smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc(F)cc1CNCc1csnn1 ZINC000398334175 958214802 /nfs/dbraw/zinc/21/48/02/958214802.db2.gz OOHWQWCZQPXBFR-UHFFFAOYSA-N -1 3 239.275 1.673 20 10 BDCDHM O=C([O-])[C@]12C[C@H]1C[C@H]([NH2+]Cc1ccccc1[O-])C2 ZINC000712994564 963027033 /nfs/dbraw/zinc/02/70/33/963027033.db2.gz LEIZWHPBLWLCIE-SUNKGSAMSA-N -1 3 247.294 1.735 20 10 BDCDHM O=C(NC/C=C\Cl)c1cccc(O)c1[O-] ZINC001158551848 963883586 /nfs/dbraw/zinc/88/35/86/963883586.db2.gz GWWIKGPLGWFUPW-DJWKRKHSSA-N -1 3 227.647 1.580 20 10 BDCDHM O=C(N[C@@H]1CC12CCC2)c1cc(O)c([O-])c(O)c1 ZINC001148590242 973873418 /nfs/dbraw/zinc/87/34/18/973873418.db2.gz FQVJQEZNCFRRTR-SNVBAGLBSA-N -1 3 249.266 1.476 20 10 BDCDHM O=C1CN(Cc2ccc3ccccc3c2[O-])C1 ZINC001231880694 977782508 /nfs/dbraw/zinc/78/25/08/977782508.db2.gz CTZRBQQKDKDYLQ-UHFFFAOYSA-N -1 3 227.263 1.930 20 10 BDCDHM COC1CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232259905 977982169 /nfs/dbraw/zinc/98/21/69/977982169.db2.gz NFKKLIJZQQQFAE-UHFFFAOYSA-N -1 3 243.690 1.582 20 10 BDCDHM CN(C)C1CN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233331705 978563059 /nfs/dbraw/zinc/56/30/59/978563059.db2.gz HQFHMCFOWKCSPB-UHFFFAOYSA-N -1 3 242.269 1.416 20 10 BDCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@@H]1CO ZINC001233332552 978569575 /nfs/dbraw/zinc/56/95/75/978569575.db2.gz PBVLIIGYNWYPQT-MRVPVSSYSA-N -1 3 243.253 1.627 20 10 BDCDHM CC[C@H]([NH2+]Cc1ccc(C)cc1[O-])C(=O)[O-] ZINC001603959599 979545253 /nfs/dbraw/zinc/54/52/53/979545253.db2.gz ZPKGHWFKXIMPOA-JTQLQIEISA-N -1 3 223.272 1.653 20 10 BDCDHM N=CNC(=O)c1ccc([O-])c(O)c1Cl ZINC001193236712 981278174 /nfs/dbraw/zinc/27/81/74/981278174.db2.gz OGZPTVPROCSINI-UHFFFAOYSA-N -1 3 214.608 1.088 20 10 BDCDHM CCc1nnc(-c2cc(O)c([O-])c(O)c2)o1 ZINC001255061613 986805813 /nfs/dbraw/zinc/80/58/13/986805813.db2.gz SPIJCLDBBBJGNI-UHFFFAOYSA-N -1 3 222.200 1.416 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]1C1CC1 ZINC001325245688 989130012 /nfs/dbraw/zinc/13/00/12/989130012.db2.gz FBMMGIZRJZYNHZ-SNVBAGLBSA-N -1 3 233.267 1.722 20 10 BDCDHM [O-]c1c(F)cccc1CN1CCCC12COC2 ZINC001138127797 990885783 /nfs/dbraw/zinc/88/57/83/990885783.db2.gz QPCJXCULCKQLRG-UHFFFAOYSA-N -1 3 237.274 1.896 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CC2(CCO2)C1 ZINC001140055146 991511391 /nfs/dbraw/zinc/51/13/91/991511391.db2.gz LJSCWDVIMFOCEA-UHFFFAOYSA-N -1 3 223.247 1.506 20 10 BDCDHM C[C@H](O)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593462542 995386408 /nfs/dbraw/zinc/38/64/08/995386408.db2.gz MEEDHNAQPMNZNY-YUMQZZPRSA-N -1 3 239.271 1.122 20 10 BDCDHM [O-]c1c(F)cccc1CN1CCC(O)CC1 ZINC000272220546 187335587 /nfs/dbraw/zinc/33/55/87/187335587.db2.gz BWXREELMYXSGTO-UHFFFAOYSA-N -1 3 225.263 1.488 20 10 BDCDHM Cc1nc2n(n1)CCN(Cc1ccccc1[O-])C2 ZINC000272227617 180112131 /nfs/dbraw/zinc/11/21/31/180112131.db2.gz DCWPDXRZCKLYSU-UHFFFAOYSA-N -1 3 244.298 1.308 20 10 BDCDHM [O-]c1c(F)cccc1CN1CCC[C@H](O)C1 ZINC000272292792 188026375 /nfs/dbraw/zinc/02/63/75/188026375.db2.gz OHCRMMVYPFWPRO-JTQLQIEISA-N -1 3 225.263 1.488 20 10 BDCDHM O=C(NN1CCCCC1)c1cccc(O)c1[O-] ZINC000126514750 182277082 /nfs/dbraw/zinc/27/70/82/182277082.db2.gz IRSYPQUPCKTOQX-UHFFFAOYSA-N -1 3 236.271 1.229 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CCO[C@H]2C[C@H]21 ZINC000366563538 183275459 /nfs/dbraw/zinc/27/54/59/183275459.db2.gz YDBJRPSYVSXILU-PWSUYJOCSA-N -1 3 223.247 1.504 20 10 BDCDHM CC/C=C/CNC(=O)c1cccc(O)c1[O-] ZINC000295933251 383890171 /nfs/dbraw/zinc/89/01/71/383890171.db2.gz KEGVXRAFNWTFJF-ONEGZZNKSA-N -1 3 221.256 1.794 20 10 BDCDHM CC[C@H]1C(=O)NCCN1Cc1ccccc1[O-] ZINC000179569584 385474628 /nfs/dbraw/zinc/47/46/28/385474628.db2.gz GGLCHVFBJMYZOX-NSHDSACASA-N -1 3 234.299 1.103 20 10 BDCDHM CNC(=O)[C@H](C)N[C@H](C)c1ccc(F)cc1[O-] ZINC000062748173 173303721 /nfs/dbraw/zinc/30/37/21/173303721.db2.gz FKZFUTRGCJQRDI-SFYZADRCSA-N -1 3 240.278 1.316 20 10 BDCDHM N[C@@H]1CN(Cc2cccc(F)c2[O-])CC[C@H]1F ZINC000853247875 588728966 /nfs/dbraw/zinc/72/89/66/588728966.db2.gz DSJGSAOIVNATJC-MWLCHTKSSA-N -1 3 242.269 1.402 20 10 BDCDHM O=C(N[C@H](CO)C1CCC1)c1cc([O-])cs1 ZINC000855264438 588826899 /nfs/dbraw/zinc/82/68/99/588826899.db2.gz QJVMABNMARGSFQ-SECBINFHSA-N -1 3 241.312 1.345 20 10 BDCDHM O=C(NOCC1CCC1)c1cccc(O)c1[O-] ZINC000856350193 588869590 /nfs/dbraw/zinc/86/95/90/588869590.db2.gz FIBFNPGBHWSRFW-UHFFFAOYSA-N -1 3 237.255 1.559 20 10 BDCDHM O=C(N[C@@H]1CCn2cncc21)c1cc([O-])cs1 ZINC000857980048 588927493 /nfs/dbraw/zinc/92/74/93/588927493.db2.gz SAQHJEWHXAVMLP-MRVPVSSYSA-N -1 3 249.295 1.525 20 10 BDCDHM CN(C[C@@H]1CCCO1)C(=O)c1cc([O-])cs1 ZINC000731873399 584930264 /nfs/dbraw/zinc/93/02/64/584930264.db2.gz NZDWAPNWWJFUNE-VIFPVBQESA-N -1 3 241.312 1.705 20 10 BDCDHM C[C@H]1C[C@@H]1CNC(=O)c1cc([O-])cs1 ZINC000732269648 584935259 /nfs/dbraw/zinc/93/52/59/584935259.db2.gz GVVHOSGSIQXJGC-NKWVEPMBSA-N -1 3 211.286 1.840 20 10 BDCDHM O=C(OC[C@@H]1CCOC1)c1cc([O-])cs1 ZINC000732354836 584936159 /nfs/dbraw/zinc/93/61/59/584936159.db2.gz SVHDDJAWZRNHME-SSDOTTSWSA-N -1 3 228.269 1.647 20 10 BDCDHM CC(=O)NCCCOC(=O)c1cc([O-])cs1 ZINC000732354890 584936228 /nfs/dbraw/zinc/93/62/28/584936228.db2.gz VPCHTFOGXQPRLU-UHFFFAOYSA-N -1 3 243.284 1.137 20 10 BDCDHM CC[C@@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000748355411 585191734 /nfs/dbraw/zinc/19/17/34/585191734.db2.gz KEQXIGHXBDVQLA-SNVBAGLBSA-N -1 3 229.301 1.345 20 10 BDCDHM C[C@@H](O)C[C@@H](C)CNC(=O)c1cc([O-])cs1 ZINC000748375759 585192067 /nfs/dbraw/zinc/19/20/67/585192067.db2.gz NDEAFWMGCPLENE-HTQZYQBOSA-N -1 3 243.328 1.591 20 10 BDCDHM CC(C)OCCNC(=O)c1cc([O-])cs1 ZINC000758718241 585359097 /nfs/dbraw/zinc/35/90/97/585359097.db2.gz JVIQVMCUVJKKQT-UHFFFAOYSA-N -1 3 229.301 1.609 20 10 BDCDHM C[C@@H](CCCO)NC(=O)c1cc([O-])cs1 ZINC000760173975 585386179 /nfs/dbraw/zinc/38/61/79/585386179.db2.gz QRBXGTWMSXBZFH-ZETCQYMHSA-N -1 3 229.301 1.345 20 10 BDCDHM CC[C@@H]1CN(C(=O)c2cc([O-])cs2)C[C@H]1O ZINC000760978887 585403002 /nfs/dbraw/zinc/40/30/02/585403002.db2.gz CRLMGALHHGWRGG-VXNVDRBHSA-N -1 3 241.312 1.297 20 10 BDCDHM COC(=O)C(C)(C)N(C)Cc1ccccc1[O-] ZINC000770510839 585575323 /nfs/dbraw/zinc/57/53/23/585575323.db2.gz RNINLMIMCYFBBG-UHFFFAOYSA-N -1 3 237.299 1.776 20 10 BDCDHM CC[C@H](O)CCNC(=O)c1cc([O-])cs1 ZINC000772475200 585616168 /nfs/dbraw/zinc/61/61/68/585616168.db2.gz BOFBUAHWXBUQJD-ZETCQYMHSA-N -1 3 229.301 1.345 20 10 BDCDHM CCOC[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000779461733 585755615 /nfs/dbraw/zinc/75/56/15/585755615.db2.gz JYSDQCVVWZIBRU-ZETCQYMHSA-N -1 3 229.301 1.609 20 10 BDCDHM C[C@H]1C[C@@H](O)CN1C(=O)c1cc([O-])cs1 ZINC000788592310 585927552 /nfs/dbraw/zinc/92/75/52/585927552.db2.gz QCIVDCWNTLVIST-NKWVEPMBSA-N -1 3 227.285 1.049 20 10 BDCDHM CC1(C)CN(C(=O)c2cc([O-])cs2)C[C@H]1O ZINC000791083154 585973850 /nfs/dbraw/zinc/97/38/50/585973850.db2.gz OSRAZUMQXOLBAP-SECBINFHSA-N -1 3 241.312 1.297 20 10 BDCDHM Cc1ccc(C(=O)N2CC(C3CC3)C2)c([O-])c1O ZINC000794499413 586041123 /nfs/dbraw/zinc/04/11/23/586041123.db2.gz OQQBLJHOJSENRL-UHFFFAOYSA-N -1 3 247.294 1.888 20 10 BDCDHM [O-]c1ccccc1CN1CCOCC12CC2 ZINC000802658447 586308534 /nfs/dbraw/zinc/30/85/34/586308534.db2.gz BEIPIBVMDFMZFF-UHFFFAOYSA-N -1 3 219.284 1.757 20 10 BDCDHM C[C@H](CO)N(C)Cc1c([O-])ccc(Cl)c1F ZINC000809744948 586516498 /nfs/dbraw/zinc/51/64/98/586516498.db2.gz AGZCASJPHUNKRM-SSDOTTSWSA-N -1 3 247.697 1.997 20 10 BDCDHM COc1cccc([O-])c1CNCc1cncn1C ZINC000810160153 586535973 /nfs/dbraw/zinc/53/59/73/586535973.db2.gz WJQVOKFMNZLNPT-UHFFFAOYSA-N -1 3 247.298 1.424 20 10 BDCDHM C[C@H](NCC(F)(F)CN)c1ccccc1[O-] ZINC000817966521 586854821 /nfs/dbraw/zinc/85/48/21/586854821.db2.gz PNRQVOGZQXZJIO-QMMMGPOBSA-N -1 3 230.258 1.637 20 10 BDCDHM O=C([O-])CCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000821522335 587125130 /nfs/dbraw/zinc/12/51/30/587125130.db2.gz VPFDWQRGRKFIOO-UHFFFAOYSA-N -1 3 241.262 1.876 20 10 BDCDHM C/C(=C\C[N@@H+](C)Cc1ccccc1[O-])C(=O)[O-] ZINC000825729641 587334434 /nfs/dbraw/zinc/33/44/34/587334434.db2.gz JAUUHHGQXQKYNT-JXMROGBWSA-N -1 3 235.283 1.855 20 10 BDCDHM C/C(=C\C[N@H+](C)Cc1ccccc1[O-])C(=O)[O-] ZINC000825729641 587334436 /nfs/dbraw/zinc/33/44/36/587334436.db2.gz JAUUHHGQXQKYNT-JXMROGBWSA-N -1 3 235.283 1.855 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCOC1 ZINC000830180519 587540264 /nfs/dbraw/zinc/54/02/64/587540264.db2.gz OYXMTLCWSBBSJM-MRVPVSSYSA-N -1 3 239.246 1.184 20 10 BDCDHM CCON(CC)C(=O)c1cccc(O)c1[O-] ZINC000831466924 587611085 /nfs/dbraw/zinc/61/10/85/587611085.db2.gz AIQLJMDAADGXHH-UHFFFAOYSA-N -1 3 225.244 1.511 20 10 BDCDHM C[C@H](F)CCNC(=O)c1cc([O-])cs1 ZINC000832884401 587693988 /nfs/dbraw/zinc/69/39/88/587693988.db2.gz RTZQREGGGUZHKR-LURJTMIESA-N -1 3 217.265 1.932 20 10 BDCDHM CCC[C@@H](CNC(=O)c1cc([O-])cs1)OC ZINC000833372277 587710307 /nfs/dbraw/zinc/71/03/07/587710307.db2.gz PFPIUFOTFXXLKM-VIFPVBQESA-N -1 3 243.328 1.999 20 10 BDCDHM COC(=O)[C@H](CC1CC1)NCc1ccccc1[O-] ZINC000840957719 587931883 /nfs/dbraw/zinc/93/18/83/587931883.db2.gz MPGJWBDCEAHKKJ-LBPRGKRZSA-N -1 3 249.310 1.824 20 10 BDCDHM Nc1ccc(NC(=O)[N-]OCC2CC2)cc1 ZINC000841298406 587950658 /nfs/dbraw/zinc/95/06/58/587950658.db2.gz CRZCBNYUEVYVDM-UHFFFAOYSA-N -1 3 221.260 1.732 20 10 BDCDHM COCC1(CNC(=O)c2cc([O-])cs2)CC1 ZINC000848390592 588375931 /nfs/dbraw/zinc/37/59/31/588375931.db2.gz BLXZKIAGTBPUND-UHFFFAOYSA-N -1 3 241.312 1.610 20 10 BDCDHM Cc1cc([O-])c(C[NH2+]C[C@H](C)C(=O)[O-])cc1C ZINC000848637329 588403210 /nfs/dbraw/zinc/40/32/10/588403210.db2.gz FTTTYPGMAVBSBG-JTQLQIEISA-N -1 3 237.299 1.819 20 10 BDCDHM CC[C@H](OC(=O)c1cc([O-])cs1)C(C)=O ZINC000873359070 590030211 /nfs/dbraw/zinc/03/02/11/590030211.db2.gz GWMXZAJYFNROCN-QMMMGPOBSA-N -1 3 228.269 1.978 20 10 BDCDHM [O-]c1c(CN2CCC[C@H](O)C2)ccc(F)c1F ZINC000876527346 590209062 /nfs/dbraw/zinc/20/90/62/590209062.db2.gz AXEDMAKIUSPEPL-VIFPVBQESA-N -1 3 243.253 1.627 20 10 BDCDHM CCOC(=O)CN(C)Cc1ccc(C)cc1[O-] ZINC000876565449 590216778 /nfs/dbraw/zinc/21/67/78/590216778.db2.gz JHDPZVQTDSWADQ-UHFFFAOYSA-N -1 3 237.299 1.696 20 10 BDCDHM CC[C@H]1C(=O)NCCN1Cc1ccc(C)cc1[O-] ZINC000876686041 590230134 /nfs/dbraw/zinc/23/01/34/590230134.db2.gz NRPMTUJUZYKKJV-LBPRGKRZSA-N -1 3 248.326 1.411 20 10 BDCDHM CCN(CC(=O)OC)Cc1ccc(C)cc1[O-] ZINC000876685931 590230559 /nfs/dbraw/zinc/23/05/59/590230559.db2.gz MYBJTZFWGXPYAH-UHFFFAOYSA-N -1 3 237.299 1.696 20 10 BDCDHM CN(Cc1ccco1)C(=O)c1cccc(O)c1[O-] ZINC000126254963 590260898 /nfs/dbraw/zinc/26/08/98/590260898.db2.gz PUNDIEYGZMWGRR-UHFFFAOYSA-N -1 3 247.250 1.963 20 10 BDCDHM CCN1CCN(Cc2ccc(C)cc2[O-])CC1=O ZINC000877338312 590317613 /nfs/dbraw/zinc/31/76/13/590317613.db2.gz CCBUWAAIYKAMSP-UHFFFAOYSA-N -1 3 248.326 1.365 20 10 BDCDHM CCOC(=O)[C@@H](C)NCc1c(C)cccc1[O-] ZINC000877470342 590334549 /nfs/dbraw/zinc/33/45/49/590334549.db2.gz CDEMEVMCNWNEMK-SNVBAGLBSA-N -1 3 237.299 1.742 20 10 BDCDHM COC(=O)[C@H](NCc1ccc(C)cc1[O-])C1CC1 ZINC000877471475 590334685 /nfs/dbraw/zinc/33/46/85/590334685.db2.gz TUPORNNIZYKZNN-CYBMUJFWSA-N -1 3 249.310 1.742 20 10 BDCDHM Cc1ccc(CN(C)Cc2nncn2C)c([O-])c1 ZINC000877530772 590349507 /nfs/dbraw/zinc/34/95/07/590349507.db2.gz XGBIGSZCOOQKEB-UHFFFAOYSA-N -1 3 246.314 1.461 20 10 BDCDHM Cc1cccc([O-])c1CN1CC(=O)N[C@@H](C)C1 ZINC000877567111 590361902 /nfs/dbraw/zinc/36/19/02/590361902.db2.gz GOMOKKHXHKRWPL-JTQLQIEISA-N -1 3 234.299 1.021 20 10 BDCDHM COc1ccc(CNCc2ccn(C)n2)c([O-])c1 ZINC000213105634 591448890 /nfs/dbraw/zinc/44/88/90/591448890.db2.gz XIQVLXBKZNLXHK-UHFFFAOYSA-N -1 3 247.298 1.424 20 10 BDCDHM C[C@@H](NCc1ccn(C)n1)c1ccccc1[O-] ZINC000213218877 591455773 /nfs/dbraw/zinc/45/57/73/591455773.db2.gz BYNNPSIUYNDCQN-SNVBAGLBSA-N -1 3 231.299 1.977 20 10 BDCDHM C[C@@H]1CCC(=O)CN1C(=O)c1cc([O-])cs1 ZINC000885079611 592047692 /nfs/dbraw/zinc/04/76/92/592047692.db2.gz ZBALNFXBTVSBNQ-SSDOTTSWSA-N -1 3 239.296 1.647 20 10 BDCDHM C[C@H](CC[NH2+]Cc1ccccc1[O-])NC(=O)[O-] ZINC000738909176 602649886 /nfs/dbraw/zinc/64/98/86/602649886.db2.gz ZZZOXMZGRBTSIK-SECBINFHSA-N -1 3 238.287 1.528 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CCn2ccnc2C1 ZINC000226564290 640775684 /nfs/dbraw/zinc/77/56/84/640775684.db2.gz GTPOLKDWQYABRA-UHFFFAOYSA-N -1 3 247.273 1.744 20 10 BDCDHM CC[S@](C)(=O)=NC(=O)c1cc([O-])cs1 ZINC000925818249 646494008 /nfs/dbraw/zinc/49/40/08/646494008.db2.gz BKTVMGSTQMHYFW-AWEZNQCLSA-N -1 3 233.314 1.712 20 10 BDCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](CO)C1 ZINC001233334877 978566776 /nfs/dbraw/zinc/56/67/76/978566776.db2.gz XNXKULPCGAXOPU-MRVPVSSYSA-N -1 3 243.253 1.485 20 10 BDCDHM [O-]c1cc(F)c(F)cc1CN1CC(CO)C1 ZINC001142524923 961479855 /nfs/dbraw/zinc/47/98/55/961479855.db2.gz PSRXYVZDXAEXLF-UHFFFAOYSA-N -1 3 229.226 1.095 20 10 BDCDHM C[C@@H]1C[C@@H](O)CN1Cc1cc(F)c(F)cc1[O-] ZINC001142508993 964344416 /nfs/dbraw/zinc/34/44/16/964344416.db2.gz SCCOWNDSTJFFEH-VXNVDRBHSA-N -1 3 243.253 1.626 20 10 BDCDHM Cc1nocc1NC(=O)c1cccc(O)c1[O-] ZINC001164199766 965792061 /nfs/dbraw/zinc/79/20/61/965792061.db2.gz ZWZDFTREDZANLF-UHFFFAOYSA-N -1 3 234.211 1.647 20 10 BDCDHM C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CO1 ZINC000401487456 970695857 /nfs/dbraw/zinc/69/58/57/970695857.db2.gz XZWHEORVCJOKKG-YUMQZZPRSA-N -1 3 237.255 1.005 20 10 BDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccno1 ZINC001148224994 973818608 /nfs/dbraw/zinc/81/86/08/973818608.db2.gz BEKOSSSMEDLSNO-SSDOTTSWSA-N -1 3 248.238 1.577 20 10 BDCDHM C[C@H]1CCN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581791 973867709 /nfs/dbraw/zinc/86/77/09/973867709.db2.gz ARVWBAXNJOSYTO-LURJTMIESA-N -1 3 223.228 1.038 20 10 BDCDHM O=C([O-])[C@@H](CC1CC1)[NH2+]Cc1ccccc1[O-] ZINC001334776627 976643780 /nfs/dbraw/zinc/64/37/80/976643780.db2.gz HGFMEIRSAOCMAV-LLVKDONJSA-N -1 3 235.283 1.735 20 10 BDCDHM Cc1ccc(C[N@@H+](CC(=O)[O-])C(C)C)c([O-])c1 ZINC001594359952 977632958 /nfs/dbraw/zinc/63/29/58/977632958.db2.gz CCAHQMSHCOMFGS-UHFFFAOYSA-N -1 3 237.299 1.996 20 10 BDCDHM Cc1ccc(C[N@H+](CC(=O)[O-])C(C)C)c([O-])c1 ZINC001594359952 977632963 /nfs/dbraw/zinc/63/29/63/977632963.db2.gz CCAHQMSHCOMFGS-UHFFFAOYSA-N -1 3 237.299 1.996 20 10 BDCDHM O=C([O-])[C@@H](CF)[NH2+]Cc1cc(F)ccc1[O-] ZINC001601651338 978826457 /nfs/dbraw/zinc/82/64/57/978826457.db2.gz TYBDYALZCYYUBP-MRVPVSSYSA-N -1 3 231.198 1.044 20 10 BDCDHM COCC1CN(Cc2c([O-])cccc2F)C1 ZINC001137831586 990852998 /nfs/dbraw/zinc/85/29/98/990852998.db2.gz GNWKTXKYOMHFGT-UHFFFAOYSA-N -1 3 225.263 1.610 20 10 BDCDHM [O-]c1cccc(F)c1CN1CCCC12COC2 ZINC001137837663 990855158 /nfs/dbraw/zinc/85/51/58/990855158.db2.gz QDRZCFXCVKQJSO-UHFFFAOYSA-N -1 3 237.274 1.896 20 10 BDCDHM C[C@@H]1C[C@H](O)CN1Cc1c([O-])c(F)ccc1F ZINC001139685719 991321636 /nfs/dbraw/zinc/32/16/36/991321636.db2.gz UYLZWCGQBOQHJJ-SFYZADRCSA-N -1 3 243.253 1.626 20 10 BDCDHM Cn1nncc1NCc1c([O-])cccc1Cl ZINC001560620262 991523441 /nfs/dbraw/zinc/52/34/41/991523441.db2.gz TWEQNDQYFYHMKT-UHFFFAOYSA-N -1 3 238.678 1.786 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CCCSC1 ZINC001262643175 992994719 /nfs/dbraw/zinc/99/47/19/992994719.db2.gz GAQZWLZGCJUADS-UHFFFAOYSA-N -1 3 239.296 1.634 20 10 BDCDHM O=C(Cc1ccc(O)c(O)c1)[N-]OC1CCC1 ZINC001298075441 994896448 /nfs/dbraw/zinc/89/64/48/994896448.db2.gz GLOVVDWHBHJIJU-UHFFFAOYSA-N -1 3 237.255 1.241 20 10 BDCDHM CN(Cc1cc[nH]n1)Cc1ccccc1[O-] ZINC000091974709 398304232 /nfs/dbraw/zinc/30/42/32/398304232.db2.gz YZFZTOIKONKLFK-UHFFFAOYSA-N -1 3 217.272 1.747 20 10 BDCDHM COC(=O)[C@H](C)NCc1ccccc1[O-] ZINC000037073849 343144008 /nfs/dbraw/zinc/14/40/08/343144008.db2.gz GFYYFTHUQFUFNK-QMMMGPOBSA-N -1 3 209.245 1.043 20 10 BDCDHM CC[C@H](NCc1nncn1C)c1ccccc1[O-] ZINC000038007445 343365104 /nfs/dbraw/zinc/36/51/04/343365104.db2.gz DKYJEFZHQYETTA-NSHDSACASA-N -1 3 246.314 1.762 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CCO[C@@H]2C[C@@H]21 ZINC000366563536 183274576 /nfs/dbraw/zinc/27/45/76/183274576.db2.gz YDBJRPSYVSXILU-CMPLNLGQSA-N -1 3 223.247 1.504 20 10 BDCDHM CCCN(Cc1ccccc1[O-])[C@@H]1CCOC1=O ZINC000076074459 169179933 /nfs/dbraw/zinc/17/99/33/169179933.db2.gz TVXNBXNKAUNTTF-GFCCVEGCSA-N -1 3 249.310 1.920 20 10 BDCDHM C[C@@H](C(=O)N(C)C)N(C)Cc1ccccc1[O-] ZINC000121144808 384401713 /nfs/dbraw/zinc/40/17/13/384401713.db2.gz IAXFCPAQNYBALF-JTQLQIEISA-N -1 3 236.315 1.301 20 10 BDCDHM CC(=O)c1cc(F)cc(CN(C)CCO)c1[O-] ZINC000050134640 384596502 /nfs/dbraw/zinc/59/65/02/384596502.db2.gz MWAOFBNDFYDAII-UHFFFAOYSA-N -1 3 241.262 1.158 20 10 BDCDHM CC(C)(O)C1CN(Cc2cccc(F)c2[O-])C1 ZINC000297414459 384809094 /nfs/dbraw/zinc/80/90/94/384809094.db2.gz MVEYEOGZXOPNRY-UHFFFAOYSA-N -1 3 239.290 1.734 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](C2CC2)C1 ZINC000365967411 384916652 /nfs/dbraw/zinc/91/66/52/384916652.db2.gz LZSLDDRVFMGPTL-JTQLQIEISA-N -1 3 247.294 1.970 20 10 BDCDHM CO[C@@H](C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000189627370 385173899 /nfs/dbraw/zinc/17/38/99/385173899.db2.gz GWTBAPXSSPDDQQ-QMMMGPOBSA-N -1 3 239.271 1.171 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CCC=C(F)C1 ZINC000279835179 385212916 /nfs/dbraw/zinc/21/29/16/385212916.db2.gz NQNHCVDLTOAHKN-UHFFFAOYSA-N -1 3 237.230 1.797 20 10 BDCDHM Cc1ccc(C(=O)NCC2CCC2)c([O-])c1O ZINC000177671500 385271122 /nfs/dbraw/zinc/27/11/22/385271122.db2.gz OMVYQSKDXSITPS-UHFFFAOYSA-N -1 3 235.283 1.936 20 10 BDCDHM CCOCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000177673148 385271193 /nfs/dbraw/zinc/27/11/93/385271193.db2.gz RQJVVWAZYUJHMF-UHFFFAOYSA-N -1 3 239.271 1.173 20 10 BDCDHM CC(C)N(CC(N)=O)Cc1cc(F)ccc1[O-] ZINC000179885584 385498150 /nfs/dbraw/zinc/49/81/50/385498150.db2.gz GZUTVFSACQDVHW-UHFFFAOYSA-N -1 3 240.278 1.227 20 10 BDCDHM CC[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126539045 171008610 /nfs/dbraw/zinc/00/86/10/171008610.db2.gz NCAFMGNEUDXVCG-SECBINFHSA-N -1 3 235.283 1.970 20 10 BDCDHM CCn1cnnc1CN[C@@H](C)c1ccccc1[O-] ZINC000228791317 172237009 /nfs/dbraw/zinc/23/70/09/172237009.db2.gz YBTYOYYAPVLCOZ-JTQLQIEISA-N -1 3 246.314 1.854 20 10 BDCDHM COc1ccc([O-])c(C[NH2+]CCCC(=O)[O-])c1 ZINC000037417241 175158903 /nfs/dbraw/zinc/15/89/03/175158903.db2.gz SBRVMTLJPFZYNL-UHFFFAOYSA-N -1 3 239.271 1.355 20 10 BDCDHM C[C@@]1(NCc2cc(F)ccc2[O-])CCOC1=O ZINC000290824631 176539301 /nfs/dbraw/zinc/53/93/01/176539301.db2.gz HBPLAAMGTFQKAT-GFCCVEGCSA-N -1 3 239.246 1.327 20 10 BDCDHM C[C@@H](CC(C)(C)O)NC(=O)c1cc([O-])cs1 ZINC000854762017 588805870 /nfs/dbraw/zinc/80/58/70/588805870.db2.gz SNWPTOBHQSNJTD-ZETCQYMHSA-N -1 3 243.328 1.733 20 10 BDCDHM Cc1ccc(C(=O)N2CCC23COC3)c([O-])c1O ZINC000854838325 588812796 /nfs/dbraw/zinc/81/27/96/588812796.db2.gz JHJSARUXQMEGDL-UHFFFAOYSA-N -1 3 249.266 1.021 20 10 BDCDHM Cc1ccc(C(=O)N[C@@H]2C=CCC2)c([O-])c1O ZINC000855429853 588834763 /nfs/dbraw/zinc/83/47/63/588834763.db2.gz QETKSEMDHYSPPD-SECBINFHSA-N -1 3 233.267 1.855 20 10 BDCDHM O=C(N[C@H]1CC12CC(O)C2)c1cc([O-])cs1 ZINC000888953786 583147265 /nfs/dbraw/zinc/14/72/65/583147265.db2.gz XDFKJLVBDFSJDC-DMGUCSGOSA-N -1 3 239.296 1.097 20 10 BDCDHM COc1cccc([O-])c1CN(C)Cc1ncc[nH]1 ZINC000894583695 583489770 /nfs/dbraw/zinc/48/97/70/583489770.db2.gz JWVHGFVLJKOWSU-UHFFFAOYSA-N -1 3 247.298 1.756 20 10 BDCDHM CN(Cc1cc(F)cc(F)c1[O-])C1(CO)CC1 ZINC000895354827 583657569 /nfs/dbraw/zinc/65/75/69/583657569.db2.gz SNYSRWGOFFIRPW-UHFFFAOYSA-N -1 3 243.253 1.627 20 10 BDCDHM CO[C@H]1CN(Cc2ccc(C)cc2[O-])CCO1 ZINC000895961830 583751146 /nfs/dbraw/zinc/75/11/46/583751146.db2.gz FNGBSBHYXDYFGZ-CYBMUJFWSA-N -1 3 237.299 1.505 20 10 BDCDHM CO[C@@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000895968591 583755024 /nfs/dbraw/zinc/75/50/24/583755024.db2.gz DPEFHLMSTUJIBK-LBPRGKRZSA-N -1 3 223.272 1.197 20 10 BDCDHM CN(Cc1cn(C)cn1)Cc1ccccc1[O-] ZINC000788018966 583894386 /nfs/dbraw/zinc/89/43/86/583894386.db2.gz IFCJPCJPRXYPPV-UHFFFAOYSA-N -1 3 231.299 1.758 20 10 BDCDHM C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@@H]1O ZINC000897675626 584035195 /nfs/dbraw/zinc/03/51/95/584035195.db2.gz AXLIZIICRFTAPO-CPCISQLKSA-N -1 3 243.253 1.483 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CC[C@H](O)[C@@H](F)C1 ZINC000898187867 584094215 /nfs/dbraw/zinc/09/42/15/584094215.db2.gz MKSNVMUEYZAPJJ-JQWIXIFHSA-N -1 3 243.253 1.436 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCC[C@H](O)C1 ZINC000732258432 584934921 /nfs/dbraw/zinc/93/49/21/584934921.db2.gz ABNAMFJDXBYMNF-ZETCQYMHSA-N -1 3 227.285 1.051 20 10 BDCDHM CC[C@H]1CN(C(=O)c2cc([O-])cs2)CCO1 ZINC000732266446 584935086 /nfs/dbraw/zinc/93/50/86/584935086.db2.gz BNYUOBVRXSZFJX-VIFPVBQESA-N -1 3 241.312 1.705 20 10 BDCDHM O=C(Nc1c[nH]ccc1=O)c1cc([O-])cs1 ZINC000732271398 584935257 /nfs/dbraw/zinc/93/52/57/584935257.db2.gz VNQURWKOJGTMBG-UHFFFAOYSA-N -1 3 236.252 1.394 20 10 BDCDHM COC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732354655 584936167 /nfs/dbraw/zinc/93/61/67/584936167.db2.gz PNAVVPSWPNKGDM-RXMQYKEDSA-N -1 3 230.241 1.172 20 10 BDCDHM CCn1nncc1CN(C)Cc1ccccc1[O-] ZINC000838895513 585079174 /nfs/dbraw/zinc/07/91/74/585079174.db2.gz NUQDSQRIVFTRDC-UHFFFAOYSA-N -1 3 246.314 1.636 20 10 BDCDHM COc1cccc([O-])c1CN1CC(C)(OC)C1 ZINC000839102106 585090986 /nfs/dbraw/zinc/09/09/86/585090986.db2.gz JWLKFQKYGFRRNR-UHFFFAOYSA-N -1 3 237.299 1.622 20 10 BDCDHM COC(C)(C)CNC(=O)c1cc([O-])cs1 ZINC000743719943 585138810 /nfs/dbraw/zinc/13/88/10/585138810.db2.gz BNVUPMYAZSVDNZ-UHFFFAOYSA-N -1 3 229.301 1.609 20 10 BDCDHM C[C@@H](O)C[C@H](C)CNC(=O)c1cc([O-])cs1 ZINC000748375762 585191919 /nfs/dbraw/zinc/19/19/19/585191919.db2.gz NDEAFWMGCPLENE-JGVFFNPUSA-N -1 3 243.328 1.591 20 10 BDCDHM C[C@H](C[C@H](C)O)NC(=O)c1cc([O-])cs1 ZINC000753469073 585259432 /nfs/dbraw/zinc/25/94/32/585259432.db2.gz YQBULPKECJMYHW-RQJHMYQMSA-N -1 3 229.301 1.343 20 10 BDCDHM CC[C@@H]1COCCN1C(=O)c1cc([O-])cs1 ZINC000754904928 585292032 /nfs/dbraw/zinc/29/20/32/585292032.db2.gz BQYAAGNGFSJZBD-MRVPVSSYSA-N -1 3 241.312 1.705 20 10 BDCDHM O=C(NC[C@H]1CCC[C@@H]1O)c1cc([O-])cs1 ZINC000754904924 585292150 /nfs/dbraw/zinc/29/21/50/585292150.db2.gz BMFGOQZPTVUODB-APPZFPTMSA-N -1 3 241.312 1.345 20 10 BDCDHM CC(C)[C@H]1CCN1C(=O)c1cccc(O)c1[O-] ZINC000839782015 585341547 /nfs/dbraw/zinc/34/15/47/585341547.db2.gz DUBSCKIAKPZVLL-SNVBAGLBSA-N -1 3 235.283 1.968 20 10 BDCDHM CC1(C)COC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000839787989 585342106 /nfs/dbraw/zinc/34/21/06/585342106.db2.gz URHDUJSQBKCHFG-VIFPVBQESA-N -1 3 241.312 1.609 20 10 BDCDHM COC1(C)CN(C(=O)c2cc([O-])cs2)C1 ZINC000758431782 585355842 /nfs/dbraw/zinc/35/58/42/585355842.db2.gz JXBMNFVGWKHUDD-UHFFFAOYSA-N -1 3 227.285 1.315 20 10 BDCDHM C[C@@H](CCO)CNC(=O)c1cc([O-])cs1 ZINC000760178634 585386400 /nfs/dbraw/zinc/38/64/00/585386400.db2.gz UTYKRQVDQQGSKS-ZETCQYMHSA-N -1 3 229.301 1.202 20 10 BDCDHM COc1cccc([O-])c1CN1CCN(C)CC1 ZINC000771926013 585604537 /nfs/dbraw/zinc/60/45/37/585604537.db2.gz FRWPPGCDDCQFSI-UHFFFAOYSA-N -1 3 236.315 1.148 20 10 BDCDHM CCOc1ccc(CN2CCOCC2)c([O-])c1 ZINC000771927139 585604632 /nfs/dbraw/zinc/60/46/32/585604632.db2.gz GAYVEGNMODDTMD-UHFFFAOYSA-N -1 3 237.299 1.623 20 10 BDCDHM O=C(NCCc1cnccn1)c1cc([O-])cs1 ZINC000775617604 585681729 /nfs/dbraw/zinc/68/17/29/585681729.db2.gz JMAFCIVDEOKZLO-UHFFFAOYSA-N -1 3 249.295 1.216 20 10 BDCDHM CC[C@]1(O)CCN(C(=O)c2cc([O-])cs2)C1 ZINC000779506955 585755845 /nfs/dbraw/zinc/75/58/45/585755845.db2.gz ZPUZLJKIOATLRR-NSHDSACASA-N -1 3 241.312 1.441 20 10 BDCDHM CO[C@H](C)COC(=O)c1cc([O-])cs1 ZINC000782333831 585815222 /nfs/dbraw/zinc/81/52/22/585815222.db2.gz AYIYBTJEAHRWNC-ZCFIWIBFSA-N -1 3 216.258 1.645 20 10 BDCDHM CO[C@H](C)[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000788006734 585918748 /nfs/dbraw/zinc/91/87/48/585918748.db2.gz SNAYXMMVAOVXOZ-NKWVEPMBSA-N -1 3 229.301 1.607 20 10 BDCDHM CC1(F)CN(C(=O)c2cc([O-])cs2)C1 ZINC000792668761 586003832 /nfs/dbraw/zinc/00/38/32/586003832.db2.gz FBNLRFDFNGQDJT-UHFFFAOYSA-N -1 3 215.249 1.638 20 10 BDCDHM O=C(OCc1cn[nH]c1)c1cc([O-])cs1 ZINC000803346129 586346149 /nfs/dbraw/zinc/34/61/49/586346149.db2.gz MOFOBUHGRGUOON-UHFFFAOYSA-N -1 3 224.241 1.534 20 10 BDCDHM C[C@H]1CC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000807755598 586448677 /nfs/dbraw/zinc/44/86/77/586448677.db2.gz RGFOUKDNPOZIKO-XPUUQOCRSA-N -1 3 211.286 1.982 20 10 BDCDHM Cc1ccc(C(=O)NCC[C@@H](C)F)c([O-])c1O ZINC000818296088 586884806 /nfs/dbraw/zinc/88/48/06/586884806.db2.gz AKAMIRUTJWNMFT-MRVPVSSYSA-N -1 3 241.262 1.884 20 10 BDCDHM Cc1cccc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c1[O-] ZINC000821111942 587096707 /nfs/dbraw/zinc/09/67/07/587096707.db2.gz CANWAXXWLMCYTK-NSHDSACASA-N -1 3 235.283 1.607 20 10 BDCDHM Cc1cccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1[O-] ZINC000821111942 587096708 /nfs/dbraw/zinc/09/67/08/587096708.db2.gz CANWAXXWLMCYTK-NSHDSACASA-N -1 3 235.283 1.607 20 10 BDCDHM CC[C@@](C)(CO)NC(=O)c1cc([O-])cs1 ZINC000831263115 587594364 /nfs/dbraw/zinc/59/43/64/587594364.db2.gz LWMNUORXSZRZSE-JTQLQIEISA-N -1 3 229.301 1.345 20 10 BDCDHM C[C@@H](O)C(C)(C)NC(=O)c1cc([O-])cs1 ZINC000831524646 587616756 /nfs/dbraw/zinc/61/67/56/587616756.db2.gz KKZPRMHGWSHVOU-ZCFIWIBFSA-N -1 3 229.301 1.343 20 10 BDCDHM CC(C)(CC(=O)[O-])[NH2+]Cc1cc(F)ccc1[O-] ZINC000833456535 587715339 /nfs/dbraw/zinc/71/53/39/587715339.db2.gz ZNVXBCDYIDHTOJ-UHFFFAOYSA-N -1 3 241.262 1.874 20 10 BDCDHM Cc1cc([O-])c(CN(C)CCO)c(Cl)c1 ZINC000840908596 587929655 /nfs/dbraw/zinc/92/96/55/587929655.db2.gz UKOTXWSFRXIYOO-UHFFFAOYSA-N -1 3 229.707 1.778 20 10 BDCDHM NCC(F)(F)CNCc1cccc(F)c1[O-] ZINC000841059614 587934751 /nfs/dbraw/zinc/93/47/51/587934751.db2.gz IHQWHSGPXHIGKP-UHFFFAOYSA-N -1 3 234.221 1.215 20 10 BDCDHM CCn1ncc(CN[C@@H](C)c2ccccc2[O-])n1 ZINC000845989525 588252551 /nfs/dbraw/zinc/25/25/51/588252551.db2.gz JATQKVNTKVMQQR-JTQLQIEISA-N -1 3 246.314 1.854 20 10 BDCDHM C[C@H]1C[C@@H](NCc2ccccc2[O-])c2ncnn21 ZINC000850351400 588538151 /nfs/dbraw/zinc/53/81/51/588538151.db2.gz BBDIJANFLKHPJE-GXSJLCMTSA-N -1 3 244.298 1.779 20 10 BDCDHM Cc1nonc1CN[C@H]1CCc2cccc([O-])c21 ZINC000872135297 589878381 /nfs/dbraw/zinc/87/83/81/589878381.db2.gz DYSWCPKLFRMTQJ-JTQLQIEISA-N -1 3 245.282 1.861 20 10 BDCDHM Cc1cccc([O-])c1CNCc1ccon1 ZINC000877075774 590278586 /nfs/dbraw/zinc/27/85/86/590278586.db2.gz HECVSSUQIXTWGM-UHFFFAOYSA-N -1 3 218.256 1.978 20 10 BDCDHM Cc1ccc(CN2CCn3ncnc3C2)c([O-])c1 ZINC000877402775 590324212 /nfs/dbraw/zinc/32/42/12/590324212.db2.gz IJOMKFXDHIIIMG-UHFFFAOYSA-N -1 3 244.298 1.308 20 10 BDCDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000126545481 590335877 /nfs/dbraw/zinc/33/58/77/590335877.db2.gz FUMLWNLMPRGMBC-MRVPVSSYSA-N -1 3 235.283 1.874 20 10 BDCDHM Cc1ccc(CN2CC(=O)N(C)[C@@H](C)C2)c([O-])c1 ZINC000877501972 590342115 /nfs/dbraw/zinc/34/21/15/590342115.db2.gz XFIPJWYSCWBMCK-NSHDSACASA-N -1 3 248.326 1.363 20 10 BDCDHM COC1(C)CN(Cc2ccc(C)cc2[O-])C1 ZINC000877533741 590349668 /nfs/dbraw/zinc/34/96/68/590349668.db2.gz RCAKDSSUTCXBHU-UHFFFAOYSA-N -1 3 221.300 1.921 20 10 BDCDHM Cc1cccc([O-])c1CN1CC(=O)N[C@H](C)C1 ZINC000877567112 590362062 /nfs/dbraw/zinc/36/20/62/590362062.db2.gz GOMOKKHXHKRWPL-SNVBAGLBSA-N -1 3 234.299 1.021 20 10 BDCDHM Cn1ccnc(NCc2ccccc2[O-])c1=O ZINC000135240987 591999567 /nfs/dbraw/zinc/99/95/67/591999567.db2.gz GVACFSWGHJKKLU-UHFFFAOYSA-N -1 3 231.255 1.098 20 10 BDCDHM O=C(Nc1ccc(F)nc1)c1cccc(O)c1[O-] ZINC000187195001 636598279 /nfs/dbraw/zinc/59/82/79/636598279.db2.gz CVUAOMYYBDUJTF-UHFFFAOYSA-N -1 3 248.213 1.884 20 10 BDCDHM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cccc(O)c1[O-] ZINC000787717545 636928987 /nfs/dbraw/zinc/92/89/87/636928987.db2.gz AWTDALHQNQLOAY-VROVMSAKSA-N -1 3 233.267 1.626 20 10 BDCDHM CO[C@H](C)CC(=O)NCc1c([O-])cccc1F ZINC000928711568 711786136 /nfs/dbraw/zinc/78/61/36/711786136.db2.gz JAFIXKUBDUKBCS-MRVPVSSYSA-N -1 3 241.262 1.573 20 10 BDCDHM O=C(NC[C@H]1C=CCC1)c1cccc(O)c1[O-] ZINC000711703387 712318571 /nfs/dbraw/zinc/31/85/71/712318571.db2.gz KWOLIAXQOFVEJW-VIFPVBQESA-N -1 3 233.267 1.794 20 10 BDCDHM COC[C@@H]1CCN1Cc1c([O-])ccc(F)c1F ZINC001233336292 978569417 /nfs/dbraw/zinc/56/94/17/978569417.db2.gz GRVXQEGZLPTCHY-QMMMGPOBSA-N -1 3 243.253 1.891 20 10 BDCDHM O=C(NCCCF)NCc1c([O-])cccc1F ZINC001340019254 978956405 /nfs/dbraw/zinc/95/64/05/978956405.db2.gz JQUBQTHSQIPDRP-UHFFFAOYSA-N -1 3 244.241 1.690 20 10 BDCDHM C[C@H]([NH2+]CCC(=O)[O-])c1cc(F)ccc1[O-] ZINC000087111353 949068430 /nfs/dbraw/zinc/06/84/30/949068430.db2.gz WYGILOZFVXPHBN-ZETCQYMHSA-N -1 3 227.235 1.657 20 10 BDCDHM Cn1cncc1NC(=O)c1cccc(O)c1[O-] ZINC001148211974 973814075 /nfs/dbraw/zinc/81/40/75/973814075.db2.gz FVBOZNXCTHGTCK-UHFFFAOYSA-N -1 3 233.227 1.084 20 10 BDCDHM C[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)C1CC1 ZINC001148585904 973867916 /nfs/dbraw/zinc/86/79/16/973867916.db2.gz DEKVDLNRBCHDGT-LURJTMIESA-N -1 3 237.255 1.332 20 10 BDCDHM O=C(N[C@H]1C[C@H]1C1CC1)c1cc(O)c([O-])c(O)c1 ZINC001148590550 973873980 /nfs/dbraw/zinc/87/39/80/973873980.db2.gz MHIXJFGAUXEOKY-IUCAKERBSA-N -1 3 249.266 1.332 20 10 BDCDHM CCC[N@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231560704 977633316 /nfs/dbraw/zinc/63/33/16/977633316.db2.gz OTQLGXPWUVZTAY-UHFFFAOYSA-N -1 3 223.272 1.932 20 10 BDCDHM CCC[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231560704 977633325 /nfs/dbraw/zinc/63/33/25/977633325.db2.gz OTQLGXPWUVZTAY-UHFFFAOYSA-N -1 3 223.272 1.932 20 10 BDCDHM C[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231560350 977633609 /nfs/dbraw/zinc/63/36/09/977633609.db2.gz HGZUTVBNVUSCDL-SECBINFHSA-N -1 3 235.283 1.932 20 10 BDCDHM C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231560350 977633621 /nfs/dbraw/zinc/63/36/21/977633621.db2.gz HGZUTVBNVUSCDL-SECBINFHSA-N -1 3 235.283 1.932 20 10 BDCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC001231560796 977636008 /nfs/dbraw/zinc/63/60/08/977636008.db2.gz NFMQTMPEOZXRSL-AOOOYVTPSA-N -1 3 233.267 1.542 20 10 BDCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC001231560796 977636014 /nfs/dbraw/zinc/63/60/14/977636014.db2.gz NFMQTMPEOZXRSL-AOOOYVTPSA-N -1 3 233.267 1.542 20 10 BDCDHM CN1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233331710 978560577 /nfs/dbraw/zinc/56/05/77/978560577.db2.gz HWFDRYDCJBGLEY-UHFFFAOYSA-N -1 3 242.269 1.418 20 10 BDCDHM C[C@H]1CN(Cc2c([O-])ccc(F)c2F)C[C@@H]1O ZINC001233332229 978568309 /nfs/dbraw/zinc/56/83/09/978568309.db2.gz DDGIRQWYGGIKFQ-CPCISQLKSA-N -1 3 243.253 1.483 20 10 BDCDHM Cc1ccc(C[NH2+][C@@H]2CC=C(C(=O)[O-])C2)c([O-])c1 ZINC001600418894 978692263 /nfs/dbraw/zinc/69/22/63/978692263.db2.gz PXLORKPSRRJKBP-GFCCVEGCSA-N -1 3 247.294 1.964 20 10 BDCDHM CCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590637871 982962869 /nfs/dbraw/zinc/96/28/69/982962869.db2.gz HKCFAFYUKJQAOV-MRVPVSSYSA-N -1 3 247.302 1.633 20 10 BDCDHM [O-]c1c(F)cccc1CN1CC[C@H](F)[C@@H](O)C1 ZINC001138122396 984801554 /nfs/dbraw/zinc/80/15/54/984801554.db2.gz BNEIMWQWYSUEOB-ONGXEEELSA-N -1 3 243.253 1.436 20 10 BDCDHM CN(Cc1cncnc1)Cc1cccc(F)c1[O-] ZINC001138130557 990887427 /nfs/dbraw/zinc/88/74/27/990887427.db2.gz CQQOUWCBEUZGNF-UHFFFAOYSA-N -1 3 247.273 1.953 20 10 BDCDHM CC(=O)OC1CN(Cc2cc(F)ccc2[O-])C1 ZINC001140055022 991512172 /nfs/dbraw/zinc/51/21/72/991512172.db2.gz DXJBYKZTOCINCM-UHFFFAOYSA-N -1 3 239.246 1.279 20 10 BDCDHM CN(Cc1ccn(C)n1)Cc1cc(F)ccc1[O-] ZINC001561045410 991702231 /nfs/dbraw/zinc/70/22/31/991702231.db2.gz YQZKYWIAOCKZSS-UHFFFAOYSA-N -1 3 249.289 1.897 20 10 BDCDHM Cc1ccc(C(=O)N(C)c2cn[nH]c2)c([O-])c1O ZINC001319949845 992042113 /nfs/dbraw/zinc/04/21/13/992042113.db2.gz NUIBRIGBNTYVNZ-UHFFFAOYSA-N -1 3 247.254 1.406 20 10 BDCDHM C[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1C[C@@H]1C(=O)[O-] ZINC001593303161 994731362 /nfs/dbraw/zinc/73/13/62/994731362.db2.gz DGQRJLQGOSIMFY-GDPRMGEGSA-N -1 3 235.283 1.591 20 10 BDCDHM [O-]c1ccccc1CN(C1CC1)C1COC1 ZINC000296201958 183301592 /nfs/dbraw/zinc/30/15/92/183301592.db2.gz ZFBQKGDUBUOTQP-UHFFFAOYSA-N -1 3 219.284 1.755 20 10 BDCDHM Cc1nc(CN(C)Cc2ccccc2[O-])no1 ZINC000111235316 383843671 /nfs/dbraw/zinc/84/36/71/383843671.db2.gz ZSJJPBNONIBVDI-UHFFFAOYSA-N -1 3 233.271 1.716 20 10 BDCDHM O=C1OCC[C@]12CCCN2Cc1ccccc1[O-] ZINC000190030803 385205277 /nfs/dbraw/zinc/20/52/77/385205277.db2.gz WAKRXYMSUALBPC-CQSZACIVSA-N -1 3 247.294 1.674 20 10 BDCDHM Cc1ccc(C(=O)NC(C)C)c([O-])c1O ZINC000177658082 385268984 /nfs/dbraw/zinc/26/89/84/385268984.db2.gz CCBQQTHZJYSUJF-UHFFFAOYSA-N -1 3 209.245 1.544 20 10 BDCDHM CCN(C)C(=O)CNCc1cccc(F)c1[O-] ZINC000229606781 385638703 /nfs/dbraw/zinc/63/87/03/385638703.db2.gz CAQIDUVGHLMFDI-UHFFFAOYSA-N -1 3 240.278 1.099 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1CF ZINC000294247154 385828092 /nfs/dbraw/zinc/82/80/92/385828092.db2.gz XVMDNTRXHYHTLJ-QMMMGPOBSA-N -1 3 239.246 1.672 20 10 BDCDHM CC[C@@H]1C[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000281741328 171140331 /nfs/dbraw/zinc/14/03/31/171140331.db2.gz GYSROWFOGYZVIH-VXNVDRBHSA-N -1 3 221.256 1.626 20 10 BDCDHM CO[C@H](C)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000276265947 174847513 /nfs/dbraw/zinc/84/75/13/174847513.db2.gz XICUJIIDJPTDNI-JGVFFNPUSA-N -1 3 239.271 1.251 20 10 BDCDHM O=C(NCCC1CSC1)c1cc([O-])cs1 ZINC000854975151 588819364 /nfs/dbraw/zinc/81/93/64/588819364.db2.gz LLYODZUTCAQRQA-UHFFFAOYSA-N -1 3 243.353 1.937 20 10 BDCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@H](O)C1 ZINC000893871214 583237059 /nfs/dbraw/zinc/23/70/59/583237059.db2.gz IEWKJBODAPFRBX-JTQLQIEISA-N -1 3 243.253 1.627 20 10 BDCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@@H](O)C1 ZINC000893871215 583238078 /nfs/dbraw/zinc/23/80/78/583238078.db2.gz IEWKJBODAPFRBX-SNVBAGLBSA-N -1 3 243.253 1.627 20 10 BDCDHM Cn1ncc2c1CN(C(=O)c1cc([O-])cs1)C2 ZINC000857878351 588919024 /nfs/dbraw/zinc/91/90/24/588919024.db2.gz YJCZVCVQSGWVFP-UHFFFAOYSA-N -1 3 249.295 1.343 20 10 BDCDHM Cc1cc(CNCc2c([O-])cccc2F)n(C)n1 ZINC000896638925 583820076 /nfs/dbraw/zinc/82/00/76/583820076.db2.gz RWQAELONKXDEMQ-UHFFFAOYSA-N -1 3 249.289 1.863 20 10 BDCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)C[C@H](C)O1 ZINC000731861923 584929884 /nfs/dbraw/zinc/92/98/84/584929884.db2.gz SOYWLXGCJDCLDI-OCAPTIKFSA-N -1 3 241.312 1.703 20 10 BDCDHM O=C(Nc1cc[nH]n1)c1cc([O-])cs1 ZINC000731870579 584930153 /nfs/dbraw/zinc/93/01/53/584930153.db2.gz QZZURFIDUPDZGM-UHFFFAOYSA-N -1 3 209.230 1.429 20 10 BDCDHM O=C(NCc1cccnc1)c1cc([O-])cs1 ZINC000731867196 584930562 /nfs/dbraw/zinc/93/05/62/584930562.db2.gz ZEUPSUBARBQCQG-UHFFFAOYSA-N -1 3 234.280 1.779 20 10 BDCDHM CC[C@@H]1CN(C(=O)c2cc([O-])cs2)CCO1 ZINC000732266444 584934971 /nfs/dbraw/zinc/93/49/71/584934971.db2.gz BNYUOBVRXSZFJX-SECBINFHSA-N -1 3 241.312 1.705 20 10 BDCDHM C[C@H]1C[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000732269646 584935451 /nfs/dbraw/zinc/93/54/51/584935451.db2.gz GVVHOSGSIQXJGC-BQBZGAKWSA-N -1 3 211.286 1.840 20 10 BDCDHM O=C(NC[C@@H]1CCCCO1)c1cc([O-])cs1 ZINC000732277901 584935468 /nfs/dbraw/zinc/93/54/68/584935468.db2.gz VKOLCYCYVUSIOM-VIFPVBQESA-N -1 3 241.312 1.753 20 10 BDCDHM CN1CCC[C@@H]1CNC(=O)c1cc([O-])cs1 ZINC000732277086 584935506 /nfs/dbraw/zinc/93/55/06/584935506.db2.gz DXWNMJLVZKENAH-MRVPVSSYSA-N -1 3 240.328 1.278 20 10 BDCDHM O=C(NCc1cscn1)c1cc([O-])cs1 ZINC000732279049 584935700 /nfs/dbraw/zinc/93/57/00/584935700.db2.gz FOTIXBGPGSILOI-UHFFFAOYSA-N -1 3 240.309 1.840 20 10 BDCDHM CN(CC(F)F)C(=O)c1cc([O-])cs1 ZINC000732287351 584935809 /nfs/dbraw/zinc/93/58/09/584935809.db2.gz VCEWAOLXUHUOSI-UHFFFAOYSA-N -1 3 221.228 1.791 20 10 BDCDHM O=C(N[C@@H]1CCSC1)c1cc([O-])cs1 ZINC000743734039 585139089 /nfs/dbraw/zinc/13/90/89/585139089.db2.gz ZSXMOEVVDOZLBA-ZCFIWIBFSA-N -1 3 229.326 1.689 20 10 BDCDHM O=C(NCCOC1CCC1)c1cc([O-])cs1 ZINC000743746864 585139172 /nfs/dbraw/zinc/13/91/72/585139172.db2.gz MMOLMCDKKIAXHA-UHFFFAOYSA-N -1 3 241.312 1.753 20 10 BDCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)CCN1C ZINC000748346137 585191302 /nfs/dbraw/zinc/19/13/02/585191302.db2.gz AHWFWROUSAOUBB-QMMMGPOBSA-N -1 3 240.328 1.230 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CC(n2ccnc2)C1 ZINC000750237188 585212564 /nfs/dbraw/zinc/21/25/64/585212564.db2.gz WZGFYTFXFVNZRI-UHFFFAOYSA-N -1 3 249.295 1.347 20 10 BDCDHM CC[C@@H](NC(=O)c1cc([O-])cs1)C(=O)OC ZINC000752824455 585250605 /nfs/dbraw/zinc/25/06/05/585250605.db2.gz QGJSYIJPWUBALR-SSDOTTSWSA-N -1 3 243.284 1.135 20 10 BDCDHM C[C@@H](O)C[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000753469072 585259366 /nfs/dbraw/zinc/25/93/66/585259366.db2.gz YQBULPKECJMYHW-RNFRBKRXSA-N -1 3 229.301 1.343 20 10 BDCDHM O=C(NCC1(CO)CCC1)c1cc([O-])cs1 ZINC000753519770 585260493 /nfs/dbraw/zinc/26/04/93/585260493.db2.gz AVFCVFYYUKNVSL-UHFFFAOYSA-N -1 3 241.312 1.346 20 10 BDCDHM C[C@H]1OCCN(C(=O)c2cc([O-])cs2)[C@@H]1C ZINC000768258301 585534622 /nfs/dbraw/zinc/53/46/22/585534622.db2.gz OAUGQKPDNDRFKY-HTQZYQBOSA-N -1 3 241.312 1.703 20 10 BDCDHM Cc1cc(CNCc2cc(F)ccc2[O-])ncn1 ZINC000779101128 585745317 /nfs/dbraw/zinc/74/53/17/585745317.db2.gz LIJPUOPHFLWBDJ-UHFFFAOYSA-N -1 3 247.273 1.920 20 10 BDCDHM CN(CCCCCO)C(=O)c1cc([O-])cs1 ZINC000791018909 585972230 /nfs/dbraw/zinc/97/22/30/585972230.db2.gz ZIMZTMAUYAJFJX-UHFFFAOYSA-N -1 3 243.328 1.688 20 10 BDCDHM [O-]c1ccccc1CN1CCO[C@@H](C(F)F)C1 ZINC000802653971 586307540 /nfs/dbraw/zinc/30/75/40/586307540.db2.gz