000185847886 495749518 /nfs/dbraw/zinc/74/95/18/495749518.db2.gz JBFSQXYSHDAMNQ-UHFFFAOYSA-N -1 3 366.259 3.086 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000155152085 495854662 /nfs/dbraw/zinc/85/46/62/495854662.db2.gz KTMHRMDLZCWXIU-NFAWXSAZSA-N -1 3 369.259 3.006 20 10 FGCDHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(C)c(O)c(C)c3C)ccc21 ZINC000187059585 496274997 /nfs/dbraw/zinc/27/49/97/496274997.db2.gz IWBYZRSPIBVPJF-UHFFFAOYSA-N -1 3 374.462 3.027 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCn3c(nnc3-c3ccccc3)C2)c1[O-] ZINC000175780759 496541570 /nfs/dbraw/zinc/54/15/70/496541570.db2.gz AMGWMMGQBLSSKT-UHFFFAOYSA-N -1 3 366.396 3.008 20 10 FGCDHM Cc1nc(C)c(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)s1 ZINC000277459989 496779774 /nfs/dbraw/zinc/77/97/74/496779774.db2.gz RXLCMSUXDIJWPZ-UHFFFAOYSA-N -1 3 365.842 3.083 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000273489312 496820505 /nfs/dbraw/zinc/82/05/05/496820505.db2.gz NWKCACXTGPNFKO-LLVKDONJSA-N -1 3 361.394 3.378 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2csc([C@H](C)OC)n2)c1 ZINC000273568819 496842701 /nfs/dbraw/zinc/84/27/01/496842701.db2.gz KGPYFMZFHOUMFY-MNOVXSKESA-N -1 3 350.440 3.194 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H](C)c1cn[nH]c1 ZINC000270364910 497111144 /nfs/dbraw/zinc/11/11/44/497111144.db2.gz SDVMRXNDVGJGNZ-SNVBAGLBSA-N -1 3 367.247 3.171 20 10 FGCDHM COc1cc(Cl)cc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000278448905 497117986 /nfs/dbraw/zinc/11/79/86/497117986.db2.gz XNOLMOOQXTYTMF-YMTOWFKASA-N -1 3 353.768 3.189 20 10 FGCDHM C[C@H](c1ccccc1)N(Cc1ccccc1[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000279771314 497536706 /nfs/dbraw/zinc/53/67/06/497536706.db2.gz STWYPQQKIFIMCW-SJORKVTESA-N -1 3 359.491 3.390 20 10 FGCDHM COC(C)(C)C[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277142049 497753801 /nfs/dbraw/zinc/75/38/01/497753801.db2.gz AAKQKCAUNOJTSD-LLVKDONJSA-N -1 3 354.834 3.013 20 10 FGCDHM COc1ccccc1COC1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000272913091 497759989 /nfs/dbraw/zinc/75/99/89/497759989.db2.gz DJWWZABJVQOURQ-UHFFFAOYSA-N -1 3 371.433 3.236 20 10 FGCDHM COCCn1ncc2c1[C@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])CCC2 ZINC000364798667 498149169 /nfs/dbraw/zinc/14/91/69/498149169.db2.gz ZPWLRELSZGQCOB-XHDPSFHLSA-N -1 3 351.397 3.242 20 10 FGCDHM CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000365013469 498254628 /nfs/dbraw/zinc/25/46/28/498254628.db2.gz OLQUIYGRVLUQHX-GOSISDBHSA-N -1 3 374.481 3.050 20 10 FGCDHM Cc1noc([C@H]2CCCN2Cc2cc(Br)cc(C)c2[O-])n1 ZINC000289915085 498351538 /nfs/dbraw/zinc/35/15/38/498351538.db2.gz VHSUQNXYEMKJMD-CYBMUJFWSA-N -1 3 352.232 3.492 20 10 FGCDHM [O-]c1ccc(Cl)cc1CNCc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000364030811 499092828 /nfs/dbraw/zinc/09/28/28/499092828.db2.gz FFACQOYYBGLBJZ-SNVBAGLBSA-N -1 3 360.767 3.052 20 10 FGCDHM COc1c([O-])c(CNc2ccc(F)cc2-c2nnc(C)o2)ccc1[N+](=O)[O-] ZINC000373494694 499473145 /nfs/dbraw/zinc/47/31/45/499473145.db2.gz LCTMLBFIBAREMC-UHFFFAOYSA-N -1 3 374.328 3.419 20 10 FGCDHM Cc1cc(Cl)cc(CN2CCCN(C(=O)c3ccncc3)CC2)c1[O-] ZINC000378439306 499516533 /nfs/dbraw/zinc/51/65/33/499516533.db2.gz OJZYBDPOBNUFID-UHFFFAOYSA-N -1 3 359.857 3.097 20 10 FGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000375694539 499546052 /nfs/dbraw/zinc/54/60/52/499546052.db2.gz VZUUWXYXTNYYEU-HNNXBMFYSA-N -1 3 356.253 3.368 20 10 FGCDHM C[C@@H]1CC[S@](=O)CCN1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000375933571 499569590 /nfs/dbraw/zinc/56/95/90/499569590.db2.gz RTABABPCNASGCR-CPJLOUKISA-N -1 3 359.491 3.314 20 10 FGCDHM Cc1ccc(C(=O)N2CCC[C@]3(CCc4ccccc4O3)C2)c([O-])c1O ZINC000529905412 503751235 /nfs/dbraw/zinc/75/12/35/503751235.db2.gz GESQAVUPBJVDHJ-NRFANRHFSA-N -1 3 353.418 3.406 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCc3nc(C(C)(C)C)ncc3C2)c1[O-] ZINC000528593952 504286946 /nfs/dbraw/zinc/28/69/46/504286946.db2.gz OICHZJIFNUGRCK-UHFFFAOYSA-N -1 3 357.429 3.380 20 10 FGCDHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2NCc1ccc(N2CCCC2)cc1 ZINC000738437287 599274700 /nfs/dbraw/zinc/27/47/00/599274700.db2.gz NSELCWNFPDORQJ-UHFFFAOYSA-N -1 3 371.448 3.049 20 10 FGCDHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2NCc1ccc(N2CCCC2)cc1 ZINC000738437287 599274703 /nfs/dbraw/zinc/27/47/03/599274703.db2.gz NSELCWNFPDORQJ-UHFFFAOYSA-N -1 3 371.448 3.049 20 10 FGCDHM C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736135357 598274681 /nfs/dbraw/zinc/27/46/81/598274681.db2.gz PNKXBEGAFNIEPV-SNVBAGLBSA-N -1 3 374.242 3.186 20 10 FGCDHM Cc1cccc(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737399850 598317502 /nfs/dbraw/zinc/31/75/02/598317502.db2.gz NEEXUKSBJGJLKL-UHFFFAOYSA-N -1 3 359.846 3.142 20 10 FGCDHM Cc1cccc(NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737399850 598317504 /nfs/dbraw/zinc/31/75/04/598317504.db2.gz NEEXUKSBJGJLKL-UHFFFAOYSA-N -1 3 359.846 3.142 20 10 FGCDHM CC[C@H](C)[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736332585 598611487 /nfs/dbraw/zinc/61/14/87/598611487.db2.gz RVYDIDRFJNIPGW-GXTWGEPZSA-N -1 3 366.469 3.439 20 10 FGCDHM Cc1cc(C(=O)N(C)CC(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226904 598611495 /nfs/dbraw/zinc/61/14/95/598611495.db2.gz FVIGMUBUJOILLI-UHFFFAOYSA-N -1 3 366.469 3.392 20 10 FGCDHM Cc1cc(-c2nc(CC3CC3)no2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822128317 599308741 /nfs/dbraw/zinc/30/87/41/599308741.db2.gz AXNQZGLBXIUDGF-UHFFFAOYSA-N -1 3 361.409 3.277 20 10 FGCDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000826250525 607671420 /nfs/dbraw/zinc/67/14/20/607671420.db2.gz FOTNCGSXZIGMGX-UHFFFAOYSA-N -1 3 362.437 3.418 20 10 FGCDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000826250525 607671422 /nfs/dbraw/zinc/67/14/22/607671422.db2.gz FOTNCGSXZIGMGX-UHFFFAOYSA-N -1 3 362.437 3.418 20 10 FGCDHM Cc1c(Cl)cnc(NCc2ccc(N(C)C)c(F)c2)c1-c1nnn[n-]1 ZINC000826240247 609542008 /nfs/dbraw/zinc/54/20/08/609542008.db2.gz KBLMAFZVJYDGCC-UHFFFAOYSA-N -1 3 361.812 3.041 20 10 FGCDHM Cc1c(Cl)cnc(NCc2ccc(N(C)C)c(F)c2)c1-c1nn[n-]n1 ZINC000826240247 609542009 /nfs/dbraw/zinc/54/20/09/609542009.db2.gz KBLMAFZVJYDGCC-UHFFFAOYSA-N -1 3 361.812 3.041 20 10 FGCDHM Cc1ccnc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)c1 ZINC000120883376 700661807 /nfs/dbraw/zinc/66/18/07/700661807.db2.gz GJTOYWNDLXGBHQ-UHFFFAOYSA-N -1 3 362.271 3.180 20 10 FGCDHM O=C([N-][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)C(F)F ZINC000176943210 705598042 /nfs/dbraw/zinc/59/80/42/705598042.db2.gz VMYALEMSYPSIIO-SECBINFHSA-N -1 3 370.293 3.273 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCC(O)(C(F)F)CC2)c1 ZINC000779206745 724399906 /nfs/dbraw/zinc/39/99/06/724399906.db2.gz BRSZBWKHGDXAIO-UHFFFAOYSA-N -1 3 350.203 3.055 20 10 FGCDHM CC[C@H]1CN(Cc2cc(C)cc(Br)c2[O-])C[C@@]2(CCOC2)O1 ZINC000793360875 723429571 /nfs/dbraw/zinc/42/95/71/723429571.db2.gz GXPJQUPISKFYHI-WMLDXEAASA-N -1 3 370.287 3.233 20 10 FGCDHM O=S1(=O)CCN(Cc2c([O-])ccc3ccccc32)CC12CCCCC2 ZINC000754009467 722922952 /nfs/dbraw/zinc/92/29/52/722922952.db2.gz HDCBTNPXDZWGOE-UHFFFAOYSA-N -1 3 359.491 3.479 20 10 FGCDHM O=C([O-])C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccs1 ZINC000789896912 723082879 /nfs/dbraw/zinc/08/28/79/723082879.db2.gz ADFFPYCDUQHZHM-HNNXBMFYSA-N -1 3 364.442 3.029 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2ccc(-n3cncn3)cn2)c1 ZINC000790244754 723116733 /nfs/dbraw/zinc/11/67/33/723116733.db2.gz JLDSHRFEDKYSPR-UHFFFAOYSA-N -1 3 360.215 3.051 20 10 FGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)c(Br)c1 ZINC000790668343 723166183 /nfs/dbraw/zinc/16/61/83/723166183.db2.gz KEQITAWYRLSYSY-MRVPVSSYSA-N -1 3 354.175 3.490 20 10 FGCDHM C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1cccc(O)c1[O-] ZINC000790903323 723191643 /nfs/dbraw/zinc/19/16/43/723191643.db2.gz ZMTLNPYTFUQATG-SECBINFHSA-N -1 3 368.202 3.360 20 10 FGCDHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)c1cccc(NS(C)(=O)=O)c1 ZINC000790962546 723199688 /nfs/dbraw/zinc/19/96/88/723199688.db2.gz QJLJHFOSZJREEM-SNVBAGLBSA-N -1 3 372.849 3.407 20 10 FGCDHM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1c([O-])ccc(Cl)c1F ZINC000792157405 723316388 /nfs/dbraw/zinc/31/63/88/723316388.db2.gz WIDCEGWOUIEBPO-JTQLQIEISA-N -1 3 372.849 3.025 20 10 FGCDHM C[C@H](O)CN(Cc1ccccc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768893405 723671502 /nfs/dbraw/zinc/67/15/02/723671502.db2.gz OCBGBXNSWRVAJQ-LBPRGKRZSA-N -1 3 350.802 3.337 20 10 FGCDHM CCO[C@@H](C)c1noc(CN(C)Cc2cc(Br)ccc2[O-])n1 ZINC000769502705 723687838 /nfs/dbraw/zinc/68/78/38/723687838.db2.gz NNGUHTRWXIORNE-JTQLQIEISA-N -1 3 370.247 3.267 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2ccc(-c3nncn3C)cn2)c1 ZINC000769655036 723691468 /nfs/dbraw/zinc/69/14/68/723691468.db2.gz SPJJCEGQILIEDL-UHFFFAOYSA-N -1 3 374.242 3.266 20 10 FGCDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1OCC ZINC000776748565 724178698 /nfs/dbraw/zinc/17/86/98/724178698.db2.gz PTHSZHDAOTWWMQ-UHFFFAOYSA-N -1 3 351.424 3.299 20 10 FGCDHM Cc1cc(S(=O)(=O)N(C)C)cc(NCc2cccc(F)c2[O-])c1C ZINC000809682234 725258468 /nfs/dbraw/zinc/25/84/68/725258468.db2.gz IARKFIODYATQPN-UHFFFAOYSA-N -1 3 352.431 3.011 20 10 FGCDHM O=[N+]([O-])c1ccc2[nH]c(CNCc3cc(Cl)c(F)cc3[O-])nc2c1 ZINC000816593586 727179115 /nfs/dbraw/zinc/17/91/15/727179115.db2.gz WXODQQKKIKFGQM-UHFFFAOYSA-N -1 3 350.737 3.259 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000819636566 727385888 /nfs/dbraw/zinc/38/58/88/727385888.db2.gz JBVADRPSJKNSSB-UHFFFAOYSA-N -1 3 358.463 3.453 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000824820041 729360053 /nfs/dbraw/zinc/36/00/53/729360053.db2.gz YUCSJVPLPBUVSO-QGZVFWFLSA-N -1 3 364.239 3.434 20 10 FGCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000825754082 729394035 /nfs/dbraw/zinc/39/40/35/729394035.db2.gz ZJWAQNJHHMZRMS-XNJGSVPQSA-N -1 3 370.287 3.313 20 10 FGCDHM C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(Br)cc1[O-] ZINC000825888336 729398601 /nfs/dbraw/zinc/39/86/01/729398601.db2.gz YVQRWBMIXZEFNR-UFBFGSQYSA-N -1 3 354.166 3.306 20 10 FGCDHM CCOc1ccc(OCC)c(NC(=S)NN=c2ncc(Cl)c[n-]2)c1 ZINC000857202380 732111400 /nfs/dbraw/zinc/11/14/00/732111400.db2.gz IUGWTMRVWALUPP-UHFFFAOYSA-N -1 3 367.862 3.241 20 10 FGCDHM CCO[C@H](C)c1noc(CN(C)Cc2c([O-])cccc2Br)n1 ZINC000862248772 732797912 /nfs/dbraw/zinc/79/79/12/732797912.db2.gz AESJQLWOQSDJBL-SNVBAGLBSA-N -1 3 370.247 3.267 20 10 FGCDHM C[C@H](N1CCN(Cc2c([O-])cccc2Br)CC1)C(F)(F)F ZINC000862252735 732799226 /nfs/dbraw/zinc/79/92/26/732799226.db2.gz WVBWDZUJIYDEQW-JTQLQIEISA-N -1 3 367.209 3.223 20 10 FGCDHM [O-]c1c(F)c(F)ccc1CN1CCC(n2cc(Br)cn2)CC1 ZINC000876728034 736137070 /nfs/dbraw/zinc/13/70/70/736137070.db2.gz WIJMBTOURFCGGZ-UHFFFAOYSA-N -1 3 372.213 3.467 20 10 FGCDHM CO[C@H]1C[C@@H]2CN(Cc3cccc(Cl)c3[O-])Cc3cccnc3N2C1 ZINC000877688225 736704793 /nfs/dbraw/zinc/70/47/93/736704793.db2.gz RPMIIGCELVUKCV-CVEARBPZSA-N -1 3 359.857 3.050 20 10 FGCDHM O=C1N[C@H](c2c([O-])cccc2Br)Nc2cc(F)c(F)cc21 ZINC000877860304 736736953 /nfs/dbraw/zinc/73/69/53/736736953.db2.gz MISVRUJIDLTBIE-CYBMUJFWSA-N -1 3 355.138 3.287 20 10 FGCDHM [O-]c1c(F)cc(F)cc1CN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000883108346 737524391 /nfs/dbraw/zinc/52/43/91/737524391.db2.gz DTHJOXDCKOBGLY-CYBMUJFWSA-N -1 3 363.282 3.392 20 10 FGCDHM CC(C)[C@@H](NCc1cc(Cl)cc(Br)c1[O-])c1nncn1C ZINC000883117362 737525880 /nfs/dbraw/zinc/52/58/80/737525880.db2.gz XMXWFMVAGPJKBI-GFCCVEGCSA-N -1 3 373.682 3.424 20 10 FGCDHM [O-]c1c(F)cc(F)cc1CN1CCC(n2cc(Br)cn2)CC1 ZINC000894021246 742227699 /nfs/dbraw/zinc/22/76/99/742227699.db2.gz SVYYSHILOMVYGN-UHFFFAOYSA-N -1 3 372.213 3.467 20 10 FGCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000922762181 759000617 /nfs/dbraw/zinc/00/06/17/759000617.db2.gz VKAASEUISCETMM-XHDPSFHLSA-N -1 3 350.415 3.312 20 10 FGCDHM CCN1C(=O)/C(=C/c2cc(Br)c([O-])c(OC)c2)SC1=S ZINC000020608697 207750121 /nfs/dbraw/zinc/75/01/21/207750121.db2.gz HPDAJRYWWAEJPX-POHAHGRESA-N -1 3 374.281 3.384 20 10 FGCDHM Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cc3c(cc2[O-])OCO3)o1 ZINC000092356002 494605839 /nfs/dbraw/zinc/60/58/39/494605839.db2.gz KHUVSAHXULVXTR-MRXNPFEDSA-N -1 3 365.389 3.112 20 10 FGCDHM COc1ccc(-c2noc(CN(C)Cc3ccccc3[O-])n2)c(OC)c1 ZINC000121148880 494616753 /nfs/dbraw/zinc/61/67/53/494616753.db2.gz ZWRUXQJRAIHBPF-UHFFFAOYSA-N -1 3 355.394 3.091 20 10 FGCDHM COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N(C)Cc2ccccc2[O-])c1 ZINC000111235865 495052325 /nfs/dbraw/zinc/05/23/25/495052325.db2.gz WEIGATTYFRGCCG-GJZGRUSLSA-N -1 3 372.465 3.107 20 10 FGCDHM Cc1nc(C)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000134266485 495128440 /nfs/dbraw/zinc/12/84/40/495128440.db2.gz FOMHQCZNIOCHCJ-OAHLLOKOSA-N -1 3 363.845 3.045 20 10 FGCDHM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182510080 495592304 /nfs/dbraw/zinc/59/23/04/495592304.db2.gz HUBNVKRHSUMGRV-UHFFFAOYSA-N -1 3 356.422 3.124 20 10 FGCDHM Cc1ccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c([O-])c1O ZINC000179505967 495620276 /nfs/dbraw/zinc/62/02/76/495620276.db2.gz ZGYVGPIRJPVTDA-UHFFFAOYSA-N -1 3 357.250 3.363 20 10 FGCDHM COc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1[N-]S(C)(=O)=O ZINC000186405078 495984582 /nfs/dbraw/zinc/98/45/82/495984582.db2.gz PQDAPBZNXYEBIA-SNVBAGLBSA-N -1 3 354.403 3.085 20 10 FGCDHM COc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc(OC)c1OC ZINC000273430235 496803912 /nfs/dbraw/zinc/80/39/12/496803912.db2.gz VIONLZQSUXPATD-NSHDSACASA-N -1 3 362.382 3.177 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc(OC)c(OC)cc2OC)c1 ZINC000273437228 496806030 /nfs/dbraw/zinc/80/60/30/496806030.db2.gz MEYRSPCTLBUIOH-LLVKDONJSA-N -1 3 361.394 3.378 20 10 FGCDHM [O-]c1ccccc1CN(Cc1nncn1-c1ccccc1)C[C@@H]1CCCO1 ZINC000277741984 496871075 /nfs/dbraw/zinc/87/10/75/496871075.db2.gz OXQWFIFOURPCDN-IBGZPJMESA-N -1 3 364.449 3.154 20 10 FGCDHM COc1cc(Cl)cc(CN2CCSC[C@H]2c2cnn(C)c2)c1[O-] ZINC000191746288 496875552 /nfs/dbraw/zinc/87/55/52/496875552.db2.gz RUXFRGJPRKTREY-AWEZNQCLSA-N -1 3 353.875 3.078 20 10 FGCDHM COc1c([O-])c(CN(C)C[C@@H]2OCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278139929 497019095 /nfs/dbraw/zinc/01/90/95/497019095.db2.gz AQXAALYTQKIDHC-KRWDZBQOSA-N -1 3 358.394 3.055 20 10 FGCDHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000270057666 497049279 /nfs/dbraw/zinc/04/92/79/497049279.db2.gz PCURCGGKMFPRSK-UHFFFAOYSA-N -1 3 367.449 3.221 20 10 FGCDHM COC(=O)c1cc(CNCc2cccc(Br)c2[O-])oc1C ZINC000278347746 497082987 /nfs/dbraw/zinc/08/29/87/497082987.db2.gz IEWBZUQUBQMKBA-UHFFFAOYSA-N -1 3 354.200 3.133 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCC[C@H](C)CO ZINC000270593165 497157023 /nfs/dbraw/zinc/15/70/23/497157023.db2.gz YIZXAKADEWZYJI-LBPRGKRZSA-N -1 3 373.291 3.095 20 10 FGCDHM COc1c([O-])c(CNc2ccc(OC[C@@H]3CCCO3)cc2)ccc1[N+](=O)[O-] ZINC000278614231 497168331 /nfs/dbraw/zinc/16/83/31/497168331.db2.gz FCRGIHPJZONFSD-INIZCTEOSA-N -1 3 374.393 3.479 20 10 FGCDHM COc1c([O-])c(CNc2ccccc2O[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000278634179 497175129 /nfs/dbraw/zinc/17/51/29/497175129.db2.gz HDUDIEPIHFFQPH-ZDUSSCGKSA-N -1 3 360.366 3.089 20 10 FGCDHM CCOC(=O)[C@H](NCc1cc(F)ccc1[O-])c1ccc(OC)c(F)c1 ZINC000189683124 497211126 /nfs/dbraw/zinc/21/11/26/497211126.db2.gz FRMJZLJIDDHCPD-QGZVFWFLSA-N -1 3 351.349 3.073 20 10 FGCDHM COC(=O)CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccccc1 ZINC000278952222 497279232 /nfs/dbraw/zinc/27/92/32/497279232.db2.gz ZQSYXOUYCXZYOD-HNNXBMFYSA-N -1 3 374.393 3.093 20 10 FGCDHM C[C@H](O)c1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000277219929 497780615 /nfs/dbraw/zinc/78/06/15/497780615.db2.gz FXFVQIIHNPXFJO-LBPRGKRZSA-N -1 3 374.824 3.063 20 10 FGCDHM COCCn1cc2c(n1)[C@H](N[C@H](C)c1ccc(F)c(F)c1[O-])CCC2 ZINC000364784916 498141319 /nfs/dbraw/zinc/14/13/19/498141319.db2.gz JGXTUSBPISMATI-IAQYHMDHSA-N -1 3 351.397 3.242 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc(C)nc(N3CCCC3)c2)c1 ZINC000289583308 498204179 /nfs/dbraw/zinc/20/41/79/498204179.db2.gz BPTOYQVTSQJACE-HNNXBMFYSA-N -1 3 369.465 3.333 20 10 FGCDHM Cc1cccc(CCCN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)n1 ZINC000286456188 498403481 /nfs/dbraw/zinc/40/34/81/498403481.db2.gz UZCCLUMMOCTSHP-UHFFFAOYSA-N -1 3 373.840 3.146 20 10 FGCDHM [O-]c1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1Cl ZINC000293628025 498434073 /nfs/dbraw/zinc/43/40/73/498434073.db2.gz QVDXRHJITMRKAP-UHFFFAOYSA-N -1 3 350.821 3.311 20 10 FGCDHM COc1cc(Br)cc(CN2CC[C@H](n3cc(C)cn3)C2)c1[O-] ZINC000365613806 498559255 /nfs/dbraw/zinc/55/92/55/498559255.db2.gz CWLFVSPKEPIQPF-AWEZNQCLSA-N -1 3 366.259 3.115 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H](C)[C@@H](C)OC ZINC000290956355 498735835 /nfs/dbraw/zinc/73/58/35/498735835.db2.gz ACKXXZOQPYHZKZ-GHMZBOCLSA-N -1 3 359.264 3.110 20 10 FGCDHM COc1ccc(N2CCC(N(C)C(=O)c3cccc(C)c3[O-])CC2)cc1 ZINC000363632207 498915613 /nfs/dbraw/zinc/91/56/13/498915613.db2.gz ZGCQKJIVDBWERM-UHFFFAOYSA-N -1 3 354.450 3.450 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnn(C)c1Cl ZINC000295255241 498956897 /nfs/dbraw/zinc/95/68/97/498956897.db2.gz KKFQYORXUYTJKB-UHFFFAOYSA-N -1 3 372.650 3.204 20 10 FGCDHM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000291669172 499030317 /nfs/dbraw/zinc/03/03/17/499030317.db2.gz GBONBSHXSQRJPB-CHWSQXEVSA-N -1 3 368.499 3.051 20 10 FGCDHM CC(=O)NCc1ccc([C@@H]2CCCN2Cc2cc(F)cc(C(C)=O)c2[O-])o1 ZINC000364079119 499110415 /nfs/dbraw/zinc/11/04/15/499110415.db2.gz JWRWGGVVWCSCHK-SFHVURJKSA-N -1 3 374.412 3.300 20 10 FGCDHM COCCC[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000370343216 499211671 /nfs/dbraw/zinc/21/16/71/499211671.db2.gz NKWACRZPPGLBEJ-RHSMWYFYSA-N -1 3 368.905 3.189 20 10 FGCDHM C[C@H](NCC(=O)N1CCc2sccc2C1)c1cc(Cl)ccc1[O-] ZINC000368324497 499285573 /nfs/dbraw/zinc/28/55/73/499285573.db2.gz QUZWFPRIDWPHLR-NSHDSACASA-N -1 3 350.871 3.343 20 10 FGCDHM [O-]c1ccc(Cl)cc1CN1CCn2c(Cc3ccccc3)nnc2C1 ZINC000371333603 499311573 /nfs/dbraw/zinc/31/15/73/499311573.db2.gz DUDPAFHXNBJLMJ-UHFFFAOYSA-N -1 3 354.841 3.244 20 10 FGCDHM Cc1ccc(C(=O)N2CCC[C@H](Cn3cnc4ccccc43)C2)c([O-])c1O ZINC000373740502 499485797 /nfs/dbraw/zinc/48/57/97/499485797.db2.gz DODRSYCLFXGADB-HNNXBMFYSA-N -1 3 365.433 3.308 20 10 FGCDHM CC1(C)C[C@@H](C(=O)NCc2cc(Br)ccc2[O-])C(C)(C)O1 ZINC000529389653 504652136 /nfs/dbraw/zinc/65/21/36/504652136.db2.gz RZEREDYYAXRXCP-LBPRGKRZSA-N -1 3 356.260 3.365 20 10 FGCDHM C[C@H]([NH2+]Cc1cccc(Br)c1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736135354 598274980 /nfs/dbraw/zinc/27/49/80/598274980.db2.gz PNKXBEGAFNIEPV-JTQLQIEISA-N -1 3 374.242 3.186 20 10 FGCDHM CCc1oc(C(=O)[O-])cc1CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000830368997 601413462 /nfs/dbraw/zinc/41/34/62/601413462.db2.gz HWKXGMOJEQVARC-UHFFFAOYSA-N -1 3 358.438 3.261 20 10 FGCDHM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(N3CCCCC3)c([N+](=O)[O-])c1)CC2 ZINC000833771876 604648157 /nfs/dbraw/zinc/64/81/57/604648157.db2.gz SRKJFJRAEJJPIO-INIZCTEOSA-N -1 3 373.453 3.272 20 10 FGCDHM CC[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000820988922 606693298 /nfs/dbraw/zinc/69/32/98/606693298.db2.gz JFLJWKQFZSZMQX-OAHLLOKOSA-N -1 3 364.453 3.146 20 10 FGCDHM O=C1CCCCN1C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000093741670 700454165 /nfs/dbraw/zinc/45/41/65/700454165.db2.gz VFMSRGJFQCHSKH-UHFFFAOYSA-N -1 3 367.287 3.132 20 10 FGCDHM C[C@@H](N1CCN(Cc2cc(Br)ccc2[O-])CC1)C(F)(F)F ZINC000093882607 700455395 /nfs/dbraw/zinc/45/53/95/700455395.db2.gz QLWFOKGZNVBTRW-SNVBAGLBSA-N -1 3 367.209 3.223 20 10 FGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000174728356 705516633 /nfs/dbraw/zinc/51/66/33/705516633.db2.gz GRPGNWQTAWRUSM-UHFFFAOYSA-N -1 3 360.204 3.403 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2CN2CCCC2=O)c1[O-] ZINC000750045982 722752782 /nfs/dbraw/zinc/75/27/82/722752782.db2.gz ZECLKEYUZQVRKR-INIZCTEOSA-N -1 3 364.873 3.225 20 10 FGCDHM O=C([O-])C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccsc1 ZINC000756282994 722962447 /nfs/dbraw/zinc/96/24/47/722962447.db2.gz WWXMPKAWIKLFOF-MRXNPFEDSA-N -1 3 364.442 3.029 20 10 FGCDHM O=C([O-])C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccs1 ZINC000789896913 723082604 /nfs/dbraw/zinc/08/26/04/723082604.db2.gz ADFFPYCDUQHZHM-OAHLLOKOSA-N -1 3 364.442 3.029 20 10 FGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000790415736 723137713 /nfs/dbraw/zinc/13/77/13/723137713.db2.gz JXCNOUWXWLYRAQ-UHFFFAOYSA-N -1 3 351.424 3.081 20 10 FGCDHM COc1ccc(Br)cc1CN(C)C(=O)c1cccc(O)c1[O-] ZINC000790462202 723142893 /nfs/dbraw/zinc/14/28/93/723142893.db2.gz KBANRYUECAAWIW-UHFFFAOYSA-N -1 3 366.211 3.141 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000790568386 723153881 /nfs/dbraw/zinc/15/38/81/723153881.db2.gz NCYNIQBZNSSPKI-OCAPTIKFSA-N -1 3 357.250 3.301 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000796032109 723618226 /nfs/dbraw/zinc/61/82/26/723618226.db2.gz NWCBSXYLYMOXSY-DYVFJYSZSA-N -1 3 370.287 3.233 20 10 FGCDHM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cccc(Br)c1[O-] ZINC000769499205 723687532 /nfs/dbraw/zinc/68/75/32/723687532.db2.gz OSKRZCMINRZAII-GJZGRUSLSA-N -1 3 369.303 3.376 20 10 FGCDHM O=C(c1cccc(NCc2c([O-])cccc2Cl)c1)N1CCC(O)CC1 ZINC000770421056 723713609 /nfs/dbraw/zinc/71/36/09/723713609.db2.gz OXAHJMHMVORCQG-UHFFFAOYSA-N -1 3 360.841 3.255 20 10 FGCDHM COc1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1Br ZINC000770502472 723715206 /nfs/dbraw/zinc/71/52/06/723715206.db2.gz JLXIWZCBLDMJRE-UHFFFAOYSA-N -1 3 352.184 3.430 20 10 FGCDHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000773083878 723776264 /nfs/dbraw/zinc/77/62/64/723776264.db2.gz KDWBUYZZHVHGMW-LBPRGKRZSA-N -1 3 354.422 3.379 20 10 FGCDHM [O-]c1c(Br)cccc1CNCc1cn2cccc(F)c2n1 ZINC000775154295 723965261 /nfs/dbraw/zinc/96/52/61/723965261.db2.gz ZEMDWFCWMXRPJN-UHFFFAOYSA-N -1 3 350.191 3.231 20 10 FGCDHM COC(=O)c1sc(NC(=O)c2cccc(O)c2[O-])nc1C1CCCC1 ZINC000788672086 725080255 /nfs/dbraw/zinc/08/02/55/725080255.db2.gz AONQVDOLJHEXLQ-UHFFFAOYSA-N -1 3 362.407 3.251 20 10 FGCDHM COC(=O)[C@H](Cc1ccccc1)NCc1cc(Br)ccc1[O-] ZINC000789570606 725137025 /nfs/dbraw/zinc/13/70/25/725137025.db2.gz OVLVBGPPFQUTRQ-HNNXBMFYSA-N -1 3 364.239 3.029 20 10 FGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccncc1OC[C@@H]1CCOC1 ZINC000808437014 725201074 /nfs/dbraw/zinc/20/10/74/725201074.db2.gz VWVPMLYDJRSOAO-GFCCVEGCSA-N -1 3 366.820 3.285 20 10 FGCDHM COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000809697115 725259803 /nfs/dbraw/zinc/25/98/03/725259803.db2.gz WMSGHXRQPVDHEY-CYBMUJFWSA-N -1 3 355.715 3.112 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697338 725259996 /nfs/dbraw/zinc/25/99/96/725259996.db2.gz FDASZJBPMYZLOY-GHMZBOCLSA-N -1 3 368.193 3.147 20 10 FGCDHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cc(Cl)ccc3[O-])[C@@H]2C1 ZINC000822508357 729185436 /nfs/dbraw/zinc/18/54/36/729185436.db2.gz UPYDSBLZOZVPOJ-IUODEOHRSA-N -1 3 352.862 3.487 20 10 FGCDHM [O-]c1ccc(Cl)c(F)c1CN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000824637581 729352248 /nfs/dbraw/zinc/35/22/48/729352248.db2.gz YORGFURTOAUART-KDOFPFPSSA-N -1 3 353.796 3.485 20 10 FGCDHM CCC1(CC)CN(Cc2ccc(Br)cc2[O-])CC[S@@]1=O ZINC000825537250 729386964 /nfs/dbraw/zinc/38/69/64/729386964.db2.gz SZWLTRYWEWIOKI-FQEVSTJZSA-N -1 3 360.317 3.278 20 10 FGCDHM Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1Cl ZINC000825949070 729400549 /nfs/dbraw/zinc/40/05/49/729400549.db2.gz OVXPJCMTMCAYGB-LLVKDONJSA-N -1 3 364.795 3.245 20 10 FGCDHM Cc1cc([O-])c(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1Cl ZINC000825949070 729400550 /nfs/dbraw/zinc/40/05/50/729400550.db2.gz OVXPJCMTMCAYGB-LLVKDONJSA-N -1 3 364.795 3.245 20 10 FGCDHM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000840915091 730190961 /nfs/dbraw/zinc/19/09/61/730190961.db2.gz JULLGQFPOOXNBG-UHFFFAOYSA-N -1 3 363.435 3.053 20 10 FGCDHM CC[C@@H](NCc1nnn(C(C)(C)C)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000848561308 731181760 /nfs/dbraw/zinc/18/17/60/731181760.db2.gz VCEKUJCCJGIQQD-GFCCVEGCSA-N -1 3 357.380 3.393 20 10 FGCDHM Cn1nccc1[C@@H](O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000857061427 732099339 /nfs/dbraw/zinc/09/93/39/732099339.db2.gz QLCSJEBBAANJEL-KRWDZBQOSA-N -1 3 370.280 3.378 20 10 FGCDHM CN(Cc1csc(C(C)(C)O)n1)Cc1c([O-])cccc1Br ZINC000862386939 732821267 /nfs/dbraw/zinc/82/12/67/732821267.db2.gz DXQLJLCMFYOBHX-UHFFFAOYSA-N -1 3 371.300 3.471 20 10 FGCDHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000917917198 758285055 /nfs/dbraw/zinc/28/50/55/758285055.db2.gz XWKDUOBJWVRZRD-UHFFFAOYSA-N -1 3 354.422 3.290 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](c3nnc4ccccn43)C2)c1[O-] ZINC000079438205 494455146 /nfs/dbraw/zinc/45/51/46/494455146.db2.gz CEZNTZHZBRYFBS-CQSZACIVSA-N -1 3 368.412 3.156 20 10 FGCDHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc([O-])c(Cl)c1)C(=O)C2 ZINC000133697542 495048737 /nfs/dbraw/zinc/04/87/37/495048737.db2.gz WFUZBZYAZRRQGV-QLJPJBMISA-N -1 3 357.859 3.183 20 10 FGCDHM CC(=O)c1cc(F)cc(CN[C@@H](CN2CCCC2=O)c2ccccc2)c1[O-] ZINC000179569540 495643871 /nfs/dbraw/zinc/64/38/71/495643871.db2.gz ZBXUXZYPJFAVAH-IBGZPJMESA-N -1 3 370.424 3.187 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CCCOCC1 ZINC000181795159 496547592 /nfs/dbraw/zinc/54/75/92/496547592.db2.gz USASXUPXNYWIMD-CQSZACIVSA-N -1 3 371.275 3.255 20 10 FGCDHM C[C@H](NCc1nnc2n1CCCCC2)c1ccc(Br)cc1[O-] ZINC000184878270 496568815 /nfs/dbraw/zinc/56/88/15/496568815.db2.gz SMRKXVNOAFINHO-NSHDSACASA-N -1 3 365.275 3.323 20 10 FGCDHM C[C@@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(F)cc1[O-] ZINC000185131663 496674371 /nfs/dbraw/zinc/67/43/71/496674371.db2.gz PDJQNAPDNHOXTF-YJYMSZOUSA-N -1 3 358.413 3.500 20 10 FGCDHM C[C@@H](N[C@H](CN1CCOCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273387164 496791271 /nfs/dbraw/zinc/79/12/71/496791271.db2.gz JWPMHTVQOLFNIA-DNVCBOLYSA-N -1 3 371.437 3.025 20 10 FGCDHM COc1c([O-])c(CNc2cccc(N3CCCC3=O)c2)ccc1[N+](=O)[O-] ZINC000278257078 497053783 /nfs/dbraw/zinc/05/37/83/497053783.db2.gz PUSJMDAPUUZZFG-UHFFFAOYSA-N -1 3 357.366 3.048 20 10 FGCDHM O=S(=O)([N-]c1c(F)cc(Cl)cc1F)c1cccc2nsnc21 ZINC000192730072 497197858 /nfs/dbraw/zinc/19/78/58/497197858.db2.gz HGLZKALRTLMVPP-UHFFFAOYSA-N -1 3 361.782 3.424 20 10 FGCDHM COc1c([O-])c(CN[C@H](c2ccccc2)[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278938323 497273637 /nfs/dbraw/zinc/27/36/37/497273637.db2.gz XHSBPLONIMFVRX-IAGOWNOFSA-N -1 3 358.394 3.319 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1nccn1CC ZINC000279535960 497465902 /nfs/dbraw/zinc/46/59/02/497465902.db2.gz WJGPPYIMVCUZOV-UHFFFAOYSA-N -1 3 352.232 3.033 20 10 FGCDHM O=C(CC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1)N1CCCC1 ZINC000191256760 497759898 /nfs/dbraw/zinc/75/98/98/497759898.db2.gz QWYBEGZMPBWQLO-UHFFFAOYSA-N -1 3 354.853 3.409 20 10 FGCDHM Nc1nc(Cl)cc(N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000301209399 498000976 /nfs/dbraw/zinc/00/09/76/498000976.db2.gz SUKDBYMZDDYFAG-LBPRGKRZSA-N -1 3 368.268 3.148 20 10 FGCDHM CCOC(=O)c1cc(CNCc2cccc(Br)c2[O-])[nH]c1C ZINC000296714996 498166671 /nfs/dbraw/zinc/16/66/71/498166671.db2.gz IWHFKEHLHRYUIH-UHFFFAOYSA-N -1 3 367.243 3.258 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1[O-] ZINC000286711064 498483846 /nfs/dbraw/zinc/48/38/46/498483846.db2.gz WTAOSJYHLHFTBU-SMDDNHRTSA-N -1 3 365.779 3.241 20 10 FGCDHM C[C@H](NCc1ccncc1OC[C@H]1CCOC1)c1ccc(F)c(F)c1[O-] ZINC000287408578 498745281 /nfs/dbraw/zinc/74/52/81/498745281.db2.gz RHZXJWTVLCPFBE-STQMWFEESA-N -1 3 364.392 3.332 20 10 FGCDHM COc1ccc(N2CCC(N(C)C(=O)c3ccc(OC)cc3[O-])CC2)cc1 ZINC000363448901 498827057 /nfs/dbraw/zinc/82/70/57/498827057.db2.gz HUPSTOOPBZOQLR-UHFFFAOYSA-N -1 3 370.449 3.150 20 10 FGCDHM Cc1ccc(C(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)c([O-])c1O ZINC000367746030 499230493 /nfs/dbraw/zinc/23/04/93/499230493.db2.gz LANODVZMQAFSOX-UHFFFAOYSA-N -1 3 362.376 3.037 20 10 FGCDHM CCc1nc([C@H]2CCCN(Cc3cc(Cl)cc(OC)c3[O-])C2)no1 ZINC000368708853 499324297 /nfs/dbraw/zinc/32/42/97/499324297.db2.gz XXPQEUSEEJPLPZ-NSHDSACASA-N -1 3 351.834 3.379 20 10 FGCDHM Cc1cc(Cl)cc(CN2CCn3c(CC(F)(F)F)nnc3C2)c1[O-] ZINC000373260181 499460136 /nfs/dbraw/zinc/46/01/36/499460136.db2.gz KZCVBKFPPSTLIE-UHFFFAOYSA-N -1 3 360.767 3.066 20 10 FGCDHM CN1CCc2cc(CNC(=O)c3cc([O-])ccc3C(F)(F)F)ccc21 ZINC000373563973 499477204 /nfs/dbraw/zinc/47/72/04/499477204.db2.gz QXTCSDREHZDITO-UHFFFAOYSA-N -1 3 350.340 3.333 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H](c3nc(C4CC4)no3)C2)c1[O-] ZINC000375418845 499516501 /nfs/dbraw/zinc/51/65/01/499516501.db2.gz ZIAJFLJKHUCANW-JTQLQIEISA-N -1 3 364.789 3.204 20 10 FGCDHM Cn1c(Cl)cnc1CN1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000378441492 499517015 /nfs/dbraw/zinc/51/70/15/499517015.db2.gz GVNUFRLPRLGZPI-UHFFFAOYSA-N -1 3 369.296 3.140 20 10 FGCDHM CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000376212579 499591595 /nfs/dbraw/zinc/59/15/95/499591595.db2.gz UURUKNTWTWDQFT-HOTGVXAUSA-N -1 3 367.287 3.130 20 10 FGCDHM COCCc1noc(CC2CCN(Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000529639703 504750295 /nfs/dbraw/zinc/75/02/95/504750295.db2.gz JMMVHQZUWPBAHD-UHFFFAOYSA-N -1 3 365.861 3.072 20 10 FGCDHM CCN(Cc1ccc(F)cc1-c1nnn[n-]1)c1ccc(OC)c(OC)c1 ZINC000736557908 598681794 /nfs/dbraw/zinc/68/17/94/598681794.db2.gz DJEZJKNCHOKDJH-UHFFFAOYSA-N -1 3 357.389 3.050 20 10 FGCDHM CCN(Cc1ccc(F)cc1-c1nn[n-]n1)c1ccc(OC)c(OC)c1 ZINC000736557908 598681796 /nfs/dbraw/zinc/68/17/96/598681796.db2.gz DJEZJKNCHOKDJH-UHFFFAOYSA-N -1 3 357.389 3.050 20 10 FGCDHM CC[N@H+](Cc1ccoc1C(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000829718724 600856889 /nfs/dbraw/zinc/85/68/89/600856889.db2.gz PLGUQJOMUUKPGC-UHFFFAOYSA-N -1 3 354.200 3.468 20 10 FGCDHM CC[N@@H+](Cc1ccoc1C(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000829718724 600856892 /nfs/dbraw/zinc/85/68/92/600856892.db2.gz PLGUQJOMUUKPGC-UHFFFAOYSA-N -1 3 354.200 3.468 20 10 FGCDHM Cc1cc(C(=O)N2C[C@H](C)[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168449 606432308 /nfs/dbraw/zinc/43/23/08/606432308.db2.gz MUAMHSVTGMFHDI-STQMWFEESA-N -1 3 364.453 3.002 20 10 FGCDHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N2CCCCC2)cc1 ZINC000826187059 609482277 /nfs/dbraw/zinc/48/22/77/609482277.db2.gz YAXJXKCMKBSCEN-UHFFFAOYSA-N -1 3 364.453 3.478 20 10 FGCDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(N2CCCCC2)cc1 ZINC000826187059 609482278 /nfs/dbraw/zinc/48/22/78/609482278.db2.gz YAXJXKCMKBSCEN-UHFFFAOYSA-N -1 3 364.453 3.478 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCN(c2ccc(O)cc2)CC1 ZINC000157911178 705167179 /nfs/dbraw/zinc/16/71/79/705167179.db2.gz CMPCKRVDLMALIP-UHFFFAOYSA-N -1 3 363.255 3.183 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCCN(C(=O)C(C)C)CC2)c1 ZINC000781902277 724609831 /nfs/dbraw/zinc/60/98/31/724609831.db2.gz PTJILJHVRALOBZ-UHFFFAOYSA-N -1 3 369.303 3.153 20 10 FGCDHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000736289343 722522567 /nfs/dbraw/zinc/52/25/67/722522567.db2.gz PHYQMBBEJFIKHJ-OLZOCXBDSA-N -1 3 359.447 3.299 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCc2cc(Br)cc(F)c2C1 ZINC000790915841 723192854 /nfs/dbraw/zinc/19/28/54/723192854.db2.gz NRVHGIMXGMHMFP-UHFFFAOYSA-N -1 3 366.186 3.198 20 10 FGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccnc(OC2CCOCC2)c1 ZINC000790961436 723199748 /nfs/dbraw/zinc/19/97/48/723199748.db2.gz DBQZDVDRVKWVHF-UHFFFAOYSA-N -1 3 366.820 3.427 20 10 FGCDHM CCOC(=O)c1ncc(NC(=O)c2sccc2-n2c(C)ccc2C)[n-]1 ZINC000793963051 723479066 /nfs/dbraw/zinc/47/90/66/723479066.db2.gz DEKRWJXWFDQPIH-UHFFFAOYSA-N -1 3 358.423 3.308 20 10 FGCDHM CCOC(=O)c1nc(NC(=O)c2sccc2-n2c(C)ccc2C)c[n-]1 ZINC000793963051 723479067 /nfs/dbraw/zinc/47/90/67/723479067.db2.gz DEKRWJXWFDQPIH-UHFFFAOYSA-N -1 3 358.423 3.308 20 10 FGCDHM CN(C)[C@@H](C(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765727391 723535431 /nfs/dbraw/zinc/53/54/31/723535431.db2.gz NJVPGYOJNSQFFR-OAHLLOKOSA-N -1 3 363.255 3.074 20 10 FGCDHM Cc1ccc(C(=O)N2CCN(Cc3c([O-])cccc3Cl)CC2)s1 ZINC000768992916 723673874 /nfs/dbraw/zinc/67/38/74/723673874.db2.gz RDSQPVWWQRFBQH-UHFFFAOYSA-N -1 3 350.871 3.374 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000775148217 723964162 /nfs/dbraw/zinc/96/41/62/723964162.db2.gz ZJKDVTIVNQCAOO-GXFFZTMASA-N -1 3 368.193 3.290 20 10 FGCDHM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(C)cc(Br)c1[O-] ZINC000786580079 724989805 /nfs/dbraw/zinc/98/98/05/724989805.db2.gz XKIYUGJCAYNHKR-KYOSRNDESA-N -1 3 368.271 3.237 20 10 FGCDHM Cc1ccccc1-n1cc(CNCc2cccc(Br)c2[O-])nn1 ZINC000809654911 725256236 /nfs/dbraw/zinc/25/62/36/725256236.db2.gz UCJYUYOYXQUWIX-UHFFFAOYSA-N -1 3 373.254 3.334 20 10 FGCDHM COc1ccc(C(=O)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000809733942 725263601 /nfs/dbraw/zinc/26/36/01/725263601.db2.gz NSUNBQGHWWAMCC-UHFFFAOYSA-N -1 3 360.841 3.012 20 10 FGCDHM CC(C)OCc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1O ZINC000811704365 725377244 /nfs/dbraw/zinc/37/72/44/725377244.db2.gz DIHFXXWSQMGXKQ-UHFFFAOYSA-N -1 3 363.435 3.148 20 10 FGCDHM C[C@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])C[C@H](C)S1(=O)=O ZINC000811797072 725380477 /nfs/dbraw/zinc/38/04/77/725380477.db2.gz SSURPAKLGXIGIU-STQMWFEESA-N -1 3 359.447 3.299 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000816869064 727202038 /nfs/dbraw/zinc/20/20/38/727202038.db2.gz GPGXWSWHULZNMN-UHFFFAOYSA-N -1 3 351.324 3.431 20 10 FGCDHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000817356091 727242772 /nfs/dbraw/zinc/24/27/72/727242772.db2.gz DMZMVLDOBXISRC-AWEZNQCLSA-N -1 3 355.843 3.045 20 10 FGCDHM COC(=O)c1oc(CNCc2cccc(Br)c2[O-])cc1C ZINC000825710571 729392500 /nfs/dbraw/zinc/39/25/00/729392500.db2.gz UHQMJIJZZOTECD-UHFFFAOYSA-N -1 3 354.200 3.133 20 10 FGCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000825754081 729394080 /nfs/dbraw/zinc/39/40/80/729394080.db2.gz ZJWAQNJHHMZRMS-PBFPGSCMSA-N -1 3 370.287 3.313 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)c1nccc(N)n1 ZINC000846807437 730982526 /nfs/dbraw/zinc/98/25/26/730982526.db2.gz MLPPNRPTGWKCPP-JTQLQIEISA-N -1 3 351.248 3.110 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C)c1nccc(N)n1 ZINC000846807438 730982586 /nfs/dbraw/zinc/98/25/86/730982586.db2.gz MLPPNRPTGWKCPP-SNVBAGLBSA-N -1 3 351.248 3.110 20 10 FGCDHM COc1cccc(OC)c1CNCc1c([O-])cccc1Br ZINC000858188982 732190653 /nfs/dbraw/zinc/19/06/53/732190653.db2.gz XOBSAQIREIHFCE-UHFFFAOYSA-N -1 3 352.228 3.462 20 10 FGCDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@@H]2CCC[C@H]21 ZINC000859951080 732421655 /nfs/dbraw/zinc/42/16/55/732421655.db2.gz JIYPGYZJDAPWEA-ZMSDIMECSA-N -1 3 365.857 3.412 20 10 FGCDHM Cc1ccc([C@@H](NCc2cc(F)cc(F)c2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000894647930 742314145 /nfs/dbraw/zinc/31/41/45/742314145.db2.gz HESWCZXVWAOBEU-SJCJKPOMSA-N -1 3 369.433 3.243 20 10 FGCDHM C[C@](CO)(NCc1cc(F)cc(F)c1[O-])c1cccc(Br)c1 ZINC000898167994 742751812 /nfs/dbraw/zinc/75/18/12/742751812.db2.gz SVDKFJLOWFSFBG-MRXNPFEDSA-N -1 3 372.209 3.430 20 10 FGCDHM O=[N+]([O-])c1cc2c(cc1CNCc1cccc(Cl)c1[O-])OCCO2 ZINC000898219973 742761006 /nfs/dbraw/zinc/76/10/06/742761006.db2.gz QUKXYCVCBJDXIG-UHFFFAOYSA-N -1 3 350.758 3.015 20 10 FGCDHM COCCCOC1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000093561240 494900708 /nfs/dbraw/zinc/90/07/08/494900708.db2.gz OUKGEHGVCHPRSU-UHFFFAOYSA-N -1 3 358.276 3.172 20 10 FGCDHM CN(Cc1cccs1)C(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000096971041 495017777 /nfs/dbraw/zinc/01/77/77/495017777.db2.gz RPOKUMRFNGLDEA-KRWDZBQOSA-N -1 3 374.506 3.093 20 10 FGCDHM CN(Cc1cccs1)C(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000096971042 495017850 /nfs/dbraw/zinc/01/78/50/495017850.db2.gz RPOKUMRFNGLDEA-QGZVFWFLSA-N -1 3 374.506 3.093 20 10 FGCDHM Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2ccc(C)c(O)c2[O-])o1 ZINC000182480101 495579501 /nfs/dbraw/zinc/57/95/01/495579501.db2.gz BIADVKLVIIPUOY-INIZCTEOSA-N -1 3 365.389 3.037 20 10 FGCDHM Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c([O-])c1O ZINC000179466075 495602465 /nfs/dbraw/zinc/60/24/65/495602465.db2.gz HNDUSXGQTJOLFM-UHFFFAOYSA-N -1 3 354.406 3.203 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCN([C@@H](C)c3nccs3)CC2)c1[O-] ZINC000184634976 496474339 /nfs/dbraw/zinc/47/43/39/496474339.db2.gz QBTDEPFECJIRKS-LBPRGKRZSA-N -1 3 363.458 3.069 20 10 FGCDHM COc1cc(Cl)cc(CN2CCCN(C(=O)c3ccccc3)CC2)c1[O-] ZINC000184680451 496491460 /nfs/dbraw/zinc/49/14/60/496491460.db2.gz ACEAMEJDQJZUPV-UHFFFAOYSA-N -1 3 374.868 3.402 20 10 FGCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)c([O-])c1O ZINC000182264325 496723308 /nfs/dbraw/zinc/72/33/08/496723308.db2.gz BFQFXHHXAWZJNN-UHFFFAOYSA-N -1 3 354.406 3.203 20 10 FGCDHM C[C@@H](Cc1ccc(O)cc1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277328876 496737894 /nfs/dbraw/zinc/73/78/94/496737894.db2.gz MLLOZELZKYQWQH-LBPRGKRZSA-N -1 3 374.824 3.147 20 10 FGCDHM Cc1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)s1 ZINC000277345565 496743544 /nfs/dbraw/zinc/74/35/44/496743544.db2.gz LTMFUDXTIDUYHP-UHFFFAOYSA-N -1 3 350.827 3.380 20 10 FGCDHM COCCOc1ccccc1CN[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273302983 496768337 /nfs/dbraw/zinc/76/83/37/496768337.db2.gz BYKFVSDPGGCNQM-CQSZACIVSA-N -1 3 359.422 3.055 20 10 FGCDHM COC(=O)[C@@H](C)Cc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278521287 497141445 /nfs/dbraw/zinc/14/14/45/497141445.db2.gz SBIOFGAKQNHDNZ-LBPRGKRZSA-N -1 3 374.393 3.273 20 10 FGCDHM COc1c([O-])c(CN[C@H](C)c2cn(C(C)(C)C)nc2C)ccc1[N+](=O)[O-] ZINC000278548550 497151545 /nfs/dbraw/zinc/15/15/45/497151545.db2.gz YQNHVWYJBOQIKK-LLVKDONJSA-N -1 3 362.430 3.420 20 10 FGCDHM O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cccc(O)c1[O-] ZINC000193000047 497270871 /nfs/dbraw/zinc/27/08/71/497270871.db2.gz UMBFIRRFCLXLNH-UHFFFAOYSA-N -1 3 352.312 3.228 20 10 FGCDHM C[C@H]1c2nncn2CCN1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000276801870 497658017 /nfs/dbraw/zinc/65/80/17/497658017.db2.gz MSFATGJNJASXOZ-HNNXBMFYSA-N -1 3 350.422 3.140 20 10 FGCDHM Cc1cnc([C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)s1 ZINC000277149560 497757689 /nfs/dbraw/zinc/75/76/89/497757689.db2.gz AUZZSMXHYRIDQJ-SNVBAGLBSA-N -1 3 365.842 3.336 20 10 FGCDHM COc1cc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])cc(OC)c1OC ZINC000364829291 498163493 /nfs/dbraw/zinc/16/34/93/498163493.db2.gz JBEAWYFWYGQHME-AWEZNQCLSA-N -1 3 373.405 3.101 20 10 FGCDHM O=C(Nc1cccnc1)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000365267431 498380461 /nfs/dbraw/zinc/38/04/61/498380461.db2.gz XFRWKAGXXHTMSR-UHFFFAOYSA-N -1 3 363.820 3.430 20 10 FGCDHM COc1c([O-])c(CN[C@@H]2CCCOc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC000365322264 498404205 /nfs/dbraw/zinc/40/42/05/498404205.db2.gz JAVACOKOSWZXQQ-CQSZACIVSA-N -1 3 362.357 3.452 20 10 FGCDHM CCOCc1nc([C@H](C)N[C@H](C)c2cc(Br)ccc2[O-])no1 ZINC000290051103 498407931 /nfs/dbraw/zinc/40/79/31/498407931.db2.gz FBMSIULVILMUGL-ZJUUUORDSA-N -1 3 370.247 3.486 20 10 FGCDHM COc1c([O-])c(CN(C)[C@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000295137252 498923020 /nfs/dbraw/zinc/92/30/20/498923020.db2.gz YZXZPBXCULILLW-OAHLLOKOSA-N -1 3 366.801 3.128 20 10 FGCDHM CC(C)N1CCN([C@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000371335995 499312705 /nfs/dbraw/zinc/31/27/05/499312705.db2.gz MYNKVAMMJCZOPK-INIZCTEOSA-N -1 3 372.340 3.299 20 10 FGCDHM [O-]c1ccccc1CN(Cc1nc(-c2ccccn2)no1)C[C@@H]1CCCO1 ZINC000371672566 499353405 /nfs/dbraw/zinc/35/34/05/499353405.db2.gz XAVRILWBLIXJST-INIZCTEOSA-N -1 3 366.421 3.018 20 10 FGCDHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C)c(O)c3O)c2)n1 ZINC000378559838 499531646 /nfs/dbraw/zinc/53/16/46/499531646.db2.gz QWTPSHLZMFPPNS-UHFFFAOYSA-N -1 3 351.362 3.130 20 10 FGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000375694540 499545975 /nfs/dbraw/zinc/54/59/75/499545975.db2.gz VZUUWXYXTNYYEU-OAHLLOKOSA-N -1 3 356.253 3.368 20 10 FGCDHM CC[C@@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(F)cc1[O-] ZINC000375803671 499557235 /nfs/dbraw/zinc/55/72/35/499557235.db2.gz DVPZIPGFBWICJG-IAGOWNOFSA-N -1 3 358.413 3.212 20 10 FGCDHM CN1CCN([C@H]2CCCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000377698026 499721684 /nfs/dbraw/zinc/72/16/84/499721684.db2.gz PGFUDXHMCUCYDX-INIZCTEOSA-N -1 3 372.340 3.301 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CC3(CCOCC3)CC[C@H]2CO)c1[O-] ZINC000528639971 504305992 /nfs/dbraw/zinc/30/59/92/504305992.db2.gz MSQJXULLECJLKM-INIZCTEOSA-N -1 3 367.873 3.002 20 10 FGCDHM COC[C@]1(NCc2cc(Cl)cc(F)c2[O-])COc2ccccc2C1 ZINC000529667711 504756374 /nfs/dbraw/zinc/75/63/74/504756374.db2.gz CNRRRNLIWMDAPT-SFHVURJKSA-N -1 3 351.805 3.295 20 10 FGCDHM Cc1cc(C(=O)N2CCC[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234594 598609806 /nfs/dbraw/zinc/60/98/06/598609806.db2.gz NSVZJSXDHVPSDH-CYBMUJFWSA-N -1 3 364.453 3.146 20 10 FGCDHM COc1ccc(N2CCCN(Cc3ccc(C(=O)[O-])c(F)c3)CC2)cc1 ZINC000832383764 601621226 /nfs/dbraw/zinc/62/12/26/601621226.db2.gz MIPVBQBZSQZSMG-UHFFFAOYSA-N -1 3 358.413 3.245 20 10 FGCDHM C[C@@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@H]1C(=O)[O-] ZINC000828457103 601814176 /nfs/dbraw/zinc/81/41/76/601814176.db2.gz RHEWIBJGLCZQKU-QMTHXVAHSA-N -1 3 364.239 3.460 20 10 FGCDHM C[C@@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@H]1C(=O)[O-] ZINC000828457103 601814178 /nfs/dbraw/zinc/81/41/78/601814178.db2.gz RHEWIBJGLCZQKU-QMTHXVAHSA-N -1 3 364.239 3.460 20 10 FGCDHM CC(C)(C)c1cnc(SCC(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000819965872 607120252 /nfs/dbraw/zinc/12/02/52/607120252.db2.gz QLESQKCDGSLAPC-UHFFFAOYSA-N -1 3 374.495 3.352 20 10 FGCDHM CC(C)(C)c1cnc(SCC(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000819965872 607120254 /nfs/dbraw/zinc/12/02/54/607120254.db2.gz QLESQKCDGSLAPC-UHFFFAOYSA-N -1 3 374.495 3.352 20 10 FGCDHM Cc1c(Cl)cnc(NCCCSc2nccs2)c1-c1nnn[n-]1 ZINC000826239812 609553266 /nfs/dbraw/zinc/55/32/66/609553266.db2.gz QRJCNQHWLYRXPF-UHFFFAOYSA-N -1 3 367.891 3.274 20 10 FGCDHM Cc1c(Cl)cnc(NCCCSc2nccs2)c1-c1nn[n-]n1 ZINC000826239812 609553268 /nfs/dbraw/zinc/55/32/68/609553268.db2.gz QRJCNQHWLYRXPF-UHFFFAOYSA-N -1 3 367.891 3.274 20 10 FGCDHM Cc1noc(C)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134260806 704817923 /nfs/dbraw/zinc/81/79/23/704817923.db2.gz VEAGTLILHZKEOU-HNNXBMFYSA-N -1 3 363.845 3.045 20 10 FGCDHM CC(=O)c1cc(F)cc(CN(C)CC(=O)Nc2cccc(Cl)c2)c1[O-] ZINC000177253860 705615339 /nfs/dbraw/zinc/61/53/39/705615339.db2.gz DZVHQDFLGARLID-UHFFFAOYSA-N -1 3 364.804 3.458 20 10 FGCDHM Cc1ccc(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)c([O-])c1O ZINC000179501991 705703504 /nfs/dbraw/zinc/70/35/04/705703504.db2.gz QVILTXZRHAKIKO-QHCPKHFHSA-N -1 3 353.827 3.190 20 10 FGCDHM O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1cccc(O)c1[O-] ZINC000803654552 724457662 /nfs/dbraw/zinc/45/76/62/724457662.db2.gz KHCJESZZKJLOFT-CQSZACIVSA-N -1 3 363.211 3.136 20 10 FGCDHM Cc1noc(C2(C)CCN(Cc3cccc(Br)c3[O-])CC2)n1 ZINC000781529081 724572483 /nfs/dbraw/zinc/57/24/83/724572483.db2.gz JRATUVFGVVHZSR-UHFFFAOYSA-N -1 3 366.259 3.400 20 10 FGCDHM COC(=O)CN(Cc1ccc(OC)c(F)c1)Cc1cc(Cl)ccc1[O-] ZINC000731845199 722478512 /nfs/dbraw/zinc/47/85/12/722478512.db2.gz RNYCZZOEACHJFA-UHFFFAOYSA-N -1 3 367.804 3.369 20 10 FGCDHM COC(=O)CN(Cc1ccc(F)c(F)c1)Cc1cc(Cl)ccc1[O-] ZINC000732203313 722482328 /nfs/dbraw/zinc/48/23/28/722482328.db2.gz WTAVHKUVLRWDTR-UHFFFAOYSA-N -1 3 355.768 3.499 20 10 FGCDHM CCCCCS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000759048530 722998627 /nfs/dbraw/zinc/99/86/27/722998627.db2.gz KASJTBDXQAMORZ-MRXNPFEDSA-N -1 3 374.934 3.120 20 10 FGCDHM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cccc(O)c1[O-] ZINC000789882417 723081321 /nfs/dbraw/zinc/08/13/21/723081321.db2.gz IMRZMQFKMPTTMB-LLVKDONJSA-N -1 3 367.232 3.413 20 10 FGCDHM O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cccc(O)c1[O-] ZINC000789882419 723081474 /nfs/dbraw/zinc/08/14/74/723081474.db2.gz IMRZMQFKMPTTMB-NSHDSACASA-N -1 3 367.232 3.413 20 10 FGCDHM Cc1cc(Br)c2c(c1)CN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000790946980 723197669 /nfs/dbraw/zinc/19/76/69/723197669.db2.gz WIWOOCMYDFQWSE-UHFFFAOYSA-N -1 3 362.223 3.367 20 10 FGCDHM [O-]c1ccc(Br)cc1CN(CCO)Cc1cccnc1Cl ZINC000793364904 723430426 /nfs/dbraw/zinc/43/04/26/723430426.db2.gz VAPHBLBPZHRNKJ-UHFFFAOYSA-N -1 3 371.662 3.198 20 10 FGCDHM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1ccc2c(c1)CCCO2 ZINC000771608149 723738955 /nfs/dbraw/zinc/73/89/55/723738955.db2.gz RKKIMCJUPZZXTR-UHFFFAOYSA-N -1 3 358.463 3.413 20 10 FGCDHM COc1c([O-])c(CNCc2sccc2Br)ccc1[N+](=O)[O-] ZINC000775012809 723952043 /nfs/dbraw/zinc/95/20/43/723952043.db2.gz IOKHTWHWOYMSBW-UHFFFAOYSA-N -1 3 373.228 3.423 20 10 FGCDHM Cc1ccc(C)n1-c1ccsc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000775914334 724082777 /nfs/dbraw/zinc/08/27/77/724082777.db2.gz UABSUJLWJXMTOD-UHFFFAOYSA-N -1 3 369.372 3.223 20 10 FGCDHM CC[C@H](NCc1nnnn1CC1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237122 725298841 /nfs/dbraw/zinc/29/88/41/725298841.db2.gz PVYFVKYKUHEFOF-ZDUSSCGKSA-N -1 3 355.364 3.048 20 10 FGCDHM CC(C)CC1(C)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000811532409 725372923 /nfs/dbraw/zinc/37/29/23/725372923.db2.gz VRSFEIPWJQKZQT-UHFFFAOYSA-N -1 3 368.499 3.052 20 10 FGCDHM CCC(CC)C(=O)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824561189 729347500 /nfs/dbraw/zinc/34/75/00/729347500.db2.gz SGQBBIOPPXGYNK-UHFFFAOYSA-N -1 3 369.303 3.235 20 10 FGCDHM Cc1cc([O-])c(CN2CCS(=O)(=O)c3ccccc3C2)c(Cl)c1 ZINC000840939307 730194298 /nfs/dbraw/zinc/19/42/98/730194298.db2.gz VXYWJXFAPSLMQJ-UHFFFAOYSA-N -1 3 351.855 3.144 20 10 FGCDHM CC[C@@H](NCc1nnn(C(C)(C)C)n1)c1cc(Br)ccc1[O-] ZINC000848560848 731181921 /nfs/dbraw/zinc/18/19/21/731181921.db2.gz MDRSVRSYFPDFID-GFCCVEGCSA-N -1 3 368.279 3.137 20 10 FGCDHM C[C@H](CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCC1 ZINC000863046962 732909675 /nfs/dbraw/zinc/90/96/75/732909675.db2.gz SEGMCFPOAFBORI-CYBMUJFWSA-N -1 3 368.499 3.052 20 10 FGCDHM CC(C)c1nnc([C@@H](C)NCc2cc(Br)cc(F)c2[O-])[nH]1 ZINC000883077944 737519243 /nfs/dbraw/zinc/51/92/43/737519243.db2.gz BSIQOBXNJUANIJ-MRVPVSSYSA-N -1 3 357.227 3.386 20 10 FGCDHM CC(C)c1nc([C@@H](C)NCc2cc(Br)cc(F)c2[O-])n[nH]1 ZINC000883077944 737519247 /nfs/dbraw/zinc/51/92/47/737519247.db2.gz BSIQOBXNJUANIJ-MRVPVSSYSA-N -1 3 357.227 3.386 20 10 FGCDHM CCN(Cc1nnc(OC)s1)Cc1cc(Br)ccc1[O-] ZINC000929756152 760450090 /nfs/dbraw/zinc/45/00/90/760450090.db2.gz WAOBAZDQCPPCNY-UHFFFAOYSA-N -1 3 358.261 3.037 20 10 FGCDHM O=C(NCc1c([O-])cccc1F)Nc1nc(C2CCOCC2)cs1 ZINC000931405187 760854848 /nfs/dbraw/zinc/85/48/48/760854848.db2.gz GJISCOGLHOKMMA-UHFFFAOYSA-N -1 3 351.403 3.204 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(OC[C@@H]3CCOC3)CC2)c1[O-] ZINC000132019532 494801127 /nfs/dbraw/zinc/80/11/27/494801127.db2.gz REUDSIFJJZIJLF-CQSZACIVSA-N -1 3 367.873 3.266 20 10 FGCDHM C[C@@H](NC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1)c1cccs1 ZINC000096971112 495017515 /nfs/dbraw/zinc/01/75/15/495017515.db2.gz SDSMBTQPYICTDR-WBVHZDCISA-N -1 3 374.506 3.312 20 10 FGCDHM CCCCNC(=O)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000179329421 495544945 /nfs/dbraw/zinc/54/49/45/495544945.db2.gz IATQIRZVRWQJDN-UHFFFAOYSA-N -1 3 369.303 3.283 20 10 FGCDHM COc1cc(Cl)cc(CN2CCn3c(nnc3-c3ccccc3)C2)c1[O-] ZINC000184701346 496498871 /nfs/dbraw/zinc/49/88/71/496498871.db2.gz WAVBKDATHTWENF-UHFFFAOYSA-N -1 3 370.840 3.329 20 10 FGCDHM C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000184964560 496601938 /nfs/dbraw/zinc/60/19/38/496601938.db2.gz FMWKWJOKSLRLSB-LBPRGKRZSA-N -1 3 368.886 3.147 20 10 FGCDHM C[C@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(F)cc1[O-] ZINC000185131646 496674355 /nfs/dbraw/zinc/67/43/55/496674355.db2.gz PDJQNAPDNHOXTF-DJJJIMSYSA-N -1 3 358.413 3.500 20 10 FGCDHM COCCC1(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCC1 ZINC000277374320 496752905 /nfs/dbraw/zinc/75/29/05/496752905.db2.gz CKGKIXJTKWRVJJ-UHFFFAOYSA-N -1 3 366.845 3.017 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cccc(N3CCCC3=O)c2)c1 ZINC000273296519 496767051 /nfs/dbraw/zinc/76/70/51/496767051.db2.gz AEWCPIBMSDZWJQ-AWEZNQCLSA-N -1 3 368.433 3.156 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000273381554 496790539 /nfs/dbraw/zinc/79/05/39/496790539.db2.gz CDYFGJZTMLMVRY-GFCCVEGCSA-N -1 3 354.406 3.244 20 10 FGCDHM CCCNC(=O)c1cccc(CN[C@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000273398384 496794956 /nfs/dbraw/zinc/79/49/56/496794956.db2.gz MNBVLNTXVIMMES-CQSZACIVSA-N -1 3 370.449 3.169 20 10 FGCDHM Cc1ccsc1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277550822 496809319 /nfs/dbraw/zinc/80/93/19/496809319.db2.gz WNGNWGKKIYUZOH-UHFFFAOYSA-N -1 3 350.827 3.380 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(OC)c(OC)c2OC)c1 ZINC000273460446 496812752 /nfs/dbraw/zinc/81/27/52/496812752.db2.gz IASBIKGHPLTDQC-NSHDSACASA-N -1 3 361.394 3.378 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cccc3c2OCCCO3)c1 ZINC000273545370 496835535 /nfs/dbraw/zinc/83/55/35/496835535.db2.gz ZEVXGWFSJJTPIE-ZDUSSCGKSA-N -1 3 357.406 3.191 20 10 FGCDHM COc1c([O-])c(CN2CCC([C@@H](O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278312381 497071263 /nfs/dbraw/zinc/07/12/63/497071263.db2.gz XDHWRODDFDPKHM-SFHVURJKSA-N -1 3 372.421 3.255 20 10 FGCDHM COCCOc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c(C)c1 ZINC000278622520 497170279 /nfs/dbraw/zinc/17/02/79/497170279.db2.gz GBJXZXYYAUQDIM-UHFFFAOYSA-N -1 3 362.382 3.255 20 10 FGCDHM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cccc(O)c1[O-] ZINC000192988658 497268198 /nfs/dbraw/zinc/26/81/98/497268198.db2.gz OUGDMMPTSXPCHX-UHFFFAOYSA-N -1 3 369.396 3.332 20 10 FGCDHM COC(=O)c1nc([C@H]2CCCN2Cc2cc(F)ccc2[O-])sc1C ZINC000279705352 497515686 /nfs/dbraw/zinc/51/56/86/497515686.db2.gz RTDRJVVGAVPWTJ-CYBMUJFWSA-N -1 3 350.415 3.420 20 10 FGCDHM C[C@H](NCc1ncccc1N(C)C)c1cc(Br)ccc1[O-] ZINC000289570199 498198873 /nfs/dbraw/zinc/19/88/73/498198873.db2.gz AXBHAJRNWDESHQ-NSHDSACASA-N -1 3 350.260 3.467 20 10 FGCDHM Cc1cc(Br)cc(CNCc2nccc(C(F)F)n2)c1[O-] ZINC000290273800 498491549 /nfs/dbraw/zinc/49/15/49/498491549.db2.gz YGOAZLPUKOOOGN-UHFFFAOYSA-N -1 3 358.186 3.481 20 10 FGCDHM C[C@@H](NCc1ncnn1C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000282461767 498521867 /nfs/dbraw/zinc/52/18/67/498521867.db2.gz FZPOMLSZUONXTC-SNVBAGLBSA-N -1 3 353.264 3.352 20 10 FGCDHM Cc1cc(C(=O)NCC(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235064 598612050 /nfs/dbraw/zinc/61/20/50/598612050.db2.gz QHDQBACBVRERTE-UHFFFAOYSA-N -1 3 352.442 3.050 20 10 FGCDHM Cc1cc(C(=O)N[C@H]2CC=CCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233365 599391325 /nfs/dbraw/zinc/39/13/25/599391325.db2.gz BTOFBSPXAPPRPN-INIZCTEOSA-N -1 3 362.437 3.113 20 10 FGCDHM CCN(CC)c1ccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000821197066 599481914 /nfs/dbraw/zinc/48/19/14/599481914.db2.gz FPGSKCLJALDXGG-UHFFFAOYSA-N -1 3 373.464 3.295 20 10 FGCDHM CCN(CC)c1ccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000821197066 599481917 /nfs/dbraw/zinc/48/19/17/599481917.db2.gz FPGSKCLJALDXGG-UHFFFAOYSA-N -1 3 373.464 3.295 20 10 FGCDHM COc1ccc(N2CCCN(Cc3ccc(F)cc3C(=O)[O-])CC2)cc1 ZINC000738020459 600087355 /nfs/dbraw/zinc/08/73/55/600087355.db2.gz FEEMOSPIGSUJGO-UHFFFAOYSA-N -1 3 358.413 3.245 20 10 FGCDHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000826276503 608287261 /nfs/dbraw/zinc/28/72/61/608287261.db2.gz JGAIPSDKAPJZBP-UHFFFAOYSA-N -1 3 363.469 3.419 20 10 FGCDHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000826276503 608287262 /nfs/dbraw/zinc/28/72/62/608287262.db2.gz JGAIPSDKAPJZBP-UHFFFAOYSA-N -1 3 363.469 3.419 20 10 FGCDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000091920901 