BJRXCYXZVDJSTL-LLVKDONJSA-N -1 3 243.253 1.858 20 10 BDCDHM CCN1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000809936916 586524254 /nfs/dbraw/zinc/52/42/54/586524254.db2.gz FAQKMDSFFVRIBF-UHFFFAOYSA-N -1 3 240.328 1.231 20 10 BDCDHM CC1(C)[C@H](O)CCN1C(=O)c1cc([O-])cs1 ZINC000812699494 586583031 /nfs/dbraw/zinc/58/30/31/586583031.db2.gz PBMYYNLZJIOHKS-SECBINFHSA-N -1 3 241.312 1.439 20 10 BDCDHM Cc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c1[O-] ZINC000821112364 587096711 /nfs/dbraw/zinc/09/67/11/587096711.db2.gz VQECCROIRGMVOU-LLVKDONJSA-N -1 3 235.283 1.750 20 10 BDCDHM Cc1cccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])c1[O-] ZINC000821112364 587096712 /nfs/dbraw/zinc/09/67/12/587096712.db2.gz VQECCROIRGMVOU-LLVKDONJSA-N -1 3 235.283 1.750 20 10 BDCDHM [O-]c1ccccc1CN1CC[C@H](O)C(F)(F)C1 ZINC000826957915 587366933 /nfs/dbraw/zinc/36/69/33/587366933.db2.gz KTZYMZRDSXKPGO-NSHDSACASA-N -1 3 243.253 1.594 20 10 BDCDHM C[C@H]1CCN(C(=O)c2cc([O-])cs2)[C@@H]1CO ZINC000832761437 587685673 /nfs/dbraw/zinc/68/56/73/587685673.db2.gz ZIDIODOZCHJSTO-IONNQARKSA-N -1 3 241.312 1.297 20 10 BDCDHM CN(CCCCO)C(=O)c1cc([O-])cs1 ZINC000832835967 587689520 /nfs/dbraw/zinc/68/95/20/587689520.db2.gz BBSICTMYFDXKHZ-UHFFFAOYSA-N -1 3 229.301 1.298 20 10 BDCDHM C[C@@H]1C(=O)N(C)CN1Cc1ccccc1[O-] ZINC000843435696 588109733 /nfs/dbraw/zinc/10/97/33/588109733.db2.gz RGKFUAOAWZVTDT-SECBINFHSA-N -1 3 220.272 1.012 20 10 BDCDHM Cc1ccc(CN2CCCNC(=O)C2)c([O-])c1 ZINC000876639595 590224905 /nfs/dbraw/zinc/22/49/05/590224905.db2.gz HUAHLQGPNFHGDH-UHFFFAOYSA-N -1 3 234.299 1.023 20 10 BDCDHM Cc1cccc([O-])c1CN(C)Cc1nncn1C ZINC000877529368 590348942 /nfs/dbraw/zinc/34/89/42/590348942.db2.gz APICHKXGXGLDOQ-UHFFFAOYSA-N -1 3 246.314 1.461 20 10 BDCDHM Cc1ccc(CN2CCn3cncc3C2)c([O-])c1 ZINC000877540032 590351047 /nfs/dbraw/zinc/35/10/47/590351047.db2.gz XOTCSTJQYIRITA-UHFFFAOYSA-N -1 3 243.310 1.913 20 10 BDCDHM Cc1cc(Cl)cc(CN2CC(C)(O)C2)c1[O-] ZINC000877581373 590365250 /nfs/dbraw/zinc/36/52/50/590365250.db2.gz ZQQSYTSOGTYDHY-UHFFFAOYSA-N -1 3 241.718 1.921 20 10 BDCDHM CCOc1ccc(CNCc2ncc[nH]2)c([O-])c1 ZINC000877672377 590389432 /nfs/dbraw/zinc/38/94/32/590389432.db2.gz DAGKHJGKKIEZFN-UHFFFAOYSA-N -1 3 247.298 1.804 20 10 BDCDHM Cn1nncc1CN1Cc2cccc([O-])c2C1 ZINC000877702963 590395547 /nfs/dbraw/zinc/39/55/47/590395547.db2.gz MKUUVPUHTOAWPV-UHFFFAOYSA-N -1 3 230.271 1.037 20 10 BDCDHM COC[C@@H](CO)N[C@@H](C)c1c([O-])cccc1F ZINC000886604921 592273649 /nfs/dbraw/zinc/27/36/49/592273649.db2.gz GELUGBFLSDQFBL-DTWKUNHWSA-N -1 3 243.278 1.189 20 10 BDCDHM C[C@H](NC/C=C\CO)c1c([O-])cccc1F ZINC000886636072 592284340 /nfs/dbraw/zinc/28/43/40/592284340.db2.gz FSWKWNILDIJVJU-XADBCAIWSA-N -1 3 225.263 1.730 20 10 BDCDHM [O-]c1c(F)cc(F)cc1CN1CCC(O)CC1 ZINC000893902152 635637417 /nfs/dbraw/zinc/63/74/17/635637417.db2.gz UFVFQQGHMCWRDS-UHFFFAOYSA-N -1 3 243.253 1.627 20 10 BDCDHM C[C@H]1C[N@H+](Cc2ccccc2[O-])CC[C@H]1C(=O)[O-] ZINC000306071582 642718486 /nfs/dbraw/zinc/71/84/86/642718486.db2.gz WQWCDUSQPDYHJX-CMPLNLGQSA-N -1 3 249.310 1.935 20 10 BDCDHM C[C@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@H]1C(=O)[O-] ZINC000306071582 642718496 /nfs/dbraw/zinc/71/84/96/642718496.db2.gz WQWCDUSQPDYHJX-CMPLNLGQSA-N -1 3 249.310 1.935 20 10 BDCDHM C[C@H](C[N@H+](C)Cc1ccccc1[O-])C(=O)[O-] ZINC000083415492 644402722 /nfs/dbraw/zinc/40/27/22/644402722.db2.gz OFTPSYAJYAQYNP-SECBINFHSA-N -1 3 223.272 1.545 20 10 BDCDHM C[C@H](C[N@@H+](C)Cc1ccccc1[O-])C(=O)[O-] ZINC000083415492 644402727 /nfs/dbraw/zinc/40/27/27/644402727.db2.gz OFTPSYAJYAQYNP-SECBINFHSA-N -1 3 223.272 1.545 20 10 BDCDHM C/C=C/CNC(=O)NCc1c([O-])cccc1F ZINC000923453291 644441920 /nfs/dbraw/zinc/44/19/20/644441920.db2.gz ADCNCLFNMSGNMN-NSCUHMNNSA-N -1 3 238.262 1.907 20 10 BDCDHM O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000086791301 644471309 /nfs/dbraw/zinc/47/13/09/644471309.db2.gz DYHQHZZSBLTANY-NSHDSACASA-N -1 3 235.283 1.831 20 10 BDCDHM O=C([O-])C[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000086791301 644471313 /nfs/dbraw/zinc/47/13/13/644471313.db2.gz DYHQHZZSBLTANY-NSHDSACASA-N -1 3 235.283 1.831 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC(F)(F)C1 ZINC000790920724 644789787 /nfs/dbraw/zinc/78/97/87/644789787.db2.gz CORLKXFCRKVMFO-UHFFFAOYSA-N -1 3 229.182 1.189 20 10 BDCDHM O=C(N[C@@H]1CC12CC2)c1cccc(O)c1[O-] ZINC000715668875 712530036 /nfs/dbraw/zinc/53/00/36/712530036.db2.gz RSFKEDOWANHIQE-SECBINFHSA-N -1 3 219.240 1.380 20 10 BDCDHM C[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccccc1[O-] ZINC000086816460 712082043 /nfs/dbraw/zinc/08/20/43/712082043.db2.gz AYFRLGKIJSATHC-ZDUSSCGKSA-N -1 3 235.283 1.831 20 10 BDCDHM C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccccc1[O-] ZINC000086816460 712082047 /nfs/dbraw/zinc/08/20/47/712082047.db2.gz AYFRLGKIJSATHC-ZDUSSCGKSA-N -1 3 235.283 1.831 20 10 BDCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@H](O)C1 ZINC001142502270 961460072 /nfs/dbraw/zinc/46/00/72/961460072.db2.gz LYBPPICEUVPXMK-VIFPVBQESA-N -1 3 243.253 1.627 20 10 BDCDHM CN(Cc1cc(Cl)ccc1[O-])C1COC1 ZINC001203657142 966723252 /nfs/dbraw/zinc/72/32/52/966723252.db2.gz GBXQARDZIDVQOZ-UHFFFAOYSA-N -1 3 227.691 1.876 20 10 BDCDHM O=C1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203658396 966725062 /nfs/dbraw/zinc/72/50/62/966725062.db2.gz UBRNXCDYPCWCJA-UHFFFAOYSA-N -1 3 225.675 1.820 20 10 BDCDHM CN(Cc1cnn(C)c1)Cc1c([O-])cccc1F ZINC001137831576 967820988 /nfs/dbraw/zinc/82/09/88/967820988.db2.gz GALNOEUZTWLVBC-UHFFFAOYSA-N -1 3 249.289 1.897 20 10 BDCDHM CC[C@H](C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589625 973873438 /nfs/dbraw/zinc/87/34/38/973873438.db2.gz FEZZLABXBDCQLW-LURJTMIESA-N -1 3 225.244 1.332 20 10 BDCDHM C[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445942 977593027 /nfs/dbraw/zinc/59/30/27/977593027.db2.gz CVDKMOSSJDJZFY-SECBINFHSA-N -1 3 235.283 1.932 20 10 BDCDHM C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445942 977593037 /nfs/dbraw/zinc/59/30/37/977593037.db2.gz CVDKMOSSJDJZFY-SECBINFHSA-N -1 3 235.283 1.932 20 10 BDCDHM O=C(Cc1c[nH]cn1)NCc1c([O-])cccc1F ZINC001596916711 978274051 /nfs/dbraw/zinc/27/40/51/978274051.db2.gz LKFVLWIEXXOEFR-UHFFFAOYSA-N -1 3 249.245 1.113 20 10 BDCDHM O=C1CN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233454142 978606779 /nfs/dbraw/zinc/60/67/79/978606779.db2.gz IHANWTHTJMGINH-UHFFFAOYSA-N -1 3 245.200 1.796 20 10 BDCDHM CC[C@@H](F)C(=O)NCc1c([O-])cccc1F ZINC001339165621 978809205 /nfs/dbraw/zinc/80/92/05/978809205.db2.gz QNYMAWLPACPGHF-MRVPVSSYSA-N -1 3 229.226 1.896 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)c1ccon1 ZINC001558455788 990946326 /nfs/dbraw/zinc/94/63/26/990946326.db2.gz YPEYLAKSVRFONG-UHFFFAOYSA-N -1 3 236.202 1.449 20 10 BDCDHM O=C1CCCN(Cc2cc(F)ccc2[O-])C1 ZINC001140055268 991507694 /nfs/dbraw/zinc/50/76/94/991507694.db2.gz PSZATGBGHTUWLE-UHFFFAOYSA-N -1 3 223.247 1.696 20 10 BDCDHM CC(C)O[N-]C(=O)Cc1ccc(O)c(O)c1 ZINC001569694714 992417180 /nfs/dbraw/zinc/41/71/80/992417180.db2.gz XSGICABYPUCEKM-UHFFFAOYSA-N -1 3 225.244 1.097 20 10 BDCDHM Cn1ccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001303877822 995176383 /nfs/dbraw/zinc/17/63/83/995176383.db2.gz IQLGWYJUONTKKP-UHFFFAOYSA-N -1 3 248.257 1.800 20 10 BDCDHM Cc1ccc(C(=O)N2CCCC2)c([O-])c1O ZINC000177658701 178386311 /nfs/dbraw/zinc/38/63/11/178386311.db2.gz LLHJWPWYJJHWRJ-UHFFFAOYSA-N -1 3 221.256 1.642 20 10 BDCDHM CC1(C)C[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000163273061 346553032 /nfs/dbraw/zinc/55/30/32/346553032.db2.gz BNDBTGJYVSNQDC-VIFPVBQESA-N -1 3 221.256 1.626 20 10 BDCDHM CCN1CCN(Cc2ccccc2[O-])CC1=O ZINC000273534550 351535104 /nfs/dbraw/zinc/53/51/04/351535104.db2.gz VXODEMAIJNSCKI-UHFFFAOYSA-N -1 3 234.299 1.056 20 10 BDCDHM O=C(NOCC1CC1)c1cccc(O)c1[O-] ZINC000293684439 182283162 /nfs/dbraw/zinc/28/31/62/182283162.db2.gz BLJGEXGPTMHQLR-UHFFFAOYSA-N -1 3 223.228 1.169 20 10 BDCDHM CCCN(CC(=O)OC)Cc1ccccc1[O-] ZINC000112691530 169100221 /nfs/dbraw/zinc/10/02/21/169100221.db2.gz VSNDLCGQEJSXOC-UHFFFAOYSA-N -1 3 237.299 1.777 20 10 BDCDHM COC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000119527652 384281723 /nfs/dbraw/zinc/28/17/23/384281723.db2.gz ZCLDXXOWBOBWQK-SECBINFHSA-N -1 3 223.272 1.386 20 10 BDCDHM C[C@H](C(=O)N(C)C)N(C)Cc1ccccc1[O-] ZINC000121144995 384400474 /nfs/dbraw/zinc/40/04/74/384400474.db2.gz IAXFCPAQNYBALF-SNVBAGLBSA-N -1 3 236.315 1.301 20 10 BDCDHM CC[C@@H](COC)NC(=O)c1cccc(O)c1[O-] ZINC000126436732 384797758 /nfs/dbraw/zinc/79/77/58/384797758.db2.gz QENOEEKGMGRMRK-QMMMGPOBSA-N -1 3 239.271 1.253 20 10 BDCDHM C[C@]1(NC(=O)c2cccc(O)c2[O-])CCOC1 ZINC000126548722 384808117 /nfs/dbraw/zinc/80/81/17/384808117.db2.gz AHTFAHKKMRLGKA-LBPRGKRZSA-N -1 3 237.255 1.007 20 10 BDCDHM CN(CCO)Cc1c([O-])cccc1Cl ZINC000127921995 384921994 /nfs/dbraw/zinc/92/19/94/384921994.db2.gz BMMDVQVAUXEPNV-UHFFFAOYSA-N -1 3 215.680 1.470 20 10 BDCDHM C[C@@H](N[C@H](C)c1ccccc1[O-])c1ncnn1C ZINC000276696610 386364897 /nfs/dbraw/zinc/36/48/97/386364897.db2.gz VKGVPXKGQMDEAH-NXEZZACHSA-N -1 3 246.314 1.933 20 10 BDCDHM Cc1ccc(C(=O)NC[C@H]2C[C@H]2C)c([O-])c1O ZINC000267626522 386562203 /nfs/dbraw/zinc/56/22/03/386562203.db2.gz VYHWYFUDURGBAU-RKDXNWHRSA-N -1 3 235.283 1.792 20 10 BDCDHM CO[C@@H](C)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000292697850 386711757 /nfs/dbraw/zinc/71/17/57/386711757.db2.gz XICUJIIDJPTDNI-SFYZADRCSA-N -1 3 239.271 1.251 20 10 BDCDHM Cc1nnc2n1CCN(Cc1ccccc1[O-])C2 ZINC000378497960 387787111 /nfs/dbraw/zinc/78/71/11/387787111.db2.gz RCXOSPDWFNRRHO-UHFFFAOYSA-N -1 3 244.298 1.308 20 10 BDCDHM C[C@@H](N[C@H](C)c1ccccc1[O-])c1ncn(C)n1 ZINC000275622491 388344828 /nfs/dbraw/zinc/34/48/28/388344828.db2.gz AGEAIVBPEAGZBE-NXEZZACHSA-N -1 3 246.314 1.933 20 10 BDCDHM C[C@@H](N[C@@H](C)c1ncn(C)n1)c1ccccc1[O-] ZINC000275622494 388345325 /nfs/dbraw/zinc/34/53/25/388345325.db2.gz AGEAIVBPEAGZBE-ZJUUUORDSA-N -1 3 246.314 1.933 20 10 BDCDHM C[C@H](O)[C@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000855869357 588852180 /nfs/dbraw/zinc/85/21/80/588852180.db2.gz MQRACYDTYGWKKN-IONNQARKSA-N -1 3 241.312 1.439 20 10 BDCDHM COc1ccc(CNCc2ocnc2C)c([O-])c1 ZINC000894639956 583498430 /nfs/dbraw/zinc/49/84/30/583498430.db2.gz WTIPZXMJWTYVHY-UHFFFAOYSA-N -1 3 248.282 1.987 20 10 BDCDHM O=C(N[C@H]1Cc2cncn2C1)c1cc([O-])cs1 ZINC000857886179 588921033 /nfs/dbraw/zinc/92/10/33/588921033.db2.gz UYRPFAHIPDFBCO-ZETCQYMHSA-N -1 3 249.295 1.005 20 10 BDCDHM Cc1cnn(C)c1CNCc1c([O-])cccc1F ZINC000896636631 583819523 /nfs/dbraw/zinc/81/95/23/583819523.db2.gz DIBCPYCMOVQTGX-UHFFFAOYSA-N -1 3 249.289 1.863 20 10 BDCDHM C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@@H]1O ZINC000897678346 584036146 /nfs/dbraw/zinc/03/61/46/584036146.db2.gz AIYUXJWHXZCUPF-XCBNKYQSSA-N -1 3 243.253 1.483 20 10 BDCDHM C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@H]1O ZINC000897678344 584036496 /nfs/dbraw/zinc/03/64/96/584036496.db2.gz AIYUXJWHXZCUPF-GMSGAONNSA-N -1 3 243.253 1.483 20 10 BDCDHM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@H]1O ZINC000897681472 584039490 /nfs/dbraw/zinc/03/94/90/584039490.db2.gz VRPWTDDILCOTIQ-LDYMZIIASA-N -1 3 241.718 1.858 20 10 BDCDHM Cc1cc([O-])c(CN[C@@H]2CNOC2)c(Cl)c1 ZINC000904424462 584880877 /nfs/dbraw/zinc/88/08/77/584880877.db2.gz SYULZYMQWNQUES-MRVPVSSYSA-N -1 3 242.706 1.347 20 10 BDCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1CNOC1 ZINC000904424639 584880942 /nfs/dbraw/zinc/88/09/42/584880942.db2.gz WYHFUGZPRMWMRQ-LURJTMIESA-N -1 3 246.669 1.178 20 10 BDCDHM CN(C[C@H]1CCCO1)C(=O)c1cc([O-])cs1 ZINC000731873398 584930284 /nfs/dbraw/zinc/93/02/84/584930284.db2.gz NZDWAPNWWJFUNE-SECBINFHSA-N -1 3 241.312 1.705 20 10 BDCDHM CN1CCC[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000732277087 584935548 /nfs/dbraw/zinc/93/55/48/584935548.db2.gz DXWNMJLVZKENAH-QMMMGPOBSA-N -1 3 240.328 1.278 20 10 BDCDHM CO[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732285609 584935895 /nfs/dbraw/zinc/93/58/95/584935895.db2.gz KBSAMOWTBCVMIW-SECBINFHSA-N -1 3 241.312 1.705 20 10 BDCDHM CN(Cc1cnccn1)C(=O)c1cc([O-])cs1 ZINC000735520408 584979004 /nfs/dbraw/zinc/97/90/04/584979004.db2.gz AEZPQMVWYKLJCL-UHFFFAOYSA-N -1 3 249.295 1.516 20 10 BDCDHM COc1cccc([O-])c1CN1CC(C)(CO)C1 ZINC000839145987 585092311 /nfs/dbraw/zinc/09/23/11/585092311.db2.gz ZJOXYLAMNGWJPK-UHFFFAOYSA-N -1 3 237.299 1.215 20 10 BDCDHM CN(C[C@H]1CCOC1)C(=O)c1cc([O-])cs1 ZINC000749545740 585203853 /nfs/dbraw/zinc/20/38/53/585203853.db2.gz WWLQBKZRVJEJJE-MRVPVSSYSA-N -1 3 241.312 1.562 20 10 BDCDHM O=C(NCC[C@H]1CCOC1)c1cc([O-])cs1 ZINC000753520989 585260020 /nfs/dbraw/zinc/26/00/20/585260020.db2.gz HEHRBAIRZMRVQD-QMMMGPOBSA-N -1 3 241.312 1.610 20 10 BDCDHM O=C(NCC[C@@H]1CCOC1)c1cc([O-])cs1 ZINC000753520987 585260112 /nfs/dbraw/zinc/26/01/12/585260112.db2.gz HEHRBAIRZMRVQD-MRVPVSSYSA-N -1 3 241.312 1.610 20 10 BDCDHM C[C@H](CO)COC(=O)c1cc([O-])cs1 ZINC000766713022 585506378 /nfs/dbraw/zinc/50/63/78/585506378.db2.gz LFGUMOJQOZHQCW-ZCFIWIBFSA-N -1 3 216.258 1.239 20 10 BDCDHM COc1cccc([O-])c1CN1CCO[C@@H](C)C1 ZINC000768231535 585534535 /nfs/dbraw/zinc/53/45/35/585534535.db2.gz VTAIWLXNIMUJAH-JTQLQIEISA-N -1 3 237.299 1.622 20 10 BDCDHM O=C(NCCCCCCO)c1cc([O-])cs1 ZINC000776248758 585694031 /nfs/dbraw/zinc/69/40/31/585694031.db2.gz NYFFKYZHBGNNNV-UHFFFAOYSA-N -1 3 243.328 1.736 20 10 BDCDHM O=C(NC[C@H]1CCC=CO1)c1cc([O-])cs1 ZINC000782040723 585807569 /nfs/dbraw/zinc/80/75/69/585807569.db2.gz WEJQCSRUQAKVRB-SECBINFHSA-N -1 3 239.296 1.876 20 10 BDCDHM [O-]c1ccccc1CN1C[C@@H](O)CC(F)(F)C1 ZINC000787437720 585909611 /nfs/dbraw/zinc/90/96/11/585909611.db2.gz BDKASXQGGVPVAM-JTQLQIEISA-N -1 3 243.253 1.594 20 10 BDCDHM C[C@@H]1C[C@@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000792531643 586002107 /nfs/dbraw/zinc/00/21/07/586002107.db2.gz OYTFCOGCVALXPN-HTQZYQBOSA-N -1 3 221.256 1.721 20 10 BDCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)CCC1=O ZINC000807276378 586431515 /nfs/dbraw/zinc/43/15/15/586431515.db2.gz WBQZNHBFITZAEN-ZETCQYMHSA-N -1 3 239.296 1.505 20 10 BDCDHM CCOc1ccc(CN2CCO[C@@H]3C[C@@H]32)c([O-])c1 ZINC000814172521 586615492 /nfs/dbraw/zinc/61/54/92/586615492.db2.gz QKWZVZXEQUIBOY-GXTWGEPZSA-N -1 3 249.310 1.764 20 10 BDCDHM C[C@@H]1CC[C@H](O)CN1C(=O)c1cc([O-])cs1 ZINC000817768160 586826637 /nfs/dbraw/zinc/82/66/37/586826637.db2.gz HKMNBHSYTRXCFI-SFYZADRCSA-N -1 3 241.312 1.439 20 10 BDCDHM CCOc1ccc(C[N@H+](C)CC(=O)[O-])c([O-])c1 ZINC000820387538 587045437 /nfs/dbraw/zinc/04/54/37/587045437.db2.gz SHJRCVJUXDHDFU-UHFFFAOYSA-N -1 3 239.271 1.307 20 10 BDCDHM CCOc1ccc(C[N@@H+](C)CC(=O)[O-])c([O-])c1 ZINC000820387538 587045438 /nfs/dbraw/zinc/04/54/38/587045438.db2.gz SHJRCVJUXDHDFU-UHFFFAOYSA-N -1 3 239.271 1.307 20 10 BDCDHM O=C(N[C@@H]1CC12CC2)c1cc([O-])cs1 ZINC000822402298 587166173 /nfs/dbraw/zinc/16/61/73/587166173.db2.gz ZUXRHKHFVMGOKO-MRVPVSSYSA-N -1 3 209.270 1.736 20 10 BDCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1C[C@@H](O)C1 ZINC000825256560 587311205 /nfs/dbraw/zinc/31/12/05/587311205.db2.gz ARHIJMHXEDOGNJ-KNVOCYPGSA-N -1 3 245.681 1.798 20 10 BDCDHM O=C(NC1(CO)CCCC1)c1cc([O-])cs1 ZINC000831250235 587593514 /nfs/dbraw/zinc/59/35/14/587593514.db2.gz UQTDXZVLBQUKTP-UHFFFAOYSA-N -1 3 241.312 1.489 20 10 BDCDHM CCOC1CN(C(=O)c2cc([O-])cs2)C1 ZINC000832927137 587695029 /nfs/dbraw/zinc/69/50/29/587695029.db2.gz PJYYPWQYGTYCSD-UHFFFAOYSA-N -1 3 227.285 1.315 20 10 BDCDHM C[C@H](CCCCO)NC(=O)c1cc([O-])cs1 ZINC000833696484 587728499 /nfs/dbraw/zinc/72/84/99/587728499.db2.gz URIBLFBIPMIOFY-MRVPVSSYSA-N -1 3 243.328 1.735 20 10 BDCDHM CO[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000834333322 587752239 /nfs/dbraw/zinc/75/22/39/587752239.db2.gz KMMHORHYNQIKNH-RKDXNWHRSA-N -1 3 241.312 1.751 20 10 BDCDHM O=C([O-])[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000843037954 588075463 /nfs/dbraw/zinc/07/54/63/588075463.db2.gz CNSNRDZZSMMXHG-KOLCDFICSA-N -1 3 235.283 1.735 20 10 BDCDHM CO[C@H]1C[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000863771115 589315956 /nfs/dbraw/zinc/31/59/56/589315956.db2.gz ZDWPPSURZKVJDQ-OTSSQURYSA-N -1 3 241.312 1.609 20 10 BDCDHM C[S@@](=O)CCNCc1c([O-])cccc1Cl ZINC000124176395 589958263 /nfs/dbraw/zinc/95/82/63/589958263.db2.gz JIANMAWXBVUSJN-HNNXBMFYSA-N -1 3 247.747 1.514 20 10 BDCDHM CC[C@@H](OC(=O)c1cc([O-])cs1)C(C)=O ZINC000873359069 590030012 /nfs/dbraw/zinc/03/00/12/590030012.db2.gz GWMXZAJYFNROCN-MRVPVSSYSA-N -1 3 228.269 1.978 20 10 BDCDHM Cc1cccc([O-])c1CN1CCOCC1 ZINC000876509416 590204922 /nfs/dbraw/zinc/20/49/22/590204922.db2.gz FTGQFQVKPFAWPL-UHFFFAOYSA-N -1 3 207.273 1.533 20 10 BDCDHM CCNC(=O)CN(C)Cc1c(C)cccc1[O-] ZINC000876621806 590223211 /nfs/dbraw/zinc/22/32/11/590223211.db2.gz IZFLCFAEHONIPW-UHFFFAOYSA-N -1 3 236.315 1.269 20 10 BDCDHM Cc1ccc(CN2CCNC(=O)C2(C)C)c([O-])c1 ZINC000876689674 590230067 /nfs/dbraw/zinc/23/00/67/590230067.db2.gz JMOHEWASILLXFZ-UHFFFAOYSA-N -1 3 248.326 1.411 20 10 BDCDHM CC[C@@H]1C(=O)NCCN1Cc1ccc(C)cc1[O-] ZINC000876686039 590230326 /nfs/dbraw/zinc/23/03/26/590230326.db2.gz NRPMTUJUZYKKJV-GFCCVEGCSA-N -1 3 248.326 1.411 20 10 BDCDHM Cc1cccc([O-])c1CN1CCn2cnnc2C1 ZINC000876708069 590232991 /nfs/dbraw/zinc/23/29/91/590232991.db2.gz GWJSWGZYINWRCG-UHFFFAOYSA-N -1 3 244.298 1.308 20 10 BDCDHM O=C(Nc1ccccn1)c1cccc(O)c1[O-] ZINC000126191945 590246772 /nfs/dbraw/zinc/24/67/72/590246772.db2.gz VUBKCYDTADIBIT-UHFFFAOYSA-N -1 3 230.223 1.745 20 10 BDCDHM Cc1ccc(CN2CCN(C)C(=O)[C@@H]2C)c([O-])c1 ZINC000877433084 590326749 /nfs/dbraw/zinc/32/67/49/590326749.db2.gz ITQODYASIFJGQI-NSHDSACASA-N -1 3 248.326 1.363 20 10 BDCDHM CN(Cc1ccc(F)c(F)c1[O-])C1(CO)CC1 ZINC000877642345 590383160 /nfs/dbraw/zinc/38/31/60/590383160.db2.gz VDAFASKFWJNVPZ-UHFFFAOYSA-N -1 3 243.253 1.627 20 10 BDCDHM Cc1cnn(C)c1CN1Cc2cccc([O-])c2C1 ZINC000877702931 590395576 /nfs/dbraw/zinc/39/55/76/590395576.db2.gz KPLNNQWROGTTBX-UHFFFAOYSA-N -1 3 243.310 1.950 20 10 BDCDHM C[C@@H](NCc1cnon1)c1ccccc1[O-] ZINC000879649425 590841338 /nfs/dbraw/zinc/84/13/38/590841338.db2.gz SLISKKVANAIERZ-MRVPVSSYSA-N -1 3 219.244 1.626 20 10 BDCDHM [O-]c1cccc(Cl)c1CN1CC[C@H](O)C1 ZINC000128163453 590916441 /nfs/dbraw/zinc/91/64/41/590916441.db2.gz GZXNRAUIGUCETK-QMMMGPOBSA-N -1 3 227.691 1.612 20 10 BDCDHM C[C@@H](C(=O)[O-])[N@H+](C)Cc1ccccc1[O-] ZINC000083406841 597060095 /nfs/dbraw/zinc/06/00/95/597060095.db2.gz KJGXRCXISSERAH-QMMMGPOBSA-N -1 3 209.245 1.297 20 10 BDCDHM C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[O-] ZINC000083406841 597060102 /nfs/dbraw/zinc/06/01/02/597060102.db2.gz KJGXRCXISSERAH-QMMMGPOBSA-N -1 3 209.245 1.297 20 10 BDCDHM O=C([O-])CCCC[NH2+]Cc1ccccc1[O-] ZINC000236417763 598165996 /nfs/dbraw/zinc/16/59/96/598165996.db2.gz HGJDUOJCZSPLHX-UHFFFAOYSA-N -1 3 223.272 1.737 20 10 BDCDHM Cn1ccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000229413070 635470104 /nfs/dbraw/zinc/47/01/04/635470104.db2.gz CBAXHXPQAUDXBK-UHFFFAOYSA-N -1 3 246.266 1.366 20 10 BDCDHM CC1(C)C[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000229315618 640947298 /nfs/dbraw/zinc/94/72/98/640947298.db2.gz MUGUPMMFVDZYDY-QMMMGPOBSA-N -1 3 235.283 1.874 20 10 BDCDHM C[C@H]1C[N@H+](Cc2ccccc2[O-])CC[C@@H]1C(=O)[O-] ZINC000306071584 642719738 /nfs/dbraw/zinc/71/97/38/642719738.db2.gz WQWCDUSQPDYHJX-JQWIXIFHSA-N -1 3 249.310 1.935 20 10 BDCDHM C[C@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@@H]1C(=O)[O-] ZINC000306071584 642719748 /nfs/dbraw/zinc/71/97/48/642719748.db2.gz WQWCDUSQPDYHJX-JQWIXIFHSA-N -1 3 249.310 1.935 20 10 BDCDHM O=C([O-])C[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000086791299 644472270 /nfs/dbraw/zinc/47/22/70/644472270.db2.gz DYHQHZZSBLTANY-LLVKDONJSA-N -1 3 235.283 1.831 20 10 BDCDHM O=C([O-])C[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000086791299 644472284 /nfs/dbraw/zinc/47/22/84/644472284.db2.gz DYHQHZZSBLTANY-LLVKDONJSA-N -1 3 235.283 1.831 20 10 BDCDHM CO[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000708413779 712193639 /nfs/dbraw/zinc/19/36/39/712193639.db2.gz NYOASLDNIJRXAA-SNVBAGLBSA-N -1 3 243.253 1.891 20 10 BDCDHM O=C(NCc1cocn1)c1cccc(O)c1[O-] ZINC000397962294 711397877 /nfs/dbraw/zinc/39/78/77/711397877.db2.gz IKPNPWGSTZUPDM-UHFFFAOYSA-N -1 3 234.211 1.016 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1C2CCC1CC2 ZINC000398937514 711417386 /nfs/dbraw/zinc/41/73/86/711417386.db2.gz IENAPOHPRAMOFE-UHFFFAOYSA-N -1 3 233.267 1.865 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](CF)C1 ZINC000711472638 712303177 /nfs/dbraw/zinc/30/31/77/712303177.db2.gz VNVCEDOLIQMHDD-QMMMGPOBSA-N -1 3 239.246 1.529 20 10 BDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc[nH]1 ZINC000790911933 712422017 /nfs/dbraw/zinc/42/20/17/712422017.db2.gz WAKXKKPMHUNWFM-MRVPVSSYSA-N -1 3 246.266 1.917 20 10 BDCDHM C[C@]1(O)CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233332327 978560768 /nfs/dbraw/zinc/56/07/68/978560768.db2.gz HGFOGIMJBCPKLG-LBPRGKRZSA-N -1 3 243.253 1.627 20 10 BDCDHM CN(CCO)Cc1c([O-])cc(F)cc1F ZINC001236254639 979471322 /nfs/dbraw/zinc/47/13/22/979471322.db2.gz CFVKPOPSJVIELU-UHFFFAOYSA-N -1 3 217.215 1.095 20 10 BDCDHM [O-]c1cc(F)c(F)cc1CN1CCC(O)CC1 ZINC001142502701 961461589 /nfs/dbraw/zinc/46/15/89/961461589.db2.gz UUFPMUBWXGYXQM-UHFFFAOYSA-N -1 3 243.253 1.627 20 10 BDCDHM CC(C)[C@@H](C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581774 973868895 /nfs/dbraw/zinc/86/88/95/973868895.db2.gz VUOQHZFCEMWUAL-SSDOTTSWSA-N -1 3 239.271 1.578 20 10 BDCDHM O=C([O-])[C@H](CC1CC1)[NH2+]Cc1ccccc1[O-] ZINC001334776628 976642262 /nfs/dbraw/zinc/64/22/62/976642262.db2.gz HGFMEIRSAOCMAV-NSHDSACASA-N -1 3 235.283 1.735 20 10 BDCDHM O=C1CN(Cc2c([O-])ccc3ccccc32)C1 ZINC001231590123 977634842 /nfs/dbraw/zinc/63/48/42/977634842.db2.gz KNNBXNNAKKGETC-UHFFFAOYSA-N -1 3 227.263 1.930 20 10 BDCDHM CC[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)[O-] ZINC001603915942 979542988 /nfs/dbraw/zinc/54/29/88/979542988.db2.gz WQFNGKSKCPRUOR-ZJUUUORDSA-N -1 3 235.283 1.832 20 10 BDCDHM Cc1ccc(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)c([O-])c1 ZINC001605273266 979849018 /nfs/dbraw/zinc/84/90/18/979849018.db2.gz STUFFWKZVKMMSM-CQSZACIVSA-N -1 3 249.310 1.997 20 10 BDCDHM Cc1ccc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c([O-])c1 ZINC001605273266 979849023 /nfs/dbraw/zinc/84/90/23/979849023.db2.gz STUFFWKZVKMMSM-CQSZACIVSA-N -1 3 249.310 1.997 20 10 BDCDHM CC[NH2+][C@@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590745656 982981608 /nfs/dbraw/zinc/98/16/08/982981608.db2.gz LOSFDXKRSYHGHU-JTQLQIEISA-N -1 3 247.302 1.633 20 10 BDCDHM CCN(OC)C(=O)c1cccc(O)c1[O-] ZINC001529028624 990328794 /nfs/dbraw/zinc/32/87/94/990328794.db2.gz VVVUKGXXJJIFCJ-UHFFFAOYSA-N -1 3 211.217 1.121 20 10 BDCDHM [O-]c1cccc(F)c1CN1CC[C@@H](F)[C@@H](O)C1 ZINC001137831506 990853206 /nfs/dbraw/zinc/85/32/06/990853206.db2.gz CAHWFUCTTCCTKP-PWSUYJOCSA-N -1 3 243.253 1.436 20 10 BDCDHM [O-]c1cccc(F)c1CN1CC2(COC2)C1 ZINC001137831611 990853435 /nfs/dbraw/zinc/85/34/35/990853435.db2.gz HJPNLIRHFKGWMF-UHFFFAOYSA-N -1 3 223.247 1.364 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@]12CCOC2 ZINC001299517433 991510401 /nfs/dbraw/zinc/51/04/01/991510401.db2.gz RPNJZGXOZSPAQY-CYBMUJFWSA-N -1 3 249.266 1.103 20 10 BDCDHM O=C1CCN(Cc2cc(F)ccc2[O-])C[C@H]1F ZINC001140055444 991511624 /nfs/dbraw/zinc/51/16/24/991511624.db2.gz YQHRGDXHGMZJKP-SNVBAGLBSA-N -1 3 241.237 1.644 20 10 BDCDHM CCS(=O)(=O)Nc1ccc([O-])cc1F ZINC000033794418 343260912 /nfs/dbraw/zinc/26/09/12/343260912.db2.gz CGIUHZSKKQHFFI-UHFFFAOYSA-N -1 3 219.237 1.293 20 10 BDCDHM O=C([O-])[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000083413617 345918322 /nfs/dbraw/zinc/91/83/22/345918322.db2.gz BBSGSCVFNYIJCI-SNVBAGLBSA-N -1 3 221.256 1.299 20 10 BDCDHM O=C([O-])[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000083413617 345918324 /nfs/dbraw/zinc/91/83/24/345918324.db2.gz BBSGSCVFNYIJCI-SNVBAGLBSA-N -1 3 221.256 1.299 20 10 BDCDHM [O-]c1ccccc1CN1CCOC[C@]12CCOC2 ZINC000195009717 347439304 /nfs/dbraw/zinc/43/93/04/347439304.db2.gz LKXXWLYXCOJVOG-CQSZACIVSA-N -1 3 249.310 1.384 20 10 BDCDHM NC(=O)NCc1cc(Br)ccc1[O-] ZINC000306721288 350888741 /nfs/dbraw/zinc/88/87/41/350888741.db2.gz DLNBIKLOFFCOGT-UHFFFAOYSA-N -1 3 245.076 1.323 20 10 BDCDHM Cc1nnc(CN(C)Cc2ccccc2[O-])[nH]1 ZINC000272233167 385886275 /nfs/dbraw/zinc/88/62/75/385886275.db2.gz FBZZOSPSJKWACE-UHFFFAOYSA-N -1 3 232.287 1.451 20 10 BDCDHM CN(CCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000294905691 386692355 /nfs/dbraw/zinc/69/23/55/386692355.db2.gz MWPPTBDJNBWVMM-UHFFFAOYSA-N -1 3 233.670 1.609 20 10 BDCDHM CN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000139745933 173086312 /nfs/dbraw/zinc/08/63/12/173086312.db2.gz PSCPIMOPTIOHAF-UHFFFAOYSA-N -1 3 224.279 1.279 20 10 BDCDHM CN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000082306180 173086876 /nfs/dbraw/zinc/08/68/76/173086876.db2.gz GPZFTHSNSQIGTO-UHFFFAOYSA-N -1 3 240.734 1.793 20 10 BDCDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H]1C ZINC000193127135 177154931 /nfs/dbraw/zinc/15/49/31/177154931.db2.gz XUBKEMNLZXOFHM-IUCAKERBSA-N -1 3 235.283 1.968 20 10 BDCDHM O=C(NCC1CC=CC1)c1cccc(O)c1[O-] ZINC000529708691 324381986 /nfs/dbraw/zinc/38/19/86/324381986.db2.gz AXRSULCMKKOBTG-UHFFFAOYSA-N -1 3 233.267 1.794 20 10 BDCDHM O=C(c1cc([O-])cs1)N(C1CC1)C1COC1 ZINC000854680885 588800928 /nfs/dbraw/zinc/80/09/28/588800928.db2.gz TVEICVLPVKTEKE-UHFFFAOYSA-N -1 3 239.296 1.457 20 10 BDCDHM C[C@H](N(C)C(=O)c1cc([O-])cs1)C(C)(C)O ZINC000854762538 588805005 /nfs/dbraw/zinc/80/50/05/588805005.db2.gz WHWMNMAJQHOUFO-ZETCQYMHSA-N -1 3 243.328 1.685 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CC[C@@]2(O)C[C@H]2C1 ZINC000855842426 588850844 /nfs/dbraw/zinc/85/08/44/588850844.db2.gz FHSPDDXKUYXYAN-WRWORJQWSA-N -1 3 239.296 1.051 20 10 BDCDHM [O-]c1c(Cl)cccc1CN1C[C@H]2C[C@@]2(O)C1 ZINC000895654425 583701244 /nfs/dbraw/zinc/70/12/44/583701244.db2.gz RICHJUHYBKLTMB-BXKDBHETSA-N -1 3 239.702 1.612 20 10 BDCDHM O=C1OCC[C@@H]1NCc1c([O-])cccc1Cl ZINC000895800538 583730725 /nfs/dbraw/zinc/73/07/25/583730725.db2.gz CVGBXECYQHSHPU-VIFPVBQESA-N -1 3 241.674 1.451 20 10 BDCDHM Cc1cc(CNCc2c([O-])cccc2F)nn1C ZINC000896638526 583819906 /nfs/dbraw/zinc/81/99/06/583819906.db2.gz QUDBGALRQBJQMQ-UHFFFAOYSA-N -1 3 249.289 1.863 20 10 BDCDHM Cc1noc([C@H](C)NCc2ccccc2[O-])n1 ZINC000729684955 584022397 /nfs/dbraw/zinc/02/23/97/584022397.db2.gz YTFPXCIDFURLQN-QMMMGPOBSA-N -1 3 233.271 1.934 20 10 BDCDHM O=C(NCC(F)(F)F)c1cc([O-])cs1 ZINC000731867945 584930449 /nfs/dbraw/zinc/93/04/49/584930449.db2.gz DJLOQUMZURQRQK-UHFFFAOYSA-N -1 3 225.191 1.746 20 10 BDCDHM COCCN(C)C(=O)c1cc([O-])cs1 ZINC000732275022 584935206 /nfs/dbraw/zinc/93/52/06/584935206.db2.gz QEBZYTXSXGATOA-UHFFFAOYSA-N -1 3 215.274 1.172 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCc2n[nH]cc2C1 ZINC000732277070 584935636 /nfs/dbraw/zinc/93/56/36/584935636.db2.gz DFUZQTMPYKJHMF-UHFFFAOYSA-N -1 3 249.295 1.375 20 10 BDCDHM C[C@H]1OCC[C@]1(C)NC(=O)c1cc([O-])cs1 ZINC000753504970 585260048 /nfs/dbraw/zinc/26/00/48/585260048.db2.gz WRQYHMUYSRPBEU-HQJQHLMTSA-N -1 3 241.312 1.751 20 10 BDCDHM C[C@@H]1CC[C@@H](CNC(=O)c2cc([O-])cs2)O1 ZINC000839791595 585371669 /nfs/dbraw/zinc/37/16/69/585371669.db2.gz DEHAPOMTVKVZJX-APPZFPTMSA-N -1 3 241.312 1.751 20 10 BDCDHM CN(C(=O)c1cc([O-])cs1)[C@@H]1CCOC1 ZINC000762566931 585434125 /nfs/dbraw/zinc/43/41/25/585434125.db2.gz AQNHWCAQXPDAJO-SSDOTTSWSA-N -1 3 227.285 1.315 20 10 BDCDHM O=C(N[C@@H](CCO)C1CC1)c1cc([O-])cs1 ZINC000764707526 585471582 /nfs/dbraw/zinc/47/15/82/585471582.db2.gz WVIGQBUYDSSXIX-VIFPVBQESA-N -1 3 241.312 1.345 20 10 BDCDHM Cn1nccc1COC(=O)c1cc([O-])cs1 ZINC000773519377 585639312 /nfs/dbraw/zinc/63/93/12/585639312.db2.gz WETDUJVOINMPIT-UHFFFAOYSA-N -1 3 238.268 1.544 20 10 BDCDHM CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000779454374 585755135 /nfs/dbraw/zinc/75/51/35/585755135.db2.gz OFXYHRFAMFZCKW-IUCAKERBSA-N -1 3 241.312 1.343 20 10 BDCDHM COC1(CNC(=O)c2cc([O-])cs2)CCC1 ZINC000780763447 585784662 /nfs/dbraw/zinc/78/46/62/585784662.db2.gz DDHWJETXJKTUJQ-UHFFFAOYSA-N -1 3 241.312 1.753 20 10 BDCDHM C[C@H](O)[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000780803150 585785201 /nfs/dbraw/zinc/78/52/01/585785201.db2.gz IPTYAFWLGCEAAZ-YUMQZZPRSA-N -1 3 241.312 1.297 20 10 BDCDHM O=C(NCCC1(O)CCC1)c1cc([O-])cs1 ZINC000807563356 586446043 /nfs/dbraw/zinc/44/60/43/586446043.db2.gz GYJQBZYMQNBHPQ-UHFFFAOYSA-N -1 3 241.312 1.489 20 10 BDCDHM C[C@H]1CSC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000807692531 586448539 /nfs/dbraw/zinc/44/85/39/586448539.db2.gz ZSIGOEPJJIKWNZ-XPUUQOCRSA-N -1 3 243.353 1.935 20 10 BDCDHM CN(CC(N)=O)Cc1ccc2ccccc2c1[O-] ZINC000816484602 586736360 /nfs/dbraw/zinc/73/63/60/586736360.db2.gz IQWYJEOWHUXCNF-UHFFFAOYSA-N -1 3 244.294 1.463 20 10 BDCDHM Cc1ccc([C@@H](C)NCC(F)(F)CN)c([O-])c1 ZINC000817966258 586854580 /nfs/dbraw/zinc/85/45/80/586854580.db2.gz JTDKPHLMQSGJRD-SECBINFHSA-N -1 3 244.285 1.945 20 10 BDCDHM C[N@H+](CC(=O)[O-])Cc1cc2c(cc1[O-])CCCC2 ZINC000820569570 587055139 /nfs/dbraw/zinc/05/51/39/587055139.db2.gz ZHIOJSPOPNMTAU-UHFFFAOYSA-N -1 3 249.310 1.787 20 10 BDCDHM C[N@@H+](CC(=O)[O-])Cc1cc2c(cc1[O-])CCCC2 ZINC000820569570 587055141 /nfs/dbraw/zinc/05/51/41/587055141.db2.gz ZHIOJSPOPNMTAU-UHFFFAOYSA-N -1 3 249.310 1.787 20 10 BDCDHM CC1(C)COCCN1C(=O)c1cc([O-])cs1 ZINC000823454679 587223572 /nfs/dbraw/zinc/22/35/72/587223572.db2.gz KEFOGIDDUCKKJK-UHFFFAOYSA-N -1 3 241.312 1.705 20 10 BDCDHM [O-]c1cc(F)c(Cl)cc1CNC/C=C\CO ZINC000826941302 587366297 /nfs/dbraw/zinc/36/62/97/587366297.db2.gz HXLJXGSXTJFGGA-UPHRSURJSA-N -1 3 245.681 1.823 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCC[C@H]1CO ZINC000831264061 587594342 /nfs/dbraw/zinc/59/43/42/587594342.db2.gz ZBKGIXAUWLAKRQ-ZETCQYMHSA-N -1 3 227.285 1.051 20 10 BDCDHM CC(F)(F)CNC(=O)c1cc([O-])cs1 ZINC000832876573 587694262 /nfs/dbraw/zinc/69/42/62/587694262.db2.gz CVOHHPDMFIIKMJ-UHFFFAOYSA-N -1 3 221.228 1.839 20 10 BDCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)[C@H]1C ZINC000832888669 587694479 /nfs/dbraw/zinc/69/44/79/587694479.db2.gz KYJIQLGSODZEOQ-BQBZGAKWSA-N -1 3 211.286 1.934 20 10 BDCDHM CC[C@H](CO)N(C)C(=O)c1cc([O-])cs1 ZINC000833337023 587706829 /nfs/dbraw/zinc/70/68/29/587706829.db2.gz MBHTXRYJTCTLCE-SSDOTTSWSA-N -1 3 229.301 1.297 20 10 BDCDHM CC(C)(O)C(=O)NCc1cc(Cl)ccc1[O-] ZINC000846474308 588267131 /nfs/dbraw/zinc/26/71/31/588267131.db2.gz UIUCCEFGSJUFLW-UHFFFAOYSA-N -1 3 243.690 1.433 20 10 BDCDHM [O-]c1ccccc1CN1CC2(C1)CCCO2 ZINC000862484520 589217119 /nfs/dbraw/zinc/21/71/19/589217119.db2.gz SMLXHEXLLBVQHS-UHFFFAOYSA-N -1 3 219.284 1.757 20 10 BDCDHM Cc1cccc([O-])c1CN(C)CC(=O)N(C)C ZINC000876541896 590212755 /nfs/dbraw/zinc/21/27/55/590212755.db2.gz LNZNADBVZSJACV-UHFFFAOYSA-N -1 3 236.315 1.221 20 10 BDCDHM Cc1ccc(CN[C@H](C)c2nncn2C)c([O-])c1 ZINC000877016434 590269557 /nfs/dbraw/zinc/26/95/57/590269557.db2.gz GHWJWPJHWPQQDF-SNVBAGLBSA-N -1 3 246.314 1.680 20 10 BDCDHM CCOC1CN(Cc2c(C)cccc2[O-])C1 ZINC000877579901 590364824 /nfs/dbraw/zinc/36/48/24/590364824.db2.gz IFTLRXPHMSGZSG-UHFFFAOYSA-N -1 3 221.300 1.921 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CCCCO1 ZINC000126612274 590373846 /nfs/dbraw/zinc/37/38/46/590373846.db2.gz CQPDFGSQSCCLPT-UHFFFAOYSA-N -1 3 223.228 1.265 20 10 BDCDHM Cc1cccc([O-])c1CN(C)Cc1cn(C)nn1 ZINC000877630713 590378116 /nfs/dbraw/zinc/37/81/16/590378116.db2.gz KEXVSEVPKRDQMT-UHFFFAOYSA-N -1 3 246.314 1.461 20 10 BDCDHM Cc1c[nH]c(CN2Cc3cccc([O-])c3C2)n1 ZINC000877703091 590396338 /nfs/dbraw/zinc/39/63/38/590396338.db2.gz RCEGHCXGXJZGSU-UHFFFAOYSA-N -1 3 229.283 1.940 20 10 BDCDHM COCC1CN(C(=O)c2cc([O-])cs2)C1 ZINC000880596410 591107106 /nfs/dbraw/zinc/10/71/06/591107106.db2.gz NLARXNQJRABEOK-UHFFFAOYSA-N -1 3 227.285 1.172 20 10 BDCDHM C[C@@H]1C(=O)CCCN1C(=O)c1cc([O-])cs1 ZINC000885053079 592040623 /nfs/dbraw/zinc/04/06/23/592040623.db2.gz DAMQWUYIKRVIHM-SSDOTTSWSA-N -1 3 239.296 1.647 20 10 BDCDHM C[C@H](NC/C=C/CO)c1c([O-])cccc1F ZINC000886636070 592284265 /nfs/dbraw/zinc/28/42/65/592284265.db2.gz FSWKWNILDIJVJU-HPOULIHZSA-N -1 3 225.263 1.730 20 10 BDCDHM CO[C@@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000300045463 592501531 /nfs/dbraw/zinc/50/15/31/592501531.db2.gz LGLYVVPMWSYTRL-SNVBAGLBSA-N -1 3 225.263 1.752 20 10 BDCDHM O=C([O-])CCC[NH2+]Cc1ccccc1[O-] ZINC000037417562 597264577 /nfs/dbraw/zinc/26/45/77/597264577.db2.gz JUFLWPXDUFFPCJ-UHFFFAOYSA-N -1 3 209.245 1.347 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)NCC(F)F ZINC000931635107 640300396 /nfs/dbraw/zinc/30/03/96/640300396.db2.gz RXNOBXHALOGQJN-UHFFFAOYSA-N -1 3 248.204 1.596 20 10 BDCDHM Cn1cnc(NCc2c([O-])cccc2Cl)n1 ZINC000390767926 711133635 /nfs/dbraw/zinc/13/36/35/711133635.db2.gz SNFLIRCLJRIWSP-UHFFFAOYSA-N -1 3 238.678 1.208 20 10 BDCDHM CCOCCC(=O)NCc1c([O-])cccc1F ZINC000928712264 711786126 /nfs/dbraw/zinc/78/61/26/711786126.db2.gz PQUKLWGYCYEBBO-UHFFFAOYSA-N -1 3 241.262 1.574 20 10 BDCDHM Cc1c(NC(=O)c2cccc(O)c2[O-])cnn1C ZINC000193132054 712727720 /nfs/dbraw/zinc/72/77/20/712727720.db2.gz MEBFRAWJOAUKSN-UHFFFAOYSA-N -1 3 247.254 1.392 20 10 BDCDHM C[C@H]([NH2+][C@H](C(=O)[O-])C1CC1)c1ccccc1[O-] ZINC000086758336 957983569 /nfs/dbraw/zinc/98/35/69/957983569.db2.gz ZCRNNBVYGBTDSN-UFBFGSQYSA-N -1 3 235.283 1.906 20 10 BDCDHM O=C([O-])C[N@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000236428865 960583701 /nfs/dbraw/zinc/58/37/01/960583701.db2.gz ARXXKSNVEBMMHN-UHFFFAOYSA-N -1 3 239.246 1.580 20 10 BDCDHM O=C([O-])C[N@@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000236428865 960583718 /nfs/dbraw/zinc/58/37/18/960583718.db2.gz ARXXKSNVEBMMHN-UHFFFAOYSA-N -1 3 239.246 1.580 20 10 BDCDHM CCCO[N-]C(=O)Cc1ccc(O)c(O)c1 ZINC001299905396 964123099 /nfs/dbraw/zinc/12/30/99/964123099.db2.gz JQZZMJGZXNJXCQ-UHFFFAOYSA-N -1 3 225.244 1.098 20 10 BDCDHM CNc1ccccc1NCCCc1c[n-][nH]c1=O ZINC001164394975 965869607 /nfs/dbraw/zinc/86/96/07/965869607.db2.gz IQVSRNIAEDMRFV-SNVBAGLBSA-N -1 3 246.314 1.652 20 10 BDCDHM C[C@H]1CC(=O)CCN1C(=O)c1cccc(O)c1[O-] ZINC001148219017 973811770 /nfs/dbraw/zinc/81/17/70/973811770.db2.gz RMMOAIAEGWETEQ-QMMMGPOBSA-N -1 3 249.266 1.291 20 10 BDCDHM Cc1cc([O-])c(CN2CC(O)C2)cc1Cl ZINC001231869286 977773869 /nfs/dbraw/zinc/77/38/69/977773869.db2.gz PDKYXMSXTWLUMY-UHFFFAOYSA-N -1 3 227.691 1.531 20 10 BDCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H](CO)C1 ZINC001233334878 978568112 /nfs/dbraw/zinc/56/81/12/978568112.db2.gz XNXKULPCGAXOPU-QMMMGPOBSA-N -1 3 243.253 1.485 20 10 BDCDHM Cc1ccc(C[NH2+][C@@H](C(=O)[O-])C2CC2)c([O-])c1 ZINC001600418206 978693100 /nfs/dbraw/zinc/69/31/00/978693100.db2.gz YLJJBHVOZHZUFH-GFCCVEGCSA-N -1 3 235.283 1.653 20 10 BDCDHM Cc1ccc(C[N@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c([O-])c1 ZINC001607781267 980127618 /nfs/dbraw/zinc/12/76/18/980127618.db2.gz MRLWRMXTJDRWIV-PJXYFTJBSA-N -1 3 247.294 1.463 20 10 BDCDHM Cc1ccc(C[N@@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c([O-])c1 ZINC001607781267 980127626 /nfs/dbraw/zinc/12/76/26/980127626.db2.gz MRLWRMXTJDRWIV-PJXYFTJBSA-N -1 3 247.294 1.463 20 10 BDCDHM CCN(OC)C(=O)c1ccc(C)c(O)c1[O-] ZINC001347836162 981189232 /nfs/dbraw/zinc/18/92/32/981189232.db2.gz CZEYPFMKTAEMLN-UHFFFAOYSA-N -1 3 225.244 1.430 20 10 BDCDHM C=CS(=O)(=O)Nc1ccc([O-])c(F)c1 ZINC001198602404 982789829 /nfs/dbraw/zinc/78/98/29/982789829.db2.gz GQUCDCXXTJRJEX-UHFFFAOYSA-N -1 3 217.221 1.417 20 10 BDCDHM [O-]c1cccc(F)c1CN1CC[C@](F)(CO)C1 ZINC001137831639 990853703 /nfs/dbraw/zinc/85/37/03/990853703.db2.gz IGAMWPLOOFLYTG-GFCCVEGCSA-N -1 3 243.253 1.438 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CC(F)(CO)C1 ZINC001140057710 991508938 /nfs/dbraw/zinc/50/89/38/991508938.db2.gz KVOUWKPAWQGCDW-UHFFFAOYSA-N -1 3 229.226 1.048 20 10 BDCDHM [O-]c1cc(Cl)ccc1CN1CC(O)C1 ZINC001140461574 991643711 /nfs/dbraw/zinc/64/37/11/991643711.db2.gz MHHKBAIVJVEEER-UHFFFAOYSA-N -1 3 213.664 1.222 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)c1cc[nH]c1 ZINC001303879026 995177483 /nfs/dbraw/zinc/17/74/83/995177483.db2.gz SYHNAEMRERAIDA-UHFFFAOYSA-N -1 3 234.230 1.789 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)c1ncc[nH]1 ZINC001303875484 995177761 /nfs/dbraw/zinc/17/77/61/995177761.db2.gz IXGCDQCKXJQXJV-UHFFFAOYSA-N -1 3 235.218 1.184 20 10 BDCDHM Cc1ccc(C(=O)N2CCCOC2)c([O-])c1O ZINC000297124743 178387603 /nfs/dbraw/zinc/38/76/03/178387603.db2.gz PJIDMMWNZRNDQY-UHFFFAOYSA-N -1 3 237.255 1.226 20 10 BDCDHM Cc1ccc([C@@H](C)NCC(F)(F)CO)c([O-])c1 ZINC000184705191 187311225 /nfs/dbraw/zinc/31/12/25/187311225.db2.gz XJRIBXJGNHLPCH-SECBINFHSA-N -1 3 245.269 1.979 20 10 BDCDHM CC1(C)CN(Cc2cccc(F)c2[O-])C[C@H]1O ZINC000280438110 351844312 /nfs/dbraw/zinc/84/43/12/351844312.db2.gz KAROWCASTHCVAE-LLVKDONJSA-N -1 3 239.290 1.734 20 10 BDCDHM CC1(C)CN(Cc2cccc(F)c2[O-])C[C@@H]1O ZINC000280438122 351844475 /nfs/dbraw/zinc/84/44/75/351844475.db2.gz KAROWCASTHCVAE-NSHDSACASA-N -1 3 239.290 1.734 20 10 BDCDHM [O-]c1c(F)cccc1CN1CCCOCC1 ZINC000165417609 353353188 /nfs/dbraw/zinc/35/31/88/353353188.db2.gz ZGZFPYBHJTXLBG-UHFFFAOYSA-N -1 3 225.263 1.754 20 10 BDCDHM CN(Cc1ncc[nH]1)Cc1ccccc1[O-] ZINC000111235372 383843577 /nfs/dbraw/zinc/84/35/77/383843577.db2.gz XXVKREPDJSFXIG-UHFFFAOYSA-N -1 3 217.272 1.747 20 10 BDCDHM C[C@@H](NCC(F)(F)CO)c1ccccc1[O-] ZINC000184699854 384641117 /nfs/dbraw/zinc/64/11/17/384641117.db2.gz KDYHHEOWCGIOPK-MRVPVSSYSA-N -1 3 231.242 1.670 20 10 BDCDHM CC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000126189901 384743980 /nfs/dbraw/zinc/74/39/80/384743980.db2.gz OZAAWYUXUYOKIE-UHFFFAOYSA-N -1 3 209.245 1.626 20 10 BDCDHM COC[C@@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000126293391 384789534 /nfs/dbraw/zinc/78/95/34/384789534.db2.gz AYAUFPMGNVEREF-MRVPVSSYSA-N -1 3 239.271 1.205 20 10 BDCDHM CON(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000177659240 385270866 /nfs/dbraw/zinc/27/08/66/385270866.db2.gz ZGEOTKUSYRZPPO-UHFFFAOYSA-N -1 3 211.217 1.040 20 10 BDCDHM COC[C@@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000179577470 385475497 /nfs/dbraw/zinc/47/54/97/385475497.db2.gz NAZONRWAQRCMCL-LBPRGKRZSA-N -1 3 237.299 1.239 20 10 BDCDHM CO[C@H](C)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000286395368 387578627 /nfs/dbraw/zinc/57/86/27/387578627.db2.gz MWAFFLWCIRCXTL-MRVPVSSYSA-N -1 3 239.271 1.205 20 10 BDCDHM COC(=O)CN(C)Cc1cc(F)ccc1[O-] ZINC000179935289 410911397 /nfs/dbraw/zinc/91/13/97/410911397.db2.gz QEVSVBWJYCFDKL-UHFFFAOYSA-N -1 3 227.235 1.136 20 10 BDCDHM CCOC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000109770186 170265888 /nfs/dbraw/zinc/26/58/88/170265888.db2.gz ZHJHTPVUDZPAOE-JTQLQIEISA-N -1 3 237.299 1.776 20 10 BDCDHM CCOC(=O)[C@H](C)N[C@@H](C)c1ccccc1[O-] ZINC000049368733 170268156 /nfs/dbraw/zinc/26/81/56/170268156.db2.gz HRXSUWAXZYXWAL-UWVGGRQHSA-N -1 3 237.299 1.994 20 10 BDCDHM CN(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000163269617 172342429 /nfs/dbraw/zinc/34/24/29/172342429.db2.gz NGIFFFFVSXKAMU-UHFFFAOYSA-N -1 3 207.229 1.332 20 10 BDCDHM COCCN(C)Cc1cccc(F)c1[O-] ZINC000165417175 174280829 /nfs/dbraw/zinc/28/08/29/174280829.db2.gz WEEQXRDHKFAIGJ-UHFFFAOYSA-N -1 3 213.252 1.610 20 10 BDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@@H]1C ZINC000294043994 176262080 /nfs/dbraw/zinc/26/20/80/176262080.db2.gz KHMVLFXUWZAZJE-HTQZYQBOSA-N -1 3 221.256 1.578 20 10 BDCDHM C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126193161 177095426 /nfs/dbraw/zinc/09/54/26/177095426.db2.gz HFAOFJZAHGWFCP-VIFPVBQESA-N -1 3 235.283 1.970 20 10 BDCDHM C[C@H]1C[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000163277128 177345077 /nfs/dbraw/zinc/34/50/77/177345077.db2.gz JMIGHOVMOIZQLV-JGVFFNPUSA-N -1 3 221.256 1.484 20 10 BDCDHM Cc1ccc(C(=O)N2CCCCN2)c([O-])c1O ZINC000854427523 588786425 /nfs/dbraw/zinc/78/64/25/588786425.db2.gz DJKDFRITJBEQQT-UHFFFAOYSA-N -1 3 236.271 1.147 20 10 BDCDHM Cc1ccc(C(=O)N2CC[C@H]3C[C@H]3C2)c([O-])c1O ZINC000856060694 588858719 /nfs/dbraw/zinc/85/87/19/588858719.db2.gz ATORDSXQUUSHIJ-UWVGGRQHSA-N -1 3 247.294 1.888 20 10 BDCDHM Cc1ccc(C(=O)N2CC[C@@H]3C[C@@H]3C2)c([O-])c1O ZINC000856060693 588858807 /nfs/dbraw/zinc/85/88/07/588858807.db2.gz ATORDSXQUUSHIJ-NXEZZACHSA-N -1 3 247.294 1.888 20 10 BDCDHM COCC1CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895976991 583755470 /nfs/dbraw/zinc/75/54/70/583755470.db2.gz XDDIPURYBLQUAB-UHFFFAOYSA-N -1 3 243.253 1.749 20 10 BDCDHM [O-]c1cccc(F)c1CNC1CSC1 ZINC000896638581 583820057 /nfs/dbraw/zinc/82/00/57/583820057.db2.gz VXPOBQWLNLGHMI-UHFFFAOYSA-N -1 3 213.277 1.736 20 10 BDCDHM CCO[C@@]1(C)C[C@H]1NC(=O)c1cc([O-])cs1 ZINC000862863816 583971568 /nfs/dbraw/zinc/97/15/68/583971568.db2.gz QGLDVESMUFSSGV-KOLCDFICSA-N -1 3 241.312 1.751 20 10 BDCDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@H]1O ZINC000897684877 584040439 /nfs/dbraw/zinc/04/04/39/584040439.db2.gz YHTRMTLNWXJSSK-QPUJVOFHSA-N -1 3 241.718 1.858 20 10 BDCDHM Cc1ccc(CN2CC[C@H](O)[C@H](F)C2)c([O-])c1 ZINC000898182390 584093524 /nfs/dbraw/zinc/09/35/24/584093524.db2.gz COISBHRVJRYUEW-NEPJUHHUSA-N -1 3 239.290 1.605 20 10 BDCDHM [O-]c1c(Cl)cccc1CN[C@@H]1CNOC1 ZINC000904424964 584880882 /nfs/dbraw/zinc/88/08/82/584880882.db2.gz SFXRBNXGCCHZAK-MRVPVSSYSA-N -1 3 228.679 1.039 20 10 BDCDHM [O-]c1cccc(Cl)c1CN[C@H]1CNOC1 ZINC000904427227 584881675 /nfs/dbraw/zinc/88/16/75/584881675.db2.gz SDVKPNKHOYKETB-ZETCQYMHSA-N -1 3 228.679 1.039 20 10 BDCDHM COC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731865630 584929962 /nfs/dbraw/zinc/92/99/62/584929962.db2.gz NNRRIZXTSQPRBZ-UHFFFAOYSA-N -1 3 241.312 1.705 20 10 BDCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)[C@@H](C)CO1 ZINC000731868504 584930605 /nfs/dbraw/zinc/93/06/05/584930605.db2.gz HAZFGEBOASWYFR-JGVFFNPUSA-N -1 3 241.312 1.703 20 10 BDCDHM O=C(COC(=O)c1cc([O-])cs1)C1CC1 ZINC000732353783 584936088 /nfs/dbraw/zinc/93/60/88/584936088.db2.gz VICIGSDTAVVCJF-UHFFFAOYSA-N -1 3 226.253 1.590 20 10 BDCDHM CCN(CC(C)(C)O)C(=O)c1cc([O-])cs1 ZINC000748420175 585192843 /nfs/dbraw/zinc/19/28/43/585192843.db2.gz XRERLDLZRCKNGP-UHFFFAOYSA-N -1 3 243.328 1.687 20 10 BDCDHM CN(C(=O)c1cc([O-])cs1)c1cnn(C)c1 ZINC000751070565 585223873 /nfs/dbraw/zinc/22/38/73/585223873.db2.gz KETSUAPQZRUHSB-UHFFFAOYSA-N -1 3 237.284 1.464 20 10 BDCDHM O=C(NC[C@@H](O)C1CCC1)c1cc([O-])cs1 ZINC000839790260 585342408 /nfs/dbraw/zinc/34/24/08/585342408.db2.gz PQLJUKRMVLWSLP-SECBINFHSA-N -1 3 241.312 1.345 20 10 BDCDHM C[C@H](NC(=O)c1cc([O-])cs1)c1cn[nH]c1 ZINC000757924533 585346862 /nfs/dbraw/zinc/34/68/62/585346862.db2.gz IJLLGUQUSHFNGW-LURJTMIESA-N -1 3 237.284 1.668 20 10 BDCDHM O=C(OC[C@H]1COC(=O)O1)c1cc([O-])cs1 ZINC000763973892 585457965 /nfs/dbraw/zinc/45/79/65/585457965.db2.gz VPXNLVKYFVCLNG-LURJTMIESA-N -1 3 244.224 1.146 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCC(CO)CC1 ZINC000765232513 585483077 /nfs/dbraw/zinc/48/30/77/585483077.db2.gz HJPYAIBUORWAGS-UHFFFAOYSA-N -1 3 241.312 1.298 20 10 BDCDHM C[C@@H](CO)COC(=O)c1cc([O-])cs1 ZINC000766713015 585506382 /nfs/dbraw/zinc/50/63/82/585506382.db2.gz LFGUMOJQOZHQCW-LURJTMIESA-N -1 3 216.258 1.239 20 10 BDCDHM C[C@H](O)CCCNC(=O)c1cc([O-])cs1 ZINC000791010060 585972141 /nfs/dbraw/zinc/97/21/41/585972141.db2.gz DXSNZAOMHGDYJS-ZETCQYMHSA-N -1 3 229.301 1.345 20 10 BDCDHM O=C(NC[C@H]1CCSC1)c1cc([O-])cs1 ZINC000791059547 585973580 /nfs/dbraw/zinc/97/35/80/585973580.db2.gz BYTRYXBUXKASBQ-SSDOTTSWSA-N -1 3 243.353 1.937 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CC[C@](F)(CO)C1 ZINC000802660580 586309112 /nfs/dbraw/zinc/30/91/12/586309112.db2.gz PPUVQTZCFVJHLU-GFCCVEGCSA-N -1 3 243.253 1.438 20 10 BDCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)CCC1=O ZINC000807276377 586431741 /nfs/dbraw/zinc/43/17/41/586431741.db2.gz WBQZNHBFITZAEN-SSDOTTSWSA-N -1 3 239.296 1.505 20 10 BDCDHM CC[C@@H]([NH2+]Cc1cccc(OC)c1[O-])C(=O)[O-] ZINC000818316707 586886126 /nfs/dbraw/zinc/88/61/26/586886126.db2.gz FWWZCAIYLYXGEM-SECBINFHSA-N -1 3 239.271 1.354 20 10 BDCDHM C/C(=C/C[N@@H+](C)Cc1ccccc1[O-])C(=O)[O-] ZINC000825729642 587333987 /nfs/dbraw/zinc/33/39/87/587333987.db2.gz JAUUHHGQXQKYNT-YFHOEESVSA-N -1 3 235.283 1.855 20 10 BDCDHM C/C(=C/C[N@H+](C)Cc1ccccc1[O-])C(=O)[O-] ZINC000825729642 587333989 /nfs/dbraw/zinc/33/39/89/587333989.db2.gz JAUUHHGQXQKYNT-YFHOEESVSA-N -1 3 235.283 1.855 20 10 BDCDHM CO[C@@H](CNC(=O)c1cc([O-])cs1)C(C)C ZINC000829415131 587496838 /nfs/dbraw/zinc/49/68/38/587496838.db2.gz KLQQJEIGBXFSEY-VIFPVBQESA-N -1 3 243.328 1.855 20 10 BDCDHM O=C(CNC(=O)c1cc([O-])cs1)C1CC1 ZINC000831591922 587622017 /nfs/dbraw/zinc/62/20/17/587622017.db2.gz CLPOWQDXGPFTAC-UHFFFAOYSA-N -1 3 225.269 1.163 20 10 BDCDHM CC[C@](C)(CCO)NC(=O)c1cc([O-])cs1 ZINC000831784132 587632102 /nfs/dbraw/zinc/63/21/02/587632102.db2.gz HSCYJMICEWIFRW-LLVKDONJSA-N -1 3 243.328 1.735 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCO[C@@H]2C[C@@H]21 ZINC000832634315 587671336 /nfs/dbraw/zinc/67/13/36/587671336.db2.gz NHVJPIWNNXPASS-JGVFFNPUSA-N -1 3 225.269 1.067 20 10 BDCDHM COC(=O)[C@@H](CC1CC1)NCc1ccccc1[O-] ZINC000840957717 587931541 /nfs/dbraw/zinc/93/15/41/587931541.db2.gz MPGJWBDCEAHKKJ-GFCCVEGCSA-N -1 3 249.310 1.824 20 10 BDCDHM CCS(=O)(=O)NCc1cc(Cl)ccc1[O-] ZINC000845995905 588252867 /nfs/dbraw/zinc/25/28/67/588252867.db2.gz IOUJXQGQVBNEQR-UHFFFAOYSA-N -1 3 249.719 1.485 20 10 BDCDHM CC(C)[C@@H](C[NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000848638665 588403415 /nfs/dbraw/zinc/40/34/15/588403415.db2.gz BJAGOYYPUOHAMJ-LLVKDONJSA-N -1 3 237.299 1.839 20 10 BDCDHM O=C([O-])[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000874047370 590087377 /nfs/dbraw/zinc/08/73/77/590087377.db2.gz WUDIGSNZALAUKE-AOOOYVTPSA-N -1 3 221.256 1.345 20 10 BDCDHM Cc1ccc(CN(C)CC(=O)NC2CC2)c([O-])c1 ZINC000876549885 590214579 /nfs/dbraw/zinc/21/45/79/590214579.db2.gz YHGHRYORCGHCQF-UHFFFAOYSA-N -1 3 248.326 1.411 20 10 BDCDHM Cc1ccc(CN2CCOC[C@H]2C)c([O-])c1 ZINC000876610851 590222162 /nfs/dbraw/zinc/22/21/62/590222162.db2.gz KEDJJIOIGAAZNH-LLVKDONJSA-N -1 3 221.300 1.921 20 10 BDCDHM Cc1ccc(CNCc2cocn2)c([O-])c1 ZINC000877046659 590274091 /nfs/dbraw/zinc/27/40/91/590274091.db2.gz ODRYBHLLEKJGAC-UHFFFAOYSA-N -1 3 218.256 1.978 20 10 BDCDHM Cc1ccc(CN2CC(=O)N(C)[C@H](C)C2)c([O-])c1 ZINC000877501971 590341167 /nfs/dbraw/zinc/34/11/67/590341167.db2.gz XFIPJWYSCWBMCK-LLVKDONJSA-N -1 3 248.326 1.363 20 10 BDCDHM Cn1ncc2c1CN(Cc1ccccc1[O-])C2 ZINC000877633043 590379272 /nfs/dbraw/zinc/37/92/72/590379272.db2.gz WYBCHDBRWMTSOQ-UHFFFAOYSA-N -1 3 229.283 1.642 20 10 BDCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])n[nH]1 ZINC000126646683 590392065 /nfs/dbraw/zinc/39/20/65/590392065.db2.gz GRHOLUNMYQSLJM-UHFFFAOYSA-N -1 3 233.227 1.382 20 10 BDCDHM [O-]c1cccc2c1CN(Cc1cocn1)C2 ZINC000877703029 590395617 /nfs/dbraw/zinc/39/56/17/590395617.db2.gz OXGJSFIGAZOREH-UHFFFAOYSA-N -1 3 216.240 1.896 20 10 BDCDHM Nc1ccc(CC(=O)[N-]OCC(F)(F)F)cc1 ZINC000135263352 592000154 /nfs/dbraw/zinc/00/01/54/592000154.db2.gz XIIXTEMFFIQXEW-UHFFFAOYSA-N -1 3 248.204 1.421 20 10 BDCDHM C[C@@H]1C(=O)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000885052247 592040645 /nfs/dbraw/zinc/04/06/45/592040645.db2.gz PKICPKYSHSYIGL-MRVPVSSYSA-N -1 3 249.266 1.291 20 10 BDCDHM Cc1ccoc1CNC(=O)c1cccc(O)c1[O-] ZINC000386829366 711036817 /nfs/dbraw/zinc/03/68/17/711036817.db2.gz QBDCDSBLQOUANX-UHFFFAOYSA-N -1 3 247.250 1.929 20 10 BDCDHM Cc1ncc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000395273064 711207431 /nfs/dbraw/zinc/20/74/31/711207431.db2.gz URGMFFAQKYMBQI-UHFFFAOYSA-N -1 3 245.238 1.449 20 10 BDCDHM C[C@@H]1CC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000309445875 711682423 /nfs/dbraw/zinc/68/24/23/711682423.db2.gz PLSKMDNDHXRABW-APPZFPTMSA-N -1 3 221.256 1.626 20 10 BDCDHM CN(Cc1cc(F)cc(F)c1[O-])[C@H]1CCOC1 ZINC000708412066 712193414 /nfs/dbraw/zinc/19/34/14/712193414.db2.gz FPCCBNMHOQHVPC-JTQLQIEISA-N -1 3 243.253 1.891 20 10 BDCDHM CC(C)(F)CCNC(=O)c1cccc(O)c1[O-] ZINC000710991796 712272876 /nfs/dbraw/zinc/27/28/76/712272876.db2.gz VSICLWDEOZFHQY-UHFFFAOYSA-N -1 3 241.262 1.966 20 10 BDCDHM CC1(O)CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232261228 965325144 /nfs/dbraw/zinc/32/51/44/965325144.db2.gz XHCQSXAVLNTMJB-UHFFFAOYSA-N -1 3 243.690 1.318 20 10 BDCDHM [O-]c1ccc(Cl)cc1CN1CC2(COC2)C1 ZINC001203648170 966719261 /nfs/dbraw/zinc/71/92/61/966719261.db2.gz FKGUOVJEDNKKDM-UHFFFAOYSA-N -1 3 239.702 1.878 20 10 BDCDHM COc1cccc([O-])c1C[NH2+][C@@H](C)CC(=O)[O-] ZINC001594131623 977515005 /nfs/dbraw/zinc/51/50/05/977515005.db2.gz HMUVHAOCEHPXNI-QMMMGPOBSA-N -1 3 239.271 1.354 20 10 BDCDHM C/C=C\C(=O)NCc1c([O-])cccc1F ZINC001156170293 963274988 /nfs/dbraw/zinc/27/49/88/963274988.db2.gz KEQJELQQHJMBIW-RQOWECAXSA-N -1 3 209.220 1.724 20 10 BDCDHM [O-]c1ccc(Cl)cc1CN1CC(F)(CO)C1 ZINC001203650960 966722431 /nfs/dbraw/zinc/72/24/31/966722431.db2.gz HKFUOFUGVCGOFF-UHFFFAOYSA-N -1 3 245.681 1.562 20 10 BDCDHM CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC001329425778 973767866 /nfs/dbraw/zinc/76/78/66/973767866.db2.gz AQZCHJXIVXAWLG-VIFPVBQESA-N -1 3 227.235 1.484 20 10 BDCDHM Cc1c(NC(=O)c2cccc(O)c2[O-])ncn1C ZINC001148212270 973814919 /nfs/dbraw/zinc/81/49/19/973814919.db2.gz UXRJBLGEWZITNY-UHFFFAOYSA-N -1 3 247.254 1.392 20 10 BDCDHM COCC[N@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447853 977591080 /nfs/dbraw/zinc/59/10/80/977591080.db2.gz XDIXHPAPHDCDPJ-UHFFFAOYSA-N -1 3 239.271 1.169 20 10 BDCDHM COCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447853 977591083 /nfs/dbraw/zinc/59/10/83/977591083.db2.gz XDIXHPAPHDCDPJ-UHFFFAOYSA-N -1 3 239.271 1.169 20 10 BDCDHM Cc1ccc(C[NH2+]CC(C)(C)C(=O)[O-])c([O-])c1 ZINC001600419688 978691741 /nfs/dbraw/zinc/69/17/41/978691741.db2.gz XQMPPWICGPDXRA-UHFFFAOYSA-N -1 3 237.299 1.901 20 10 BDCDHM O=C([O-])[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC001601795566 978850175 /nfs/dbraw/zinc/85/01/75/978850175.db2.gz CNSNRDZZSMMXHG-MWLCHTKSSA-N -1 3 235.283 1.735 20 10 BDCDHM COc1cc(C)c(C[NH2+]CCC(=O)[O-])c([O-])c1 ZINC001604695285 979705753 /nfs/dbraw/zinc/70/57/53/979705753.db2.gz IQBVSBTUOCPWKR-UHFFFAOYSA-N -1 3 239.271 1.274 20 10 BDCDHM Cc1cccc([O-])c1C[NH+]1CC(C(=O)[O-])C1 ZINC001605345101 979856654 /nfs/dbraw/zinc/85/66/54/979856654.db2.gz VJZAJFMPUJYAOE-UHFFFAOYSA-N -1 3 221.256 1.217 20 10 BDCDHM O=S(=O)(CC1CC1)Nc1ccc([O-])c(F)c1 ZINC000083140625 983606700 /nfs/dbraw/zinc/60/67/00/983606700.db2.gz UHISESOXOVFTTP-UHFFFAOYSA-N -1 3 245.275 1.683 20 10 BDCDHM O=C([O-])[C@@H](CC(F)F)[NH2+]Cc1ccccc1[O-] ZINC001119536583 989139066 /nfs/dbraw/zinc/13/90/66/989139066.db2.gz MYENRFDUUVUWHD-MRVPVSSYSA-N -1 3 245.225 1.590 20 10 BDCDHM [O-]c1cccc(F)c1CN1CC2(CC(O)C2)C1 ZINC001137831789 990855054 /nfs/dbraw/zinc/85/50/54/990855054.db2.gz NPRSZCCPIVWMMO-UHFFFAOYSA-N -1 3 237.274 1.488 20 10 BDCDHM [O-]c1c(F)cccc1CN1CC2(CC(O)C2)C1 ZINC001138122505 990884740 /nfs/dbraw/zinc/88/47/40/990884740.db2.gz JSJJORCSTAJTHP-UHFFFAOYSA-N -1 3 237.274 1.488 20 10 BDCDHM Cc1ncoc1CNC(=O)c1cccc(O)c1[O-] ZINC001558699908 990989221 /nfs/dbraw/zinc/98/92/21/990989221.db2.gz IXCOYZYAKMTLTL-UHFFFAOYSA-N -1 3 248.238 1.324 20 10 BDCDHM O=C1O[C@H]2C[C@@H]1N(Cc1cc(F)ccc1[O-])C2 ZINC001140059987 991507676 /nfs/dbraw/zinc/50/76/76/991507676.db2.gz FOHFNDINDCTHGZ-UWVGGRQHSA-N -1 3 237.230 1.031 20 10 BDCDHM [O-]c1ccc(F)cc1CN1C[C@@H](O)[C@@H](F)C1 ZINC001140057644 991510292 /nfs/dbraw/zinc/51/02/92/991510292.db2.gz JADNAZQINUZRTM-GXSJLCMTSA-N -1 3 229.226 1.046 20 10 BDCDHM CN(Cc1cnnn1C)Cc1ccccc1[O-] ZINC000091956508 398304189 /nfs/dbraw/zinc/30/41/89/398304189.db2.gz MKABZTVGDLTSBU-UHFFFAOYSA-N -1 3 232.287 1.153 20 10 BDCDHM [O-]c1ccccc1CN1CCOC[C@@]12CCOC2 ZINC000195009705 347439300 /nfs/dbraw/zinc/43/93/00/347439300.db2.gz LKXXWLYXCOJVOG-AWEZNQCLSA-N -1 3 249.310 1.384 20 10 BDCDHM [O-]c1c(F)cccc1CN1CC[C@H](O)C1 ZINC000272263825 188026708 /nfs/dbraw/zinc/02/67/08/188026708.db2.gz KKBCWEFNHSPQHC-VIFPVBQESA-N -1 3 211.236 1.098 20 10 BDCDHM [O-]c1ccccc1CN1CCOCC(F)(F)C1 ZINC000289996456 183302433 /nfs/dbraw/zinc/30/24/33/183302433.db2.gz CRPHWBJKNHSGIX-UHFFFAOYSA-N -1 3 243.253 1.860 20 10 BDCDHM C[C@@H](C(=O)NC1CC1)N(C)Cc1ccccc1[O-] ZINC000109773587 385189153 /nfs/dbraw/zinc/18/91/53/385189153.db2.gz JTSYZOGFPJUQEV-JTQLQIEISA-N -1 3 248.326 1.491 20 10 BDCDHM Cc1ccc(C(=O)NC2CC2)c([O-])c1O ZINC000177661113 385270503 /nfs/dbraw/zinc/27/05/03/385270503.db2.gz HKPMCLSTKVOLCZ-UHFFFAOYSA-N -1 3 207.229 1.298 20 10 BDCDHM CCCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000177661485 385272414 /nfs/dbraw/zinc/27/24/14/385272414.db2.gz WVWAJWYLPVZZJM-UHFFFAOYSA-N -1 3 223.272 1.936 20 10 BDCDHM COC(=O)[C@H](C)N(C)Cc1cc(F)ccc1[O-] ZINC000280820346 385608449 /nfs/dbraw/zinc/60/84/49/385608449.db2.gz JXZBUTCCOPJODI-QMMMGPOBSA-N -1 3 241.262 1.525 20 10 BDCDHM CN(Cc1cnn(C)n1)Cc1ccccc1[O-] ZINC000289396437 386296018 /nfs/dbraw/zinc/29/60/18/386296018.db2.gz RUGCFOYFMRNXKP-UHFFFAOYSA-N -1 3 232.287 1.153 20 10 BDCDHM C[C@@H]1c2nncn2CCN1Cc1ccccc1[O-] ZINC000276872862 386386353 /nfs/dbraw/zinc/38/63/53/386386353.db2.gz YRDCPAGYAUAMSA-SNVBAGLBSA-N -1 3 244.298 1.561 20 10 BDCDHM CC[C@@H](C)N(OC)C(=O)c1cccc(O)c1[O-] ZINC000279828567 386742619 /nfs/dbraw/zinc/74/26/19/386742619.db2.gz MYCMFVWNMYZUNW-MRVPVSSYSA-N -1 3 239.271 1.900 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1C[C@H]2CC[C@@H](C1)O2 ZINC000126467292 387682511 /nfs/dbraw/zinc/68/25/11/387682511.db2.gz JRQBIJJMDIQAPD-DTORHVGOSA-N -1 3 249.266 1.101 20 10 BDCDHM C[C@H](O)CN(C)Cc1c([O-])cccc1Cl ZINC000291119794 398089551 /nfs/dbraw/zinc/08/95/51/398089551.db2.gz UTUQNQQEQUKVDO-QMMMGPOBSA-N -1 3 229.707 1.858 20 10 BDCDHM CC1=CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000167731512 168108983 /nfs/dbraw/zinc/10/89/83/168108983.db2.gz SIWCGPOOWDFWTH-UHFFFAOYSA-N -1 3 233.267 1.890 20 10 BDCDHM CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126189067 168176047 /nfs/dbraw/zinc/17/60/47/168176047.db2.gz UWDFQTOVCSRNLP-UHFFFAOYSA-N -1 3 235.283 1.970 20 10 BDCDHM CCOC(=O)[C@H](C)N[C@H](C)c1ccccc1[O-] ZINC000049368738 170268523 /nfs/dbraw/zinc/26/85/23/170268523.db2.gz HRXSUWAXZYXWAL-ZJUUUORDSA-N -1 3 237.299 1.994 20 10 BDCDHM CCn1cnnc1CN[C@H](C)c1ccccc1[O-] ZINC000228791327 172236774 /nfs/dbraw/zinc/23/67/74/172236774.db2.gz YBTYOYYAPVLCOZ-SNVBAGLBSA-N -1 3 246.314 1.854 20 10 BDCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000179897348 176301828 /nfs/dbraw/zinc/30/18/28/176301828.db2.gz WCYFXCKNUQWBBP-SECBINFHSA-N -1 3 225.263 1.752 20 10 BDCDHM C[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000179897364 177261068 /nfs/dbraw/zinc/26/10/68/177261068.db2.gz WCYFXCKNUQWBBP-VIFPVBQESA-N -1 3 225.263 1.752 20 10 BDCDHM [O-]c1c(F)cc(F)cc1CN(CCO)C1CC1 ZINC000893944034 583256539 /nfs/dbraw/zinc/25/65/39/583256539.db2.gz NHRQWXKTDJDBJR-UHFFFAOYSA-N -1 3 243.253 1.627 20 10 BDCDHM COCC1(N(C)C(=O)c2cc([O-])cs2)CC1 ZINC000855339388 588828385 /nfs/dbraw/zinc/82/83/85/588828385.db2.gz JBUGNRCLYVAQEU-UHFFFAOYSA-N -1 3 241.312 1.705 20 10 BDCDHM C[C@@H](O)C1(NC(=O)c2cc([O-])cs2)CC1 ZINC000856129501 588861882 /nfs/dbraw/zinc/86/18/82/588861882.db2.gz YWRFOCLGXXHHNH-ZCFIWIBFSA-N -1 3 227.285 1.097 20 10 BDCDHM Cc1ccc(CNCc2cnn(C)n2)c([O-])c1 ZINC000877523291 583323073 /nfs/dbraw/zinc/32/30/73/583323073.db2.gz KJWMRQNJJJKABO-UHFFFAOYSA-N -1 3 232.287 1.119 20 10 BDCDHM Cc1nonc1CNCc1ccc(C)cc1[O-] ZINC000877527589 583323551 /nfs/dbraw/zinc/32/35/51/583323551.db2.gz TXNPUJFYGTWESO-UHFFFAOYSA-N -1 3 233.271 1.682 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CCc2n[nH]cc2C1 ZINC000857876531 588918678 /nfs/dbraw/zinc/91/86/78/588918678.db2.gz RYLGMBLQZFMJPY-UHFFFAOYSA-N -1 3 247.273 1.813 20 10 BDCDHM [O-]c1ccccc1CN1CC[C@H](O)[C@H](F)C1 ZINC000898194190 584096061 /nfs/dbraw/zinc/09/60/61/584096061.db2.gz WAHARMHFQCRCCP-PWSUYJOCSA-N -1 3 225.263 1.297 20 10 BDCDHM O=C(CCO)NCc1cc(Cl)ccc1[O-] ZINC000902951578 584704213 /nfs/dbraw/zinc/70/42/13/584704213.db2.gz YLILDUBZDOTTTA-UHFFFAOYSA-N -1 3 229.663 1.044 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCSCC1 ZINC000731871373 584930122 /nfs/dbraw/zinc/93/01/22/584930122.db2.gz DXYZCFLWSLYNIG-UHFFFAOYSA-N -1 3 229.326 1.643 20 10 BDCDHM Cc1noc(CNC(=O)c2cc([O-])cs2)n1 ZINC000732276139 584935272 /nfs/dbraw/zinc/93/52/72/584935272.db2.gz SSGJTAVCXFEJPR-UHFFFAOYSA-N -1 3 239.256 1.075 20 10 BDCDHM Cn1cc(NC(=O)c2cc([O-])cs2)cn1 ZINC000732271682 584935439 /nfs/dbraw/zinc/93/54/39/584935439.db2.gz OPPQRRIKHQXFHB-UHFFFAOYSA-N -1 3 223.257 1.440 20 10 BDCDHM CCc1cc(NC(=O)c2cc([O-])cs2)n[nH]1 ZINC000732277850 584935719 /nfs/dbraw/zinc/93/57/19/584935719.db2.gz UKALCQKJJPSLFQ-UHFFFAOYSA-N -1 3 237.284 1.992 20 10 BDCDHM CO[C@H](C)CCNC(=O)c1cc([O-])cs1 ZINC000732282018 584935891 /nfs/dbraw/zinc/93/58/91/584935891.db2.gz HHWMZLNBMQCHGF-SSDOTTSWSA-N -1 3 229.301 1.609 20 10 BDCDHM CC(C)[C@@H](OC(=O)c1cc([O-])cs1)C(N)=O ZINC000732353827 584936119 /nfs/dbraw/zinc/93/61/19/584936119.db2.gz ASLGYWFMNKMKDP-MRVPVSSYSA-N -1 3 243.284 1.120 20 10 BDCDHM CN(Cc1ncc[nH]1)C(=O)c1cc([O-])cs1 ZINC000734865411 584969157 /nfs/dbraw/zinc/96/91/57/584969157.db2.gz RXFLHQZZHMLYNV-UHFFFAOYSA-N -1 3 237.284 1.449 20 10 BDCDHM CCn1ncc(CN(C)Cc2ccccc2[O-])n1 ZINC000838800149 585069183 /nfs/dbraw/zinc/06/91/83/585069183.db2.gz QSZWMPYBYBKOHA-UHFFFAOYSA-N -1 3 246.314 1.636 20 10 BDCDHM O=C(OCc1ccon1)c1cc([O-])cs1 ZINC000745002477 585155305 /nfs/dbraw/zinc/15/53/05/585155305.db2.gz KMYXLPCUEUFJBT-UHFFFAOYSA-N -1 3 225.225 1.799 20 10 BDCDHM C[C@@H](CO)[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000757909144 585346765 /nfs/dbraw/zinc/34/67/65/585346765.db2.gz SFRMPHVDTJQVTP-NKWVEPMBSA-N -1 3 229.301 1.200 20 10 BDCDHM O=C(N[C@@H]1CCC[C@H]1O)c1cc([O-])cs1 ZINC000839791548 585371497 /nfs/dbraw/zinc/37/14/97/585371497.db2.gz CNMUXIAJAORZAT-HTQZYQBOSA-N -1 3 227.285 1.097 20 10 BDCDHM COc1cccc([O-])c1CN1CCO[C@H](C)C1 ZINC000768231537 585534490 /nfs/dbraw/zinc/53/44/90/585534490.db2.gz VTAIWLXNIMUJAH-SNVBAGLBSA-N -1 3 237.299 1.622 20 10 BDCDHM C/C=C\C[C@@H](CO)NC(=O)c1cc([O-])cs1 ZINC000771742215 585599347 /nfs/dbraw/zinc/59/93/47/585599347.db2.gz BJQNXRDKYYSTNT-KZUAUGPASA-N -1 3 241.312 1.511 20 10 BDCDHM O=C(OCCn1ccnc1)c1cc([O-])cs1 ZINC000771957398 585605386 /nfs/dbraw/zinc/60/53/86/585605386.db2.gz HKEIRFUUKDBSAI-UHFFFAOYSA-N -1 3 238.268 1.507 20 10 BDCDHM CCOCC(=O)COC(=O)c1cc([O-])cs1 ZINC000777053321 585707669 /nfs/dbraw/zinc/70/76/69/585707669.db2.gz GUGVQBJHZVHEEZ-UHFFFAOYSA-N -1 3 244.268 1.216 20 10 BDCDHM CN(Cc1cn[nH]c1)Cc1cc(F)ccc1[O-] ZINC000779020512 585744135 /nfs/dbraw/zinc/74/41/35/585744135.db2.gz MPWVITOWIPBUDD-UHFFFAOYSA-N -1 3 235.262 1.886 20 10 BDCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)CC[C@@H]1O ZINC000779462837 585755493 /nfs/dbraw/zinc/75/54/93/585755493.db2.gz VYIVQOKOTYPAQJ-APPZFPTMSA-N -1 3 241.312 1.297 20 10 BDCDHM O=C(N[C@H]1CC[C@H](O)CC1)c1cc([O-])cs1 ZINC000781960740 585805994 /nfs/dbraw/zinc/80/59/94/585805994.db2.gz NUQVVAOYZJTCJK-ZKCHVHJHSA-N -1 3 241.312 1.487 20 10 BDCDHM C[C@H](NCc1ccccc1[O-])c1ncnn1C ZINC000788971523 585932663 /nfs/dbraw/zinc/93/26/63/585932663.db2.gz KKPGNEZLROVCFV-VIFPVBQESA-N -1 3 232.287 1.372 20 10 BDCDHM [O-]c1ccc(F)cc1C[NH2+]Cc1ncccc1[O-] ZINC000793259467 586015351 /nfs/dbraw/zinc/01/53/51/586015351.db2.gz SWJSCVIWJZVUGE-UHFFFAOYSA-N -1 3 248.257 1.922 20 10 BDCDHM CC1(C(=O)COC(=O)c2cc([O-])cs2)CC1 ZINC000795507003 586082131 /nfs/dbraw/zinc/08/21/31/586082131.db2.gz RNJRASYAIVNUIQ-UHFFFAOYSA-N -1 3 240.280 1.980 20 10 BDCDHM CO[C@H](C)[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000812349773 586574584 /nfs/dbraw/zinc/57/45/84/586574584.db2.gz SNAYXMMVAOVXOZ-RNFRBKRXSA-N -1 3 229.301 1.607 20 10 BDCDHM Cc1ccc(C(=O)N2CCO[C@H]3C[C@H]32)c([O-])c1O ZINC000816901421 586770178 /nfs/dbraw/zinc/77/01/78/586770178.db2.gz LQFKTCLNXCDHGP-ZJUUUORDSA-N -1 3 249.266 1.020 20 10 BDCDHM COc1cccc([O-])c1C[NH2+]CCCC(=O)[O-] ZINC000818622655 586908100 /nfs/dbraw/zinc/90/81/00/586908100.db2.gz SDHVIQCRFSOILO-UHFFFAOYSA-N -1 3 239.271 1.355 20 10 BDCDHM Cc1cc([O-])c(C[N@@H+](C)[C@H](C)C(=O)[O-])cc1C ZINC000818849176 586914096 /nfs/dbraw/zinc/91/40/96/586914096.db2.gz BMASBOYEXBGFGK-SNVBAGLBSA-N -1 3 237.299 1.914 20 10 BDCDHM Cc1cc([O-])c(C[N@H+](C)[C@H](C)C(=O)[O-])cc1C ZINC000818849176 586914097 /nfs/dbraw/zinc/91/40/97/586914097.db2.gz BMASBOYEXBGFGK-SNVBAGLBSA-N -1 3 237.299 1.914 20 10 BDCDHM CC[C@@H]([NH2+]Cc1cc(OC)ccc1[O-])C(=O)[O-] ZINC000820419284 587047567 /nfs/dbraw/zinc/04/75/67/587047567.db2.gz URGDZOUGHISHOW-SNVBAGLBSA-N -1 3 239.271 1.354 20 10 BDCDHM Cc1cc([O-])c(CN(C)CC(N)=O)cc1Cl ZINC000824556554 587276344 /nfs/dbraw/zinc/27/63/44/587276344.db2.gz YIBQFMUYLGJMTR-UHFFFAOYSA-N -1 3 242.706 1.271 20 10 BDCDHM C[C@H](O)CN(Cc1ccccc1[O-])CC(F)F ZINC000825098701 587303944 /nfs/dbraw/zinc/30/39/44/587303944.db2.gz MMNDIWHGXMCKJT-VIFPVBQESA-N -1 3 245.269 1.840 20 10 BDCDHM CN(Cc1c[nH]cn1)Cc1cc(F)ccc1[O-] ZINC000826768525 587361547 /nfs/dbraw/zinc/36/15/47/587361547.db2.gz BMFJVVOSZOQHNZ-UHFFFAOYSA-N -1 3 235.262 1.886 20 10 BDCDHM COC(=O)C[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000829715042 587511223 /nfs/dbraw/zinc/51/12/23/587511223.db2.gz RHZCZGLGTLUALW-ZCFIWIBFSA-N -1 3 243.284 1.135 20 10 BDCDHM C[C@@H](F)CCNC(=O)c1cc([O-])cs1 ZINC000832884402 587694038 /nfs/dbraw/zinc/69/40/38/587694038.db2.gz RTZQREGGGUZHKR-ZCFIWIBFSA-N -1 3 217.265 1.932 20 10 BDCDHM C[C@@H](CCO)CCNC(=O)c1cc([O-])cs1 ZINC000833221149 587702921 /nfs/dbraw/zinc/70/29/21/587702921.db2.gz DRHXKIJRXFXEOT-MRVPVSSYSA-N -1 3 243.328 1.592 20 10 BDCDHM Cc1ccc(C(=O)N2CC[C@H](F)C2)c([O-])c1O ZINC000836821142 587838630 /nfs/dbraw/zinc/83/86/30/587838630.db2.gz VPBZPUAQZRHZKA-QMMMGPOBSA-N -1 3 239.246 1.590 20 10 BDCDHM Cc1ccc(C(=O)N2CC[C@@H](F)C2)c([O-])c1O ZINC000836821931 587838891 /nfs/dbraw/zinc/83/88/91/587838891.db2.gz VPBZPUAQZRHZKA-MRVPVSSYSA-N -1 3 239.246 1.590 20 10 BDCDHM CCn1ncc(CN[C@H](C)c2ccccc2[O-])n1 ZINC000845989528 588252608 /nfs/dbraw/zinc/25/26/08/588252608.db2.gz JATQKVNTKVMQQR-SNVBAGLBSA-N -1 3 246.314 1.854 20 10 BDCDHM C[C@H](O)CCOC(=O)c1cc([O-])cs1 ZINC000849728654 588490628 /nfs/dbraw/zinc/49/06/28/588490628.db2.gz WNAXZDRNCXGHQD-LURJTMIESA-N -1 3 216.258 1.381 20 10 BDCDHM COC[C@@H](COC(=O)c1cc([O-])cs1)OC ZINC000849728453 588490769 /nfs/dbraw/zinc/49/07/69/588490769.db2.gz SHGXTERDWGKYDS-QMMMGPOBSA-N -1 3 246.284 1.272 20 10 BDCDHM O=C(N[C@H]1CCC[C@@H]1O)c1cc([O-])cs1 ZINC000871113057 589728437 /nfs/dbraw/zinc/72/84/37/589728437.db2.gz CNMUXIAJAORZAT-YUMQZZPRSA-N -1 3 227.285 1.097 20 10 BDCDHM CC(=O)N1CCN(Cc2ccc(C)cc2[O-])CC1 ZINC000876526352 590208435 /nfs/dbraw/zinc/20/84/35/590208435.db2.gz XYCHOGCKRPBNNE-UHFFFAOYSA-N -1 3 248.326 1.365 20 10 BDCDHM Cc1cc(CNC(=O)c2cccc(O)c2[O-])no1 ZINC000126356308 590287411 /nfs/dbraw/zinc/28/74/11/590287411.db2.gz YLQADULGTBUGEJ-UHFFFAOYSA-N -1 3 248.238 1.324 20 10 BDCDHM C[C@H]1C[C@H](O)CN1Cc1ccc(F)c(F)c1[O-] ZINC000877467643 590334281 /nfs/dbraw/zinc/33/42/81/590334281.db2.gz LNBVZBAUVHKQJK-CBAPKCEASA-N -1 3 243.253 1.626 20 10 BDCDHM CCOC1CN(Cc2ccc(C)cc2[O-])C1 ZINC000877580798 590365972 /nfs/dbraw/zinc/36/59/72/590365972.db2.gz YPFBEPIOPLNXSG-UHFFFAOYSA-N -1 3 221.300 1.921 20 10 BDCDHM Cc1cc(CN2Cc3cccc([O-])c3C2)nn1C ZINC000877703215 590396717 /nfs/dbraw/zinc/39/67/17/590396717.db2.gz WKDGPYAHECOMOJ-UHFFFAOYSA-N -1 3 243.310 1.950 20 10 BDCDHM COC(=O)[C@H](N[C@H](C)c1ccccc1[O-])C1CC1 ZINC000879649592 590841826 /nfs/dbraw/zinc/84/18/26/590841826.db2.gz WYSNYYPVYGJVGW-NOZJJQNGSA-N -1 3 249.310 1.994 20 10 BDCDHM COC[C@H]1C[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000882100131 591298048 /nfs/dbraw/zinc/29/80/48/591298048.db2.gz CJFGRRBBNVOTGL-OCAPTIKFSA-N -1 3 241.312 1.609 20 10 BDCDHM CCO[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000885332074 592068691 /nfs/dbraw/zinc/06/86/91/592068691.db2.gz DOSSQHYSQKTEIR-VIFPVBQESA-N -1 3 241.312 1.705 20 10 BDCDHM O=C(NCC(F)(F)F)c1cccc(O)c1[O-] ZINC000163268699 636346315 /nfs/dbraw/zinc/34/63/15/636346315.db2.gz NVRMJNLEUQXZNV-UHFFFAOYSA-N -1 3 235.161 1.390 20 10 BDCDHM CC(C)NC(=O)NCc1c([O-])cccc1F ZINC000905147433 637656700 /nfs/dbraw/zinc/65/67/00/637656700.db2.gz HKSAYEDSZWTWHO-UHFFFAOYSA-N -1 3 226.251 1.739 20 10 BDCDHM CC1(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000229413091 640953896 /nfs/dbraw/zinc/95/38/96/640953896.db2.gz NZWLIBNBBKJGPA-UHFFFAOYSA-N -1 3 221.256 1.628 20 10 BDCDHM Cc1ccc(C(=O)N2CCCCO2)c([O-])c1O ZINC000189644428 641816233 /nfs/dbraw/zinc/81/62/33/641816233.db2.gz LPNVOOVBXGVWTE-UHFFFAOYSA-N -1 3 237.255 1.574 20 10 BDCDHM C[C@@H](F)CCNC(=O)c1cccc(O)c1[O-] ZINC000705221712 712124706 /nfs/dbraw/zinc/12/47/06/712124706.db2.gz HSRJUMAZXZZNGF-SSDOTTSWSA-N -1 3 227.235 1.576 20 10 BDCDHM [O-]c1ccc(F)c(F)c1CN1CCC(O)CC1 ZINC001233331577 978559826 /nfs/dbraw/zinc/55/98/26/978559826.db2.gz CAFZLYJHCIPHRT-UHFFFAOYSA-N -1 3 243.253 1.627 20 10 BDCDHM C[C@H]([NH2+]CCOCC(=O)[O-])c1ccccc1[O-] ZINC001589128190 982615423 /nfs/dbraw/zinc/61/54/23/982615423.db2.gz BTOYNRZQVHJEPA-VIFPVBQESA-N -1 3 239.271 1.144 20 10 BDCDHM C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)[O-] ZINC000049353277 948911359 /nfs/dbraw/zinc/91/13/59/948911359.db2.gz APSSINNZPFUMQH-HTQZYQBOSA-N -1 3 209.245 1.516 20 10 BDCDHM [O-]c1c(F)cc(F)cc1CNCc1ncc[nH]1 ZINC000708437293 959435534 /nfs/dbraw/zinc/43/55/34/959435534.db2.gz QSTNYEOQGPVONR-UHFFFAOYSA-N -1 3 239.225 1.683 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]2C[C@@H]2C1 ZINC000699172572 965798488 /nfs/dbraw/zinc/79/84/88/965798488.db2.gz JUTQLVFGCSXLKO-RKDXNWHRSA-N -1 3 233.267 1.580 20 10 BDCDHM [O-]c1c(O)c(O)ccc1-c1nnc(C2CC2)o1 ZINC001254047766 969454518 /nfs/dbraw/zinc/45/45/18/969454518.db2.gz CGSDSKVXWNFHFR-UHFFFAOYSA-N -1 3 234.211 1.731 20 10 BDCDHM C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CO1 ZINC000401487455 970696922 /nfs/dbraw/zinc/69/69/22/970696922.db2.gz XZWHEORVCJOKKG-SFYZADRCSA-N -1 3 237.255 1.005 20 10 BDCDHM CC(=O)[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC001148218772 973811732 /nfs/dbraw/zinc/81/17/32/973811732.db2.gz KSHHOPTXJYMTIX-JTQLQIEISA-N -1 3 249.266 1.291 20 10 BDCDHM CC(C)[C@H](C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581775 973867750 /nfs/dbraw/zinc/86/77/50/973867750.db2.gz VUOQHZFCEMWUAL-ZETCQYMHSA-N -1 3 239.271 1.578 20 10 BDCDHM COc1cccc([O-])c1C[NH2+][C@H](C)CC(=O)[O-] ZINC001594131622 977518565 /nfs/dbraw/zinc/51/85/65/977518565.db2.gz HMUVHAOCEHPXNI-MRVPVSSYSA-N -1 3 239.271 1.354 20 10 BDCDHM Cc1cccc([O-])c1C[NH2+]C1CC(C(=O)[O-])C1 ZINC001600543186 978699984 /nfs/dbraw/zinc/69/99/84/978699984.db2.gz MVLXBHFHPGCWIU-UHFFFAOYSA-N -1 3 235.283 1.653 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)NC1CC1 ZINC001339381685 978844525 /nfs/dbraw/zinc/84/45/25/978844525.db2.gz PWSHIBNMBRDTEV-UHFFFAOYSA-N -1 3 224.235 1.493 20 10 BDCDHM [O-]c1c(F)cccc1CN1CC[C@H](F)[C@H](O)C1 ZINC001138122393 984801094 /nfs/dbraw/zinc/80/10/94/984801094.db2.gz BNEIMWQWYSUEOB-GXSJLCMTSA-N -1 3 243.253 1.436 20 10 BDCDHM O=C(Cn1cccn1)NCc1c([O-])cccc1F ZINC001471974831 987151430 /nfs/dbraw/zinc/15/14/30/987151430.db2.gz LLKDHMFXFXVACN-UHFFFAOYSA-N -1 3 249.245 1.044 20 10 BDCDHM C[C@@H]1C[C@H]1c1nnc(-c2ccc(O)c(O)c2[O-])o1 ZINC001256627402 987250282 /nfs/dbraw/zinc/25/02/82/987250282.db2.gz WVGXMYIJAJUCOU-IYSWYEEDSA-N -1 3 248.238 1.977 20 10 BDCDHM [O-]c1cccc(F)c1CN1CC[C@H](F)[C@H](O)C1 ZINC001137831504 990854500 /nfs/dbraw/zinc/85/45/00/990854500.db2.gz CAHWFUCTTCCTKP-CMPLNLGQSA-N -1 3 243.253 1.436 20 10 BDCDHM [O-]c1cccc(Cl)c1CN1CC(O)C1 ZINC001140338181 991611127 /nfs/dbraw/zinc/61/11/27/991611127.db2.gz YRFKFWFUAIBBDV-UHFFFAOYSA-N -1 3 213.664 1.222 20 10 BDCDHM COC(=O)[C@H](C)NCc1c([O-])cccc1Cl ZINC000127283526 398339581 /nfs/dbraw/zinc/33/95/81/398339581.db2.gz JAHYFRZSLKQRHK-ZETCQYMHSA-N -1 3 243.690 1.697 20 10 BDCDHM [O-]c1ccccc1CN1CCO[C@H]2C[C@H]21 ZINC000366559592 183301824 /nfs/dbraw/zinc/30/18/24/183301824.db2.gz NUPSZDVLXJSIMU-PWSUYJOCSA-N -1 3 205.257 1.365 20 10 BDCDHM CN(Cc1cnn(C)c1)Cc1ccccc1[O-] ZINC000111235163 383842776 /nfs/dbraw/zinc/84/27/76/383842776.db2.gz DFQOQQMVQOVKRU-UHFFFAOYSA-N -1 3 231.299 1.758 20 10 BDCDHM Cn1ccnc1CNCc1ccccc1[O-] ZINC000070797619 384137453 /nfs/dbraw/zinc/13/74/53/384137453.db2.gz BOJIQHAXPMYRSH-UHFFFAOYSA-N -1 3 217.272 1.416 20 10 BDCDHM C[C@H](NCC(F)(F)CO)c1cc(F)ccc1[O-] ZINC000184712898 384640277 /nfs/dbraw/zinc/64/02/77/384640277.db2.gz JMPURMLBWYHDOE-ZETCQYMHSA-N -1 3 249.232 1.810 20 10 BDCDHM Cc1ccc(C(=O)N[C@@H](C)C2CC2)c([O-])c1O ZINC000179414007 385465461 /nfs/dbraw/zinc/46/54/61/385465461.db2.gz AFFQTZYRMKZWBM-QMMMGPOBSA-N -1 3 235.283 1.935 20 10 BDCDHM COC(=O)[C@H]1CCCN1Cc1ccccc1[O-] ZINC000179555447 385474404 /nfs/dbraw/zinc/47/44/04/385474404.db2.gz WEYDOZLTJBTVCL-LLVKDONJSA-N -1 3 235.283 1.530 20 10 BDCDHM CCC[C@@H]1C(=O)NCCN1Cc1ccccc1[O-] ZINC000179582459 385475599 /nfs/dbraw/zinc/47/55/99/385475599.db2.gz KRJZDHBXPKSMSC-GFCCVEGCSA-N -1 3 248.326 1.493 20 10 BDCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCCF)c1 ZINC000280975899 385621661 /nfs/dbraw/zinc/62/16/61/385621661.db2.gz ISVRMRVCRVVYRI-MRVPVSSYSA-N -1 3 241.262 1.799 20 10 BDCDHM O=C1CN(Cc2ccccc2[O-])CN1C1CC1 ZINC000280353186 386807466 /nfs/dbraw/zinc/80/74/66/386807466.db2.gz BZRROWJLWYNSOY-UHFFFAOYSA-N -1 3 232.283 1.156 20 10 BDCDHM CN(CCF)C(=O)c1cccc(O)c1[O-] ZINC000293796891 386881488 /nfs/dbraw/zinc/88/14/88/386881488.db2.gz DARMEPUAWWNNJF-UHFFFAOYSA-N -1 3 213.208 1.139 20 10 BDCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H]1C ZINC000193127124 387156438 /nfs/dbraw/zinc/15/64/38/387156438.db2.gz XUBKEMNLZXOFHM-BDAKNGLRSA-N -1 3 235.283 1.968 20 10 BDCDHM CCOC1CN(Cc2ccccc2[O-])C1 ZINC000297492942 170336514 /nfs/dbraw/zinc/33/65/14/170336514.db2.gz UEXXUYMYCZVBED-UHFFFAOYSA-N -1 3 207.273 1.613 20 10 BDCDHM CC[C@H](C)CONC(=O)c1cccc(O)c1[O-] ZINC000293675720 171290477 /nfs/dbraw/zinc/29/04/77/171290477.db2.gz IYLYAOBSFZHROZ-QMMMGPOBSA-N -1 3 239.271 1.805 20 10 BDCDHM CN(C)C(=O)CNCc1c([O-])cccc1Cl ZINC000083551481 172370100 /nfs/dbraw/zinc/37/01/00/172370100.db2.gz TZLAPDIPSIBHOV-UHFFFAOYSA-N -1 3 242.706 1.223 20 10 BDCDHM C[C@@H]1C[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000163277009 176395912 /nfs/dbraw/zinc/39/59/12/176395912.db2.gz JMIGHOVMOIZQLV-HTQZYQBOSA-N -1 3 221.256 1.484 20 10 BDCDHM CC(=O)N1CCN(Cc2ccccc2[O-])CC1 ZINC000084857710 519587880 /nfs/dbraw/zinc/58/78/80/519587880.db2.gz GSICHAZTBDNJIK-UHFFFAOYSA-N -1 3 234.299 1.056 20 10 BDCDHM [O-]c1ccccc1CN1CCc2n[nH]cc2C1 ZINC000857876313 588919079 /nfs/dbraw/zinc/91/90/79/588919079.db2.gz CFNDODZHVLUDFD-UHFFFAOYSA-N -1 3 229.283 1.674 20 10 BDCDHM CO[C@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000895968590 583755462 /nfs/dbraw/zinc/75/54/62/583755462.db2.gz DPEFHLMSTUJIBK-GFCCVEGCSA-N -1 3 223.272 1.197 20 10 BDCDHM Cn1ccc(CNCc2c([O-])cccc2F)n1 ZINC000896639303 583819819 /nfs/dbraw/zinc/81/98/19/583819819.db2.gz CYKVTZVXCIIIOB-UHFFFAOYSA-N -1 3 235.262 1.555 20 10 BDCDHM Cc1cc([O-])c(CN[C@H]2CNOC2)c(Cl)c1 ZINC000904424463 584881208 /nfs/dbraw/zinc/88/12/08/584881208.db2.gz SYULZYMQWNQUES-QMMMGPOBSA-N -1 3 242.706 1.347 20 10 BDCDHM [O-]c1cccc(Cl)c1CN[C@@H]1CNOC1 ZINC000904421802 584882514 /nfs/dbraw/zinc/88/25/14/584882514.db2.gz SDVKPNKHOYKETB-SSDOTTSWSA-N -1 3 228.679 1.039 20 10 BDCDHM Cc1cc(CNC(=O)c2cc([O-])cs2)no1 ZINC000731872093 584929979 /nfs/dbraw/zinc/92/99/79/584929979.db2.gz YFESRTJJEDXEIL-UHFFFAOYSA-N -1 3 238.268 1.680 20 10 BDCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)CCO1 ZINC000731865033 584930092 /nfs/dbraw/zinc/93/00/92/584930092.db2.gz IIQYYPNUGKBKJS-ZETCQYMHSA-N -1 3 227.285 1.315 20 10 BDCDHM Cc1cc(CNC(=O)c2cc([O-])cs2)on1 ZINC000731871192 584930144 /nfs/dbraw/zinc/93/01/44/584930144.db2.gz FNBWDIISDLAQFN-UHFFFAOYSA-N -1 3 238.268 1.680 20 10 BDCDHM O=C(NCC[C@H]1CCCO1)c1cc([O-])cs1 ZINC000731867367 584930689 /nfs/dbraw/zinc/93/06/89/584930689.db2.gz HSWMNXZWVQQZOI-SECBINFHSA-N -1 3 241.312 1.753 20 10 BDCDHM O=C(NCC1CCC1)c1cc([O-])cs1 ZINC000732271885 584935237 /nfs/dbraw/zinc/93/52/37/584935237.db2.gz YBALNWUVZTZPEC-UHFFFAOYSA-N -1 3 211.286 1.984 20 10 BDCDHM COC[C@@H](C)CNC(=O)c1cc([O-])cs1 ZINC000732277621 584935641 /nfs/dbraw/zinc/93/56/41/584935641.db2.gz OXOKCZCCCGNVTQ-ZETCQYMHSA-N -1 3 229.301 1.466 20 10 BDCDHM O=C(OC[C@H]1CCOC1)c1cc([O-])cs1 ZINC000732354837 584936253 /nfs/dbraw/zinc/93/62/53/584936253.db2.gz SVHDDJAWZRNHME-ZETCQYMHSA-N -1 3 228.269 1.647 20 10 BDCDHM Cc1nc(CNC(=O)c2cc([O-])cs2)no1 ZINC000743415698 585136534 /nfs/dbraw/zinc/13/65/34/585136534.db2.gz JLDXVXYAJWVWJJ-UHFFFAOYSA-N -1 3 239.256 1.075 20 10 BDCDHM COC[C@@H](NC(=O)c1cc([O-])cs1)C(C)C ZINC000743623054 585138445 /nfs/dbraw/zinc/13/84/45/585138445.db2.gz VIWCVHPICCSUNG-SECBINFHSA-N -1 3 243.328 1.855 20 10 BDCDHM CC(C)(CCO)CNC(=O)c1cc([O-])cs1 ZINC000746290441 585167216 /nfs/dbraw/zinc/16/72/16/585167216.db2.gz LLJBJWQIUTWBON-UHFFFAOYSA-N -1 3 243.328 1.592 20 10 BDCDHM CC[C@H](CCO)NC(=O)c1cc([O-])cs1 ZINC000760178295 585386231 /nfs/dbraw/zinc/38/62/31/585386231.db2.gz RWRRTYJTDQOZMR-SSDOTTSWSA-N -1 3 229.301 1.345 20 10 BDCDHM CN(C[C@H](O)C1CC1)C(=O)c1cc([O-])cs1 ZINC000760805998 585397667 /nfs/dbraw/zinc/39/76/67/585397667.db2.gz VYTVRYGLKKVZNH-VIFPVBQESA-N -1 3 241.312 1.297 20 10 BDCDHM C[C@H](CO)CCCNC(=O)c1cc([O-])cs1 ZINC000760834151 585398635 /nfs/dbraw/zinc/39/86/35/585398635.db2.gz MGWBFYLBKKLYMP-QMMMGPOBSA-N -1 3 243.328 1.592 20 10 BDCDHM O=C(NC1CC(F)(F)C1)c1cc([O-])cs1 ZINC000760920265 585401693 /nfs/dbraw/zinc/40/16/93/585401693.db2.gz JIDDFRUXTQHTTA-UHFFFAOYSA-N -1 3 233.239 1.981 20 10 BDCDHM COc1cccc([O-])c1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000769431599 585556534 /nfs/dbraw/zinc/55/65/34/585556534.db2.gz CILGKKYSRPSETL-PHIMTYICSA-N -1 3 249.310 1.764 20 10 BDCDHM O=C(NCc1cccnn1)c1cc([O-])cs1 ZINC000774298343 585656127 /nfs/dbraw/zinc/65/61/27/585656127.db2.gz JVHIMPABFZBIFB-UHFFFAOYSA-N -1 3 235.268 1.174 20 10 BDCDHM C[C@H]1CCOCCN1C(=O)c1cc([O-])cs1 ZINC000775617119 585681726 /nfs/dbraw/zinc/68/17/26/585681726.db2.gz CSGBFIYFOLFTKO-QMMMGPOBSA-N -1 3 241.312 1.705 20 10 BDCDHM O=C(N[C@@H]1CCCOCC1)c1cc([O-])cs1 ZINC000776498339 585699537 /nfs/dbraw/zinc/69/95/37/585699537.db2.gz JXPYZCBDSAVVDG-MRVPVSSYSA-N -1 3 241.312 1.753 20 10 BDCDHM CN(Cc1ccc[nH]1)C(=O)c1cccc(O)c1[O-] ZINC000790842121 585970366 /nfs/dbraw/zinc/97/03/66/585970366.db2.gz CUFXTWSTYRFNCJ-UHFFFAOYSA-N -1 3 246.266 1.698 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CCOCC12CC2 