700428524 /nfs/dbraw/zinc/42/85/24/700428524.db2.gz UNPIOSLWHJSJAW-ZBFHGGJFSA-N -1 3 353.871 3.432 20 10 FGCDHM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000124949219 700727467 /nfs/dbraw/zinc/72/74/67/700727467.db2.gz YOBJJHBCCFZBTH-UHFFFAOYSA-N -1 3 366.233 3.465 20 10 FGCDHM COc1ccc(CN(CCO)Cc2c([O-])cccc2Cl)c(OC)c1 ZINC000125397153 700735588 /nfs/dbraw/zinc/73/55/88/700735588.db2.gz HKFXGVXPCULFFR-UHFFFAOYSA-N -1 3 351.830 3.057 20 10 FGCDHM COC(=O)CN(Cc1ccncc1Cl)Cc1cc(Cl)ccc1[O-] ZINC000174854718 705523148 /nfs/dbraw/zinc/52/31/48/705523148.db2.gz BZCUUQPUQCLCHR-UHFFFAOYSA-N -1 3 355.221 3.269 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2ccc(-n3cnnn3)cc2)c1 ZINC000802636826 724392659 /nfs/dbraw/zinc/39/26/59/724392659.db2.gz JQJVESCCCHHAQI-UHFFFAOYSA-N -1 3 360.215 3.051 20 10 FGCDHM COC(=O)[C@@H](NCc1cc(Br)ccc1[O-])c1ccccc1F ZINC000779177531 724398137 /nfs/dbraw/zinc/39/81/37/724398137.db2.gz FAWBBCHNCASARP-HNNXBMFYSA-N -1 3 368.202 3.298 20 10 FGCDHM [O-]c1cccc(Br)c1CN1CCO[C@H](CC(F)(F)F)C1 ZINC000707161857 722412226 /nfs/dbraw/zinc/41/22/26/722412226.db2.gz VBCALIYSZOJIGA-SECBINFHSA-N -1 3 354.166 3.308 20 10 FGCDHM CCc1nnc([C@H](C)N[C@@H](C)c2cc(Br)cc(F)c2[O-])[nH]1 ZINC000756779620 722969960 /nfs/dbraw/zinc/96/99/60/722969960.db2.gz UMAPRFOGSQOILZ-YUMQZZPRSA-N -1 3 357.227 3.386 20 10 FGCDHM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2F)cc1OC ZINC000790346435 723129710 /nfs/dbraw/zinc/12/97/10/723129710.db2.gz NPRQTQJEGFDLNR-UHFFFAOYSA-N -1 3 361.778 3.003 20 10 FGCDHM O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cccc(O)c1[O-] ZINC000790496568 723146078 /nfs/dbraw/zinc/14/60/78/723146078.db2.gz GLVVERUYGYYBMH-UHFFFAOYSA-N -1 3 354.387 3.409 20 10 FGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)c1c(Cl)cccc1Cl ZINC000790919553 723193199 /nfs/dbraw/zinc/19/31/99/723193199.db2.gz QDOMAOLTIBXFMA-RTHLEPHNSA-N -1 3 356.205 3.257 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)OC3(CCOCC3)C2)c1 ZINC000790932450 723195551 /nfs/dbraw/zinc/19/55/51/723195551.db2.gz QDMJNDPQXLEHJJ-CYBMUJFWSA-N -1 3 370.287 3.233 20 10 FGCDHM C[C@@H]1CCN(Cc2cc3oc4ccccc4c3cc2[O-])CCS1(=O)=O ZINC000762109462 723215602 /nfs/dbraw/zinc/21/56/02/723215602.db2.gz YTCIEGHQLWHTEW-CYBMUJFWSA-N -1 3 359.447 3.301 20 10 FGCDHM C[C@H]1CCS(=O)(=O)CCN1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000762128621 723217499 /nfs/dbraw/zinc/21/74/99/723217499.db2.gz ZSXLQXYRZNTDLL-ZDUSSCGKSA-N -1 3 359.447 3.301 20 10 FGCDHM Cc1n[nH]cc1C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000793612665 723455284 /nfs/dbraw/zinc/45/52/84/723455284.db2.gz VCBJPKXEXGNRJZ-UHFFFAOYSA-N -1 3 350.806 3.365 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000796032111 723618149 /nfs/dbraw/zinc/61/81/49/723618149.db2.gz NWCBSXYLYMOXSY-GUYCJALGSA-N -1 3 370.287 3.233 20 10 FGCDHM O=C(c1ccc(F)c(F)c1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768333723 723654309 /nfs/dbraw/zinc/65/43/09/723654309.db2.gz HVYZYNQUECUBEI-UHFFFAOYSA-N -1 3 366.795 3.282 20 10 FGCDHM O=C1CCCCN1[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000769340650 723682901 /nfs/dbraw/zinc/68/29/01/723682901.db2.gz CNGRUFVNOGFARM-CQSZACIVSA-N -1 3 367.287 3.132 20 10 FGCDHM Cc1cc(N(C)C)ccc1C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000777999840 724281621 /nfs/dbraw/zinc/28/16/21/724281621.db2.gz IPPRWSAJHIUAAU-UHFFFAOYSA-N -1 3 374.293 3.241 20 10 FGCDHM Cc1c(NCc2c([O-])cccc2Cl)cccc1N1C(=O)N[C@H](C)C1=O ZINC000808445883 725201622 /nfs/dbraw/zinc/20/16/22/725201622.db2.gz CUBDISHGUIYTOF-LLVKDONJSA-N -1 3 359.813 3.411 20 10 FGCDHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000810207718 725296739 /nfs/dbraw/zinc/29/67/39/725296739.db2.gz NOQBDWSMQHFHMK-CYBMUJFWSA-N -1 3 360.841 3.373 20 10 FGCDHM COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(C)cc2F)c1 ZINC000819876134 728948971 /nfs/dbraw/zinc/94/89/71/728948971.db2.gz POPYYWKFOFLWDX-SNVBAGLBSA-N -1 3 357.378 3.027 20 10 FGCDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])C2)nc1 ZINC000816513909 727170054 /nfs/dbraw/zinc/17/00/54/727170054.db2.gz GMIDTTOIXDYSSD-NSHDSACASA-N -1 3 366.780 3.174 20 10 FGCDHM O=C1CCCCN1CC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816514108 727170227 /nfs/dbraw/zinc/17/02/27/727170227.db2.gz MQEYBOYNCCAWLH-UHFFFAOYSA-N -1 3 354.853 3.409 20 10 FGCDHM O=C(NC1(Cc2ccccc2Br)CC1)c1cccc(O)c1[O-] ZINC000817042462 727215897 /nfs/dbraw/zinc/21/58/97/727215897.db2.gz GVRIKYJLMORKES-UHFFFAOYSA-N -1 3 362.223 3.365 20 10 FGCDHM Cc1cc([O-])c(CN[C@H]2CS(=O)(=O)Cc3ccccc32)cc1Cl ZINC000857058945 732098741 /nfs/dbraw/zinc/09/87/41/732098741.db2.gz VTANFNUDKYNJAU-INIZCTEOSA-N -1 3 351.855 3.113 20 10 FGCDHM C[C@@H](CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCC1 ZINC000863046963 732909755 /nfs/dbraw/zinc/90/97/55/732909755.db2.gz SEGMCFPOAFBORI-ZDUSSCGKSA-N -1 3 368.499 3.052 20 10 FGCDHM O=C1N[C@H](c2ccc(Br)cc2[O-])Nc2cc(F)c(F)cc21 ZINC000877859904 736736968 /nfs/dbraw/zinc/73/69/68/736736968.db2.gz IQGHQDZTJQHFEI-CYBMUJFWSA-N -1 3 355.138 3.287 20 10 FGCDHM CCCNC(=O)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893920801 742213871 /nfs/dbraw/zinc/21/38/71/742213871.db2.gz YFVCLCVJLQBDQJ-UHFFFAOYSA-N -1 3 373.266 3.032 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1cccn1C ZINC000074923428 494649509 /nfs/dbraw/zinc/64/95/09/494649509.db2.gz SNDPZRDBFWHCJR-UHFFFAOYSA-N -1 3 366.259 3.225 20 10 FGCDHM CCCOc1ccc(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)c([O-])c1 ZINC000092040463 494766618 /nfs/dbraw/zinc/76/66/18/494766618.db2.gz GXECRCHMWFGKQJ-LPHOPBHVSA-N -1 3 361.438 3.099 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(N3CCCCC3=O)CC2)c1[O-] ZINC000120147110 495316146 /nfs/dbraw/zinc/31/61/46/495316146.db2.gz KWXPPHPQWWHEIX-UHFFFAOYSA-N -1 3 364.873 3.225 20 10 FGCDHM CC(=O)c1cc(F)cc(CN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1[O-] ZINC000185447402 495580559 /nfs/dbraw/zinc/58/05/59/495580559.db2.gz JXPZMTAUENAOLL-LJQANCHMSA-N -1 3 371.387 3.486 20 10 FGCDHM CN(Cc1cc(F)ccc1[O-])[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000180285233 495936062 /nfs/dbraw/zinc/93/60/62/495936062.db2.gz WOVFEKFYKZGTEM-AWEZNQCLSA-N -1 3 355.818 3.145 20 10 FGCDHM C[S@](=O)C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000182107608 496671536 /nfs/dbraw/zinc/67/15/36/496671536.db2.gz WDYWXXBQESBHDO-BSEYFRJRSA-N -1 3 368.842 3.163 20 10 FGCDHM C[C@H](NCc1cnc(N2CCOCC2)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000185279162 496723169 /nfs/dbraw/zinc/72/31/69/496723169.db2.gz AXUCSXNTEUWWDS-LBPRGKRZSA-N -1 3 365.836 3.267 20 10 FGCDHM C[C@]1(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCCS1 ZINC000277333552 496738742 /nfs/dbraw/zinc/73/87/42/496738742.db2.gz YPXOQXKWCVUAOH-MRXNPFEDSA-N -1 3 354.859 3.096 20 10 FGCDHM C[C@H](NCc1ccc(N2CCCC2=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273364670 496784546 /nfs/dbraw/zinc/78/45/46/496784546.db2.gz DQBRNJIPYQNXPK-ZDUSSCGKSA-N -1 3 355.394 3.278 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccnc(N3CCCCC3)c2)c1 ZINC000273375797 496787677 /nfs/dbraw/zinc/78/76/77/496787677.db2.gz HDQDNWFSDCKDBU-OAHLLOKOSA-N -1 3 369.465 3.415 20 10 FGCDHM C[C@@H](NCc1cccnc1OCC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273398520 496794694 /nfs/dbraw/zinc/79/46/94/496794694.db2.gz MQOUYGCLIKIAGH-SNVBAGLBSA-N -1 3 371.315 3.487 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(NC(=O)[C@@H](C)OC)c2)c1 ZINC000273480103 496818388 /nfs/dbraw/zinc/81/83/88/496818388.db2.gz LWCOPGWOTWWSAI-CHWSQXEVSA-N -1 3 372.421 3.325 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2CCOc3ccc(OC)cc32)c1 ZINC000274367219 497080535 /nfs/dbraw/zinc/08/05/35/497080535.db2.gz JVEWSWAYKKGDOW-PXAZEXFGSA-N -1 3 357.406 3.362 20 10 FGCDHM Cn1cc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)c(C(F)F)n1 ZINC000274524858 497118029 /nfs/dbraw/zinc/11/80/29/497118029.db2.gz ZKFBPGJANIIOEK-OAHLLOKOSA-N -1 3 351.397 3.245 20 10 FGCDHM COc1c([O-])c(CN2CCCc3c(NC(C)=O)cccc32)ccc1[N+](=O)[O-] ZINC000278531870 497145566 /nfs/dbraw/zinc/14/55/66/497145566.db2.gz VHBVQEPNNYCLBD-UHFFFAOYSA-N -1 3 371.393 3.220 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCC[C@@H](C)CO ZINC000270593162 497156908 /nfs/dbraw/zinc/15/69/08/497156908.db2.gz YIZXAKADEWZYJI-GFCCVEGCSA-N -1 3 373.291 3.095 20 10 FGCDHM COc1c([O-])c(CNCc2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000278866590 497247214 /nfs/dbraw/zinc/24/72/14/497247214.db2.gz MMLNMSVKGCIASN-UHFFFAOYSA-N -1 3 354.309 3.200 20 10 FGCDHM COc1c([O-])c(CNc2ccc(N3CCOC[C@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000278950247 497278297 /nfs/dbraw/zinc/27/82/97/497278297.db2.gz ZHJIOUUQAMVBGW-CYBMUJFWSA-N -1 3 373.409 3.146 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cnn(C3CCOCC3)c2C)c1 ZINC000297252543 498377565 /nfs/dbraw/zinc/37/75/65/498377565.db2.gz JKTWNQXGCYBJPB-GFCCVEGCSA-N -1 3 359.426 3.208 20 10 FGCDHM COc1c([O-])c(CNc2ccc(N(C(C)=O)C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000293967434 498546806 /nfs/dbraw/zinc/54/68/06/498546806.db2.gz JVKBKMHVZKUOOZ-UHFFFAOYSA-N -1 3 371.393 3.436 20 10 FGCDHM COc1c([O-])c(CNCc2ccnc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000295011314 498879291 /nfs/dbraw/zinc/87/92/91/498879291.db2.gz JLGIPSUHVUUQRI-UHFFFAOYSA-N -1 3 357.288 3.013 20 10 FGCDHM CC[C@H](NCc1cccc(S(=O)(=O)NC)c1)c1cccc(Cl)c1[O-] ZINC000287904067 498898539 /nfs/dbraw/zinc/89/85/39/498898539.db2.gz ZTBZQSYBSHJJST-INIZCTEOSA-N -1 3 368.886 3.195 20 10 FGCDHM COc1cc(O)c(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1OC ZINC000371480196 499332395 /nfs/dbraw/zinc/33/23/95/499332395.db2.gz MTSPIXYGBDTWHF-UHFFFAOYSA-N -1 3 371.433 3.210 20 10 FGCDHM CC[C@H](NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccccc1[O-] ZINC000372337633 499422109 /nfs/dbraw/zinc/42/21/09/499422109.db2.gz NRWBSHCOGSVUHI-AAEUAGOBSA-N -1 3 354.376 3.349 20 10 FGCDHM [O-]c1ccc(F)cc1CN1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000378499735 499524709 /nfs/dbraw/zinc/52/47/09/499524709.db2.gz RQAHHLCEBBMGTK-CQSZACIVSA-N -1 3 355.373 3.099 20 10 FGCDHM Cc1ccc(C(=O)N(C)[C@H](c2ccc(F)cc2)c2ncccn2)c([O-])c1O ZINC000378557911 499531412 /nfs/dbraw/zinc/53/14/12/499531412.db2.gz KOGNEKFUTFFWBK-MRXNPFEDSA-N -1 3 367.380 3.197 20 10 FGCDHM [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000738397039 598466089 /nfs/dbraw/zinc/46/60/89/598466089.db2.gz MRURKESKVWRQTI-UHFFFAOYSA-N -1 3 350.209 3.169 20 10 FGCDHM [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000738397039 598466090 /nfs/dbraw/zinc/46/60/90/598466090.db2.gz MRURKESKVWRQTI-UHFFFAOYSA-N -1 3 350.209 3.169 20 10 FGCDHM Cc1cc(C(=O)N2C3CCC2CC3)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232964 598610584 /nfs/dbraw/zinc/61/05/84/598610584.db2.gz BQWFUCCHDWAOJV-UHFFFAOYSA-N -1 3 362.437 3.041 20 10 FGCDHM O=C([O-])c1cccc(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000739275469 600148388 /nfs/dbraw/zinc/14/83/88/600148388.db2.gz WZAQCXNRGJDWOY-UHFFFAOYSA-N -1 3 368.433 3.474 20 10 FGCDHM O=C([O-])c1cccc(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000739275469 600148389 /nfs/dbraw/zinc/14/83/89/600148389.db2.gz WZAQCXNRGJDWOY-UHFFFAOYSA-N -1 3 368.433 3.474 20 10 FGCDHM CCN(C(=O)C=Cc1cnc(C)s1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367040 608346548 /nfs/dbraw/zinc/34/65/48/608346548.db2.gz IIYZQROFLMVRBX-ALCCZGGFSA-N -1 3 374.857 3.351 20 10 FGCDHM CCN(C(=O)C=Cc1cnc(C)s1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367040 608346550 /nfs/dbraw/zinc/34/65/50/608346550.db2.gz IIYZQROFLMVRBX-ALCCZGGFSA-N -1 3 374.857 3.351 20 10 FGCDHM [O-]c1cccc(Cl)c1CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000128316481 700773371 /nfs/dbraw/zinc/77/33/71/700773371.db2.gz QXHKUEHDFMAYRX-UHFFFAOYSA-N -1 3 352.265 3.412 20 10 FGCDHM CC(C)(NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)NCC1CCCC1 ZINC000136025394 704856740 /nfs/dbraw/zinc/85/67/40/704856740.db2.gz UJGBWWUELRSMFA-UHFFFAOYSA-N -1 3 369.849 3.128 20 10 FGCDHM CN(Cc1nccn1CC(F)(F)F)Cc1c([O-])ccc2ccncc21 ZINC000738155614 722528933 /nfs/dbraw/zinc/52/89/33/722528933.db2.gz FMLBOTLXUJFJTR-UHFFFAOYSA-N -1 3 350.344 3.331 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](N3CCCCC3=O)C2)c1[O-] ZINC000750044746 722752699 /nfs/dbraw/zinc/75/26/99/722752699.db2.gz JPQCLNHNUWSIQX-MRXNPFEDSA-N -1 3 364.873 3.225 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750058884 722753315 /nfs/dbraw/zinc/75/33/15/722753315.db2.gz ZLVHKLODGUJQIZ-LBPRGKRZSA-N -1 3 353.846 3.412 20 10 FGCDHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769673435 723691873 /nfs/dbraw/zinc/69/18/73/723691873.db2.gz XHROIXZTJZPCEL-LSDHHAIUSA-N -1 3 368.499 3.098 20 10 FGCDHM COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1F ZINC000774820588 723933100 /nfs/dbraw/zinc/93/31/00/723933100.db2.gz BXQNMZHDVOJZJA-UHFFFAOYSA-N -1 3 350.346 3.089 20 10 FGCDHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1OC ZINC000775294045 723978262 /nfs/dbraw/zinc/97/82/62/723978262.db2.gz GLZOLTRLXJLRRV-UHFFFAOYSA-N -1 3 365.451 3.444 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2ccc(C3(O)COC3)cc2)c1 ZINC000808434452 725200947 /nfs/dbraw/zinc/20/09/47/725200947.db2.gz GCWPCLDVLPHRLQ-UHFFFAOYSA-N -1 3 364.239 3.293 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNCc2ncccc2N(C)C)c1 ZINC000810167228 725294174 /nfs/dbraw/zinc/29/41/74/725294174.db2.gz ACMVCLUNMIJHSD-UHFFFAOYSA-N -1 3 350.260 3.214 20 10 FGCDHM COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2c(F)cc(C)cc2F)c1 ZINC000819876133 728948907 /nfs/dbraw/zinc/94/89/07/728948907.db2.gz POPYYWKFOFLWDX-JTQLQIEISA-N -1 3 357.378 3.027 20 10 FGCDHM Cc1nc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(C)o1 ZINC000815835238 727101097 /nfs/dbraw/zinc/10/10/97/727101097.db2.gz NWEUIIZGARDARI-OAHLLOKOSA-N -1 3 363.845 3.045 20 10 FGCDHM Cc1nc(N2CCOCC2)ccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816563854 727175973 /nfs/dbraw/zinc/17/59/73/727175973.db2.gz LODIUTCJEKAUKH-UHFFFAOYSA-N -1 3 351.809 3.337 20 10 FGCDHM C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000817046939 727216607 /nfs/dbraw/zinc/21/66/07/727216607.db2.gz HJIJKMDQZCPCRD-LLVKDONJSA-N -1 3 364.804 3.241 20 10 FGCDHM Cn1ccnc1[C@H]1N(Cc2cc(Br)ccc2[O-])CC1(C)C ZINC000824620396 729351388 /nfs/dbraw/zinc/35/13/88/729351388.db2.gz MYZJFRBHJLOHHY-CQSZACIVSA-N -1 3 350.260 3.471 20 10 FGCDHM C[C@H](N1CCN(Cc2ccc(Br)cc2[O-])CC1)C(F)(F)F ZINC000824913079 729364794 /nfs/dbraw/zinc/36/47/94/729364794.db2.gz HIONLQUULLQEPN-JTQLQIEISA-N -1 3 367.209 3.223 20 10 FGCDHM [O-]c1cc(Br)ccc1CN(CCO)Cc1cccnc1Cl ZINC000825752732 729394013 /nfs/dbraw/zinc/39/40/13/729394013.db2.gz IHPYZSSFHJZLSA-UHFFFAOYSA-N -1 3 371.662 3.198 20 10 FGCDHM Cc1cc(N(C)C)ccc1CNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826268790 729406834 /nfs/dbraw/zinc/40/68/34/729406834.db2.gz NRXDPTGEZFMCTC-UHFFFAOYSA-N -1 3 357.849 3.210 20 10 FGCDHM Cc1cc(N(C)C)ccc1CNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826268790 729406835 /nfs/dbraw/zinc/40/68/35/729406835.db2.gz NRXDPTGEZFMCTC-UHFFFAOYSA-N -1 3 357.849 3.210 20 10 FGCDHM CC1(c2nnc(C3CCOCC3)o2)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000828036964 729439012 /nfs/dbraw/zinc/43/90/12/729439012.db2.gz ZKVCYQHUFHCDFJ-UHFFFAOYSA-N -1 3 363.845 3.096 20 10 FGCDHM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CCC1Cc2ccccc2C1 ZINC000844660195 730747698 /nfs/dbraw/zinc/74/76/98/730747698.db2.gz IJUGFTMFCXDSBM-UHFFFAOYSA-N -1 3 359.447 3.142 20 10 FGCDHM CC1(C)CCC(C)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000857540813 732136234 /nfs/dbraw/zinc/13/62/34/732136234.db2.gz VIHXKZNLQJTBAK-UHFFFAOYSA-N -1 3 368.499 3.100 20 10 FGCDHM CC(=O)c1cc(F)cc(CN(C)C[C@@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000860093528 732448101 /nfs/dbraw/zinc/44/81/01/732448101.db2.gz CZQHVPUSNVDQRW-LLVKDONJSA-N -1 3 354.422 3.079 20 10 FGCDHM CC(C)CC(=O)N1CCCN(Cc2cccc(Br)c2[O-])CC1 ZINC000877773956 736717792 /nfs/dbraw/zinc/71/77/92/736717792.db2.gz BQBRCRKMUWUOTK-UHFFFAOYSA-N -1 3 369.303 3.235 20 10 FGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@H](C2OCCO2)C1 ZINC000896378854 742542024 /nfs/dbraw/zinc/54/20/24/742542024.db2.gz VCXKJWQPTZBQER-VIFPVBQESA-N -1 3 362.651 3.003 20 10 FGCDHM CC(C)(C)n1cc(C(=O)NCc2c([O-])cccc2F)c(Br)n1 ZINC000928707609 760241785 /nfs/dbraw/zinc/24/17/85/760241785.db2.gz GAHOQXUVBBDQQP-UHFFFAOYSA-N -1 3 370.222 3.175 20 10 FGCDHM O=C(NCc1c([O-])cccc1F)Nc1ncc(C2CCOCC2)s1 ZINC000931630532 760916505 /nfs/dbraw/zinc/91/65/05/760916505.db2.gz MQGDOPCTHXQBRV-UHFFFAOYSA-N -1 3 351.403 3.204 20 10 FGCDHM [O-]c1ccccc1CN(Cc1nnc(-c2ccco2)o1)C[C@H]1CCCO1 ZINC000078680595 494343108 /nfs/dbraw/zinc/34/31/08/494343108.db2.gz DNBAQHRCZZNSSE-OAHLLOKOSA-N -1 3 355.394 3.216 20 10 FGCDHM O=C(c1ccsc1)N1CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000092149165 494800923 /nfs/dbraw/zinc/80/09/23/494800923.db2.gz UVDQDVDVPSNWIM-UHFFFAOYSA-N -1 3 350.871 3.455 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@H]1CCCOC1 ZINC000174190939 495856603 /nfs/dbraw/zinc/85/66/03/495856603.db2.gz ZKWQAWVLXPBDSO-GFCCVEGCSA-N -1 3 371.275 3.113 20 10 FGCDHM C[C@H](NCc1cccc(N(C)C)n1)c1ccc(Br)cc1[O-] ZINC000186179648 495887026 /nfs/dbraw/zinc/88/70/26/495887026.db2.gz XQAGXCILQKDJHV-NSHDSACASA-N -1 3 350.260 3.467 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC(NC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000177257823 495996722 /nfs/dbraw/zinc/99/67/22/495996722.db2.gz UJRIIMIFTWIJMH-UHFFFAOYSA-N -1 3 366.433 3.223 20 10 FGCDHM CCN(Cc1nc([C@H](C)OC)no1)Cc1cc(Br)ccc1[O-] ZINC000175285581 496322917 /nfs/dbraw/zinc/32/29/17/496322917.db2.gz AAKNEFPWNGFZNW-JTQLQIEISA-N -1 3 370.247 3.267 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000187221496 496346985 /nfs/dbraw/zinc/34/69/85/496346985.db2.gz GCRWJUNAPFRRGE-HNNXBMFYSA-N -1 3 367.323 3.330 20 10 FGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000162426408 496351565 /nfs/dbraw/zinc/35/15/65/496351565.db2.gz RXIVNGOVJDMODN-UHFFFAOYSA-N -1 3 358.438 3.138 20 10 FGCDHM CCN1CCN(c2cccc(NC(=O)c3cc(F)c([O-])c(F)c3)c2)CC1 ZINC000187407777 496428364 /nfs/dbraw/zinc/42/83/64/496428364.db2.gz MJXUUKQKKPIJNF-UHFFFAOYSA-N -1 3 361.392 3.065 20 10 FGCDHM C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000184964580 496601761 /nfs/dbraw/zinc/60/17/61/496601761.db2.gz FMWKWJOKSLRLSB-GFCCVEGCSA-N -1 3 368.886 3.147 20 10 FGCDHM Cc1c(CN2CCSCC2)cccc1NC(=O)c1cccc(O)c1[O-] ZINC000188320778 496751604 /nfs/dbraw/zinc/75/16/04/496751604.db2.gz SZCUXHYARBLVRM-UHFFFAOYSA-N -1 3 358.463 3.207 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(N3CCCCC3)nc2)c1 ZINC000273413998 496799645 /nfs/dbraw/zinc/79/96/45/496799645.db2.gz QKQVNBHLHGIHPE-HNNXBMFYSA-N -1 3 369.465 3.415 20 10 FGCDHM C[C@H](NCc1c([O-])cccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000264949747 497017452 /nfs/dbraw/zinc/01/74/52/497017452.db2.gz KFDIGRPEWFWWRJ-LBPRGKRZSA-N -1 3 368.886 3.147 20 10 FGCDHM CC1(C)CCN(Cc2cc(-c3ccccc3)ccc2[O-])CCS1(=O)=O ZINC000278315293 497072094 /nfs/dbraw/zinc/07/20/94/497072094.db2.gz STABZIIBKUVPSU-UHFFFAOYSA-N -1 3 359.491 3.458 20 10 FGCDHM CCOc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1F ZINC000278627514 497172740 /nfs/dbraw/zinc/17/27/40/497172740.db2.gz GNNDCKMDLGLNMM-UHFFFAOYSA-N -1 3 350.346 3.137 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc(COC(C)(C)C)on2)c1 ZINC000275026753 497221670 /nfs/dbraw/zinc/22/16/70/497221670.db2.gz VESBUXLIRRMTEQ-GFCCVEGCSA-N -1 3 362.426 3.333 20 10 FGCDHM COc1c([O-])c(CN[C@H](CN2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278863371 497246063 /nfs/dbraw/zinc/24/60/63/497246063.db2.gz MFEKNZXKIHMLOO-QGZVFWFLSA-N -1 3 371.437 3.236 20 10 FGCDHM O=S1(=O)CC[C@H](N(Cc2cc(-c3ccccc3)ccc2[O-])C2CC2)C1 ZINC000271061291 497255730 /nfs/dbraw/zinc/25/57/30/497255730.db2.gz GNPIFCNKKFMULM-IBGZPJMESA-N -1 3 357.475 3.211 20 10 FGCDHM COCCOc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1F ZINC000278944494 497276266 /nfs/dbraw/zinc/27/62/66/497276266.db2.gz YHURIMLOUUHEPC-UHFFFAOYSA-N -1 3 366.345 3.085 20 10 FGCDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1[O-] ZINC000271823838 497460933 /nfs/dbraw/zinc/46/09/33/497460933.db2.gz OENGPXUCZSUBSX-NSHDSACASA-N -1 3 356.397 3.104 20 10 FGCDHM O=[N+]([O-])c1cccnc1N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000301165853 497980328 /nfs/dbraw/zinc/98/03/28/497980328.db2.gz DPHUPLLOAKGWBF-CQSZACIVSA-N -1 3 362.817 3.425 20 10 FGCDHM C[C@H](N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000364499286 497988659 /nfs/dbraw/zinc/98/86/59/497988659.db2.gz BZALQKHXWSKLCK-MEDUHNTESA-N -1 3 364.367 3.261 20 10 FGCDHM Cc1ccc(C(=O)N[C@@H](c2noc(C3CC3)n2)c2ccccc2)c([O-])c1O ZINC000365014754 498255903 /nfs/dbraw/zinc/25/59/03/498255903.db2.gz QDEWDILKYMCTQD-OAHLLOKOSA-N -1 3 365.389 3.186 20 10 FGCDHM COc1cc(Cl)cc(CN(CCNC(C)=O)Cc2ccsc2)c1[O-] ZINC000282826278 498669974 /nfs/dbraw/zinc/66/99/74/498669974.db2.gz BKDGWMHPWQMRPX-UHFFFAOYSA-N -1 3 368.886 3.254 20 10 FGCDHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295066948 498898102 /nfs/dbraw/zinc/89/81/02/498898102.db2.gz AMTHGVHGBFAPSN-SNVBAGLBSA-N -1 3 372.849 3.025 20 10 FGCDHM COCCC[C@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000370343220 499211539 /nfs/dbraw/zinc/21/15/39/499211539.db2.gz NKWACRZPPGLBEJ-YOEHRIQHSA-N -1 3 368.905 3.189 20 10 FGCDHM O=C(N[C@H](c1cccnc1)c1ccc(F)c(F)c1)c1cccc(O)c1[O-] ZINC000370499224 499226176 /nfs/dbraw/zinc/22/61/76/499226176.db2.gz LDQZEFTVHIJXED-KRWDZBQOSA-N -1 3 356.328 3.290 20 10 FGCDHM Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1Cc1ccccc1[O-] ZINC000371677884 499353913 /nfs/dbraw/zinc/35/39/13/499353913.db2.gz WRKMVAQHUOAFTE-HNNXBMFYSA-N -1 3 369.387 3.341 20 10 FGCDHM CC1CCN(c2cccc(NC(=O)c3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000736280232 598835716 /nfs/dbraw/zinc/83/57/16/598835716.db2.gz PCKZUHRXKAZEHJ-UHFFFAOYSA-N -1 3 362.437 3.355 20 10 FGCDHM CC1CCN(c2cccc(NC(=O)c3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000736280232 598835718 /nfs/dbraw/zinc/83/57/18/598835718.db2.gz PCKZUHRXKAZEHJ-UHFFFAOYSA-N -1 3 362.437 3.355 20 10 FGCDHM O=C([O-])C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)C1CC1 ZINC000833248523 601377092 /nfs/dbraw/zinc/37/70/92/601377092.db2.gz OSYXIJGUAFWOIX-UHFFFAOYSA-N -1 3 350.212 3.357 20 10 FGCDHM O=C([O-])C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)C1CC1 ZINC000833248523 601377093 /nfs/dbraw/zinc/37/70/93/601377093.db2.gz OSYXIJGUAFWOIX-UHFFFAOYSA-N -1 3 350.212 3.357 20 10 FGCDHM Cc1cc(C(=O)N2C[C@H](C)[C@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168447 606432207 /nfs/dbraw/zinc/43/22/07/606432207.db2.gz MUAMHSVTGMFHDI-BETUJISGSA-N -1 3 364.453 3.002 20 10 FGCDHM Cc1cc(C(=O)N2[C@H](C)CC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167708 606914733 /nfs/dbraw/zinc/91/47/33/606914733.db2.gz GIZNRHGPYVTEJZ-CHWSQXEVSA-N -1 3 364.453 3.287 20 10 FGCDHM CC(C)(C)c1cnc(SCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819965784 607119902 /nfs/dbraw/zinc/11/99/02/607119902.db2.gz MTTJNSLMJJUSEV-UHFFFAOYSA-N -1 3 374.495 3.352 20 10 FGCDHM CC(C)(C)c1cnc(SCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819965784 607119903 /nfs/dbraw/zinc/11/99/03/607119903.db2.gz MTTJNSLMJJUSEV-UHFFFAOYSA-N -1 3 374.495 3.352 20 10 FGCDHM Cc1ccc(C(=O)N2CCN(Cc3c([O-])cccc3Cl)CC2)cc1F ZINC000768251966 723651920 /nfs/dbraw/zinc/65/19/20/723651920.db2.gz NRDISSSDPJMUHC-UHFFFAOYSA-N -1 3 362.832 3.451 20 10 FGCDHM COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000780794408 724501596 /nfs/dbraw/zinc/50/15/96/724501596.db2.gz RMFBRRZQQWUTLP-LLVKDONJSA-N -1 3 353.465 3.162 20 10 FGCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCCCS1 ZINC000783587125 724768661 /nfs/dbraw/zinc/76/86/61/724768661.db2.gz BFXSFIHTHFNTDR-RDJZCZTQSA-N -1 3 368.930 3.412 20 10 FGCDHM CC(C)CC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCC1 ZINC000755859911 722957676 /nfs/dbraw/zinc/95/76/76/722957676.db2.gz HSGDPCHZTHQEOE-UHFFFAOYSA-N -1 3 368.499 3.100 20 10 FGCDHM O=C([O-])[C@H](NCc1ccc2c(c1)CCO2)c1cccc(Br)c1 ZINC000756353106 722963341 /nfs/dbraw/zinc/96/33/41/722963341.db2.gz YZQNKUIWVQJWFJ-MRXNPFEDSA-N -1 3 362.223 3.300 20 10 FGCDHM CCOc1cc(CNC(=O)c2cccc(O)c2[O-])ccc1OC(F)F ZINC000790548672 723151634 /nfs/dbraw/zinc/15/16/34/723151634.db2.gz ZAQXRPVCUHRPFU-UHFFFAOYSA-N -1 3 353.321 3.028 20 10 FGCDHM CCOc1cccc(CNC(=O)c2cccc(O)c2[O-])c1OC(F)F ZINC000790878478 723188785 /nfs/dbraw/zinc/18/87/85/723188785.db2.gz STKFPIWXSWREEL-UHFFFAOYSA-N -1 3 353.321 3.028 20 10 FGCDHM Cc1ccc(CN2CC[C@@H](NCc3c([O-])ccc(Cl)c3F)C2=O)cc1 ZINC000791010050 723204930 /nfs/dbraw/zinc/20/49/30/723204930.db2.gz CFPSMHTYYKJJRP-MRXNPFEDSA-N -1 3 362.832 3.384 20 10 FGCDHM O=C1[C@@H](NCc2c([O-])ccc(Cl)c2F)CCN1Cc1ccc(F)cc1 ZINC000791007635 723204994 /nfs/dbraw/zinc/20/49/94/723204994.db2.gz OUEMDHPVOFEYKJ-HNNXBMFYSA-N -1 3 366.795 3.215 20 10 FGCDHM COc1c([O-])c(CNCc2cc([N+](=O)[O-])ccc2Cl)ccc1[N+](=O)[O-] ZINC000775035222 723954919 /nfs/dbraw/zinc/95/49/19/723954919.db2.gz XURGMYYCSIOGDS-UHFFFAOYSA-N -1 3 367.745 3.160 20 10 FGCDHM O=[N+]([O-])c1ccc2[nH]c(CNCc3cc(Cl)cc(F)c3[O-])nc2c1 ZINC000775181564 723968941 /nfs/dbraw/zinc/96/89/41/723968941.db2.gz USSNLUZHWWDYRB-UHFFFAOYSA-N -1 3 350.737 3.259 20 10 FGCDHM CSC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCC1 ZINC000787445536 725028573 /nfs/dbraw/zinc/02/85/73/725028573.db2.gz MYURHOILSMECPH-OAHLLOKOSA-N -1 3 368.930 3.412 20 10 FGCDHM O=S(=O)(c1cccc(NCc2c([O-])cccc2Cl)c1)N1CCCC1 ZINC000808437966 725201139 /nfs/dbraw/zinc/20/11/39/725201139.db2.gz OENSIYAZCCRQAM-UHFFFAOYSA-N -1 3 366.870 3.442 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000811519776 725372409 /nfs/dbraw/zinc/37/24/09/725372409.db2.gz DQLZLZRPWHMIMN-ZDUSSCGKSA-N -1 3 356.651 3.452 20 10 FGCDHM CCc1nsc(N2CCCN(Cc3cc(Cl)c(F)cc3[O-])CC2)n1 ZINC000816519503 727170891 /nfs/dbraw/zinc/17/08/91/727170891.db2.gz LUKMOMJTKIYDCO-UHFFFAOYSA-N -1 3 370.881 3.311 20 10 FGCDHM COc1ccc(N2CC[C@H](CNC(=O)c3cc([O-])ccc3Cl)C2)cc1 ZINC000819587880 