ZINC000802658675 586309380 /nfs/dbraw/zinc/30/93/80/586309380.db2.gz MDVIIDDJEMQMDH-UHFFFAOYSA-N -1 3 237.274 1.896 20 10 BDCDHM CC(C)[C@@H](CO)CNC(=O)c1cc([O-])cs1 ZINC000807777358 586449061 /nfs/dbraw/zinc/44/90/61/586449061.db2.gz OYYLYSUKBZAISH-MRVPVSSYSA-N -1 3 243.328 1.448 20 10 BDCDHM C[C@H](NCC(F)(F)CN)c1ccc(F)cc1[O-] ZINC000817966684 586850845 /nfs/dbraw/zinc/85/08/45/586850845.db2.gz SYJXODUVVMSLOQ-ZETCQYMHSA-N -1 3 248.248 1.776 20 10 BDCDHM NCC(F)(F)CN[C@H]1CCc2cccc([O-])c21 ZINC000817967172 586855897 /nfs/dbraw/zinc/85/58/97/586855897.db2.gz DNAQPNKAMFZDLB-VIFPVBQESA-N -1 3 242.269 1.563 20 10 BDCDHM COc1cc(C[N@H+](C)CC(=O)[O-])c([O-])cc1C ZINC000820763819 587071118 /nfs/dbraw/zinc/07/11/18/587071118.db2.gz DYBOOCWPSARVER-UHFFFAOYSA-N -1 3 239.271 1.226 20 10 BDCDHM COc1cc(C[N@@H+](C)CC(=O)[O-])c([O-])cc1C ZINC000820763819 587071120 /nfs/dbraw/zinc/07/11/20/587071120.db2.gz DYBOOCWPSARVER-UHFFFAOYSA-N -1 3 239.271 1.226 20 10 BDCDHM Cc1cc(Cl)cc(C[NH2+][C@@H](C)C(=O)[O-])c1[O-] ZINC000820976667 587086194 /nfs/dbraw/zinc/08/61/94/587086194.db2.gz QTDIJYHLVVCRNI-ZETCQYMHSA-N -1 3 243.690 1.917 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CCc2nn[nH]c2C1 ZINC000827884625 587407757 /nfs/dbraw/zinc/40/77/57/587407757.db2.gz DWFSZKZYNDCEHX-UHFFFAOYSA-N -1 3 248.261 1.208 20 10 BDCDHM CC[C@H](C[C@H](C)O)NC(=O)c1cc([O-])cs1 ZINC000831318335 587598413 /nfs/dbraw/zinc/59/84/13/587598413.db2.gz MQIUPETZQKMWCX-JGVFFNPUSA-N -1 3 243.328 1.733 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCO[C@H]2C[C@H]21 ZINC000832634316 587670947 /nfs/dbraw/zinc/67/09/47/587670947.db2.gz NHVJPIWNNXPASS-SFYZADRCSA-N -1 3 225.269 1.067 20 10 BDCDHM CC1(C)OCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000833655674 587727033 /nfs/dbraw/zinc/72/70/33/587727033.db2.gz FGYIOEWZVUCHJD-SECBINFHSA-N -1 3 241.312 1.751 20 10 BDCDHM O=C([O-])NCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000834237018 587749495 /nfs/dbraw/zinc/74/94/95/587749495.db2.gz DMSWCYCNCMBVDL-UHFFFAOYSA-N -1 3 242.250 1.279 20 10 BDCDHM CON(C)Cc1c([O-])ccc2ccncc21 ZINC000835025434 587779001 /nfs/dbraw/zinc/77/90/01/587779001.db2.gz VJQXOMUAEAHDML-UHFFFAOYSA-N -1 3 218.256 1.934 20 10 BDCDHM C[C@H](O)C(=O)NCc1cc(Cl)ccc1[O-] ZINC000846474345 588266974 /nfs/dbraw/zinc/26/69/74/588266974.db2.gz UUVOVMCBTBNQOE-LURJTMIESA-N -1 3 229.663 1.043 20 10 BDCDHM COCC(C)(C)NC(=O)c1cc([O-])cs1 ZINC000846656559 588281062 /nfs/dbraw/zinc/28/10/62/588281062.db2.gz WZSVNHQNGHQUNH-UHFFFAOYSA-N -1 3 229.301 1.609 20 10 BDCDHM CC(C)[C@@H](O)COC(=O)c1cc([O-])cs1 ZINC000849728463 588490787 /nfs/dbraw/zinc/49/07/87/588490787.db2.gz SMQLDQONRKGAAR-QMMMGPOBSA-N -1 3 230.285 1.627 20 10 BDCDHM O=C([O-])C1CC([NH2+]Cc2ccccc2[O-])C1 ZINC000874056558 590088827 /nfs/dbraw/zinc/08/88/27/590088827.db2.gz WUDIGSNZALAUKE-UHFFFAOYSA-N -1 3 221.256 1.345 20 10 BDCDHM COC(=O)CN(C)Cc1c(C)cccc1[O-] ZINC000876586135 590218606 /nfs/dbraw/zinc/21/86/06/590218606.db2.gz AEQKGGGVTKAAHA-UHFFFAOYSA-N -1 3 223.272 1.305 20 10 BDCDHM CCNC(=O)CN(C)Cc1ccc(C)cc1[O-] ZINC000876621908 590222958 /nfs/dbraw/zinc/22/29/58/590222958.db2.gz LYVRKHAPWNJAES-UHFFFAOYSA-N -1 3 236.315 1.269 20 10 BDCDHM O=C(Nc1ccncc1)c1cccc(O)c1[O-] ZINC000126195099 590247128 /nfs/dbraw/zinc/24/71/28/590247128.db2.gz JBSRFTDVGXSCPP-UHFFFAOYSA-N -1 3 230.223 1.745 20 10 BDCDHM Cc1ccc(CNCc2cc[nH]n2)c([O-])c1 ZINC000876914949 590256530 /nfs/dbraw/zinc/25/65/30/590256530.db2.gz JJIKBVLZNPWIGP-UHFFFAOYSA-N -1 3 217.272 1.714 20 10 BDCDHM Cc1cccc([O-])c1CNCc1cocn1 ZINC000877046443 590273786 /nfs/dbraw/zinc/27/37/86/590273786.db2.gz LWBRDIJYICJPOU-UHFFFAOYSA-N -1 3 218.256 1.978 20 10 BDCDHM O=C(NCCC(F)(F)F)c1cccc(O)c1[O-] ZINC000126405317 590301539 /nfs/dbraw/zinc/30/15/39/590301539.db2.gz NLQXWOCFYZHCSS-UHFFFAOYSA-N -1 3 249.188 1.780 20 10 BDCDHM COC(=O)[C@@H](C)N(C)Cc1c(C)cccc1[O-] ZINC000877490820 590340461 /nfs/dbraw/zinc/34/04/61/590340461.db2.gz JEEOZVBWLSUJFG-SNVBAGLBSA-N -1 3 237.299 1.694 20 10 BDCDHM CCn1ncc(CNCc2c(C)cccc2[O-])n1 ZINC000877648225 590384041 /nfs/dbraw/zinc/38/40/41/590384041.db2.gz MICJBZHEZJFBDW-UHFFFAOYSA-N -1 3 246.314 1.602 20 10 BDCDHM Cn1ccc(CN2Cc3cccc([O-])c3C2)n1 ZINC000877703431 590396430 /nfs/dbraw/zinc/39/64/30/590396430.db2.gz IZNASXNZVWQEJC-UHFFFAOYSA-N -1 3 229.283 1.642 20 10 BDCDHM C[N@H+](CCCC(=O)[O-])Cc1ccccc1[O-] ZINC000083414387 600317910 /nfs/dbraw/zinc/31/79/10/600317910.db2.gz XANPQNYCVFJNOJ-UHFFFAOYSA-N -1 3 223.272 1.689 20 10 BDCDHM C[N@@H+](CCCC(=O)[O-])Cc1ccccc1[O-] ZINC000083414387 600317914 /nfs/dbraw/zinc/31/79/14/600317914.db2.gz XANPQNYCVFJNOJ-UHFFFAOYSA-N -1 3 223.272 1.689 20 10 BDCDHM O=C([O-])N1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000740505201 602879989 /nfs/dbraw/zinc/87/99/89/602879989.db2.gz KNWBRMDFMYSUSC-JTQLQIEISA-N -1 3 236.271 1.234 20 10 BDCDHM C[C@@H](N[C@H]1CNOC1)c1cc(F)cc(F)c1[O-] ZINC000925870106 635578498 /nfs/dbraw/zinc/57/84/98/635578498.db2.gz UIEFDZKARCWWOC-SVRRBLITSA-N -1 3 244.241 1.224 20 10 BDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000163270851 633052332 /nfs/dbraw/zinc/05/23/32/633052332.db2.gz YDKXEJDMNNVYFM-ZETCQYMHSA-N -1 3 221.256 1.626 20 10 BDCDHM C[C@H]1C[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928707723 636341127 /nfs/dbraw/zinc/34/11/27/636341127.db2.gz HAHKUFICKCUDBY-YUMQZZPRSA-N -1 3 223.247 1.804 20 10 BDCDHM O=C(Nc1cn[nH]c1)c1cccc(O)c1[O-] ZINC000163271097 636345770 /nfs/dbraw/zinc/34/57/70/636345770.db2.gz UJLJHSWWCAMNQQ-UHFFFAOYSA-N -1 3 219.200 1.073 20 10 BDCDHM O=C(Nc1ncccc1[O-])c1cccc(O)c1O ZINC000186793766 644145944 /nfs/dbraw/zinc/14/59/44/644145944.db2.gz PISAOROVCJTVTP-UHFFFAOYSA-N -1 3 246.222 1.451 20 10 BDCDHM CN(C(=O)c1cccc(O)c1[O-])C(C)(C)C ZINC000382227917 711641110 /nfs/dbraw/zinc/64/11/10/711641110.db2.gz GMJIZKZEEOVMPA-UHFFFAOYSA-N -1 3 223.272 1.968 20 10 BDCDHM CN1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142502462 961458468 /nfs/dbraw/zinc/45/84/68/961458468.db2.gz PMNJNRPPZSWBRF-UHFFFAOYSA-N -1 3 242.269 1.418 20 10 BDCDHM Cc1cccc([O-])c1C[NH2+]CCCC(=O)[O-] ZINC001605344927 979857118 /nfs/dbraw/zinc/85/71/18/979857118.db2.gz FIYGRWSGLSJXSJ-UHFFFAOYSA-N -1 3 223.272 1.655 20 10 BDCDHM C[C@H]1C[C@H]1c1nnc(-c2cc(O)c([O-])c(O)c2)o1 ZINC001256626650 970889783 /nfs/dbraw/zinc/88/97/83/970889783.db2.gz SRQIHASFVOXPSA-CAHLUQPWSA-N -1 3 248.238 1.977 20 10 BDCDHM [O-]c1cc(F)c(F)cc1CNCc1ccno1 ZINC001205305847 967500378 /nfs/dbraw/zinc/50/03/78/967500378.db2.gz MANJGOPKINRLJB-UHFFFAOYSA-N -1 3 240.209 1.948 20 10 BDCDHM O=C([O-])CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000309542007 967938696 /nfs/dbraw/zinc/93/86/96/967938696.db2.gz YNDYXJAHJBGXRZ-SECBINFHSA-N -1 3 221.256 1.444 20 10 BDCDHM CC(F)(F)CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582174 973867986 /nfs/dbraw/zinc/86/79/86/973867986.db2.gz ZIIMWGXVIUZBGF-UHFFFAOYSA-N -1 3 247.197 1.188 20 10 BDCDHM CN(Cc1cc(Cl)c([O-])cc1O)C1COC1 ZINC001232268425 977989210 /nfs/dbraw/zinc/98/92/10/977989210.db2.gz PAGVFQBXIYSEFM-UHFFFAOYSA-N -1 3 243.690 1.582 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)c1cccnn1 ZINC001178412882 978566631 /nfs/dbraw/zinc/56/66/31/978566631.db2.gz JHCKYUOMOJZPET-UHFFFAOYSA-N -1 3 247.229 1.251 20 10 BDCDHM O=C(N[C@H]1C[C@@H]1C1CC1)c1cccc(O)c1[O-] ZINC000717041104 983510223 /nfs/dbraw/zinc/51/02/23/983510223.db2.gz WIDRHKZWWNQPBN-ZJUUUORDSA-N -1 3 233.267 1.626 20 10 BDCDHM [O-]c1c(F)cccc1CN1CC[C@@H](F)[C@@H](O)C1 ZINC001138122394 984801061 /nfs/dbraw/zinc/80/10/61/984801061.db2.gz BNEIMWQWYSUEOB-KOLCDFICSA-N -1 3 243.253 1.436 20 10 BDCDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)[nH]n1 ZINC001456101205 985111688 /nfs/dbraw/zinc/11/16/88/985111688.db2.gz SGGZPWZDPWCFPA-UHFFFAOYSA-N -1 3 249.245 1.493 20 10 BDCDHM Cc1ccc(C(=O)Nc2cc[nH]n2)c([O-])c1O ZINC001323595272 988560915 /nfs/dbraw/zinc/56/09/15/988560915.db2.gz KAKUDBMJZBUPTN-UHFFFAOYSA-N -1 3 233.227 1.382 20 10 BDCDHM CN(C)c1ccc(CN[C@H](CF)C(=O)[O-])cc1 ZINC001598320837 991321326 /nfs/dbraw/zinc/32/13/26/991321326.db2.gz VLBGZKODNYIWKK-LLVKDONJSA-N -1 3 240.278 1.265 20 10 BDCDHM O=C1CCN(Cc2cc(F)ccc2[O-])C1 ZINC001140055157 991507354 /nfs/dbraw/zinc/50/73/54/991507354.db2.gz MEVXLQJNDWJJRS-UHFFFAOYSA-N -1 3 209.220 1.306 20 10 BDCDHM CC[C@H](C[NH2+]Cc1ccc(C)cc1[O-])C(=O)[O-] ZINC001573805446 992721977 /nfs/dbraw/zinc/72/19/77/992721977.db2.gz OWOXNOYWJNSYOY-SNVBAGLBSA-N -1 3 237.299 1.901 20 10 BDCDHM Cc1cc(CNCc2cccc(F)c2[O-])n(C)n1 ZINC000284289240 178027942 /nfs/dbraw/zinc/02/79/42/178027942.db2.gz HZWWNGUFGHLHPQ-UHFFFAOYSA-N -1 3 249.289 1.863 20 10 BDCDHM Cc1ccc(C(=O)N2CCC2)c([O-])c1O ZINC000181788934 178385898 /nfs/dbraw/zinc/38/58/98/178385898.db2.gz UWZQQKOCHHIQOG-UHFFFAOYSA-N -1 3 207.229 1.252 20 10 BDCDHM Cc1ccc(C(=O)N2C[C@H](C)[C@H]2C)c([O-])c1O ZINC000293893023 178399712 /nfs/dbraw/zinc/39/97/12/178399712.db2.gz BSLZIYNTTPAXQH-DTWKUNHWSA-N -1 3 235.283 1.887 20 10 BDCDHM CC1(C)CNC(=O)CN1Cc1ccccc1[O-] ZINC000282707383 351941658 /nfs/dbraw/zinc/94/16/58/351941658.db2.gz KFYOTGHQMHCWKI-UHFFFAOYSA-N -1 3 234.299 1.103 20 10 BDCDHM CCN1CCCN(Cc2ccccc2[O-])CC1=O ZINC000191544032 357784740 /nfs/dbraw/zinc/78/47/40/357784740.db2.gz DILJTHXSIXMVSY-UHFFFAOYSA-N -1 3 248.326 1.446 20 10 BDCDHM [O-]c1cc2c(cc1CN1CCO[C@@H]3C[C@@H]31)OCO2 ZINC000368313083 183261557 /nfs/dbraw/zinc/26/15/57/183261557.db2.gz SOVQWRZILGRGEJ-GXSJLCMTSA-N -1 3 249.266 1.094 20 10 BDCDHM CN(Cc1nccn1C)Cc1ccccc1[O-] ZINC000096477929 384461440 /nfs/dbraw/zinc/46/14/40/384461440.db2.gz PXJJJAPHDGNOFW-UHFFFAOYSA-N -1 3 231.299 1.758 20 10 BDCDHM COC(=O)[C@@H](C)NCc1c([O-])cccc1Cl ZINC000127312781 384882083 /nfs/dbraw/zinc/88/20/83/384882083.db2.gz JAHYFRZSLKQRHK-SSDOTTSWSA-N -1 3 243.690 1.697 20 10 BDCDHM CCONC(=O)c1ccc(C)c(O)c1[O-] ZINC000177664684 385272398 /nfs/dbraw/zinc/27/23/98/385272398.db2.gz PMUVTGQBIPJCPX-UHFFFAOYSA-N -1 3 211.217 1.088 20 10 BDCDHM CO[C@H](C)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000292697847 386712494 /nfs/dbraw/zinc/71/24/94/386712494.db2.gz XICUJIIDJPTDNI-HTQZYQBOSA-N -1 3 239.271 1.251 20 10 BDCDHM CCOC(=O)CN(C)Cc1ccccc1[O-] ZINC000119529357 170214513 /nfs/dbraw/zinc/21/45/13/170214513.db2.gz SCCWMGQWIKXWMO-UHFFFAOYSA-N -1 3 223.272 1.387 20 10 BDCDHM CN1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000162804006 173088021 /nfs/dbraw/zinc/08/80/21/173088021.db2.gz QZVTZUPDDKTVNR-UHFFFAOYSA-N -1 3 240.734 1.793 20 10 BDCDHM COCC[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126446037 174381786 /nfs/dbraw/zinc/38/17/86/174381786.db2.gz HLYGXWSMCWEILE-MRVPVSSYSA-N -1 3 239.271 1.253 20 10 BDCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H]1C ZINC000126471767 176261712 /nfs/dbraw/zinc/26/17/12/176261712.db2.gz URBKVWXSEISMQM-DTORHVGOSA-N -1 3 235.283 1.826 20 10 BDCDHM C[C@@H]1[C@@H](C)CN1C(=O)c1cccc(O)c1[O-] ZINC000294043995 177228303 /nfs/dbraw/zinc/22/83/03/177228303.db2.gz KHMVLFXUWZAZJE-JGVFFNPUSA-N -1 3 221.256 1.578 20 10 BDCDHM CC[C@H](COC)NC(=O)c1cc([O-])cs1 ZINC000738550279 585046704 /nfs/dbraw/zinc/04/67/04/585046704.db2.gz ZPJBFYTWAWLJTL-SSDOTTSWSA-N -1 3 229.301 1.609 20 10 BDCDHM CCN(C(=O)c1cc([O-])cs1)[C@@H](C)CO ZINC000854663328 588799964 /nfs/dbraw/zinc/79/99/64/588799964.db2.gz DBOFHRREOTXRJK-ZETCQYMHSA-N -1 3 229.301 1.297 20 10 BDCDHM CO[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000895969044 583755206 /nfs/dbraw/zinc/75/52/06/583755206.db2.gz VUBNUMIJOISOKD-GFCCVEGCSA-N -1 3 241.262 1.336 20 10 BDCDHM CO[C@@H](C)CNC(=O)c1cc([O-])cs1 ZINC000785427379 584007710 /nfs/dbraw/zinc/00/77/10/584007710.db2.gz MVWYYVPXKNSHMY-LURJTMIESA-N -1 3 215.274 1.218 20 10 BDCDHM [O-]c1c(F)cc(Cl)cc1CN[C@@H]1CNOC1 ZINC000904424953 584880900 /nfs/dbraw/zinc/88/09/00/584880900.db2.gz RXLJAONWJJQRRN-MRVPVSSYSA-N -1 3 246.669 1.178 20 10 BDCDHM CCOC(=O)[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000731870649 584930205 /nfs/dbraw/zinc/93/02/05/584930205.db2.gz SMBJDTMMNHVGNH-LURJTMIESA-N -1 3 243.284 1.135 20 10 BDCDHM Cc1nnc(COC(=O)c2cc([O-])cs2)o1 ZINC000731912664 584931315 /nfs/dbraw/zinc/93/13/15/584931315.db2.gz XJIUDDZUMITWME-UHFFFAOYSA-N -1 3 240.240 1.502 20 10 BDCDHM O=C(N[C@@H]1CCCOC1)c1cc([O-])cs1 ZINC000732288828 584935817 /nfs/dbraw/zinc/93/58/17/584935817.db2.gz GTDQMKALSWOHSP-SSDOTTSWSA-N -1 3 227.285 1.363 20 10 BDCDHM CCCC(=O)COC(=O)c1cc([O-])cs1 ZINC000738650149 585050125 /nfs/dbraw/zinc/05/01/25/585050125.db2.gz MBFDFMLPUIEOSU-UHFFFAOYSA-N -1 3 228.269 1.980 20 10 BDCDHM [O-]c1ccccc1CN1CC(OC(F)F)C1 ZINC000839145578 585092526 /nfs/dbraw/zinc/09/25/26/585092526.db2.gz UMPRYHUWHDDWPY-UHFFFAOYSA-N -1 3 229.226 1.816 20 10 BDCDHM COC1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000839127559 585093236 /nfs/dbraw/zinc/09/32/36/585093236.db2.gz FWTSMLINYOWWHT-UHFFFAOYSA-N -1 3 227.691 1.876 20 10 BDCDHM CN(Cc1cc2c(cc1[O-])OCO2)CC(F)F ZINC000103458782 585103452 /nfs/dbraw/zinc/10/34/52/585103452.db2.gz YRAMHDITSHYZOA-UHFFFAOYSA-N -1 3 245.225 1.818 20 10 BDCDHM O=C(NCCn1cccc1)c1cc([O-])cs1 ZINC000748370991 585191852 /nfs/dbraw/zinc/19/18/52/585191852.db2.gz WOGURCPVFWQPMH-UHFFFAOYSA-N -1 3 236.296 1.685 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCc2c[nH]nc2C1 ZINC000750809110 585220134 /nfs/dbraw/zinc/22/01/34/585220134.db2.gz PFDRJYYABQLVMV-UHFFFAOYSA-N -1 3 249.295 1.375 20 10 BDCDHM CS[C@@H](C)CNC(=O)c1cc([O-])cs1 ZINC000752632556 585248436 /nfs/dbraw/zinc/24/84/36/585248436.db2.gz VRCLVLOPJSTQRV-LURJTMIESA-N -1 3 231.342 1.935 20 10 BDCDHM CCOc1ccc(CN2CC(F)C2)c([O-])c1 ZINC000753574915 585262271 /nfs/dbraw/zinc/26/22/71/585262271.db2.gz FOLRDXNDJFACDB-UHFFFAOYSA-N -1 3 225.263 1.945 20 10 BDCDHM C[C@@H](CO)[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000757909112 585346736 /nfs/dbraw/zinc/34/67/36/585346736.db2.gz SFRMPHVDTJQVTP-BQBZGAKWSA-N -1 3 229.301 1.200 20 10 BDCDHM O=C(N[C@@H]1CCCC[C@H]1O)c1cc([O-])cs1 ZINC000757904120 585346745 /nfs/dbraw/zinc/34/67/45/585346745.db2.gz FUGUVIWVVHRKIM-RKDXNWHRSA-N -1 3 241.312 1.487 20 10 BDCDHM CCC1CN(C(=O)c2cc([O-])cs2)C1 ZINC000839790964 585359123 /nfs/dbraw/zinc/35/91/23/585359123.db2.gz HPBYQGZJMXOWHZ-UHFFFAOYSA-N -1 3 211.286 1.936 20 10 BDCDHM C[C@@]1(NC(=O)c2cc([O-])cs2)CCOC1 ZINC000765234084 585483136 /nfs/dbraw/zinc/48/31/36/585483136.db2.gz ILIZSIBBDNIYHL-SNVBAGLBSA-N -1 3 227.285 1.363 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCC(O)CC1 ZINC000768924359 585546159 /nfs/dbraw/zinc/54/61/59/585546159.db2.gz AXIAWLFMAKXGJS-UHFFFAOYSA-N -1 3 227.285 1.051 20 10 BDCDHM CC(C)C[C@@H](O)CNC(=O)c1cc([O-])cs1 ZINC000771051109 585588819 /nfs/dbraw/zinc/58/88/19/585588819.db2.gz TWNMJGBFIXTVIA-MRVPVSSYSA-N -1 3 243.328 1.591 20 10 BDCDHM Cc1ccc(C(=O)NC2CC(C)C2)c([O-])c1O ZINC000780963478 585787433 /nfs/dbraw/zinc/78/74/33/585787433.db2.gz PZSDLDPVOZPZFT-UHFFFAOYSA-N -1 3 235.283 1.935 20 10 BDCDHM COC[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000783607012 585838174 /nfs/dbraw/zinc/83/81/74/585838174.db2.gz CYXPVGHAEPUUKY-LURJTMIESA-N -1 3 216.258 1.645 20 10 BDCDHM CC(C)(NC(=O)c1cccc(O)c1[O-])C(F)F ZINC000792594668 586003094 /nfs/dbraw/zinc/00/30/94/586003094.db2.gz VJVILLNFYPFAJD-UHFFFAOYSA-N -1 3 245.225 1.871 20 10 BDCDHM CN(C(=O)c1cc([O-])cs1)[C@@H]1CCCOC1 ZINC000807678258 586448422 /nfs/dbraw/zinc/44/84/22/586448422.db2.gz HCMCNPBUSYZVFW-MRVPVSSYSA-N -1 3 241.312 1.705 20 10 BDCDHM COC1(C)CN(Cc2ccccc2[O-])C1 ZINC000813332317 586600374 /nfs/dbraw/zinc/60/03/74/586600374.db2.gz VBOBZAPTGRPSEK-UHFFFAOYSA-N -1 3 207.273 1.613 20 10 BDCDHM Cc1cccc(C[NH+]2CCC(C(=O)[O-])CC2)c1[O-] ZINC000821111857 587096455 /nfs/dbraw/zinc/09/64/55/587096455.db2.gz ABBWYCGSQCDHRE-UHFFFAOYSA-N -1 3 249.310 1.997 20 10 BDCDHM O=C(c1cc([O-])cs1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000829393183 587495274 /nfs/dbraw/zinc/49/52/74/587495274.db2.gz GBKYDSBPPKERQA-DTORHVGOSA-N -1 3 239.296 1.457 20 10 BDCDHM CCC[C@](C)(CO)NC(=O)c1cc([O-])cs1 ZINC000831816934 587632751 /nfs/dbraw/zinc/63/27/51/587632751.db2.gz LYWHQEHQPFDVTA-LLVKDONJSA-N -1 3 243.328 1.735 20 10 BDCDHM COC[C@@H]1CCN1C(=O)c1cc([O-])cs1 ZINC000832862563 587694241 /nfs/dbraw/zinc/69/42/41/587694241.db2.gz ZTTFJMQTYSWGCU-ZETCQYMHSA-N -1 3 227.285 1.315 20 10 BDCDHM CCN(CCO)Cc1ccc(F)c(F)c1[O-] ZINC000876526671 590208761 /nfs/dbraw/zinc/20/87/61/590208761.db2.gz AMUZOXFETZIXRA-UHFFFAOYSA-N -1 3 231.242 1.485 20 10 BDCDHM Cc1ccc(CN2CCn3ccnc3C2)c([O-])c1 ZINC000876676637 590229949 /nfs/dbraw/zinc/22/99/49/590229949.db2.gz SYOTWELMLRDTID-UHFFFAOYSA-N -1 3 243.310 1.913 20 10 BDCDHM C[C@H](C1CC1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000126262956 590262117 /nfs/dbraw/zinc/26/21/17/590262117.db2.gz WDBIDGKUEXMHPX-MRVPVSSYSA-N -1 3 235.283 1.968 20 10 BDCDHM CCOC[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126356045 590287229 /nfs/dbraw/zinc/28/72/29/590287229.db2.gz LFRHUMFFGGYDRE-QMMMGPOBSA-N -1 3 239.271 1.253 20 10 BDCDHM Cc1ccc(CN[C@@H](C)c2ncnn2C)c([O-])c1 ZINC000877469783 590335242 /nfs/dbraw/zinc/33/52/42/590335242.db2.gz YZGJLWRXBPDSFG-JTQLQIEISA-N -1 3 246.314 1.680 20 10 BDCDHM CO[C@H]1C[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000881574788 591246367 /nfs/dbraw/zinc/24/63/67/591246367.db2.gz ZDWPPSURZKVJDQ-XWEPSHTISA-N -1 3 241.312 1.609 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CC[C@H](CF)C1 ZINC000881669328 591262968 /nfs/dbraw/zinc/26/29/68/591262968.db2.gz UDDFBHWLMKXXJX-SSDOTTSWSA-N -1 3 229.276 1.885 20 10 BDCDHM C[C@H]1CCC(=O)CN1C(=O)c1cccc(O)c1[O-] ZINC000885083449 592048722 /nfs/dbraw/zinc/04/87/22/592048722.db2.gz OFQXIHGCBXRGDS-QMMMGPOBSA-N -1 3 249.266 1.291 20 10 BDCDHM O=C([O-])[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236438708 598211345 /nfs/dbraw/zinc/21/13/45/598211345.db2.gz DJBWHEYXYXCGFM-QMMMGPOBSA-N -1 3 239.246 1.438 20 10 BDCDHM O=C([O-])[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236438708 598211346 /nfs/dbraw/zinc/21/13/46/598211346.db2.gz DJBWHEYXYXCGFM-QMMMGPOBSA-N -1 3 239.246 1.438 20 10 BDCDHM CN(CCC[NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000739684178 602648762 /nfs/dbraw/zinc/64/87/62/602648762.db2.gz IJXAPPOBYKUXNN-UHFFFAOYSA-N -1 3 238.287 1.482 20 10 BDCDHM COC1(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928704879 636341011 /nfs/dbraw/zinc/34/10/11/636341011.db2.gz AGVIAWPMPRLFAR-UHFFFAOYSA-N -1 3 239.246 1.327 20 10 BDCDHM O=C(Nc1cncnc1)c1cccc(O)c1[O-] ZINC000229418072 640954771 /nfs/dbraw/zinc/95/47/71/640954771.db2.gz JFFYEGNMRNWCCV-UHFFFAOYSA-N -1 3 231.211 1.140 20 10 BDCDHM COCCOC(=O)NCc1c([O-])cccc1F ZINC000921450536 642625822 /nfs/dbraw/zinc/62/58/22/642625822.db2.gz AJIWOPAWXONSFL-UHFFFAOYSA-N -1 3 243.234 1.404 20 10 BDCDHM CSCCNC(=O)c1cccc(O)c1[O-] ZINC000163274885 643189095 /nfs/dbraw/zinc/18/90/95/643189095.db2.gz PZBBZYXJGFUEPB-UHFFFAOYSA-N -1 3 227.285 1.191 20 10 BDCDHM CN(C(=O)c1cccc(O)c1[O-])c1cnn(C)c1 ZINC000185721995 643368564 /nfs/dbraw/zinc/36/85/64/643368564.db2.gz OQNDZFBPAXMOGS-UHFFFAOYSA-N -1 3 247.254 1.108 20 10 BDCDHM O=C([O-])CC[N@H+](Cc1ccccc1[O-])C1CC1 ZINC000086736188 644173800 /nfs/dbraw/zinc/17/38/00/644173800.db2.gz NNDGUYHDYRDNMY-UHFFFAOYSA-N -1 3 235.283 1.831 20 10 BDCDHM O=C([O-])CC[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC000086736188 644173807 /nfs/dbraw/zinc/17/38/07/644173807.db2.gz NNDGUYHDYRDNMY-UHFFFAOYSA-N -1 3 235.283 1.831 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC2(CC2)C1 ZINC000926457715 646645117 /nfs/dbraw/zinc/64/51/17/646645117.db2.gz JBUJRVZTIAIFMT-UHFFFAOYSA-N -1 3 219.240 1.334 20 10 BDCDHM C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@@]1(C)C(=O)[O-] ZINC000710268818 712250051 /nfs/dbraw/zinc/25/00/51/712250051.db2.gz UWJUOBBITJOJSX-QMTHXVAHSA-N -1 3 249.310 1.935 20 10 BDCDHM C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@]1(C)C(=O)[O-] ZINC000710268818 712250052 /nfs/dbraw/zinc/25/00/52/712250052.db2.gz UWJUOBBITJOJSX-QMTHXVAHSA-N -1 3 249.310 1.935 20 10 BDCDHM CCC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC000233293725 960316246 /nfs/dbraw/zinc/31/62/46/960316246.db2.gz RIPPYRFUEDGUPU-SNVBAGLBSA-N -1 3 241.262 1.874 20 10 BDCDHM Cc1nocc1CNC(=O)c1cccc(O)c1[O-] ZINC000398035815 958002123 /nfs/dbraw/zinc/00/21/23/958002123.db2.gz APXKQTKFDQYJCZ-UHFFFAOYSA-N -1 3 248.238 1.324 20 10 BDCDHM C[C@H]1CC[N@H+](Cc2ccccc2[O-])C[C@H]1C(=O)[O-] ZINC000693464430 958472285 /nfs/dbraw/zinc/47/22/85/958472285.db2.gz MFWFYIDAWIIGJE-CMPLNLGQSA-N -1 3 249.310 1.935 20 10 BDCDHM C[C@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@H]1C(=O)[O-] ZINC000693464430 958472294 /nfs/dbraw/zinc/47/22/94/958472294.db2.gz MFWFYIDAWIIGJE-CMPLNLGQSA-N -1 3 249.310 1.935 20 10 BDCDHM [O-]c1c(O)cc(-c2nnc(C3CC3)o2)cc1O ZINC001254049415 969460660 /nfs/dbraw/zinc/46/06/60/969460660.db2.gz XURGRUZIGQJNBP-UHFFFAOYSA-N -1 3 234.211 1.731 20 10 BDCDHM C[C@H](CC(=O)[O-])[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC001609888472 970586186 /nfs/dbraw/zinc/58/61/86/970586186.db2.gz MKXGPOVVPDNROH-PSASIEDQSA-N -1 3 235.283 1.832 20 10 BDCDHM CC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148219145 973813177 /nfs/dbraw/zinc/81/31/77/973813177.db2.gz VCVBPTYLSIQPSS-VIFPVBQESA-N -1 3 249.266 1.149 20 10 BDCDHM C[C@H]([NH2+]C1CC(C(=O)[O-])C1)c1ccccc1[O-] ZINC001594240597 977573968 /nfs/dbraw/zinc/57/39/68/977573968.db2.gz AHQNASOQWKOVFL-IDKOKCKLSA-N -1 3 235.283 1.906 20 10 BDCDHM O=C([O-])c1ccc(C[NH+]2CCC2)c([O-])c1 ZINC001231448581 977590677 /nfs/dbraw/zinc/59/06/77/977590677.db2.gz JJOVQPNGVDRJKY-UHFFFAOYSA-N -1 3 207.229 1.296 20 10 BDCDHM CC1(C)C[NH+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445800 977592784 /nfs/dbraw/zinc/59/27/84/977592784.db2.gz BCAZCKFTGMKDGM-UHFFFAOYSA-N -1 3 235.283 1.932 20 10 BDCDHM [O-]c1c(CN2CC[C@@H](O)C2)ccc(F)c1F ZINC001233074665 978458932 /nfs/dbraw/zinc/45/89/32/978458932.db2.gz RQPFTBOQDFEZIT-MRVPVSSYSA-N -1 3 229.226 1.237 20 10 BDCDHM C[C@H]1CN(Cc2c([O-])ccc(F)c2F)C[C@H]1O ZINC001233332230 978568789 /nfs/dbraw/zinc/56/87/89/978568789.db2.gz DDGIRQWYGGIKFQ-WRWORJQWSA-N -1 3 243.253 1.483 20 10 BDCDHM O=C([O-])[C@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC001601795570 978850618 /nfs/dbraw/zinc/85/06/18/978850618.db2.gz CNSNRDZZSMMXHG-ONGXEEELSA-N -1 3 235.283 1.735 20 10 BDCDHM C[C@@H]([NH2+]C[C@H](C)C(=O)[O-])c1ccccc1[O-] ZINC001603193485 979399253 /nfs/dbraw/zinc/39/92/53/979399253.db2.gz WLPQCKSZVQSPEQ-DTWKUNHWSA-N -1 3 223.272 1.764 20 10 BDCDHM CC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(C)cc1[O-] ZINC001589443477 982789886 /nfs/dbraw/zinc/78/98/86/982789886.db2.gz JTJKMAZRUXVLMT-LLVKDONJSA-N -1 3 237.299 1.996 20 10 BDCDHM CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC001589443477 982789906 /nfs/dbraw/zinc/78/99/06/982789906.db2.gz JTJKMAZRUXVLMT-LLVKDONJSA-N -1 3 237.299 1.996 20 10 BDCDHM Cc1nocc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC001469683275 986992095 /nfs/dbraw/zinc/99/20/95/986992095.db2.gz NUIJKQDZNAJZNF-UHFFFAOYSA-N -1 3 248.238 1.955 20 10 BDCDHM CC[C@@H](NCc1nncn1C)c1ccccc1[O-] ZINC000038007446 343365000 /nfs/dbraw/zinc/36/50/00/343365000.db2.gz DKYJEFZHQYETTA-LLVKDONJSA-N -1 3 246.314 1.762 20 10 BDCDHM [O-]c1c(F)cccc1CN1C[C@H](F)C[C@H]1CO ZINC000372647774 188074919 /nfs/dbraw/zinc/07/49/19/188074919.db2.gz JDUAKHBWANJICM-ZJUUUORDSA-N -1 3 243.253 1.436 20 10 BDCDHM [O-]c1c(F)cccc1CN1CC[C@@H](O)C1 ZINC000272263823 188199358 /nfs/dbraw/zinc/19/93/58/188199358.db2.gz KKBCWEFNHSPQHC-SECBINFHSA-N -1 3 211.236 1.098 20 10 BDCDHM [O-]c1ccc(F)cc1CN(CCO)CC(F)F ZINC000193022070 183068766 /nfs/dbraw/zinc/06/87/66/183068766.db2.gz AOGVHIURZXUMHA-UHFFFAOYSA-N -1 3 249.232 1.591 20 10 BDCDHM CN(Cc1ccccc1[O-])C[C@@H](O)C(F)(F)F ZINC000121592419 384427367 /nfs/dbraw/zinc/42/73/67/384427367.db2.gz QNVYIBMKUCFNBR-SNVBAGLBSA-N -1 3 249.232 1.747 20 10 BDCDHM CC1(C)C[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000163273160 384785585 /nfs/dbraw/zinc/78/55/85/384785585.db2.gz BNDBTGJYVSNQDC-SECBINFHSA-N -1 3 221.256 1.626 20 10 BDCDHM COC(=O)[C@@]1(C)CCCN1Cc1ccccc1[O-] ZINC000189985772 385201992 /nfs/dbraw/zinc/20/19/92/385201992.db2.gz CIMLYHNSADRXGM-CQSZACIVSA-N -1 3 249.310 1.920 20 10 BDCDHM CC[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000177658299 385269118 /nfs/dbraw/zinc/26/91/18/385269118.db2.gz NBYBFWNUHXSCGR-MRVPVSSYSA-N -1 3 223.272 1.935 20 10 BDCDHM Cc1ccc(C(=O)NCC(F)(F)F)c([O-])c1O ZINC000177668999 385271679 /nfs/dbraw/zinc/27/16/79/385271679.db2.gz NETJJNFCYLYGIT-UHFFFAOYSA-N -1 3 249.188 1.698 20 10 BDCDHM CC(C)[C@@H]1C(=O)NCCN1Cc1ccccc1[O-] ZINC000179569818 385474344 /nfs/dbraw/zinc/47/43/44/385474344.db2.gz LVEWURSJBJWBFU-CYBMUJFWSA-N -1 3 248.326 1.349 20 10 BDCDHM CN(Cc1nc[nH]n1)Cc1cc(F)ccc1[O-] ZINC000180174563 385510063 /nfs/dbraw/zinc/51/00/63/385510063.db2.gz MNRCOZKUINDFPX-UHFFFAOYSA-N -1 3 236.250 1.281 20 10 BDCDHM CN(Cc1ccn(C)n1)Cc1ccccc1[O-] ZINC000271139895 385792168 /nfs/dbraw/zinc/79/21/68/385792168.db2.gz UNGBKBJHPZEMPE-UHFFFAOYSA-N -1 3 231.299 1.758 20 10 BDCDHM C[C@@H](N[C@@H](C)c1ncnn1C)c1ccccc1[O-] ZINC000276698322 386364418 /nfs/dbraw/zinc/36/44/18/386364418.db2.gz VKGVPXKGQMDEAH-ZJUUUORDSA-N -1 3 246.314 1.933 20 10 BDCDHM COC[C@@H]1CCN1Cc1cccc(F)c1[O-] ZINC000293616194 386849764 /nfs/dbraw/zinc/84/97/64/386849764.db2.gz KKPRLOWAGCQPFS-JTQLQIEISA-N -1 3 225.263 1.752 20 10 BDCDHM C[C@H]1COCCN1Cc1ccccc1[O-] ZINC000132606273 177292899 /nfs/dbraw/zinc/29/28/99/177292899.db2.gz FZSHPGJTTXUXRF-JTQLQIEISA-N -1 3 207.273 1.613 20 10 BDCDHM COCC(C)(C)N(C)C(=O)c1cc([O-])cs1 ZINC000854604477 588796916 /nfs/dbraw/zinc/79/69/16/588796916.db2.gz CINGHZUYDXWMAC-UHFFFAOYSA-N -1 3 243.328 1.951 20 10 BDCDHM C[C@@H](N(C)C(=O)c1cc([O-])cs1)C(C)(C)O ZINC000854762537 588806124 /nfs/dbraw/zinc/80/61/24/588806124.db2.gz WHWMNMAJQHOUFO-SSDOTTSWSA-N -1 3 243.328 1.685 20 10 BDCDHM CC1=NO[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000854804025 588810962 /nfs/dbraw/zinc/81/09/62/588810962.db2.gz UAXHGKVFPZURQD-QMMMGPOBSA-N -1 3 240.284 1.348 20 10 BDCDHM CN(CC1CN(C)C1)C(=O)c1cc([O-])cs1 ZINC000855642476 588842866 /nfs/dbraw/zinc/84/28/66/588842866.db2.gz ZFZOVXWJIQLXSQ-UHFFFAOYSA-N -1 3 240.328 1.087 20 10 BDCDHM C[C@H](O)C1(NC(=O)c2cc([O-])cs2)CC1 ZINC000856129500 588861789 /nfs/dbraw/zinc/86/17/89/588861789.db2.gz YWRFOCLGXXHHNH-LURJTMIESA-N -1 3 227.285 1.097 20 10 BDCDHM C[C@H](N[C@H]1CCOC1=O)c1ccccc1[O-] ZINC000019876317 583633391 /nfs/dbraw/zinc/63/33/91/583633391.db2.gz UVVJSESFQIDRSH-WPRPVWTQSA-N -1 3 221.256 1.358 20 10 BDCDHM Cc1c[nH]c(CNCc2c([O-])cccc2F)n1 ZINC000896637604 583819700 /nfs/dbraw/zinc/81/97/00/583819700.db2.gz KSKFZVWNKCUMPA-UHFFFAOYSA-N -1 3 235.262 1.853 20 10 BDCDHM C[C@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@H]1O ZINC000897681471 584039528 /nfs/dbraw/zinc/03/95/28/584039528.db2.gz VRPWTDDILCOTIQ-KWQFWETISA-N -1 3 241.718 1.858 20 10 BDCDHM COCCCN(C)C(=O)c1cc([O-])cs1 ZINC000731871623 584930001 /nfs/dbraw/zinc/93/00/01/584930001.db2.gz OPFCYHWTUTWPMN-UHFFFAOYSA-N -1 3 229.301 1.562 20 10 BDCDHM C[C@H]1COCCN1C(=O)c1cc([O-])cs1 ZINC000731868541 584930800 /nfs/dbraw/zinc/93/08/00/584930800.db2.gz IXSNLTTYBVIVTN-ZETCQYMHSA-N -1 3 227.285 1.315 20 10 BDCDHM O=C(NCc1nccs1)c1cc([O-])cs1 ZINC000732272628 584935239 /nfs/dbraw/zinc/93/52/39/584935239.db2.gz YYUBXFRHQDPNCO-UHFFFAOYSA-N -1 3 240.309 1.840 20 10 BDCDHM O=C(NCCn1cccn1)c1cc([O-])cs1 ZINC000732276159 584935674 /nfs/dbraw/zinc/93/56/74/584935674.db2.gz URYFGIRIFOOGJE-UHFFFAOYSA-N -1 3 237.284 1.080 20 10 BDCDHM CCOC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732353303 584936107 /nfs/dbraw/zinc/93/61/07/584936107.db2.gz FJDSVJNYKGLMFH-ZCFIWIBFSA-N -1 3 244.268 1.562 20 10 BDCDHM CC(C)C(=O)COC(=O)c1cc([O-])cs1 ZINC000732354534 584936200 /nfs/dbraw/zinc/93/62/00/584936200.db2.gz UMMAHZWZSVBLFZ-UHFFFAOYSA-N -1 3 228.269 1.836 20 10 BDCDHM COc1cccc([O-])c1CN1CC[C@@H](F)C1 ZINC000824570266 585028865 /nfs/dbraw/zinc/02/88/65/585028865.db2.gz ABOCJQPLMIVCDV-SECBINFHSA-N -1 3 225.263 1.945 20 10 BDCDHM CC(C)C1(O)CN(Cc2ccccc2[O-])C1 ZINC000839132786 585093932 /nfs/dbraw/zinc/09/39/32/585093932.db2.gz LRCLUAUDLHAOJA-UHFFFAOYSA-N -1 3 221.300 1.595 20 10 BDCDHM CC(C)C1(O)CN(Cc2cc(F)ccc2[O-])C1 ZINC000839132936 585094060 /nfs/dbraw/zinc/09/40/60/585094060.db2.gz HWOFCZVLLHDHIR-UHFFFAOYSA-N -1 3 239.290 1.734 20 10 BDCDHM COC[C@H](NC(=O)c1cc([O-])cs1)C(C)C ZINC000743623055 585138496 /nfs/dbraw/zinc/13/84/96/585138496.db2.gz VIWCVHPICCSUNG-VIFPVBQESA-N -1 3 243.328 1.855 20 10 BDCDHM Cn1cccc1CNC(=O)c1cc([O-])cs1 ZINC000743821587 585140056 /nfs/dbraw/zinc/14/00/56/585140056.db2.gz QKVCMADDZXFLCR-UHFFFAOYSA-N -1 3 236.296 1.722 20 10 BDCDHM CN(C[C@@H]1CCOC1)C(=O)c1cc([O-])cs1 ZINC000749545741 585203825 /nfs/dbraw/zinc/20/38/25/585203825.db2.gz WWLQBKZRVJEJJE-QMMMGPOBSA-N -1 3 241.312 1.562 20 10 BDCDHM COC[C@@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000752821486 585250628 /nfs/dbraw/zinc/25/06/28/585250628.db2.gz VADCQDGGGMBREF-QMMMGPOBSA-N -1 3 241.312 1.705 20 10 BDCDHM C[C@@H](O)C[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000753469070 585259370 /nfs/dbraw/zinc/25/93/70/585259370.db2.gz YQBULPKECJMYHW-NKWVEPMBSA-N -1 3 229.301 1.343 20 10 BDCDHM Cc1c[nH]c(NC(=O)c2cc([O-])cs2)n1 ZINC000771037333 585587919 /nfs/dbraw/zinc/58/79/19/585587919.db2.gz MYOOWSZPDHUJCN-UHFFFAOYSA-N -1 3 223.257 1.738 20 10 BDCDHM CC[C@H](C)[C@@H](O)CNC(=O)c1cc([O-])cs1 ZINC000771063147 585589576 /nfs/dbraw/zinc/58/95/76/585589576.db2.gz DWGIYFSCZSKYSC-CBAPKCEASA-N -1 3 243.328 1.591 20 10 BDCDHM CN(C(=O)/C=C\c1cncc([O-])c1)c1cn[nH]c1 ZINC000779669513 585758666 /nfs/dbraw/zinc/75/86/66/585758666.db2.gz OTXDHHHPGOMOCF-IHWYPQMZSA-N -1 3 244.254 1.187 20 10 BDCDHM CCN(Cc1cn(C)nn1)Cc1ccccc1[O-] ZINC000781931500 585805433 /nfs/dbraw/zinc/80/54/33/585805433.db2.gz WDENIHFAIBACCP-UHFFFAOYSA-N -1 3 246.314 1.543 20 10 BDCDHM CC1(F)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000792523791 586001583 /nfs/dbraw/zinc/00/15/83/586001583.db2.gz SOTRJONGUYNAPF-UHFFFAOYSA-N -1 3 225.219 1.282 20 10 BDCDHM C[C@@H]1CC[C@@H](O)CN1C(=O)c1cc([O-])cs1 ZINC000817768158 586826622 /nfs/dbraw/zinc/82/66/22/586826622.db2.gz HKMNBHSYTRXCFI-HTQZYQBOSA-N -1 3 241.312 1.439 20 10 BDCDHM COc1cccc([O-])c1C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000820870936 587078703 /nfs/dbraw/zinc/07/87/03/587078703.db2.gz JIXCSWWFPLQPFI-MRVPVSSYSA-N -1 3 239.271 1.306 20 10 BDCDHM COc1cccc([O-])c1C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000820870936 587078706 /nfs/dbraw/zinc/07/87/06/587078706.db2.gz JIXCSWWFPLQPFI-MRVPVSSYSA-N -1 3 239.271 1.306 20 10 BDCDHM Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)[O-])c1[O-] ZINC000821111928 587096645 /nfs/dbraw/zinc/09/66/45/587096645.db2.gz BLUULXBKLCBFHF-SECBINFHSA-N -1 3 223.272 1.606 20 10 BDCDHM Cc1cccc(C[N@H+](C)[C@H](C)C(=O)[O-])c1[O-] ZINC000821111928 587096647 /nfs/dbraw/zinc/09/66/47/587096647.db2.gz BLUULXBKLCBFHF-SECBINFHSA-N -1 3 223.272 1.606 20 10 BDCDHM C[C@]1(NC(=O)c2cc([O-])cs2)CCCOC1 ZINC000831646012 587626213 /nfs/dbraw/zinc/62/62/13/587626213.db2.gz RPVVFOSFWAAOOK-NSHDSACASA-N -1 3 241.312 1.753 20 10 BDCDHM C[C@]1(CO)CCCN1C(=O)c1cc([O-])cs1 ZINC000832170305 587647967 /nfs/dbraw/zinc/64/79/67/587647967.db2.gz BFQHINVJPXSTTR-LLVKDONJSA-N -1 3 241.312 1.441 20 10 BDCDHM CCC[C@H](O)CCNC(=O)c1cc([O-])cs1 ZINC000832673558 587676550 /nfs/dbraw/zinc/67/65/50/587676550.db2.gz JIOCQHREJNNURV-QMMMGPOBSA-N -1 3 243.328 1.735 20 10 BDCDHM C[C@@H]1CCN(C(=O)c2cc([O-])cs2)[C@@H]1CO ZINC000832761513 587685749 /nfs/dbraw/zinc/68/57/49/587685749.db2.gz ZIDIODOZCHJSTO-VXNVDRBHSA-N -1 3 241.312 1.297 20 10 BDCDHM C[C@H]1CCN(C(=O)c2cc([O-])cs2)[C@H]1CO ZINC000832761436 587685920 /nfs/dbraw/zinc/68/59/20/587685920.db2.gz ZIDIODOZCHJSTO-CBAPKCEASA-N -1 3 241.312 1.297 20 10 BDCDHM C[C@@]1(O)C[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000842271021 588010613 /nfs/dbraw/zinc/01/06/13/588010613.db2.gz UQNRYCMJRCVMKJ-XGAOUMNUSA-N -1 3 227.285 1.097 20 10 BDCDHM CN(Cc1cnsn1)Cc1ccccc1[O-] ZINC000846823810 588291075 /nfs/dbraw/zinc/29/10/75/588291075.db2.gz ADKCTAWEYZUFIQ-UHFFFAOYSA-N -1 3 235.312 1.876 20 10 BDCDHM COC(=O)CN(Cc1ccc(C)cc1[O-])C1CC1 ZINC000876801111 590243519 /nfs/dbraw/zinc/24/35/19/590243519.db2.gz VCMDKBWFZSDVPR-UHFFFAOYSA-N -1 3 249.310 1.838 20 10 BDCDHM O=C(Nc1cccnc1)c1cccc(O)c1[O-] ZINC000126194373 590246855 /nfs/dbraw/zinc/24/68/55/590246855.db2.gz STCRZUPMKMWKDD-UHFFFAOYSA-N -1 3 230.223 1.745 20 10 BDCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])n(C)n1 ZINC000126220965 590254966 /nfs/dbraw/zinc/25/49/66/590254966.db2.gz XLAJIFSMRRGFTJ-UHFFFAOYSA-N -1 3 247.254 1.392 20 10 BDCDHM Cc1ccc(CN[C@@H](C)c2nncn2C)c([O-])c1 ZINC000877016426 590269572 /nfs/dbraw/zinc/26/95/72/590269572.db2.gz GHWJWPJHWPQQDF-JTQLQIEISA-N -1 3 246.314 1.680 20 10 BDCDHM Cc1cccc([O-])c1CNCc1cnn(C)n1 ZINC000877522797 590347299 /nfs/dbraw/zinc/34/72/99/590347299.db2.gz RTTUXLBTKYRVDW-UHFFFAOYSA-N -1 3 232.287 1.119 20 10 BDCDHM [O-]c1cccc2c1CN(Cc1ccc(CO)o1)C2 ZINC000877702726 590395446 /nfs/dbraw/zinc/39/54/46/590395446.db2.gz FKOQVZGLEJCVCX-UHFFFAOYSA-N -1 3 245.278 1.993 20 10 BDCDHM [O-]c1cccc2c1CN(Cc1csnn1)C2 ZINC000877702724 590395880 /nfs/dbraw/zinc/39/58/80/590395880.db2.gz FIIVPKFUFYJLFU-UHFFFAOYSA-N -1 3 233.296 1.760 20 10 BDCDHM Cc1cc(CN2Cc3cccc([O-])c3C2)n(C)n1 ZINC000877702522 590396270 /nfs/dbraw/zinc/39/62/70/590396270.db2.gz ACFJZONWMFRWGT-UHFFFAOYSA-N -1 3 243.310 1.950 20 10 BDCDHM Cc1nnc(CNCc2ccccc2[O-])s1 ZINC000134665163 591945744 /nfs/dbraw/zinc/94/57/44/591945744.db2.gz RRQWMFBJLICXCK-UHFFFAOYSA-N -1 3 235.312 1.842 20 10 BDCDHM C[C@H]1C(=O)CCCN1C(=O)c1cc([O-])cs1 ZINC000885053084 592040173 /nfs/dbraw/zinc/04/01/73/592040173.db2.gz DAMQWUYIKRVIHM-ZETCQYMHSA-N -1 3 239.296 1.647 20 10 BDCDHM C[N@H+](Cc1cc(F)ccc1[O-])C(C)(C)C(=O)[O-] ZINC000234281524 605477565 /nfs/dbraw/zinc/47/75/65/605477565.db2.gz AQHDHDSIJCWPIV-UHFFFAOYSA-N -1 3 241.262 1.826 20 10 BDCDHM C[N@@H+](Cc1cc(F)ccc1[O-])C(C)(C)C(=O)[O-] ZINC000234281524 605477569 /nfs/dbraw/zinc/47/75/69/605477569.db2.gz AQHDHDSIJCWPIV-UHFFFAOYSA-N -1 3 241.262 1.826 20 10 BDCDHM C[C@@H]1C[N@H+](Cc2ccccc2[O-])CC[C@H]1C(=O)[O-] ZINC000306071588 643287290 /nfs/dbraw/zinc/28/72/90/643287290.db2.gz WQWCDUSQPDYHJX-ZYHUDNBSSA-N -1 3 249.310 1.935 20 10 BDCDHM C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@H]1C(=O)[O-] ZINC000306071588 643287296 /nfs/dbraw/zinc/28/72/96/643287296.db2.gz WQWCDUSQPDYHJX-ZYHUDNBSSA-N -1 3 249.310 1.935 20 10 BDCDHM CO[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928711659 711786171 /nfs/dbraw/zinc/78/61/71/711786171.db2.gz KVAXZLLELQJHIW-ZETCQYMHSA-N -1 3 227.235 1.182 20 10 BDCDHM [O-]c1c(F)cc(F)cc1CN1CCCOCC1 ZINC000708413766 712193540 /nfs/dbraw/zinc/19/35/40/712193540.db2.gz NTNORTGCCRABGP-UHFFFAOYSA-N -1 3 243.253 1.893 20 10 BDCDHM C[C@H]1CC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000309445877 711682447 /nfs/dbraw/zinc/68/24/47/711682447.db2.gz PLSKMDNDHXRABW-IONNQARKSA-N -1 3 221.256 1.626 20 10 BDCDHM Cc1cccc([O-])c1C[N@H+](C)CC(=O)[O-] ZINC001605344987 979858057 /nfs/dbraw/zinc/85/80/57/979858057.db2.gz KRBKDMQVKLNKIC-UHFFFAOYSA-N -1 3 209.245 1.217 20 10 BDCDHM Cc1cccc([O-])c1C[N@@H+](C)CC(=O)[O-] ZINC001605344987 979858060 /nfs/dbraw/zinc/85/80/60/979858060.db2.gz KRBKDMQVKLNKIC-UHFFFAOYSA-N -1 3 209.245 1.217 20 10 BDCDHM CC/C=C/NC(=O)c1cccc(O)c1[O-] ZINC001148224593 973817421 /nfs/dbraw/zinc/81/74/21/973817421.db2.gz QKMBKQSFVSPNAJ-XVNBXDOJSA-N -1 3 207.229 1.751 20 10 BDCDHM O=C([O-])CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000309542011 967938674 /nfs/dbraw/zinc/93/86/74/967938674.db2.gz YNDYXJAHJBGXRZ-VIFPVBQESA-N -1 3 221.256 1.444 20 10 BDCDHM O=C(N[C@@H]1C[C@H]1C1CC1)c1cc(O)c([O-])c(O)c1 ZINC001148590549 973873644 /nfs/dbraw/zinc/87/36/44/973873644.db2.gz MHIXJFGAUXEOKY-DTWKUNHWSA-N -1 3 249.266 1.332 20 10 BDCDHM O=C(NCc1ccc[nH]1)c1cc(O)c([O-])c(O)c1 ZINC001148590056 973874522 /nfs/dbraw/zinc/87/45/22/973874522.db2.gz WRHUANALPRPZPP-UHFFFAOYSA-N -1 3 248.238 1.062 20 10 BDCDHM Cc1ncc(C(=O)NCc2c([O-])cccc2F)[nH]1 ZINC001596912603 978275246 /nfs/dbraw/zinc/27/52/46/978275246.db2.gz PPPNKMDFWPMZBK-UHFFFAOYSA-N -1 3 249.245 1.493 20 10 BDCDHM Cc1cccc([O-])c1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001600543485 978701639 /nfs/dbraw/zinc/70/16/39/978701639.db2.gz YWLCDJMWQJUTAY-QWRGUYRKSA-N -1 3 249.310 1.996 20 10 BDCDHM Cc1cccc([O-])c1C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001600543485 978701647 /nfs/dbraw/zinc/70/16/47/978701647.db2.gz YWLCDJMWQJUTAY-QWRGUYRKSA-N -1 3 249.310 1.996 20 10 BDCDHM CCN(CC)C(=O)c1cc(O)c([O-])c(O)c1 ZINC000514269331 980027989 /nfs/dbraw/zinc/02/79/89/980027989.db2.gz LENOBBXKOFTVDC-UHFFFAOYSA-N -1 3 225.244 1.285 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)c1cn[nH]c1 ZINC001471974837 987155054 /nfs/dbraw/zinc/15/50/54/987155054.db2.gz LQBDFEZDLLZGJO-UHFFFAOYSA-N -1 3 235.218 1.184 20 10 BDCDHM C[C@@H]1C[C@H]1c1nnc(-c2cc(O)c([O-])c(O)c2)o1 ZINC001256626659 987251617 /nfs/dbraw/zinc/25/16/17/987251617.db2.gz SRQIHASFVOXPSA-IYSWYEEDSA-N -1 3 248.238 1.977 20 10 BDCDHM Cc1ccc(C(=O)N2C[C@@H](C)[C@H]2C)c([O-])c1O ZINC000293893030 178398282 /nfs/dbraw/zinc/39/82/82/178398282.db2.gz BSLZIYNTTPAXQH-RKDXNWHRSA-N -1 3 235.283 1.887 20 10 BDCDHM CSCCCNC(=O)c1cccc(O)c1[O-] ZINC000163275018 384784575 /nfs/dbraw/zinc/78/45/75/384784575.db2.gz CKYNNVLXQNTWNR-UHFFFAOYSA-N -1 3 241.312 1.581 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2CCC[C@@H]2C1 ZINC000126504967 384801579 /nfs/dbraw/zinc/80/15/79/384801579.db2.gz DILCPHXNVLVRLD-AOOOYVTPSA-N -1 3 247.294 1.970 20 10 BDCDHM CN(Cc1cnn(C)c1)Cc1cc(F)ccc1[O-] ZINC000179888217 385497462 /nfs/dbraw/zinc/49/74/62/385497462.db2.gz GZBZUKALYWLMSS-UHFFFAOYSA-N -1 3 249.289 1.897 20 10 BDCDHM C[C@H](CF)NC(=O)c1cccc(O)c1[O-] ZINC000288371089 386191715 /nfs/dbraw/zinc/19/17/15/386191715.db2.gz UXIOHQQPYYCXTE-ZCFIWIBFSA-N -1 3 213.208 1.186 20 10 BDCDHM Cc1ccc(C(=O)NOCC2CC2)c([O-])c1O ZINC000293793608 386880062 /nfs/dbraw/zinc/88/00/62/386880062.db2.gz OXQOHVQOQYJGCW-UHFFFAOYSA-N -1 3 237.255 1.478 20 10 BDCDHM O=C1OC[C@H]2CN(Cc3ccccc3[O-])CCN12 ZINC000361054146 397971393 /nfs/dbraw/zinc/97/13/93/397971393.db2.gz UDLMJAZLARUOAW-LLVKDONJSA-N -1 3 248.282 1.029 20 10 BDCDHM COCCN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272830957 174274267 /nfs/dbraw/zinc/27/42/67/174274267.db2.gz PXAMKHCROWADGX-UHFFFAOYSA-N -1 3 239.271 1.125 20 10 BDCDHM CN(CC1(CO)CC1)C(=O)c1cc([O-])cs1 ZINC000844138192 582575586 /nfs/dbraw/zinc/57/55/86/582575586.db2.gz AFHHBCPXHWKPAC-UHFFFAOYSA-N -1 3 241.312 1.298 20 10 BDCDHM [O-]c1ccccc1CN1CCCn2nncc2C1 ZINC000895757546 583721372 /nfs/dbraw/zinc/72/13/72/583721372.db2.gz XJOBRIILCDQHFR-UHFFFAOYSA-N -1 3 244.298 1.390 20 10 BDCDHM Cc1ccc(CN[C@H]2CCOC2=O)c([O-])c1 ZINC000895807823 583732808 /nfs/dbraw/zinc/73/28/08/583732808.db2.gz CXEXIWJGPJJFCV-JTQLQIEISA-N -1 3 221.256 1.106 20 10 BDCDHM CO[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000895969045 583755416 /nfs/dbraw/zinc/75/54/16/583755416.db2.gz VUBNUMIJOISOKD-LBPRGKRZSA-N -1 3 241.262 1.336 20 10 BDCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H]1O ZINC000897684875 584040386 /nfs/dbraw/zinc/04/03/86/584040386.db2.gz YHTRMTLNWXJSSK-PELKAZGASA-N -1 3 241.718 1.858 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)N1CCCC1 ZINC000902944323 584696108 /nfs/dbraw/zinc/69/61/08/584696108.db2.gz FJBIPRWYKCZVNU-UHFFFAOYSA-N -1 3 238.262 1.837 20 10 BDCDHM Cc1cc(NC(=O)c2cc([O-])cs2)ccn1 ZINC000732261278 584935025 /nfs/dbraw/zinc/93/50/25/584935025.db2.gz GHIBSIDJHXEHCA-UHFFFAOYSA-N -1 3 234.280 1.831 20 10 BDCDHM C[C@@H]1C[C@@H]1CNC(=O)c1cc([O-])cs1 ZINC000732269649 584935275 /nfs/dbraw/zinc/93/52/75/584935275.db2.gz GVVHOSGSIQXJGC-RNFRBKRXSA-N -1 3 211.286 1.840 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCCOCC1 ZINC000732279775 584936040 /nfs/dbraw/zinc/93/60/40/584936040.db2.gz YQLQNYQBTNJRCP-UHFFFAOYSA-N -1 3 227.285 1.316 20 10 BDCDHM Cc1ccc(C(=O)N[C@@H]2CC23CC3)c([O-])c1O ZINC000819626815 585004442 /nfs/dbraw/zinc/00/44/42/585004442.db2.gz HAXABBISINMAFI-SECBINFHSA-N -1 3 233.267 1.689 20 10 BDCDHM Cc1ccc(C(=O)N[C@H]2CC23CC3)c([O-])c1O ZINC000819626816 585004480 /nfs/dbraw/zinc/00/44/80/585004480.db2.gz HAXABBISINMAFI-VIFPVBQESA-N -1 3 233.267 1.689 20 10 BDCDHM CC1(CO)CN(Cc2c([O-])cccc2Cl)C1 ZINC000839145091 585092120 /nfs/dbraw/zinc/09/21/20/585092120.db2.gz HSXUCTIYGVHMCL-UHFFFAOYSA-N -1 3 241.718 1.860 20 10 BDCDHM COC1CN(Cc2cc(F)ccc2[O-])C1 ZINC000839131619 585093540 /nfs/dbraw/zinc/09/35/40/585093540.db2.gz XGIKVHIJXDRSIL-UHFFFAOYSA-N -1 3 211.236 1.362 20 10 BDCDHM CCC(O)(CC)CNC(=O)c1cc([O-])cs1 ZINC000743712829 585138839 /nfs/dbraw/zinc/13/88/39/585138839.db2.gz WDGBHJAKGUZXCK-UHFFFAOYSA-N -1 3 243.328 1.735 20 10 BDCDHM CC(C)[C@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000743713771 585138878 /nfs/dbraw/zinc/13/88/78/585138878.db2.gz YFRVNOVEUSEZTD-LLVKDONJSA-N -1 3 243.328 1.591 20 10 BDCDHM Oc1ccccc1CN=c1ncnc2[nH][n-]cc1-2 ZINC000748307779 585190469 /nfs/dbraw/zinc/19/04/69/585190469.db2.gz MDWDHEGAQKRDKP-UHFFFAOYSA-N -1 3 241.254 1.044 20 10 BDCDHM O=C(NCc1ncc[nH]1)c1cc([O-])cs1 ZINC000748315407 585190628 /nfs/dbraw/zinc/19/06/28/585190628.db2.gz VBJHWDDGIAWBNA-UHFFFAOYSA-N -1 3 223.257 1.107 20 10 BDCDHM CC[C@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000748355409 585191573 /nfs/dbraw/zinc/19/15/73/585191573.db2.gz KEQXIGHXBDVQLA-JTQLQIEISA-N -1 3 229.301 1.345 20 10 BDCDHM C[C@@H](CNC(=O)c1cc([O-])cs1)C[C@H](C)O ZINC000748375766 585192056 /nfs/dbraw/zinc/19/20/56/585192056.db2.gz NDEAFWMGCPLENE-SFYZADRCSA-N -1 3 243.328 1.591 20 10 BDCDHM C[C@H]1OCC[C@@]1(C)NC(=O)c1cc([O-])cs1 ZINC000753504973 585259962 /nfs/dbraw/zinc/25/99/62/585259962.db2.gz WRQYHMUYSRPBEU-RDDDGLTNSA-N -1 3 241.312 1.751 20 10 BDCDHM COc1cccc([O-])c1CN1CC(F)C1 ZINC000753575585 585262334 /nfs/dbraw/zinc/26/23/34/585262334.db2.gz HXYOSYLPCPVNKQ-UHFFFAOYSA-N -1 3 211.236 1.555 20 10 BDCDHM CC1(O)CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000760141333 585385878 /nfs/dbraw/zinc/38/58/78/585385878.db2.gz RIRMTIHZWGUETC-UHFFFAOYSA-N -1 3 241.312 1.441 20 10 BDCDHM C[C@@H]1OCCN(C(=O)c2cc([O-])cs2)[C@H]1C ZINC000768258306 585534811 /nfs/dbraw/zinc/53/48/11/585534811.db2.gz OAUGQKPDNDRFKY-YUMQZZPRSA-N -1 3 241.312 1.703 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCC[C@H](CO)C1 ZINC000768943321 585546776 /nfs/dbraw/zinc/54/67/76/585546776.db2.gz BBUXBTBLTPRUSQ-QMMMGPOBSA-N -1 3 241.312 1.298 20 10 BDCDHM CC(C)C[C@H](O)CNC(=O)c1cc([O-])cs1 ZINC000771051112 585588784 /nfs/dbraw/zinc/58/87/84/585588784.db2.gz TWNMJGBFIXTVIA-QMMMGPOBSA-N -1 3 243.328 1.591 20 10 BDCDHM CCn1ncnc1CN[C@@H](C)c1ccccc1[O-] ZINC000785773580 585880499 /nfs/dbraw/zinc/88/04/99/585880499.db2.gz DYLPEUDWCJIMEV-JTQLQIEISA-N -1 3 246.314 1.854 20 10 BDCDHM [O-]c1ccccc1CN1C[C@H](O)CC(F)(F)C1 ZINC000787437721 585909512 /nfs/dbraw/zinc/90/95/12/585909512.db2.gz BDKASXQGGVPVAM-SNVBAGLBSA-N -1 3 243.253 1.594 20 10 BDCDHM O=C(N[C@@H]1C[C@H]1C1CC1)c1cc([O-])cs1 ZINC000798117868 586137634 /nfs/dbraw/zinc/13/76/34/586137634.db2.gz PHOCLOJZOAANJD-DTWKUNHWSA-N -1 3 223.297 1.982 20 10 BDCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)C1CC1 ZINC000798615825 586146478 /nfs/dbraw/zinc/14/64/78/586146478.db2.gz MTDVGZFMPMDGKE-ZCFIWIBFSA-N -1 3 240.280 1.978 20 10 BDCDHM [O-]c1ccccc1CN1CCO[C@H](C(F)F)C1 ZINC000802653973 586307632 /nfs/dbraw/zinc/30/76/32/586307632.db2.gz BJRXCYXZVDJSTL-NSHDSACASA-N -1 3 243.253 1.858 20 10 BDCDHM CN(CCF)Cc1cc(F)ccc1[O-] ZINC000816640044 586746901 /nfs/dbraw/zinc/74/69/01/586746901.db2.gz QSBBQMPRWNZHAT-UHFFFAOYSA-N -1 3 201.216 1.933 20 10 BDCDHM Cc1cc([O-])c(CN2CC[C@@H](O)C2)cc1Cl ZINC000824548854 587275222 /nfs/dbraw/zinc/27/52/22/587275222.db2.gz SJZRSAKIEJIOKM-SNVBAGLBSA-N -1 3 241.718 1.921 20 10 BDCDHM C[C@H](NC(=O)c1cc([O-])cs1)C(C)(C)O ZINC000829444744 587497794 /nfs/dbraw/zinc/49/77/94/587497794.db2.gz BEJBKFJVQGJEDA-LURJTMIESA-N -1 3 229.301 1.343 20 10 BDCDHM CC[C@@H](CO)N(C)C(=O)c1cc([O-])cs1 ZINC000833337024 587706663 /nfs/dbraw/zinc/70/66/63/587706663.db2.gz MBHTXRYJTCTLCE-ZETCQYMHSA-N -1 3 229.301 1.297 20 10 BDCDHM Cc1cc([O-])c(CN(C)CC(N)=O)c(Cl)c1 ZINC000840909935 587929857 /nfs/dbraw/zinc/92/98/57/587929857.db2.gz IUMIRFOYTIVVRF-UHFFFAOYSA-N -1 3 242.706 1.271 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CCO[C@H](CF)C1 ZINC000840955750 587931965 /nfs/dbraw/zinc/93/19/65/587931965.db2.gz YOVQOIQLSBYYLX-LLVKDONJSA-N -1 3 243.253 1.702 20 10 BDCDHM Nc1ccc(NC([O-])=NOC2CCC2)cc1 ZINC000841300293 587950512 /nfs/dbraw/zinc/95/05/12/587950512.db2.gz TWWBQGNKVWTPJS-UHFFFAOYSA-N -1 3 221.260 1.874 20 10 BDCDHM Nc1ccc(NC(=O)[N-]OC2CCC2)cc1 ZINC000841300293 587950513 /nfs/dbraw/zinc/95/05/13/587950513.db2.gz TWWBQGNKVWTPJS-UHFFFAOYSA-N -1 3 221.260 1.874 20 10 BDCDHM COC[C@H](COC(=O)c1cc([O-])cs1)OC ZINC000849728451 588490813 /nfs/dbraw/zinc/49/08/13/588490813.db2.gz SHGXTERDWGKYDS-MRVPVSSYSA-N -1 3 246.284 1.272 20 10 BDCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1C[C@H](O)C1 ZINC000850417509 588544774 /nfs/dbraw/zinc/54/47/74/588544774.db2.gz ARHIJMHXEDOGNJ-LJGSYFOKSA-N -1 3 245.681 1.798 20 10 BDCDHM COc1cccc([O-])c1CNCc1conc1C ZINC000865679083 589455840 /nfs/dbraw/zinc/45/58/40/589455840.db2.gz XKUWUCGQERBEIN-UHFFFAOYSA-N -1 3 248.282 1.987 20 10 BDCDHM Cc1cc([O-])c(C[NH2+][C@H]2C[C@H](C(=O)[O-])C2)cc1C ZINC000874053255 590087666 /nfs/dbraw/zinc/08/76/66/590087666.db2.gz GOVBHOYSPMZYJE-UMSPYCQHSA-N -1 3 249.310 1.962 20 10 BDCDHM Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000874049782 590087738 /nfs/dbraw/zinc/08/77/38/590087738.db2.gz GKWDUICGJKVOIN-GFCCVEGCSA-N -1 3 249.310 1.997 20 10 BDCDHM Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000874049782 590087741 /nfs/dbraw/zinc/08/77/41/590087741.db2.gz GKWDUICGJKVOIN-GFCCVEGCSA-N -1 3 249.310 1.997 20 10 BDCDHM O=C([O-])[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000874055585 590089077 /nfs/dbraw/zinc/08/90/77/590089077.db2.gz ZQWMGHIWUHJQCN-GVJMRKKJSA-N -1 3 239.246 1.484 20 10 BDCDHM O=C(NCc1ccccn1)c1cccc(O)c1[O-] ZINC000126228946 590255171 /nfs/dbraw/zinc/25/51/71/590255171.db2.gz TVYFECIRJIOENG-UHFFFAOYSA-N -1 3 244.250 1.423 20 10 BDCDHM C[C@@H](C1CC1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000126262723 590262258 /nfs/dbraw/zinc/26/22/58/590262258.db2.gz WDBIDGKUEXMHPX-QMMMGPOBSA-N -1 3 235.283 1.968 20 10 BDCDHM Cc1ccc(CN2CC(C)(O)C2)c([O-])c1 ZINC000877581358 590365370 /nfs/dbraw/zinc/36/53/70/590365370.db2.gz YVNCNCJLPNUZPU-UHFFFAOYSA-N -1 3 207.273 1.267 20 10 BDCDHM CC1(NCc2cc(F)ccc2[O-])COC1 ZINC000877691115 590393254 /nfs/dbraw/zinc/39/32/54/590393254.db2.gz IYYCQOBXASILAP-UHFFFAOYSA-N -1 3 211.236 1.410 20 10 BDCDHM O=C(NC1CSC1)c1cc([O-])cs1 ZINC000880735893 591135404 /nfs/dbraw/zinc/13/54/04/591135404.db2.gz XWNDCIFOVMZGDF-UHFFFAOYSA-N -1 3 215.299 1.299 20 10 BDCDHM C[C@H]1C(=O)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000885052248 592040469 /nfs/dbraw/zinc/04/04/69/592040469.db2.gz PKICPKYSHSYIGL-QMMMGPOBSA-N -1 3 249.266 1.291 20 10 BDCDHM C[C@@H](NC/C=C/CO)c1c([O-])cccc1F ZINC000886636069 592284484 /nfs/dbraw/zinc/28/44/84/592284484.db2.gz FSWKWNILDIJVJU-GKQMSVHHSA-N -1 3 225.263 1.730 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)C1CC(=O)C1 ZINC000928706221 636341340 /nfs/dbraw/zinc/34/13/40/636341340.db2.gz SXAPVZRDWIBIQE-UHFFFAOYSA-N -1 3 237.230 1.127 20 10 BDCDHM CCN(CC(C)=O)C(=O)c1cccc(O)c1[O-] ZINC000908387531 638701234 /nfs/dbraw/zinc/70/12/34/638701234.db2.gz CBWGLIJHJKBIFU-UHFFFAOYSA-N -1 3 237.255 1.149 20 10 BDCDHM CC1(C)C[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000229315608 640947023 /nfs/dbraw/zinc/94/70/23/640947023.db2.gz MUGUPMMFVDZYDY-MRVPVSSYSA-N -1 3 235.283 1.874 20 10 BDCDHM C[C@H]1CC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000309445876 711682636 /nfs/dbraw/zinc/68/26/36/711682636.db2.gz PLSKMDNDHXRABW-CBAPKCEASA-N -1 3 221.256 1.626 20 10 BDCDHM CS[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928712721 711786197 /nfs/dbraw/zinc/78/61/97/711786197.db2.gz XMJXGSWQMROWSZ-ZETCQYMHSA-N -1 3 243.303 1.899 20 10 BDCDHM Oc1ccc(CNc2ccc(=S)[n-]n2)cc1O ZINC001169990557 969951853 /nfs/dbraw/zinc/95/18/53/969951853.db2.gz JFWZQNBXVSWZTD-UHFFFAOYSA-N -1 3 249.295 1.789 20 10 BDCDHM O=C(N[C@H]1CC=CCC1)c1cc(O)c([O-])c(O)c1 ZINC001148591079 973873172 /nfs/dbraw/zinc/87/31/72/973873172.db2.gz SWQACLXIZIOAQA-VIFPVBQESA-N -1 3 249.266 1.642 20 10 BDCDHM O=C([O-])c1ccc(CN2CC[C@@H](F)C2)c(O)c1 ZINC001231445868 977590441 /nfs/dbraw/zinc/59/04/41/977590441.db2.gz BYADKRXRIJTYCF-SNVBAGLBSA-N -1 3 239.246 1.634 20 10 BDCDHM Cc1ccc(C[N@H+](C)CCCC(=O)[O-])c([O-])c1 ZINC001605273295 979848646 /nfs/dbraw/zinc/84/86/46/979848646.db2.gz YLGVIBDOQFSLLE-UHFFFAOYSA-N -1 3 237.299 1.997 20 10 BDCDHM Cc1ccc(C[N@@H+](C)CCCC(=O)[O-])c([O-])c1 ZINC001605273295 979848648 /nfs/dbraw/zinc/84/86/48/979848648.db2.gz YLGVIBDOQFSLLE-UHFFFAOYSA-N -1 3 237.299 1.997 20 10 BDCDHM O=C(Cc1ccoc1)NCc1c([O-])cccc1F ZINC001558454731 990945475 /nfs/dbraw/zinc/94/54/75/990945475.db2.gz LEOYSGWCPHDNDN-UHFFFAOYSA-N -1 3 249.241 1.983 20 10 BDCDHM O=C1CCN(Cc2cc(F)ccc2[O-])C[C@@H]1F ZINC001140055443 991511470 /nfs/dbraw/zinc/51/14/70/991511470.db2.gz YQHRGDXHGMZJKP-JTQLQIEISA-N -1 3 241.237 1.644 20 10 BDCDHM CCC[N@H+](CC(=O)[O-])Cc1ccc(C)cc1[O-] ZINC001573854093 992736008 /nfs/dbraw/zinc/73/60/08/992736008.db2.gz OQPFRHQGNXWQNI-UHFFFAOYSA-N -1 3 237.299 1.997 20 10 BDCDHM CCC[N@@H+](CC(=O)[O-])Cc1ccc(C)cc1[O-] ZINC001573854093 992736014 /nfs/dbraw/zinc/73/60/14/992736014.db2.gz OQPFRHQGNXWQNI-UHFFFAOYSA-N -1 3 237.299 1.997 20 10 BDCDHM COCC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599244366 998114273 /nfs/dbraw/zinc/11/42/73/998114273.db2.gz IGJYTKVDMBBHDC-QMMMGPOBSA-N -1 3 239.271 1.387 20 10 BDCDHM O=C(NC1CCOCC1)c1cccc(O)c1[O-] ZINC000126266619 182118223 /nfs/dbraw/zinc/11/82/23/182118223.db2.gz GOQMAQHOVBBMSR-UHFFFAOYSA-N -1 3 237.255 1.007 20 10 BDCDHM [O-]c1c(F)cccc1CN1C[C@@H](F)C[C@H]1CO ZINC000372647772 183129390 /nfs/dbraw/zinc/12/93/90/183129390.db2.gz JDUAKHBWANJICM-UWVGGRQHSA-N -1 3 243.253 1.436 20 10 BDCDHM [O-]c1ccccc1CN1CC(F)(F)C[C@@H]1CO ZINC000364838859 183147522 /nfs/dbraw/zinc/14/75/22/183147522.db2.gz AHIXAIXJFKJYMW-SNVBAGLBSA-N -1 3 243.253 1.594 20 10 BDCDHM CCCN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000177677194 169061153 /nfs/dbraw/zinc/06/11/53/169061153.db2.gz KMHWANUECVKDHK-UHFFFAOYSA-N -1 3 223.272 1.888 20 10 BDCDHM CCCN(C)C(=O)c1cccc(O)c1[O-] ZINC000163269993 169062297 /nfs/dbraw/zinc/06/22/97/169062297.db2.gz IKWPZIKOFPFIMV-UHFFFAOYSA-N -1 3 209.245 1.580 20 10 BDCDHM Cc1ccc([C@H](C)NCc2nncn2C)c([O-])c1 ZINC000038007642 384053760 /nfs/dbraw/zinc/05/37/60/384053760.db2.gz GZDRMVLIADARNF-JTQLQIEISA-N -1 3 246.314 1.680 20 10 BDCDHM CN(Cc1ccccc1[O-])[C@H]1CCOC1=O ZINC000109769946 385190226 /nfs/dbraw/zinc/19/02/26/385190226.db2.gz GTTAUPDDVZXOKF-JTQLQIEISA-N -1 3 221.256 1.140 20 10 BDCDHM C[C@@]1(NCc2ccccc2[O-])CCOC1=O ZINC000289746923 385357407 /nfs/dbraw/zinc/35/74/07/385357407.db2.gz HYWXJBLVMBEBBS-GFCCVEGCSA-N -1 3 221.256 1.187 20 10 BDCDHM CCN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000179420021 385465353 /nfs/dbraw/zinc/46/53/53/385465353.db2.gz BHCAUGYBNVYMQK-UHFFFAOYSA-N -1 3 209.245 1.498 20 10 BDCDHM COC(=O)[C@@H]1CCCCN1Cc1ccccc1[O-] ZINC000179558510 385473461 /nfs/dbraw/zinc/47/34/61/385473461.db2.gz BRBMZGSBAFYQNF-LBPRGKRZSA-N -1 3 249.310 1.920 20 10 BDCDHM COC[C@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000179577480 385476347 /nfs/dbraw/zinc/47/63/47/385476347.db2.gz NAZONRWAQRCMCL-GFCCVEGCSA-N -1 3 237.299 1.239 20 10 BDCDHM CN(CC(=O)NCC1CC1)Cc1ccccc1[O-] ZINC000171926891 385533723 /nfs/dbraw/zinc/53/37/23/385533723.db2.gz FHULLSHNUKKJJW-UHFFFAOYSA-N -1 3 248.326 1.350 20 10 BDCDHM COCC[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126445755 387682288 /nfs/dbraw/zinc/68/22/88/387682288.db2.gz HLYGXWSMCWEILE-QMMMGPOBSA-N -1 3 239.271 1.253 20 10 BDCDHM CC[C@H](C(=O)[O-])[N@H+](C)Cc1ccccc1[O-] ZINC000083414712 171236463 /nfs/dbraw/zinc/23/64/63/171236463.db2.gz CULVRXMFQQFEOZ-SNVBAGLBSA-N -1 3 223.272 1.687 20 10 BDCDHM CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[O-] ZINC000083414712 171236464 /nfs/dbraw/zinc/23/64/64/171236464.db2.gz CULVRXMFQQFEOZ-SNVBAGLBSA-N -1 3 223.272 1.687 20 10 BDCDHM C[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000732283346 584935969 /nfs/dbraw/zinc/93/59/69/584935969.db2.gz HOHUJMYTOWAUCT-ZETCQYMHSA-N -1 3 211.286 1.936 20 10 BDCDHM O=C(NCC12CC(C1)CO2)c1cccc(O)c1[O-] ZINC000529872620 324423040 /nfs/dbraw/zinc/42/30/40/324423040.db2.gz NUPORMYHSKAAQB-UHFFFAOYSA-N -1 3 249.266 1.007 20 10 BDCDHM CC(C)[C@@](C)(CO)NC(=O)c1cc([O-])cs1 ZINC000854527014 588790444 /nfs/dbraw/zinc/79/04/44/588790444.db2.gz OLLUYTJAQYKJEB-LLVKDONJSA-N -1 3 243.328 1.591 20 10 BDCDHM CC[C@H](NC(=O)c1cc([O-])cs1)C(C)(C)O ZINC000854662511 588799978 /nfs/dbraw/zinc/79/99/78/588799978.db2.gz CULMEXGYUJXPIP-VIFPVBQESA-N -1 3 243.328 1.733 20 10 BDCDHM [O-]c1ccccc1CN1CCO[C@H](CF)C1 ZINC000840955297 583183356 /nfs/dbraw/zinc/18/33/56/583183356.db2.gz UDWLSMNUDZHUPN-LLVKDONJSA-N -1 3 225.263 1.563 20 10 BDCDHM [O-]c1c(CN2C[C@H]3C[C@@]3(O)C2)ccc(F)c1F ZINC000895645661 583700675 /nfs/dbraw/zinc/70/06/75/583700675.db2.gz RZBGOFYUHCLHNF-PRHODGIISA-N -1 3 241.237 1.237 20 10 BDCDHM Cc1n[nH]cc1CNCc1c([O-])cccc1F ZINC000896639209 583819917 /nfs/dbraw/zinc/81/99/17/583819917.db2.gz BAUMINKFQQBCSV-UHFFFAOYSA-N -1 3 235.262 1.853 20 10 BDCDHM Cn1cncc1CNCc1c([O-])cccc1F ZINC000896639784 583820406 /nfs/dbraw/zinc/82/04/06/583820406.db2.gz GRYAZVYIYSPGPQ-UHFFFAOYSA-N -1 3 235.262 1.555 20 10 BDCDHM CO[C@H](C)CNC(=O)c1cc([O-])cs1 ZINC000785427381 584007661 /nfs/dbraw/zinc/00/76/61/584007661.db2.gz MVWYYVPXKNSHMY-ZCFIWIBFSA-N -1 3 215.274 1.218 20 10 BDCDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@@H]1O ZINC000897675627 584035535 /nfs/dbraw/zinc/03/55/35/584035535.db2.gz AXLIZIICRFTAPO-HQJQHLMTSA-N -1 3 243.253 1.483 20 10 BDCDHM COc1cccc([O-])c1CNCc1cocn1 ZINC000730819059 584916895 /nfs/dbraw/zinc/91/68/95/584916895.db2.gz JNXGPPXMZTVKRU-UHFFFAOYSA-N -1 3 234.255 1.679 20 10 BDCDHM O=C(NC[C@H]1CCCO1)c1cc([O-])cs1 ZINC000731863891 584929794 /nfs/dbraw/zinc/92/97/94/584929794.db2.gz JBWIPYNQSVFCJG-MRVPVSSYSA-N -1 3 227.285 1.363 20 10 BDCDHM C[C@@H]1COCCN1C(=O)c1cc([O-])cs1 ZINC000731868540 584930923 /nfs/dbraw/zinc/93/09/23/584930923.db2.gz IXSNLTTYBVIVTN-SSDOTTSWSA-N -1 3 227.285 1.315 20 10 BDCDHM O=C(Nc1ccc[nH]c1=O)c1cc([O-])cs1 ZINC000732280890 584936032 /nfs/dbraw/zinc/93/60/32/584936032.db2.gz ULEIFZUQAHWFMG-UHFFFAOYSA-N -1 3 236.252 1.807 20 10 BDCDHM CC(C)[C@H](OC(=O)c1cc([O-])cs1)C(N)=O ZINC000732353828 584936234 /nfs/dbraw/zinc/93/62/34/584936234.db2.gz ASLGYWFMNKMKDP-QMMMGPOBSA-N -1 3 243.284 1.120 20 10 BDCDHM COCCCOC(=O)c1cc([O-])cs1 ZINC000733497298 584949974 /nfs/dbraw/zinc/94/99/74/584949974.db2.gz SFESUSRPGWUGTN-UHFFFAOYSA-N -1 3 216.258 1.647 20 10 BDCDHM CC1(CO)CN(Cc2cc(F)ccc2[O-])C1 ZINC000839145679 585092272 /nfs/dbraw/zinc/09/22/72/585092272.db2.gz QBVLUXJTUUZHJS-UHFFFAOYSA-N -1 3 225.263 1.346 20 10 BDCDHM COC[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000740128254 585094414 /nfs/dbraw/zinc/09/44/14/585094414.db2.gz MWBJDYGPZPEISK-QMMMGPOBSA-N -1 3 241.312 1.562 20 10 BDCDHM O=C(NCc1ccon1)c1cc([O-])cs1 ZINC000747514782 585180490 /nfs/dbraw/zinc/18/04/90/585180490.db2.gz HZIPPPWIGWDJLI-UHFFFAOYSA-N -1 3 224.241 1.372 20 10 BDCDHM COC[C@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000752821473 585250609 /nfs/dbraw/zinc/25/06/09/585250609.db2.gz VADCQDGGGMBREF-MRVPVSSYSA-N -1 3 241.312 1.705 20 10 BDCDHM C[C@@H]1OCC[C@@]1(C)NC(=O)c1cc([O-])cs1 ZINC000753504976 585259995 /nfs/dbraw/zinc/25/99/95/585259995.db2.gz WRQYHMUYSRPBEU-WRWORJQWSA-N -1 3 241.312 1.751 20 10 BDCDHM O=C(COC(=O)c1cc([O-])cs1)C1CCC1 ZINC000754097123 585278194 /nfs/dbraw/zinc/27/81/94/585278194.db2.gz ZDJFXXFFLHUAQI-UHFFFAOYSA-N -1 3 240.280 1.980 20 10 BDCDHM O=C(NC[C@@H]1CCC[C@H]1O)c1cc([O-])cs1 ZINC000754904926 585292269 /nfs/dbraw/zinc/29/22/69/585292269.db2.gz BMFGOQZPTVUODB-IONNQARKSA-N -1 3 241.312 1.345 20 10 BDCDHM CCCN1CC(=O)N[C@@H]1c1cc(F)ccc1[O-] ZINC000840824797 585332875 /nfs/dbraw/zinc/33/28/75/585332875.db2.gz ORNORHBOEAIPFY-LBPRGKRZSA-N -1 3 238.262 1.372 20 10 BDCDHM CC[C@@H](NC(=O)c1cc([O-])cs1)[C@@H](C)O ZINC000839783350 585341929 /nfs/dbraw/zinc/34/19/29/585341929.db2.gz XDWINTFTYXVJGV-HTRCEHHLSA-N -1 3 229.301 1.343 20 10 BDCDHM C[C@@H](CO)CCCNC(=O)c1cc([O-])cs1 ZINC000760834149 585398947 /nfs/dbraw/zinc/39/89/47/585398947.db2.gz MGWBFYLBKKLYMP-MRVPVSSYSA-N -1 3 243.328 1.592 20 10 BDCDHM O=C(NCCc1ccncc1)c1cc([O-])cs1 ZINC000764319434 585463809 /nfs/dbraw/zinc/46/38/09/585463809.db2.gz WGUFQZIZJYNUKH-UHFFFAOYSA-N -1 3 248.307 1.821 20 10 BDCDHM CCn1ncnc1CN[C@H](C)c1ccccc1[O-] ZINC000785773583 585880375 /nfs/dbraw/zinc/88/03/75/585880375.db2.gz DYLPEUDWCJIMEV-SNVBAGLBSA-N -1 3 246.314 1.854 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CCCCCO1 ZINC000788569863 585927093 /nfs/dbraw/zinc/92/70/93/585927093.db2.gz HTZXTVSBOXPQEZ-UHFFFAOYSA-N -1 3 237.255 1.656 20 10 BDCDHM CO[C@H]1C[C@@H](N(C)C(=O)c2cc([O-])cs2)C1 ZINC000807675845 586447817 /nfs/dbraw/zinc/44/78/17/586447817.db2.gz JNRUIXZQITVILT-OTSSQURYSA-N -1 3 241.312 1.703 20 10 BDCDHM C[C@@H]1CSC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000807692530 586448428 /nfs/dbraw/zinc/44/84/28/586448428.db2.gz ZSIGOEPJJIKWNZ-SVRRBLITSA-N -1 3 243.353 1.935 20 10 BDCDHM CC(C)[C@H](CO)CNC(=O)c1cc([O-])cs1 ZINC000807777359 586448809 /nfs/dbraw/zinc/44/88/09/586448809.db2.gz OYYLYSUKBZAISH-QMMMGPOBSA-N -1 3 243.328 1.448 20 10 BDCDHM O=C(NOC/C=C\Cl)c1cccc(O)c1[O-] ZINC000812407834 586576551 /nfs/dbraw/zinc/57/65/51/586576551.db2.gz OMQJOHQBYDLLKY-DJWKRKHSSA-N -1 3 243.646 1.512 20 10 BDCDHM Cc1ccc([C@H](C)NCC(F)(F)CN)c([O-])c1 ZINC000817966259 586855471 /nfs/dbraw/zinc/85/54/71/586855471.db2.gz JTDKPHLMQSGJRD-VIFPVBQESA-N -1 3 244.285 1.945 20 10 BDCDHM Cc1cc([O-])c(C[NH2+]CCC(=O)[O-])cc1C ZINC000818849316 586914409 /nfs/dbraw/zinc/91/44/09/586914409.db2.gz RZFWKOVLUKIITE-UHFFFAOYSA-N -1 3 223.272 1.573 20 10 BDCDHM COC(=O)C(C)(C)NC(=O)c1cc([O-])cs1 ZINC000821722193 587135786 /nfs/dbraw/zinc/13/57/86/587135786.db2.gz IESUXCVBWBDHGV-UHFFFAOYSA-N -1 3 243.284 1.135 20 10 BDCDHM [O-]c1ccccc1CN1CC[C@@H](O)C(F)(F)C1 ZINC000826957914 587366760 /nfs/dbraw/zinc/36/67/60/587366760.db2.gz KTZYMZRDSXKPGO-LLVKDONJSA-N -1 3 243.253 1.594 20 10 BDCDHM CC(C)(C)[C@@H](CO)NC(=O)c1cc([O-])cs1 ZINC000831961346 587639278 /nfs/dbraw/zinc/63/92/78/587639278.db2.gz SPYNFILQXKUEDA-SECBINFHSA-N -1 3 243.328 1.591 20 10 BDCDHM CC1(C)OCC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000833655675 587727020 /nfs/dbraw/zinc/72/70/20/587727020.db2.gz FGYIOEWZVUCHJD-VIFPVBQESA-N -1 3 241.312 1.751 20 10 BDCDHM O=C(OC[C@@H]1COCCO1)c1cc([O-])cs1 ZINC000837513359 587879021 /nfs/dbraw/zinc/87/90/21/587879021.db2.gz GWBUJAWOGZQXBS-QMMMGPOBSA-N -1 3 244.268 1.026 20 10 BDCDHM COc1cccc([O-])c1CNCC(F)(F)CN ZINC000841059437 587940744 /nfs/dbraw/zinc/94/07/44/587940744.db2.gz DLGQATLTDVJMMG-UHFFFAOYSA-N -1 3 246.257 1.084 20 10 BDCDHM CN(CC1(C)COC1)C(=O)c1cc([O-])cs1 ZINC000862762854 589238274 /nfs/dbraw/zinc/23/82/74/589238274.db2.gz BIUWMGAZSHZMHY-UHFFFAOYSA-N -1 3 241.312 1.562 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CC2(C1)CCCO2 ZINC000862820806 589243065 /nfs/dbraw/zinc/24/30/65/589243065.db2.gz JFXOBSGLLVFAIO-UHFFFAOYSA-N -1 3 239.296 1.459 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N(C1CC1)C1CC1 ZINC000862851169 589243634 /nfs/dbraw/zinc/24/36/34/589243634.db2.gz CJGBUZFRKNUYMG-UHFFFAOYSA-N -1 3 233.267 1.865 20 10 BDCDHM Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H](C(=O)[O-])C2)cc1C ZINC000874046633 590087144 /nfs/dbraw/zinc/08/71/44/590087144.db2.gz GOVBHOYSPMZYJE-KLPPZKSPSA-N -1 3 249.310 1.962 20 10 BDCDHM Cc1ccc(CN2CCn3cnnc3C2)c([O-])c1 ZINC000876708383 590232812 /nfs/dbraw/zinc/23/28/12/590232812.db2.gz OLTNLBDEVBLVIW-UHFFFAOYSA-N -1 3 244.298 1.308 20 10 BDCDHM Cc1ccc(CN(CCO)CC(F)F)c([O-])c1 ZINC000877490667 590339817 /nfs/dbraw/zinc/33/98/17/590339817.db2.gz CMJLALCATNZYCY-UHFFFAOYSA-N -1 3 245.269 1.760 20 10 BDCDHM Cc1ccc(CN2CCO[C@@H]3C[C@@H]32)c([O-])c1 ZINC000877546504 590353253 /nfs/dbraw/zinc/35/32/53/590353253.db2.gz RMDKFRGGFOAKLG-WCQYABFASA-N -1 3 219.284 1.674 20 10 BDCDHM COc1cccc([O-])c1CNCc1ncc[nH]1 ZINC000877674901 590390434 /nfs/dbraw/zinc/39/04/34/590390434.db2.gz WQTDEUHXNXWUSR-UHFFFAOYSA-N -1 3 233.271 1.414 20 10 BDCDHM C[C@@H](N[C@H](C)c1ccccc1[O-])c1nnnn1C ZINC000879649484 590842461 /nfs/dbraw/zinc/84/24/61/590842461.db2.gz UMHUCJBMZLQTHT-RKDXNWHRSA-N -1 3 247.302 1.328 20 10 BDCDHM C[C@@H](N[C@@H](C)c1ccccc1[O-])c1nnnn1C ZINC000879650864 590843592 /nfs/dbraw/zinc/84/35/92/590843592.db2.gz UMHUCJBMZLQTHT-DTWKUNHWSA-N -1 3 247.302 1.328 20 10 BDCDHM CCN(CC(=O)N(C)C)Cc1ccccc1[O-] ZINC000133204685 591778433 /nfs/dbraw/zinc/77/84/33/591778433.db2.gz DXVANBXXKNILLF-UHFFFAOYSA-N -1 3 236.315 1.302 20 10 BDCDHM C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC000235206508 598212816 /nfs/dbraw/zinc/21/28/16/598212816.db2.gz KJKCQAHHXPTGKU-ZCFIWIBFSA-N -1 3 213.208 1.094 20 10 BDCDHM C[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccccc2[O-])C1 ZINC000086779474 604788413 /nfs/dbraw/zinc/78/84/13/604788413.db2.gz VLLYLIIKPBRYSC-CYBMUJFWSA-N -1 3 235.283 1.689 20 10 BDCDHM C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000086779474 604788417 /nfs/dbraw/zinc/78/84/17/604788417.db2.gz VLLYLIIKPBRYSC-CYBMUJFWSA-N -1 3 235.283 1.689 20 10 BDCDHM O=C(Nc1cc[nH]n1)c1cccc(O)c1[O-] ZINC000163284214 636374008 /nfs/dbraw/zinc/37/40/08/636374008.db2.gz WMONKHZYUYHAPA-UHFFFAOYSA-N -1 3 219.200 1.073 20 10 BDCDHM [O-]c1ccc(F)cc1CNCC(F)(F)CO ZINC000185661692 643348648 /nfs/dbraw/zinc/34/86/48/643348648.db2.gz JLDQEFWNTSYVQR-UHFFFAOYSA-N -1 3 235.205 1.249 20 10 BDCDHM O=C(NCCCCF)c1cccc(O)c1[O-] ZINC000390482470 711120675 /nfs/dbraw/zinc/12/06/75/711120675.db2.gz LYWAVJJOJGDPDW-UHFFFAOYSA-N -1 3 227.235 1.577 20 10 BDCDHM O=C([O-])[C@@H]1[C@@H]2CC[N@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC000721252967 711795715 /nfs/dbraw/zinc/79/57/15/711795715.db2.gz BYZIBSCKMWRTSV-NTZNESFSSA-N -1 3 247.294 1.545 20 10 BDCDHM O=C([O-])[C@@H]1[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC000721252967 711795716 /nfs/dbraw/zinc/79/57/16/711795716.db2.gz BYZIBSCKMWRTSV-NTZNESFSSA-N -1 3 247.294 1.545 20 10 BDCDHM O=C(NC[C@@H]1C=CCC1)c1cccc(O)c1[O-] ZINC000711703385 712318573 /nfs/dbraw/zinc/31/85/73/712318573.db2.gz KWOLIAXQOFVEJW-SECBINFHSA-N -1 3 233.267 1.794 20 10 BDCDHM O=C(N[C@@H]1C[C@H]1C1CC1)c1cccc(O)c1[O-] ZINC000717041103 712624743 /nfs/dbraw/zinc/62/47/43/712624743.db2.gz WIDRHKZWWNQPBN-VHSXEESVSA-N -1 3 233.267 1.626 20 10 BDCDHM O=C(N[C@H]1CC12CCC2)c1cccc(O)c1[O-] ZINC000721151594 712892996 /nfs/dbraw/zinc/89/29/96/712892996.db2.gz UWVKORMRFKJCLH-JTQLQIEISA-N -1 3 233.267 1.770 20 10 BDCDHM COc1cc([O-])c(CN2CC(=O)C2)cc1Cl ZINC001232269917 977984994 /nfs/dbraw/zinc/98/49/94/977984994.db2.gz NLEBPTKTABRXFZ-UHFFFAOYSA-N -1 3 241.674 1.439 20 10 BDCDHM CN(Cc1c([O-])ccc(F)c1F)[C@H]1CCOC1 ZINC001233334783 978569459 /nfs/dbraw/zinc/56/94/59/978569459.db2.gz SXCRNYFZNMGJNV-QMMMGPOBSA-N -1 3 243.253 1.891 20 10 BDCDHM CCNC(=O)CN(C)Cc1cccc(F)c1[O-] ZINC000160217010 982527250 /nfs/dbraw/zinc/52/72/50/982527250.db2.gz ZYCNHABINYYQLP-UHFFFAOYSA-N -1 3 240.278 1.099 20 10 BDCDHM C[C@H]1C[C@H]1c1nnc(-c2ccc(O)c(O)c2[O-])o1 ZINC001256627400 970892979 /nfs/dbraw/zinc/89/29/79/970892979.db2.gz WVGXMYIJAJUCOU-CAHLUQPWSA-N -1 3 248.238 1.977 20 10 BDCDHM Cc1nnc(-c2cc(O)c([O-])c(O)c2)o1 ZINC000396956243 957396281 /nfs/dbraw/zinc/39/62/81/957396281.db2.gz UQFNHZPIBUGJOE-UHFFFAOYSA-N -1 3 208.173 1.162 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CCn2nccc2C1 ZINC001140059890 957510710 /nfs/dbraw/zinc/51/07/10/957510710.db2.gz AEZMGQQFKUCXSO-UHFFFAOYSA-N -1 3 247.273 1.744 20 10 BDCDHM C[C@H]1CN(Cc2c([O-])cc(F)cc2F)C[C@@H]1O ZINC001140582993 959002389 /nfs/dbraw/zinc/00/23/89/959002389.db2.gz SJDDHZCUKIPJNP-MADCSZMMSA-N -1 3 243.253 1.483 20 10 BDCDHM [O-]c1c(O)cccc1-c1nnc([C@H]2CCOC2)o1 ZINC001255509949 970279420 /nfs/dbraw/zinc/27/94/20/970279420.db2.gz JGFFIFJZTUZQJA-ZETCQYMHSA-N -1 3 248.238 1.652 20 10 BDCDHM C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CO1 ZINC000401487453 970699150 /nfs/dbraw/zinc/69/91/50/970699150.db2.gz XZWHEORVCJOKKG-HTQZYQBOSA-N -1 3 237.255 1.005 20 10 BDCDHM O=C(Nc1cccnc1F)c1cccc(O)c1[O-] ZINC000401537254 970704881 /nfs/dbraw/zinc/70/48/81/970704881.db2.gz YKOLIVQNCVUHCM-UHFFFAOYSA-N -1 3 248.213 1.884 20 10 BDCDHM C[C@@H]1CCN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581792 973866751 /nfs/dbraw/zinc/86/67/51/973866751.db2.gz ARVWBAXNJOSYTO-ZCFIWIBFSA-N -1 3 223.228 1.038 20 10 BDCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@H]1CO ZINC001331532274 974751394 /nfs/dbraw/zinc/75/13/94/974751394.db2.gz UICNSRJYJCSGPB-JTQLQIEISA-N -1 3 243.253 1.627 20 10 BDCDHM Cc1ccc(C[NH2+][C@H]2CC=C(C(=O)[O-])C2)c([O-])c1 ZINC001600418895 978693232 /nfs/dbraw/zinc/69/32/32/978693232.db2.gz PXLORKPSRRJKBP-LBPRGKRZSA-N -1 3 247.294 1.964 20 10 BDCDHM O=C([O-])[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC001601795563 978850508 /nfs/dbraw/zinc/85/05/08/978850508.db2.gz CNSNRDZZSMMXHG-GXSJLCMTSA-N -1 3 235.283 1.735 20 10 BDCDHM C[C@@H](CC(=O)[O-])[NH2+]Cc1cc(F)ccc1[O-] ZINC001603132618 979382409 /nfs/dbraw/zinc/38/24/09/979382409.db2.gz BYZSOWOLCMCSKW-ZETCQYMHSA-N -1 3 227.235 1.484 20 10 BDCDHM Cc1cccc([O-])c1C[NH2+][C@H](C)C(=O)[O-] ZINC001605345130 979857439 /nfs/dbraw/zinc/85/74/39/979857439.db2.gz YHCGXPCRQFMPSN-MRVPVSSYSA-N -1 3 209.245 1.263 20 10 BDCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@@H](O)C1 ZINC001237809074 980061066 /nfs/dbraw/zinc/06/10/66/980061066.db2.gz ZACOTSBGMRNIIK-SECBINFHSA-N -1 3 245.681 1.751 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@H]1F ZINC001348358735 981342598 /nfs/dbraw/zinc/34/25/98/981342598.db2.gz LJUJOKOXRRLFNN-HZGVNTEJSA-N -1 3 227.210 1.506 20 10 BDCDHM CC[N@H+](CC(=O)[O-])Cc1c(C)cccc1[O-] ZINC001596224886 983615718 /nfs/dbraw/zinc/61/57/18/983615718.db2.gz HZKALMZJRRNBIJ-UHFFFAOYSA-N -1 3 223.272 1.607 20 10 BDCDHM CC[N@@H+](CC(=O)[O-])Cc1c(C)cccc1[O-] ZINC001596224886 983615719 /nfs/dbraw/zinc/61/57/19/983615719.db2.gz HZKALMZJRRNBIJ-UHFFFAOYSA-N -1 3 223.272 1.607 20 10 BDCDHM [O-]c1cccc(Cl)c1CNn1cnnc1 ZINC001308540933 984598965 /nfs/dbraw/zinc/59/89/65/984598965.db2.gz WQWKDFLCKSPOCF-UHFFFAOYSA-N -1 3 224.651 1.381 20 10 BDCDHM CC[C@H](C)S(=O)(=O)[N-]c1cccc(O)c1O ZINC001260739365 986445362 /nfs/dbraw/zinc/44/53/62/986445362.db2.gz VFSNWIIADCKQNE-ZETCQYMHSA-N -1 3 245.300 1.638 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)C(F)F ZINC001471974778 987149639 /nfs/dbraw/zinc/14/96/39/987149639.db2.gz JXHFFEFMXSVLKQ-UHFFFAOYSA-N -1 3 219.162 1.413 20 10 BDCDHM COC(=O)C1CN(Cc2c([O-])cccc2F)C1 ZINC001137832997 990858073 /nfs/dbraw/zinc/85/80/73/990858073.db2.gz OZMTWDOLIZWDBN-UHFFFAOYSA-N -1 3 239.246 1.136 20 10 BDCDHM [O-]c1c(F)cccc1CN1CC[C@@]12CCOC2 ZINC001138130972 990886273 /nfs/dbraw/zinc/88/62/73/990886273.db2.gz MNOHOIUUXZOBMF-ZDUSSCGKSA-N -1 3 237.274 1.896 20 10 BDCDHM [O-]c1c(F)cccc1CN1CC[C@]12CCOC2 ZINC001138130970 990887403 /nfs/dbraw/zinc/88/74/03/990887403.db2.gz MNOHOIUUXZOBMF-CYBMUJFWSA-N -1 3 237.274 1.896 20 10 BDCDHM CO[C@@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139683649 991314224 /nfs/dbraw/zinc/31/42/24/991314224.db2.gz PPMJYTYOSPLDBQ-MRVPVSSYSA-N -1 3 243.253 1.891 20 10 BDCDHM [O-]c1c(Cl)cccc1CN1CC[C@@H](O)C1 ZINC000132489545 188144958 /nfs/dbraw/zinc/14/49/58/188144958.db2.gz NRNVTRCCILYACX-SECBINFHSA-N -1 3 227.691 1.612 20 10 BDCDHM O=C(N[C@@H]1CCSC1)c1cccc(O)c1[O-] ZINC000231355715 182309051 /nfs/dbraw/zinc/30/90/51/182309051.db2.gz JLULPOGAJATHLI-SSDOTTSWSA-N -1 3 239.296 1.333 20 10 BDCDHM [O-]c1c(F)cccc1CN1C[C@H](O)C2(CC2)C1 ZINC000368801167 183254805 /nfs/dbraw/zinc/25/48/05/183254805.db2.gz WNQVLHTWHZTBGD-NSHDSACASA-N -1 3 237.274 1.488 20 10 BDCDHM C[C@H](NCC(F)(F)CO)c1ccccc1[O-] ZINC000184699837 384638446 /nfs/dbraw/zinc/63/84/46/384638446.db2.gz KDYHHEOWCGIOPK-QMMMGPOBSA-N -1 3 231.242 1.670 20 10 BDCDHM CC(C)CONC(=O)c1cccc(O)c1[O-] ZINC000126610575 384815173 /nfs/dbraw/zinc/81/51/73/384815173.db2.gz FKRJRZDNJNSBIK-UHFFFAOYSA-N -1 3 225.244 1.415 20 10 BDCDHM Cc1ccc(C(=O)NCC2CC2)c([O-])c1O ZINC000177668156 385271023 /nfs/dbraw/zinc/27/10/23/385271023.db2.gz AOFZHWMEGLEHKM-UHFFFAOYSA-N -1 3 221.256 1.546 20 10 BDCDHM CC(C)[C@H]1C(=O)NCCN1Cc1ccccc1[O-] ZINC000179569834 385473667 /nfs/dbraw/zinc/47/36/67/385473667.db2.gz LVEWURSJBJWBFU-ZDUSSCGKSA-N -1 3 248.326 1.349 20 10 BDCDHM CCC[C@H]1C(=O)NCCN1Cc1ccccc1[O-] ZINC000179582473 385475417 /nfs/dbraw/zinc/47/54/17/385475417.db2.gz KRJZDHBXPKSMSC-LBPRGKRZSA-N -1 3 248.326 1.493 20 10 BDCDHM CN(Cc1ccccc1[O-])[C@H]1CCN(C)C1=O ZINC000116279490 173148312 /nfs/dbraw/zinc/14/83/12/173148312.db2.gz MMVAICGUUJDYGE-NSHDSACASA-N -1 3 234.299 1.055 20 10 BDCDHM COCCCCNC(=O)c1cccc(O)c1[O-] ZINC000126354248 174198619 /nfs/dbraw/zinc/19/86/19/174198619.db2.gz JIEHXJIBYUWAFW-UHFFFAOYSA-N -1 3 239.271 1.254 20 10 BDCDHM C[C@H](c1nncn1C)N(C)Cc1ccccc1[O-] ZINC000287761032 177054115 /nfs/dbraw/zinc/05/41/15/177054115.db2.gz MGVBECVMTKBQBX-SNVBAGLBSA-N -1 3 246.314 1.714 20 10 BDCDHM C[C@H]1C[C@H](O)CN1Cc1cc(F)cc(F)c1[O-] ZINC000894539844 583480652 /nfs/dbraw/zinc/48/06/52/583480652.db2.gz XKDLVCKCFOPKHH-XVKPBYJWSA-N -1 3 243.253 1.626 20 10 BDCDHM [O-]c1ccc(Cl)cc1CN1C[C@H]2C[C@@]2(O)C1 ZINC000895646591 583699064 /nfs/dbraw/zinc/69/90/64/583699064.db2.gz HKSLTJQFLDIBDL-BXKDBHETSA-N -1 3 239.702 1.612 20 10 BDCDHM CO[C@@H]1CN(Cc2ccc(C)cc2[O-])CCO1 ZINC000895961832 583751135 /nfs/dbraw/zinc/75/11/35/583751135.db2.gz FNGBSBHYXDYFGZ-ZDUSSCGKSA-N -1 3 237.299 1.505 20 10 BDCDHM O=C1CCCN1C1CN(Cc2ccccc2[O-])C1 ZINC000897785901 584048386 /nfs/dbraw/zinc/04/83/86/584048386.db2.gz BBLIRSGHJQARPX-UHFFFAOYSA-N -1 3 246.310 1.199 20 10 BDCDHM COc1nn(C)cc1CNCc1ccccc1[O-] ZINC000898028190 584076509 /nfs/dbraw/zinc/07/65/09/584076509.db2.gz IKDZJWKXLUAJNW-UHFFFAOYSA-N -1 3 247.298 1.424 20 10 BDCDHM CCOCCCNC(=O)c1cc([O-])cs1 ZINC000731865110 584930012 /nfs/dbraw/zinc/93/00/12/584930012.db2.gz KHTAWOCAUNOLFQ-UHFFFAOYSA-N -1 3 229.301 1.610 20 10 BDCDHM CC(C)OCCCNC(=O)c1cc([O-])cs1 ZINC000731871747 584930128 /nfs/dbraw/zinc/93/01/28/584930128.db2.gz MDAWKVHZBXUPMJ-UHFFFAOYSA-N -1 3 243.328 1.999 20 10 BDCDHM CCOC(=O)CN(C)C(=O)c1cc([O-])cs1 ZINC000732279765 584935905 /nfs/dbraw/zinc/93/59/05/584935905.db2.gz OTAOLKLLAJHZFF-UHFFFAOYSA-N -1 3 243.284 1.089 20 10 BDCDHM CSC[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000736710737 585010079 /nfs/dbraw/zinc/01/00/79/585010079.db2.gz LDULVGUQHOZVSX-ZCFIWIBFSA-N -1 3 231.342 1.935 20 10 BDCDHM Cc1cnc(CNC(=O)c2cc([O-])cs2)o1 ZINC000748378280 585191998 /nfs/dbraw/zinc/19/19/98/585191998.db2.gz IZAGZUGAEBWQPK-UHFFFAOYSA-N -1 3 238.268 1.680 20 10 BDCDHM C[C@@]1(O)CCN(C(=O)c2cc([O-])cs2)C1 ZINC000748508028 585193530 /nfs/dbraw/zinc/19/35/30/585193530.db2.gz KOPIZSFUANSILU-SNVBAGLBSA-N -1 3 227.285 1.051 20 10 BDCDHM COC[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000751530537 585231897 /nfs/dbraw/zinc/23/18/97/585231897.db2.gz NOHKKBFBQFCCAX-MRVPVSSYSA-N -1 3 239.271 1.171 20 10 BDCDHM Cc1cc(CNC(=O)c2cc([O-])cs2)ncn1 ZINC000757920027 585346892 /nfs/dbraw/zinc/34/68/92/585346892.db2.gz NSLFTEIVIZDXGR-UHFFFAOYSA-N -1 3 249.295 1.482 20 10 BDCDHM O=C(c1cc([O-])cs1)N(CCO)CC1CC1 ZINC000765242538 585483320 /nfs/dbraw/zinc/48/33/20/585483320.db2.gz SGGCNUZDQBYMMZ-UHFFFAOYSA-N -1 3 241.312 1.298 20 10 BDCDHM C[C@@H]1CCOCCN1C(=O)c1cc([O-])cs1 ZINC000775617117 585681818 /nfs/dbraw/zinc/68/18/18/585681818.db2.gz CSGBFIYFOLFTKO-MRVPVSSYSA-N -1 3 241.312 1.705 20 10 BDCDHM COC(=O)CCCOC(=O)c1cc([O-])cs1 ZINC000783152868 585828534 /nfs/dbraw/zinc/82/85/34/585828534.db2.gz NWDULIAADBNCKG-UHFFFAOYSA-N -1 3 244.268 1.564 20 10 BDCDHM O=C(COC(=O)c1cc([O-])cs1)CC1CC1 ZINC000783608163 585838252 /nfs/dbraw/zinc/83/82/52/585838252.db2.gz NXQUYCDXTCEGOL-UHFFFAOYSA-N -1 3 240.280 1.980 20 10 BDCDHM CCn1nccc1NC(=O)c1cccc(O)c1[O-] ZINC000790513858 585965869 /nfs/dbraw/zinc/96/58/69/585965869.db2.gz RKWDINKQCCMCAP-UHFFFAOYSA-N -1 3 247.254 1.567 20 10 BDCDHM C[C@@H](O)CCCNC(=O)c1cc([O-])cs1 ZINC000791010057 585972216 /nfs/dbraw/zinc/97/22/16/585972216.db2.gz DXSNZAOMHGDYJS-SSDOTTSWSA-N -1 3 229.301 1.345 20 10 BDCDHM CC(=O)C(=O)COC(=O)c1ccc([O-])c(C)c1 ZINC000808534803 586478225 /nfs/dbraw/zinc/47/82/25/586478225.db2.gz SWKGQPFTJCURQN-UHFFFAOYSA-N -1 3 236.223 1.016 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CC(C2CC2)C1 ZINC000812651418 586581447 /nfs/dbraw/zinc/58/14/47/586581447.db2.gz ULZVLCRACGDRGW-UHFFFAOYSA-N -1 3 223.297 1.936 20 10 BDCDHM Cc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]32)c([O-])c1O ZINC000816901420 586770261 /nfs/dbraw/zinc/77/02/61/586770261.db2.gz LQFKTCLNXCDHGP-VHSXEESVSA-N -1 3 249.266 1.020 20 10 BDCDHM CC[C@](C)(O)C(=O)NCc1c([O-])cccc1F ZINC000830180769 587540192 /nfs/dbraw/zinc/54/01/92/587540192.db2.gz SOLBHWALRHSEKC-LBPRGKRZSA-N -1 3 241.262 1.309 20 10 BDCDHM CC(C)(O)C(C)(C)NC(=O)c1cc([O-])cs1 ZINC000831586948 587621689 /nfs/dbraw/zinc/62/16/89/587621689.db2.gz FXIGEXURFCYZHD-UHFFFAOYSA-N -1 3 243.328 1.733 20 10 BDCDHM CC[C@@](C)(CCO)NC(=O)c1cc([O-])cs1 ZINC000831784134 587632044 /nfs/dbraw/zinc/63/20/44/587632044.db2.gz HSCYJMICEWIFRW-NSHDSACASA-N -1 3 243.328 1.735 20 10 BDCDHM Cc1cc([O-])c(CN2CC[C@H](O)C2)c(Cl)c1 ZINC000840910701 587929293 /nfs/dbraw/zinc/92/92/93/587929293.db2.gz QDEGNNSHGQKUJO-VIFPVBQESA-N -1 3 241.718 1.921 20 10 BDCDHM COCCC(=O)NCc1cc(Cl)ccc1[O-] ZINC000846473661 588267111 /nfs/dbraw/zinc/26/71/11/588267111.db2.gz VJSKBYDKUXRMFX-UHFFFAOYSA-N -1 3 243.690 1.698 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCC(=O)CC1 ZINC000848377726 588374867 /nfs/dbraw/zinc/37/48/67/588374867.db2.gz RPYCUYABZKIQJV-UHFFFAOYSA-N -1 3 225.269 1.259 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CC2(CC2(F)F)C1 ZINC000848389612 588375674 /nfs/dbraw/zinc/37/56/74/588375674.db2.gz FPFLMKXHKHCQFJ-UHFFFAOYSA-N -1 3 245.250 1.935 20 10 BDCDHM O=C(NCc1ccc2cccnc2c1[O-])C1CC1 ZINC000862028764 589190425 /nfs/dbraw/zinc/19/04/25/589190425.db2.gz JZIOHXJPOMWBSK-UHFFFAOYSA-N -1 3 242.278 1.967 20 10 BDCDHM C/C=C/CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000863115394 589259253 /nfs/dbraw/zinc/25/92/53/589259253.db2.gz NELZRFPDCIRNSF-ONEGZZNKSA-N -1 3 221.256 