727383667 /nfs/dbraw/zinc/38/36/67/727383667.db2.gz IURDOELCDSBKRQ-CYBMUJFWSA-N -1 3 360.841 3.311 20 10 FGCDHM [O-]c1cc(F)c(Cl)cc1CN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000824636530 729352200 /nfs/dbraw/zinc/35/22/00/729352200.db2.gz RSOVWRROCNDSFK-KBXCAEBGSA-N -1 3 353.796 3.485 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000824767740 729358432 /nfs/dbraw/zinc/35/84/32/729358432.db2.gz APFBYOUGSUXKFE-CMPLNLGQSA-N -1 3 354.166 3.042 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000824767744 729358482 /nfs/dbraw/zinc/35/84/82/729358482.db2.gz APFBYOUGSUXKFE-PWSUYJOCSA-N -1 3 354.166 3.042 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCC(O)(C(F)(F)F)CC1 ZINC000825451708 729383826 /nfs/dbraw/zinc/38/38/26/729383826.db2.gz YOCLOAGXLMARTQ-UHFFFAOYSA-N -1 3 354.166 3.044 20 10 FGCDHM COC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])[C@H]1CCC[C@@H](OC)C1 ZINC000826143420 729405916 /nfs/dbraw/zinc/40/59/16/729405916.db2.gz ZDMRFWXPTFIFGE-DXCKQFNASA-N -1 3 355.862 3.190 20 10 FGCDHM CC(C)(C)c1nnc2n1CCN(Cc1ccc(Br)cc1[O-])C2 ZINC000827787150 729434816 /nfs/dbraw/zinc/43/48/16/729434816.db2.gz MKRDNEONWVMTTH-UHFFFAOYSA-N -1 3 365.275 3.060 20 10 FGCDHM CC(C)c1nnc(CN[C@@H](C)c2cc(Br)cc(F)c2[O-])[nH]1 ZINC000834869720 729840060 /nfs/dbraw/zinc/84/00/60/729840060.db2.gz FIJAKCVMGDQZLA-QMMMGPOBSA-N -1 3 357.227 3.386 20 10 FGCDHM CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cccc(Cl)c2[O-])CCCO1 ZINC000835081585 729857221 /nfs/dbraw/zinc/85/72/21/729857221.db2.gz JUFMWQBYKXVPQY-CQSZACIVSA-N -1 3 370.877 3.161 20 10 FGCDHM COc1ccc(NCc2c(O)cc(C)cc2Cl)cc1[N-]S(C)(=O)=O ZINC000840908838 730189995 /nfs/dbraw/zinc/18/99/95/730189995.db2.gz KFHXOLIBPYCQJI-UHFFFAOYSA-N -1 3 370.858 3.346 20 10 FGCDHM Cc1cc([O-])c(CN2CCN(C(=O)c3cscn3)[C@@H](C)C2)c(Cl)c1 ZINC000840952683 730196197 /nfs/dbraw/zinc/19/61/97/730196197.db2.gz FWJZWOVTPRDGPK-LBPRGKRZSA-N -1 3 365.886 3.157 20 10 FGCDHM COC(=O)c1cnc([C@@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)s1 ZINC000896968497 742624164 /nfs/dbraw/zinc/62/41/64/742624164.db2.gz AXKGTPQWBCPUAS-SECBINFHSA-N -1 3 370.833 3.417 20 10 FGCDHM Cc1nn(C)c(OCC(F)(F)F)c1CNCc1cccc(Cl)c1[O-] ZINC000898220332 742760734 /nfs/dbraw/zinc/76/07/34/742760734.db2.gz YZVJKJVVZSEEIL-UHFFFAOYSA-N -1 3 363.767 3.318 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](c3nncn3C(C)C)C2)c1[O-] ZINC000093200669 494842302 /nfs/dbraw/zinc/84/23/02/494842302.db2.gz NCUCXAKXQOENKA-AWEZNQCLSA-N -1 3 360.433 3.286 20 10 FGCDHM [O-]c1cccc(Cl)c1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000113324371 495296423 /nfs/dbraw/zinc/29/64/23/495296423.db2.gz LNKLXMYMBRNZNX-UHFFFAOYSA-N -1 3 350.821 3.311 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1ccoc1 ZINC000174332327 495914100 /nfs/dbraw/zinc/91/41/00/495914100.db2.gz AKDFTIYSRZKXBE-UHFFFAOYSA-N -1 3 353.216 3.479 20 10 FGCDHM C[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(F)cc1[O-] ZINC000186249647 495914285 /nfs/dbraw/zinc/91/42/85/495914285.db2.gz IHVLADIUIDMJMA-GFCCVEGCSA-N -1 3 350.415 3.244 20 10 FGCDHM C[C@@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1cc(Cl)ccc1[O-] ZINC000273370026 496786913 /nfs/dbraw/zinc/78/69/13/496786913.db2.gz FWQWFPVOFLMVOA-CQSZACIVSA-N -1 3 374.868 3.369 20 10 FGCDHM CN(C)c1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000277500421 496793765 /nfs/dbraw/zinc/79/37/65/496793765.db2.gz TXWLHLHYGFWGLM-UHFFFAOYSA-N -1 3 373.840 3.076 20 10 FGCDHM CCc1nn(C)c(Cl)c1CNCc1cccc(Br)c1[O-] ZINC000278315769 497072387 /nfs/dbraw/zinc/07/23/87/497072387.db2.gz FOKHSEUPMLRNOB-UHFFFAOYSA-N -1 3 358.667 3.394 20 10 FGCDHM COc1c([O-])c(CN[C@@H](C)c2cn(C(C)(C)C)nc2C)ccc1[N+](=O)[O-] ZINC000278548558 497150705 /nfs/dbraw/zinc/15/07/05/497150705.db2.gz YQNHVWYJBOQIKK-NSHDSACASA-N -1 3 362.430 3.420 20 10 FGCDHM Cc1nn2c(CN(Cc3ccccc3[O-])C[C@@H]3CCCO3)c(C)nc2s1 ZINC000270997668 497242825 /nfs/dbraw/zinc/24/28/25/497242825.db2.gz JZYUMKSHDDPZEQ-INIZCTEOSA-N -1 3 372.494 3.294 20 10 FGCDHM COc1c([O-])c(CNCc2ccc(NC(=O)C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000278909428 497263791 /nfs/dbraw/zinc/26/37/91/497263791.db2.gz SEXSRWSSTHHXJA-UHFFFAOYSA-N -1 3 373.409 3.193 20 10 FGCDHM Cc1cc(Br)cc(CN2CCOC[C@@H]2CC(F)F)c1[O-] ZINC000289718894 498262008 /nfs/dbraw/zinc/26/20/08/498262008.db2.gz PFBKTFVIEIUILD-LBPRGKRZSA-N -1 3 350.203 3.319 20 10 FGCDHM CC[C@@H](NCc1cnc(N2CCOCC2)c(F)c1)c1ccc(F)cc1[O-] ZINC000286191351 498320052 /nfs/dbraw/zinc/32/00/52/498320052.db2.gz QWEMIXBQBSBBKW-QGZVFWFLSA-N -1 3 363.408 3.143 20 10 FGCDHM CN(Cc1ccccc1[O-])c1cnn(Cc2ccccc2)c(=O)c1Cl ZINC000302670363 498527839 /nfs/dbraw/zinc/52/78/39/498527839.db2.gz RJSIQDXMNSAHGW-UHFFFAOYSA-N -1 3 355.825 3.287 20 10 FGCDHM COc1c([O-])c(CNc2ccccc2-c2nnc(C)o2)ccc1[N+](=O)[O-] ZINC000365804838 498648793 /nfs/dbraw/zinc/64/87/93/498648793.db2.gz GYKJNABWKJKJDY-UHFFFAOYSA-N -1 3 356.338 3.280 20 10 FGCDHM COc1c([O-])c(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)ccc1[N+](=O)[O-] ZINC000284508672 499117884 /nfs/dbraw/zinc/11/78/84/499117884.db2.gz YETCYEYYXKQIOR-RISCZKNCSA-N -1 3 361.225 3.325 20 10 FGCDHM C[C@@H](Nc1cccc2c1CCN(S(C)(=O)=O)C2)c1ccc(F)cc1[O-] ZINC000368234870 499276614 /nfs/dbraw/zinc/27/66/14/499276614.db2.gz MSOHGOXXIAFROI-GFCCVEGCSA-N -1 3 364.442 3.022 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](OCc3c(C)noc3C)C2)c1[O-] ZINC000368834153 499337652 /nfs/dbraw/zinc/33/76/52/499337652.db2.gz LLCBBMXRBPMTRF-INIZCTEOSA-N -1 3 362.401 3.130 20 10 FGCDHM Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)c([O-])c1O ZINC000371588406 499344768 /nfs/dbraw/zinc/34/47/68/499344768.db2.gz MOKMFTAZOVHHSH-LLVKDONJSA-N -1 3 353.827 3.335 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC(c3noc(C(F)F)n3)CC2)c1[O-] ZINC000373353666 499464917 /nfs/dbraw/zinc/46/49/17/499464917.db2.gz HSNRNVITLLDSBG-UHFFFAOYSA-N -1 3 369.343 3.434 20 10 FGCDHM Cc1cc(Cl)cc(CN2CCn3c(nnc3-c3cccnc3)C2)c1[O-] ZINC000378441516 499517101 /nfs/dbraw/zinc/51/71/01/499517101.db2.gz HEUBPYXRHNNAMT-UHFFFAOYSA-N -1 3 355.829 3.023 20 10 FGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1nnc(-c2cccc(F)c2)s1 ZINC000375904898 499567075 /nfs/dbraw/zinc/56/70/75/499567075.db2.gz LORJJGLTPYDBIA-VIFPVBQESA-N -1 3 359.382 3.246 20 10 FGCDHM CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000378007549 499754713 /nfs/dbraw/zinc/75/47/13/499754713.db2.gz QEGPYYQBTJFSGE-ZWKOTPCHSA-N -1 3 362.445 3.099 20 10 FGCDHM Cc1cc(C(=O)NCCC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233503 598609405 /nfs/dbraw/zinc/60/94/05/598609405.db2.gz FIRUOWGPFMJLPU-UHFFFAOYSA-N -1 3 352.442 3.050 20 10 FGCDHM CCC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736424310 598610349 /nfs/dbraw/zinc/61/03/49/598610349.db2.gz QFLVRAUJLSJGMY-LBPRGKRZSA-N -1 3 352.442 3.193 20 10 FGCDHM Cc1ncc(C=CC(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737490783 598763453 /nfs/dbraw/zinc/76/34/53/598763453.db2.gz XJYRKMIDTGLEQT-CMDGGOBGSA-N -1 3 368.466 3.334 20 10 FGCDHM Cc1ncc(C=CC(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737490783 598763455 /nfs/dbraw/zinc/76/34/55/598763455.db2.gz XJYRKMIDTGLEQT-CMDGGOBGSA-N -1 3 368.466 3.334 20 10 FGCDHM CC[C@@H]1CN2CCCC[C@H]2CN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000829163603 601253779 /nfs/dbraw/zinc/25/37/79/601253779.db2.gz YHEBJTYYRRRMLD-VTBIRBAPSA-N -1 3 359.426 3.146 20 10 FGCDHM CC[C@@H]1CN2CCCC[C@H]2CN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000829163600 601253928 /nfs/dbraw/zinc/25/39/28/601253928.db2.gz YHEBJTYYRRRMLD-FEPMCFLQSA-N -1 3 359.426 3.146 20 10 FGCDHM CN1CCCc2cc(CNCc3cccc4c3N(C(=O)[O-])CC4)ccc21 ZINC000828489979 603857294 /nfs/dbraw/zinc/85/72/94/603857294.db2.gz WMSQNLXFQOFGNX-UHFFFAOYSA-N -1 3 351.450 3.399 20 10 FGCDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1c1ccccc1 ZINC000823503087 606304799 /nfs/dbraw/zinc/30/47/99/606304799.db2.gz AYIURQKMQRHZEI-GHXNOFRVSA-N -1 3 371.472 3.334 20 10 FGCDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)SC(=S)N1c1ccccc1 ZINC000823503087 606304801 /nfs/dbraw/zinc/30/48/01/606304801.db2.gz AYIURQKMQRHZEI-GHXNOFRVSA-N -1 3 371.472 3.334 20 10 FGCDHM O=C1C(=Cc2ccccc2-c2nnn[n-]2)SC(=S)N1c1ccccc1 ZINC000826476959 607883890 /nfs/dbraw/zinc/88/38/90/607883890.db2.gz SLTIQNVACVJFHJ-GXDHUFHOSA-N -1 3 365.443 3.273 20 10 FGCDHM O=C1C(=Cc2ccccc2-c2nn[n-]n2)SC(=S)N1c1ccccc1 ZINC000826476959 607883891 /nfs/dbraw/zinc/88/38/91/607883891.db2.gz SLTIQNVACVJFHJ-GXDHUFHOSA-N -1 3 365.443 3.273 20 10 FGCDHM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2OC)cc1Cl ZINC000826209182 608369519 /nfs/dbraw/zinc/36/95/19/608369519.db2.gz PZFMKFIDVGCGSH-UHFFFAOYSA-N -1 3 359.817 3.174 20 10 FGCDHM COc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2OC)cc1Cl ZINC000826209182 608369521 /nfs/dbraw/zinc/36/95/21/608369521.db2.gz PZFMKFIDVGCGSH-UHFFFAOYSA-N -1 3 359.817 3.174 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000093457496 700451715 /nfs/dbraw/zinc/45/17/15/700451715.db2.gz UUCFSGBKVMEGKF-KRWDZBQOSA-N -1 3 364.239 3.434 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000123720499 700709193 /nfs/dbraw/zinc/70/91/93/700709193.db2.gz VLMGEUBWVSAOPO-JQWIXIFHSA-N -1 3 354.166 3.042 20 10 FGCDHM CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(O)c1[O-] ZINC000189063904 712785421 /nfs/dbraw/zinc/78/54/21/712785421.db2.gz SUZIKZZUNWBVKO-UHFFFAOYSA-N -1 3 355.312 3.268 20 10 FGCDHM COC(=O)[C@@H](NCc1cc(F)ccc1[O-])c1ccc(Br)cc1 ZINC000779173812 724397778 /nfs/dbraw/zinc/39/77/78/724397778.db2.gz HWTBVWZHEIWYAA-HNNXBMFYSA-N -1 3 368.202 3.298 20 10 FGCDHM CCc1nnc([C@H](C)N[C@@H](C)c2cc(Br)c(F)cc2[O-])[nH]1 ZINC000756779209 722969965 /nfs/dbraw/zinc/96/99/65/722969965.db2.gz RAOQPSPQKXRYNN-YUMQZZPRSA-N -1 3 357.227 3.386 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCc2sc(Br)cc2C1 ZINC000790897696 723190945 /nfs/dbraw/zinc/19/09/45/723190945.db2.gz OVIQRWPMZAQQGM-UHFFFAOYSA-N -1 3 354.225 3.120 20 10 FGCDHM O=C(NCc1cc2cccnc2cc1Br)c1cccc(O)c1[O-] ZINC000790897147 723191062 /nfs/dbraw/zinc/19/10/62/723191062.db2.gz LEAFVNYWPQDUCV-UHFFFAOYSA-N -1 3 373.206 3.339 20 10 FGCDHM CCOC(=O)c1sc(NC(=O)c2cccc(O)c2[O-])nc1C(C)C ZINC000790904979 723191758 /nfs/dbraw/zinc/19/17/58/723191758.db2.gz NBNVJEFKCQXTBA-UHFFFAOYSA-N -1 3 350.396 3.107 20 10 FGCDHM C[C@@H]1C[C@]2(CCO1)CN(Cc1cccc(Br)c1[O-])C[C@H](C)O2 ZINC000797605684 723841727 /nfs/dbraw/zinc/84/17/27/723841727.db2.gz UPXAEMNPRMDXFS-IIYDPXPESA-N -1 3 370.287 3.313 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2ncn(CC(F)(F)F)n2)c1 ZINC000775201482 723970423 /nfs/dbraw/zinc/97/04/23/723970423.db2.gz UFZLDNALQRNJTR-UHFFFAOYSA-N -1 3 365.153 3.229 20 10 FGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cccc(OC)c1F ZINC000800510950 724206346 /nfs/dbraw/zinc/20/63/46/724206346.db2.gz NETCASLPKIYAGH-UHFFFAOYSA-N -1 3 367.804 3.369 20 10 FGCDHM O=C(N[C@@H]1CCOc2c(Br)cccc21)c1cccc(O)c1[O-] ZINC000800576830 724214971 /nfs/dbraw/zinc/21/49/71/724214971.db2.gz YSCPSMOXNMMHDF-GFCCVEGCSA-N -1 3 364.195 3.114 20 10 FGCDHM Cc1cc(CC(=O)[N-]OC[C@@H]2CCOC2)c(C)n1-c1ccc(Cl)cc1 ZINC000788272656 725054293 /nfs/dbraw/zinc/05/42/93/725054293.db2.gz DLIOPPGBUXLDIH-OAHLLOKOSA-N -1 3 362.857 3.374 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2nnc(C(F)(F)F)o2)c1 ZINC000788450312 725065025 /nfs/dbraw/zinc/06/50/25/725065025.db2.gz VHIZVEXXRFEPKO-UHFFFAOYSA-N -1 3 352.110 3.477 20 10 FGCDHM C[C@H](Nc1ccc(N(C)CCO)cn1)c1cccc(C(F)(F)F)c1[O-] ZINC000788702197 725082085 /nfs/dbraw/zinc/08/20/85/725082085.db2.gz HIFWJSNCJVMKIX-NSHDSACASA-N -1 3 355.360 3.408 20 10 FGCDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)sc1Cl ZINC000788891020 725093830 /nfs/dbraw/zinc/09/38/30/725093830.db2.gz PWNOBNNEVRIJIZ-UHFFFAOYSA-N -1 3 362.879 3.394 20 10 FGCDHM COC(=O)[C@H](NCc1cc(Br)ccc1[O-])c1cccs1 ZINC000789571667 725137000 /nfs/dbraw/zinc/13/70/00/725137000.db2.gz LAUYBDNJNMACFN-CYBMUJFWSA-N -1 3 356.241 3.220 20 10 FGCDHM COc1ccc(C(=O)N2CCN(Cc3c([O-])cccc3Cl)CC2)cc1 ZINC000809734013 725263572 /nfs/dbraw/zinc/26/35/72/725263572.db2.gz QKVAVYXLTLNHKV-UHFFFAOYSA-N -1 3 360.841 3.012 20 10 FGCDHM COC(=O)c1ccc(CNCc2cccc(F)c2[O-])c(Br)c1 ZINC000809753249 725265063 /nfs/dbraw/zinc/26/50/63/725265063.db2.gz FHKUWBBJSVCSFD-UHFFFAOYSA-N -1 3 368.202 3.370 20 10 FGCDHM COC(=O)c1cnc([C@H](C)NCc2cccc(Br)c2[O-])s1 ZINC000818232337 727302642 /nfs/dbraw/zinc/30/26/42/727302642.db2.gz ZXNGDYKHKCDJSI-QMMMGPOBSA-N -1 3 371.256 3.249 20 10 FGCDHM COC(=O)c1cnc([C@@H](C)NCc2cc(Cl)cc(C(C)=O)c2[O-])s1 ZINC000823455671 729282111 /nfs/dbraw/zinc/28/21/11/729282111.db2.gz LOTZKNVIQQIVSC-MRVPVSSYSA-N -1 3 368.842 3.342 20 10 FGCDHM Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1ccc(Br)cc1[O-] ZINC000824927607 729365350 /nfs/dbraw/zinc/36/53/50/729365350.db2.gz PLLYNLCGJIKIKJ-CQSZACIVSA-N -1 3 366.259 3.068 20 10 FGCDHM C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(Br)cc1[O-] ZINC000825888334 729398464 /nfs/dbraw/zinc/39/84/64/729398464.db2.gz YVQRWBMIXZEFNR-PRHODGIISA-N -1 3 354.166 3.306 20 10 FGCDHM CCOC(=O)C[C@H](NCc1cc(Br)ccc1[O-])C(F)(F)F ZINC000827006135 729421355 /nfs/dbraw/zinc/42/13/55/729421355.db2.gz MZFFNSCPBLTUAH-NSHDSACASA-N -1 3 370.165 3.128 20 10 FGCDHM COCCN(Cc1c(C)nn(C)c1C)Cc1c([O-])cc(C)cc1Cl ZINC000840953480 730196157 /nfs/dbraw/zinc/19/61/57/730196157.db2.gz SDXSZQXRSWSHSC-UHFFFAOYSA-N -1 3 351.878 3.353 20 10 FGCDHM CC[C@H](NCc1nnn(C(C)(C)C)n1)c1cc(Br)ccc1[O-] ZINC000848560849 731181816 /nfs/dbraw/zinc/18/18/16/731181816.db2.gz MDRSVRSYFPDFID-LBPRGKRZSA-N -1 3 368.279 3.137 20 10 FGCDHM COC[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(OC)c1 ZINC000850363104 731348781 /nfs/dbraw/zinc/34/87/81/731348781.db2.gz ZKWFYCCZMYOVRP-OAHLLOKOSA-N -1 3 366.801 3.440 20 10 FGCDHM Cc1nc(C2(NCc3c([O-])cccc3Br)CCCC2)no1 ZINC000858120055 732182617 /nfs/dbraw/zinc/18/26/17/732182617.db2.gz XDSPBMBLKWSASW-UHFFFAOYSA-N -1 3 352.232 3.405 20 10 FGCDHM Cc1cc(C2(NCc3c([O-])cccc3Br)CCOCC2)on1 ZINC000858326553 732203273 /nfs/dbraw/zinc/20/32/73/732203273.db2.gz UUOPONIBWKRXRG-UHFFFAOYSA-N -1 3 367.243 3.247 20 10 FGCDHM CC(C)=CCSC[C@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)[O-] ZINC000864512386 733070271 /nfs/dbraw/zinc/07/02/71/733070271.db2.gz GZLWEDPUSHAEDZ-HNNXBMFYSA-N -1 3 358.454 3.273 20 10 FGCDHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(C)C)c2)cc1 ZINC000882799194 737493269 /nfs/dbraw/zinc/49/32/69/737493269.db2.gz STFHQFZBGLPKLK-UHFFFAOYSA-N -1 3 363.435 3.032 20 10 FGCDHM CSCC[C@@H](NCc1cc(F)cc(F)c1[O-])c1nnc2ccccn21 ZINC000882881400 737500198 /nfs/dbraw/zinc/50/01/98/737500198.db2.gz LKGIKEKWONORDE-CQSZACIVSA-N -1 3 364.421 3.297 20 10 FGCDHM COCCOc1ccc(CNCc2cccc(Br)c2[O-])o1 ZINC000894044793 742230964 /nfs/dbraw/zinc/23/09/64/742230964.db2.gz FDIGJSPCQAXBLZ-UHFFFAOYSA-N -1 3 356.216 3.063 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000895837942 742460530 /nfs/dbraw/zinc/46/05/30/742460530.db2.gz YQLSDAKKUCNHGE-ZDUSSCGKSA-N -1 3 368.193 3.210 20 10 FGCDHM Cn1ncc(NC(=O)OC(C)(C)C)c1CNCc1cccc(Cl)c1[O-] ZINC000898215035 742759485 /nfs/dbraw/zinc/75/94/85/742759485.db2.gz JHXOPKNSZMFJON-UHFFFAOYSA-N -1 3 366.849 3.416 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1ccco1 ZINC000080660167 494757096 /nfs/dbraw/zinc/75/70/96/494757096.db2.gz FDPWRQMMJMNBJT-UHFFFAOYSA-N -1 3 353.216 3.479 20 10 FGCDHM COc1cc(Br)cc(CN2CCC[C@H](n3cccn3)C2)c1[O-] ZINC000092967174 494796910 /nfs/dbraw/zinc/79/69/10/494796910.db2.gz ZPXFZYBOCVXSNZ-AWEZNQCLSA-N -1 3 366.259 3.197 20 10 FGCDHM COc1ccc(N[C@@H](C)c2ccc(C)cc2O)cc1[N-]S(C)(=O)=O ZINC000186405262 495985334 /nfs/dbraw/zinc/98/53/34/495985334.db2.gz KNFVJPQPPOCKSM-LBPRGKRZSA-N -1 3 350.440 3.254 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnc(C)nc1C ZINC000180605434 496064928 /nfs/dbraw/zinc/06/49/28/496064928.db2.gz MLJDOLRCKIGBHG-UHFFFAOYSA-N -1 3 364.243 3.224 20 10 FGCDHM C[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O)c1nccs1 ZINC000277579776 496819620 /nfs/dbraw/zinc/81/96/20/496819620.db2.gz FQHIBXPBJNGAMN-SNVBAGLBSA-N -1 3 365.842 3.070 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccn(CCc3ccncc3)n2)c1 ZINC000273545375 496836171 /nfs/dbraw/zinc/83/61/71/496836171.db2.gz ZFAHENYLKXNFFJ-AWEZNQCLSA-N -1 3 366.421 3.186 20 10 FGCDHM COc1cc(CNCc2cccc(Br)c2[O-])cc(OC)c1O ZINC000237107536 497192543 /nfs/dbraw/zinc/19/25/43/497192543.db2.gz LRYUEDFWOVKZSG-UHFFFAOYSA-N -1 3 368.227 3.167 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000193139781 497311871 /nfs/dbraw/zinc/31/18/71/497311871.db2.gz MNISJZYUDZKAJD-LBPRGKRZSA-N -1 3 358.463 3.453 20 10 FGCDHM COC(=O)c1nc([C@@H]2CCCN2Cc2cc(F)ccc2[O-])sc1C ZINC000279705353 497515775 /nfs/dbraw/zinc/51/57/75/497515775.db2.gz RTDRJVVGAVPWTJ-ZDUSSCGKSA-N -1 3 350.415 3.420 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cnc(OC)c(Cl)c2)c1 ZINC000296425339 498039199 /nfs/dbraw/zinc/03/91/99/498039199.db2.gz LPPZJENWEUANLZ-SNVBAGLBSA-N -1 3 350.802 3.087 20 10 FGCDHM CCN(Cc1cn(C(C)C)nn1)Cc1cc(Br)ccc1[O-] ZINC000289340341 498111222 /nfs/dbraw/zinc/11/12/22/498111222.db2.gz WANZCMOUNLOVAM-UHFFFAOYSA-N -1 3 353.264 3.349 20 10 FGCDHM O=C(NC1CCN(Cc2cc(Br)ccc2[O-])CC1)C1CCC1 ZINC000362099520 498464184 /nfs/dbraw/zinc/46/41/84/498464184.db2.gz QOIOHMPGPKZAJQ-UHFFFAOYSA-N -1 3 367.287 3.035 20 10 FGCDHM CCOCc1nc([C@@H](C)N[C@H](C)c2ccc(Br)cc2[O-])no1 ZINC000290279556 498494422 /nfs/dbraw/zinc/49/44/22/498494422.db2.gz XAOSWAPZTFHMGJ-NXEZZACHSA-N -1 3 370.247 3.486 20 10 FGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1ccncc1OC[C@H]1CCOC1 ZINC000293951991 498542173 /nfs/dbraw/zinc/54/21/73/498542173.db2.gz PDUKXIIPLHXTCU-LBPRGKRZSA-N -1 3 366.820 3.285 20 10 FGCDHM CCOC(=O)c1cnn(C2CCN(Cc3cccc(Cl)c3[O-])CC2)c1 ZINC000294765484 498797412 /nfs/dbraw/zinc/79/74/12/498797412.db2.gz JMZQDIDDKQDNLJ-UHFFFAOYSA-N -1 3 363.845 3.256 20 10 FGCDHM [O-]c1c(Cl)cc(Cl)cc1CN[C@@H]1CCCc2c1cnn2CCO ZINC000319967524 498804116 /nfs/dbraw/zinc/80/41/16/498804116.db2.gz VZXZTJVFEDQROT-CQSZACIVSA-N -1 3 356.253 3.055 20 10 FGCDHM CCOc1ccccc1OC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000363943842 499061388 /nfs/dbraw/zinc/06/13/88/499061388.db2.gz FOFTYRLKSKRVMQ-UHFFFAOYSA-N -1 3 357.406 3.180 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN[C@@H](c2nc[nH]n2)c2ccccc2)c1[O-] ZINC000375536562 499529841 /nfs/dbraw/zinc/52/98/41/499529841.db2.gz YIHFPDSXHDOZDX-MRXNPFEDSA-N -1 3 356.813 3.246 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN[C@@H](c2nnc[nH]2)c2ccccc2)c1[O-] ZINC000375536562 499529842 /nfs/dbraw/zinc/52/98/42/499529842.db2.gz YIHFPDSXHDOZDX-MRXNPFEDSA-N -1 3 356.813 3.246 20 10 FGCDHM CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000376212581 499591553 /nfs/dbraw/zinc/59/15/53/499591553.db2.gz UURUKNTWTWDQFT-JKSUJKDBSA-N -1 3 367.287 3.130 20 10 FGCDHM COc1cc(Br)cc(CNCc2noc3c2CCCC3)c1[O-] ZINC000377409821 499688067 /nfs/dbraw/zinc/68/80/67/499688067.db2.gz VWGVQKMFGKNCGP-UHFFFAOYSA-N -1 3 367.243 3.320 20 10 FGCDHM CCOc1nc2ccc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc2[n-]1 ZINC000469707202 502509606 /nfs/dbraw/zinc/50/96/06/502509606.db2.gz DYHJNIQVCKVXFJ-UHFFFAOYSA-N -1 3 366.421 3.067 20 10 FGCDHM CCOc1nc2cc(C(=O)N3CCOc4cc(N(C)C)ccc43)ccc2[n-]1 ZINC000469707202 502509610 /nfs/dbraw/zinc/50/96/10/502509610.db2.gz DYHJNIQVCKVXFJ-UHFFFAOYSA-N -1 3 366.421 3.067 20 10 FGCDHM Cc1cc(Cl)cc([C@H](C)NC(c2nccn2C)c2nccn2C)c1[O-] ZINC000527951049 504012700 /nfs/dbraw/zinc/01/27/00/504012700.db2.gz XALIGYSMUGYMTB-LBPRGKRZSA-N -1 3 359.861 3.261 20 10 FGCDHM COc1cc(Br)cc(C[NH2+][C@H](C(=O)[O-])c2ccccc2)c1[O-] ZINC000820754404 598219841 /nfs/dbraw/zinc/21/98/41/598219841.db2.gz AMPIPVPFBMSWPO-AWEZNQCLSA-N -1 3 366.211 3.079 20 10 FGCDHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccc(N2CCCC2)cc1 ZINC000737558014 598390485 /nfs/dbraw/zinc/39/04/85/598390485.db2.gz IOCVRONNGVZHTB-UHFFFAOYSA-N -1 3 355.833 3.127 20 10 FGCDHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ccc(N2CCCC2)cc1 ZINC000737558014 598390486 /nfs/dbraw/zinc/39/04/86/598390486.db2.gz IOCVRONNGVZHTB-UHFFFAOYSA-N -1 3 355.833 3.127 20 10 FGCDHM O=C([O-])[C@@]1(F)CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000833175053 601371123 /nfs/dbraw/zinc/37/11/23/601371123.db2.gz MPNQGTZTQKIROW-MRXNPFEDSA-N -1 3 368.202 3.307 20 10 FGCDHM O=C([O-])[C@@]1(F)CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000833175053 601371125 /nfs/dbraw/zinc/37/11/25/601371125.db2.gz MPNQGTZTQKIROW-MRXNPFEDSA-N -1 3 368.202 3.307 20 10 FGCDHM Cc1cc(Br)cc(CN2CC[C@H](NC(=O)[O-])C[C@H]2C)c1O ZINC000833897387 605996352 /nfs/dbraw/zinc/99/63/52/605996352.db2.gz JRIASVAXYZPQOK-MFKMUULPSA-N -1 3 357.248 3.084 20 10 FGCDHM CCN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367402 608344990 /nfs/dbraw/zinc/34/49/90/608344990.db2.gz PAZVLUXJBWVBJO-ZZXKWVIFSA-N -1 3 372.791 3.121 20 10 FGCDHM CCN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367402 608344991 /nfs/dbraw/zinc/34/49/91/608344991.db2.gz PAZVLUXJBWVBJO-ZZXKWVIFSA-N -1 3 372.791 3.121 20 10 FGCDHM COc1cccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1O ZINC000826215953 608377218 /nfs/dbraw/zinc/37/72/18/608377218.db2.gz DLAORUOEZJPPNR-UHFFFAOYSA-N -1 3 365.315 3.212 20 10 FGCDHM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(OC(F)(F)F)cc1 ZINC000007052010 695562140 /nfs/dbraw/zinc/56/21/40/695562140.db2.gz OAIPIJGYIHMTTF-UHFFFAOYSA-N -1 3 361.297 3.115 20 10 FGCDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000092455219 700436154 /nfs/dbraw/zinc/43/61/54/700436154.db2.gz ODYXDEOVBPBIHU-ZDUSSCGKSA-N -1 3 371.275 3.254 20 10 FGCDHM CCc1nc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])cs1 ZINC000111238390 700546937 /nfs/dbraw/zinc/54/69/37/700546937.db2.gz XTQFPMNLCOPPDP-UHFFFAOYSA-N -1 3 354.859 3.240 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCC(O)(C(F)(F)F)CC1 ZINC000780892480 724512107 /nfs/dbraw/zinc/51/21/07/724512107.db2.gz GRRNMHWSGNHRFS-UHFFFAOYSA-N -1 3 354.166 3.044 20 10 FGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@](C)(C(F)F)O1 ZINC000707167328 722412109 /nfs/dbraw/zinc/41/21/09/722412109.db2.gz XPQXPVCTXRCYIU-YMTOWFKASA-N -1 3 350.203 3.399 20 10 FGCDHM COc1ccc(-n2c(C)cc(C(=O)Nc3n[n-]c(SC)n3)c2C)cc1 ZINC000729352921 722459102 /nfs/dbraw/zinc/45/91/02/722459102.db2.gz XEXTZDTYWNNJMM-UHFFFAOYSA-N -1 3 357.439 3.195 20 10 FGCDHM COC(=O)c1nc(NC(=O)c2ccc(C)c(O)c2[O-])sc1C(C)C ZINC000752876354 722875827 /nfs/dbraw/zinc/87/58/27/722875827.db2.gz XICZNIKIXMEXGI-UHFFFAOYSA-N -1 3 350.396 3.025 20 10 FGCDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])Oc1ccc(Br)cc1 ZINC000790808798 723180497 /nfs/dbraw/zinc/18/04/97/723180497.db2.gz RVUHYNMXLUPXOP-JTQLQIEISA-N -1 3 366.211 3.058 20 10 FGCDHM O=C(NCCOCc1ccc(Cl)cc1Cl)c1cccc(O)c1[O-] ZINC000790919811 723193319 /nfs/dbraw/zinc/19/33/19/723193319.db2.gz SFZAUMXYKNIPLK-UHFFFAOYSA-N -1 3 356.205 3.351 20 10 FGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCCN(c2ncccc2F)CC1 ZINC000792180717 723318984 /nfs/dbraw/zinc/31/89/84/723318984.db2.gz SLUXFPSGTWJLNO-UHFFFAOYSA-N -1 3 353.800 3.431 20 10 FGCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@H](C(F)(F)F)O1 ZINC000824870098 729363092 /nfs/dbraw/zinc/36/30/92/729363092.db2.gz NKKICRMREVPQNF-PRHODGIISA-N -1 3 354.166 3.306 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c1[O-] ZINC000767902832 723638980 /nfs/dbraw/zinc/63/89/80/723638980.db2.gz KYSKLJKSDPJNQB-MRXNPFEDSA-N -1 3 363.351 3.259 20 10 FGCDHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000770355469 723711780 /nfs/dbraw/zinc/71/17/80/723711780.db2.gz XFVLIABKJUAZBY-WBMJQRKESA-N -1 3 370.877 3.160 20 10 FGCDHM Cc1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000771060132 723726922 /nfs/dbraw/zinc/72/69/22/723726922.db2.gz VSYWCQVOEMUAGX-AWEZNQCLSA-N -1 3 365.886 3.205 20 10 FGCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1(F)CCCC1 ZINC000773408696 723784163 /nfs/dbraw/zinc/78/41/63/723784163.db2.gz URACGSHSYKDGEG-OAHLLOKOSA-N -1 3 354.853 3.409 20 10 FGCDHM O=C(C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)N1CCCCC1 ZINC000775646886 724015458 /nfs/dbraw/zinc/01/54/58/724015458.db2.gz PJRHQCWYZVNLHL-UHFFFAOYSA-N -1 3 354.853 3.409 20 10 FGCDHM CCOc1c(Cl)cc(CNC(=O)c2cccc(O)c2[O-])cc1OC ZINC000776341695 724134259 /nfs/dbraw/zinc/13/42/59/724134259.db2.gz UMTQXLVQBKSNBQ-UHFFFAOYSA-N -1 3 351.786 3.089 20 10 FGCDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1Cl ZINC000776748758 724179177 /nfs/dbraw/zinc/17/91/77/724179177.db2.gz ZPJPZMAKKRHCRU-UHFFFAOYSA-N -1 3 354.815 3.113 20 10 FGCDHM [O-]c1c(Br)cccc1CNCc1ncnn1-c1ccccc1 ZINC000785525926 724919566 /nfs/dbraw/zinc/91/95/66/724919566.db2.gz IBJAVVVZJKIPET-UHFFFAOYSA-N -1 3 359.227 3.025 20 10 FGCDHM COC(=O)CN(CC[C@H](O)c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000808736590 725215470 /nfs/dbraw/zinc/21/54/70/725215470.db2.gz VTQNFNWHOOOQPN-SFHVURJKSA-N -1 3 363.841 3.144 20 10 FGCDHM CCNC(=O)OC[C@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000809691493 725259173 /nfs/dbraw/zinc/25/91/73/725259173.db2.gz NSWKDISLLPUFJD-CYBMUJFWSA-N -1 3 371.275 3.255 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000824820040 729359996 /nfs/dbraw/zinc/35/99/96/729359996.db2.gz YUCSJVPLPBUVSO-KRWDZBQOSA-N -1 3 364.239 3.434 20 10 FGCDHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NCc2cc(F)ccc2[O-])C1 ZINC000824871194 729363049 /nfs/dbraw/zinc/36/30/49/729363049.db2.gz CNBIZXYSWSXLRJ-CQSZACIVSA-N -1 3 360.376 3.266 20 10 FGCDHM Cc1cc([O-])c(CN2CCOC[C@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000824933557 729365550 /nfs/dbraw/zinc/36/55/50/729365550.db2.gz HDMZRBDJVFOJOS-PBHICJAKSA-N -1 3 351.830 3.272 20 10 FGCDHM CCC1(CC)CN(Cc2ccc(Br)cc2[O-])CC[S@]1=O ZINC000825537243 729386958 /nfs/dbraw/zinc/38/69/58/729386958.db2.gz SZWLTRYWEWIOKI-HXUWFJFHSA-N -1 3 360.317 3.278 20 10 FGCDHM CC(C)OCc1nc([C@H](C)NCc2ccc(Br)cc2[O-])no1 ZINC000825955390 729400888 /nfs/dbraw/zinc/40/08/88/729400888.db2.gz MDJDYECWATUADI-JTQLQIEISA-N -1 3 370.247 3.314 20 10 FGCDHM CCOC(=O)C[C@@H](NCc1cc(Br)ccc1[O-])C(F)(F)F ZINC000827006134 729421396 /nfs/dbraw/zinc/42/13/96/729421396.db2.gz MZFFNSCPBLTUAH-LLVKDONJSA-N -1 3 370.165 3.128 20 10 FGCDHM