1.712 20 10 BDCDHM Cc1ccc(C(=O)NCC(C)(C)F)c([O-])c1O ZINC000869624072 589617553 /nfs/dbraw/zinc/61/75/53/589617553.db2.gz RDKGLPRWGVROQB-UHFFFAOYSA-N -1 3 241.262 1.884 20 10 BDCDHM Cc1cccc([O-])c1CN(C)CC(=O)NC1CC1 ZINC000876549602 590214342 /nfs/dbraw/zinc/21/43/42/590214342.db2.gz SEZHYMVVKIKPPF-UHFFFAOYSA-N -1 3 248.326 1.411 20 10 BDCDHM Cc1ccc(CN2CCOC[C@@H]2C)c([O-])c1 ZINC000876610852 590221614 /nfs/dbraw/zinc/22/16/14/590221614.db2.gz KEDJJIOIGAAZNH-NSHDSACASA-N -1 3 221.300 1.921 20 10 BDCDHM Cc1nonc1CNCc1c(C)cccc1[O-] ZINC000877526082 590347711 /nfs/dbraw/zinc/34/77/11/590347711.db2.gz FUUOYRCVBBTWIF-UHFFFAOYSA-N -1 3 233.271 1.682 20 10 BDCDHM COC1(C)CN(Cc2c(C)cccc2[O-])C1 ZINC000877532291 590349111 /nfs/dbraw/zinc/34/91/11/590349111.db2.gz DNQFBIPPIFKDPY-UHFFFAOYSA-N -1 3 221.300 1.921 20 10 BDCDHM C[C@H](N[C@@H](C)c1ccccc1[O-])c1nnnn1C ZINC000879650865 590843327 /nfs/dbraw/zinc/84/33/27/590843327.db2.gz UMHUCJBMZLQTHT-IUCAKERBSA-N -1 3 247.302 1.328 20 10 BDCDHM [O-]c1ccccc1CN1CCn2ccnc2C1 ZINC000134212226 591903732 /nfs/dbraw/zinc/90/37/32/591903732.db2.gz IOEJDCGDQKAGSZ-UHFFFAOYSA-N -1 3 229.283 1.605 20 10 BDCDHM O=C([O-])CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000236425338 598212509 /nfs/dbraw/zinc/21/25/09/598212509.db2.gz YIVIPRSEAJAFTR-UHFFFAOYSA-N -1 3 227.235 1.486 20 10 BDCDHM C[N@H+](CC(=O)[O-])Cc1cc(F)ccc1[O-] ZINC000229289341 605477068 /nfs/dbraw/zinc/47/70/68/605477068.db2.gz BEXYUDHPSVIVAC-UHFFFAOYSA-N -1 3 213.208 1.048 20 10 BDCDHM C[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1[O-] ZINC000229289341 605477072 /nfs/dbraw/zinc/47/70/72/605477072.db2.gz BEXYUDHPSVIVAC-UHFFFAOYSA-N -1 3 213.208 1.048 20 10 BDCDHM C[N@H+](CCNC(=O)[O-])Cc1ccccc1[O-] ZINC000833872269 605762574 /nfs/dbraw/zinc/76/25/74/605762574.db2.gz JBANWAQNKAPVCX-UHFFFAOYSA-N -1 3 224.260 1.092 20 10 BDCDHM C[N@@H+](CCNC(=O)[O-])Cc1ccccc1[O-] ZINC000833872269 605762578 /nfs/dbraw/zinc/76/25/78/605762578.db2.gz JBANWAQNKAPVCX-UHFFFAOYSA-N -1 3 224.260 1.092 20 10 BDCDHM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cccc(O)c1[O-] ZINC000397862019 711393876 /nfs/dbraw/zinc/39/38/76/711393876.db2.gz XZANNIOKLLANLJ-AYMMMOKOSA-N -1 3 233.267 1.626 20 10 BDCDHM CS[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928712720 711786220 /nfs/dbraw/zinc/78/62/20/711786220.db2.gz XMJXGSWQMROWSZ-SSDOTTSWSA-N -1 3 243.303 1.899 20 10 BDCDHM CN(Cc1ccon1)C(=O)c1cccc(O)c1[O-] ZINC000706403515 712145212 /nfs/dbraw/zinc/14/52/12/712145212.db2.gz SSRSPGSMPZFNKF-UHFFFAOYSA-N -1 3 248.238 1.358 20 10 BDCDHM CO[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000706637573 712151962 /nfs/dbraw/zinc/15/19/62/712151962.db2.gz OOWOHYBKCCVRLM-ZKCHVHJHSA-N -1 3 237.255 1.005 20 10 BDCDHM [O-]c1c(F)cc(F)cc1CNCCF ZINC000708557838 712212857 /nfs/dbraw/zinc/21/28/57/712212857.db2.gz CCGZNIWEISAKQW-UHFFFAOYSA-N -1 3 205.179 1.730 20 10 BDCDHM Cc1ccc(C[N@H+](C)CC(=O)[O-])c([O-])c1 ZINC001600409694 978693002 /nfs/dbraw/zinc/69/30/02/978693002.db2.gz LCWYFLAVMAFABB-UHFFFAOYSA-N -1 3 209.245 1.217 20 10 BDCDHM Cc1ccc(C[N@@H+](C)CC(=O)[O-])c([O-])c1 ZINC001600409694 978693008 /nfs/dbraw/zinc/69/30/08/978693008.db2.gz LCWYFLAVMAFABB-UHFFFAOYSA-N -1 3 209.245 1.217 20 10 BDCDHM [O-]c1c(O)cccc1-c1nnc([C@@H]2CCOC2)o1 ZINC001255509948 970276203 /nfs/dbraw/zinc/27/62/03/970276203.db2.gz JGFFIFJZTUZQJA-SSDOTTSWSA-N -1 3 248.238 1.652 20 10 BDCDHM C[C@@H](CC(=O)[O-])[NH2+][C@H]1CCc2cccc([O-])c21 ZINC001609888475 970585913 /nfs/dbraw/zinc/58/59/13/970585913.db2.gz MKXGPOVVPDNROH-WPRPVWTQSA-N -1 3 235.283 1.832 20 10 BDCDHM C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CO1 ZINC000401487454 970699071 /nfs/dbraw/zinc/69/90/71/970699071.db2.gz XZWHEORVCJOKKG-JGVFFNPUSA-N -1 3 237.255 1.005 20 10 BDCDHM O=C(Nc1ccc[nH]1)c1cc(O)c([O-])c(O)c1 ZINC001148583336 973866671 /nfs/dbraw/zinc/86/66/71/973866671.db2.gz ZAASGLJTMIXUJS-UHFFFAOYSA-N -1 3 234.211 1.384 20 10 BDCDHM C[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231560351 977635504 /nfs/dbraw/zinc/63/55/04/977635504.db2.gz HGZUTVBNVUSCDL-VIFPVBQESA-N -1 3 235.283 1.932 20 10 BDCDHM C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231560351 977635514 /nfs/dbraw/zinc/63/55/14/977635514.db2.gz HGZUTVBNVUSCDL-VIFPVBQESA-N -1 3 235.283 1.932 20 10 BDCDHM [O-]c1ccc(F)c(F)c1CN1CCCOCC1 ZINC001233332019 978564138 /nfs/dbraw/zinc/56/41/38/978564138.db2.gz UQUCDCWUJAZGIS-UHFFFAOYSA-N -1 3 243.253 1.893 20 10 BDCDHM C[C@H]1[C@@H](O)CCN1Cc1ccc(F)c(F)c1[O-] ZINC001181796029 979310634 /nfs/dbraw/zinc/31/06/34/979310634.db2.gz GVEKZHUNZSNSAJ-XVKPBYJWSA-N -1 3 243.253 1.626 20 10 BDCDHM C[C@H](CC(=O)[O-])[NH2+]Cc1cc(F)ccc1[O-] ZINC001603132617 979384408 /nfs/dbraw/zinc/38/44/08/979384408.db2.gz BYZSOWOLCMCSKW-SSDOTTSWSA-N -1 3 227.235 1.484 20 10 BDCDHM CC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590745062 982981380 /nfs/dbraw/zinc/98/13/80/982981380.db2.gz AMVWOLGALUIVJT-ZETCQYMHSA-N -1 3 233.275 1.243 20 10 BDCDHM CC[NH2+][C@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590745657 982986778 /nfs/dbraw/zinc/98/67/78/982986778.db2.gz LOSFDXKRSYHGHU-SNVBAGLBSA-N -1 3 247.302 1.633 20 10 BDCDHM O=C([O-])[C@H](CC(F)F)[NH2+]Cc1ccccc1[O-] ZINC001119536584 989138800 /nfs/dbraw/zinc/13/88/00/989138800.db2.gz MYENRFDUUVUWHD-QMMMGPOBSA-N -1 3 245.225 1.590 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)c1cncnc1 ZINC001558454267 990946512 /nfs/dbraw/zinc/94/65/12/990946512.db2.gz DJXLXDMRCBRXJW-UHFFFAOYSA-N -1 3 247.229 1.251 20 10 BDCDHM C[C@@H](O)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593462541 995386611 /nfs/dbraw/zinc/38/66/11/995386611.db2.gz MEEDHNAQPMNZNY-SFYZADRCSA-N -1 3 239.271 1.122 20 10 BDCDHM Cc1ccc(C(=O)N2C[C@H](C)[C@@H]2C)c([O-])c1O ZINC000293893025 178399308 /nfs/dbraw/zinc/39/93/08/178399308.db2.gz BSLZIYNTTPAXQH-IUCAKERBSA-N -1 3 235.283 1.887 20 10 BDCDHM CC(C)CNC(=O)c1cccc(O)c1[O-] ZINC000126191250 344171251 /nfs/dbraw/zinc/17/12/51/344171251.db2.gz MEMRACIIMUMOLA-UHFFFAOYSA-N -1 3 209.245 1.484 20 10 BDCDHM O=C(NCCC1CC1)c1cccc(O)c1[O-] ZINC000163275399 182156906 /nfs/dbraw/zinc/15/69/06/182156906.db2.gz DYCPOHCDKHXJSY-UHFFFAOYSA-N -1 3 221.256 1.628 20 10 BDCDHM O=C(N[C@@H]1CCCOC1)c1cccc(O)c1[O-] ZINC000126410391 182296024 /nfs/dbraw/zinc/29/60/24/182296024.db2.gz ZLLZGWLHQUGOES-MRVPVSSYSA-N -1 3 237.255 1.007 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CCCCC1 ZINC000126194829 384779248 /nfs/dbraw/zinc/77/92/48/384779248.db2.gz YFVZLYBIGHFNIH-UHFFFAOYSA-N -1 3 221.256 1.724 20 10 BDCDHM CC[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126539286 384808334 /nfs/dbraw/zinc/80/83/34/384808334.db2.gz NCAFMGNEUDXVCG-VIFPVBQESA-N -1 3 235.283 1.970 20 10 BDCDHM CN(Cc1cccc(F)c1[O-])[C@@H]1CCOC1 ZINC000165419445 385122232 /nfs/dbraw/zinc/12/22/32/385122232.db2.gz WTUFZHFDMPAOAH-SNVBAGLBSA-N -1 3 225.263 1.752 20 10 BDCDHM COC(=O)[C@H](NCc1ccccc1[O-])C1CC1 ZINC000234573632 386081328 /nfs/dbraw/zinc/08/13/28/386081328.db2.gz VWPZWJVPDMOVQL-GFCCVEGCSA-N -1 3 235.283 1.433 20 10 BDCDHM Cc1nonc1CN(C)Cc1ccccc1[O-] ZINC000265128921 386309851 /nfs/dbraw/zinc/30/98/51/386309851.db2.gz MICYUNACJAKCLT-UHFFFAOYSA-N -1 3 233.271 1.716 20 10 BDCDHM CCN(C)C(=O)CN(C)Cc1ccccc1[O-] ZINC000264716402 386263219 /nfs/dbraw/zinc/26/32/19/386263219.db2.gz NNMDDQNYRQUZQD-UHFFFAOYSA-N -1 3 236.315 1.302 20 10 BDCDHM C[C@H](c1nnnn1C)N(C)Cc1ccccc1[O-] ZINC000189663429 177055811 /nfs/dbraw/zinc/05/58/11/177055811.db2.gz NDQDJBBAFXEJKK-SECBINFHSA-N -1 3 247.302 1.109 20 10 BDCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCC1=O ZINC000168829653 177228504 /nfs/dbraw/zinc/22/85/04/177228504.db2.gz VMVWTKPFCYDWCA-QMMMGPOBSA-N -1 3 249.266 1.149 20 10 BDCDHM [O-]c1ccccc1CN1CCO[C@@H](CF)C1 ZINC000840955298 583183305 /nfs/dbraw/zinc/18/33/05/583183305.db2.gz UDWLSMNUDZHUPN-NSHDSACASA-N -1 3 225.263 1.563 20 10 BDCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@@H](CO)C1 ZINC000893985815 583269525 /nfs/dbraw/zinc/26/95/25/583269525.db2.gz HOWZSQBZHDVHRB-MRVPVSSYSA-N -1 3 243.253 1.485 20 10 BDCDHM O=C(NCC1=CCOCC1)c1cc([O-])cs1 ZINC000854741854 588805037 /nfs/dbraw/zinc/80/50/37/588805037.db2.gz WIQAWVJPLKJPDI-UHFFFAOYSA-N -1 3 239.296 1.530 20 10 BDCDHM COCCC1CN(C(=O)c2cc([O-])cs2)C1 ZINC000854921840 588817140 /nfs/dbraw/zinc/81/71/40/588817140.db2.gz POVUIEHHGGLDSI-UHFFFAOYSA-N -1 3 241.312 1.562 20 10 BDCDHM CC1(C)C[C@@H](NC(=O)c2cc([O-])cs2)CO1 ZINC000855171887 588825090 /nfs/dbraw/zinc/82/50/90/588825090.db2.gz FYQQXRUELVXXBA-SSDOTTSWSA-N -1 3 241.312 1.751 20 10 BDCDHM O=C(N[C@H]1C=CCC1)c1cc([O-])cs1 ZINC000855432990 588835839 /nfs/dbraw/zinc/83/58/39/588835839.db2.gz OSSXGEMZBXPQFS-ZETCQYMHSA-N -1 3 209.270 1.902 20 10 BDCDHM CO[C@@]1(C)C[C@H]1NC(=O)c1cc([O-])cs1 ZINC000856269386 588866139 /nfs/dbraw/zinc/86/61/39/588866139.db2.gz SFZQFBMHUSQCCP-SCZZXKLOSA-N -1 3 227.285 1.361 20 10 BDCDHM C[C@H]1C[C@@H](O)CN1Cc1ccc(F)c(F)c1[O-] ZINC000877467644 583316395 /nfs/dbraw/zinc/31/63/95/583316395.db2.gz LNBVZBAUVHKQJK-IONNQARKSA-N -1 3 243.253 1.626 20 10 BDCDHM Cc1ncoc1CNCc1ccccc1[O-] ZINC000894214387 583380723 /nfs/dbraw/zinc/38/07/23/583380723.db2.gz XBUCDJNCAAJPMV-UHFFFAOYSA-N -1 3 218.256 1.978 20 10 BDCDHM CN(Cc1cc(F)cc(F)c1[O-])C1CC(O)C1 ZINC000894462214 583466590 /nfs/dbraw/zinc/46/65/90/583466590.db2.gz QNNQXASPHBRKSP-UHFFFAOYSA-N -1 3 243.253 1.626 20 10 BDCDHM Cc1nnc(NCc2c([O-])cccc2F)nc1C ZINC000895833531 583735438 /nfs/dbraw/zinc/73/54/38/583735438.db2.gz ZHNDLUREGZLQGJ-UHFFFAOYSA-N -1 3 248.261 1.945 20 10 BDCDHM CO[C@H]1CN(Cc2c(C)cccc2[O-])CCO1 ZINC000895963540 583753964 /nfs/dbraw/zinc/75/39/64/583753964.db2.gz PDOSRWMQXFEURB-CYBMUJFWSA-N -1 3 237.299 1.505 20 10 BDCDHM O=C(N[C@H]1CCn2cncc21)c1cc([O-])cs1 ZINC000857980049 588927513 /nfs/dbraw/zinc/92/75/13/588927513.db2.gz SAQHJEWHXAVMLP-QMMMGPOBSA-N -1 3 249.295 1.525 20 10 BDCDHM C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@@H]1O ZINC000897678347 584036647 /nfs/dbraw/zinc/03/66/47/584036647.db2.gz AIYUXJWHXZCUPF-XVKPBYJWSA-N -1 3 243.253 1.483 20 10 BDCDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H]1O ZINC000897684878 584040688 /nfs/dbraw/zinc/04/06/88/584040688.db2.gz YHTRMTLNWXJSSK-UFBFGSQYSA-N -1 3 241.718 1.858 20 10 BDCDHM Cn1cnc(CNCc2cc(F)ccc2[O-])c1 ZINC000898044703 584073100 /nfs/dbraw/zinc/07/31/00/584073100.db2.gz ANKGUABEHYBVQM-UHFFFAOYSA-N -1 3 235.262 1.555 20 10 BDCDHM [O-]c1ccc(Cl)cc1CN[C@@H]1CNOC1 ZINC000904421825 584882634 /nfs/dbraw/zinc/88/26/34/584882634.db2.gz TWRLZGDACZGZJF-SECBINFHSA-N -1 3 228.679 1.039 20 10 BDCDHM O=C(NCc1ccncc1)c1cc([O-])cs1 ZINC000731866319 584929926 /nfs/dbraw/zinc/92/99/26/584929926.db2.gz LRIABFSTVDLUDC-UHFFFAOYSA-N -1 3 234.280 1.779 20 10 BDCDHM CCOC(=O)[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000731870650 584930023 /nfs/dbraw/zinc/93/00/23/584930023.db2.gz SMBJDTMMNHVGNH-ZCFIWIBFSA-N -1 3 243.284 1.135 20 10 BDCDHM CCN(CCOC)C(=O)c1cc([O-])cs1 ZINC000732269278 584935351 /nfs/dbraw/zinc/93/53/51/584935351.db2.gz RUOPTJMARPGJOH-UHFFFAOYSA-N -1 3 229.301 1.562 20 10 BDCDHM COC(=O)CCCNC(=O)c1cc([O-])cs1 ZINC000732257199 584935573 /nfs/dbraw/zinc/93/55/73/584935573.db2.gz GCQRIXJUKTXVNQ-UHFFFAOYSA-N -1 3 243.284 1.137 20 10 BDCDHM COC[C@H](C)CNC(=O)c1cc([O-])cs1 ZINC000732277620 584935679 /nfs/dbraw/zinc/93/56/79/584935679.db2.gz OXOKCZCCCGNVTQ-SSDOTTSWSA-N -1 3 229.301 1.466 20 10 BDCDHM O=C(OCc1ccno1)c1cc([O-])cs1 ZINC000732354901 584936079 /nfs/dbraw/zinc/93/60/79/584936079.db2.gz VVGINUYDJGEALV-UHFFFAOYSA-N -1 3 225.225 1.799 20 10 BDCDHM O=C(OCCCCO)c1cc([O-])cs1 ZINC000733497334 584950056 /nfs/dbraw/zinc/95/00/56/584950056.db2.gz TUUCYWFERBQLHC-UHFFFAOYSA-N -1 3 216.258 1.383 20 10 BDCDHM CSCCCNC(=O)c1cc([O-])cs1 ZINC000736681851 585009474 /nfs/dbraw/zinc/00/94/74/585009474.db2.gz DCVNTYOVLUJVJP-UHFFFAOYSA-N -1 3 231.342 1.937 20 10 BDCDHM CCOC1CN(Cc2c([O-])cccc2OC)C1 ZINC000839132030 585094160 /nfs/dbraw/zinc/09/41/60/585094160.db2.gz IQYADKLYDCAIND-UHFFFAOYSA-N -1 3 237.299 1.622 20 10 BDCDHM CN(C(=O)c1cc([O-])cs1)c1cn[nH]c1 ZINC000748396199 585192441 /nfs/dbraw/zinc/19/24/41/585192441.db2.gz ZRCLIDZMDMCZKQ-UHFFFAOYSA-N -1 3 223.257 1.453 20 10 BDCDHM CS[C@H](C)CNC(=O)c1cc([O-])cs1 ZINC000752632558 585248248 /nfs/dbraw/zinc/24/82/48/585248248.db2.gz VRCLVLOPJSTQRV-ZCFIWIBFSA-N -1 3 231.342 1.935 20 10 BDCDHM COC(OC)[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000839763768 585339010 /nfs/dbraw/zinc/33/90/10/585339010.db2.gz GTLXEJHIXPZZMV-LURJTMIESA-N -1 3 245.300 1.191 20 10 BDCDHM CCC1(O)CN(C(=O)c2cc([O-])cs2)C1 ZINC000839759580 585340691 /nfs/dbraw/zinc/34/06/91/585340691.db2.gz AHTPTESTNXTZQY-UHFFFAOYSA-N -1 3 227.285 1.051 20 10 BDCDHM C[C@@H](NC(=O)c1cc([O-])cs1)[C@H](C)CO ZINC000757909151 585346688 /nfs/dbraw/zinc/34/66/88/585346688.db2.gz SFRMPHVDTJQVTP-RNFRBKRXSA-N -1 3 229.301 1.200 20 10 BDCDHM O=C(N[C@H]1CCCC[C@H]1O)c1cc([O-])cs1 ZINC000757904116 585346734 /nfs/dbraw/zinc/34/67/34/585346734.db2.gz FUGUVIWVVHRKIM-DTWKUNHWSA-N -1 3 241.312 1.487 20 10 BDCDHM CN(C[C@@H](O)C1CC1)C(=O)c1cc([O-])cs1 ZINC000760805993 585397602 /nfs/dbraw/zinc/39/76/02/585397602.db2.gz VYTVRYGLKKVZNH-SECBINFHSA-N -1 3 241.312 1.297 20 10 BDCDHM O=C(NCCC1CC(O)C1)c1cc([O-])cs1 ZINC000762918577 585439432 /nfs/dbraw/zinc/43/94/32/585439432.db2.gz HIKYWZLBBXFQML-UHFFFAOYSA-N -1 3 241.312 1.345 20 10 BDCDHM O=C(N[C@H]1C[C@@H]1C(F)F)c1cccc(O)c1[O-] ZINC000805311911 585492331 /nfs/dbraw/zinc/49/23/31/585492331.db2.gz FXZPLSIWQSSBRJ-BQBZGAKWSA-N -1 3 243.209 1.481 20 10 BDCDHM C[C@@]1(O)CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000767157621 585515007 /nfs/dbraw/zinc/51/50/07/585515007.db2.gz UALDLWFUSALPMP-LLVKDONJSA-N -1 3 241.312 1.441 20 10 BDCDHM COc1cccc([O-])c1CN(C)Cc1cc[nH]n1 ZINC000769384041 585554922 /nfs/dbraw/zinc/55/49/22/585554922.db2.gz KJGIEFKVMYNZPC-UHFFFAOYSA-N -1 3 247.298 1.756 20 10 BDCDHM O=C(NC[C@@H]1CC[C@@H](O)C1)c1cc([O-])cs1 ZINC000789918720 585952479 /nfs/dbraw/zinc/95/24/79/585952479.db2.gz VZCAUPSGDSYKIV-HTQZYQBOSA-N -1 3 241.312 1.345 20 10 BDCDHM Cc1occc1CNC(=O)c1cccc(O)c1[O-] ZINC000790571532 585966394 /nfs/dbraw/zinc/96/63/94/585966394.db2.gz SXMAEFPQNQVRFU-UHFFFAOYSA-N -1 3 247.250 1.929 20 10 BDCDHM O=C(NCCCCCO)c1cc([O-])cs1 ZINC000791061896 585973547 /nfs/dbraw/zinc/97/35/47/585973547.db2.gz LJFIVOTXTKJJFE-UHFFFAOYSA-N -1 3 229.301 1.346 20 10 BDCDHM CCn1cnnc1NC(=O)c1cc([O-])cs1 ZINC000807518371 586445771 /nfs/dbraw/zinc/44/57/71/586445771.db2.gz HIHJVYQCGWXSMX-UHFFFAOYSA-N -1 3 238.272 1.317 20 10 BDCDHM C[C@@H](CO)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809742543 586515761 /nfs/dbraw/zinc/51/57/61/586515761.db2.gz CNZDUMXQJULCOH-ZETCQYMHSA-N -1 3 247.697 1.997 20 10 BDCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H](O)C1 ZINC000816484229 586736100 /nfs/dbraw/zinc/73/61/00/586736100.db2.gz UXMNPYLQZSJAFU-MRVPVSSYSA-N -1 3 245.681 1.751 20 10 BDCDHM Cc1cc([O-])c(C[N@@H+]2CC[C@H](C(=O)[O-])C2)cc1C ZINC000818849337 586914188 /nfs/dbraw/zinc/91/41/88/586914188.db2.gz VYCYASDKZAHDOB-NSHDSACASA-N -1 3 249.310 1.916 20 10 BDCDHM Cc1cc([O-])c(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1C ZINC000818849337 586914189 /nfs/dbraw/zinc/91/41/89/586914189.db2.gz VYCYASDKZAHDOB-NSHDSACASA-N -1 3 249.310 1.916 20 10 BDCDHM CC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)[O-] ZINC000820419171 587047510 /nfs/dbraw/zinc/04/75/10/587047510.db2.gz NPDLWPQGACLQKJ-WCBMZHEXSA-N -1 3 223.272 1.906 20 10 BDCDHM C[C@@H](NC(=O)c1cc([O-])cs1)C(C)(C)O ZINC000829444745 587497420 /nfs/dbraw/zinc/49/74/20/587497420.db2.gz BEJBKFJVQGJEDA-ZCFIWIBFSA-N -1 3 229.301 1.343 20 10 BDCDHM C[C@@]1(CO)CCCN1C(=O)c1cc([O-])cs1 ZINC000832170306 587648134 /nfs/dbraw/zinc/64/81/34/587648134.db2.gz BFQHINVJPXSTTR-NSHDSACASA-N -1 3 241.312 1.441 20 10 BDCDHM Cc1cc([O-])c(CN2CC[C@@H](O)C2)c(Cl)c1 ZINC000840910300 587929512 /nfs/dbraw/zinc/92/95/12/587929512.db2.gz QDEGNNSHGQKUJO-SECBINFHSA-N -1 3 241.718 1.921 20 10 BDCDHM CC(C)CO[N-]C(=O)Nc1ccc(N)cc1 ZINC000841297607 587950314 /nfs/dbraw/zinc/95/03/14/587950314.db2.gz HIVOQZCTSKICOR-UHFFFAOYSA-N -1 3 223.276 1.978 20 10 BDCDHM C[C@H]1C(=O)N(C)CN1Cc1cc(F)ccc1[O-] ZINC000843435188 588109979 /nfs/dbraw/zinc/10/99/79/588109979.db2.gz KJPCCGCCDAXFCU-QMMMGPOBSA-N -1 3 238.262 1.151 20 10 BDCDHM C[C@@H](O)C(=O)NCc1cc(Cl)ccc1[O-] ZINC000846474347 588267089 /nfs/dbraw/zinc/26/70/89/588267089.db2.gz UUVOVMCBTBNQOE-ZCFIWIBFSA-N -1 3 229.663 1.043 20 10 BDCDHM CN(C)CC(=O)NCc1cc(Cl)ccc1[O-] ZINC000846472114 588267149 /nfs/dbraw/zinc/26/71/49/588267149.db2.gz HAQWNTHMFPKWII-UHFFFAOYSA-N -1 3 242.706 1.223 20 10 BDCDHM Cc1ccc([O-])c(C[NH2+]C[C@H](C)C(=O)[O-])c1 ZINC000848638413 588403407 /nfs/dbraw/zinc/40/34/07/588403407.db2.gz SHJXELDRBJBTHJ-VIFPVBQESA-N -1 3 223.272 1.511 20 10 BDCDHM Cc1ccc(CN(C)CC(=O)N(C)C)c([O-])c1 ZINC000876541874 590212782 /nfs/dbraw/zinc/21/27/82/590212782.db2.gz LFPZIVDKEYFARO-UHFFFAOYSA-N -1 3 236.315 1.221 20 10 BDCDHM Cc1ccc(CN2CCO[C@@H](C)C2)c([O-])c1 ZINC000876557022 590215739 /nfs/dbraw/zinc/21/57/39/590215739.db2.gz DUMPTKQLSGMIAJ-NSHDSACASA-N -1 3 221.300 1.921 20 10 BDCDHM Cc1ccc(CN2CCNC(=O)[C@H]2C)c([O-])c1 ZINC000876651487 590226178 /nfs/dbraw/zinc/22/61/78/590226178.db2.gz CPOAZTMYVHSRCB-SNVBAGLBSA-N -1 3 234.299 1.021 20 10 BDCDHM CCN1CCN(Cc2c(C)cccc2[O-])CC1=O ZINC000877339845 590317599 /nfs/dbraw/zinc/31/75/99/590317599.db2.gz HDKPFMZGYIRSQU-UHFFFAOYSA-N -1 3 248.326 1.365 20 10 BDCDHM Cc1ccc(CN[C@H](C)c2ncnn2C)c([O-])c1 ZINC000877469784 590334823 /nfs/dbraw/zinc/33/48/23/590334823.db2.gz YZGJLWRXBPDSFG-SNVBAGLBSA-N -1 3 246.314 1.680 20 10 BDCDHM C[C@@H]1C[C@H](C)CN1C(=O)c1cccc(O)c1[O-] ZINC000126568548 590350951 /nfs/dbraw/zinc/35/09/51/590350951.db2.gz FSAXBSXBFGIVAZ-DTWKUNHWSA-N -1 3 235.283 1.968 20 10 BDCDHM Cn1cncc1CN1Cc2cccc([O-])c2C1 ZINC000877703422 590396082 /nfs/dbraw/zinc/39/60/82/590396082.db2.gz IPAQIBIWMHXEQV-UHFFFAOYSA-N -1 3 229.283 1.642 20 10 BDCDHM COC(=O)[C@@H](N[C@@H](C)c1ccccc1[O-])C1CC1 ZINC000879650919 590843406 /nfs/dbraw/zinc/84/34/06/590843406.db2.gz WYSNYYPVYGJVGW-ZANVPECISA-N -1 3 249.310 1.994 20 10 BDCDHM CO[C@@H]1CC[C@@H]1N(C)C(=O)c1cc([O-])cs1 ZINC000889330883 591765134 /nfs/dbraw/zinc/76/51/34/591765134.db2.gz FMIUARRGLFJODE-DTWKUNHWSA-N -1 3 241.312 1.703 20 10 BDCDHM CC[C@@H]([NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000084847069 597153585 /nfs/dbraw/zinc/15/35/85/597153585.db2.gz KPQUMOQJPIVUPC-SECBINFHSA-N -1 3 209.245 1.345 20 10 BDCDHM C[C@H]([NH2+]CCCC(=O)[O-])c1ccccc1[O-] ZINC000037418421 597733101 /nfs/dbraw/zinc/73/31/01/597733101.db2.gz FBAOQESOACKDFJ-VIFPVBQESA-N -1 3 223.272 1.908 20 10 BDCDHM O=C([O-])NCCC[NH2+]Cc1ccccc1[O-] ZINC000740652991 602648429 /nfs/dbraw/zinc/64/84/29/602648429.db2.gz QNGJGKNHOFXXSQ-UHFFFAOYSA-N -1 3 224.260 1.140 20 10 BDCDHM C[C@@H](N[C@@H]1CNOC1)c1cc(F)cc(F)c1[O-] ZINC000925862554 635561654 /nfs/dbraw/zinc/56/16/54/635561654.db2.gz UIEFDZKARCWWOC-HTRCEHHLSA-N -1 3 244.241 1.224 20 10 BDCDHM CC1(NC(=O)c2cccc(O)c2[O-])CCC1 ZINC000163279423 636352851 /nfs/dbraw/zinc/35/28/51/636352851.db2.gz GIIPVEQCYREZGR-UHFFFAOYSA-N -1 3 221.256 1.770 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)NCC1CC1 ZINC000905146890 637655975 /nfs/dbraw/zinc/65/59/75/637655975.db2.gz FHPIIHPACCGLCZ-UHFFFAOYSA-N -1 3 238.262 1.741 20 10 BDCDHM O=C(NCc1ccc[nH]1)c1cccc(O)c1[O-] ZINC000187145733 644362631 /nfs/dbraw/zinc/36/26/31/644362631.db2.gz VOWOZUNONDYXRA-UHFFFAOYSA-N -1 3 232.239 1.356 20 10 BDCDHM CC1(NC(=O)c2cccc(O)c2[O-])CC=CC1 ZINC000702192134 712040958 /nfs/dbraw/zinc/04/09/58/712040958.db2.gz ZREZNTYKAKTPAD-UHFFFAOYSA-N -1 3 233.267 1.936 20 10 BDCDHM CN(CCO)Cc1c([O-])ccc(F)c1Cl ZINC001236256830 979478502 /nfs/dbraw/zinc/47/85/02/979478502.db2.gz SEXCQRZHJBNLML-UHFFFAOYSA-N -1 3 233.670 1.609 20 10 BDCDHM C[C@@H]([NH2+]CCOCC(=O)[O-])c1ccccc1[O-] ZINC001589128189 982614913 /nfs/dbraw/zinc/61/49/13/982614913.db2.gz BTOYNRZQVHJEPA-SECBINFHSA-N -1 3 239.271 1.144 20 10 BDCDHM C[C@@H]([NH2+]CCC(=O)[O-])c1cc(F)ccc1[O-] ZINC000087111354 949067780 /nfs/dbraw/zinc/06/77/80/949067780.db2.gz WYGILOZFVXPHBN-SSDOTTSWSA-N -1 3 227.235 1.657 20 10 BDCDHM O=C([O-])C1C[NH+](Cc2cc(F)ccc2[O-])C1 ZINC000236417834 960569641 /nfs/dbraw/zinc/56/96/41/960569641.db2.gz GWDSUTSYMUSBPK-UHFFFAOYSA-N -1 3 225.219 1.048 20 10 BDCDHM O=C(Nc1cnoc1)c1cccc(O)c1[O-] ZINC000163274379 967618618 /nfs/dbraw/zinc/61/86/18/967618618.db2.gz JOZPZOROWZFSTF-UHFFFAOYSA-N -1 3 220.184 1.338 20 10 BDCDHM O=C(NC[C@H]1C[C@H](F)C1)c1cccc(O)c1[O-] ZINC001148219856 973812380 /nfs/dbraw/zinc/81/23/80/973812380.db2.gz BYVALANILOEIGX-ZKCHVHJHSA-N -1 3 239.246 1.576 20 10 BDCDHM CC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148219143 973814715 /nfs/dbraw/zinc/81/47/15/973814715.db2.gz VCVBPTYLSIQPSS-SECBINFHSA-N -1 3 249.266 1.149 20 10 BDCDHM O=C(N[C@@H]1C[C@@H]1C1CC1)c1cc(O)c([O-])c(O)c1 ZINC001148590552 973872135 /nfs/dbraw/zinc/87/21/35/973872135.db2.gz MHIXJFGAUXEOKY-RKDXNWHRSA-N -1 3 249.266 1.332 20 10 BDCDHM CN(C)c1ccc(CNC[C@H](F)C(=O)[O-])cc1 ZINC001334845436 976744336 /nfs/dbraw/zinc/74/43/36/976744336.db2.gz VPPJZZOVDBWRBQ-NSHDSACASA-N -1 3 240.278 1.265 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC2(CCC2)C1 ZINC001595526517 978082008 /nfs/dbraw/zinc/08/20/08/978082008.db2.gz FHAWXGBSCOXBLL-UHFFFAOYSA-N -1 3 233.267 1.724 20 10 BDCDHM Cc1cccc([O-])c1C[NH2+]CC(C)(C)C(=O)[O-] ZINC001600543443 978702476 /nfs/dbraw/zinc/70/24/76/978702476.db2.gz WVQOGVXKDXNJKS-UHFFFAOYSA-N -1 3 237.299 1.901 20 10 BDCDHM C[C@@H]1C[C@@H]1c1nnc(-c2ccc(O)c(O)c2[O-])o1 ZINC001256627403 987253314 /nfs/dbraw/zinc/25/33/14/987253314.db2.gz WVGXMYIJAJUCOU-VDTYLAMSSA-N -1 3 248.238 1.977 20 10 BDCDHM [O-]c1cccc(F)c1CN1CC[C@H](F)[C@@H](O)C1 ZINC001137831505 990853617 /nfs/dbraw/zinc/85/36/17/990853617.db2.gz CAHWFUCTTCCTKP-JQWIXIFHSA-N -1 3 243.253 1.436 20 10 BDCDHM CN(Cc1c([O-])cccc1F)[C@@H]1CCOC1 ZINC001137837814 990858063 /nfs/dbraw/zinc/85/80/63/990858063.db2.gz VRPYGDVNKUEGQV-SECBINFHSA-N -1 3 225.263 1.752 20 10 BDCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@H](CO)C1 ZINC001139684940 991312747 /nfs/dbraw/zinc/31/27/47/991312747.db2.gz RVGUAABDNJHUIO-QMMMGPOBSA-N -1 3 243.253 1.485 20 10 BDCDHM CC(C)([NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000136207726 188145442 /nfs/dbraw/zinc/14/54/42/188145442.db2.gz NQHRLNPHUUMUPZ-UHFFFAOYSA-N -1 3 209.245 1.345 20 10 BDCDHM CCOC(=O)[C@@H](C)N[C@@H](C)c1ccccc1[O-] ZINC000049368730 188124240 /nfs/dbraw/zinc/12/42/40/188124240.db2.gz HRXSUWAXZYXWAL-VHSXEESVSA-N -1 3 237.299 1.994 20 10 BDCDHM O=C(NCC1CCC1)c1cccc(O)c1[O-] ZINC000163270476 182144346 /nfs/dbraw/zinc/14/43/46/182144346.db2.gz IFZCYXFUEXYASL-UHFFFAOYSA-N -1 3 221.256 1.628 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CCn2cncc2C1 ZINC000291568381 183275734 /nfs/dbraw/zinc/27/57/34/183275734.db2.gz NQKDSICBOPMAHZ-UHFFFAOYSA-N -1 3 247.273 1.744 20 10 BDCDHM [O-]c1ccccc1CNCc1cc[nH]n1 ZINC000041014071 183303979 /nfs/dbraw/zinc/30/39/79/183303979.db2.gz TTXYWMVCWUSPLH-UHFFFAOYSA-N -1 3 203.245 1.405 20 10 BDCDHM CCCN(Cc1ccccc1[O-])[C@H]1CCOC1=O ZINC000076074462 169178753 /nfs/dbraw/zinc/17/87/53/169178753.db2.gz TVXNBXNKAUNTTF-LBPRGKRZSA-N -1 3 249.310 1.920 20 10 BDCDHM C[C@H](NCCF)c1cc([N+](=O)[O-])ccc1[O-] ZINC000280873984 385380907 /nfs/dbraw/zinc/38/09/07/385380907.db2.gz AJPZRDWMSPVGCV-ZETCQYMHSA-N -1 3 228.223 1.921 20 10 BDCDHM Cc1ccc(C(=O)NCCF)c([O-])c1O ZINC000281714627 385694299 /nfs/dbraw/zinc/69/42/99/385694299.db2.gz JBXJOVUABFVDOL-UHFFFAOYSA-N -1 3 213.208 1.106 20 10 BDCDHM COC(=O)[C@@H](NCc1ccccc1[O-])C1CC1 ZINC000234563628 386079666 /nfs/dbraw/zinc/07/96/66/386079666.db2.gz VWPZWJVPDMOVQL-LBPRGKRZSA-N -1 3 235.283 1.433 20 10 BDCDHM [O-]c1c(F)cccc1CN(C1CC1)C1COC1 ZINC000296164742 386144633 /nfs/dbraw/zinc/14/46/33/386144633.db2.gz WSNWTTFOSANFJS-UHFFFAOYSA-N -1 3 237.274 1.895 20 10 BDCDHM CO[C@H]1COC[C@@H]1NCc1cccc(F)c1[O-] ZINC000290892873 386487574 /nfs/dbraw/zinc/48/75/74/386487574.db2.gz LKOYPCHSKVXEIF-QWRGUYRKSA-N -1 3 241.262 1.035 20 10 BDCDHM Cc1ccc(C(=O)NC[C@@H]2C[C@H]2C)c([O-])c1O ZINC000267626514 386563039 /nfs/dbraw/zinc/56/30/39/386563039.db2.gz VYHWYFUDURGBAU-BDAKNGLRSA-N -1 3 235.283 1.792 20 10 BDCDHM C[C@@H](N[C@@H](C)c1ccccc1[O-])c1ncn(C)n1 ZINC000275622493 388345309 /nfs/dbraw/zinc/34/53/09/388345309.db2.gz AGEAIVBPEAGZBE-VHSXEESVSA-N -1 3 246.314 1.933 20 10 BDCDHM O=C1OC[C@@H]2CN(Cc3ccccc3[O-])CCN12 ZINC000361054147 397971406 /nfs/dbraw/zinc/97/14/06/397971406.db2.gz UDLMJAZLARUOAW-NSHDSACASA-N -1 3 248.282 1.029 20 10 BDCDHM COCCCN(C)C(=O)c1cccc(O)c1[O-] ZINC000126397299 174213722 /nfs/dbraw/zinc/21/37/22/174213722.db2.gz MHHJRMBNRKUGFF-UHFFFAOYSA-N -1 3 239.271 1.206 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]2C[C@@H]21 ZINC000804300710 583308760 /nfs/dbraw/zinc/30/87/60/583308760.db2.gz ZJEZVANOECOHDL-SCZZXKLOSA-N -1 3 233.267 1.722 20 10 BDCDHM [O-]c1ccc(Cl)cc1CN1C[C@@H]2C[C@]2(O)C1 ZINC000895646592 583699044 /nfs/dbraw/zinc/69/90/44/583699044.db2.gz HKSLTJQFLDIBDL-CABZTGNLSA-N -1 3 239.702 1.612 20 10 BDCDHM CO[C@@H]1CN(Cc2c(C)cccc2[O-])CCO1 ZINC000895963541 583753679 /nfs/dbraw/zinc/75/36/79/583753679.db2.gz PDOSRWMQXFEURB-ZDUSSCGKSA-N -1 3 237.299 1.505 20 10 BDCDHM CN(CCCF)C(=O)c1cc([O-])cs1 ZINC000899815961 584240884 /nfs/dbraw/zinc/24/08/84/584240884.db2.gz JYYBZLCHVFEUTO-UHFFFAOYSA-N -1 3 217.265 1.885 20 10 BDCDHM O=C(NCc1ccco1)c1cc([O-])cs1 ZINC000731861762 584929895 /nfs/dbraw/zinc/92/98/95/584929895.db2.gz MZADFNOPXYHFGD-UHFFFAOYSA-N -1 3 223.253 1.977 20 10 BDCDHM COCCCCNC(=O)c1cc([O-])cs1 ZINC000731869241 584930737 /nfs/dbraw/zinc/93/07/37/584930737.db2.gz DGPKVFLWUVYZNN-UHFFFAOYSA-N -1 3 229.301 1.610 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H](O)C1 ZINC000732258431 584934932 /nfs/dbraw/zinc/93/49/32/584934932.db2.gz ABNAMFJDXBYMNF-SSDOTTSWSA-N -1 3 227.285 1.051 20 10 BDCDHM CN1CCC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732276065 584935224 /nfs/dbraw/zinc/93/52/24/584935224.db2.gz FPIJCTPIYQOOOW-MRVPVSSYSA-N -1 3 240.328 1.278 20 10 BDCDHM CCn1cc(NC(=O)c2cc([O-])cs2)cn1 ZINC000732271151 584935324 /nfs/dbraw/zinc/93/53/24/584935324.db2.gz DEDUQRWDTKXREH-UHFFFAOYSA-N -1 3 237.284 1.922 20 10 BDCDHM CO[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732285611 584935987 /nfs/dbraw/zinc/93/59/87/584935987.db2.gz KBSAMOWTBCVMIW-VIFPVBQESA-N -1 3 241.312 1.705 20 10 BDCDHM Cc1nonc1CNC(=O)c1cc([O-])cs1 ZINC000743419483 585136689 /nfs/dbraw/zinc/13/66/89/585136689.db2.gz VLLMLPYIAUETTD-UHFFFAOYSA-N -1 3 239.256 1.075 20 10 BDCDHM O=C(NCCc1ncc[nH]1)c1cc([O-])cs1 ZINC000746691164 585172187 /nfs/dbraw/zinc/17/21/87/585172187.db2.gz BNJJQDNIKHHMRR-UHFFFAOYSA-N -1 3 237.284 1.149 20 10 BDCDHM COC[C@@H](NC(=O)c1cc([O-])cs1)C1CC1 ZINC000750539778 585217283 /nfs/dbraw/zinc/21/72/83/585217283.db2.gz VDOVGGQDEQECND-SECBINFHSA-N -1 3 241.312 1.609 20 10 BDCDHM C[C@@H]1OCC[C@]1(C)NC(=O)c1cc([O-])cs1 ZINC000753504967 585259931 /nfs/dbraw/zinc/25/99/31/585259931.db2.gz WRQYHMUYSRPBEU-CPCISQLKSA-N -1 3 241.312 1.751 20 10 BDCDHM C[C@]1(CNC(=O)c2cc([O-])cs2)CCCO1 ZINC000755860213 585308844 /nfs/dbraw/zinc/30/88/44/585308844.db2.gz NZKXODGVDANPDD-LLVKDONJSA-N -1 3 241.312 1.753 20 10 BDCDHM CC(C)[C@H](CCO)NC(=O)c1cc([O-])cs1 ZINC000756785228 585323168 /nfs/dbraw/zinc/32/31/68/585323168.db2.gz BLTVZDRGSSAHPE-VIFPVBQESA-N -1 3 243.328 1.591 20 10 BDCDHM CC1(C)COC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000839787988 585341834 /nfs/dbraw/zinc/34/18/34/585341834.db2.gz URHDUJSQBKCHFG-SECBINFHSA-N -1 3 241.312 1.609 20 10 BDCDHM C[C@@H]1CC[C@H](CNC(=O)c2cc([O-])cs2)O1 ZINC000839791599 585371495 /nfs/dbraw/zinc/37/14/95/585371495.db2.gz DEHAPOMTVKVZJX-VXNVDRBHSA-N -1 3 241.312 1.751 20 10 BDCDHM CC[C@@H]1CN(C(=O)c2cc([O-])cs2)C[C@@H]1O ZINC000760978879 585402940 /nfs/dbraw/zinc/40/29/40/585402940.db2.gz CRLMGALHHGWRGG-APPZFPTMSA-N -1 3 241.312 1.297 20 10 BDCDHM O=C(OC[C@@H]1COC(=O)O1)c1cc([O-])cs1 ZINC000763973896 585458013 /nfs/dbraw/zinc/45/80/13/585458013.db2.gz VPXNLVKYFVCLNG-ZCFIWIBFSA-N -1 3 244.224 1.146 20 10 BDCDHM O=C(c1cc([O-])cs1)N(CCO)C1CC1 ZINC000765233845 585483019 /nfs/dbraw/zinc/48/30/19/585483019.db2.gz SGLSHPFTOCMAPF-UHFFFAOYSA-N -1 3 227.285 1.051 20 10 BDCDHM C[C@]1(O)CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000767157623 585514900 /nfs/dbraw/zinc/51/49/00/585514900.db2.gz UALDLWFUSALPMP-NSHDSACASA-N -1 3 241.312 1.441 20 10 BDCDHM CC[C@H](C)[C@H](O)CNC(=O)c1cc([O-])cs1 ZINC000771063149 585589534 /nfs/dbraw/zinc/58/95/34/585589534.db2.gz DWGIYFSCZSKYSC-IONNQARKSA-N -1 3 243.328 1.591 20 10 BDCDHM O=C(N[C@H]1CCCOCC1)c1cc([O-])cs1 ZINC000776498341 585699594 /nfs/dbraw/zinc/69/95/94/585699594.db2.gz JXPYZCBDSAVVDG-QMMMGPOBSA-N -1 3 241.312 1.753 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCO[C@@H](CF)C1 ZINC000839803981 585709783 /nfs/dbraw/zinc/70/97/83/585709783.db2.gz LLIFCYNBVJIIHP-QMMMGPOBSA-N -1 3 245.275 1.264 20 10 BDCDHM C[C@@H]1C[C@@H](O)CN1C(=O)c1cc([O-])cs1 ZINC000788592311 585927409 /nfs/dbraw/zinc/92/74/09/585927409.db2.gz QCIVDCWNTLVIST-RNFRBKRXSA-N -1 3 227.285 1.049 20 10 BDCDHM Cc1c[nH]c(NC(=O)c2cccc(O)c2[O-])n1 ZINC000790885787 585970614 /nfs/dbraw/zinc/97/06/14/585970614.db2.gz VVVHRMGZAODQJM-UHFFFAOYSA-N -1 3 233.227 1.382 20 10 BDCDHM COC(=O)[C@@H](C)NCc1c([O-])cccc1OC ZINC000793358282 586017521 /nfs/dbraw/zinc/01/75/21/586017521.db2.gz PFEOOHZQEORAAW-MRVPVSSYSA-N -1 3 239.271 1.052 20 10 BDCDHM CCOc1ccc([O-])c(C[N@H+](C)CC(=O)[O-])c1 ZINC000820387572 587045493 /nfs/dbraw/zinc/04/54/93/587045493.db2.gz ULZXMQPYIVYWAF-UHFFFAOYSA-N -1 3 239.271 1.307 20 10 BDCDHM CCOc1ccc([O-])c(C[N@@H+](C)CC(=O)[O-])c1 ZINC000820387572 587045494 /nfs/dbraw/zinc/04/54/94/587045494.db2.gz ULZXMQPYIVYWAF-UHFFFAOYSA-N -1 3 239.271 1.307 20 10 BDCDHM CCCCN(CCO)C(=O)c1cc([O-])cs1 ZINC000821361011 587111784 /nfs/dbraw/zinc/11/17/84/587111784.db2.gz YXJMAUCHCBIUSY-UHFFFAOYSA-N -1 3 243.328 1.688 20 10 BDCDHM CC[C@@](C)(O)C(=O)NCc1c([O-])cccc1F ZINC000830180766 587540309 /nfs/dbraw/zinc/54/03/09/587540309.db2.gz SOLBHWALRHSEKC-GFCCVEGCSA-N -1 3 241.262 1.309 20 10 BDCDHM Cc1ccc(O)c(CNC2CN(C(=O)[O-])C2)c1 ZINC000830400695 587550560 /nfs/dbraw/zinc/55/05/60/587550560.db2.gz LYIAIFYXSGAVKT-UHFFFAOYSA-N -1 3 236.271 1.152 20 10 BDCDHM CCC[C@@H](O)CCNC(=O)c1cc([O-])cs1 ZINC000832673557 587676423 /nfs/dbraw/zinc/67/64/23/587676423.db2.gz JIOCQHREJNNURV-MRVPVSSYSA-N -1 3 243.328 1.735 20 10 BDCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)[C@H]1C ZINC000832888673 587694375 /nfs/dbraw/zinc/69/43/75/587694375.db2.gz KYJIQLGSODZEOQ-RQJHMYQMSA-N -1 3 211.286 1.934 20 10 BDCDHM O=C([O-])N1CC(C[NH2+]Cc2ccccc2[O-])C1 ZINC000834068211 587743692 /nfs/dbraw/zinc/74/36/92/587743692.db2.gz AGZSJKNBRAJHLU-UHFFFAOYSA-N -1 3 236.271 1.092 20 10 BDCDHM COC(=O)[C@@H](C)N(C)C(=O)c1cc([O-])cs1 ZINC000834819411 587767416 /nfs/dbraw/zinc/76/74/16/587767416.db2.gz NAHJSUKWJXXHJY-ZCFIWIBFSA-N -1 3 243.284 1.087 20 10 BDCDHM C[C@@H]1C[C@@H](NC(=O)c2cc([O-])cs2)CO1 ZINC000844152995 588171171 /nfs/dbraw/zinc/17/11/71/588171171.db2.gz JFKIKWBZGZUTLI-RNFRBKRXSA-N -1 3 227.285 1.361 20 10 BDCDHM C[C@@H](NCc1cn(C)cn1)c1ccccc1[O-] ZINC000851895212 588641883 /nfs/dbraw/zinc/64/18/83/588641883.db2.gz CCGWRXPANCGYTC-SNVBAGLBSA-N -1 3 231.299 1.977 20 10 BDCDHM C/C=C\CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000863115393 589259414 /nfs/dbraw/zinc/25/94/14/589259414.db2.gz NELZRFPDCIRNSF-ARJAWSKDSA-N -1 3 221.256 1.712 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]1C(F)F ZINC000868606355 589567656 /nfs/dbraw/zinc/56/76/56/589567656.db2.gz RYZQFTWCEKOAMN-SSDOTTSWSA-N -1 3 243.209 1.577 20 10 BDCDHM Cc1ccc(CN2CCO[C@H](C)C2)c([O-])c1 ZINC000876557018 590215561 /nfs/dbraw/zinc/21/55/61/590215561.db2.gz DUMPTKQLSGMIAJ-LLVKDONJSA-N -1 3 221.300 1.921 20 10 BDCDHM COC(=O)CN(C)Cc1ccc(C)cc1[O-] ZINC000876588458 590219274 /nfs/dbraw/zinc/21/92/74/590219274.db2.gz WGIDRFMMXJZCML-UHFFFAOYSA-N -1 3 223.272 1.305 20 10 BDCDHM O=C(NCCc1ccco1)c1cccc(O)c1[O-] ZINC000126301297 590271648 /nfs/dbraw/zinc/27/16/48/590271648.db2.gz BWPWNYBEJMSMOI-UHFFFAOYSA-N -1 3 247.250 1.663 20 10 BDCDHM Cc1ccc(CN2CC(=O)N(C)C[C@@H]2C)c([O-])c1 ZINC000877461307 590331280 /nfs/dbraw/zinc/33/12/80/590331280.db2.gz DKKGRLHHCVWKEH-NSHDSACASA-N -1 3 248.326 1.363 20 10 BDCDHM Cc1cccc([O-])c1CN1CC(=O)N(C)[C@@H](C)C1 ZINC000877500839 590341989 /nfs/dbraw/zinc/34/19/89/590341989.db2.gz DTBBWEZTYAFJQM-NSHDSACASA-N -1 3 248.326 1.363 20 10 BDCDHM Cn1ncc2c1CN(Cc1cc(F)ccc1[O-])C2 ZINC000877633001 590379081 /nfs/dbraw/zinc/37/90/81/590379081.db2.gz VKPSBONPIXALNQ-UHFFFAOYSA-N -1 3 247.273 1.781 20 10 BDCDHM CCN(C#N)CCN(C)Cc1ccccc1[O-] ZINC000878241936 590528652 /nfs/dbraw/zinc/52/86/52/590528652.db2.gz KSFTVEZHAPQKOZ-UHFFFAOYSA-N -1 3 233.315 1.627 20 10 BDCDHM C[C@H](NCc1ccn(C)n1)c1ccccc1[O-] ZINC000213218820 591455980 /nfs/dbraw/zinc/45/59/80/591455980.db2.gz BYNNPSIUYNDCQN-JTQLQIEISA-N -1 3 231.299 1.977 20 10 BDCDHM CNC(=O)CN(C)Cc1c([O-])cccc1Cl ZINC000132593998 591722342 /nfs/dbraw/zinc/72/23/42/591722342.db2.gz NWRBJRCLLVPQQH-UHFFFAOYSA-N -1 3 242.706 1.223 20 10 BDCDHM COC[C@@H]1CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894857781 635957107 /nfs/dbraw/zinc/95/71/07/635957107.db2.gz SQPALSOTBOMLJH-JTQLQIEISA-N -1 3 243.253 1.891 20 10 BDCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000309711553 633996292 /nfs/dbraw/zinc/99/62/92/633996292.db2.gz KDDBOFDFVVLLON-UHFFFAOYSA-N -1 3 221.256 1.580 20 10 BDCDHM CCNC(=S)NCc1c([O-])cccc1F ZINC000905661558 637874332 /nfs/dbraw/zinc/87/43/32/637874332.db2.gz OGEUVLCSZLODTN-UHFFFAOYSA-N -1 3 228.292 1.515 20 10 BDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cn[nH]c1 ZINC000229416802 640953875 /nfs/dbraw/zinc/95/38/75/640953875.db2.gz BTTLGXMPLIUHFT-SSDOTTSWSA-N -1 3 247.254 1.312 20 10 BDCDHM O=C(NCCCF)c1cccc(O)c1[O-] ZINC000189910311 641824783 /nfs/dbraw/zinc/82/47/83/641824783.db2.gz ODRQRDKXURDRDW-UHFFFAOYSA-N -1 3 213.208 1.187 20 10 BDCDHM O=S(=O)(NCc1c([O-])cccc1F)C1CC1 ZINC000921452077 642626773 /nfs/dbraw/zinc/62/67/73/642626773.db2.gz CQGBLPGPIAQLLX-UHFFFAOYSA-N -1 3 245.275 1.113 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC2(C1)CCCO2 ZINC000705816475 712136678 /nfs/dbraw/zinc/13/66/78/712136678.db2.gz XTOFTMYGJOPRLV-UHFFFAOYSA-N -1 3 249.266 1.103 20 10 BDCDHM CC[C@H]([NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000084847067 949046605 /nfs/dbraw/zinc/04/66/05/949046605.db2.gz KPQUMOQJPIVUPC-VIFPVBQESA-N -1 3 209.245 1.345 20 10 BDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccno1 ZINC001148224996 973816651 /nfs/dbraw/zinc/81/66/51/973816651.db2.gz BEKOSSSMEDLSNO-ZETCQYMHSA-N -1 3 248.238 1.577 20 10 BDCDHM O=C([O-])C1=CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC001332423112 975111156 /nfs/dbraw/zinc/11/11/56/975111156.db2.gz KSXDXJRRAOJZEV-NSHDSACASA-N -1 3 233.267 1.655 20 10 BDCDHM Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC001594358496 977631872 /nfs/dbraw/zinc/63/18/72/977631872.db2.gz BJSSWTSRALGPAZ-LLVKDONJSA-N -1 3 235.283 1.750 20 10 BDCDHM Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC001594358496 977631876 /nfs/dbraw/zinc/63/18/76/977631876.db2.gz BJSSWTSRALGPAZ-LLVKDONJSA-N -1 3 235.283 1.750 20 10 BDCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@H](O)C1 ZINC001233332071 978561827 /nfs/dbraw/zinc/56/18/27/978561827.db2.gz XOVHSPOAJMIUSK-QMMMGPOBSA-N -1 3 243.253 1.627 20 10 BDCDHM CO[C@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233332453 978566949 /nfs/dbraw/zinc/56/69/49/978566949.db2.gz LTCBXZAVGORJPS-QMMMGPOBSA-N -1 3 243.253 1.891 20 10 BDCDHM COC[C@H]1CCN1Cc1c([O-])ccc(F)c1F ZINC001233336291 978567893 /nfs/dbraw/zinc/56/78/93/978567893.db2.gz GRVXQEGZLPTCHY-MRVPVSSYSA-N -1 3 243.253 1.891 20 10 BDCDHM C[C@@H]1C[C@H](O)CN1Cc1c([O-])ccc(F)c1F ZINC001233332597 978569356 /nfs/dbraw/zinc/56/93/56/978569356.db2.gz QIDKPGYKIQAYQG-SFYZADRCSA-N -1 3 243.253 1.626 20 10 BDCDHM C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])C(=O)[O-] ZINC001603193487 979398829 /nfs/dbraw/zinc/39/88/29/979398829.db2.gz WLPQCKSZVQSPEQ-RKDXNWHRSA-N -1 3 223.272 1.764 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)NC1CCC1 ZINC001343097463 980007523 /nfs/dbraw/zinc/00/75/23/980007523.db2.gz FYSSIHDVRIOQTO-UHFFFAOYSA-N -1 3 238.262 1.883 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@@H]1F ZINC001348358739 981341300 /nfs/dbraw/zinc/34/13/00/981341300.db2.gz LJUJOKOXRRLFNN-MUWHJKNJSA-N -1 3 227.210 1.506 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@@H]1F ZINC001348358742 981342581 /nfs/dbraw/zinc/34/25/81/981342581.db2.gz LJUJOKOXRRLFNN-RCOVLWMOSA-N -1 3 227.210 1.506 20 10 BDCDHM CCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590637872 982961199 /nfs/dbraw/zinc/96/11/99/982961199.db2.gz HKCFAFYUKJQAOV-QMMMGPOBSA-N -1 3 247.302 1.633 20 10 BDCDHM O=C([O-])[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC001601810909 988887856 /nfs/dbraw/zinc/88/78/56/988887856.db2.gz XDMAMEUYUMKPRR-QWRGUYRKSA-N -1 3 235.283 1.735 20 10 BDCDHM CCn1[nH]cnc1=NCc1c([O-])cccc1F ZINC001120874228 989940182 /nfs/dbraw/zinc/94/01/82/989940182.db2.gz JURGOHYQMRKSGO-UHFFFAOYSA-N -1 3 236.250 1.177 20 10 BDCDHM CC(=O)CN(C)Cc1cccc(F)c1[O-] ZINC001138124081 990886414 /nfs/dbraw/zinc/88/64/14/990886414.db2.gz YQOQOBYOEKUOEN-UHFFFAOYSA-N -1 3 211.236 1.552 20 10 BDCDHM [O-]c1c(F)cccc1CN1C[C@@H](O)C2(CC2)C1 ZINC000368801166 187385040 /nfs/dbraw/zinc/38/50/40/187385040.db2.gz WNQVLHTWHZTBGD-LLVKDONJSA-N -1 3 237.274 1.488 20 10 BDCDHM CCN1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000160195118 353259263 /nfs/dbraw/zinc/25/92/63/353259263.db2.gz XRKARCSZTXKQTH-UHFFFAOYSA-N -1 3 238.306 1.669 20 10 BDCDHM [O-]c1ccccc1CNCC(F)(F)CO ZINC000183873273 183035771 /nfs/dbraw/zinc/03/57/71/183035771.db2.gz WXLDBBIWTLDZQH-UHFFFAOYSA-N -1 3 217.215 1.109 20 10 BDCDHM CN(Cc1nncn1C)Cc1ccccc1[O-] ZINC000111235005 384584021 /nfs/dbraw/zinc/58/40/21/384584021.db2.gz QNZKWFPUDDWLDX-UHFFFAOYSA-N -1 3 232.287 1.153 20 10 BDCDHM CC[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126190874 384744799 /nfs/dbraw/zinc/74/47/99/384744799.db2.gz INJAXIIOTUAGLB-SSDOTTSWSA-N -1 3 209.245 1.626 20 10 BDCDHM CCN(CCOC)C(=O)c1cccc(O)c1[O-] ZINC000126291697 384788868 /nfs/dbraw/zinc/78/88/68/384788868.db2.gz YQJJIPTWYFAOQT-UHFFFAOYSA-N -1 3 239.271 1.206 20 10 BDCDHM C[C@H](C(=O)NC1CC1)N(C)Cc1ccccc1[O-] ZINC000109773588 385191106 /nfs/dbraw/zinc/19/11/06/385191106.db2.gz JTSYZOGFPJUQEV-SNVBAGLBSA-N -1 3 248.326 1.491 20 10 BDCDHM CO[C@H](C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000189627349 385174001 /nfs/dbraw/zinc/17/40/01/385174001.db2.gz GWTBAPXSSPDDQQ-MRVPVSSYSA-N -1 3 239.271 1.171 20 10 BDCDHM COC(=O)c1ccc([O-])c([C@H](C)NCCF)c1 ZINC000280975900 385623552 /nfs/dbraw/zinc/62/35/52/385623552.db2.gz ISVRMRVCRVVYRI-QMMMGPOBSA-N -1 3 241.262 1.799 20 10 BDCDHM Cc1ccc(C(=O)NCC(F)F)c([O-])c1O ZINC000182536510 385679571 /nfs/dbraw/zinc/67/95/71/385679571.db2.gz DURNCJNDISSBCQ-UHFFFAOYSA-N -1 3 231.198 1.401 20 10 BDCDHM CC(=O)N1CCN(Cc2ccccc2[O-])[C@@H](C)C1 ZINC000271468154 385830317 /nfs/dbraw/zinc/83/03/17/385830317.db2.gz YEUJYPYSUCPZEP-NSHDSACASA-N -1 3 248.326 1.445 20 10 BDCDHM COC(=O)CN(Cc1ccccc1[O-])C1CC1 ZINC000271468420 385830997 /nfs/dbraw/zinc/83/09/97/385830997.db2.gz YKIGZNZVEIBIRI-UHFFFAOYSA-N -1 3 235.283 1.530 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H](F)[C@@H](F)C1 ZINC000295719275 386075593 /nfs/dbraw/zinc/07/55/93/386075593.db2.gz KUEKCZCADGMGEK-OCAPTIKFSA-N -1 3 243.209 1.230 20 10 BDCDHM COC[C@H]1CCN1Cc1cccc(F)c1[O-] ZINC000293616198 386849444 /nfs/dbraw/zinc/84/94/44/386849444.db2.gz KKPRLOWAGCQPFS-SNVBAGLBSA-N -1 3 225.263 1.752 20 10 BDCDHM C[C@H](N[C@@H](C)c1ccccc1[O-])c1ncn(C)n1 ZINC000275622492 388345239 /nfs/dbraw/zinc/34/52/39/388345239.db2.gz AGEAIVBPEAGZBE-UWVGGRQHSA-N -1 3 246.314 1.933 20 10 BDCDHM CC1=CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000230812868 168098689 /nfs/dbraw/zinc/09/86/89/168098689.db2.gz AFCWIZPXCALSRU-UHFFFAOYSA-N -1 3 233.267 1.890 20 10 BDCDHM CCOCCN(C)C(=O)c1cccc(O)c1[O-] ZINC000126492888 170388690 /nfs/dbraw/zinc/38/86/90/170388690.db2.gz VLKYLDQBYPJIDZ-UHFFFAOYSA-N -1 3 239.271 1.206 20 10 BDCDHM CC[C@H](C)N(OC)C(=O)c1cccc(O)c1[O-] ZINC000279828568 171316967 /nfs/dbraw/zinc/31/69/67/171316967.db2.gz MYCMFVWNMYZUNW-QMMMGPOBSA-N -1 3 239.271 1.900 20 10 BDCDHM COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)C(=O)[O-])c1 ZINC000049353976 175160064 /nfs/dbraw/zinc/16/00/64/175160064.db2.gz IPTYVMQUEVGTEZ-JGVFFNPUSA-N -1 3 239.271 1.525 20 10 BDCDHM C[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000163272097 176107561 /nfs/dbraw/zinc/10/75/61/176107561.db2.gz IDXJKRFDCBUVLG-MRVPVSSYSA-N -1 3 221.256 1.722 20 10 BDCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])[C@H]1C ZINC000294043999 177228387 /nfs/dbraw/zinc/22/83/87/177228387.db2.gz KHMVLFXUWZAZJE-YUMQZZPRSA-N -1 3 221.256 1.578 20 10 BDCDHM [O-]c1ccc(F)cc1CNC(CF)CF ZINC000824554290 587275720 /nfs/dbraw/zinc/27/57/20/587275720.db2.gz DVQANJODVUUYHL-UHFFFAOYSA-N -1 3 219.206 1.929 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H](O)CC1 ZINC000854671563 588800520 /nfs/dbraw/zinc/80/05/20/588800520.db2.gz LEQJEGIYFLTGQZ-MRVPVSSYSA-N -1 3 241.312 1.441 20 10 BDCDHM O=C(NC1(C2CC2)CC1)c1cccc(O)c1[O-] ZINC000829306972 582855163 /nfs/dbraw/zinc/85/51/63/582855163.db2.gz LUOQWYGQWDKGLB-UHFFFAOYSA-N -1 3 233.267 1.770 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CC[C@@H]2C[C@@H]2C1 ZINC000856060741 588858698 /nfs/dbraw/zinc/85/86/98/588858698.db2.gz BJCJCBKPTNPUJY-HTQZYQBOSA-N -1 3 223.297 1.936 20 10 BDCDHM CCn1cc(CN2Cc3cccc([O-])c3C2)nn1 ZINC000895785189 583727279 /nfs/dbraw/zinc/72/72/79/583727279.db2.gz OWVULETWDMRHQF-UHFFFAOYSA-N -1 3 244.298 1.519 20 10 BDCDHM C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@H]1O ZINC000897678345 584035964 /nfs/dbraw/zinc/03/59/64/584035964.db2.gz AIYUXJWHXZCUPF-OIBJUYFYSA-N -1 3 243.253 1.483 20 10 BDCDHM CCOC(=O)CCNC(=O)c1cc([O-])cs1 ZINC000731871081 584929990 /nfs/dbraw/zinc/92/99/90/584929990.db2.gz DDIIHYNHAJRYLF-UHFFFAOYSA-N -1 3 243.284 1.137 20 10 BDCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)[C@@H](C)CO1 ZINC000731868506 584930643 /nfs/dbraw/zinc/93/06/43/584930643.db2.gz HAZFGEBOASWYFR-YUMQZZPRSA-N -1 3 241.312 1.703 20 10 BDCDHM O=C(OCCn1cccn1)c1cc([O-])cs1 ZINC000731912614 584931049 /nfs/dbraw/zinc/93/10/49/584931049.db2.gz UWTXIXYDBYEQCX-UHFFFAOYSA-N -1 3 238.268 1.507 20 10 BDCDHM CCCNC(=O)COC(=O)c1cc([O-])cs1 ZINC000731910460 584931052 /nfs/dbraw/zinc/93/10/52/584931052.db2.gz RRYSBTJWFLIVDE-UHFFFAOYSA-N -1 3 243.284 1.137 20 10 BDCDHM C[C@@H]1C[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000732269651 584935375 /nfs/dbraw/zinc/93/53/75/584935375.db2.gz GVVHOSGSIQXJGC-RQJHMYQMSA-N -1 3 211.286 1.840 20 10 BDCDHM O=C(NCC1CCOCC1)c1cc([O-])cs1 ZINC000732281535 584935832 /nfs/dbraw/zinc/93/58/32/584935832.db2.gz OBMYJWUUVVKNSE-UHFFFAOYSA-N -1 3 241.312 1.610 20 10 BDCDHM O=C(NOCCC1CC1)c1cccc(O)c1[O-] ZINC000817388439 584985976 /nfs/dbraw/zinc/98/59/76/584985976.db2.gz WWEXUMQLZGQWNH-UHFFFAOYSA-N -1 3 237.255 1.559 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CC(OC(F)F)C1 ZINC000839143693 585094673 /nfs/dbraw/zinc/09/46/73/585094673.db2.gz JNYPKRDDZXSXFA-UHFFFAOYSA-N -1 3 247.216 1.955 20 10 BDCDHM C[C@H](CCO)CNC(=O)c1cc([O-])cs1 ZINC000760178632 585386258 /nfs/dbraw/zinc/38/62/58/585386258.db2.gz UTYKRQVDQQGSKS-SSDOTTSWSA-N -1 3 229.301 1.202 20 10 BDCDHM CC(C)[C@@H](CO)NC(=O)c1cc([O-])cs1 ZINC000761162102 585411642 /nfs/dbraw/zinc/41/16/42/585411642.db2.gz CNSNCZOPBQHSRF-MRVPVSSYSA-N -1 3 229.301 1.200 20 10 BDCDHM COc1cccc([O-])c1CNCc1ccn(C)n1 ZINC000765790864 585492935 /nfs/dbraw/zinc/49/29/35/585492935.db2.gz NUFQEMHZFAUQIK-UHFFFAOYSA-N -1 3 247.298 1.424 20 10 BDCDHM CCOCCN(C)C(=O)c1cc([O-])cs1 ZINC000772930666 585627545 /nfs/dbraw/zinc/62/75/45/585627545.db2.gz HEFUBMUSCIXHMN-UHFFFAOYSA-N -1 3 229.301 1.562 20 10 BDCDHM C[C@H](O)CN(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000776521805 585699913 /nfs/dbraw/zinc/69/99/13/585699913.db2.gz UNNVBAISOWFRPL-ZETCQYMHSA-N -1 3 247.697 1.997 20 10 BDCDHM O=C(N[C@H](CO)CC1CC1)c1cc([O-])cs1 ZINC000778511193 585736434 /nfs/dbraw/zinc/73/64/34/585736434.db2.gz NYPYCPTVFRQKIF-QMMMGPOBSA-N -1 3 241.312 1.345 20 10 BDCDHM [O-]c1ccccc1CN1CCc2c[nH]nc2C1 ZINC000779017784 585743671 /nfs/dbraw/zinc/74/36/71/585743671.db2.gz BPRBOSGAYIALEO-UHFFFAOYSA-N -1 3 229.283 1.674 20 10 BDCDHM CSCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000780857583 585785356 /nfs/dbraw/zinc/78/53/56/585785356.db2.gz YARBYDHSDCRLJM-UHFFFAOYSA-N -1 3 241.312 1.499 20 10 BDCDHM CC(C)C[C@@H](CO)NC(=O)c1cc([O-])cs1 ZINC000782122589 585807922 /nfs/dbraw/zinc/80/79/22/585807922.db2.gz ARUIYYFUJNULOY-QMMMGPOBSA-N -1 3 243.328 1.591 20 10 BDCDHM COCCC(C)(C)NC(=O)c1cc([O-])cs1 ZINC000802579632 586306041 /nfs/dbraw/zinc/30/60/41/586306041.db2.gz DRTPXYGXELLZKV-UHFFFAOYSA-N -1 3 243.328 1.999 20 10 BDCDHM Cc1cc(Cl)cc(C[NH2+]CCC(=O)[O-])c1[O-] ZINC000820976943 587086203 /nfs/dbraw/zinc/08/62/03/587086203.db2.gz WXJRLZURAYISEE-UHFFFAOYSA-N -1 3 243.690 1.918 20 10 BDCDHM Cc1cccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])c1[O-] ZINC000821112365 587096463 /nfs/dbraw/zinc/09/64/63/587096463.db2.gz VQECCROIRGMVOU-NSHDSACASA-N -1 3 235.283 1.750 20 10 BDCDHM Cc1cccc(C[N@H+]2CCC[C@H]2C(=O)[O-])c1[O-] ZINC000821112365 587096465 /nfs/dbraw/zinc/09/64/65/587096465.db2.gz VQECCROIRGMVOU-NSHDSACASA-N -1 3 235.283 1.750 20 10 BDCDHM [O-]c1ccccc1CN1CCc2nccnc2C1 ZINC000827692990 587396786 /nfs/dbraw/zinc/39/67/86/587396786.db2.gz UZPSMBOMNSCZSN-UHFFFAOYSA-N -1 3 241.294 1.741 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCC[C@H]1CCO ZINC000832544420 587665554 /nfs/dbraw/zinc/66/55/54/587665554.db2.gz ZPNNEAIIOAXKMG-QMMMGPOBSA-N -1 3 241.312 1.441 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CC2(CC2)C1 ZINC000833322884 587705983 /nfs/dbraw/zinc/70/59/83/587705983.db2.gz RGMFYPMMUVZSNK-UHFFFAOYSA-N -1 3 209.270 1.690 20 10 BDCDHM CN(Cc1cncnc1)Cc1ccccc1[O-] ZINC000120027578 589357810 /nfs/dbraw/zinc/35/78/10/589357810.db2.gz JTMMOTWMYRLLIM-UHFFFAOYSA-N -1 3 229.283 1.814 20 10 BDCDHM CCC[C@@H](CCO)NC(=O)c1cc([O-])cs1 ZINC000869869411 589633798 /nfs/dbraw/zinc/63/37/98/589633798.db2.gz ZWSOZWVICMONQV-QMMMGPOBSA-N -1 3 243.328 1.735 20 10 BDCDHM [O-]c1c(CN2CC[C@@H](CO)C2)ccc(F)c1F ZINC000876660518 590227396 /nfs/dbraw/zinc/22/73/96/590227396.db2.gz UUAVZFDMXLZSIA-MRVPVSSYSA-N -1 3 243.253 1.485 20 10 BDCDHM Cc1cc(CNC(=O)c2cccc(O)c2[O-])on1 ZINC000126359513 590287774 /nfs/dbraw/zinc/28/77/74/590287774.db2.gz ZFFZCVGSPUMNBH-UHFFFAOYSA-N -1 3 248.238 1.324 20 10 BDCDHM CCN1CN(Cc2c(C)cccc2[O-])CC1=O ZINC000877473527 590336040 /nfs/dbraw/zinc/33/60/40/590336040.db2.gz IUBNAZLINYTGAC-UHFFFAOYSA-N -1 3 234.299 1.322 20 10 BDCDHM Cc1cccc([O-])c1CN1CC(=O)N(C2CC2)C1 ZINC000877486625 590338672 /nfs/dbraw/zinc/33/86/72/590338672.db2.gz ORZHRZVPPVPLCL-UHFFFAOYSA-N -1 3 246.310 1.465 20 10 BDCDHM Cc1cccc([O-])c1CN(CCO)CC(F)F ZINC000877491446 590340388 /nfs/dbraw/zinc/34/03/88/590340388.db2.gz SSERWRUONFZTGA-UHFFFAOYSA-N -1 3 245.269 1.760 20 10 BDCDHM Cc1cccc([O-])c1CN1CCn2cncc2C1 ZINC000877538751 590350632 /nfs/dbraw/zinc/35/06/32/590350632.db2.gz DDUWEIRFVXCKGZ-UHFFFAOYSA-N -1 3 243.310 1.913 20 10 BDCDHM Cc1[nH]nc(NC(=O)c2cccc(O)c2[O-])c1C ZINC000126649185 590392145 /nfs/dbraw/zinc/39/21/45/590392145.db2.gz GMNPPYZOEOXUDR-UHFFFAOYSA-N -1 3 247.254 1.690 20 10 BDCDHM [O-]c1cccc2c1CN(Cc1ccon1)C2 ZINC000877702579 590396074 /nfs/dbraw/zinc/39/60/74/590396074.db2.gz CDQPEOZHYZXQAX-UHFFFAOYSA-N -1 3 216.240 1.896 20 10 BDCDHM Cn1cc(CN2Cc3cccc([O-])c3C2)cn1 ZINC000877704005 590397585 /nfs/dbraw/zinc/39/75/85/590397585.db2.gz VVEWKAZVIGKCME-UHFFFAOYSA-N -1 3 229.283 1.642 20 10 BDCDHM CNC(=O)CN(C)Cc1cc(Cl)ccc1[O-] ZINC000132592461 591722100 /nfs/dbraw/zinc/72/21/00/591722100.db2.gz KLFBRQQTFQDWHB-UHFFFAOYSA-N -1 3 242.706 1.223 20 10 BDCDHM [O-]c1ccccc1CN[C@H](CCO)C(F)(F)F ZINC000886371507 592220736 /nfs/dbraw/zinc/22/07/36/592220736.db2.gz NOQCKWODVPXFIW-SNVBAGLBSA-N -1 3 249.232 1.795 20 10 BDCDHM CCN(CC[NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000739433329 602311369 /nfs/dbraw/zinc/31/13/69/602311369.db2.gz BGJBPWQZGOFYAM-UHFFFAOYSA-N -1 3 238.287 1.482 20 10 BDCDHM CC(C)(C[NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000162953725 605111477 /nfs/dbraw/zinc/11/14/77/605111477.db2.gz RHYMECGVZQHIKP-UHFFFAOYSA-N -1 3 223.272 1.593 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC=CCC1 ZINC000166067619 633106115 /nfs/dbraw/zinc/10/61/15/633106115.db2.gz ABQXYINQLHKZDD-UHFFFAOYSA-N -1 3 219.240 1.500 20 10 BDCDHM C[C@@H]1C[N@H+](Cc2ccccc2[O-])CC[C@@H]1C(=O)[O-] ZINC000306071586 642719533 /nfs/dbraw/zinc/71/95/33/642719533.db2.gz WQWCDUSQPDYHJX-PWSUYJOCSA-N -1 3 249.310 1.935 20 10 BDCDHM C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@@H]1C(=O)[O-] ZINC000306071586 642719540 /nfs/dbraw/zinc/71/95/40/642719540.db2.gz WQWCDUSQPDYHJX-PWSUYJOCSA-N -1 3 249.310 1.935 20 10 BDCDHM O=S1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180080740 642768694 /nfs/dbraw/zinc/76/86/94/642768694.db2.gz JSDNDLIILXCVHW-UHFFFAOYSA-N -1 3 243.303 1.096 20 10 BDCDHM O=C(Nc1nncs1)c1cccc(O)c1[O-] ZINC000163266128 963634067 /nfs/dbraw/zinc/63/40/67/963634067.db2.gz GHYGDBFLGAEPMX-UHFFFAOYSA-N -1 3 237.240 1.202 20 10 BDCDHM [O-]c1cc(F)c(F)cc1CN1CCCOCC1 ZINC001142509000 964345536 /nfs/dbraw/zinc/34/55/36/964345536.db2.gz SKHGWBLTLDGJIM-UHFFFAOYSA-N -1 3 243.253 1.893 20 10 BDCDHM [O-]c1c(Cl)cccc1CN1CC(CO)C1 ZINC001231912186 977799238 /nfs/dbraw/zinc/79/92/38/977799238.db2.gz XWWVYQRQUVZRHY-UHFFFAOYSA-N -1 3 227.691 1.470 20 10 BDCDHM CO[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233332452 978568606 /nfs/dbraw/zinc/56/86/06/978568606.db2.gz LTCBXZAVGORJPS-MRVPVSSYSA-N -1 3 243.253 1.891 20 10 BDCDHM CN(C(=O)c1cc(O)c([O-])c(O)c1)C(C)(C)C ZINC001148583779 973868985 /nfs/dbraw/zinc/86/89/85/973868985.db2.gz AZGSRCWLMRBZQE-UHFFFAOYSA-N -1 3 239.271 1.674 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CCC(F)CC1 ZINC000689834936 958412735 /nfs/dbraw/zinc/41/27/35/958412735.db2.gz DIWLMKFJKFMCLB-UHFFFAOYSA-N -1 3 239.246 1.672 20 10 BDCDHM O=C(NC/C=C/Cl)c1cccc(O)c1[O-] ZINC001158551849 963884859 /nfs/dbraw/zinc/88/48/59/963884859.db2.gz GWWIKGPLGWFUPW-GORDUTHDSA-N -1 3 227.647 1.580 20 10 BDCDHM [O-]c1cccc(F)c1CN1C[C@H]2CC[C@@H](C1)O2 ZINC001137831517 967820284 /nfs/dbraw/zinc/82/02/84/967820284.db2.gz CGLKVEOYTIARTH-AOOOYVTPSA-N -1 3 237.274 1.895 20 10 BDCDHM Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001600543483 978700154 /nfs/dbraw/zinc/70/01/54/978700154.db2.gz YWLCDJMWQJUTAY-GHMZBOCLSA-N -1 3 249.310 1.996 20 10 BDCDHM Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001600543483 978700160 /nfs/dbraw/zinc/70/01/60/978700160.db2.gz YWLCDJMWQJUTAY-GHMZBOCLSA-N -1 3 249.310 1.996 20 10 BDCDHM O=C(CC1CC1)NCc1c([O-])cccc1F ZINC001340179828 978986192 /nfs/dbraw/zinc/98/61/92/978986192.db2.gz VEFSVBLMAOMNSU-UHFFFAOYSA-N -1 3 223.247 1.948 20 10 BDCDHM Cc1ccc(C[NH2+]CCCC(=O)[O-])c([O-])c1 ZINC001605278066 979852111 /nfs/dbraw/zinc/85/21/11/979852111.db2.gz YUCRDBGAGRZJFA-UHFFFAOYSA-N -1 3 223.272 1.655 20 10 BDCDHM O=C([O-])[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC001601810912 988890510 /nfs/dbraw/zinc/89/05/10/988890510.db2.gz XDMAMEUYUMKPRR-WDEREUQCSA-N -1 3 235.283 1.735 20 10 BDCDHM CN1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137831526 990854218 /nfs/dbraw/zinc/85/42/18/990854218.db2.gz CTAHADZOKQQKQN-UHFFFAOYSA-N -1 3 224.279 1.279 20 10 BDCDHM CN(Cc1cccc(F)c1[O-])C1(C)COC1 ZINC001138128660 990886994 /nfs/dbraw/zinc/88/69/94/990886994.db2.gz SZSYDMRNMDOUBS-UHFFFAOYSA-N -1 3 225.263 1.752 20 10 BDCDHM C[C@]1(O)CCN(Cc2c([O-])c(F)ccc2F)C1 ZINC001139681276 991311268 /nfs/dbraw/zinc/31/12/68/991311268.db2.gz OFDMYTASOOHKEB-LBPRGKRZSA-N -1 3 243.253 1.627 20 10 BDCDHM [O-]c1c(F)ccc(F)c1CN1CCC[C@@H]1CO ZINC001139680918 991312064 /nfs/dbraw/zinc/31/20/64/991312064.db2.gz FPBLGVPPBKLKOZ-MRVPVSSYSA-N -1 3 243.253 1.627 20 10 BDCDHM CN(C)c1ccc(CN[C@@H](CF)C(=O)[O-])cc1 ZINC001598320838 991321363 /nfs/dbraw/zinc/32/13/63/991321363.db2.gz VLBGZKODNYIWKK-NSHDSACASA-N -1 3 240.278 1.265 20 10 BDCDHM COC(=O)[C@@H]1CCN1Cc1cc(F)ccc1[O-] ZINC001140057693 991506618 /nfs/dbraw/zinc/50/66/18/991506618.db2.gz KITUBJHDXCWALL-JTQLQIEISA-N -1 3 239.246 1.279 20 10 BDCDHM O=C([O-])[C@H]([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000083407741 991611166 /nfs/dbraw/zinc/61/11/66/991611166.db2.gz RQWLJDVMMWLDEF-LLVKDONJSA-N -1 3 221.256 1.345 20 10 BDCDHM CN(Cc1ccc(Cl)cc1[O-])C1COC1 ZINC001140466958 991644012 /nfs/dbraw/zinc/64/40/12/991644012.db2.gz NONLLYUZNKHVRS-UHFFFAOYSA-N -1 3 227.691 1.876 20 10 BDCDHM O=C(COC(F)F)NCc1c([O-])cccc1F ZINC001262209248 992804167 /nfs/dbraw/zinc/80/41/67/992804167.db2.gz DIYCZASRYQMLBW-UHFFFAOYSA-N -1 3 249.188 1.387 20 10 BDCDHM Cc1cc(CNCc2ccccc2[O-])on1 ZINC000044985523 178027219 /nfs/dbraw/zinc/02/72/19/178027219.db2.gz WGABTRBFHVHPMS-UHFFFAOYSA-N -1 3 218.256 1.978 20 10 BDCDHM Cc1ccc(C(=O)N[C@H]2CC2(C)C)c([O-])c1O ZINC000272760550 178432345 /nfs/dbraw/zinc/43/23/45/178432345.db2.gz LJXIBRABVHXWAX-VIFPVBQESA-N -1 3 235.283 1.935 20 10 BDCDHM O=C(N[C@H]1CCSC1)c1cccc(O)c1[O-] ZINC000231355718 182338758 /nfs/dbraw/zinc/33/87/58/182338758.db2.gz JLULPOGAJATHLI-ZETCQYMHSA-N -1 3 239.296 1.333 20 10 BDCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@H](O)C1 ZINC000295446756 183259304 /nfs/dbraw/zinc/25/93/04/183259304.db2.gz UXMNPYLQZSJAFU-QMMMGPOBSA-N -1 3 245.681 1.751 20 10 BDCDHM [O-]c1c(F)cccc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000160246603 384671557 /nfs/dbraw/zinc/67/15/57/384671557.db2.gz OXYLQNQSHJFJAH-PHIMTYICSA-N -1 3 237.274 1.895 20 10 BDCDHM CCN(CCO)Cc1c([O-])cccc1Cl ZINC000127963359 384917809 /nfs/dbraw/zinc/91/78/09/384917809.db2.gz SDWVKIDPRRGLJW-UHFFFAOYSA-N -1 3 229.707 1.860 20 10 BDCDHM CN(Cc1cnn(C)c1)Cc1cccc(F)c1[O-] ZINC000272272478 385889501 /nfs/dbraw/zinc/88/95/01/385889501.db2.gz LRJXEEAALSXPRF-UHFFFAOYSA-N -1 3 249.289 1.897 20 10 BDCDHM CO[C@@H](C)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000276265951 386293607 /nfs/dbraw/zinc/29/36/07/386293607.db2.gz XICUJIIDJPTDNI-YUMQZZPRSA-N -1 3 239.271 1.251 20 10 BDCDHM CCN(CC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000267625146 386562775 /nfs/dbraw/zinc/56/27/75/386562775.db2.gz VUWOVEWWCOWFBM-UHFFFAOYSA-N -1 3 223.272 1.888 20 10 BDCDHM CO[C@@H](C)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000286395370 387578481 /nfs/dbraw/zinc/57/84/81/387578481.db2.gz MWAFFLWCIRCXTL-QMMMGPOBSA-N -1 3 239.271 1.205 20 10 BDCDHM CCn1ncc(CNCc2ccccc2[O-])n1 ZINC000527738070 387703756 /nfs/dbraw/zinc/70/37/56/387703756.db2.gz XJPMLKMTVVSGBR-UHFFFAOYSA-N -1 3 232.287 1.293 20 10 BDCDHM CC1(C)[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@@H]21 ZINC000193097123 168012127 /nfs/dbraw/zinc/01/21/27/168012127.db2.gz WVJJDVGOQSWPLF-AOOOYVTPSA-N -1 3 247.294 1.826 20 10 BDCDHM CCN(CC(=O)OC)Cc1ccccc1[O-] ZINC000272217304 411432919 /nfs/dbraw/zinc/43/29/19/411432919.db2.gz BGXGYTJIJXXQFL-UHFFFAOYSA-N -1 3 223.272 1.387 20 10 BDCDHM CC[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000177658315 171337830 /nfs/dbraw/zinc/33/78/30/171337830.db2.gz NBYBFWNUHXSCGR-QMMMGPOBSA-N -1 3 223.272 1.935 20 10 BDCDHM COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)C(=O)[O-])c1 ZINC000049353980 175160891 /nfs/dbraw/zinc/16/08/91/175160891.db2.gz IPTYVMQUEVGTEZ-HTQZYQBOSA-N -1 3 239.271 1.525 20 10 BDCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000163272605 176163026 /nfs/dbraw/zinc/16/30/26/176163026.db2.gz OIYDUBINBJAPOG-MRVPVSSYSA-N -1 3 221.256 1.580 20 10 BDCDHM CN(C(=O)c1cc([O-])cs1)C1(CO)CC1 ZINC000854436183 588786851 /nfs/dbraw/zinc/78/68/51/588786851.db2.gz RWJKDKVRXYOQNW-UHFFFAOYSA-N -1 3 227.285 1.051 20 10 BDCDHM CN(CC(C)(C)CO)C(=O)c1cc([O-])cs1 ZINC000854746988 588805084 /nfs/dbraw/zinc/80/50/84/588805084.db2.gz KOLJGBUQEZBFCM-UHFFFAOYSA-N -1 3 243.328 1.544 20 10 BDCDHM CC12CC(C1)CN2C(=O)c1cccc(O)c1[O-] ZINC000856513121 588874666 /nfs/dbraw/zinc/87/46/66/588874666.db2.gz RADXLDYPCBYTAR-UHFFFAOYSA-N -1 3 233.267 1.722 20 10 BDCDHM Cc1ccc(CNCc2ncc[nH]2)c([O-])c1 ZINC000877672279 583343445 /nfs/dbraw/zinc/34/34/45/583343445.db2.gz AAZDJYBDJGNYAS-UHFFFAOYSA-N -1 3 217.272 1.714 20 10 BDCDHM Cc1ccc(CN2CC[C@H](O)[C@@H](F)C2)c([O-])c1 ZINC000898182394 584093426 /nfs/dbraw/zinc/09/34/26/584093426.db2.gz COISBHRVJRYUEW-RYUDHWBXSA-N -1 3 239.290 1.605 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CC[C@@H](O)[C@H](F)C1 ZINC000898187869 584093747 /nfs/dbraw/zinc/09/37/47/584093747.db2.gz MKSNVMUEYZAPJJ-ZYHUDNBSSA-N -1 3 243.253 1.436 20 10 BDCDHM [O-]c1ccccc1CN1CC[C@H](O)[C@@H](F)C1 ZINC000898194189 584095990 /nfs/dbraw/zinc/09/59/90/584095990.db2.gz WAHARMHFQCRCCP-JQWIXIFHSA-N -1 3 225.263 1.297 20 10 BDCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)CCO1 ZINC000731865031 584930126 /nfs/dbraw/zinc/93/01/26/584930126.db2.gz IIQYYPNUGKBKJS-SSDOTTSWSA-N -1 3 227.285 1.315 20 10 BDCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)N(C)C ZINC000731910475 584931083 /nfs/dbraw/zinc/93/10/83/584931083.db2.gz RTLKNWQWEIYQCB-LURJTMIESA-N -1 3 243.284 1.087 20 10 BDCDHM O=C(NC1CCOCC1)c1cc([O-])cs1 ZINC000732273950 584935404 /nfs/dbraw/zinc/93/54/04/584935404.db2.gz MFRYLNKHVQZGIJ-UHFFFAOYSA-N -1 3 227.285 1.363 20 10 BDCDHM O=C(NC[C@H]1CCCOC1)c1cc([O-])cs1 ZINC000732274392 584935453 /nfs/dbraw/zinc/93/54/53/584935453.db2.gz HWKSKOFBMGGJHU-MRVPVSSYSA-N -1 3 241.312 1.610 20 10 BDCDHM CN(CC(C)(C)O)C(=O)c1cc([O-])cs1 ZINC000748420025 585192861 /nfs/dbraw/zinc/19/28/61/585192861.db2.gz UWZLAUTZZSKZMB-UHFFFAOYSA-N -1 3 229.301 1.297 20 10 BDCDHM CC1CC(NC(=O)c2cc([O-])cs2)C1 ZINC000752815663 585250432 /nfs/dbraw/zinc/25/04/32/585250432.db2.gz BIDQVDYQYKSDSU-UHFFFAOYSA-N -1 3 211.286 1.982 20 10 BDCDHM CO[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000752821007 585250647 /nfs/dbraw/zinc/25/06/47/585250647.db2.gz QWQPCTNVMSBMLK-QMMMGPOBSA-N -1 3 227.285 1.315 20 10 BDCDHM C[C@@H]1C[C@H](O)CN(C(=O)c2cc([O-])cs2)C1 ZINC000839793365 585419104 /nfs/dbraw/zinc/41/91/04/585419104.db2.gz QFBTUTPQJPNZDH-SFYZADRCSA-N -1 3 241.312 1.297 20 10 BDCDHM C[C@H](O)CCN(C)C(=O)c1cc([O-])cs1 ZINC000764324443 585463641 /nfs/dbraw/zinc/46/36/41/585463641.db2.gz NCVHNJIYDWFDKD-ZETCQYMHSA-N -1 3 229.301 1.297 20 10 BDCDHM Cc1ccc(C(=O)NCc2ncc[nH]2)c([O-])c1O ZINC000770489885 585574958 /nfs/dbraw/zinc/57/49/58/585574958.db2.gz CSYPYYCMRBKHHU-UHFFFAOYSA-N -1 3 247.254 1.059 20 10 BDCDHM CC(C)[C@H](O)CNC(=O)c1cc([O-])cs1 ZINC000771051821 585588808 /nfs/dbraw/zinc/58/88/08/585588808.db2.gz BQMFTIFCMGTJCX-MRVPVSSYSA-N -1 3 229.301 1.200 20 10 BDCDHM C[C@@H](NCc1ccccc1[O-])c1ncnn1C ZINC000788971522 585932619 /nfs/dbraw/zinc/93/26/19/585932619.db2.gz KKPGNEZLROVCFV-SECBINFHSA-N -1 3 232.287 1.372 20 10 BDCDHM COC(=O)[C@H](C)NCc1c([O-])cccc1OC ZINC000793183176 586013598 /nfs/dbraw/zinc/01/35/98/586013598.db2.gz PFEOOHZQEORAAW-QMMMGPOBSA-N -1 3 239.271 1.052 20 10 BDCDHM CCN(C[C@@H](C)OC)C(=O)c1cc([O-])cs1 ZINC000812778145 586583996 /nfs/dbraw/zinc/58/39/96/586583996.db2.gz HAFKFLDLQFREMO-MRVPVSSYSA-N -1 3 243.328 1.951 20 10 BDCDHM Cc1ccc(C(=O)NCC(C)(F)F)c([O-])c1O ZINC000818261118 586882244 /nfs/dbraw/zinc/88/22/44/586882244.db2.gz FASGYHWHGXMUCN-UHFFFAOYSA-N -1 3 245.225 1.791 20 10 BDCDHM Cc1cc([O-])c(C[NH2+]CCCC(=O)[O-])cc1C ZINC000818849186 586914248 /nfs/dbraw/zinc/91/42/48/586914248.db2.gz CCJSUMUKFHHROY-UHFFFAOYSA-N -1 3 237.299 1.963 20 10 BDCDHM CC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)[O-] ZINC000820419170 587047438 /nfs/dbraw/zinc/04/74/38/587047438.db2.gz NPDLWPQGACLQKJ-PSASIEDQSA-N -1 3 223.272 1.906 20 10 BDCDHM Cc1cccc(C[N@@H+](CC(=O)[O-])C(C)C)c1[O-] ZINC000821111969 587096691 /nfs/dbraw/zinc/09/66/91/587096691.db2.gz DIZUOGSECSWSHG-UHFFFAOYSA-N -1 3 237.299 1.996 20 10 BDCDHM Cc1cccc(C[N@H+](CC(=O)[O-])C(C)C)c1[O-] ZINC000821111969 587096693 /nfs/dbraw/zinc/09/66/93/587096693.db2.gz DIZUOGSECSWSHG-UHFFFAOYSA-N -1 3 237.299 1.996 20 10 BDCDHM COc1cccc([O-])c1CNC(CF)CF ZINC000824555096 587275872 /nfs/dbraw/zinc/27/58/72/587275872.db2.gz PWAOELBHWDYTNE-UHFFFAOYSA-N -1 3 231.242 1.798 20 10 BDCDHM C[C@@H]1[C@@H](C)CN1C(=O)c1cc([O-])cs1 ZINC000832888670 587694534 /nfs/dbraw/zinc/69/45/34/587694534.db2.gz KYJIQLGSODZEOQ-NKWVEPMBSA-N -1 3 211.286 1.934 20 10 BDCDHM CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cccc(C)c1[O-] ZINC000844938704 588219572 /nfs/dbraw/zinc/21/95/72/588219572.db2.gz WJPDPWCOOQEMGJ-NSHDSACASA-N -1 3 237.299 1.996 20 10 BDCDHM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000844938704 588219573 /nfs/dbraw/zinc/21/95/73/588219573.db2.gz WJPDPWCOOQEMGJ-NSHDSACASA-N -1 3 237.299 1.996 20 10 BDCDHM COCC(=O)NCc1cc(Cl)ccc1[O-] ZINC000846479280 588267208 /nfs/dbraw/zinc/26/72/08/588267208.db2.gz JPEGTVCJEOKIDG-UHFFFAOYSA-N -1 3 229.663 1.308 20 10 BDCDHM COC(=O)[C@H]1CCCN1Cc1ccc(C)cc1[O-] ZINC000876563193 590216445 /nfs/dbraw/zinc/21/64/45/590216445.db2.gz ZWGYGBCJSOXGLP-GFCCVEGCSA-N -1 3 249.310 1.838 20 10 BDCDHM Cc1n[nH]c(C)c1NC(=O)c1cccc(O)c1[O-] ZINC000126259761 590262260 /nfs/dbraw/zinc/26/22/60/590262260.db2.gz NQUHBNABGSYRAE-UHFFFAOYSA-N -1 3 247.254 1.690 20 10 BDCDHM C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000126568287 590351287 /nfs/dbraw/zinc/35/12/87/590351287.db2.gz FSAXBSXBFGIVAZ-RKDXNWHRSA-N -1 3 235.283 1.968 20 10 BDCDHM Cc1cccc([O-])c1CN1CC(C)(O)C1 ZINC000877580886 590365312 /nfs/dbraw/zinc/36/53/12/590365312.db2.gz JAHYHRMZDQDSGL-UHFFFAOYSA-N -1 3 207.273 1.267 20 10 BDCDHM Cc1cccc([O-])c1CN1CCO[C@@H](CF)C1 ZINC000877588034 590369245 /nfs/dbraw/zinc/36/92/45/590369245.db2.gz VDGGKMYDDRRWPZ-NSHDSACASA-N -1 3 239.290 1.871 20 10 BDCDHM Cc1cccc([O-])c1CN1Cc2cnn(C)c2C1 ZINC000877632484 590379219 /nfs/dbraw/zinc/37/92/19/590379219.db2.gz ASALIMNTWUQDPB-UHFFFAOYSA-N -1 3 243.310 1.950 20 10 BDCDHM C[C@H](NCc1cnon1)c1ccccc1[O-] ZINC000879650265 590843125 /nfs/dbraw/zinc/84/31/25/590843125.db2.gz SLISKKVANAIERZ-QMMMGPOBSA-N -1 3 219.244 1.626 20 10 BDCDHM O=C([O-])[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000083403826 604788468 /nfs/dbraw/zinc/78/84/68/604788468.db2.gz CJTGZOXTMMDJIV-JTQLQIEISA-N -1 3 221.256 1.441 20 10 BDCDHM O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000083403826 604788469 /nfs/dbraw/zinc/78/84/69/604788469.db2.gz CJTGZOXTMMDJIV-JTQLQIEISA-N -1 3 221.256 1.441 20 10 BDCDHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)C(N)=O ZINC000309725573 632661240 /nfs/dbraw/zinc/66/12/40/632661240.db2.gz XTJNLKDAZOXPKE-RXMQYKEDSA-N -1 3 246.669 1.148 20 10 BDCDHM Cc1ccc(C(=O)Nc2cnn(C)c2)c([O-])c1O ZINC000177671267 632858399 /nfs/dbraw/zinc/85/83/99/632858399.db2.gz QLFHEYWTQAVJLQ-UHFFFAOYSA-N -1 3 247.254 1.392 20 10 BDCDHM O=C(NCc1ccno1)c1cccc(O)c1[O-] ZINC000229417115 640953733 /nfs/dbraw/zinc/95/37/33/640953733.db2.gz FUTBNTNFUYDQPP-UHFFFAOYSA-N -1 3 234.211 1.016 20 10 BDCDHM COC(=O)[C@H](C)NCc1cc(Cl)ccc1[O-] ZINC000037074059 712535585 /nfs/dbraw/zinc/53/55/85/712535585.db2.gz KQNGMFZWOAKCAQ-ZETCQYMHSA-N -1 3 243.690 1.697 20 10 BDCDHM CC(C)[N@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447053 977590538 /nfs/dbraw/zinc/59/05/38/977590538.db2.gz NUMVNFOOWANVFU-UHFFFAOYSA-N -1 3 223.272 1.931 20 10 BDCDHM CC(C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447053 977590548 /nfs/dbraw/zinc/59/05/48/977590548.db2.gz NUMVNFOOWANVFU-UHFFFAOYSA-N -1 3 223.272 1.931 20 10 BDCDHM COc1cc([O-])c(CN2CC(O)C2)cc1Cl ZINC001232266938 977989917 /nfs/dbraw/zinc/98/99/17/977989917.db2.gz SWXSMPKLNHZETM-UHFFFAOYSA-N -1 3 243.690 1.231 20 10 BDCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](O)C1 ZINC001233331535 978560879 /nfs/dbraw/zinc/56/08/79/978560879.db2.gz AESKWLWFEKFPRK-SSDOTTSWSA-N -1 3 229.226 1.237 20 10 BDCDHM C[C@@H]([NH2+][C@@H](C)C(=O)[O-])c1ccccc1[O-] ZINC000049353269 948909544 /nfs/dbraw/zinc/90/95/44/948909544.db2.gz APSSINNZPFUMQH-SFYZADRCSA-N -1 3 209.245 1.516 20 10 BDCDHM C[C@H]1CN(Cc2c([O-])cc(F)cc2F)C[C@H]1O ZINC001140582992 959004856 /nfs/dbraw/zinc/00/48/56/959004856.db2.gz SJDDHZCUKIPJNP-JVXZTZIISA-N -1 3 243.253 1.483 20 10 BDCDHM Cc1ncn(C)c1NC(=O)c1cccc(O)c1[O-] ZINC001148212260 973814427 /nfs/dbraw/zinc/81/44/27/973814427.db2.gz UGZLQQGIHHZACM-UHFFFAOYSA-N -1 3 247.254 1.392 20 10 BDCDHM Cc1c[nH]nc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582125 973867511 /nfs/dbraw/zinc/86/75/11/973867511.db2.gz XVWYSIRABGKEJB-UHFFFAOYSA-N -1 3 249.226 1.087 20 10 BDCDHM C[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445943 977589633 /nfs/dbraw/zinc/58/96/33/977589633.db2.gz CVDKMOSSJDJZFY-VIFPVBQESA-N -1 3 235.283 1.932 20 10 BDCDHM C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231445943 977589640 /nfs/dbraw/zinc/58/96/40/977589640.db2.gz CVDKMOSSJDJZFY-VIFPVBQESA-N -1 3 235.283 1.932 20 10 BDCDHM CC[N@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231448620 977591841 /nfs/dbraw/zinc/59/18/41/977591841.db2.gz LFJAKKACMGMYRF-UHFFFAOYSA-N -1 3 209.245 1.542 20 10 BDCDHM CC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231448620 977591853 /nfs/dbraw/zinc/59/18/53/977591853.db2.gz LFJAKKACMGMYRF-UHFFFAOYSA-N -1 3 209.245 1.542 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)c1ccnnc1 ZINC001596911600 978275733 /nfs/dbraw/zinc/27/57/33/978275733.db2.gz IALXWZBZVYLCBQ-UHFFFAOYSA-N -1 3 247.229 1.251 20 10 BDCDHM Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001600543486 978702278 /nfs/dbraw/zinc/70/22/78/978702278.db2.gz YWLCDJMWQJUTAY-WDEREUQCSA-N -1 3 249.310 1.996 20 10 BDCDHM Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001600543486 978702288 /nfs/dbraw/zinc/70/22/88/978702288.db2.gz YWLCDJMWQJUTAY-WDEREUQCSA-N -1 3 249.310 1.996 20 10 BDCDHM O=C([O-])[C@H](CF)[NH2+]Cc1cc(F)ccc1[O-] ZINC001601651340 978826783 /nfs/dbraw/zinc/82/67/83/978826783.db2.gz TYBDYALZCYYUBP-QMMMGPOBSA-N -1 3 231.198 1.044 20 10 BDCDHM CC[C@@H](C[NH2+]Cc1c(C)cccc1[O-])C(=O)[O-] ZINC001595167408 979720726 /nfs/dbraw/zinc/72/07/26/979720726.db2.gz NQMLBDSHSSXGBY-JTQLQIEISA-N -1 3 237.299 1.901 20 10 BDCDHM Cc1ccc(C[NH+]2CC(C)(C(=O)[O-])C2)c([O-])c1 ZINC001607779106 980127464 /nfs/dbraw/zinc/12/74/64/980127464.db2.gz AXKFIIRQVMNLGC-UHFFFAOYSA-N -1 3 235.283 1.607 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)c1ccncc1 ZINC001471974760 987151731 /nfs/dbraw/zinc/15/17/31/987151731.db2.gz JDRUEOPJQVEWIT-UHFFFAOYSA-N -1 3 246.241 1.856 20 10 BDCDHM C[C@@]1(O)CCN(Cc2c([O-])c(F)ccc2F)C1 ZINC001139681275 991309833 /nfs/dbraw/zinc/30/98/33/991309833.db2.gz OFDMYTASOOHKEB-GFCCVEGCSA-N -1 3 243.253 1.627 20 10 BDCDHM CN(Cc1cc(F)ccc1[O-])Cc1ncccn1 ZINC001140057793 991506949 /nfs/dbraw/zinc/50/69/49/991506949.db2.gz MPUVZQBCLXSKFY-UHFFFAOYSA-N -1 3 247.273 1.953 20 10 BDCDHM O=C1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC001140057125 991511113 /nfs/dbraw/zinc/51/11/13/991511113.db2.gz CSBWVWMUDKNOAN-UHFFFAOYSA-N -1 3 223.247 1.696 20 10 BDCDHM [O-]c1cccc(Cl)c1CN1C[C@@H](O)[C@@H](F)C1 ZINC001140337812 991610605 /nfs/dbraw/zinc/61/06/05/991610605.db2.gz GQONWDISCAMONQ-GXSJLCMTSA-N -1 3 245.681 1.560 20 10 BDCDHM O=C([O-])[C@@H]([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000083407736 991611148 /nfs/dbraw/zinc/61/11/48/991611148.db2.gz RQWLJDVMMWLDEF-NSHDSACASA-N -1 3 221.256 1.345 20 10 BDCDHM CON(C(=O)c1cccc(O)c1[O-])C(C)C ZINC001261728045 992466413 /nfs/dbraw/zinc/46/64/13/992466413.db2.gz IUVJTCAFAWURND-UHFFFAOYSA-N -1 3 225.244 1.510 20 10 BDCDHM O=C(NCCCC(F)F)c1cccc(O)c1[O-] ZINC001262205790 992801794 /nfs/dbraw/zinc/80/17/94/992801794.db2.gz AXYGBJZZRQZYAG-UHFFFAOYSA-N -1 3 245.225 1.873 20 10 BDCDHM CCN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000138236110 345760661 /nfs/dbraw/zinc/76/06/61/345760661.db2.gz OYNGSISGRNZMAX-UHFFFAOYSA-N -1 3 238.306 1.669 20 10 BDCDHM O=C(NC1CC(F)(F)C1)c1cccc(O)c1[O-] ZINC000277665060 182093316 /nfs/dbraw/zinc/09/33/16/182093316.db2.gz VPVSXLJPRHUXCZ-UHFFFAOYSA-N -1 3 243.209 1.625 20 10 BDCDHM C[C@H](NCc1cccc(F)c1[O-])C(=O)N(C)C ZINC000158693627 384256029 /nfs/dbraw/zinc/25/60/29/384256029.db2.gz RFMQGNMUDPJXPI-QMMMGPOBSA-N -1 3 240.278 1.098 20 10 BDCDHM CCN(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000163269491 384782977 /nfs/dbraw/zinc/78/29/77/384782977.db2.gz XWCKVDGTRMMQPB-UHFFFAOYSA-N -1 3 221.256 1.722 20 10 BDCDHM CN(Cc1cccc(F)c1[O-])[C@H]1CCOC1 ZINC000165419554 385123167 /nfs/dbraw/zinc/12/31/67/385123167.db2.gz WTUFZHFDMPAOAH-JTQLQIEISA-N -1 3 225.263 1.752 20 10 BDCDHM CC(C)=CCNC(=O)c1cccc(O)c1[O-] ZINC000191762410 385324559 /nfs/dbraw/zinc/32/45/59/385324559.db2.gz TVIPWVWLTCLNMM-UHFFFAOYSA-N -1 3 221.256 1.794 20 10 BDCDHM C[C@]1(NCc2ccccc2[O-])CCOC1=O ZINC000289746927 385357371 /nfs/dbraw/zinc/35/73/71/385357371.db2.gz HYWXJBLVMBEBBS-LBPRGKRZSA-N -1 3 221.256 1.187 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1CF ZINC000294247150 385827813 /nfs/dbraw/zinc/82/78/13/385827813.db2.gz XVMDNTRXHYHTLJ-MRVPVSSYSA-N -1 3 239.246 1.672 20 10 BDCDHM Cc1ccc(C(=O)N[C@H](C)CF)c([O-])c1O ZINC000291949132 386600926 /nfs/dbraw/zinc/60/09/26/386600926.db2.gz NYJLSKZZXYCHGZ-SSDOTTSWSA-N -1 3 227.235 1.494 20 10 BDCDHM CSCCONC(=O)c1cccc(O)c1[O-] ZINC000280023662 386770107 /nfs/dbraw/zinc/77/01/07/386770107.db2.gz NYASGFUAZYJWTN-UHFFFAOYSA-N -1 3 243.284 1.122 20 10 BDCDHM CCCCNC(=O)c1cccc(O)c1[O-] ZINC000163268323 388260878 /nfs/dbraw/zinc/26/08/78/388260878.db2.gz AGDDLDXGBPFMEJ-UHFFFAOYSA-N -1 3 209.245 1.628 20 10 BDCDHM CCOC(=O)[C@H]1CCCN1Cc1ccccc1[O-] ZINC000180768130 170280469 /nfs/dbraw/zinc/28/04/69/170280469.db2.gz RBSZJYZKOFQFBP-GFCCVEGCSA-N -1 3 249.310 1.920 20 10 BDCDHM C[C@@H]1COCCN1Cc1ccccc1[O-] ZINC000132606062 176337904 /nfs/dbraw/zinc/33/79/04/176337904.db2.gz FZSHPGJTTXUXRF-SNVBAGLBSA-N -1 3 207.273 1.613 20 10 BDCDHM COCOCCCNC(=O)c1cc([O-])cs1 ZINC000854762982 588806085 /nfs/dbraw/zinc/80/60/85/588806085.db2.gz RGITTZHPOLCIDR-UHFFFAOYSA-N -1 3 245.300 1.194 20 10 BDCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@H](O)C1 ZINC000893945881 583256973 /nfs/dbraw/zinc/25/69/73/583256973.db2.gz JADQWHKSHULKCA-VIFPVBQESA-N -1 3 229.226 1.237 20 10 BDCDHM Cn1ncnc1CN1Cc2cccc([O-])c2C1 ZINC000877702807 583343522 /nfs/dbraw/zinc/34/35/22/583343522.db2.gz IHTORULQVLGCQM-UHFFFAOYSA-N -1 3 230.271 1.037 20 10 BDCDHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2C2CC2)c([O-])c1O ZINC000797769422 583929772 /nfs/dbraw/zinc/92/97/72/583929772.db2.gz CHPJDUKCRUBQTL-WDEREUQCSA-N -1 3 247.294 1.935 20 10 BDCDHM Cc1ccc(CN2CC[C@@H](O)[C@H](F)C2)c([O-])c1 ZINC000898182396 584092983 /nfs/dbraw/zinc/09/29/83/584092983.db2.gz COISBHRVJRYUEW-VXGBXAGGSA-N -1 3 239.290 1.605 20 10 BDCDHM Cc1ccc(CN2CC[C@@H](O)[C@@H](F)C2)c([O-])c1 ZINC000898182392 584093480 /nfs/dbraw/zinc/09/34/80/584093480.db2.gz COISBHRVJRYUEW-NWDGAFQWSA-N -1 3 239.290 1.605 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CC[C@H](O)[C@H](F)C1 ZINC000898187868 584093929 /nfs/dbraw/zinc/09/39/29/584093929.db2.gz MKSNVMUEYZAPJJ-PWSUYJOCSA-N -1 3 243.253 1.436 20 10 BDCDHM COC1CN(Cc2c([O-])ccc3ccncc32)C1 ZINC000738226521 584886949 /nfs/dbraw/zinc/88/69/49/584886949.db2.gz XOGIBOWGUFSBCQ-UHFFFAOYSA-N -1 3 244.294 1.771 20 10 BDCDHM Cc1nccc(CNC(=O)c2cc([O-])cs2)n1 ZINC000731870793 584930225 /nfs/dbraw/zinc/93/02/25/584930225.db2.gz PCZKTZLMCACQIT-UHFFFAOYSA-N -1 3 249.295 1.482 20 10 BDCDHM C[C@@H]1CO[C@@H](C)CN1C(=O)c1cc([O-])cs1 ZINC000731868505 584930457 /nfs/dbraw/zinc/93/04/57/584930457.db2.gz HAZFGEBOASWYFR-SFYZADRCSA-N -1 3 241.312 1.703 20 10 BDCDHM O=C(NC[C@H]1CCCCO1)c1cc([O-])cs1 ZINC000732277899 584935625 /nfs/dbraw/zinc/93/56/25/584935625.db2.gz VKOLCYCYVUSIOM-SECBINFHSA-N -1 3 241.312 1.753 20 10 BDCDHM COCC[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000732283650 584935800 /nfs/dbraw/zinc/93/58/00/584935800.db2.gz RODIORLMRQDIGP-ZETCQYMHSA-N -1 3 229.301 1.609 20 10 BDCDHM CO[C@@H](C)CCNC(=O)c1cc([O-])cs1 ZINC000732282019 584935811 /nfs/dbraw/zinc/93/58/11/584935811.db2.gz HHWMZLNBMQCHGF-ZETCQYMHSA-N -1 3 229.301 1.609 20 10 BDCDHM CCOC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732353301 584936157 /nfs/dbraw/zinc/93/61/57/584936157.db2.gz FJDSVJNYKGLMFH-LURJTMIESA-N -1 3 244.268 1.562 20 10 BDCDHM CC[N@H+](CC(=O)[O-])Cc1cc(C)c(C)cc1[O-] ZINC000737075366 585024929 /nfs/dbraw/zinc/02/49/29/585024929.db2.gz QGYBJNPEPKNICX-UHFFFAOYSA-N -1 3 237.299 1.916 20 10 BDCDHM CC[N@@H+](CC(=O)[O-])Cc1cc(C)c(C)cc1[O-] ZINC000737075366 585024930 /nfs/dbraw/zinc/02/49/30/585024930.db2.gz QGYBJNPEPKNICX-UHFFFAOYSA-N -1 3 237.299 1.916 20 10 BDCDHM COc1cccc([O-])c1CN1CC[C@H](F)C1 ZINC000824570267 585028833 /nfs/dbraw/zinc/02/88/33/585028833.db2.gz ABOCJQPLMIVCDV-VIFPVBQESA-N -1 3 225.263 1.945 20 10 BDCDHM C[C@H]1CC[C@H](CNC(=O)c2cc([O-])cs2)O1 ZINC000839791597 585371566 /nfs/dbraw/zinc/37/15/66/585371566.db2.gz DEHAPOMTVKVZJX-IONNQARKSA-N -1 3 241.312 1.751 20 10 BDCDHM CN(C(=O)c1cc([O-])cs1)[C@H]1CCOC1 ZINC000762566934 585434215 /nfs/dbraw/zinc/43/42/15/585434215.db2.gz AQNHWCAQXPDAJO-ZETCQYMHSA-N -1 3 227.285 1.315 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H](CO)C1 ZINC000768943303 585546654 /nfs/dbraw/zinc/54/66/54/585546654.db2.gz BBUXBTBLTPRUSQ-MRVPVSSYSA-N -1 3 241.312 1.298 20 10 BDCDHM O=C(NCCc1ccc[nH]1)c1cc([O-])cs1 ZINC000772921662 585627569 /nfs/dbraw/zinc/62/75/69/585627569.db2.gz RFWDRRKLGZSZLC-UHFFFAOYSA-N -1 3 236.296 1.754 20 10 BDCDHM CN(Cc1cc[nH]n1)Cc1cc(F)ccc1[O-] ZINC000779015090 585744017 /nfs/dbraw/zinc/74/40/17/585744017.db2.gz MTIVLVDFXFWOPW-UHFFFAOYSA-N -1 3 235.262 1.886 20 10 BDCDHM Cc1ccc(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c([O-])c1O ZINC000787719437 585914535 /nfs/dbraw/zinc/91/45/35/585914535.db2.gz GQOKUZBUBSSWDX-JZYVYDRUSA-N -1 3 247.294 1.935 20 10 BDCDHM C[C@@H]1CC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000807755593 586448767 /nfs/dbraw/zinc/44/87/67/586448767.db2.gz RGFOUKDNPOZIKO-HTRCEHHLSA-N -1 3 211.286 1.982 20 10 BDCDHM C[C@H](CO)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809745046 586516516 /nfs/dbraw/zinc/51/65/16/586516516.db2.gz CNZDUMXQJULCOH-SSDOTTSWSA-N -1 3 247.697 1.997 20 10 BDCDHM COC1(C)CN(Cc2cc(F)ccc2[O-])C1 ZINC000813332367 586600329 /nfs/dbraw/zinc/60/03/29/586600329.db2.gz XABVGZDLXCAVBV-UHFFFAOYSA-N -1 3 225.263 1.752 20 10 BDCDHM CN(Cc1ccccc1[O-])[C@H]1CC(C)(C)OC1=O ZINC000814178828 586615995 /nfs/dbraw/zinc/61/59/95/586615995.db2.gz DZFHZEWMFRWAEJ-NSHDSACASA-N -1 3 249.310 1.918 20 10 BDCDHM C[C@H](NCC(F)(F)CN)c1cc(F)ccc1[O-] ZINC000817966656 