CC(C)c1nnc(CN[C@H](C)c2cc(Br)cc(F)c2[O-])[nH]1 ZINC000834869719 729840189 /nfs/dbraw/zinc/84/01/89/729840189.db2.gz FIJAKCVMGDQZLA-MRVPVSSYSA-N -1 3 357.227 3.386 20 10 FGCDHM CC[C@@H](Nc1cc(NS(C)(=O)=O)ccc1OC)c1ccc(F)cc1[O-] ZINC000834890235 729844084 /nfs/dbraw/zinc/84/40/84/729844084.db2.gz ZGTWSVLSQWAMKT-CQSZACIVSA-N -1 3 368.430 3.475 20 10 FGCDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2COC)cc1C ZINC000840914916 730190939 /nfs/dbraw/zinc/19/09/39/730190939.db2.gz ISGVCNJRGZUWNQ-UHFFFAOYSA-N -1 3 351.424 3.047 20 10 FGCDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC000841454441 730245133 /nfs/dbraw/zinc/24/51/33/730245133.db2.gz ZDJQLENTYFKSPJ-CABCVRRESA-N -1 3 368.499 3.051 20 10 FGCDHM CCc1nccn1[C@@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000843865977 730661865 /nfs/dbraw/zinc/66/18/65/730661865.db2.gz BHFURIWQPIEESL-NSHDSACASA-N -1 3 366.259 3.181 20 10 FGCDHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(O)cc1Cl ZINC000849308152 731245440 /nfs/dbraw/zinc/24/54/40/731245440.db2.gz HCJNAKBSLHSTIT-UHFFFAOYSA-N -1 3 357.863 3.316 20 10 FGCDHM CC(C)n1cc(C(C)(C)NCc2c([O-])cccc2Br)nn1 ZINC000858179488 732189700 /nfs/dbraw/zinc/18/97/00/732189700.db2.gz BFXKAEWEZCNOOV-UHFFFAOYSA-N -1 3 353.264 3.352 20 10 FGCDHM COc1ccc([C@H](CO)N(C)Cc2c([O-])cccc2Br)cc1 ZINC000862244455 732796547 /nfs/dbraw/zinc/79/65/47/732796547.db2.gz BCNIOAQMQFXWMQ-INIZCTEOSA-N -1 3 366.255 3.329 20 10 FGCDHM O=C(NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1)C1CCCCC1 ZINC000876649205 736126651 /nfs/dbraw/zinc/12/66/51/736126651.db2.gz OTTUNLBSOXNIAQ-UHFFFAOYSA-N -1 3 352.425 3.331 20 10 FGCDHM C[C@](CO)(NCc1cc(Cl)c(F)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000877691427 736706138 /nfs/dbraw/zinc/70/61/38/736706138.db2.gz LBESIKOSNLTBRO-MRXNPFEDSA-N -1 3 354.765 3.090 20 10 FGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(c2ccncn2)CC1 ZINC000894985778 742360907 /nfs/dbraw/zinc/36/09/07/742360907.db2.gz JBOUIWGROPXHCR-UHFFFAOYSA-N -1 3 366.234 3.463 20 10 FGCDHM C[C@@](CO)(NCc1cc(F)cc(F)c1[O-])c1cccc(Br)c1 ZINC000898167993 742751841 /nfs/dbraw/zinc/75/18/41/742751841.db2.gz SVDKFJLOWFSFBG-INIZCTEOSA-N -1 3 372.209 3.430 20 10 FGCDHM C[C@@H]1CS(=O)(=O)CCCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000902559957 743757963 /nfs/dbraw/zinc/75/79/63/743757963.db2.gz ZUGMPHDFQFDKBF-CYBMUJFWSA-N -1 3 363.479 3.026 20 10 FGCDHM C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000903397549 743844704 /nfs/dbraw/zinc/84/47/04/743844704.db2.gz OOMARUBMXOQJMC-VHSXEESVSA-N -1 3 369.252 3.124 20 10 FGCDHM [O-]c1cc2c(cc1CN[C@H](c1ncon1)c1ccc(Cl)cc1)OCO2 ZINC000122660107 495011539 /nfs/dbraw/zinc/01/15/39/495011539.db2.gz SRRGONYAGNKPNB-INIZCTEOSA-N -1 3 359.769 3.037 20 10 FGCDHM COc1ccc([C@@H](CCO)NCc2cc(Cl)cc(C(C)=O)c2[O-])cc1 ZINC000182394630 495546969 /nfs/dbraw/zinc/54/69/69/495546969.db2.gz LQTPWLZAWLNYOX-GOSISDBHSA-N -1 3 363.841 3.470 20 10 FGCDHM CCS(=O)(=O)c1c(Cl)cccc1CN(C)Cc1ccccc1[O-] ZINC000186907951 496204382 /nfs/dbraw/zinc/20/43/82/496204382.db2.gz UIGLTWOVPLSWME-UHFFFAOYSA-N -1 3 353.871 3.471 20 10 FGCDHM CO[C@@]1(C)C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C1(C)C ZINC000277584181 496819979 /nfs/dbraw/zinc/81/99/79/496819979.db2.gz GCHCRWAYHUAGDE-KSSFIOAISA-N -1 3 366.845 3.013 20 10 FGCDHM [O-]c1cccc(Cl)c1CNCc1cc(F)ccc1N1CCOCC1 ZINC000265842344 497192194 /nfs/dbraw/zinc/19/21/94/497192194.db2.gz GNVTUJMNGWQDJE-UHFFFAOYSA-N -1 3 350.821 3.311 20 10 FGCDHM CCOC(=O)[C@@H](NCc1cc(F)ccc1[O-])c1ccc(OC)c(F)c1 ZINC000189683143 497210865 /nfs/dbraw/zinc/21/08/65/497210865.db2.gz FRMJZLJIDDHCPD-KRWDZBQOSA-N -1 3 351.349 3.073 20 10 FGCDHM C[C@@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(F)cc1[O-] ZINC000277014022 497715325 /nfs/dbraw/zinc/71/53/25/497715325.db2.gz CJCFZGVHHWEVCQ-SNVBAGLBSA-N -1 3 357.834 3.439 20 10 FGCDHM CN(Cc1ncc(I)s1)Cc1ccccc1[O-] ZINC000289110201 498020046 /nfs/dbraw/zinc/02/00/46/498020046.db2.gz MVEBXUFWMSQANE-UHFFFAOYSA-N -1 3 360.220 3.085 20 10 FGCDHM C[C@@H](NCc1ncccc1N(C)C)c1ccc(Br)cc1[O-] ZINC000289652570 498232989 /nfs/dbraw/zinc/23/29/89/498232989.db2.gz GICMNLIPDUGPRT-LLVKDONJSA-N -1 3 350.260 3.467 20 10 FGCDHM CCOCc1nc([C@H](C)N[C@@H](C)c2cc(Br)ccc2[O-])no1 ZINC000290051092 498407678 /nfs/dbraw/zinc/40/76/78/498407678.db2.gz FBMSIULVILMUGL-UWVGGRQHSA-N -1 3 370.247 3.486 20 10 FGCDHM COc1ccccc1O[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000286747628 498496418 /nfs/dbraw/zinc/49/64/18/498496418.db2.gz ODMMFKNVOLOJPG-CQSZACIVSA-N -1 3 357.406 3.098 20 10 FGCDHM COc1c([O-])c(CNc2ccc(C(=O)NC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000290554231 498595644 /nfs/dbraw/zinc/59/56/44/498595644.db2.gz ZEHVYRYTMZRDDY-UHFFFAOYSA-N -1 3 359.382 3.059 20 10 FGCDHM CCCc1c(NC(=O)c2cccc(O)c2[O-])cnn1-c1cc(C)ccn1 ZINC000365760025 498629632 /nfs/dbraw/zinc/62/96/32/498629632.db2.gz WTVQSQUAFKUUAR-UHFFFAOYSA-N -1 3 352.394 3.192 20 10 FGCDHM C[C@@H](NCc1ccncc1OC[C@H]1CCOC1)c1ccc(F)c(F)c1[O-] ZINC000287408568 498744951 /nfs/dbraw/zinc/74/49/51/498744951.db2.gz RHZXJWTVLCPFBE-OLZOCXBDSA-N -1 3 364.392 3.332 20 10 FGCDHM CCOCc1nc([C@H](C)NCc2cc(Br)cc(C)c2[O-])no1 ZINC000290995658 498749844 /nfs/dbraw/zinc/74/98/44/498749844.db2.gz VNQYSHWIYKSVMY-JTQLQIEISA-N -1 3 370.247 3.233 20 10 FGCDHM C[C@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000367085842 499146833 /nfs/dbraw/zinc/14/68/33/499146833.db2.gz RNIDMSQSHCSWDX-LRDDRELGSA-N -1 3 360.841 3.336 20 10 FGCDHM CC[C@@H](NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(F)cc1[O-] ZINC000375836504 499560447 /nfs/dbraw/zinc/56/04/47/499560447.db2.gz CSAAAAYOPFXIFX-GXFFZTMASA-N -1 3 372.366 3.488 20 10 FGCDHM CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000376212580 499591525 /nfs/dbraw/zinc/59/15/25/499591525.db2.gz UURUKNTWTWDQFT-HZPDHXFCSA-N -1 3 367.287 3.130 20 10 FGCDHM CCC[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O)OCC ZINC000530196709 503870457 /nfs/dbraw/zinc/87/04/57/503870457.db2.gz FNQIPZLJHZZRJS-AWEZNQCLSA-N -1 3 354.834 3.015 20 10 FGCDHM COc1cc(Cl)c([N-]S(=O)(=O)c2cccc3nsnc32)cc1C ZINC000584551540 507405546 /nfs/dbraw/zinc/40/55/46/507405546.db2.gz MHDQAKRWGAESLQ-UHFFFAOYSA-N -1 3 369.855 3.463 20 10 FGCDHM Fc1cc(-c2nn[n-]n2)ccc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000737639852 598236246 /nfs/dbraw/zinc/23/62/46/598236246.db2.gz HAMOQEWOVFCNNL-UHFFFAOYSA-N -1 3 361.384 3.176 20 10 FGCDHM CCc1ccccc1NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736702512 598320577 /nfs/dbraw/zinc/32/05/77/598320577.db2.gz QZZFEAABYHKTGQ-UHFFFAOYSA-N -1 3 373.873 3.396 20 10 FGCDHM CCc1ccccc1NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736702512 598320578 /nfs/dbraw/zinc/32/05/78/598320578.db2.gz QZZFEAABYHKTGQ-UHFFFAOYSA-N -1 3 373.873 3.396 20 10 FGCDHM Fc1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)c(-c2nnn[n-]2)c1 ZINC000822778770 599468354 /nfs/dbraw/zinc/46/83/54/599468354.db2.gz NXDFVJOHMHSBKA-UHFFFAOYSA-N -1 3 361.384 3.176 20 10 FGCDHM Fc1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)c(-c2nn[n-]n2)c1 ZINC000822778770 599468355 /nfs/dbraw/zinc/46/83/55/599468355.db2.gz NXDFVJOHMHSBKA-UHFFFAOYSA-N -1 3 361.384 3.176 20 10 FGCDHM Cc1cc(C(=O)N[C@H](C)C2CCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258624 607912709 /nfs/dbraw/zinc/91/27/09/607912709.db2.gz QBAJIQPKQGAIEP-CYBMUJFWSA-N -1 3 364.453 3.193 20 10 FGCDHM C[C@H](N1CCN(Cc2cc(Br)ccc2[O-])CC1)C(F)(F)F ZINC000093882606 700455536 /nfs/dbraw/zinc/45/55/36/700455536.db2.gz QLWFOKGZNVBTRW-JTQLQIEISA-N -1 3 367.209 3.223 20 10 FGCDHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2O)sc1Br ZINC000158579949 705191092 /nfs/dbraw/zinc/19/10/92/705191092.db2.gz VKLNIBQYGAQQFI-UHFFFAOYSA-N -1 3 362.270 3.003 20 10 FGCDHM COCc1cccc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])c1 ZINC000179236573 705694049 /nfs/dbraw/zinc/69/40/49/705694049.db2.gz SNRWYCKUXFFDER-UHFFFAOYSA-N -1 3 363.841 3.367 20 10 FGCDHM CCC1(CC)CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000189128979 712786940 /nfs/dbraw/zinc/78/69/40/712786940.db2.gz GVSAPGAPBBPBHB-UHFFFAOYSA-N -1 3 368.499 3.196 20 10 FGCDHM C[C@@H]1CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCS1(=O)=O ZINC000191310838 712833881 /nfs/dbraw/zinc/83/38/81/712833881.db2.gz MUTWAWFFVOBFLZ-CYBMUJFWSA-N -1 3 363.479 3.026 20 10 FGCDHM COC(=O)CN(Cc1cc(F)cc(F)c1)Cc1cc(Cl)ccc1[O-] ZINC000769381562 723683871 /nfs/dbraw/zinc/68/38/71/723683871.db2.gz QAAOEMHXLGURCG-UHFFFAOYSA-N -1 3 355.768 3.499 20 10 FGCDHM Cc1nc(-c2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2Cl)n[nH]1 ZINC000781012962 724521153 /nfs/dbraw/zinc/52/11/53/724521153.db2.gz JNXWVRFXOQYEEJ-UHFFFAOYSA-N -1 3 358.785 3.405 20 10 FGCDHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(O)cc3C)cc2F)c1 ZINC000757656022 722977957 /nfs/dbraw/zinc/97/79/57/722977957.db2.gz MVRQGVYONNOASK-UHFFFAOYSA-N -1 3 361.398 3.135 20 10 FGCDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])Oc1ccc(Br)cc1 ZINC000790808800 723180592 /nfs/dbraw/zinc/18/05/92/723180592.db2.gz RVUHYNMXLUPXOP-SNVBAGLBSA-N -1 3 366.211 3.058 20 10 FGCDHM COc1cccc(C(=O)N2CCN(Cc3c([O-])cccc3Cl)CC2)c1 ZINC000768425386 723657327 /nfs/dbraw/zinc/65/73/27/723657327.db2.gz LVTXRJGKHLJWDR-UHFFFAOYSA-N -1 3 360.841 3.012 20 10 FGCDHM Cc1ccc(CC(=O)N2CCN(Cc3c([O-])cccc3Cl)CC2)cc1 ZINC000769301441 723681802 /nfs/dbraw/zinc/68/18/02/723681802.db2.gz RILREFIEXJHQKV-UHFFFAOYSA-N -1 3 358.869 3.241 20 10 FGCDHM CC[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCN1CC(F)F ZINC000769515006 723688441 /nfs/dbraw/zinc/68/84/41/723688441.db2.gz QDMNJRWGPABVEZ-CYBMUJFWSA-N -1 3 363.246 3.316 20 10 FGCDHM COc1c([O-])c(CN2CC3(CCCC3)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775106443 723961435 /nfs/dbraw/zinc/96/14/35/723961435.db2.gz HGAAEHCNUVVMSW-UHFFFAOYSA-N -1 3 350.415 3.233 20 10 FGCDHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NCc1cc(F)ccc1[O-] ZINC000798959690 723980446 /nfs/dbraw/zinc/98/04/46/723980446.db2.gz NFCHJUMDLWOWLQ-MRXNPFEDSA-N -1 3 351.805 3.449 20 10 FGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)ccc1O ZINC000776748420 724178717 /nfs/dbraw/zinc/17/87/17/724178717.db2.gz HMNJMPWEBHXAKE-UHFFFAOYSA-N -1 3 360.204 3.403 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCCN(CC(F)F)CC2)c1 ZINC000809757612 725265713 /nfs/dbraw/zinc/26/57/13/725265713.db2.gz QBKRDKJIWDZWAU-UHFFFAOYSA-N -1 3 363.246 3.236 20 10 FGCDHM [O-]c1c(F)cc(Cl)cc1CNCc1ccncc1OC[C@H]1CCOC1 ZINC000809783896 725268530 /nfs/dbraw/zinc/26/85/30/725268530.db2.gz NTFAYXHOVCPWOK-LBPRGKRZSA-N -1 3 366.820 3.285 20 10 FGCDHM O=[N+]([O-])c1ccn(C2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)n1 ZINC000816593597 727178943 /nfs/dbraw/zinc/17/89/43/727178943.db2.gz XJYGXMDLEJIGSL-UHFFFAOYSA-N -1 3 354.769 3.127 20 10 FGCDHM CC(C)n1cc(C(C)(C)NCc2cccc(Br)c2[O-])nn1 ZINC000817419856 727249927 /nfs/dbraw/zinc/24/99/27/727249927.db2.gz LMBRFNNGFBVLLH-UHFFFAOYSA-N -1 3 353.264 3.352 20 10 FGCDHM CCCc1nnc([N-]C(=O)c2csc(Cc3ccc(N)cc3)n2)s1 ZINC000817907890 727287751 /nfs/dbraw/zinc/28/77/51/727287751.db2.gz JAQBSUKGKCSOES-UHFFFAOYSA-N -1 3 359.480 3.372 20 10 FGCDHM Cc1ccncc1N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000825768680 729394850 /nfs/dbraw/zinc/39/48/50/729394850.db2.gz VGCPAFNEQMLLSD-UHFFFAOYSA-N -1 3 362.271 3.180 20 10 FGCDHM CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000843432753 730620863 /nfs/dbraw/zinc/62/08/63/730620863.db2.gz PCNBWNABXNAAHM-ZDUSSCGKSA-N -1 3 371.186 3.199 20 10 FGCDHM CC[C@H](NCc1nnn(C(C)(C)C)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000848561310 731181864 /nfs/dbraw/zinc/18/18/64/731181864.db2.gz VCEKUJCCJGIQQD-LBPRGKRZSA-N -1 3 357.380 3.393 20 10 FGCDHM CC1(C)C(=O)N[C@H]1C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000848919372 731220659 /nfs/dbraw/zinc/22/06/59/731220659.db2.gz XBZICZRAMPWLHN-HNNXBMFYSA-N -1 3 357.281 3.436 20 10 FGCDHM Cn1ncc(C2CCC2)c1CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000850391092 731351303 /nfs/dbraw/zinc/35/13/03/731351303.db2.gz DKJFOCHFLRRVHR-UHFFFAOYSA-N -1 3 350.806 3.245 20 10 FGCDHM COc1ccc(N(C)CCN(C)C(=O)c2cc(SC)ccc2[O-])cc1 ZINC000855019966 731887617 /nfs/dbraw/zinc/88/76/17/731887617.db2.gz CGUKMYIJRNEEJM-UHFFFAOYSA-N -1 3 360.479 3.331 20 10 FGCDHM [O-]c1cccc(Br)c1CN1CCCN(CC(F)(F)F)CC1 ZINC000862217980 732787745 /nfs/dbraw/zinc/78/77/45/732787745.db2.gz ZYPOJSHQIDFQBI-UHFFFAOYSA-N -1 3 367.209 3.225 20 10 FGCDHM [O-]c1cccc(Br)c1CN1CCN(c2cccc(F)n2)CC1 ZINC000862385909 732821435 /nfs/dbraw/zinc/82/14/35/732821435.db2.gz FZLDTYSMPFALON-UHFFFAOYSA-N -1 3 366.234 3.011 20 10 FGCDHM [O-]c1cccc(Br)c1CN1CCc2cc(Cl)nnc2C1 ZINC000862398421 732824547 /nfs/dbraw/zinc/82/45/47/732824547.db2.gz IIVKWDOTNQJRHI-UHFFFAOYSA-N -1 3 354.635 3.156 20 10 FGCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H](CCO)c2ccc(Cl)c(F)c2)c1 ZINC000865654987 733247042 /nfs/dbraw/zinc/24/70/42/733247042.db2.gz XYIXGDDSYCSJND-HNNXBMFYSA-N -1 3 354.765 3.306 20 10 FGCDHM CO[C@@H]1C[C@@H]2CN(Cc3cccc(Cl)c3[O-])Cc3cccnc3N2C1 ZINC000877688227 736705188 /nfs/dbraw/zinc/70/51/88/736705188.db2.gz RPMIIGCELVUKCV-HZPDHXFCSA-N -1 3 359.857 3.050 20 10 FGCDHM [O-]c1c(F)cc(F)cc1CN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000883108347 737524466 /nfs/dbraw/zinc/52/44/66/737524466.db2.gz DTHJOXDCKOBGLY-ZDUSSCGKSA-N -1 3 363.282 3.392 20 10 FGCDHM COc1ccc(CS(C)(=O)=O)cc1N[C@H](C)c1c([O-])cccc1F ZINC000886609070 739274527 /nfs/dbraw/zinc/27/45/27/739274527.db2.gz LJLVOIDILZPPHH-LLVKDONJSA-N -1 3 353.415 3.258 20 10 FGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@H](n2ccnc2)C1 ZINC000893993786 742224012 /nfs/dbraw/zinc/22/40/12/742224012.db2.gz HBOGJPWBJOUSBX-ZDUSSCGKSA-N -1 3 354.223 3.327 20 10 FGCDHM O=C(CC1CCCC1)NC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894017388 742227362 /nfs/dbraw/zinc/22/73/62/742227362.db2.gz OGDPIEYRJQHHHN-UHFFFAOYSA-N -1 3 352.425 3.331 20 10 FGCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897614040 742695527 /nfs/dbraw/zinc/69/55/27/742695527.db2.gz LZGMASKWAMAUNI-SECBINFHSA-N -1 3 359.298 3.469 20 10 FGCDHM Cn1nc(CNCc2c([O-])cccc2Br)cc1C(F)(F)F ZINC000898019476 742734351 /nfs/dbraw/zinc/73/43/51/742734351.db2.gz NDCJNTAMZRQEEN-UHFFFAOYSA-N -1 3 364.165 3.197 20 10 FGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 ZINC000901895177 743670799 /nfs/dbraw/zinc/67/07/99/743670799.db2.gz IDPZUKPVIRCRDM-UHFFFAOYSA-N -1 3 360.435 3.121 20 10 FGCDHM CCCOc1ccc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)c([O-])c1 ZINC000092040464 494766719 /nfs/dbraw/zinc/76/67/19/494766719.db2.gz GXECRCHMWFGKQJ-APWZRJJASA-N -1 3 361.438 3.099 20 10 FGCDHM CCOc1ccc([C@@H](C)NC(=O)CN(C)Cc2ccccc2[O-])cc1OC ZINC000109773206 494916692 /nfs/dbraw/zinc/91/66/92/494916692.db2.gz LINHFRKLPZPKBI-OAHLLOKOSA-N -1 3 372.465 3.109 20 10 FGCDHM Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094031658 494941344 /nfs/dbraw/zinc/94/13/44/494941344.db2.gz HWBOHBYKAZURAO-KRWDZBQOSA-N -1 3 374.462 3.049 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1c(C)noc1C ZINC000137250748 495432475 /nfs/dbraw/zinc/43/24/75/495432475.db2.gz YXFUXHDWKDNWPB-UHFFFAOYSA-N -1 3 353.216 3.422 20 10 FGCDHM Cc1cc(Cl)cc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c1[O-] ZINC000154949815 495782948 /nfs/dbraw/zinc/78/29/48/495782948.db2.gz DQLQRKOKNYJMKB-MRXNPFEDSA-N -1 3 353.871 3.230 20 10 FGCDHM CCCOc1ccc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)c([O-])c1 ZINC000154965920 495787841 /nfs/dbraw/zinc/78/78/41/495787841.db2.gz IFJPKINQUWEQKT-SFHVURJKSA-N -1 3 363.479 3.057 20 10 FGCDHM C[C@@H](NCc1cccc(N(C)C)n1)c1ccc(Br)cc1[O-] ZINC000186179665 495887314 /nfs/dbraw/zinc/88/73/14/495887314.db2.gz XQAGXCILQKDJHV-LLVKDONJSA-N -1 3 350.260 3.467 20 10 FGCDHM Cc1nc([C@H](NCc2cc3c(cc2[O-])OCO3)c2ccc(Cl)cc2)no1 ZINC000180198794 495902339 /nfs/dbraw/zinc/90/23/39/495902339.db2.gz VASKRXPGPGIYOT-QGZVFWFLSA-N -1 3 373.796 3.345 20 10 FGCDHM Nc1nc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)nc2ccccc12 ZINC000181461084 496406487 /nfs/dbraw/zinc/40/64/87/496406487.db2.gz NFMQNBWJFLAPOC-INIZCTEOSA-N -1 3 364.449 3.099 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCN([C@H](C)c3nccs3)CC2)c1[O-] ZINC000184634997 496473674 /nfs/dbraw/zinc/47/36/74/496473674.db2.gz QBTDEPFECJIRKS-GFCCVEGCSA-N -1 3 363.458 3.069 20 10 FGCDHM C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000187669469 496528384 /nfs/dbraw/zinc/52/83/84/496528384.db2.gz CMZGIOSNYOPRGN-MNOVXSKESA-N -1 3 355.406 3.486 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(N3CCCC3)nc2)c1 ZINC000273446130 496808576 /nfs/dbraw/zinc/80/85/76/496808576.db2.gz ZZMLVNMEHBLMOL-CQSZACIVSA-N -1 3 355.438 3.025 20 10 FGCDHM [O-]c1ccccc1CN(Cc1nncn1-c1ccccc1)C[C@H]1CCCO1 ZINC000277741989 496871851 /nfs/dbraw/zinc/87/18/51/496871851.db2.gz OXQWFIFOURPCDN-LJQANCHMSA-N -1 3 364.449 3.154 20 10 FGCDHM COc1cc(CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C2CC2)ccc1O ZINC000278506036 497137583 /nfs/dbraw/zinc/13/75/83/497137583.db2.gz OXNQAUPUARPTDU-UHFFFAOYSA-N -1 3 374.393 3.188 20 10 FGCDHM CCN1C(=O)CCc2cc(NCc3ccc([N+](=O)[O-])c(OC)c3[O-])ccc21 ZINC000278529394 497144134 /nfs/dbraw/zinc/14/41/34/497144134.db2.gz USHJGSBFWGYPLH-UHFFFAOYSA-N -1 3 371.393 3.220 20 10 FGCDHM COc1c([O-])c(CNc2cc(C(=O)NC3CC3)ccc2C)ccc1[N+](=O)[O-] ZINC000278571765 497155958 /nfs/dbraw/zinc/15/59/58/497155958.db2.gz CUXPBRGQMLZYEZ-UHFFFAOYSA-N -1 3 371.393 3.122 20 10 FGCDHM COc1c([O-])c(CNc2ccc(OCC(C)(C)O)cc2)ccc1[N+](=O)[O-] ZINC000278931138 497272143 /nfs/dbraw/zinc/27/21/43/497272143.db2.gz WFFSUMMGKDPZJZ-UHFFFAOYSA-N -1 3 362.382 3.071 20 10 FGCDHM CS[C@@H]1CCC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C1 ZINC000277279899 497793961 /nfs/dbraw/zinc/79/39/61/497793961.db2.gz JXFZFWKDNSRWIU-ZIAGYGMSSA-N -1 3 368.886 3.484 20 10 FGCDHM CCCN(CC(=O)Nc1cc(OC)ccc1OC)Cc1ccccc1[O-] ZINC000299655783 497883908 /nfs/dbraw/zinc/88/39/08/497883908.db2.gz PFVTUSHTYJMOQY-UHFFFAOYSA-N -1 3 358.438 3.260 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cnc(OC)c(Cl)c2)c1 ZINC000296425335 498039308 /nfs/dbraw/zinc/03/93/08/498039308.db2.gz LPPZJENWEUANLZ-JTQLQIEISA-N -1 3 350.802 3.087 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000289589252 498207847 /nfs/dbraw/zinc/20/78/47/498207847.db2.gz KJZVQRLGQQMHCP-JQWIXIFHSA-N -1 3 368.193 3.147 20 10 FGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@H]1CCC(F)(F)C1 ZINC000285841670 498216472 /nfs/dbraw/zinc/21/64/72/498216472.db2.gz BQFLVRQBCWWNSG-JTQLQIEISA-N -1 3 358.772 3.245 20 10 FGCDHM CC[C@@H](N[C@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1[O-] ZINC000285973400 498257521 /nfs/dbraw/zinc/25/75/21/498257521.db2.gz HFZJKDNIAXWOKZ-SJKOYZFVSA-N -1 3 366.458 3.241 20 10 FGCDHM CCn1nc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)cc1C1CC1 ZINC000286135218 498302200 /nfs/dbraw/zinc/30/22/00/498302200.db2.gz XRRGRMMDSMYTJV-UHFFFAOYSA-N -1 3 374.828 3.108 20 10 FGCDHM CCn1cnnc1[C@@H]1CN([C@H](C)c2ccc3ccccc3c2[O-])CCO1 ZINC000365525683 498513044 /nfs/dbraw/zinc/51/30/44/498513044.db2.gz CWPKKLMKOUOQTH-KDOFPFPSSA-N -1 3 352.438 3.291 20 10 FGCDHM CCCCN(Cc1ccccc1O)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000283109980 498782347 /nfs/dbraw/zinc/78/23/47/498782347.db2.gz ULUBJOJKXDHMQS-UHFFFAOYSA-N -1 3 357.454 3.266 20 10 FGCDHM COCCOCc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000291246509 498861498 /nfs/dbraw/zinc/86/14/98/498861498.db2.gz PAPVTGYLZREMJV-AWEZNQCLSA-N -1 3 360.410 3.314 20 10 FGCDHM Cc1occc1C(=O)NC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295233726 498951393 /nfs/dbraw/zinc/95/13/93/498951393.db2.gz DEZYMJXKXIQCSY-UHFFFAOYSA-N -1 3 366.820 3.481 20 10 FGCDHM CCCOc1ccc(CN2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)c([O-])c1 ZINC000372531583 499141024 /nfs/dbraw/zinc/14/10/24/499141024.db2.gz FUCLPBPETHJFFE-DLBZAZTESA-N -1 3 373.453 3.403 20 10 FGCDHM CN(Cc1c([O-])ccc(Cl)c1F)C1CCN(c2cnccn2)CC1 ZINC000370042842 499170164 /nfs/dbraw/zinc/17/01/64/499170164.db2.gz LRCTVLSRYJKIGO-UHFFFAOYSA-N -1 3 350.825 3.076 20 10 FGCDHM CC(C)c1nc(CN2CCCN(Cc3cc(Cl)ccc3[O-])CC2)no1 ZINC000371379870 499317785 /nfs/dbraw/zinc/31/77/85/499317785.db2.gz PNLCWPHLJHCTNN-UHFFFAOYSA-N -1 3 364.877 3.260 20 10 FGCDHM Cc1cnn(C2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)c1 ZINC000378349755 499505197 /nfs/dbraw/zinc/50/51/97/499505197.db2.gz POYOWNQEHXBXDQ-UHFFFAOYSA-N -1 3 350.806 3.296 20 10 FGCDHM Cc1ccc(C(=O)N(C)[C@@H](c2ccc(F)cc2)c2ncccn2)c([O-])c1O ZINC000378557910 499531420 /nfs/dbraw/zinc/53/14/20/499531420.db2.gz KOGNEKFUTFFWBK-INIZCTEOSA-N -1 3 367.380 3.197 20 10 FGCDHM COc1c([O-])c(CNCc2ncoc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000375718446 499548378 /nfs/dbraw/zinc/54/83/78/499548378.db2.gz KFZIPHACKSWYSX-UHFFFAOYSA-N -1 3 355.350 3.254 20 10 FGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nnc(-c2cccc(F)c2)s1 ZINC000375904897 499567069 /nfs/dbraw/zinc/56/70/69/499567069.db2.gz LORJJGLTPYDBIA-SECBINFHSA-N -1 3 359.382 3.246 20 10 FGCDHM Cc1cc(C(=O)N2CCCCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234416 598609837 /nfs/dbraw/zinc/60/98/37/598609837.db2.gz KUEYLSXKEYRYNY-UHFFFAOYSA-N -1 3 364.453 3.290 20 10 FGCDHM CCCCN(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736453925 598610326 /nfs/dbraw/zinc/61/03/26/598610326.db2.gz TZDIFODDYPEGTH-UHFFFAOYSA-N -1 3 352.442 3.146 20 10 FGCDHM Cc1cc(C(=O)N(C)[C@@H](C)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737228416 598610429 /nfs/dbraw/zinc/61/04/29/598610429.db2.gz YXRLIGFSIRUFAZ-ZDUSSCGKSA-N -1 3 364.453 3.145 20 10 FGCDHM Cc1cc(C(=O)Nc2ccc(C)cn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737358836 598611203 /nfs/dbraw/zinc/61/12/03/598611203.db2.gz ADUPTVILXNOTJK-UHFFFAOYSA-N -1 3 373.420 3.230 20 10 FGCDHM Cc1cc(C(=O)Nc2cccnc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822472449 599657337 /nfs/dbraw/zinc/65/73/37/599657337.db2.gz UFNNTROBTHGLBG-UHFFFAOYSA-N -1 3 373.420 3.230 20 10 FGCDHM COC(=O)c1cc2ccccc2c(C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c1[O-] ZINC000737679435 600279580 /nfs/dbraw/zinc/27/95/80/600279580.db2.gz ZHNQPSAYQAPGEH-QGZVFWFLSA-N -1 3 369.417 3.019 20 10 FGCDHM C[C@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000827718763 600743166 /nfs/dbraw/zinc/74/31/66/600743166.db2.gz XQGFRMFMRNJVGC-LIRRHRJNSA-N -1 3 358.413 3.139 20 10 FGCDHM CC[C@@H]1CN2CCCC[C@@H]2CN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000829163602 601253951 /nfs/dbraw/zinc/25/39/51/601253951.db2.gz YHEBJTYYRRRMLD-LRDXNBAQSA-N -1 3 359.426 3.146 20 10 FGCDHM CC(C)N1CCN(c2cccc(NC(=O)c3ccc(C(=O)[O-])cc3)c2)CC1 ZINC000833500486 604470956 /nfs/dbraw/zinc/47/09/56/604470956.db2.gz YQMGQURDHVUNGI-UHFFFAOYSA-N -1 3 367.449 3.168 20 10 FGCDHM Cc1cc(C(=O)N2CC[C@@H](C)[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167753 606581761 /nfs/dbraw/zinc/58/17/61/606581761.db2.gz HPUWLBFQIXHLQI-OCCSQVGLSA-N -1 3 364.453 3.145 20 10 FGCDHM COc1ccc2[nH]cc(C3=CCN(c4cnccc4-c4nnn[n-]4)CC3)c2c1 ZINC000826212446 607840577 /nfs/dbraw/zinc/84/05/77/607840577.db2.gz QTRZGLVHYNICGT-UHFFFAOYSA-N -1 3 373.420 3.045 20 10 FGCDHM COc1ccc2[nH]cc(C3=CCN(c4cnccc4-c4nn[n-]n4)CC3)c2c1 ZINC000826212446 607840578 /nfs/dbraw/zinc/84/05/78/607840578.db2.gz QTRZGLVHYNICGT-UHFFFAOYSA-N -1 3 373.420 3.045 20 10 FGCDHM Cc1cc(Br)cc(CNc2cccc(-c3nnn[n-]3)c2)c1O ZINC000826256506 609472407 /nfs/dbraw/zinc/47/24/07/609472407.db2.gz MNWILGZKWATSAD-UHFFFAOYSA-N -1 3 360.215 3.255 20 10 FGCDHM Cc1cc(Br)cc(CNc2cccc(-c3nn[n-]n3)c2)c1O ZINC000826256506 609472410 /nfs/dbraw/zinc/47/24/10/609472410.db2.gz MNWILGZKWATSAD-UHFFFAOYSA-N -1 3 360.215 3.255 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCN(c2ccc(O)cc2)CC1 ZINC000157879392 705166595 /nfs/dbraw/zinc/16/65/95/705166595.db2.gz AWVPWAHORXOSMK-UHFFFAOYSA-N -1 3 363.255 3.183 20 10 FGCDHM CCCCNC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177084195 705605233 /nfs/dbraw/zinc/60/52/33/705605233.db2.gz QGOTUXVKEGWDAS-CQSZACIVSA-N -1 3 366.889 3.377 20 10 FGCDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1I ZINC000302121787 713783051 /nfs/dbraw/zinc/78/30/51/713783051.db2.gz VBPISHXEDYKQRN-UHFFFAOYSA-N -1 3 369.158 3.263 20 10 FGCDHM COC(=O)CCC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000753388250 722897046 /nfs/dbraw/zinc/89/70/46/722897046.db2.gz KEOOABPRNDOGIK-UHFFFAOYSA-N -1 3 353.846 3.413 20 10 FGCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000758633324 722992749 /nfs/dbraw/zinc/99/27/49/722992749.db2.gz UYFJAOYDKQZURD-CQSZACIVSA-N -1 3 356.300 3.142 20 10 FGCDHM CCCCCS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000759048527 722998635 /nfs/dbraw/zinc/99/86/35/722998635.db2.gz KASJTBDXQAMORZ-INIZCTEOSA-N -1 3 374.934 3.120 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000790568388 723153957 /nfs/dbraw/zinc/15/39/57/723153957.db2.gz NCYNIQBZNSSPKI-YUMQZZPRSA-N -1 3 357.250 3.301 20 10 FGCDHM Cc1cc(Br)cc2c1CN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000790916508 723192848 /nfs/dbraw/zinc/19/28/48/723192848.db2.gz SRZSYKCEBHLQDK-UHFFFAOYSA-N -1 3 362.223 3.367 20 10 FGCDHM CS(=O)(=O)[C@H]1CCCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000763384709 723339541 /nfs/dbraw/zinc/33/95/41/723339541.db2.gz SZFIMXMZKNZDLJ-ZDUSSCGKSA-N -1 3 363.479 3.026 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN[C@H](c2nncn2C)C(C)C)c1 ZINC000796453857 723638364 /nfs/dbraw/zinc/63/83/64/723638364.db2.gz NERIXEVTIAGMDY-ZDUSSCGKSA-N -1 3 353.264 3.079 20 10 FGCDHM COc1ccccc1OCCN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768823888 723668278 /nfs/dbraw/zinc/66/82/78/723668278.db2.gz RQIDQBJGPBIVTO-UHFFFAOYSA-N -1 3 366.801 3.473 20 10 FGCDHM Cc1ccccc1CC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000769214767 723679674 /nfs/dbraw/zinc/67/96/74/723679674.db2.gz UZCNDNKEICSPJZ-UHFFFAOYSA-N -1 3 358.869 3.241 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2cc(C(=O)N(C)C)ccn2)c1 ZINC000769655096 723691489 /nfs/dbraw/zinc/69/14/89/723691489.db2.gz VKTMYOMZPYJXMH-UHFFFAOYSA-N -1 3 364.243 3.172 20 10 FGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1O ZINC000776748485 724178631 /nfs/dbraw/zinc/17/86/31/724178631.db2.gz KTNZQMSFYDHGFS-UHFFFAOYSA-N -1 3 362.451 3.486 20 10 FGCDHM Nc1nccc([C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC000809662887 725257481 /nfs/dbraw/zinc/25/74/81/725257481.db2.gz HEKITQGXUQKDIG-SNVBAGLBSA-N -1 3 353.253 3.451 20 10 FGCDHM O=C(CCNC(=O)c1cccc(O)c1[O-])Nc1cc(Cl)cc(Cl)c1 ZINC000818866917 727325589 /nfs/dbraw/zinc/32/55/89/727325589.db2.gz FPGFWNGFBWCPFE-UHFFFAOYSA-N -1 3 369.204 3.163 20 10 FGCDHM CC(C)(C)N1CCc2nc(NC(=O)c3c(F)ccc(O)c3[O-])sc2C1 ZINC000822434275 729174878 /nfs/dbraw/zinc/17/48/78/729174878.db2.gz QWCJTAVFNDSNPS-UHFFFAOYSA-N -1 3 365.430 3.102 20 10 FGCDHM [O-]c1cc(F)c(Cl)cc1CN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000824636533 729352258 /nfs/dbraw/zinc/35/22/58/729352258.db2.gz RSOVWRROCNDSFK-RDTXWAMCSA-N -1 3 353.796 3.485 20 10 FGCDHM CSC(C)(C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000830545029 729570144 /nfs/dbraw/zinc/57/01/44/729570144.db2.gz VXCVGKUTTKBZNX-AWEZNQCLSA-N -1 3 356.919 3.268 20 10 FGCDHM CC[C@@H](NCc1c([O-])ccc(Cl)c1F)C(=O)NCc1cccs1 ZINC000842748583 730539026 /nfs/dbraw/zinc/53/90/26/730539026.db2.gz QTYDDSVMUOHMDG-CYBMUJFWSA-N -1 3 356.850 3.431 20 10 FGCDHM [O-]c1cccc(Br)c1CNCc1cccnc1OCC(F)F ZINC000858154319 732186741 /nfs/dbraw/zinc/18/67/41/732186741.db2.gz CZPSQPXPYMOOKY-UHFFFAOYSA-N -1 3 373.197 3.483 20 10 FGCDHM Cc1csc(N2CCN(Cc3c([O-])cccc3Br)CC2)n1 ZINC000862221529 732788929 /nfs/dbraw/zinc/78/89/29/732788929.db2.gz XOPRAFXFIMQRHZ-UHFFFAOYSA-N -1 3 368.300 3.242 20 10 FGCDHM Cn1cc([C@@H](NCc2ccc(Br)cc2[O-])C(F)(F)F)cn1 ZINC000862364729 732816626 /nfs/dbraw/zinc/81/66/26/732816626.db2.gz GRMQGTFRBREQOS-GFCCVEGCSA-N -1 3 364.165 3.281 20 10 FGCDHM CC(C)OCc1nc([C@@H](C)NCc2c([O-])cccc2Br)no1 ZINC000862371047 732818419 /nfs/dbraw/zinc/81/84/19/732818419.db2.gz AUYVAOWLOATWJA-SNVBAGLBSA-N -1 3 370.247 3.314 20 10 FGCDHM COc1nn(C)cc1CN[C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000903339577 743838946 /nfs/dbraw/zinc/83/89/46/743838946.db2.gz ZBSHIWANSNHZGI-MRVPVSSYSA-N -1 3 374.666 3.401 20 10 FGCDHM CC(C)n1cc(Br)c(C(=O)NCc2c([O-])cccc2F)n1 ZINC000928709642 760241882 /nfs/dbraw/zinc/24/18/82/760241882.db2.gz KFXZXVDDAPOCAB-UHFFFAOYSA-N -1 3 356.195 3.001 20 10 FGCDHM CCCC(=O)NC[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000092707398 494722339 /nfs/dbraw/zinc/72/23/39/494722339.db2.gz HTTRGYOUCSNKLB-ZDUSSCGKSA-N -1 3 369.303 3.283 20 10 FGCDHM Cc1nc(C2CCN(Cc3cc(Br)ccc3[O-])CC2)no1 ZINC000092787557 494746265 /nfs/dbraw/zinc/74/62/65/494746265.db2.gz HOLIHROZIMGDHT-UHFFFAOYSA-N -1 3 352.232 3.226 20 10 FGCDHM Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092011281 494754485 /nfs/dbraw/zinc/75/44/85/494754485.db2.gz NNHDSWIZOQAQBG-MEDUHNTESA-N -1 3 370.280 3.378 20 10 FGCDHM Cc1cccc([C@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000094034577 494942204 /nfs/dbraw/zinc/94/22/04/494942204.db2.gz WNLJEICWAUNXEQ-QGZVFWFLSA-N -1 3 374.462 3.049 20 10 FGCDHM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000123889359 495202622 /nfs/dbraw/zinc/20/26/22/495202622.db2.gz XCZSCSKNULSWHQ-UHFFFAOYSA-N -1 3 360.435 3.119 20 10 FGCDHM Cc1ccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)c([O-])c1O ZINC000179464472 495601669 /nfs/dbraw/zinc/60/16/69/495601669.db2.gz LMBOPVSFPSOTAM-UHFFFAOYSA-N -1 3 354.406 3.171 20 10 FGCDHM CCCOc1ccc(C[NH2+]Cc2nnc(COc3ccccc3)[n-]2)c([O-])c1 ZINC000185756844 495714087 /nfs/dbraw/zinc/71/40/87/495714087.db2.gz DVHPCGFOAMQMGT-UHFFFAOYSA-N -1 3 368.437 3.168 20 10 FGCDHM COc1cc(OC)cc([C@H](NCc2cc(F)ccc2[O-])c2nccn2C)c1 ZINC000180913293 496196909 /nfs/dbraw/zinc/19/69/09/496196909.db2.gz OOCYKKOYMWMAMI-IBGZPJMESA-N -1 3 371.412 3.161 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000187083096 496285306 /nfs/dbraw/zinc/28/53/06/496285306.db2.gz OOWDUQPYXNFPIZ-QGZVFWFLSA-N -1 3 361.825 3.337 20 10 FGCDHM CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000185322426 496728999 /nfs/dbraw/zinc/72/89/99/496728999.db2.gz XFDUKFWJBGIDNO-NWDGAFQWSA-N -1 3 368.886 3.366 20 10 FGCDHM CCC1(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCOCC1 ZINC000277558761 496812033 /nfs/dbraw/zinc/81/20/33/496812033.db2.gz ZNDIZOGVXSVHDV-UHFFFAOYSA-N -1 3 366.845 3.017 20 10 FGCDHM COc1c([O-])c(CNc2cccc(NC(=O)C3CC3)c2)ccc1[N+](=O)[O-] ZINC000278325725 497075687 /nfs/dbraw/zinc/07/56/87/497075687.db2.gz YQDMJXDEMYLADK-UHFFFAOYSA-N -1 3 357.366 3.270 20 10 FGCDHM CO[C@@H]1CC[C@H]2OCCN(Cc3cc(Br)cc(C)c3[O-])[C@@H]2C1 ZINC000245945441 497580672 /nfs/dbraw/zinc/58/06/72/497580672.db2.gz VMUWOHAMHYOTQF-BZUAXINKSA-N -1 3 370.287 3.231 20 10 FGCDHM C[C@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(F)c(F)c1[O-] ZINC000191205356 497743813 /nfs/dbraw/zinc/74/38/13/497743813.db2.gz VYANVGXCCSWPJZ-STQMWFEESA-N -1 3 363.408 3.141 20 10 FGCDHM CC(=O)N1CCC(N(Cc2cncs2)Cc2cc(F)ccc2[O-])CC1 ZINC000292699796 498113706 /nfs/dbraw/zinc/11/37/06/498113706.db2.gz CGGYRKJDDUDAHE-UHFFFAOYSA-N -1 3 363.458 3.001 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289537470 498185292 /nfs/dbraw/zinc/18/52/92/498185292.db2.gz HWFHLDWBBQUBLP-CYBMUJFWSA-N -1 3 368.193 3.434 20 10 FGCDHM CS(=O)(=O)C[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000293751953 498477710 /nfs/dbraw/zinc/47/77/10/498477710.db2.gz YESDTIBQBHDJBF-OAHLLOKOSA-N -1 3 357.834 3.060 20 10 FGCDHM COc1cc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)ccc1F ZINC000290446168 498556198 /nfs/dbraw/zinc/55/61/98/498556198.db2.gz CNSAESHNFVZECU-UHFFFAOYSA-N -1 3 369.414 3.266 20 10 FGCDHM CC[C@@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc(F)cc1[O-] ZINC000286958617 498567994 /nfs/dbraw/zinc/56/79/94/498567994.db2.gz BVYZOLNDXBRXCJ-MRXNPFEDSA-N -1 3 370.432 3.267 20 10 FGCDHM [O-]c1ccc(F)c(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c1F ZINC000294244429 498631380 /nfs/dbraw/zinc/63/13/80/498631380.db2.gz MYVICFCJAOGLBX-UHFFFAOYSA-N -1 3 366.383 3.060 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(NC(=O)C3CCC3)CC2)c1[O-] ZINC000365878698 498683171 /nfs/dbraw/zinc/68/31/71/498683171.db2.gz CWODAWRUJJAEKC-UHFFFAOYSA-N -1 3 364.873 3.129 20 10 FGCDHM CC[C@@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1ccc(F)cc1[O-] ZINC000367631791 499219727 /nfs/dbraw/zinc/21/97/27/499219727.db2.gz FJWWXERVPQQJHD-OAHLLOKOSA-N -1 3 364.442 3.417 20 10 FGCDHM Cc1ccn(C2CCN(Cc3cc(Br)ccc3[O-])CC2)n1 ZINC000378351984 499505513 /nfs/dbraw/zinc/50/55/13/499505513.db2.gz VEJWCXFSOMMFJZ-UHFFFAOYSA-N -1 3 350.260 3.497 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN[C@H](c2nc[nH]n2)c2ccccc2)c1[O-] ZINC000375536559 499529796 /nfs/dbraw/zinc/52/97/96/499529796.db2.gz YIHFPDSXHDOZDX-INIZCTEOSA-N -1 3 356.813 3.246 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN[C@H](c2nnc[nH]2)c2ccccc2)c1[O-] ZINC000375536559 499529798 /nfs/dbraw/zinc/52/97/98/499529798.db2.gz YIHFPDSXHDOZDX-INIZCTEOSA-N -1 3 356.813 3.246 20 10 FGCDHM COc1cc(Cl)cc(CN2CCC[C@](O)(C(F)(F)F)CC2)c1[O-] ZINC000377622687 499711997 /nfs/dbraw/zinc/71/19/97/499711997.db2.gz HDJOSAFJHJANTR-CQSZACIVSA-N -1 3 353.768 3.334 20 10 FGCDHM CC[C@@H](c1ccccc1[O-])N1CCOC[C@H]1c1ncn(CC(F)(F)F)n1 ZINC000377667096 499717429 /nfs/dbraw/zinc/71/74/29/499717429.db2.gz AEEKGCVHKIMEEF-KBPBESRZSA-N -1 3 370.375 3.071 20 10 FGCDHM [O-]c1cc2c(cc1CN1CCc3c(cccc3C(F)(F)F)C1)[C@H](O)CO2 ZINC000530105098 503838721 /nfs/dbraw/zinc/83/87/21/503838721.db2.gz FRTPJZKVAJTCNP-QGZVFWFLSA-N -1 3 365.351 3.395 20 10 FGCDHM CCOc1ccc(F)c([N-]S(=O)(=O)c2cccc3nsnc32)c1F ZINC000533897910 503984376 /nfs/dbraw/zinc/98/43/76/503984376.db2.gz SHZIIPAVPKPFAW-UHFFFAOYSA-N -1 3 371.390 3.169 20 10 FGCDHM CCCN(CC)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736471239 598610159 /nfs/dbraw/zinc/61/01/59/598610159.db2.gz UFIHHPSQMRYDCR-UHFFFAOYSA-N -1 3 352.442 3.146 20 10 FGCDHM COc1cccc(CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1O ZINC000833735280 604675933 /nfs/dbraw/zinc/67/59/33/604675933.db2.gz IUOGYAPURNCQLP-OAHLLOKOSA-N -1 3 355.312 3.076 20 10 FGCDHM Cc1noc(C2CCN(Cc3cccc(Br)c3[O-])CC2)n1 ZINC000091835878 700426602 /nfs/dbraw/zinc/42/66/02/700426602.db2.gz JZUXGPQTSIBVCP-UHFFFAOYSA-N -1 3 352.232 3.226 20 10 FGCDHM C[C@@H]1[C@H](C)N(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCS1(=O)=O ZINC000122481305 700690637 /nfs/dbraw/zinc/69/06/37/700690637.db2.gz CCRXFRJGUKXZML-QWHCGFSZSA-N -1 3 363.479 3.025 20 10 FGCDHM COC(=O)CN(Cc1nc(C)c(C)s1)Cc1cc(Cl)ccc1[O-] ZINC000177742295 705637861 /nfs/dbraw/zinc/63/78/61/705637861.db2.gz VSYPAYYQUSXNPU-UHFFFAOYSA-N -1 3 354.859 3.294 20 10 FGCDHM Cc1cc(Br)c([O-])c([C@@H]2NC(=O)c3ccc(F)cc3N2)c1 ZINC000781554013 724574027 /nfs/dbraw/zinc/57/40/27/724574027.db2.gz GMTHVGCYZOBXPZ-AWEZNQCLSA-N -1 3 351.175 3.456 20 10 FGCDHM CCCNC(=O)CN(CCC)Cc1cc(C)cc(Br)c1[O-] ZINC000781903039 724610168 /nfs/dbraw/zinc/61/01/68/724610168.db2.gz WKOYSNTZIBXROE-UHFFFAOYSA-N -1 3 357.292 3.201 20 10 FGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cc(F)ccc1F ZINC000732203272 722482431 /nfs/dbraw/zinc/48/24/31/722482431.db2.gz UEZITDZHKQIDIA-UHFFFAOYSA-N -1 3 355.768 3.499 20 10 FGCDHM CCN(CC)C(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000750046033 722752759 /nfs/dbraw/zinc/75/27/59/722752759.db2.gz YVIBMYSVQBXYQP-UHFFFAOYSA-N -1 3 366.889 3.329 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cn3cc(Cl)ccc3n2)c1 ZINC000756391865 722963863 /nfs/dbraw/zinc/96/38/63/722963863.db2.gz HGOAQVSONALKTG-NSHDSACASA-N -1 3 359.813 3.331 20 10 FGCDHM O=C(Nc1cccc(CN2CCSCC2)c1)c1c(F)ccc(O)c1[O-] ZINC000789964028 723089272 /nfs/dbraw/zinc/08/92/72/723089272.db2.gz QHCJKPXTTPFPSC-UHFFFAOYSA-N -1 3 362.426 3.038 20 10 FGCDHM COCCn1cc2c(n1)[C@H](NCc1cc(Cl)cc(F)c1[O-])CCC2 ZINC000761227275 723134787 /nfs/dbraw/zinc/13/47/87/723134787.db2.gz YVGHOMTVNSVNID-OAHLLOKOSA-N -1 3 353.825 3.195 20 10 FGCDHM COC(=O)c1sc2ccccc2c1CNC(=O)c1cccc(O)c1[O-] ZINC000790645817 723163119 /nfs/dbraw/zinc/16/31/19/723163119.db2.gz GMCAJQATJZPXSG-UHFFFAOYSA-N -1 3 357.387 3.029 20 10 FGCDHM CC[C@H]1NC(=O)N(c2cccc(NCc3c([O-])cccc3Cl)c2)C1=O ZINC000793357898 723429010 /nfs/dbraw/zinc/42/90/10/723429010.db2.gz NOKQWCVOHKCKCO-OAHLLOKOSA-N -1 3 359.813 3.493 20 10 FGCDHM O=C(NCc1cccc(Br)c1[O-])c1cc(F)cc2nc[nH]c21 ZINC000765765241 723539272 /nfs/dbraw/zinc/53/92/72/723539272.db2.gz QHQMDRQCKOJJKU-UHFFFAOYSA-N -1 3 364.174 3.100 20 10 FGCDHM CCN1CCN(c2cccc(NC(=O)c3cccc(Cl)c3[O-])c2)CC1 ZINC000771637110 723739336 /nfs/dbraw/zinc/73/93/36/723739336.db2.gz ONUFCQQUXAQVBZ-UHFFFAOYSA-N -1 3 359.857 3.440 20 10 FGCDHM COCCN(Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774821657 723933075 /nfs/dbraw/zinc/93/30/75/723933075.db2.gz ULRJKDWLOUEUPL-UHFFFAOYSA-N -1 3 352.412 3.019 20 10 FGCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1ccc(-c2nnc[nH]2)cc1 ZINC000807840440 725172174 /nfs/dbraw/zinc/17/21/74/725172174.db2.gz CPPGUHFOBXEWBI-UHFFFAOYSA-N -1 3 363.204 3.414 20 10 FGCDHM COCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)cc1 ZINC000811703983 725377186 /nfs/dbraw/zinc/37/71/86/725377186.db2.gz NREBMHXPNBXVEJ-UHFFFAOYSA-N -1 3 365.451 3.264 20 10 FGCDHM CCN(Cc1nc(C(F)F)no1)Cc1cc(Br)ccc1[O-] ZINC000822660221 729206201 /nfs/dbraw/zinc/20/62/01/729206201.db2.gz ZJLNGPFPYSTXTA-UHFFFAOYSA-N -1 3 362.174 3.497 20 10 FGCDHM Cn1ncc2c1CC(C)(C)CN(Cc1cccc(Br)c1[O-])C2 ZINC000828017909 729438589 /nfs/dbraw/zinc/43/85/89/729438589.db2.gz BMVMTKKYOARTMH-UHFFFAOYSA-N -1 3 364.287 3.473 20 10 FGCDHM COc1cc(Br)cc(C[N@H+](CC(=O)[O-])CC(C)(C)C)c1[O-] ZINC000854243908 731807520 /nfs/dbraw/zinc/80/75/20/731807520.db2.gz HMNWQCHFPOOVLE-UHFFFAOYSA-N -1 3 360.248 3.096 20 10 FGCDHM COc1cc(Br)cc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1[O-] ZINC000854243908 731807531 /nfs/dbraw/zinc/80/75/31/731807531.db2.gz HMNWQCHFPOOVLE-UHFFFAOYSA-N -1 3 360.248 3.096 20 10 FGCDHM COC(=O)CN(Cc1cncc(Cl)c1)Cc1cc(Cl)ccc1[O-] ZINC000856730228 732047779 /nfs/dbraw/zinc/04/77/79/732047779.db2.gz AMKJPISIXMIXCU-UHFFFAOYSA-N -1 3 355.221 3.269 20 10 FGCDHM Cn1cc([C@@H](NCc2cc(Br)ccc2[O-])C(F)(F)F)cn1 ZINC000858163484 732187607 /nfs/dbraw/zinc/18/76/07/732187607.db2.gz HKZWPNODBVHDMS-GFCCVEGCSA-N -1 3 364.165 3.281 20 10 FGCDHM COc1ccccc1[C@@H]1CSCCCN1C(=O)c1cccc(O)c1[O-] ZINC000874922738 735946840 /nfs/dbraw/zinc/94/68/40/735946840.db2.gz PMFFFEJIRJYIEB-HNNXBMFYSA-N -1 3 359.447 3.427 20 10 FGCDHM CC(C)(C)CN1C(=O)C(C)(C)N[C@H]1c1cc(Br)ccc1[O-] ZINC000877857723 736736423 /nfs/dbraw/zinc/73/64/23/736736423.db2.gz YSDXEDKSMHKEKL-CYBMUJFWSA-N -1 3 355.276 3.410 20 10 FGCDHM [O-]c1c(F)cc(F)cc1CNCc1cc2c(cc1OC(F)F)OCO2 ZINC000883037593 737514533 /nfs/dbraw/zinc/51/45/33/737514533.db2.gz DLJGXEDUDGSCLH-UHFFFAOYSA-N -1 3 359.275 3.290 20 10 FGCDHM C[C@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1c([O-])cccc1F ZINC000886587966 739272890 /nfs/dbraw/zinc/27/28/90/739272890.db2.gz IVMINLSNZICESU-NSHDSACASA-N -1 3 350.415 3.027 20 10 FGCDHM COc1ccc(CS(C)(=O)=O)cc1N[C@@H](C)c1c([O-])cccc1F ZINC000886609071 739274664 /nfs/dbraw/zinc/27/46/64/739274664.db2.gz LJLVOIDILZPPHH-NSHDSACASA-N -1 3 353.415 3.258 20 10 FGCDHM CC(=O)N1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])c2ccc(F)cc2C1 ZINC000185350258 495542881 /nfs/dbraw/zinc/54/28/81/495542881.db2.gz HEXJIXNNVIBQSG-GOSISDBHSA-N -1 3 373.384 3.023 20 10 FGCDHM C[C@H](NCc1cccc(Cl)c1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180084622 495850769 /nfs/dbraw/zinc/85/07/69/495850769.db2.gz ARRFPZQIONUEOT-LBPRGKRZSA-N -1 3 368.886 3.147 20 10 FGCDHM COc1ccc(N[C@@H](C)c2cc(F)ccc2[O-])cc1OCC(=O)NC1CC1 ZINC000186266261 495920704 /nfs/dbraw/zinc/92/07/04/495920704.db2.gz ODJQMXRIMBYXCX-LBPRGKRZSA-N -1 3 374.412 3.370 20 10 FGCDHM C[S@@](=O)C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000182107586 496671799 /nfs/dbraw/zinc/67/17/99/496671799.db2.gz WDYWXXBQESBHDO-LFPIHBKWSA-N -1 3 368.842 3.163 20 10 FGCDHM C[C@H](NCc1cccnc1OCC(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273480082 496818301 /nfs/dbraw/zinc/81/83/01/496818301.db2.gz LVQDFSPTSQONKS-JTQLQIEISA-N -1 3 353.325 3.190 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccn(CCc3ccncc3)n2)c1 ZINC000273545378 496835766 /nfs/dbraw/zinc/83/57/66/496835766.db2.gz ZFAHENYLKXNFFJ-CQSZACIVSA-N -1 3 366.421 3.186 20 10 FGCDHM COc1c([O-])c(CNc2cccc(N3CCOC3=O)c2C)ccc1[N+](=O)[O-] ZINC000278104993 497006676 /nfs/dbraw/zinc/00/66/76/497006676.db2.gz AEAUPYVXGMKJDQ-UHFFFAOYSA-N -1 3 373.365 3.186 20 10 FGCDHM Cn1cc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)c(C(F)F)n1 ZINC000274524855 497117564 /nfs/dbraw/zinc/11/75/64/497117564.db2.gz ZKFBPGJANIIOEK-HNNXBMFYSA-N -1 3 351.397 3.245 20 10 FGCDHM COC(=O)CCc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278518651 497140614 /nfs/dbraw/zinc/14/06/14/497140614.db2.gz RMJLMQDOLAGGDC-UHFFFAOYSA-N -1 3 360.366 3.027 20 10 FGCDHM COC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(Cl)cc1 ZINC000278841863 497239590 /nfs/dbraw/zinc/23/95/90/497239590.db2.gz ZRRAXUDPGJYFAH-AWEZNQCLSA-N -1 3 366.801 3.440 20 10 FGCDHM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccc(O)c1[O-] ZINC000192986721 497266851 /nfs/dbraw/zinc/26/68/51/497266851.db2.gz WYTRZEGYHMCDJH-UHFFFAOYSA-N -1 3 351.406 3.193 20 10 FGCDHM COc1c([O-])c(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278938325 497274238 /nfs/dbraw/zinc/27/42/38/497274238.db2.gz XHSBPLONIMFVRX-IRXDYDNUSA-N -1 3 358.394 3.319 20 10 FGCDHM O=C(Cc1ccc(NCc2c([O-])cccc2Cl)cc1)N1CCOCC1 ZINC000266211405 497281711 /nfs/dbraw/zinc/28/17/11/497281711.db2.gz OKDSWLTWRAPRPR-UHFFFAOYSA-N -1 3 360.841 3.059 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000271249952 497302026 /nfs/dbraw/zinc/30/20/26/497302026.db2.gz DHPWGTNUTOTMMN-FZMZJTMJSA-N -1 3 371.275 3.254 20 10 FGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000191331195 497782814 /nfs/dbraw/zinc/78/28/14/497782814.db2.gz UAEOEHCWQLBNNK-LLVKDONJSA-N -1 3 350.825 3.102 20 10 FGCDHM CS[C@H]1CCC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C1 ZINC000277279896 497793512 /nfs/dbraw/zinc/79/35/12/497793512.db2.gz JXFZFWKDNSRWIU-KGLIPLIRSA-N -1 3 368.886 3.484 20 10 FGCDHM Cc1ccc([C@@H](NCc2cc(F)ccc2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000280839897 497919497 /nfs/dbraw/zinc/91/94/97/497919497.db2.gz YDWFMHMQJMRJRE-ACJLOTCBSA-N -1 3 351.443 3.104 20 10 FGCDHM COCCn1ncc2c1[C@@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])CCC2 ZINC000364798665 498149295 /nfs/dbraw/zinc/14/92/95/498149295.db2.gz ZPWLRELSZGQCOB-NHYWBVRUSA-N -1 3 351.397 3.242 20 10 FGCDHM [O-]c1c(Cl)cc(Cl)cc1CN[C@@]1(CO)CCOc2ccccc21 ZINC000282399483 498494674 /nfs/dbraw/zinc/49/46/74/498494674.db2.gz POOBEHMYBURWMD-QGZVFWFLSA-N -1 3 354.233 3.459 20 10 FGCDHM CCN1CCN(c2cccc(NC(=O)c3c(F)ccc([O-])c3F)c2)CC1 ZINC000290632545 498627314 /nfs/dbraw/zinc/62/73/14/498627314.db2.gz YBQZTNSRIJATFH-UHFFFAOYSA-N -1 3 361.392 3.065 20 10 FGCDHM CCOC(=O)C1(C(=O)c2ccccc2)CCN(Cc2ccccc2[O-])CC1 ZINC000294884460 498837158 /nfs/dbraw/zinc/83/71/58/498837158.db2.gz VWJPQHKXCMARLF-UHFFFAOYSA-N -1 3 367.445 3.420 20 10 FGCDHM C[C@H](NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(F)cc1[O-] ZINC000369902053 499148644 /nfs/dbraw/zinc/14/86/44/499148644.db2.gz KCEQSPOANMNRIJ-UWVGGRQHSA-N -1 3 358.339 3.098 20 10 FGCDHM O=C(Nc1nccs1)C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000372398548 499429103 /nfs/dbraw/zinc/42/91/03/499429103.db2.gz PSZKPQSHXQQSLG-UHFFFAOYSA-N -1 3 351.859 3.353 20 10 FGCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436965163 500581047 /nfs/dbraw/zinc/58/10/47/500581047.db2.gz NHKYVDIEUNVRBP-UHFFFAOYSA-N -1 3 352.434 3.376 20 10 FGCDHM CCn1nncc1CN[C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000527913556 503996749 /nfs/dbraw/zinc/99/67/49/503996749.db2.gz AONDXYWHURUMAU-MRVPVSSYSA-N -1 3 359.655 3.270 20 10 FGCDHM Cc1cc(C(=O)Nc2cnccc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737445537 598234894 /nfs/dbraw/zinc/23/48/94/598234894.db2.gz QNGCEDSFLSWWMJ-UHFFFAOYSA-N -1 3 373.420 3.230 20 10 FGCDHM Cc1cc(C(=O)NC2CCCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235244 598609534 /nfs/dbraw/zinc/60/95/34/598609534.db2.gz RSFRCTPLDHBEHI-UHFFFAOYSA-N -1 3 364.453 3.337 20 10 FGCDHM Cc1cc(C(=O)N(C)CCC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737228021 598610460 /nfs/dbraw/zinc/61/04/60/598610460.db2.gz RXMOWBLQUSWLIS-UHFFFAOYSA-N -1 3 366.469 3.392 20 10 FGCDHM Cc1cc(C(=O)NC[C@H]2CC2(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235091 598769631 /nfs/dbraw/zinc/76/96/31/598769631.db2.gz QJPKJQDPGHGDJX-OAHLLOKOSA-N -1 3 364.453 3.050 20 10 FGCDHM O=C([O-])/C=C\c1ccc(N2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000833196366 604281721 /nfs/dbraw/zinc/28/17/21/604281721.db2.gz RVWUVGSULCSAKG-CLFYSBASSA-N -1 3 359.426 3.147 20 10 FGCDHM CCC[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000829496895 604769938 /nfs/dbraw/zinc/76/99/38/604769938.db2.gz URLUYSGKNGZGBL-IBGZPJMESA-N -1 3 359.422 3.447 20 10 FGCDHM CCC[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000829496895 604769940 /nfs/dbraw/zinc/76/99/40/604769940.db2.gz URLUYSGKNGZGBL-IBGZPJMESA-N -1 3 359.422 3.447 20 10 FGCDHM Cc1cc(Br)cc(CN2CC[C@@H](NC(=O)[O-])C[C@@H]2C)c1O ZINC000833897386 605996095 /nfs/dbraw/zinc/99/60/95/605996095.db2.gz JRIASVAXYZPQOK-GXFFZTMASA-N -1 3 357.248 3.084 20 10 FGCDHM O=C(Cc1ccccc1F)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000092535792 700437318 /nfs/dbraw/zinc/43/73/18/700437318.db2.gz WWUUJHBUSGPFLY-UHFFFAOYSA-N -1 3 362.832 3.072 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCC(OC[C@H]2CCCO2)CC1 ZINC000092662035 700439517 /nfs/dbraw/zinc/43/95/17/700439517.db2.gz SXHSQFWQLOTWOL-OAHLLOKOSA-N -1 3 370.287 3.315 20 10 FGCDHM [O-]c1cccc(Br)c1CN1CCO[C@@H](CC(F)(F)F)C1 ZINC000707161859 722412283 /nfs/dbraw/zinc/41/22/83/722412283.db2.gz VBCALIYSZOJIGA-VIFPVBQESA-N -1 3 354.166 3.308 20 10 FGCDHM O=C(CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-])Nc1ccc(Cl)cc1 ZINC000725849923 722424765 /nfs/dbraw/zinc/42/47/65/722424765.db2.gz XREFETMWKGLGPI-UHFFFAOYSA-N -1 3 370.192 3.336 20 10 FGCDHM Cc1ccnc(C2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)n1 ZINC000757927868 722981387 /nfs/dbraw/zinc/98/13/87/722981387.db2.gz AFQPCSQMLJBEBE-UHFFFAOYSA-N -1 3 362.817 3.432 20 10 FGCDHM CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(O)c1[O-] ZINC000790474166 723143608 /nfs/dbraw/zinc/14/36/08/723143608.db2.gz RAQRNKDYCVMOID-UHFFFAOYSA-N -1 3 369.204 3.115 20 10 FGCDHM O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1cccc(O)c1[O-] ZINC000790804475 723180208 /nfs/dbraw/zinc/18/02/08/723180208.db2.gz VZEUUFLJWWMBBI-UHFFFAOYSA-N -1 3 361.810 3.446 20 10 FGCDHM CN(C)C(=O)C[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000790956967 723199312 /nfs/dbraw/zinc/19/93/12/723199312.db2.gz ZGVOVUNVQVLQKX-OAHLLOKOSA-N -1 3 350.821 3.494 20 10 FGCDHM CS(=O)(=O)[C@@H]1CCCN(Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000763379677 723339060 /nfs/dbraw/zinc/33/90/60/723339060.db2.gz CZLAKWLZENPYHF-CQSZACIVSA-N -1 3 359.447 3.301 20 10 FGCDHM CC[C@@H]1CN(Cc2cccc(Br)c2[O-])[C@@H](CC)CN1C(C)=O ZINC000769499207 723687459 /nfs/dbraw/zinc/68/74/59/723687459.db2.gz OSKRZCMINRZAII-LSDHHAIUSA-N -1 3 369.303 3.376 20 10 FGCDHM CC(C)SCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771065167 723727233 /nfs/dbraw/zinc/72/72/33/723727233.db2.gz LXYMNUPZZYYXNU-OAHLLOKOSA-N -1 3 356.919 3.268 20 10 FGCDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)ccc1F ZINC000775292182 723977708 /nfs/dbraw/zinc/97/77/08/723977708.db2.gz UJUSRVCPIAVKOG-UHFFFAOYSA-N -1 3 367.398 3.044 20 10 FGCDHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000775292392 723977714 /nfs/dbraw/zinc/97/77/14/723977714.db2.gz ZLNJGSCTVPLLDS-UHFFFAOYSA-N -1 3 362.451 3.101 20 10 FGCDHM [O-]c1ccc(Br)cc1CNCc1ncnn1-c1ccccc1 ZINC000785527605 724919922 /nfs/dbraw/zinc/91/99/22/724919922.db2.gz YQLFBQXKBPTSED-UHFFFAOYSA-N -1 3 359.227 3.025 20 10 FGCDHM C[C@@H](Nc1ccc(N(C)CCO)cn1)c1cccc(C(F)(F)F)c1[O-] ZINC000788702196 725082132 /nfs/dbraw/zinc/08/21/32/725082132.db2.gz HIFWJSNCJVMKIX-LLVKDONJSA-N -1 3 355.360 3.408 20 10 FGCDHM C[C@@H](Nc1cccc(OCC(N)=O)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815602336 727086029 /nfs/dbraw/zinc/08/60/29/727086029.db2.gz WVGHXXUUUZCZFU-SNVBAGLBSA-N -1 3 354.328 3.448 20 10 FGCDHM O=C(NCC(F)(F)F)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816491328 727167514 /nfs/dbraw/zinc/16/75/14/727167514.db2.gz ILNNCGHKQBYRLE-UHFFFAOYSA-N -1 3 368.758 3.075 20 10 FGCDHM O=C1NCCCN(Cc2cc(Cl)c(F)cc2[O-])[C@@H]1Cc1ccccc1 ZINC000816641371 727183478 /nfs/dbraw/zinc/18/34/78/727183478.db2.gz PNJSRQFWOZGJCS-QGZVFWFLSA-N -1 3 362.832 3.118 20 10 FGCDHM Cc1cc(O)c(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000824593034 729349347 /nfs/dbraw/zinc/34/93/47/729349347.db2.gz JSYKDMIUFLEESU-UHFFFAOYSA-N -1 3 360.841 3.018 20 10 FGCDHM O=C(Nc1nc2c(s1)CC1(CCOCC1)CC2)c1cccc(O)c1[O-] ZINC000836997172 729985471 /nfs/dbraw/zinc/98/54/71/729985471.db2.gz FUWHNJNNDKYUMQ-UHFFFAOYSA-N -1 3 360.435 3.092 20 10 FGCDHM [O-]c1cccc(Br)c1CN1CCOc2cc(O)ccc2C1 ZINC000862365368 732816246 /nfs/dbraw/zinc/81/62/46/732816246.db2.gz QFZOSGZFOFKLDT-UHFFFAOYSA-N -1 3 350.212 3.255 20 10 FGCDHM C[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1c([O-])cccc1F ZINC000886520398 739264723 /nfs/dbraw/zinc/26/47/23/739264723.db2.gz DAAUAUNHQMAHGX-QWHCGFSZSA-N -1 3 366.458 3.193 20 10 FGCDHM C[C@]1(C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)COC(=O)N1 ZINC000896461880 742556049 /nfs/dbraw/zinc/55/60/49/742556049.db2.gz YDDWZINYBDUBGS-MRXNPFEDSA-N -1 3 359.253 3.410 20 10 FGCDHM CCS(=O)(=O)c1c(Cl)cccc1CNCc1c([O-])cccc1F ZINC000896637540 742575377 /nfs/dbraw/zinc/57/53/77/742575377.db2.gz ORPWPSZBVJLPKX-UHFFFAOYSA-N -1 3 357.834 3.268 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](c3nncn3C3CC3)C2)c1[O-] ZINC000091631586 494633984 /nfs/dbraw/zinc/63/39/84/494633984.db2.gz AEZSECKXJDDBJS-ZDUSSCGKSA-N -1 3 358.417 3.040 20 10 FGCDHM CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000116459347 494791675 /nfs/dbraw/zinc/79/16/75/494791675.db2.gz CSRSDXYALUAPOA-CYBMUJFWSA-N -1 3 368.499 3.052 20 10 FGCDHM Cn1ccnc1[C@@H](O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093454752 494892551 /nfs/dbraw/zinc/89/25/51/494892551.db2.gz WFGAKTBGKNIHRS-INIZCTEOSA-N -1 3 370.280 3.378 20 10 FGCDHM Cc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c([O-])c1O ZINC000182853661 495728323 /nfs/dbraw/zinc/72/83/23/495728323.db2.gz BDQCFUANDJRCJA-NVXWUHKLSA-N -1 3 359.397 3.274 20 10 FGCDHM CCc1nn(C)c(OC)c1CN[C@H](C)c1cc(Br)ccc1[O-] ZINC000185866048 495757307 /nfs/dbraw/zinc/75/73/07/495757307.db2.gz GZQJZQXHLSHIAH-SNVBAGLBSA-N -1 3 368.275 3.310 20 10 FGCDHM C[C@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(Br)cc1[O-] ZINC000186028131 495826901 /nfs/dbraw/zinc/82/69/01/495826901.db2.gz CICSMAZGCNVKFI-JTQLQIEISA-N -1 3 364.305 3.019 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCCN(C(=O)c3ccccc3)CC2)c1[O-] ZINC000175576841 496449112 /nfs/dbraw/zinc/44/91/12/496449112.db2.gz UWZVKZSVTWEWEG-UHFFFAOYSA-N -1 3 370.424 3.082 20 10 FGCDHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000163693418 496547327 /nfs/dbraw/zinc/54/73/27/496547327.db2.gz QOOHOFAQTCKTNX-MRXNPFEDSA-N -1 3 374.412 3.128 20 10 FGCDHM C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2[O-])CC[S@@](=O)C1 ZINC000277402641 496762357 /nfs/dbraw/zinc/76/23/57/496762357.db2.gz HWHQZOKIVIZJPY-IVCQMTBJSA-N -1 3 359.491 3.172 20 10 FGCDHM C[C@@H](Nc1cnn(CC(=O)NC2CC2)c1)c1ccc2ccccc2c1[O-] ZINC000273388010 496791044 /nfs/dbraw/zinc/79/10/44/496791044.db2.gz DAHYADXEZOSGCK-CYBMUJFWSA-N -1 3 350.422 3.194 20 10 FGCDHM CO[C@]1(C)C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C1(C)C ZINC000277584154 496820485 /nfs/dbraw/zinc/82/04/85/496820485.db2.gz GCHCRWAYHUAGDE-KBXCAEBGSA-N -1 3 366.845 3.013 20 10 FGCDHM C[C@@H](NCc1ccc(N2CCOC2=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273493839 496821706 /nfs/dbraw/zinc/82/17/06/496821706.db2.gz XJGUWYBBJAVSPO-GFCCVEGCSA-N -1 3 357.366 3.108 20 10 FGCDHM C[C@H]1CCN(Cc2ccc(OCc3ccccc3)cc2[O-])CC[S@@]1=O ZINC000277699373 496857969 /nfs/dbraw/zinc/85/79/69/496857969.db2.gz RFJCIDVJCHXSDW-LMKMVOKYSA-N -1 3 359.491 3.314 20 10 FGCDHM COc1c([O-])c(CNCc2ccc(OC3CCCC3)nc2)ccc1[N+](=O)[O-] ZINC000278568264 497154024 /nfs/dbraw/zinc/15/40/24/497154024.db2.gz CIOYNAMKWVRHFF-UHFFFAOYSA-N -1 3 373.409 3.315 20 10 FGCDHM C[C@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1cc(Cl)ccc1[O-] ZINC000278561074 497154055 /nfs/dbraw/zinc/15/40/55/497154055.db2.gz WQDRCPKSAGHVTC-LBPRGKRZSA-N -1 3 372.860 3.391 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCC[C@@H](C)OC ZINC000266776279 497417556 /nfs/dbraw/zinc/41/75/56/497417556.db2.gz GDDDNYXWKOLBLA-LLVKDONJSA-N -1 3 359.264 3.111 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000279894081 497579612 /nfs/dbraw/zinc/57/96/12/497579612.db2.gz SXTZIACLKNFMIG-AWEZNQCLSA-N -1 3 370.453 3.283 20 10 FGCDHM CCCc1cnc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)s1 ZINC000286054020 498279576 /nfs/dbraw/zinc/27/95/76/498279576.db2.gz OVUWLCYHTGNNBK-UHFFFAOYSA-N -1 3 365.842 3.423 20 10 FGCDHM CN(Cc1c([O-])ccc(Cl)c1F)C1CCN(c2ncccn2)CC1 ZINC000365259697 498377909 /nfs/dbraw/zinc/37/79/09/498377909.db2.gz QWXYXXNHQYELQB-UHFFFAOYSA-N -1 3 350.825 3.076 20 10 FGCDHM CC(C)(CO)[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccnc1 ZINC000293657615 498443607 /nfs/dbraw/zinc/44/36/07/498443607.db2.gz NPQBZAMERQVYFA-MRXNPFEDSA-N -1 3 365.817 3.198 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000365560973 498532491 /nfs/dbraw/zinc/53/24/91/498532491.db2.gz AJHPDLDDICOIGZ-NSHDSACASA-N -1 3 356.353 3.398 20 10 FGCDHM C[C@H](NCc1ncnn1C(C)(C)C)c1ccc(Br)cc1[O-] ZINC000282944124 498720728 /nfs/dbraw/zinc/72/07/28/498720728.db2.gz YYHCLHMUEHSYCH-JTQLQIEISA-N -1 3 353.264 3.352 20 10 FGCDHM CC[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(Cl)c1[O-] ZINC000287547418 498793914 /nfs/dbraw/zinc/79/39/14/498793914.db2.gz FKBAVYJALBXJPG-RYUDHWBXSA-N -1 3 350.768 3.250 20 10 FGCDHM CC[C@@H](NCc1cccnc1N1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287565254 498799076 /nfs/dbraw/zinc/79/90/76/498799076.db2.gz GKHTXANMUOKMPV-GOSISDBHSA-N -1 3 374.916 3.433 20 10 FGCDHM COc1ccc(N2CCC(N(C)C(=O)c3cc(OC)ccc3[O-])CC2)cc1 ZINC000363448353 498826968 /nfs/dbraw/zinc/82/69/68/498826968.db2.gz FPKWOANQUMHZDU-UHFFFAOYSA-N -1 3 370.449 3.150 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000284239018 499073701 /nfs/dbraw/zinc/07/37/01/499073701.db2.gz DYDCQIZJZMCCNE-LIRRHRJNSA-N -1 3 372.465 3.141 20 10 FGCDHM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000370621913 499236391 /nfs/dbraw/zinc/23/63/91/499236391.db2.gz JGTNTLGUNTUZAU-LLVKDONJSA-N -1 3 366.824 3.246 20 10 FGCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC23CCCCCC3)c1 ZINC000371424590 499325231 /nfs/dbraw/zinc/32/52/31/499325231.db2.gz OZPYXXYFMFYCDI-UHFFFAOYSA-N -1 3 366.483 3.093 20 10 FGCDHM Cc1cnn(C2CCN(Cc3cc(Br)ccc3[O-])CC2)c1 ZINC000369383599 499398036 /nfs/dbraw/zinc/39/80/36/499398036.db2.gz MIEQRYGYZXFKOE-UHFFFAOYSA-N -1 3 350.260 3.497 20 10 FGCDHM CC[C@@H](NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccccc1[O-] ZINC000372337635 499422177 /nfs/dbraw/zinc/42/21/77/499422177.db2.gz NRWBSHCOGSVUHI-DGCLKSJQSA-N -1 3 354.376 3.349 20 10 FGCDHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c([O-])c1O ZINC000376170078 499588665 /nfs/dbraw/zinc/58/86/65/499588665.db2.gz DRALPENKVVVTMP-FGTMMUONSA-N -1 3 353.418 3.051 20 10 FGCDHM CC[C@H](c1ccccc1[O-])N1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000377668955 499717376 /nfs/dbraw/zinc/71/73/76/499717376.db2.gz GIWNCNRWACICMP-IAGOWNOFSA-N -1 3 365.433 3.028 20 10 FGCDHM CC(C)CN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735818330 598819129 /nfs/dbraw/zinc/81/91/29/598819129.db2.gz MFWDJHFLPLWDSP-BAQGIRSFSA-N -1 3 366.400 3.103 20 10 FGCDHM CC(C)CN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735818330 598819130 /nfs/dbraw/zinc/81/91/30/598819130.db2.gz MFWDJHFLPLWDSP-BAQGIRSFSA-N -1 3 366.400 3.103 20 10 FGCDHM Cc1cncc(C=CC(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822399543 607394270 /nfs/dbraw/zinc/39/42/70/607394270.db2.gz IZPMGPWFCLXVFL-RUDMXATFSA-N -1 3 362.437 3.273 20 10 FGCDHM Cc1cncc(C=CC(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822399543 607394272 /nfs/dbraw/zinc/39/42/72/607394272.db2.gz IZPMGPWFCLXVFL-RUDMXATFSA-N -1 3 362.437 3.273 20 10 FGCDHM COc1ccc(N(C)Cc2cc(-c3nnn[n-]3)ccc2OC)cc1Cl ZINC000826209044 607641115 /nfs/dbraw/zinc/64/11/15/607641115.db2.gz KIHLXHLCHQXDOD-UHFFFAOYSA-N -1 3 359.817 3.174 20 10 FGCDHM COc1ccc(N(C)Cc2cc(-c3nn[n-]n3)ccc2OC)cc1Cl ZINC000826209044 607641116 /nfs/dbraw/zinc/64/11/16/607641116.db2.gz KIHLXHLCHQXDOD-UHFFFAOYSA-N -1 3 359.817 3.174 20 10 FGCDHM CCN(C(=O)C=Cc1cncc(C)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366927 608344042 /nfs/dbraw/zinc/34/40/42/608344042.db2.gz HFVDXUDOWRJSQL-DAXSKMNVSA-N -1 3 368.828 3.290 20 10 FGCDHM CCN(C(=O)C=Cc1cncc(C)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366927 608344043 /nfs/dbraw/zinc/34/40/43/608344043.db2.gz HFVDXUDOWRJSQL-DAXSKMNVSA-N -1 3 368.828 3.290 20 10 FGCDHM CC(C)(C)OC(=O)[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000179962452 705722214 /nfs/dbraw/zinc/72/22/14/705722214.db2.gz CEXFTWCGTGANBW-LBPRGKRZSA-N -1 3 356.260 3.318 20 10 FGCDHM COC(=O)C(C)(C)[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000779603829 724419224 /nfs/dbraw/zinc/41/92/24/724419224.db2.gz DSHODHJPNRURCQ-LBPRGKRZSA-N -1 3 370.833 3.365 20 10 FGCDHM COC(=O)CN(Cc1ccc2c(c1)COC2)Cc1cc(Cl)ccc1[O-] ZINC000769381935 723683838 /nfs/dbraw/zinc/68/38/38/723683838.db2.gz SMCOLFSOAFSHNI-UHFFFAOYSA-N -1 3 361.825 3.251 20 10 FGCDHM CCCC(=O)NC1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781901020 724609530 /nfs/dbraw/zinc/60/95/30/724609530.db2.gz KWTYKOUUBASQLG-UHFFFAOYSA-N -1 3 369.303 3.344 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN[C@@H](CO)c2c(F)cccc2F)c1[O-] ZINC000782062525 724624545 /nfs/dbraw/zinc/62/45/45/724624545.db2.gz PPSAQDAWKLKVRH-HNNXBMFYSA-N -1 3 355.768 3.350 20 10 FGCDHM C[C@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1cc(F)cc(F)c1[O-] ZINC000756370391 722963477 /nfs/dbraw/zinc/96/34/77/722963477.db2.gz GKCBEGRQBRKLSS-ZETCQYMHSA-N -1 3 360.282 3.377 20 10 FGCDHM CS(=O)(=O)C1CCN(Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000760398745 723053707 /nfs/dbraw/zinc/05/37/07/723053707.db2.gz DAGJPLNLTXCBRH-UHFFFAOYSA-N -1 3 359.447 3.301 20 10 FGCDHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(N3CCCCC3)cc2)s1 ZINC000763579925 723352278 /nfs/dbraw/zinc/35/22/78/723352278.db2.gz YLBCGYUEQDRDJV-UHFFFAOYSA-N -1 3 365.524 3.174 20 10 FGCDHM CCN(Cc1nnc(C(C)C)[nH]1)Cc1cc(Br)ccc1[O-] ZINC000794382603 723517003 /nfs/dbraw/zinc/51/70/03/723517003.db2.gz JTUKZZCQNLXSKX-UHFFFAOYSA-N -1 3 353.264 3.418 20 10 FGCDHM Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)ns1 ZINC000768080983 723646338 /nfs/dbraw/zinc/64/63/38/723646338.db2.gz OCGJJAHVMAQJAP-CQSZACIVSA-N -1 3 365.886 3.205 20 10 FGCDHM CCOC(=O)CN(Cc1cc(C)cc(Br)c1[O-])C1CCC1 ZINC000768530280 723660575 /nfs/dbraw/zinc/66/05/75/723660575.db2.gz HANKBFBCAGOLKP-UHFFFAOYSA-N -1 3 356.260 3.381 20 10 FGCDHM [O-]c1c(Br)cccc1CN1CCN(Cc2ccccc2)CC1 ZINC000771928072 723745655 /nfs/dbraw/zinc/74/56/55/723745655.db2.gz NLENUTATTWBKNO-UHFFFAOYSA-N -1 3 361.283 3.473 20 10 FGCDHM CCOC(=O)[C@H](CC)N(Cc1cccc(Br)c1[O-])C1CC1 ZINC000787441740 725028484 /nfs/dbraw/zinc/02/84/84/725028484.db2.gz ZGTOCTHKEQQXGT-AWEZNQCLSA-N -1 3 356.260 3.461 20 10 FGCDHM C[C@H](Nc1cccc(OCC(N)=O)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815602335 727086093 /nfs/dbraw/zinc/08/60/93/727086093.db2.gz WVGHXXUUUZCZFU-JTQLQIEISA-N -1 3 354.328 3.448 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000824895173 729364055 /nfs/dbraw/zinc/36/40/55/729364055.db2.gz RRKKPUQLZGQPSS-ZDUSSCGKSA-N -1 3 368.193 3.290 20 10 FGCDHM CCN(Cc1cn(C2CCC2)nn1)Cc1cc(Br)ccc1[O-] ZINC000824913856 729364813 /nfs/dbraw/zinc/36/48/13/729364813.db2.gz ZNMKNMQBISXMDL-UHFFFAOYSA-N -1 3 365.275 3.493 20 10 FGCDHM Cc1cc([O-])c(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1Cl ZINC000824933558 729365600 /nfs/dbraw/zinc/36/56/00/729365600.db2.gz HDMZRBDJVFOJOS-RHSMWYFYSA-N -1 3 351.830 3.272 20 10 FGCDHM Cn1cc([C@H]2CSCCN2Cc2ccc(Br)cc2[O-])cn1 ZINC000825685888 729391457 /nfs/dbraw/zinc/39/14/57/729391457.db2.gz PDZITGNYXPUJHV-CQSZACIVSA-N -1 3 368.300 3.178 20 10 FGCDHM COc1ccc(OC)c2c1CN(Cc1c([O-])cc(C)cc1Cl)C[C@@H]2O ZINC000840910920 730190236 /nfs/dbraw/zinc/19/02/36/730190236.db2.gz XFRWVMZRHWOJSS-INIZCTEOSA-N -1 3 363.841 3.420 20 10 FGCDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC000841454443 730245110 /nfs/dbraw/zinc/24/51/10/730245110.db2.gz ZDJQLENTYFKSPJ-GJZGRUSLSA-N -1 3 368.499 3.051 20 10 FGCDHM Cc1cnc(OC2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)nc1 ZINC000848924933 731221416 /nfs/dbraw/zinc/22/14/16/731221416.db2.gz HSEBTZHMVTXKEF-UHFFFAOYSA-N -1 3 351.809 3.327 20 10 FGCDHM CS(=O)(=O)CCOc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000850346537 731345412 /nfs/dbraw/zinc/34/54/12/731345412.db2.gz IEUBBXCWNXLQDQ-UHFFFAOYSA-N -1 3 355.843 3.081 20 10 FGCDHM COC(=O)c1nc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])ccc1Cl ZINC000850512977 731367337 /nfs/dbraw/zinc/36/73/37/731367337.db2.gz BJNJFZNTVQXHAR-QMMMGPOBSA-N -1 3 356.756 3.356 20 10 FGCDHM CCS(=O)(=O)N(C)c1ccc(N[C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000850553029 731372473 /nfs/dbraw/zinc/37/24/73/731372473.db2.gz ZUCPJQVCTVOXKK-GFCCVEGCSA-N -1 3 352.431 3.490 20 10 FGCDHM Cc1ccc([C@H](NCc2cc(F)cc(F)c2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000894647932 742314125 /nfs/dbraw/zinc/31/41/25/742314125.db2.gz HESWCZXVWAOBEU-YVEFUNNKSA-N -1 3 369.433 3.243 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](c3nnc4ccccn43)C2)c1[O-] ZINC000079438202 494455325 /nfs/dbraw/zinc/45/53/25/494455325.db2.gz CEZNTZHZBRYFBS-AWEZNQCLSA-N -1 3 368.412 3.156 20 10 FGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(OC[C@H]3CCCO3)CC2)c1[O-] ZINC000092661646 494701698 /nfs/dbraw/zinc/70/16/98/494701698.db2.gz QBBAZEZIXUJLRV-OAHLLOKOSA-N -1 3 370.833 3.114 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1ccncc1 ZINC000080665388 494761386 /nfs/dbraw/zinc/76/13/86/494761386.db2.gz NCDBDBFAGXDFGI-UHFFFAOYSA-N -1 3 364.243 3.281 20 10 FGCDHM CC(=O)N1CC[C@H](NCc2cc([N+](=O)[O-])ccc2[O-])c2ccc(F)cc2C1 ZINC000185350242 495542828 /nfs/dbraw/zinc/54/28/28/495542828.db2.gz HEXJIXNNVIBQSG-SFHVURJKSA-N -1 3 373.384 3.023 20 10 FGCDHM C[S@@](=O)C[C@@H](NCc1cc(Br)ccc1[O-])c1ccccc1 ZINC000154743640 495715055 /nfs/dbraw/zinc/71/50/55/495715055.db2.gz ZSPAUNOBAKDJFT-VFNWGFHPSA-N -1 3 368.296 3.364 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1nccs1 ZINC000174102300 495821024 /nfs/dbraw/zinc/82/10/24/495821024.db2.gz SCLDOAGPYAEMNH-UHFFFAOYSA-N -1 3 370.272 3.343 20 10 FGCDHM C[C@H](NCCS(=O)(=O)C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000186027460 495827133 /nfs/dbraw/zinc/82/71/33/495827133.db2.gz CXZFWYJIQYUBGE-JTQLQIEISA-N -1 3 364.305 3.019 20 10 FGCDHM C[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc(F)cc1[O-] ZINC000186349796 495959666 /nfs/dbraw/zinc/95/96/66/495959666.db2.gz MBWDZYMHPAZYAR-SCLBCKFNSA-N -1 3 357.429 3.154 20 10 FGCDHM COc1ccc(N[C@H](C)c2cc(C)ccc2O)cc1[N-]S(C)(=O)=O ZINC000186405020 495984838 /nfs/dbraw/zinc/98/48/38/495984838.db2.gz BGAWNJWCLWZECW-GFCCVEGCSA-N -1 3 350.440 3.254 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](CNC(=O)C(C)C)C2)c1[O-] ZINC000177274302 496002888 /nfs/dbraw/zinc/00/28/88/496002888.db2.gz WKIDQMIAYUWULK-CQSZACIVSA-N -1 3 366.889 3.232 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)c1nc(COC)no1 ZINC000181934153 496604716 /nfs/dbraw/zinc/60/47/16/496604716.db2.gz YKFNXGRLGYKRCW-JTQLQIEISA-N -1 3 370.247 3.267 20 10 FGCDHM C[C@@H](NCc1cccc(CN2CCCC2=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273296575 496766976 /nfs/dbraw/zinc/76/69/76/496766976.db2.gz AHVGWSGVVNTHEH-CQSZACIVSA-N -1 3 369.421 3.274 20 10 FGCDHM C[C@H](NCCS(=O)(=O)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000273396475 496793844 /nfs/dbraw/zinc/79/38/44/496793844.db2.gz LYXGLCVCKIGCKY-ZDUSSCGKSA-N -1 3 353.871 3.311 20 10 FGCDHM C[C@H](NCc1ccnc(OC2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273462856 496812449 /nfs/dbraw/zinc/81/24/49/496812449.db2.gz CZXDLCGWLMHZGG-ZDUSSCGKSA-N -1 3 373.409 3.104 20 10 FGCDHM C[C@@H](NCc1ccnc(OC2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273462854 496812830 /nfs/dbraw/zinc/81/28/30/496812830.db2.gz CZXDLCGWLMHZGG-CYBMUJFWSA-N -1 3 373.409 3.104 20 10 FGCDHM COc1cc(Cl)cc(CN2CCSC[C@@H]2c2cnn(C)c2)c1[O-] ZINC000191746301 496875426 /nfs/dbraw/zinc/87/54/26/496875426.db2.gz RUXFRGJPRKTREY-CQSZACIVSA-N -1 3 353.875 3.078 20 10 FGCDHM COc1cc(Cl)cc(CN(C)Cc2ccc(S(C)(=O)=O)cc2)c1[O-] ZINC000273791474 496909745 /nfs/dbraw/zinc/90/97/45/496909745.db2.gz VJVCGBPWGNSREB-UHFFFAOYSA-N -1 3 369.870 3.090 20 10 FGCDHM Cc1cc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)ccc1N(C)C ZINC000277984287 496960502 /nfs/dbraw/zinc/96/05/02/496960502.db2.gz FAXVCEUGLDYQRG-UHFFFAOYSA-N -1 3 373.840 3.389 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2CCOc3ccc(OC)cc32)c1 ZINC000274367222 497080458 /nfs/dbraw/zinc/08/04/58/497080458.db2.gz JVEWSWAYKKGDOW-SJCJKPOMSA-N -1 3 357.406 3.362 20 10 FGCDHM CCN(Cc1cnn(CCOC)c1)Cc1cc(Br)ccc1[O-] ZINC000271234284 497298804 /nfs/dbraw/zinc/29/88/04/497298804.db2.gz VWWHRBNFVDUKFI-UHFFFAOYSA-N -1 3 368.275 3.020 20 10 FGCDHM Cc1cc(Br)cc(CN2CCC(NC(=O)C(C)C)CC2)c1[O-] ZINC000271700170 497422742 /nfs/dbraw/zinc/42/27/42/497422742.db2.gz CMMVGICMSHDQLT-UHFFFAOYSA-N -1 3 369.303 3.200 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H](C)[C@H]1CCOC1 ZINC000266858677 497432819 /nfs/dbraw/zinc/43/28/19/497432819.db2.gz YOWBQEIMUFPWSZ-NEPJUHHUSA-N -1 3 371.275 3.111 20 10 FGCDHM COC[C@H](c1ccccc1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277180187 497767118 /nfs/dbraw/zinc/76/71/18/497767118.db2.gz AMZZAKPBZXJWMQ-MRXNPFEDSA-N -1 3 374.824 3.198 20 10 FGCDHM COc1c([O-])c(CNc2ccc(C(=O)NC(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC000280844853 497920367 /nfs/dbraw/zinc/92/03/67/497920367.db2.gz YWQYJTXTBILLDU-UHFFFAOYSA-N -1 3 373.409 3.449 20 10 FGCDHM COc1c([O-])c(CNCc2c(F)cccc2SC)ccc1[N+](=O)[O-] ZINC000289637265 498226763 /nfs/dbraw/zinc/22/67/63/498226763.db2.gz XHDKDWJJPBDEIE-UHFFFAOYSA-N -1 3 352.387 3.460 20 10 FGCDHM CC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(F)cc1O ZINC000286318438 498361633 /nfs/dbraw/zinc/36/16/33/498361633.db2.gz XUCKUDFAXCAUFL-AWEZNQCLSA-N -1 3 368.430 3.475 20 10 FGCDHM COc1cccc([C@H](NC(=O)c2cccc(O)c2[O-])c2ccccn2)c1 ZINC000366166077 498804257 /nfs/dbraw/zinc/80/42/57/498804257.db2.gz AQIOWGIKRZIRAM-SFHVURJKSA-N -1 3 350.374 3.021 20 10 FGCDHM CCc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1[O-] ZINC000291717809 499047337 /nfs/dbraw/zinc/04/73/37/499047337.db2.gz AYPWHDMWLQKAEK-UHFFFAOYSA-N -1 3 368.477 3.093 20 10 FGCDHM COc1ccc([C@@H](CN(C)C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000284498896 499116730 /nfs/dbraw/zinc/11/67/30/499116730.db2.gz XMRLUZIYCVWMMI-FZKQIMNGSA-N -1 3 359.426 3.263 20 10 FGCDHM C[C@H](NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(F)cc1[O-] ZINC000369902054 499148641 /nfs/dbraw/zinc/14/86/41/499148641.db2.gz KCEQSPOANMNRIJ-VHSXEESVSA-N -1 3 358.339 3.098 20 10 FGCDHM CCCOc1ccc(CN[C@H]2CCCc3cn(CCOC)nc32)c([O-])c1 ZINC000368084053 499262267 /nfs/dbraw/zinc/26/22/67/499262267.db2.gz CESAFWFWEQATNA-SFHVURJKSA-N -1 3 359.470 3.191 20 10 FGCDHM COCc1noc(-c2cccc(NC(=O)c3ccc(C)c(O)c3[O-])c2C)n1 ZINC000371578867 499344051 /nfs/dbraw/zinc/34/40/51/499344051.db2.gz GMIBYGGCWRPPKL-UHFFFAOYSA-N -1 3 369.377 3.163 20 10 FGCDHM Cc1ccc(C(=O)N(C)C2CCN(c3ccc(F)cc3)CC2)c([O-])c1O ZINC000371664945 499352761 /nfs/dbraw/zinc/35/27/61/499352761.db2.gz JKUHQEVQRPCQRL-UHFFFAOYSA-N -1 3 358.413 3.286 20 10 FGCDHM CCCOc1ccc(CN2CCCN(C(=O)c3ccco3)CC2)c([O-])c1 ZINC000372413347 499431803 /nfs/dbraw/zinc/43/18/03/499431803.db2.gz KLQZLPMWYJRUHM-UHFFFAOYSA-N -1 3 358.438 3.122 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCC(OC[C@H]2CCOC2)CC1 ZINC000376507686 499613561 /nfs/dbraw/zinc/61/35/61/499613561.db2.gz XLWFJEOVKJPTLD-ZDUSSCGKSA-N -1 3 370.287 3.172 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCOC3(CCOCC3)CC2)c1[O-] ZINC000377252662 499674106 /nfs/dbraw/zinc/67/41/06/499674106.db2.gz SAOPKTNAXLYGRO-UHFFFAOYSA-N -1 3 353.846 3.020 20 10 FGCDHM Cc1cc(C(=O)Nc2ccc(C)nc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822254703 607361730 /nfs/dbraw/zinc/36/17/30/607361730.db2.gz PFWANRIBEPJLMZ-UHFFFAOYSA-N -1 3 373.420 3.230 20 10 FGCDHM Cc1cc(C(=O)N2C[C@@H](C)[C@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168448 606432319 /nfs/dbraw/zinc/43/23/19/606432319.db2.gz MUAMHSVTGMFHDI-CHWSQXEVSA-N -1 3 364.453 3.002 20 10 FGCDHM CCN(CC)c1ccc(CN(C)C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821197930 606485338 /nfs/dbraw/zinc/48/53/38/606485338.db2.gz PCTNRCOCXHSODT-UHFFFAOYSA-N -1 3 370.482 3.047 20 10 FGCDHM CCN(CC)c1ccc(CN(C)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821197930 606485339 /nfs/dbraw/zinc/48/53/39/606485339.db2.gz PCTNRCOCXHSODT-UHFFFAOYSA-N -1 3 370.482 3.047 20 10 FGCDHM C[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1n1ccnc1 ZINC000091960202 700429655 /nfs/dbraw/zinc/42/96/55/700429655.db2.gz AFFNVBVASDYUGM-NHYWBVRUSA-N -1 3 350.806 3.233 20 10 FGCDHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2F)cc1[N+](=O)[O-] ZINC000126114966 700743783 /nfs/dbraw/zinc/74/37/83/700743783.db2.gz FUBSJFWURKVOAV-UHFFFAOYSA-N -1 3 360.750 3.202 20 10 FGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@@](C)(C(F)F)O1 ZINC000707167317 722412162 /nfs/dbraw/zinc/41/21/62/722412162.db2.gz XPQXPVCTXRCYIU-OTYXRUKQSA-N -1 3 350.203 3.399 20 10 FGCDHM Cn1c(CNCc2cccc(Br)c2[O-])nc2cc(F)ccc21 ZINC000736355828 722522970 /nfs/dbraw/zinc/52/29/70/722522970.db2.gz ZRORBPCILUJAPA-UHFFFAOYSA-N -1 3 364.218 3.470 20 10 FGCDHM O=C1[C@@H](NCc2c([O-])ccc(Cl)c2F)CCN1c1c(F)cccc1F ZINC000790976653 723201320 /nfs/dbraw/zinc/20/13/20/723201320.db2.gz KFVGDOIYDFRXTJ-ZDUSSCGKSA-N -1 3 370.758 3.358 20 10 FGCDHM COC(=O)C[C@@](C)(NCc1c([O-])ccc(Cl)c1F)c1ccncc1 ZINC000792173792 723318129 /nfs/dbraw/zinc/31/81/29/723318129.db2.gz CNPSKORYTJRZDE-QGZVFWFLSA-N -1 3 352.793 3.148 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000796032107 723618234 /nfs/dbraw/zinc/61/82/34/723618234.db2.gz NWCBSXYLYMOXSY-CXAGYDPISA-N -1 3 370.287 3.233 20 10 FGCDHM CN(CC(=O)N(C)C1CCCCC1)Cc1cccc(Br)c1[O-] ZINC000768304035 723653500 /nfs/dbraw/zinc/65/35/00/723653500.db2.gz YVFLZTJTUZDAJL-UHFFFAOYSA-N -1 3 369.303 3.378 20 10 FGCDHM CC(C)(C)c1nc(CN2CCN(Cc3c([O-])cccc3Cl)CC2)no1 ZINC000769462698 723686341 /nfs/dbraw/zinc/68/63/41/723686341.db2.gz LHYSXMSMWBEJRQ-UHFFFAOYSA-N -1 3 364.877 3.044 20 10 FGCDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000797605686 723841603 /nfs/dbraw/zinc/84/16/03/723841603.db2.gz UPXAEMNPRMDXFS-XNJGSVPQSA-N -1 3 370.287 3.313 20 10 FGCDHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000775292283 723977739 /nfs/dbraw/zinc/97/77/39/723977739.db2.gz XMBUZOSMOKXHCQ-UHFFFAOYSA-N -1 3 363.435 3.213 20 10 FGCDHM Cc1cc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)ccc1O ZINC000776748496 724178612 /nfs/dbraw/zinc/17/86/12/724178612.db2.gz LGSMATFJFKXYFA-SNVBAGLBSA-N -1 3 353.827 3.478 20 10 FGCDHM CN(C)C(=O)OC[C@@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000809708758 725260942 /nfs/dbraw/zinc/26/09/42/725260942.db2.gz JAEUZSNEQHCKHI-ZDUSSCGKSA-N -1 3 371.275 3.207 20 10 FGCDHM C[C@@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@H](C)S1(=O)=O ZINC000811797000 725380442 /nfs/dbraw/zinc/38/04/42/725380442.db2.gz SAONHPMTQCLEMH-BETUJISGSA-N -1 3 363.479 3.025 20 10 FGCDHM COc1ccc(CN(CCO)Cc2cc(Cl)c(F)cc2[O-])c(OC)c1 ZINC000816509046 727169677 /nfs/dbraw/zinc/16/96/77/727169677.db2.gz CINBAXMQZIXALD-UHFFFAOYSA-N -1 3 369.820 3.196 20 10 FGCDHM CCN(Cc1nn(CC)nc1C)Cc1cc(Br)ccc1[O-] ZINC000823477030 729283893 /nfs/dbraw/zinc/28/38/93/729283893.db2.gz HWBGQZUJJBFJTR-UHFFFAOYSA-N -1 3 353.264 3.097 20 10 FGCDHM CN(Cc1csc(C(C)(C)O)n1)Cc1ccc(Br)cc1[O-] ZINC000826097308 729405125 /nfs/dbraw/zinc/40/51/25/729405125.db2.gz XUGDAOPNJQVZJK-UHFFFAOYSA-N -1 3 371.300 3.471 20 10 FGCDHM Cc1cc([O-])c(CN2CCc3nnc(N4CCCC4)cc3C2)cc1Cl ZINC000828101145 729439782 /nfs/dbraw/zinc/43/97/82/729439782.db2.gz VCVAPNYMQPMDGE-UHFFFAOYSA-N -1 3 358.873 3.303 20 10 FGCDHM Cc1cc([O-])c(CN2CCOC[C@H]2C[C@H](O)c2ccco2)c(Cl)c1 ZINC000840920974 730191662 /nfs/dbraw/zinc/19/16/62/730191662.db2.gz LLJJGQJYCLJBCD-DYVFJYSZSA-N -1 3 351.830 3.272 20 10 FGCDHM C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1c([O-])cccc1Br ZINC000862363716 732815913 /nfs/dbraw/zinc/81/59/13/732815913.db2.gz SFTWRFVFRQKKCN-PELKAZGASA-N -1 3 354.166 3.306 20 10 FGCDHM [O-]c1cccc(Br)c1CN1CCc2nc(C3CC3)ncc2C1 ZINC000862508699 732842359 /nfs/dbraw/zinc/84/23/59/732842359.db2.gz XBFLFYRCPHXOKU-UHFFFAOYSA-N -1 3 360.255 3.380 20 10 FGCDHM [O-]c1c(CN2CC[C@H](c3nccc(C(F)(F)F)n3)C2)ccc(F)c1F ZINC000897613599 742695030 /nfs/dbraw/zinc/69/50/30/742695030.db2.gz IZFFBHCUVWWYCY-JTQLQIEISA-N -1 3 359.298 3.469 20 10 FGCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000922762180 759000250 /nfs/dbraw/zinc/00/02/50/759000250.db2.gz VKAASEUISCETMM-NHYWBVRUSA-N -1 3 350.415 3.312 20 10 FGCDHM CC(C)n1ncc(C(=O)NCc2c([O-])cccc2F)c1Br ZINC000928708377 760241704 /nfs/dbraw/zinc/24/17/04/760241704.db2.gz GOIULMOWYJIOMM-UHFFFAOYSA-N -1 3 356.195 3.001 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](c3nncn3C3CC3)C2)c1[O-] ZINC000091631587 494634494 /nfs/dbraw/zinc/63/44/94/494634494.db2.gz AEZSECKXJDDBJS-CYBMUJFWSA-N -1 3 358.417 3.040 20 10 FGCDHM Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094031659 494941519 /nfs/dbraw/zinc/94/15/19/494941519.db2.gz HWBOHBYKAZURAO-QGZVFWFLSA-N -1 3 374.462 3.049 20 10 FGCDHM Cn1cnnc1[C@@H]1CCCN1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183110111 495839411 /nfs/dbraw/zinc/83/94/11/495839411.db2.gz ZWMLGTHFPYUPFZ-IBGZPJMESA-N -1 3 364.449 3.437 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(OC[C@@H]3CCCO3)CC2)c1[O-] ZINC000177452563 496066970 /nfs/dbraw/zinc/06/69/70/496066970.db2.gz SJRSECQZQNTUMH-KRWDZBQOSA-N -1 3 367.873 3.408 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(N3CCCCC3)nc2)c1 ZINC000273414000 496799552 /nfs/dbraw/zinc/79/95/52/496799552.db2.gz QKQVNBHLHGIHPE-OAHLLOKOSA-N -1 3 369.465 3.415 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 ZINC000273451710 496810398 /nfs/dbraw/zinc/81/03/98/496810398.db2.gz GECSLDRXJQAPAU-MNOVXSKESA-N -1 3 356.378 3.071 20 10 FGCDHM CC[C@@H](N[C@H](C)c1cc(C(=O)OC)ccc1[O-])c1nnc2n1CCCCC2 ZINC000273610966 496853146 /nfs/dbraw/zinc/85/31/46/496853146.db2.gz VUDTZHHJHJUMEJ-CZUORRHYSA-N -1 3 372.469 3.299 20 10 FGCDHM Cn1cc([C@H]2CSCCN2Cc2cc(Br)ccc2[O-])cn1 ZINC000191743585 496875132 /nfs/dbraw/zinc/87/51/32/496875132.db2.gz CKJPPAQVCLXNAX-CQSZACIVSA-N -1 3 368.300 3.178 20 10 FGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1c1ccc2c(c1)CCCO2 ZINC000278320124 497073565 /nfs/dbraw/zinc/07/35/65/497073565.db2.gz XOIQYQVRZUUDNQ-UHFFFAOYSA-N -1 3 372.808 3.339 20 10 FGCDHM COc1cc(Cl)cc(CN2CCOC[C@@H]2c2nc(C)cs2)c1[O-] ZINC000275503872 497346134 /nfs/dbraw/zinc/34/61/34/497346134.db2.gz CPMIAKNVMWFDNO-CYBMUJFWSA-N -1 3 354.859 3.393 20 10 FGCDHM Cc1csc([C@H]2COCCN2Cc2cc(Br)ccc2[O-])n1 ZINC000190407030 497467236 /nfs/dbraw/zinc/46/72/36/497467236.db2.gz CNYAGQFAWOTEJN-CYBMUJFWSA-N -1 3 369.284 3.493 20 10 FGCDHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)cc1 ZINC000276824409 497664822 /nfs/dbraw/zinc/66/48/22/497664822.db2.gz GQJKWZLTQUGQNK-UHFFFAOYSA-N -1 3 365.451 3.171 20 10 FGCDHM COc1c([O-])c(CN[C@@H](c2cccs2)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000295960276 497869533 /nfs/dbraw/zinc/86/95/33/497869533.db2.gz IDCKXFFVJJUZAG-INIZCTEOSA-N -1 3 366.439 3.220 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])c1cc(Cl)nc(N)n1 ZINC000301737919 498245249 /nfs/dbraw/zinc/24/52/49/498245249.db2.gz VZTBIIJBMHNAOO-UHFFFAOYSA-N -1 3 357.639 3.207 20 10 FGCDHM O=C(c1cccc([O-])c1)N1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000361613868 498412550 /nfs/dbraw/zinc/41/25/50/498412550.db2.gz TXWQTNWDJQLVLJ-UHFFFAOYSA-N -1 3 360.841 3.146 20 10 FGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1cc(F)ccc1N1CCOCC1 ZINC000293605284 498426148 /nfs/dbraw/zinc/42/61/48/498426148.db2.gz LKZMFMPXKGNNKT-UHFFFAOYSA-N -1 3 368.811 3.450 20 10 FGCDHM CC(C)OCc1cc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)ccc1O ZINC000290451738 498558262 /nfs/dbraw/zinc/55/82/62/498558262.db2.gz DGOFCEKEKKXSQG-UHFFFAOYSA-N -1 3 364.467 3.184 20 10 FGCDHM COc1cc(Br)cc(CN2CC[C@@H](n3cc(C)cn3)C2)c1[O-] ZINC000365613807 498558826 /nfs/dbraw/zinc/55/88/26/498558826.db2.gz CWLFVSPKEPIQPF-CQSZACIVSA-N -1 3 366.259 3.115 20 10 FGCDHM COc1c([O-])c(CN2CCC(c3nc(C)cs3)CC2)ccc1[N+](=O)[O-] ZINC000365828945 498659229 /nfs/dbraw/zinc/65/92/29/498659229.db2.gz WIDKVJLDIGZLAB-UHFFFAOYSA-N -1 3 363.439 3.454 20 10 FGCDHM C[C@H](NCc1cc(Br)ccc1[O-])c1nnc2n1CCCCC2 ZINC000317839171 498794374 /nfs/dbraw/zinc/79/43/74/498794374.db2.gz QVMYJXWZLYVEPZ-NSHDSACASA-N -1 3 365.275 3.323 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCC1=CCCOC1 ZINC000288042061 498931275 /nfs/dbraw/zinc/93/12/75/498931275.db2.gz RIAFHSOBFYFNSO-UHFFFAOYSA-N -1 3 369.259 3.033 20 10 FGCDHM COc1ccc([C@H](CN(C)C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000284498908 499116776 /nfs/dbraw/zinc/11/67/76/499116776.db2.gz XMRLUZIYCVWMMI-UGSOOPFHSA-N -1 3 359.426 3.263 20 10 FGCDHM Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2c([O-])ccc(Cl)c2F)cn1 ZINC000372811815 499178505 /nfs/dbraw/zinc/17/85/05/499178505.db2.gz LAGDSMVGZOKLRE-LRDDRELGSA-N -1 3 353.825 3.006 20 10 FGCDHM COc1ccc(N2CCC(N(C)C(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000368867540 499341373 /nfs/dbraw/zinc/34/13/73/499341373.db2.gz ROOKHNPRZONEOX-UHFFFAOYSA-N -1 3 354.450 3.450 20 10 FGCDHM Cc1ccc(C(=O)N(C)[C@@H](c2ccc(F)cc2)c2cnccn2)c([O-])c1O ZINC000378561750 499532012 /nfs/dbraw/zinc/53/20/12/499532012.db2.gz PEQUTWJHGBCXSK-KRWDZBQOSA-N -1 3 367.380 3.197 20 10 FGCDHM CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000529701908 503665952 /nfs/dbraw/zinc/66/59/52/503665952.db2.gz LKVZDGGYQDAZEG-GOSISDBHSA-N -1 3 354.450 3.080 20 10 FGCDHM Fc1cccc(Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1-c1nnn[n-]1 ZINC000737651222 598857272 /nfs/dbraw/zinc/85/72/72/598857272.db2.gz JHRQDBAPOKWMSI-LBPRGKRZSA-N -1 3 372.379 3.479 20 10 FGCDHM Fc1cccc(Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1-c1nn[n-]n1 ZINC000737651222 598857273 /nfs/dbraw/zinc/85/72/73/598857273.db2.gz JHRQDBAPOKWMSI-LBPRGKRZSA-N -1 3 372.379 3.479 20 10 FGCDHM C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820433223 599394852 /nfs/dbraw/zinc/39/48/52/599394852.db2.gz WEDMONMNWRQRGD-SNVBAGLBSA-N -1 3 374.242 3.186 20 10 FGCDHM O=C([O-])c1cc(F)ccc1C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000740076452 600314211 /nfs/dbraw/zinc/31/42/11/600314211.db2.gz YVQOZMUKRSDMAU-KRWDZBQOSA-N -1 3 359.397 3.411 20 10 FGCDHM O=C([O-])c1cc(F)ccc1C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000740076452 600314214 /nfs/dbraw/zinc/31/42/14/600314214.db2.gz YVQOZMUKRSDMAU-KRWDZBQOSA-N -1 3 359.397 3.411 20 10 FGCDHM CCC[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000829496897 604770551 /nfs/dbraw/zinc/77/05/51/604770551.db2.gz URLUYSGKNGZGBL-LJQANCHMSA-N -1 3 359.422 3.447 20 10 FGCDHM CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000829496897 604770554 /nfs/dbraw/zinc/77/05/54/604770554.db2.gz URLUYSGKNGZGBL-LJQANCHMSA-N -1 3 359.422 3.447 20 10 FGCDHM COc1cc(C)cc(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1O ZINC000826178353 607848475 /nfs/dbraw/zinc/84/84/75/607848475.db2.gz UQSLVBJAMJBVDX-UHFFFAOYSA-N -1 3 359.817 3.179 20 10 FGCDHM COc1cc(C)cc(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1O ZINC000826178353 607848476 /nfs/dbraw/zinc/84/84/76/607848476.db2.gz UQSLVBJAMJBVDX-UHFFFAOYSA-N -1 3 359.817 3.179 20 10 FGCDHM COC(=O)CN(Cc1csc([N+](=O)[O-])c1)Cc1cc(Cl)ccc1[O-] ZINC000109779909 700537080 /nfs/dbraw/zinc/53/70/80/700537080.db2.gz MSLINWWTIKRFLU-UHFFFAOYSA-N -1 3 370.814 3.191 20 10 FGCDHM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000122480871 700690651 /nfs/dbraw/zinc/69/06/51/700690651.db2.gz CCRXFRJGUKXZML-STQMWFEESA-N -1 3 363.479 3.025 20 10 FGCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373979751 713889651 /nfs/dbraw/zinc/88/96/51/713889651.db2.gz ZAWSPNYDQDIWEL-XNJGSVPQSA-N -1 3 370.287 3.313 20 10 FGCDHM CCN(Cc1cc(C)cc(Br)c1[O-])C[C@H](O)C(F)(F)F ZINC000779192133 724398870 /nfs/dbraw/zinc/39/88/70/724398870.db2.gz GDCZEIFOYBJCKT-NSHDSACASA-N -1 3 356.182 3.208 20 10 FGCDHM Cc1cc(Br)c([O-])c(CNc2ccc3c(c2)C(=O)NCC3)c1 ZINC000781636038 724581552 /nfs/dbraw/zinc/58/15/52/724581552.db2.gz OXBBNDJVBSBVQM-UHFFFAOYSA-N -1 3 361.239 3.361 20 10 FGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCCOC)c(C)c1 ZINC000790411259 723136690 /nfs/dbraw/zinc/13/66/90/723136690.db2.gz IBFHLDLANLVHJB-UHFFFAOYSA-N -1 3 365.451 3.089 20 10 FGCDHM O=C(NCCc1cccc(OCC(F)(F)F)c1)c1cccc(O)c1[O-] ZINC000794347741 723512037 /nfs/dbraw/zinc/51/20/37/723512037.db2.gz SCWJDJWNGWDONO-UHFFFAOYSA-N -1 3 355.312 3.011 20 10 FGCDHM C[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000794826554 723547969 /nfs/dbraw/zinc/54/79/69/723547969.db2.gz CJUDXMJUUYMREO-RFAUZJTJSA-N -1 3 367.218 3.171 20 10 FGCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H](C(F)(F)F)O1 ZINC000769498283 723687486 /nfs/dbraw/zinc/68/74/86/723687486.db2.gz SZMLPGVBPFRWEU-PRHODGIISA-N -1 3 354.166 3.306 20 10 FGCDHM [O-]c1cccc(Cl)c1CNc1nc2ccc(Br)cn2n1 ZINC000775178260 723968845 /nfs/dbraw/zinc/96/88/45/723968845.db2.gz UHNBODVAIRRNDP-UHFFFAOYSA-N -1 3 353.607 3.463 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(Oc3cnccn3)CC2)c1[O-] ZINC000785898914 724946266 /nfs/dbraw/zinc/94/62/66/724946266.db2.gz SYGINHMUGVLQQF-UHFFFAOYSA-N -1 3 361.829 3.082 20 10 FGCDHM Cc1cc(CC(=O)[N-]OC[C@H]2CCOC2)c(C)n1-c1ccc(Cl)cc1 ZINC000788272652 725054163 /nfs/dbraw/zinc/05/41/63/725054163.db2.gz DLIOPPGBUXLDIH-HNNXBMFYSA-N -1 3 362.857 3.374 20 10 FGCDHM COC(=O)C[C@](C)(NCc1cc(Cl)cc(F)c1[O-])c1ccncc1 ZINC000789553750 725136336 /nfs/dbraw/zinc/13/63/36/725136336.db2.gz DGUPDJVQXNPTEP-KRWDZBQOSA-N -1 3 352.793 3.148 20 10 FGCDHM Cc1ccccc1-n1cc(CNCc2cc(Br)ccc2[O-])nn1 ZINC000809713440 725261593 /nfs/dbraw/zinc/26/15/93/725261593.db2.gz QHGXWYTVEAECER-UHFFFAOYSA-N -1 3 373.254 3.334 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCNC(=O)c3ccccc32)c1 ZINC000811508473 725370983 /nfs/dbraw/zinc/37/09/83/725370983.db2.gz RQUQMGFSOMDOPC-UHFFFAOYSA-N -1 3 361.239 3.213 20 10 FGCDHM CCO[C@H](C)c1noc(CN(C)Cc2ccc(Br)cc2[O-])n1 ZINC000824884059 729363705 /nfs/dbraw/zinc/36/37/05/729363705.db2.gz SVLZYYDDDNXCTJ-SNVBAGLBSA-N -1 3 370.247 3.267 20 10 FGCDHM COc1ccc(NCc2cc(Cl)c(C)cc2O)cc1[N-]S(C)(=O)=O ZINC000824990692 729366990 /nfs/dbraw/zinc/36/69/90/729366990.db2.gz LNRQQHJXIYXDEK-UHFFFAOYSA-N -1 3 370.858 3.346 20 10 FGCDHM Cc1c(NCc2c([O-])cccc2Cl)cccc1S(=O)(=O)N(C)C ZINC000825289674 729377190 /nfs/dbraw/zinc/37/71/90/729377190.db2.gz COYXQGHJYNDZEP-UHFFFAOYSA-N -1 3 354.859 3.216 20 10 FGCDHM CC1(c2nnc(-c3cccnc3)o2)CN(Cc2cccc(Cl)c2[O-])C1 ZINC000828044555 729439116 /nfs/dbraw/zinc/43/91/16/729439116.db2.gz SVZCGBFQKSIEMW-UHFFFAOYSA-N -1 3 356.813 3.264 20 10 FGCDHM CC[C@H](NCc1c([O-])ccc(Cl)c1F)C(=O)NCc1cccs1 ZINC000842748584 730539050 /nfs/dbraw/zinc/53/90/50/730539050.db2.gz QTYDDSVMUOHMDG-ZDUSSCGKSA-N -1 3 356.850 3.431 20 10 FGCDHM CCC(CC)CCCN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000856169568 731991113 /nfs/dbraw/zinc/99/11/13/731991113.db2.gz PXTDCETZAHWPMX-UHFFFAOYSA-N -1 3 356.488 3.052 20 10 FGCDHM COC(=O)c1oc(CNCc2cc(C)cc(Br)c2[O-])cc1C ZINC000877693549 736706091 /nfs/dbraw/zinc/70/60/91/736706091.db2.gz JYRKDIAMGJJAFU-UHFFFAOYSA-N -1 3 368.227 3.441 20 10 FGCDHM [O-]c1c(Br)cc(Cl)cc1CNCc1n[nH]c(C2CC2)n1 ZINC000883132967 737527727 /nfs/dbraw/zinc/52/77/27/737527727.db2.gz KRRMUHAKIJPONY-UHFFFAOYSA-N -1 3 357.639 3.093 20 10 FGCDHM C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000903396420 743844669 /nfs/dbraw/zinc/84/46/69/743844669.db2.gz LVYBECZIJYQOLM-UWVGGRQHSA-N -1 3 369.252 3.124 20 10 FGCDHM CC(C)(C)n1cc(Br)c(C(=O)NCc2c([O-])cccc2F)n1 ZINC000928706035 760241845 /nfs/dbraw/zinc/24/18/45/760241845.db2.gz NXMAPKRXIANWOS-UHFFFAOYSA-N -1 3 370.222 3.175 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(OC[C@H]3CCOC3)CC2)c1[O-] ZINC000132019707 494800960 /nfs/dbraw/zinc/80/09/60/494800960.db2.gz REUDSIFJJZIJLF-AWEZNQCLSA-N -1 3 367.873 3.266 20 10 FGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCCN(c2cccnn2)CC1 ZINC000093150459 494836178 /nfs/dbraw/zinc/83/61/78/494836178.db2.gz KLKDPQMVOLPUOC-UHFFFAOYSA-N -1 3 353.253 3.201 20 10 FGCDHM COc1ccc(CN(C)C(=O)[C@@H](C)N(C)Cc2ccccc2[O-])cc1F ZINC000111235663 495052345 /nfs/dbraw/zinc/05/23/45/495052345.db2.gz WIVWWBWFJVHLCJ-CQSZACIVSA-N -1 3 360.429 3.019 20 10 FGCDHM COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)N(C)Cc2ccccc2[O-])c1 ZINC000111235867 495053382 /nfs/dbraw/zinc/05/33/82/495053382.db2.gz WEIGATTYFRGCCG-CABCVRRESA-N -1 3 372.465 3.107 20 10 FGCDHM C[C@@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccnc1 ZINC000134265602 495128357 /nfs/dbraw/zinc/12/83/57/495128357.db2.gz JOXKNQDQQLNASC-RDTXWAMCSA-N -1 3 373.884 3.325 20 10 FGCDHM C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(Br)cc1[O-] ZINC000186028145 495826840 /nfs/dbraw/zinc/82/68/40/495826840.db2.gz CICSMAZGCNVKFI-SNVBAGLBSA-N -1 3 364.305 3.019 20 10 FGCDHM C[C@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc(F)ccc1[O-] ZINC000186261252 495918852 /nfs/dbraw/zinc/91/88/52/495918852.db2.gz LSSNLECALLGCGY-AWEZNQCLSA-N -1 3 358.413 3.106 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000187083117 496285354 /nfs/dbraw/zinc/28/53/54/496285354.db2.gz OOWDUQPYXNFPIZ-KRWDZBQOSA-N -1 3 361.825 3.337 20 10 FGCDHM CC(C)[C@@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCO1 ZINC000277334668 496739524 /nfs/dbraw/zinc/73/95/24/496739524.db2.gz VHLQXVNCLGRHQQ-ZBFHGGJFSA-N -1 3 366.845 3.013 20 10 FGCDHM CC(C)[C@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCO1 ZINC000277334661 496739793 /nfs/dbraw/zinc/73/97/93/496739793.db2.gz VHLQXVNCLGRHQQ-GOEBONIOSA-N -1 3 366.845 3.013 20 10 FGCDHM COc1cc(CNCc2cccc(Br)c2[O-])cc2c1OCO2 ZINC000278437524 497114020 /nfs/dbraw/zinc/11/40/20/497114020.db2.gz VDTZYJZFIWMKEM-UHFFFAOYSA-N -1 3 366.211 3.182 20 10 FGCDHM COc1c([O-])c(CNCc2ccc(OC(C)(C)C)nc2)ccc1[N+](=O)[O-] ZINC000278483265 497131055 /nfs/dbraw/zinc/13/10/55/497131055.db2.gz JRHQORRVDCRYTN-UHFFFAOYSA-N -1 3 361.398 3.171 20 10 FGCDHM COC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(F)c(F)c1 ZINC000278502928 497136652 /nfs/dbraw/zinc/13/66/52/497136652.db2.gz OGLXGDPTBXVZRK-AWEZNQCLSA-N -1 3 368.336 3.065 20 10 FGCDHM COc1cc(Cl)cc(CN2CCOC[C@H]2c2nc(C)cs2)c1[O-] ZINC000275503878 497346073 /nfs/dbraw/zinc/34/60/73/497346073.db2.gz CPMIAKNVMWFDNO-ZDUSSCGKSA-N -1 3 354.859 3.393 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@H]1CCSC1 ZINC000279253041 497383343 /nfs/dbraw/zinc/38/33/43/497383343.db2.gz IJXIDBUGZBRMDG-LLVKDONJSA-N -1 3 373.316 3.439 20 10 FGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CCC[C@H]1CCCCO1 ZINC000277290867 497796658 /nfs/dbraw/zinc/79/66/58/497796658.db2.gz QYOJREFOGGSQGV-OAHLLOKOSA-N -1 3 366.845 3.159 20 10 FGCDHM C[C@@H](N[C@H](c1nccn1C)C1CCOCC1)c1ccc(F)c(F)c1[O-] ZINC000284740814 497885715 /nfs/dbraw/zinc/88/57/15/497885715.db2.gz FCNSVVBPTBMYKY-BZNIZROVSA-N -1 3 351.397 3.222 20 10 FGCDHM C[C@@H](NCC1(S(C)(=O)=O)CCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000281272251 498083890 /nfs/dbraw/zinc/08/38/90/498083890.db2.gz XAJTWYNPHHNICS-SECBINFHSA-N -1 3 352.283 3.317 20 10 FGCDHM COCCn1cc2c(n1)[C@@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])CCC2 ZINC000364784918 498141333 /nfs/dbraw/zinc/14/13/33/498141333.db2.gz JGXTUSBPISMATI-NHYWBVRUSA-N -1 3 351.397 3.242 20 10 FGCDHM Cc1cc(Br)cc(CN[C@@H](c2nncn2C)C(C)C)c1[O-] ZINC000289532675 498182675 /nfs/dbraw/zinc/18/26/75/498182675.db2.gz PZEFZVYIZHXUSM-CYBMUJFWSA-N -1 3 353.264 3.079 20 10 FGCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2nc3c(cccc3F)[nH]2)CC1 ZINC000365105553 498298264 /nfs/dbraw/zinc/29/82/64/498298264.db2.gz ADYANMDKZSYZAW-UHFFFAOYSA-N -1 3 355.369 3.133 20 10 FGCDHM Cc1cc(Br)cc(CN2CCOC[C@H]2[C@H]2CCCC2=O)c1[O-] ZINC000365148466 498322649 /nfs/dbraw/zinc/32/26/49/498322649.db2.gz DPRQSKDOOWWCEE-CABCVRRESA-N -1 3 368.271 3.033 20 10 FGCDHM COc1c([O-])c(CN[C@H](CCO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000290100358 498428657 /nfs/dbraw/zinc/42/86/57/498428657.db2.gz HPPOXYIZLWNZPU-CQSZACIVSA-N -1 3 366.801 3.176 20 10 FGCDHM COc1c([O-])c(CNc2cccc(-n3c(C)c[nH]c3=O)c2)ccc1[N+](=O)[O-] ZINC000365801030 498646985 /nfs/dbraw/zinc/64/69/85/498646985.db2.gz ZXGFVIRYCURGPX-UHFFFAOYSA-N -1 3 370.365 3.121 20 10 FGCDHM COc1c([O-])c(CN2CCC[C@H]2Cn2ccnc2C(C)C)ccc1[N+](=O)[O-] ZINC000365826981 498656783 /nfs/dbraw/zinc/65/67/83/498656783.db2.gz RFBBHAPAGZBMDJ-HNNXBMFYSA-N -1 3 374.441 3.294 20 10 FGCDHM CN(c1ccc(NC(=O)c2c(F)ccc(O)c2[O-])cc1)C1CCN(C)CC1 ZINC000294893949 498841254 /nfs/dbraw/zinc/84/12/54/498841254.db2.gz RAYAFCZXZYWDKP-UHFFFAOYSA-N -1 3 373.428 3.020 20 10 FGCDHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c([O-])c1O ZINC000291656817 499025951 /nfs/dbraw/zinc/02/59/51/499025951.db2.gz CKUPFJWLDKUFEM-ZIAGYGMSSA-N -1 3 373.409 3.008 20 10 FGCDHM COCCC[C@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000370343218 499211496 /nfs/dbraw/zinc/21/14/96/499211496.db2.gz NKWACRZPPGLBEJ-WMLDXEAASA-N -1 3 368.905 3.189 20 10 FGCDHM CC(=O)c1cc(F)cc(CN[C@@H](c2cnn(C)c2)c2ccccc2)c1[O-] ZINC000371752009 499361423 /nfs/dbraw/zinc/36/14/23/499361423.db2.gz DIZOSLTZIFUHNE-LJQANCHMSA-N -1 3 353.397 3.347 20 10 FGCDHM COc1c([O-])c(CN[C@H]2COc3c2cccc3Cl)ccc1[N+](=O)[O-] ZINC000373196311 499456683 /nfs/dbraw/zinc/45/66/83/499456683.db2.gz VEFSGBICQLBXGD-LBPRGKRZSA-N -1 3 350.758 3.186 20 10 FGCDHM CCc1cc(=O)[n-]c(-c2ccc(N3CC=C(c4cccnc4)CC3)nc2)n1 ZINC000375354280 499510142 /nfs/dbraw/zinc/51/01/42/499510142.db2.gz SJGBGIZEMSZZIY-UHFFFAOYSA-N -1 3 359.433 3.495 20 10 FGCDHM [O-]c1ccccc1CN1CCC(O)(c2scnc2Br)CC1 ZINC000376008529 499575970 /nfs/dbraw/zinc/57/59/70/499575970.db2.gz SEKLTSYYRORENB-UHFFFAOYSA-N -1 3 369.284 3.095 20 10 FGCDHM Cc1ccc(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)c1 ZINC000737362100 598317862 /nfs/dbraw/zinc/31/78/62/598317862.db2.gz NDEUEPYOFJIIGD-UHFFFAOYSA-N -1 3 373.873 3.450 20 10 FGCDHM Cc1ccc(NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)c1 ZINC000737362100 598317865 /nfs/dbraw/zinc/31/78/65/598317865.db2.gz NDEUEPYOFJIIGD-UHFFFAOYSA-N -1 3 373.873 3.450 20 10 FGCDHM Cc1cc(C(=O)N(C(C)C)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227423 598751862 /nfs/dbraw/zinc/75/18/62/598751862.db2.gz LRUVQYYXQSPEJS-UHFFFAOYSA-N -1 3 364.453 3.287 20 10 FGCDHM CCCN(C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C1CC1 ZINC000736471426 598754633 /nfs/dbraw/zinc/75/46/33/598754633.db2.gz VXKJLBIXLFOMDP-UHFFFAOYSA-N -1 3 364.453 3.289 20 10 FGCDHM CCC(CC)(CC(=O)[O-])[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000828799593 601261460 /nfs/dbraw/zinc/26/14/60/601261460.db2.gz FYRGIUOIWIMHNU-UHFFFAOYSA-N -1 3 360.248 3.286 20 10 FGCDHM COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000833733724 605124991 /nfs/dbraw/zinc/12/49/91/605124991.db2.gz NLUOOLOVZGSDNN-STQMWFEESA-N -1 3 372.421 3.085 20 10 FGCDHM CN(Cc1c(O)ccc2ccncc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825953749 607848741 /nfs/dbraw/zinc/84/87/41/607848741.db2.gz OXSBMNGJIVGVIF-UHFFFAOYSA-N -1 3 366.812 3.410 20 10 FGCDHM COC(=O)CN(Cc1cnc(Cl)s1)Cc1cc(Cl)ccc1[O-] ZINC000079321576 700297746 /nfs/dbraw/zinc/29/77/46/700297746.db2.gz CKXAMDYQQZFGDF-UHFFFAOYSA-N -1 3 361.250 3.331 20 10 FGCDHM O=C(c1c(F)cccc1F)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000092589924 700438095 /nfs/dbraw/zinc/43/80/95/700438095.db2.gz RQBRVSHGLJGOQJ-UHFFFAOYSA-N -1 3 366.795 3.282 20 10 FGCDHM COC(=O)CN(Cc1ccc(Cl)nc1)Cc1cc(Cl)ccc1[O-] ZINC000173363104 705455802 /nfs/dbraw/zinc/45/58/02/705455802.db2.gz XADSHYYKPOTOHR-UHFFFAOYSA-N -1 3 355.221 3.269 20 10 FGCDHM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cccc(O)c1[O-] ZINC000804175939 724492481 /nfs/dbraw/zinc/49/24/81/724492481.db2.gz UMSGBUGLAANRIB-UHFFFAOYSA-N -1 3 355.312 3.311 20 10 FGCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000781911595 724611033 /nfs/dbraw/zinc/61/10/33/724611033.db2.gz MGEYCZYFOZIVKG-AAEUAGOBSA-N -1 3 368.193 3.351 20 10 FGCDHM O=S(=O)([N-]CCCSc1nccs1)c1cc(F)ccc1Cl ZINC000733899325 722501980 /nfs/dbraw/zinc/50/19/80/722501980.db2.gz GGJIWYSJERRMGC-UHFFFAOYSA-N -1 3 366.892 3.396 20 10 FGCDHM CCCC[C@H](CCC)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000754036971 722924090 /nfs/dbraw/zinc/92/40/90/722924090.db2.gz SVQJGAUKANTNKF-ZDUSSCGKSA-N -1 3 356.488 3.100 20 10 FGCDHM O=C([O-])[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(Br)c1 ZINC000756353099 722963304 /nfs/dbraw/zinc/96/33/04/722963304.db2.gz YZQNKUIWVQJWFJ-INIZCTEOSA-N -1 3 362.223 3.300 20 10 FGCDHM CCN(CC)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccsc1 ZINC000789957551 723088149 /nfs/dbraw/zinc/08/81/49/723088149.db2.gz UMYOCTARMDRHAQ-CYBMUJFWSA-N -1 3 352.431 3.111 20 10 FGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2nc(-c3cccs3)no2)c1[O-] ZINC000796099825 723621097 /nfs/dbraw/zinc/62/10/97/723621097.db2.gz OOTOUNYFFZBING-UHFFFAOYSA-N -1 3 361.398 3.477 20 10 FGCDHM CC(=O)c1cc(F)cc(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c1[O-] ZINC000767902831 723638945 /nfs/dbraw/zinc/63/89/45/723638945.db2.gz KYSKLJKSDPJNQB-INIZCTEOSA-N -1 3 363.351 3.259 20 10 FGCDHM C[C@@H]1CN(C[C@H]2CCCN2Cc2cc(Cl)cc(F)c2[O-])C[C@@H](C)O1 ZINC000775660700 724018503 /nfs/dbraw/zinc/01/85/03/724018503.db2.gz GWBDGTNRMRZTJI-XJKCOSOUSA-N -1 3 356.869 3.258 20 10 FGCDHM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(C)cc(Br)c1[O-] ZINC000786580081 724989868 /nfs/dbraw/zinc/98/98/68/724989868.db2.gz XKIYUGJCAYNHKR-LNSITVRQSA-N -1 3 368.271 3.237 20 10 FGCDHM CN(C)C(=O)OC[C@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000809708757 725261144 /nfs/dbraw/zinc/26/11/44/725261144.db2.gz JAEUZSNEQHCKHI-CYBMUJFWSA-N -1 3 371.275 3.207 20 10 FGCDHM C[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])C[C@@H](C)S1(=O)=O ZINC000811797069 725380428 /nfs/dbraw/zinc/38/04/28/725380428.db2.gz SSURPAKLGXIGIU-CHWSQXEVSA-N -1 3 359.447 3.299 20 10 FGCDHM O=S1(=O)CCN(Cc2ccc3ccccc3c2[O-])Cc2ccccc21 ZINC000816573525 727177215 /nfs/dbraw/zinc/17/72/15/727177215.db2.gz BFXOHDXOHFTKJB-UHFFFAOYSA-N -1 3 353.443 3.335 20 10 FGCDHM O=C([N-]CC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1)C(F)(F)F ZINC000816598972 727179105 /nfs/dbraw/zinc/17/91/05/727179105.db2.gz XZXONXRWASXLEL-UHFFFAOYSA-N -1 3 368.758 3.075 20 10 FGCDHM [O-]c1cc(Br)ccc1CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000824895172 729363952 /nfs/dbraw/zinc/36/39/52/729363952.db2.gz RRKKPUQLZGQPSS-CYBMUJFWSA-N -1 3 368.193 3.290 20 10 FGCDHM [O-]c1c(F)cc(Cl)cc1C[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826511045 729408303 /nfs/dbraw/zinc/40/83/03/729408303.db2.gz ZMAJZLOGNYZAJJ-UHFFFAOYSA-N -1 3 359.792 3.144 20 10 FGCDHM CCN(Cc1cn(CC2CC2)nn1)Cc1cc(Br)ccc1[O-] ZINC000827944553 729437659 /nfs/dbraw/zinc/43/76/59/729437659.db2.gz JHSJLLJTUJZDOS-UHFFFAOYSA-N -1 3 365.275 3.178 20 10 FGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@@H](CO)[C@H]1C(F)(F)F ZINC000843412903 730616907 /nfs/dbraw/zinc/61/69/07/730616907.db2.gz BJRSNGSJOOFTKS-ZANVPECISA-N -1 3 368.193 3.290 20 10 FGCDHM CC[C@H](NC(c1ccnn1C)c1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000858583545 732228643 /nfs/dbraw/zinc/22/86/43/732228643.db2.gz KOFZPKDXZSWGBO-AWEZNQCLSA-N -1 3 359.861 3.343 20 10 FGCDHM COCCN(Cc1cccnc1)Cc1c([O-])cccc1Br ZINC000862367557 732817467 /nfs/dbraw/zinc/81/74/67/732817467.db2.gz MYMHAZAMBLBNSB-UHFFFAOYSA-N -1 3 351.244 3.198 20 10 FGCDHM CCOc1cc(O)ccc1[N-]S(=O)(=O)CCc1c(F)cccc1F ZINC000863408912 732959479 /nfs/dbraw/zinc/95/94/79/732959479.db2.gz UBFJLDWGTZGPKP-UHFFFAOYSA-N -1 3 357.378 3.054 20 10 FGCDHM [O-]c1c(CNCc2cc3c(cc2OC(F)F)OCO3)ccc(F)c1F ZINC000877084681 736185619 /nfs/dbraw/zinc/18/56/19/736185619.db2.gz OBHBHIRLEKTVNP-UHFFFAOYSA-N -1 3 359.275 3.290 20 10 FGCDHM CC(C)c1nnc([C@H](C)NCc2cc(Br)cc(F)c2[O-])[nH]1 ZINC000883077945 737519028 /nfs/dbraw/zinc/51/90/28/737519028.db2.gz BSIQOBXNJUANIJ-QMMMGPOBSA-N -1 3 357.227 3.386 20 10 FGCDHM CC(C)c1nc([C@H](C)NCc2cc(Br)cc(F)c2[O-])n[nH]1 ZINC000883077945 737519034 /nfs/dbraw/zinc/51/90/34/737519034.db2.gz BSIQOBXNJUANIJ-QMMMGPOBSA-N -1 3 357.227 3.386 20 10 FGCDHM C[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1c([O-])cccc1F ZINC000886564075 739268721 /nfs/dbraw/zinc/26/87/21/739268721.db2.gz MRQQBRGUCONXFQ-GFCCVEGCSA-N -1 3 350.415 3.244 20 10 FGCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)[C@@H]1OCCc2sccc21 ZINC000922597038 758958596 /nfs/dbraw/zinc/95/85/96/758958596.db2.gz MRVBGNWPTPULEF-QFYYESIMSA-N -1 3 350.415 3.095 20 10 FGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(N3CCCOC3=O)CC2)c1[O-] ZINC000933617789 761439708 /nfs/dbraw/zinc/43/97/08/761439708.db2.gz BGXNYKQOGLBXEQ-UHFFFAOYSA-N -1 3 366.845 3.055 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CC[C@H]1CCCO1 ZINC000075416647 494759708 /nfs/dbraw/zinc/75/97/08/494759708.db2.gz MOZNLWGQHAWRBF-CQSZACIVSA-N -1 3 356.260 3.462 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1ccccn1 ZINC000080665377 494761423 /nfs/dbraw/zinc/76/14/23/494761423.db2.gz HHGPAZIBHAUROC-UHFFFAOYSA-N -1 3 364.243 3.281 20 10 FGCDHM CC(=O)N(Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1)C(C)C ZINC000182462223 495571613 /nfs/dbraw/zinc/57/16/13/495571613.db2.gz AYQZHNXPFZNOTQ-UHFFFAOYSA-N -1 3 356.422 3.415 20 10 FGCDHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)ccc1C ZINC000187062570 496275487 /nfs/dbraw/zinc/27/54/87/496275487.db2.gz CPQKTFHYPRMIBU-UHFFFAOYSA-N -1 3 362.451 3.385 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CCCOCC1 ZINC000181795181 496548735 /nfs/dbraw/zinc/54/87/35/496548735.db2.gz USASXUPXNYWIMD-AWEZNQCLSA-N -1 3 371.275 3.255 20 10 FGCDHM Cc1ccc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000158050411 496616555 /nfs/dbraw/zinc/61/65/55/496616555.db2.gz OTSRHQKYVPCWQK-SFHVURJKSA-N -1 3 373.884 3.072 20 10 FGCDHM C[C@H](NCc1cccnc1N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000185165704 496688558 /nfs/dbraw/zinc/68/85/58/496688558.db2.gz SYVRLCJWYYKPJE-AWEZNQCLSA-N -1 3 360.889 3.043 20 10 FGCDHM C[C@@H](NCc1ccnc(OCC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273303104 496768477 /nfs/dbraw/zinc/76/84/77/496768477.db2.gz CBVVVNCKLOBWAA-SNVBAGLBSA-N -1 3 371.315 3.487 20 10 FGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc3c(c2)OCCCO3)c1 ZINC000273600713 496850883 /nfs/dbraw/zinc/85/08/83/496850883.db2.gz RYFFPMSBBZYHSN-ZDUSSCGKSA-N -1 3 357.406 3.191 20 10 FGCDHM COc1c([O-])c(CN2CCC(OCCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278139952 497018615 /nfs/dbraw/zinc/01/86/15/497018615.db2.gz AROPIQQMOOPQAZ-UHFFFAOYSA-N -1 3 352.431 3.336 20 10 FGCDHM CC(=O)N1CCN(c2cccc(NCc3c([O-])cccc3Cl)c2)CC1 ZINC000275653155 497393455 /nfs/dbraw/zinc/39/34/55/497393455.db2.gz WNPKBAVQQAFOKO-UHFFFAOYSA-N -1 3 359.857 3.326 20 10 FGCDHM COc1ccc(NCc2cc(F)ccc2[O-])cc1-n1nnnc1C1CC1 ZINC000272495870 497643833 /nfs/dbraw/zinc/64/38/33/497643833.db2.gz VBEINZXQPBHRBG-UHFFFAOYSA-N -1 3 355.373 3.005 20 10 FGCDHM CC[C@H](C)NC(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000280659882 497845747 /nfs/dbraw/zinc/84/57/47/497845747.db2.gz KXVXMRNUQXIRRP-LBPRGKRZSA-N -1 3 373.409 3.449 20 10 FGCDHM COc1cc(C)cc2c1OCC[C@@H]2NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000364761632 498132611 /nfs/dbraw/zinc/13/26/11/498132611.db2.gz VWQIMNSZYZLBQZ-AWEZNQCLSA-N -1 3 374.393 3.239 20 10 FGCDHM Cc1cc(Br)cc(CN2CCOC[C@@H]2[C@@H]2CCCC2=O)c1[O-] ZINC000365148475 498322871 /nfs/dbraw/zinc/32/28/71/498322871.db2.gz DPRQSKDOOWWCEE-LSDHHAIUSA-N -1 3 368.271 3.033 20 10 FGCDHM COC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1cccc(Cl)c1 ZINC000290275014 498491602 /nfs/dbraw/zinc/49/16/02/498491602.db2.gz YINUYLTZRKIGTO-CQSZACIVSA-N -1 3 366.801 3.440 20 10 FGCDHM C[C@H](NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1cc(F)ccc1[O-] ZINC000369902572 499148805 /nfs/dbraw/zinc/14/88/05/499148805.db2.gz OJQJEKMEJPAYBF-VHSXEESVSA-N -1 3 358.339 3.098 20 10 FGCDHM [O-]c1ccc(Cl)cc1CNCc1nnc(-c2ccncc2F)s1 ZINC000373465769 499471537 /nfs/dbraw/zinc/47/15/37/499471537.db2.gz MHZYEGOFCKGLLZ-UHFFFAOYSA-N -1 3 350.806 3.388 20 10 FGCDHM [O-]c1ccc(Br)cc1CN[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000375389650 499513029 /nfs/dbraw/zinc/51/30/29/499513029.db2.gz GBFMYXLNTILTMY-OAHLLOKOSA-N -1 3 359.227 3.152 20 10 FGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1c1cccc2c1OCCC2 ZINC000375925540 499569160 /nfs/dbraw/zinc/56/91/60/499569160.db2.gz XGIADOTXFIQXNM-UHFFFAOYSA-N -1 3 372.808 3.339 20 10 FGCDHM COCCn1cc2c(n1)[C@@H](NCc1cc(Cl)cc(OC)c1[O-])CCC2 ZINC000376614347 499623250 /nfs/dbraw/zinc/62/32/50/499623250.db2.gz GLLMNLXFGWNHFX-HNNXBMFYSA-N -1 3 365.861 3.064 20 10 FGCDHM COc1c([O-])c(CN2CCC(=Cc3cc(C)on3)CC2)ccc1[N+](=O)[O-] ZINC000377188874 499669192 /nfs/dbraw/zinc/66/91/92/499669192.db2.gz MVNFHNFHCMUDSG-UHFFFAOYSA-N -1 3 359.382 3.285 20 10 FGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1C[C@H]1c1ccsc1 ZINC000530207223 503875388 /nfs/dbraw/zinc/87/53/88/503875388.db2.gz FBRFESVDYNAGCL-UONOGXRCSA-N -1 3 362.838 3.427 20 10 FGCDHM CC[C@H](NC(c1nccn1C)c1nccn1C)c1cc(Cl)ccc1[O-] ZINC000527944916 504009686 /nfs/dbraw/zinc/00/96/86/504009686.db2.gz IZMPRXZARQNXLD-AWEZNQCLSA-N -1 3 359.861 3.343 20 10 FGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnn(C2CC2)c1 ZINC000528832059 504404126 /nfs/dbraw/zinc/40/41/26/504404126.db2.gz NIMXVBJDEVGGBJ-UHFFFAOYSA-N -1 3 364.243 3.348 20 10 FGCDHM CN(C(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000821569285 599147042 /nfs/dbraw/zinc/14/70/42/599147042.db2.gz DOMRJTYHHBHMJG-HJWRWDBZSA-N -1 3 368.466 3.297 20 10 FGCDHM CN(C(=O)C=Cc1cnc(C(C)(C)C)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000821569285 599147044 /nfs/dbraw/zinc/14/70/44/599147044.db2.gz DOMRJTYHHBHMJG-HJWRWDBZSA-N -1 3 368.466 3.297 20 10 FGCDHM Cc1cc(C(=O)N2CCC(C)(C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168740 599205497 /nfs/dbraw/zinc/20/54/97/599205497.db2.gz QFWCCUKKMISFGE-UHFFFAOYSA-N -1 3 364.453 3.146 20 10 FGCDHM CC[C@H](C)CN(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736321602 598694322 /nfs/dbraw/zinc/69/43/22/598694322.db2.gz DGIUKVOIEITJIV-ZDUSSCGKSA-N -1 3 366.469 3.392 20 10 FGCDHM Oc1ccccc1CN(Cc1ccco1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000823732294 607385975 /nfs/dbraw/zinc/38/59/75/607385975.db2.gz KMYQNJODQGTKFG-UHFFFAOYSA-N -1 3 367.434 3.429 20 10 FGCDHM O=C([O-])NCCCOC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000832632524 604151219 /nfs/dbraw/zinc/15/12/19/604151219.db2.gz IRUSCCLPZXDROC-UHFFFAOYSA-N -1 3 358.438 3.184 20 10 FGCDHM Cc1cc(C(=O)N2CC[C@H](C)[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167751 606581771 /nfs/dbraw/zinc/58/17/71/606581771.db2.gz HPUWLBFQIXHLQI-GXTWGEPZSA-N -1 3 364.453 3.145 20 10 FGCDHM c1cc(OCCCOc2ccc(N3CCCC3)cc2)cc(-c2nnn[n-]2)c1 ZINC000823762866 606840151 /nfs/dbraw/zinc/84/01/51/606840151.db2.gz VJWHQHCQWSHZTP-UHFFFAOYSA-N -1 3 365.437 3.315 20 10 FGCDHM c1cc(OCCCOc2ccc(N3CCCC3)cc2)cc(-c2nn[n-]n2)c1 ZINC000823762866 606840152 /nfs/dbraw/zinc/84/01/52/606840152.db2.gz VJWHQHCQWSHZTP-UHFFFAOYSA-N -1 3 365.437 3.315 20 10 FGCDHM Fc1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826375599 608296231 /nfs/dbraw/zinc/29/62/31/608296231.db2.gz ULNBGVODMWKINO-UHFFFAOYSA-N -1 3 356.792 3.348 20 10 FGCDHM Fc1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)c(-c2nn[n-]n2)c1 ZINC000826375599 608296233 /nfs/dbraw/zinc/29/62/33/608296233.db2.gz ULNBGVODMWKINO-UHFFFAOYSA-N -1 3 356.792 3.348 20 10 FGCDHM