586855183 /nfs/dbraw/zinc/85/51/83/586855183.db2.gz SOHAVPVWDXVRPK-ZETCQYMHSA-N -1 3 248.248 1.776 20 10 BDCDHM Cc1cc(Cl)cc(C[NH2+][C@H](C)C(=O)[O-])c1[O-] ZINC000820976666 587085639 /nfs/dbraw/zinc/08/56/39/587085639.db2.gz QTDIJYHLVVCRNI-SSDOTTSWSA-N -1 3 243.690 1.917 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCOC1 ZINC000830180520 587540350 /nfs/dbraw/zinc/54/03/50/587540350.db2.gz OYXMTLCWSBBSJM-QMMMGPOBSA-N -1 3 239.246 1.184 20 10 BDCDHM CC[C@@H](C[C@H](C)O)NC(=O)c1cc([O-])cs1 ZINC000831318338 587598301 /nfs/dbraw/zinc/59/83/01/587598301.db2.gz MQIUPETZQKMWCX-YUMQZZPRSA-N -1 3 243.328 1.733 20 10 BDCDHM Cc1cccc(C[N@@H+](CC(=O)[O-])CC2CC2)c1[O-] ZINC000844937859 588219442 /nfs/dbraw/zinc/21/94/42/588219442.db2.gz YOFLLKHZQBYXJI-UHFFFAOYSA-N -1 3 249.310 1.997 20 10 BDCDHM Cc1cccc(C[N@H+](CC(=O)[O-])CC2CC2)c1[O-] ZINC000844937859 588219443 /nfs/dbraw/zinc/21/94/43/588219443.db2.gz YOFLLKHZQBYXJI-UHFFFAOYSA-N -1 3 249.310 1.997 20 10 BDCDHM C[C@H](C[NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC000848638861 588403066 /nfs/dbraw/zinc/40/30/66/588403066.db2.gz WZPOWTOVFDQEDL-SSDOTTSWSA-N -1 3 227.235 1.342 20 10 BDCDHM Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c1[O-] ZINC000874044597 590086644 /nfs/dbraw/zinc/08/66/44/590086644.db2.gz GKWDUICGJKVOIN-LBPRGKRZSA-N -1 3 249.310 1.997 20 10 BDCDHM Cc1cccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1[O-] ZINC000874044597 590086645 /nfs/dbraw/zinc/08/66/45/590086645.db2.gz GKWDUICGJKVOIN-LBPRGKRZSA-N -1 3 249.310 1.997 20 10 BDCDHM Cc1cccc(C[NH2+][C@H]2C[C@@H](C(=O)[O-])C2)c1[O-] ZINC000874046388 590087219 /nfs/dbraw/zinc/08/72/19/590087219.db2.gz WUFWHIQYCXXMBY-PHIMTYICSA-N -1 3 235.283 1.653 20 10 BDCDHM O=C([O-])[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000874054202 590088379 /nfs/dbraw/zinc/08/83/79/590088379.db2.gz WUDIGSNZALAUKE-MGCOHNPYSA-N -1 3 221.256 1.345 20 10 BDCDHM C[C@@]1(O)CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876792799 590241891 /nfs/dbraw/zinc/24/18/91/590241891.db2.gz ZMNGHOIHRPKWES-GFCCVEGCSA-N -1 3 243.253 1.627 20 10 BDCDHM COCC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000126544812 590336042 /nfs/dbraw/zinc/33/60/42/590336042.db2.gz TZQQRNVWADSMBJ-UHFFFAOYSA-N -1 3 239.271 1.253 20 10 BDCDHM CCn1ncc(CN2Cc3cccc([O-])c3C2)n1 ZINC000877702748 590396330 /nfs/dbraw/zinc/39/63/30/590396330.db2.gz FYVTVPUVQUBIFE-UHFFFAOYSA-N -1 3 244.298 1.519 20 10 BDCDHM CO[C@@H]1CC[C@H]1N(C)C(=O)c1cc([O-])cs1 ZINC000889330885 591765102 /nfs/dbraw/zinc/76/51/02/591765102.db2.gz FMIUARRGLFJODE-RKDXNWHRSA-N -1 3 241.312 1.703 20 10 BDCDHM C[C@H]1CCC(=O)CN1C(=O)c1cc([O-])cs1 ZINC000885079612 592047698 /nfs/dbraw/zinc/04/76/98/592047698.db2.gz ZBALNFXBTVSBNQ-ZETCQYMHSA-N -1 3 239.296 1.647 20 10 BDCDHM CCOc1ccc(C[NH2+][C@H](C)C(=O)[O-])c([O-])c1 ZINC000739508708 597152731 /nfs/dbraw/zinc/15/27/31/597152731.db2.gz XLXRFXRGQGBRSU-MRVPVSSYSA-N -1 3 239.271 1.354 20 10 BDCDHM NC(=O)C1(NCc2cccc(Cl)c2[O-])CC1 ZINC000191484433 641925041 /nfs/dbraw/zinc/92/50/41/641925041.db2.gz OCNTVJHJBYLANV-UHFFFAOYSA-N -1 3 240.690 1.153 20 10 BDCDHM CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000234057439 643390974 /nfs/dbraw/zinc/39/09/74/643390974.db2.gz DQIJKWUQWOYJOF-JTQLQIEISA-N -1 3 241.262 1.826 20 10 BDCDHM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000234057439 643390977 /nfs/dbraw/zinc/39/09/77/643390977.db2.gz DQIJKWUQWOYJOF-JTQLQIEISA-N -1 3 241.262 1.826 20 10 BDCDHM O=C(NC1(C(F)F)CC1)c1cccc(O)c1[O-] ZINC000700228311 711988226 /nfs/dbraw/zinc/98/82/26/711988226.db2.gz GDKVUGJRRRCXJL-UHFFFAOYSA-N -1 3 243.209 1.625 20 10 BDCDHM Cc1nn(C)cc1NC(=O)c1cccc(O)c1[O-] ZINC000380843449 710591781 /nfs/dbraw/zinc/59/17/81/710591781.db2.gz LSMQWELVKUBUPL-UHFFFAOYSA-N -1 3 247.254 1.392 20 10 BDCDHM CN(Cc1cc(F)cc(F)c1[O-])[C@@H]1CCOC1 ZINC000708412071 712194357 /nfs/dbraw/zinc/19/43/57/712194357.db2.gz FPCCBNMHOQHVPC-SNVBAGLBSA-N -1 3 243.253 1.891 20 10 BDCDHM COc1cc(C)c(C[NH2+][C@H](C)C(=O)[O-])c([O-])c1 ZINC001594054121 977489930 /nfs/dbraw/zinc/48/99/30/977489930.db2.gz HWIPXWFCCQIIRK-MRVPVSSYSA-N -1 3 239.271 1.272 20 10 BDCDHM CN(Cc1cc[nH]n1)C(=O)c1cccc(O)c1[O-] ZINC000400042160 962191810 /nfs/dbraw/zinc/19/18/10/962191810.db2.gz PQDYFEGYEDRMAP-UHFFFAOYSA-N -1 3 247.254 1.093 20 10 BDCDHM CNc1ccccc1NCCCc1c[n-][nH]c1=O ZINC001164394973 965870948 /nfs/dbraw/zinc/87/09/48/965870948.db2.gz IQVSRNIAEDMRFV-JTQLQIEISA-N -1 3 246.314 1.652 20 10 BDCDHM COCCN(C)Cc1c([O-])cccc1F ZINC001137831580 967819773 /nfs/dbraw/zinc/81/97/73/967819773.db2.gz GCQWJXZNMVXCSF-UHFFFAOYSA-N -1 3 213.252 1.610 20 10 BDCDHM C[C@H](CC(=O)[O-])[NH2+][C@H]1CCc2cccc([O-])c21 ZINC001609888473 970585731 /nfs/dbraw/zinc/58/57/31/970585731.db2.gz MKXGPOVVPDNROH-SCZZXKLOSA-N -1 3 235.283 1.832 20 10 BDCDHM O=C(Nc1ccc[nH]1)c1cccc(O)c1[O-] ZINC001148211895 973813219 /nfs/dbraw/zinc/81/32/19/973813219.db2.gz BISROQPJPYKPRE-UHFFFAOYSA-N -1 3 218.212 1.678 20 10 BDCDHM [O-]c1cc(O)c(CN2CCOCC2)cc1Cl ZINC001232257451 977981464 /nfs/dbraw/zinc/98/14/64/977981464.db2.gz DAKYNXOYNWRYRO-UHFFFAOYSA-N -1 3 243.690 1.583 20 10 BDCDHM Cc1ccc(C[NH2+]C(C)(C)C(=O)[O-])c([O-])c1 ZINC001607782979 980127434 /nfs/dbraw/zinc/12/74/34/980127434.db2.gz JRHVCDKYEWHBKS-UHFFFAOYSA-N -1 3 223.272 1.653 20 10 BDCDHM CC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(C)cc1[O-] ZINC001589443479 982790635 /nfs/dbraw/zinc/79/06/35/982790635.db2.gz JTJKMAZRUXVLMT-NSHDSACASA-N -1 3 237.299 1.996 20 10 BDCDHM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC001589443479 982790645 /nfs/dbraw/zinc/79/06/45/982790645.db2.gz JTJKMAZRUXVLMT-NSHDSACASA-N -1 3 237.299 1.996 20 10 BDCDHM CC(=O)C[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000717111002 983819783 /nfs/dbraw/zinc/81/97/83/983819783.db2.gz BFGTZYUFNYGJSK-ZETCQYMHSA-N -1 3 237.255 1.195 20 10 BDCDHM [O-]c1cccc(F)c1CN1C[C@@H](F)C[C@H]1CO ZINC001137831881 990855413 /nfs/dbraw/zinc/85/54/13/990855413.db2.gz QWHQGZAYJIXLIQ-IUCAKERBSA-N -1 3 243.253 1.436 20 10 BDCDHM CCN(Cc1cccc(F)c1[O-])C1COC1 ZINC001138128446 990887557 /nfs/dbraw/zinc/88/75/57/990887557.db2.gz KRNAMVSLDSDLMM-UHFFFAOYSA-N -1 3 225.263 1.752 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)c1ccc[nH]1 ZINC001558455472 990946488 /nfs/dbraw/zinc/94/64/88/990946488.db2.gz UTXRWFOPOITXKW-UHFFFAOYSA-N -1 3 234.230 1.789 20 10 BDCDHM [O-]c1cc(Cl)ccc1CN1CC2(COC2)C1 ZINC001140461709 991643032 /nfs/dbraw/zinc/64/30/32/991643032.db2.gz RMJPSDOXKCTGEY-UHFFFAOYSA-N -1 3 239.702 1.878 20 10 BDCDHM COC1CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140461363 991643942 /nfs/dbraw/zinc/64/39/42/991643942.db2.gz JKQOVAAJOIGVLI-UHFFFAOYSA-N -1 3 227.691 1.876 20 10 BDCDHM C[C@@H](O)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593462539 995386940 /nfs/dbraw/zinc/38/69/40/995386940.db2.gz MEEDHNAQPMNZNY-HTQZYQBOSA-N -1 3 239.271 1.122 20 10 BDCDHM Cc1cc(Cl)cc(CN(C)CC(N)=O)c1[O-] ZINC000271808247 178063065 /nfs/dbraw/zinc/06/30/65/178063065.db2.gz MUGHANAHWNSGSS-UHFFFAOYSA-N -1 3 242.706 1.271 20 10 BDCDHM COC(=O)[C@@H](C)NCc1ccccc1[O-] ZINC000042303999 344450101 /nfs/dbraw/zinc/45/01/01/344450101.db2.gz GFYYFTHUQFUFNK-MRVPVSSYSA-N -1 3 209.245 1.043 20 10 BDCDHM Cc1nccn1CC(=O)c1ccc([O-])c(O)c1 ZINC000036389219 180233270 /nfs/dbraw/zinc/23/32/70/180233270.db2.gz KSGAXVJQIURHFA-UHFFFAOYSA-N -1 3 232.239 1.486 20 10 BDCDHM O=C(NC1CCCC1)c1cccc(O)c1[O-] ZINC000126191494 182112015 /nfs/dbraw/zinc/11/20/15/182112015.db2.gz UTXWZDBTIVNMAZ-UHFFFAOYSA-N -1 3 221.256 1.770 20 10 BDCDHM [O-]c1ccccc1CN1CCn2cncc2C1 ZINC000291443715 183301134 /nfs/dbraw/zinc/30/11/34/183301134.db2.gz CBBPUJAFRJJLLT-UHFFFAOYSA-N -1 3 229.283 1.605 20 10 BDCDHM CN(CC1CC1)C(=O)c1cccc(O)c1[O-] ZINC000163272325 384784343 /nfs/dbraw/zinc/78/43/43/384784343.db2.gz NDTVSRGOOQKKOL-UHFFFAOYSA-N -1 3 221.256 1.580 20 10 BDCDHM CSC[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000163278348 384785611 /nfs/dbraw/zinc/78/56/11/384785611.db2.gz HFKSICAAIZNJOJ-SSDOTTSWSA-N -1 3 241.312 1.579 20 10 BDCDHM COC[C@@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000126366215 384796119 /nfs/dbraw/zinc/79/61/19/384796119.db2.gz RTPRUBKXIYCSBI-QMMMGPOBSA-N -1 3 239.271 1.110 20 10 BDCDHM CCC1(C)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000291046409 385174407 /nfs/dbraw/zinc/17/44/07/385174407.db2.gz IZEVLQBAFKHGDB-UHFFFAOYSA-N -1 3 235.283 1.970 20 10 BDCDHM CC[C@H](CNC(=O)c1cccc(O)c1[O-])OC ZINC000291881870 385758039 /nfs/dbraw/zinc/75/80/39/385758039.db2.gz HGHGAMLCISFWKU-MRVPVSSYSA-N -1 3 239.271 1.253 20 10 BDCDHM C[C@H](N[C@@H](C)c1ccccc1[O-])c1ncnn1C ZINC000276698311 386366118 /nfs/dbraw/zinc/36/61/18/386366118.db2.gz VKGVPXKGQMDEAH-UWVGGRQHSA-N -1 3 246.314 1.933 20 10 BDCDHM CCOC1CN(Cc2cc(F)ccc2[O-])C1 ZINC000297497588 170337221 /nfs/dbraw/zinc/33/72/21/170337221.db2.gz UPXIUSXHMJROPW-UHFFFAOYSA-N -1 3 225.263 1.752 20 10 BDCDHM CCOCCN(C)Cc1cccc(F)c1[O-] ZINC000165418981 170390327 /nfs/dbraw/zinc/39/03/27/170390327.db2.gz RYLWSJDGTMWOBW-UHFFFAOYSA-N -1 3 227.279 2.000 20 10 BDCDHM CC[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126191059 171337099 /nfs/dbraw/zinc/33/70/99/171337099.db2.gz INJAXIIOTUAGLB-ZETCQYMHSA-N -1 3 209.245 1.626 20 10 BDCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H]1C ZINC000193127098 176163349 /nfs/dbraw/zinc/16/33/49/176163349.db2.gz XUBKEMNLZXOFHM-RKDXNWHRSA-N -1 3 235.283 1.968 20 10 BDCDHM O=C(O[C@@H]1CCOC1)c1cc([O-])cs1 ZINC000837512727 587879015 /nfs/dbraw/zinc/87/90/15/587879015.db2.gz CQIGFOCMFVPVSW-SSDOTTSWSA-N -1 3 214.242 1.399 20 10 BDCDHM CCN(CCO)Cc1cc(F)cc(F)c1[O-] ZINC000893871177 583236397 /nfs/dbraw/zinc/23/63/97/583236397.db2.gz HKMLNTLAJOOMTM-UHFFFAOYSA-N -1 3 231.242 1.485 20 10 BDCDHM O=C(OCCOC(F)F)c1cc([O-])cs1 ZINC000853897536 588767620 /nfs/dbraw/zinc/76/76/20/588767620.db2.gz KLCQGEHMIGLQJO-UHFFFAOYSA-N -1 3 238.211 1.850 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCOCC12CC2 ZINC000854384291 588785559 /nfs/dbraw/zinc/78/55/59/588785559.db2.gz SEEROMCKHPOWGP-UHFFFAOYSA-N -1 3 239.296 1.459 20 10 BDCDHM O=C(N[C@@H]1C=CCC1)c1cccc(O)c1[O-] ZINC000829344346 582856267 /nfs/dbraw/zinc/85/62/67/582856267.db2.gz XVBLLUOBLRKEFH-MRVPVSSYSA-N -1 3 219.240 1.546 20 10 BDCDHM C[C@@H]1C[C@@H](O)CN1Cc1cc(F)cc(F)c1[O-] ZINC000894539841 583480668 /nfs/dbraw/zinc/48/06/68/583480668.db2.gz XKDLVCKCFOPKHH-GMSGAONNSA-N -1 3 243.253 1.626 20 10 BDCDHM [O-]c1cccc(Cl)c1CN1C[C@@H]2C[C@]2(O)C1 ZINC000895647352 583699595 /nfs/dbraw/zinc/69/95/95/583699595.db2.gz KMJFXLOJHSACFK-UFBFGSQYSA-N -1 3 239.702 1.612 20 10 BDCDHM Cc1ccc(C(=O)N2CC(F)C2)c([O-])c1O ZINC000753073606 583967384 /nfs/dbraw/zinc/96/73/84/583967384.db2.gz DSVIVGDQZOJFST-UHFFFAOYSA-N -1 3 225.219 1.200 20 10 BDCDHM O=C(NCCc1ccccn1)c1cc([O-])cs1 ZINC000731865849 584930210 /nfs/dbraw/zinc/93/02/10/584930210.db2.gz UDPZHNHRAZJSPX-UHFFFAOYSA-N -1 3 248.307 1.821 20 10 BDCDHM Cc1nnc(NC(=O)c2cc([O-])cs2)s1 ZINC000731867605 584930509 /nfs/dbraw/zinc/93/05/09/584930509.db2.gz NROPLMBJQINCSI-UHFFFAOYSA-N -1 3 241.297 1.866 20 10 BDCDHM CCC(=O)COC(=O)c1cc([O-])cs1 ZINC000732354126 584936092 /nfs/dbraw/zinc/93/60/92/584936092.db2.gz DUEKWUJOGSWOPE-UHFFFAOYSA-N -1 3 214.242 1.590 20 10 BDCDHM Cn1cc(COC(=O)c2cc([O-])cs2)cn1 ZINC000732354518 584936191 /nfs/dbraw/zinc/93/61/91/584936191.db2.gz ORIPRHMRHLKLSJ-UHFFFAOYSA-N -1 3 238.268 1.544 20 10 BDCDHM COCCCCN(C)C(=O)c1cc([O-])cs1 ZINC000842276923 585029479 /nfs/dbraw/zinc/02/94/79/585029479.db2.gz ADRKMLWKNPSHKU-UHFFFAOYSA-N -1 3 243.328 1.952 20 10 BDCDHM Cc1nn(C)cc1NC(=O)c1cc([O-])cs1 ZINC000741302000 585112551 /nfs/dbraw/zinc/11/25/51/585112551.db2.gz YYNWMULNQSPEIT-UHFFFAOYSA-N -1 3 237.284 1.748 20 10 BDCDHM [O-]c1ccccc1CN(CCO)Cc1ccco1 ZINC000748818749 585196791 /nfs/dbraw/zinc/19/67/91/585196791.db2.gz YCEZIFXWBSBGPT-UHFFFAOYSA-N -1 3 247.294 1.980 20 10 BDCDHM COC(C)(C)CN(C)C(=O)c1cc([O-])cs1 ZINC000759099013 585364152 /nfs/dbraw/zinc/36/41/52/585364152.db2.gz OLYMBQBGZKCLCI-UHFFFAOYSA-N -1 3 243.328 1.951 20 10 BDCDHM C[C@H](CCCO)NC(=O)c1cc([O-])cs1 ZINC000760173973 585386345 /nfs/dbraw/zinc/38/63/45/585386345.db2.gz QRBXGTWMSXBZFH-SSDOTTSWSA-N -1 3 229.301 1.345 20 10 BDCDHM CN(CC1(O)CCC1)C(=O)c1cc([O-])cs1 ZINC000760448003 585392765 /nfs/dbraw/zinc/39/27/65/585392765.db2.gz BXMXARYKSLKHGF-UHFFFAOYSA-N -1 3 241.312 1.441 20 10 BDCDHM Cc1nonc1CN[C@@H](C)c1ccccc1[O-] ZINC000775129618 585672580 /nfs/dbraw/zinc/67/25/80/585672580.db2.gz GZPQNUDSLYZVLJ-QMMMGPOBSA-N -1 3 233.271 1.934 20 10 BDCDHM C[C@@H](O)CN(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000776521803 585699907 /nfs/dbraw/zinc/69/99/07/585699907.db2.gz UNNVBAISOWFRPL-SSDOTTSWSA-N -1 3 247.697 1.997 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCO[C@H](CF)C1 ZINC000839803979 585709669 /nfs/dbraw/zinc/70/96/69/585709669.db2.gz LLIFCYNBVJIIHP-MRVPVSSYSA-N -1 3 245.275 1.264 20 10 BDCDHM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc([O-])cs1 ZINC000787929779 585917492 /nfs/dbraw/zinc/91/74/92/585917492.db2.gz RNKJUVNPJGBVAI-DIYOJNKTSA-N -1 3 223.297 1.982 20 10 BDCDHM CCOc1cc(O)ccc1[N-]S(C)(=O)=O ZINC000790410021 585964398 /nfs/dbraw/zinc/96/43/98/585964398.db2.gz YKCQEZXNEUFBSH-UHFFFAOYSA-N -1 3 231.273 1.162 20 10 BDCDHM C[C@H]1CC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000807755595 586448882 /nfs/dbraw/zinc/44/88/82/586448882.db2.gz RGFOUKDNPOZIKO-POYBYMJQSA-N -1 3 211.286 1.982 20 10 BDCDHM CO[C@H](C)CN(C)C(=O)c1cc([O-])cs1 ZINC000807755506 586448929 /nfs/dbraw/zinc/44/89/29/586448929.db2.gz ORKMUGDMADNPDC-SSDOTTSWSA-N -1 3 229.301 1.561 20 10 BDCDHM C[C@@H]1CC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000807755596 586449006 /nfs/dbraw/zinc/44/90/06/586449006.db2.gz RGFOUKDNPOZIKO-SVRRBLITSA-N -1 3 211.286 1.982 20 10 BDCDHM O=C(OCCC1(O)CCC1)c1cc([O-])cs1 ZINC000840229078 586557530 /nfs/dbraw/zinc/55/75/30/586557530.db2.gz VYJHDXZIMUSUND-UHFFFAOYSA-N -1 3 242.296 1.916 20 10 BDCDHM CCN(C(=O)c1cc([O-])cs1)[C@@H]1CCOC1 ZINC000812725554 586583292 /nfs/dbraw/zinc/58/32/92/586583292.db2.gz FVNGOLCJRYCKRA-MRVPVSSYSA-N -1 3 241.312 1.705 20 10 BDCDHM CN(Cc1ncc[nH]1)Cc1cc(F)ccc1[O-] ZINC000813328450 586600555 /nfs/dbraw/zinc/60/05/55/586600555.db2.gz RCHJUCRIAXFWCV-UHFFFAOYSA-N -1 3 235.262 1.886 20 10 BDCDHM CN(Cc1ccccc1[O-])[C@@H]1CC(C)(C)OC1=O ZINC000814178827 586616170 /nfs/dbraw/zinc/61/61/70/586616170.db2.gz DZFHZEWMFRWAEJ-LLVKDONJSA-N -1 3 249.310 1.918 20 10 BDCDHM C[C@@H](C(=O)[O-])[N@H+](C)Cc1cc2c(cc1[O-])CCC2 ZINC000817779291 586827208 /nfs/dbraw/zinc/82/72/08/586827208.db2.gz IWKIGKDKNIYBBK-VIFPVBQESA-N -1 3 249.310 1.786 20 10 BDCDHM C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc2c(cc1[O-])CCC2 ZINC000817779291 586827210 /nfs/dbraw/zinc/82/72/10/586827210.db2.gz IWKIGKDKNIYBBK-VIFPVBQESA-N -1 3 249.310 1.786 20 10 BDCDHM Cc1cc([O-])c(C[N@@H+](C)CCC(=O)[O-])cc1C ZINC000821046125 587090788 /nfs/dbraw/zinc/09/07/88/587090788.db2.gz RYRCUBPKHDISLP-UHFFFAOYSA-N -1 3 237.299 1.916 20 10 BDCDHM Cc1cc([O-])c(C[N@H+](C)CCC(=O)[O-])cc1C ZINC000821046125 587090786 /nfs/dbraw/zinc/09/07/86/587090786.db2.gz RYRCUBPKHDISLP-UHFFFAOYSA-N -1 3 237.299 1.916 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCCn2nccc21 ZINC000825298267 587313181 /nfs/dbraw/zinc/31/31/81/587313181.db2.gz YDTUUVUSQGLWTH-UHFFFAOYSA-N -1 3 249.295 1.701 20 10 BDCDHM Cc1ccc([O-])c(C[NH2+]CCNC(=O)[O-])c1 ZINC000830399552 587549241 /nfs/dbraw/zinc/54/92/41/587549241.db2.gz BGGNGYINKRSYRU-UHFFFAOYSA-N -1 3 224.260 1.058 20 10 BDCDHM C[C@@]1(NC(=O)c2cc([O-])cs2)CCCOC1 ZINC000831646011 587625983 /nfs/dbraw/zinc/62/59/83/587625983.db2.gz RPVVFOSFWAAOOK-LLVKDONJSA-N -1 3 241.312 1.753 20 10 BDCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)[C@@H]1C ZINC000832888671 587694379 /nfs/dbraw/zinc/69/43/79/587694379.db2.gz KYJIQLGSODZEOQ-RNFRBKRXSA-N -1 3 211.286 1.934 20 10 BDCDHM CCOC1(C)CN(C(=O)c2cc([O-])cs2)C1 ZINC000833331052 587706356 /nfs/dbraw/zinc/70/63/56/587706356.db2.gz OYATVTMWSJMMMA-UHFFFAOYSA-N -1 3 241.312 1.705 20 10 BDCDHM O=C(NC(CF)CF)c1cccc(O)c1[O-] ZINC000833425982 587714388 /nfs/dbraw/zinc/71/43/88/587714388.db2.gz JQDJYLUGFDNTJM-UHFFFAOYSA-N -1 3 231.198 1.135 20 10 BDCDHM NCC(F)(F)CNCc1cc(F)ccc1[O-] ZINC000841059412 587940607 /nfs/dbraw/zinc/94/06/07/587940607.db2.gz CEJPALPAYWWWDL-UHFFFAOYSA-N -1 3 234.221 1.215 20 10 BDCDHM C[C@H](CCO)N(C)C(=O)c1cc([O-])cs1 ZINC000846664103 588281367 /nfs/dbraw/zinc/28/13/67/588281367.db2.gz CRWDSWMAJHAKSS-SSDOTTSWSA-N -1 3 229.301 1.297 20 10 BDCDHM CCC[C@H](CCO)NC(=O)c1cc([O-])cs1 ZINC000869869410 589633671 /nfs/dbraw/zinc/63/36/71/589633671.db2.gz ZWSOZWVICMONQV-MRVPVSSYSA-N -1 3 243.328 1.735 20 10 BDCDHM C[S@](=O)CCNCc1c([O-])cccc1Cl ZINC000124176648 589957970 /nfs/dbraw/zinc/95/79/70/589957970.db2.gz JIANMAWXBVUSJN-OAHLLOKOSA-N -1 3 247.747 1.514 20 10 BDCDHM C[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])C1CC1 ZINC000873641359 590065911 /nfs/dbraw/zinc/06/59/11/590065911.db2.gz TUFQQKAXTNZABQ-LBPRGKRZSA-N -1 3 235.283 1.687 20 10 BDCDHM C[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])C1CC1 ZINC000873641359 590065912 /nfs/dbraw/zinc/06/59/12/590065912.db2.gz TUFQQKAXTNZABQ-LBPRGKRZSA-N -1 3 235.283 1.687 20 10 BDCDHM C[C@]1(O)CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876792800 590242042 /nfs/dbraw/zinc/24/20/42/590242042.db2.gz ZMNGHOIHRPKWES-LBPRGKRZSA-N -1 3 243.253 1.627 20 10 BDCDHM Cc1ccc(CNCc2nncn2C)c([O-])c1 ZINC000876929104 590258256 /nfs/dbraw/zinc/25/82/56/590258256.db2.gz GSIYYOSJVBNHHF-UHFFFAOYSA-N -1 3 232.287 1.119 20 10 BDCDHM COC(=O)[C@@H](C)N(C)Cc1ccc(C)cc1[O-] ZINC000877491654 590340346 /nfs/dbraw/zinc/34/03/46/590340346.db2.gz UTJFNTORXZADPJ-SNVBAGLBSA-N -1 3 237.299 1.694 20 10 BDCDHM O=C(NOC1CCCC1)c1cccc(O)c1[O-] ZINC000126611524 590373382 /nfs/dbraw/zinc/37/33/82/590373382.db2.gz WFJDKRSYFJPIHT-UHFFFAOYSA-N -1 3 237.255 1.702 20 10 BDCDHM CC1(NCc2cc(Cl)ccc2[O-])COC1 ZINC000877691245 590393101 /nfs/dbraw/zinc/39/31/01/590393101.db2.gz LUHVAVUMGLRMJC-UHFFFAOYSA-N -1 3 227.691 1.924 20 10 BDCDHM Cc1nn(C)cc1CN1Cc2cccc([O-])c2C1 ZINC000877703236 590396595 /nfs/dbraw/zinc/39/65/95/590396595.db2.gz XQCMEINNERBGPI-UHFFFAOYSA-N -1 3 243.310 1.950 20 10 BDCDHM O=C([O-])[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000236433633 605473939 /nfs/dbraw/zinc/47/39/39/605473939.db2.gz NVPRHXRPIHPKDL-JTQLQIEISA-N -1 3 239.246 1.580 20 10 BDCDHM O=C([O-])[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000236433633 605473944 /nfs/dbraw/zinc/47/39/44/605473944.db2.gz NVPRHXRPIHPKDL-JTQLQIEISA-N -1 3 239.246 1.580 20 10 BDCDHM COC(=O)CN(C)Cc1cc(Cl)ccc1[O-] ZINC000171938134 641023960 /nfs/dbraw/zinc/02/39/60/641023960.db2.gz KVNYTPXKHDWSCF-UHFFFAOYSA-N -1 3 243.690 1.650 20 10 BDCDHM CCN1CN(Cc2cc(F)ccc2[O-])CC1=O ZINC000191837286 641947067 /nfs/dbraw/zinc/94/70/67/641947067.db2.gz MVVJBNWMKOAEKS-UHFFFAOYSA-N -1 3 238.262 1.153 20 10 BDCDHM COc1cc(C)c(C[NH2+][C@@H](C)C(=O)[O-])c([O-])c1 ZINC001594054122 977488158 /nfs/dbraw/zinc/48/81/58/977488158.db2.gz HWIPXWFCCQIIRK-QMMMGPOBSA-N -1 3 239.271 1.272 20 10 BDCDHM COCC1CN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233331677 978561093 /nfs/dbraw/zinc/56/10/93/978561093.db2.gz GDBMHDSPIIDINF-UHFFFAOYSA-N -1 3 243.253 1.749 20 10 BDCDHM C[C@@]1(O)CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233332326 978565743 /nfs/dbraw/zinc/56/57/43/978565743.db2.gz HGFOGIMJBCPKLG-GFCCVEGCSA-N -1 3 243.253 1.627 20 10 BDCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@H]1CO ZINC001233332553 978566074 /nfs/dbraw/zinc/56/60/74/978566074.db2.gz PBVLIIGYNWYPQT-QMMMGPOBSA-N -1 3 243.253 1.627 20 10 BDCDHM CC[N@H+](CC(=O)[O-])Cc1cc(F)ccc1[O-] ZINC000233424638 960319440 /nfs/dbraw/zinc/31/94/40/960319440.db2.gz YOVWQVKUMIUKKE-UHFFFAOYSA-N -1 3 227.235 1.438 20 10 BDCDHM CC[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1[O-] ZINC000233424638 960319451 /nfs/dbraw/zinc/31/94/51/960319451.db2.gz YOVWQVKUMIUKKE-UHFFFAOYSA-N -1 3 227.235 1.438 20 10 BDCDHM CCN(Cc1cc(F)c(F)cc1[O-])C1COC1 ZINC001142524681 961481959 /nfs/dbraw/zinc/48/19/59/961481959.db2.gz GLLXTMBTQIFORO-UHFFFAOYSA-N -1 3 243.253 1.891 20 10 BDCDHM Nc1ccc(Nc2[nH]c(=O)[n-]c(=O)c2N=O)cc1 ZINC001159262305 964041057 /nfs/dbraw/zinc/04/10/57/964041057.db2.gz TYFVQEHWEBGKCF-UHFFFAOYSA-N -1 3 247.214 1.612 20 10 BDCDHM COC[C@@H]1CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142534590 964374467 /nfs/dbraw/zinc/37/44/67/964374467.db2.gz OXXSUFGOUXPMLT-VIFPVBQESA-N -1 3 243.253 1.891 20 10 BDCDHM COC[C@H]1CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142534589 964374658 /nfs/dbraw/zinc/37/46/58/964374658.db2.gz OXXSUFGOUXPMLT-SECBINFHSA-N -1 3 243.253 1.891 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CCCC12COC2 ZINC001148213831 973814131 /nfs/dbraw/zinc/81/41/31/973814131.db2.gz KLBCHTVDXCMNRS-UHFFFAOYSA-N -1 3 249.266 1.103 20 10 BDCDHM O=C([O-])c1ccc(CN2CC[C@H](F)C2)c(O)c1 ZINC001231445862 977590379 /nfs/dbraw/zinc/59/03/79/977590379.db2.gz BYADKRXRIJTYCF-JTQLQIEISA-N -1 3 239.246 1.634 20 10 BDCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CC3CC(C3)C2)c1 ZINC001231565805 977633540 /nfs/dbraw/zinc/63/35/40/977633540.db2.gz CLKMMYSWSVSPCW-UHFFFAOYSA-N -1 3 247.294 1.932 20 10 BDCDHM CN(C)C1CN(Cc2cccc(Cl)c2[O-])C1 ZINC001231910137 977793058 /nfs/dbraw/zinc/79/30/58/977793058.db2.gz VXNNNFJKDUWZFF-UHFFFAOYSA-N -1 3 240.734 1.791 20 10 BDCDHM C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])C(=O)[O-] ZINC001603193486 979400392 /nfs/dbraw/zinc/40/03/92/979400392.db2.gz WLPQCKSZVQSPEQ-IUCAKERBSA-N -1 3 223.272 1.764 20 10 BDCDHM CC[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)[O-] ZINC001603915937 979543822 /nfs/dbraw/zinc/54/38/22/979543822.db2.gz WQFNGKSKCPRUOR-NXEZZACHSA-N -1 3 235.283 1.832 20 10 BDCDHM O=C1CN(Cc2cc3ccccc3cc2[O-])C1 ZINC001236841448 979750718 /nfs/dbraw/zinc/75/07/18/979750718.db2.gz KRYJWWZBUYNWBZ-UHFFFAOYSA-N -1 3 227.263 1.930 20 10 BDCDHM Nc1ncccc1CNCc1c([O-])cccc1F ZINC001183918686 979909840 /nfs/dbraw/zinc/90/98/40/979909840.db2.gz BOQBPLFGROIHSA-UHFFFAOYSA-N -1 3 247.273 1.798 20 10 BDCDHM O=C([O-])C1(C[NH2+]Cc2ccccc2[O-])CC1 ZINC001350600281 982016318 /nfs/dbraw/zinc/01/63/18/982016318.db2.gz PFFBLQSPKOUEIK-UHFFFAOYSA-N -1 3 221.256 1.347 20 10 BDCDHM [O-]c1cc(F)c(F)cc1CNCc1cn[nH]n1 ZINC001462452998 986397882 /nfs/dbraw/zinc/39/78/82/986397882.db2.gz KMQOZZRVFBFDBP-UHFFFAOYSA-N -1 3 240.213 1.078 20 10 BDCDHM [O-]c1c(F)cccc1CN1CC2(COC2)C1 ZINC001138122381 990883895 /nfs/dbraw/zinc/88/38/95/990883895.db2.gz ALOTYWDQJZEBMI-UHFFFAOYSA-N -1 3 223.247 1.364 20 10 BDCDHM Cn1cnc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001558455490 990945629 /nfs/dbraw/zinc/94/56/29/990945629.db2.gz VFTFTURCTSPUTO-UHFFFAOYSA-N -1 3 249.245 1.195 20 10 BDCDHM N#CN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC001140056103 991512114 /nfs/dbraw/zinc/51/21/14/991512114.db2.gz ICKQVDKVSWKXAI-UHFFFAOYSA-N -1 3 235.262 1.130 20 10 BDCDHM CN(Cc1c([O-])cccc1Cl)C1COC1 ZINC001140341205 991609692 /nfs/dbraw/zinc/60/96/92/991609692.db2.gz CVTVDXVXIVZRMX-UHFFFAOYSA-N -1 3 227.691 1.876 20 10 BDCDHM Cc1ccc(C(=O)N(C)CC2CC2)c([O-])c1O ZINC000177673545 178375977 /nfs/dbraw/zinc/37/59/77/178375977.db2.gz OGNLZPFNHVBMKO-UHFFFAOYSA-N -1 3 235.283 1.888 20 10 BDCDHM [O-]c1ccc(Cl)cc1CN1CC[C@H](O)C1 ZINC000128158791 343787215 /nfs/dbraw/zinc/78/72/15/343787215.db2.gz WVHGSLIFJYTGIM-JTQLQIEISA-N -1 3 227.691 1.612 20 10 BDCDHM [O-]c1cccc2c1[C@@H](NCC(F)(F)CO)CC2 ZINC000296387347 183034731 /nfs/dbraw/zinc/03/47/31/183034731.db2.gz JOOPAZHXBPZLBI-VIFPVBQESA-N -1 3 243.253 1.597 20 10 BDCDHM CCCN(CC)C(=O)c1cccc(O)c1[O-] ZINC000163269868 169118498 /nfs/dbraw/zinc/11/84/98/169118498.db2.gz CPPCHPBGGUYTBB-UHFFFAOYSA-N -1 3 223.272 1.970 20 10 BDCDHM CCCNC(=O)CN(C)Cc1ccccc1[O-] ZINC000109770301 169219421 /nfs/dbraw/zinc/21/94/21/169219421.db2.gz YFZKMHITSQPTLI-UHFFFAOYSA-N -1 3 236.315 1.350 20 10 BDCDHM CN(Cc1csnn1)Cc1ccccc1[O-] ZINC000120066068 384326042 /nfs/dbraw/zinc/32/60/42/384326042.db2.gz HUXGALATYXRYOK-UHFFFAOYSA-N -1 3 235.312 1.876 20 10 BDCDHM CC[C@@H](C(=O)OC)N(C)Cc1ccccc1[O-] ZINC000173359171 384678208 /nfs/dbraw/zinc/67/82/08/384678208.db2.gz VXFLIOGTTNYIAI-NSHDSACASA-N -1 3 237.299 1.776 20 10 BDCDHM O=C(NC[C@@H]1CCCO1)c1cccc(O)c1[O-] ZINC000126232775 384779155 /nfs/dbraw/zinc/77/91/55/384779155.db2.gz YVWDDPBRRYQZGI-QMMMGPOBSA-N -1 3 237.255 1.007 20 10 BDCDHM Cc1ccc([C@H](C)NCc2ncn(C)n2)c([O-])c1 ZINC000186214555 384829649 /nfs/dbraw/zinc/82/96/49/384829649.db2.gz QFLBBUNOBHICRC-JTQLQIEISA-N -1 3 246.314 1.680 20 10 BDCDHM CC(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000163272459 384782120 /nfs/dbraw/zinc/78/21/20/384782120.db2.gz AKWNIRDYUOUGIX-UHFFFAOYSA-N -1 3 223.272 1.874 20 10 BDCDHM CCN(CC(F)F)C(=O)c1cccc(O)c1[O-] ZINC000193162211 385386980 /nfs/dbraw/zinc/38/69/80/385386980.db2.gz ZLDHBACCWMBWNR-UHFFFAOYSA-N -1 3 245.225 1.825 20 10 BDCDHM Cc1ccc(C(=O)N[C@H](C)C2CC2)c([O-])c1O ZINC000179414017 385465177 /nfs/dbraw/zinc/46/51/77/385465177.db2.gz AFFQTZYRMKZWBM-MRVPVSSYSA-N -1 3 235.283 1.935 20 10 BDCDHM COC(=O)[C@@H](CF)NCc1cc(F)ccc1[O-] ZINC000290204294 386405987 /nfs/dbraw/zinc/40/59/87/386405987.db2.gz PXJXJIRRVAOUTN-SECBINFHSA-N -1 3 245.225 1.132 20 10 BDCDHM Cc1ccc(C(=O)NC[C@H]2C[C@@H]2C)c([O-])c1O ZINC000267626517 386563209 /nfs/dbraw/zinc/56/32/09/386563209.db2.gz VYHWYFUDURGBAU-DTWKUNHWSA-N -1 3 235.283 1.792 20 10 BDCDHM CN(Cc1nccn1C)Cc1cc(F)ccc1[O-] ZINC000230935697 387271379 /nfs/dbraw/zinc/27/13/79/387271379.db2.gz XQLOPQVQTLUASP-UHFFFAOYSA-N -1 3 249.289 1.897 20 10 BDCDHM CN(CCCO)Cc1c([O-])cccc1Cl ZINC000281671973 398061752 /nfs/dbraw/zinc/06/17/52/398061752.db2.gz DJZWHZAMWIDPJO-UHFFFAOYSA-N -1 3 229.707 1.860 20 10 BDCDHM C[C@@H](c1nnnn1C)N(C)Cc1ccccc1[O-] ZINC000189663412 176041044 /nfs/dbraw/zinc/04/10/44/176041044.db2.gz NDQDJBBAFXEJKK-VIFPVBQESA-N -1 3 247.302 1.109 20 10 BDCDHM CC1(CNC(=O)c2cc([O-])cs2)CC1 ZINC000752820258 585250586 /nfs/dbraw/zinc/25/05/86/585250586.db2.gz IWHNGFFQCTXXAJ-UHFFFAOYSA-N -1 3 211.286 1.984 20 10 BDCDHM CC1(C)COCN1C(=O)c1cc([O-])cs1 ZINC000854327004 588783960 /nfs/dbraw/zinc/78/39/60/588783960.db2.gz HHXCYKFYFIZWBO-UHFFFAOYSA-N -1 3 227.285 1.662 20 10 BDCDHM C[C@H](CC(C)(C)O)NC(=O)c1cc([O-])cs1 ZINC000854762016 588805994 /nfs/dbraw/zinc/80/59/94/588805994.db2.gz SNWPTOBHQSNJTD-SSDOTTSWSA-N -1 3 243.328 1.733 20 10 BDCDHM CC1(C)C[C@H](NC(=O)c2cc([O-])cs2)CO1 ZINC000855171888 588825011 /nfs/dbraw/zinc/82/50/11/588825011.db2.gz FYQQXRUELVXXBA-ZETCQYMHSA-N -1 3 241.312 1.751 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCC2(COC2)C1 ZINC000856192949 588864112 /nfs/dbraw/zinc/86/41/12/588864112.db2.gz PTWBKGRXYKCEOI-UHFFFAOYSA-N -1 3 239.296 1.316 20 10 BDCDHM C[C@@H](N[C@@H]1CCOC1=O)c1ccccc1[O-] ZINC000019876314 583633373 /nfs/dbraw/zinc/63/33/73/583633373.db2.gz UVVJSESFQIDRSH-PSASIEDQSA-N -1 3 221.256 1.358 20 10 BDCDHM C[C@@H]1[C@H](O)CCCN1C(=O)c1cc([O-])cs1 ZINC000899747048 584236105 /nfs/dbraw/zinc/23/61/05/584236105.db2.gz SVYDEFLMUUZERO-VXNVDRBHSA-N -1 3 241.312 1.439 20 10 BDCDHM CC(F)(F)C(=O)NCc1c([O-])cccc1F ZINC000902944549 584696197 /nfs/dbraw/zinc/69/61/97/584696197.db2.gz IUKICVRPDCLSSE-UHFFFAOYSA-N -1 3 233.189 1.803 20 10 BDCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CNOC1 ZINC000904424640 584881176 /nfs/dbraw/zinc/88/11/76/584881176.db2.gz WYHFUGZPRMWMRQ-ZCFIWIBFSA-N -1 3 246.669 1.178 20 10 BDCDHM Cc1cc(NC(=O)c2cc([O-])cs2)n(C)n1 ZINC000731868788 584930809 /nfs/dbraw/zinc/93/08/09/584930809.db2.gz VMPGZVUBQSRNTN-UHFFFAOYSA-N -1 3 237.284 1.748 20 10 BDCDHM O=C(NCc1cc[nH]n1)c1cc([O-])cs1 ZINC000732270426 584935392 /nfs/dbraw/zinc/93/53/92/584935392.db2.gz CFNFHELRLUKQEK-UHFFFAOYSA-N -1 3 223.257 1.107 20 10 BDCDHM CN1CCC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732276066 584935412 /nfs/dbraw/zinc/93/54/12/584935412.db2.gz FPIJCTPIYQOOOW-QMMMGPOBSA-N -1 3 240.328 1.278 20 10 BDCDHM Cn1ccnc1CNC(=O)c1cc([O-])cs1 ZINC000732286055 584935916 /nfs/dbraw/zinc/93/59/16/584935916.db2.gz OACSEPJTVCYNRL-UHFFFAOYSA-N -1 3 237.284 1.117 20 10 BDCDHM COc1cccc([O-])c1CNCC(F)F ZINC000839092100 585090609 /nfs/dbraw/zinc/09/06/09/585090609.db2.gz RJZYLQVVSLSKDW-UHFFFAOYSA-N -1 3 217.215 1.756 20 10 BDCDHM COC(OC)[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000839763769 585339026 /nfs/dbraw/zinc/33/90/26/585339026.db2.gz GTLXEJHIXPZZMV-ZCFIWIBFSA-N -1 3 245.300 1.191 20 10 BDCDHM CC[C@H](O)CCCNC(=O)c1cc([O-])cs1 ZINC000761570760 585417533 /nfs/dbraw/zinc/41/75/33/585417533.db2.gz BDPRNRXLSFPWBV-QMMMGPOBSA-N -1 3 243.328 1.735 20 10 BDCDHM C[C@@H]1C[C@H](NC(=O)c2cc([O-])cs2)CCO1 ZINC000770412778 585573868 /nfs/dbraw/zinc/57/38/68/585573868.db2.gz WIDSQZNTGGLKHJ-HTQZYQBOSA-N -1 3 241.312 1.751 20 10 BDCDHM Cc1ccc(C(=O)N(C)CC(F)F)c([O-])c1O ZINC000770483559 585574766 /nfs/dbraw/zinc/57/47/66/585574766.db2.gz QYQYSMBWBLQECX-UHFFFAOYSA-N -1 3 245.225 1.743 20 10 BDCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)CC[C@@H]1O ZINC000779462839 585755498 /nfs/dbraw/zinc/75/54/98/585755498.db2.gz VYIVQOKOTYPAQJ-CBAPKCEASA-N -1 3 241.312 1.297 20 10 BDCDHM O=C(NCC1(CCO)CC1)c1cc([O-])cs1 ZINC000779666192 585758635 /nfs/dbraw/zinc/75/86/35/585758635.db2.gz OTHJHPMFOCJGMW-UHFFFAOYSA-N -1 3 241.312 1.346 20 10 BDCDHM Cc1ccc(C(=O)N2CC=CCC2)c([O-])c1O ZINC000781021803 585788819 /nfs/dbraw/zinc/78/88/19/585788819.db2.gz SBEGRIKCKDURSX-UHFFFAOYSA-N -1 3 233.267 1.808 20 10 BDCDHM O=C(Nc1cnns1)c1cc([O-])cs1 ZINC000789910749 585952745 /nfs/dbraw/zinc/95/27/45/585952745.db2.gz KVKFRCZGSFHSQI-UHFFFAOYSA-N -1 3 227.270 1.558 20 10 BDCDHM Cc1ccc(C(=O)N2CC(C)(C)C2)c([O-])c1O ZINC000790233645 585961669 /nfs/dbraw/zinc/96/16/69/585961669.db2.gz ANNBKNFNEULRDQ-UHFFFAOYSA-N -1 3 235.283 1.888 20 10 BDCDHM CCc1cc(NC(=O)c2cccc(O)c2[O-])no1 ZINC000790768606 585968050 /nfs/dbraw/zinc/96/80/50/585968050.db2.gz UBOWPJXBOJAKPE-UHFFFAOYSA-N -1 3 248.238 1.901 20 10 BDCDHM O=C(NOC1CCC1)c1cccc(O)c1[O-] ZINC000812793767 586585881 /nfs/dbraw/zinc/58/58/81/586585881.db2.gz DFABQPNJAXDUTC-UHFFFAOYSA-N -1 3 223.228 1.312 20 10 BDCDHM C[C@H](C(=O)[O-])[N@H+](C)Cc1cc2c(cc1[O-])CCC2 ZINC000817779290 586827669 /nfs/dbraw/zinc/82/76/69/586827669.db2.gz IWKIGKDKNIYBBK-SECBINFHSA-N -1 3 249.310 1.786 20 10 BDCDHM C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc2c(cc1[O-])CCC2 ZINC000817779290 586827671 /nfs/dbraw/zinc/82/76/71/586827671.db2.gz IWKIGKDKNIYBBK-SECBINFHSA-N -1 3 249.310 1.786 20 10 BDCDHM C[C@@H](NCC(F)(F)CN)c1ccccc1[O-] ZINC000817966520 586855210 /nfs/dbraw/zinc/85/52/10/586855210.db2.gz PNRQVOGZQXZJIO-MRVPVSSYSA-N -1 3 230.258 1.637 20 10 BDCDHM Cc1ccc(C(=O)NCC[C@H](C)F)c([O-])c1O ZINC000818296089 586884680 /nfs/dbraw/zinc/88/46/80/586884680.db2.gz AKAMIRUTJWNMFT-QMMMGPOBSA-N -1 3 241.262 1.884 20 10 BDCDHM Cc1cc([O-])c(C[NH2+][C@H](C)C(=O)[O-])cc1C ZINC000818849290 586914391 /nfs/dbraw/zinc/91/43/91/586914391.db2.gz OJINRUWLWKMLGB-SECBINFHSA-N -1 3 223.272 1.572 20 10 BDCDHM Cc1cccc(C[N@H+](C)CCC(=O)[O-])c1[O-] ZINC000821112257 587096763 /nfs/dbraw/zinc/09/67/63/587096763.db2.gz MTCRFFSDPNUHFR-UHFFFAOYSA-N -1 3 223.272 1.607 20 10 BDCDHM Cc1cccc(C[N@@H+](C)CCC(=O)[O-])c1[O-] ZINC000821112257 587096764 /nfs/dbraw/zinc/09/67/64/587096764.db2.gz MTCRFFSDPNUHFR-UHFFFAOYSA-N -1 3 223.272 1.607 20 10 BDCDHM Cc1cc([O-])c(CN2CC[C@H](O)C2)cc1Cl ZINC000824567401 587276729 /nfs/dbraw/zinc/27/67/29/587276729.db2.gz SJZRSAKIEJIOKM-JTQLQIEISA-N -1 3 241.718 1.921 20 10 BDCDHM CC[C@H](C(=O)[O-])[N@H+](C)Cc1cccc(C)c1[O-] ZINC000844938701 588219469 /nfs/dbraw/zinc/21/94/69/588219469.db2.gz WJPDPWCOOQEMGJ-LLVKDONJSA-N -1 3 237.299 1.996 20 10 BDCDHM CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000844938701 588219470 /nfs/dbraw/zinc/21/94/70/588219470.db2.gz WJPDPWCOOQEMGJ-LLVKDONJSA-N -1 3 237.299 1.996 20 10 BDCDHM CO[C@H](C)C(=O)NCc1cc(Cl)ccc1[O-] ZINC000846471848 588267030 /nfs/dbraw/zinc/26/70/30/588267030.db2.gz BRFRLWUTOXPHIC-SSDOTTSWSA-N -1 3 243.690 1.697 20 10 BDCDHM CC(C)[C@H](C[NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000848638666 588403255 /nfs/dbraw/zinc/40/32/55/588403255.db2.gz BJAGOYYPUOHAMJ-NSHDSACASA-N -1 3 237.299 1.839 20 10 BDCDHM Cc1cc([O-])c(CNC/C=C/CO)c(Cl)c1 ZINC000850357595 588538774 /nfs/dbraw/zinc/53/87/74/588538774.db2.gz OURBYOISLGAUGO-NSCUHMNNSA-N -1 3 241.718 1.992 20 10 BDCDHM CCN1CC[C@H](N(C)Cc2ccccc2[O-])C1=O ZINC000851841494 588634276 /nfs/dbraw/zinc/63/42/76/588634276.db2.gz UBISZYARWFDVJO-LBPRGKRZSA-N -1 3 248.326 1.445 20 10 BDCDHM CN(Cc1cnon1)Cc1ccccc1[O-] ZINC000851840228 588634439 /nfs/dbraw/zinc/63/44/39/588634439.db2.gz CPDGRJBHSKQQJS-UHFFFAOYSA-N -1 3 219.244 1.407 20 10 BDCDHM Cc1ccc(CN2CCc3c[nH]nc3C2)c([O-])c1 ZINC000876760259 590238632 /nfs/dbraw/zinc/23/86/32/590238632.db2.gz PIEPERCVXJKVHB-UHFFFAOYSA-N -1 3 243.310 1.982 20 10 BDCDHM O=C(Nc1ccc(F)cn1)c1cccc(O)c1[O-] ZINC000126456723 590312001 /nfs/dbraw/zinc/31/20/01/590312001.db2.gz GWPSUNJFWXDOAF-UHFFFAOYSA-N -1 3 248.213 1.884 20 10 BDCDHM Cc1ccc(CNCC(F)(F)CO)c([O-])c1 ZINC000877392957 590322168 /nfs/dbraw/zinc/32/21/68/590322168.db2.gz IZKKZSBSMKDPNW-UHFFFAOYSA-N -1 3 231.242 1.418 20 10 BDCDHM Cc1cccc([O-])c1CNCC(F)(F)CO ZINC000877391349 590322216 /nfs/dbraw/zinc/32/22/16/590322216.db2.gz CDJQFDJPRHSSTM-UHFFFAOYSA-N -1 3 231.242 1.418 20 10 BDCDHM O=C(NCc1ccoc1)c1cccc(O)c1[O-] ZINC000126562009 590348618 /nfs/dbraw/zinc/34/86/18/590348618.db2.gz MZXSLSPWGJWAKZ-UHFFFAOYSA-N -1 3 233.223 1.621 20 10 BDCDHM CCOc1ccc(CN2CC(C)(O)C2)c([O-])c1 ZINC000877581115 590365838 /nfs/dbraw/zinc/36/58/38/590365838.db2.gz OCLIVBREHUVDLW-UHFFFAOYSA-N -1 3 237.299 1.358 20 10 BDCDHM Cc1ccc(CN2Cc3cnn(C)c3C2)c([O-])c1 ZINC000877632599 590379060 /nfs/dbraw/zinc/37/90/60/590379060.db2.gz GULPNMPXCVLOBD-UHFFFAOYSA-N -1 3 243.310 1.950 20 10 BDCDHM C[C@@H](N[C@@H](C)c1nnnn1C)c1ccccc1[O-] ZINC000879649482 590842145 /nfs/dbraw/zinc/84/21/45/590842145.db2.gz UMHUCJBMZLQTHT-BDAKNGLRSA-N -1 3 247.302 1.328 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CC[C@@H](CF)C1 ZINC000881669329 591262860 /nfs/dbraw/zinc/26/28/60/591262860.db2.gz UDDFBHWLMKXXJX-ZETCQYMHSA-N -1 3 229.276 1.885 20 10 BDCDHM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cccc(O)c1[O-] ZINC000787717543 636929618 /nfs/dbraw/zinc/92/96/18/636929618.db2.gz AWTDALHQNQLOAY-AKZRSSKFSA-N -1 3 233.267 1.626 20 10 BDCDHM O=C(Nc1ccc(=O)[nH]c1)c1cccc(O)c1[O-] ZINC000311170028 640780384 /nfs/dbraw/zinc/78/03/84/640780384.db2.gz SDUVHHHYQXJSOV-UHFFFAOYSA-N -1 3 246.222 1.451 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CCC(F)(F)C1 ZINC000313309031 641555427 /nfs/dbraw/zinc/55/54/27/641555427.db2.gz BGDKAQBEWMHBPD-UHFFFAOYSA-N -1 3 243.209 1.579 20 10 BDCDHM C[C@@H]1C[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922397118 643987155 /nfs/dbraw/zinc/98/71/55/643987155.db2.gz LQOADKYFJIBNLO-GMSGAONNSA-N -1 3 238.262 1.739 20 10 BDCDHM Cc1ocnc1CNC(=O)c1cccc(O)c1[O-] ZINC000398389640 711409771 /nfs/dbraw/zinc/40/97/71/711409771.db2.gz WJXDVFDZHMWPCM-UHFFFAOYSA-N -1 3 248.238 1.324 20 10 BDCDHM CCC(F)(F)CNC(=O)c1cccc(O)c1[O-] ZINC000700433993 711993903 /nfs/dbraw/zinc/99/39/03/711993903.db2.gz GKFPEKKCGURVFJ-UHFFFAOYSA-N -1 3 245.225 1.873 20 10 BDCDHM CN(CCCF)C(=O)c1cccc(O)c1[O-] ZINC000716736428 712571672 /nfs/dbraw/zinc/57/16/72/712571672.db2.gz SRJLCIOWQCXORD-UHFFFAOYSA-N -1 3 227.235 1.529 20 10 BDCDHM COCCN(C)Cc1c([O-])ccc(F)c1F ZINC001233331743 978564266 /nfs/dbraw/zinc/56/42/66/978564266.db2.gz JFWWZKXEUQBFEH-UHFFFAOYSA-N -1 3 231.242 1.749 20 10 BDCDHM C/C=C/C(=O)NCc1c([O-])cccc1F ZINC001156170292 963272070 /nfs/dbraw/zinc/27/20/70/963272070.db2.gz KEQJELQQHJMBIW-DUXPYHPUSA-N -1 3 209.220 1.724 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)c1cnc[nH]1 ZINC001156170054 963272612 /nfs/dbraw/zinc/27/26/12/963272612.db2.gz DSUHJCSZZSCSFD-UHFFFAOYSA-N -1 3 235.218 1.184 20 10 BDCDHM COCC1CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142509035 964344545 /nfs/dbraw/zinc/34/45/45/964344545.db2.gz UTIDENCFUXISEX-UHFFFAOYSA-N -1 3 243.253 1.749 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC(CC2CC2)C1 ZINC000699603807 966002993 /nfs/dbraw/zinc/00/29/93/966002993.db2.gz XIUVZJOJXZQWCL-UHFFFAOYSA-N -1 3 247.294 1.970 20 10 BDCDHM COC(=O)[C@@H](C)NCc1ccc(Cl)cc1[O-] ZINC001205521720 967660079 /nfs/dbraw/zinc/66/00/79/967660079.db2.gz CMATZFUGZBSQID-SSDOTTSWSA-N -1 3 243.690 1.697 20 10 BDCDHM C[C@@H](CC(=O)[O-])[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC001609888474 970585656 /nfs/dbraw/zinc/58/56/56/970585656.db2.gz MKXGPOVVPDNROH-WCBMZHEXSA-N -1 3 235.283 1.832 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CCCC(=O)CC1 ZINC001148211916 973812080 /nfs/dbraw/zinc/81/20/80/973812080.db2.gz CDORXWXLNCIKCQ-UHFFFAOYSA-N -1 3 249.266 1.293 20 10 BDCDHM C[Si](C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC001148224545 973817285 /nfs/dbraw/zinc/81/72/85/973817285.db2.gz PABWRFDZYCXXPM-UHFFFAOYSA-N -1 3 239.347 1.705 20 10 BDCDHM Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC001594358488 977631535 /nfs/dbraw/zinc/63/15/35/977631535.db2.gz BAXYBJZGEWQHFQ-GFCCVEGCSA-N -1 3 249.310 1.997 20 10 BDCDHM Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC001594358488 977631556 /nfs/dbraw/zinc/63/15/56/977631556.db2.gz BAXYBJZGEWQHFQ-GFCCVEGCSA-N -1 3 249.310 1.997 20 10 BDCDHM C[C@@H](CF)NC(=O)NCc1c([O-])cccc1F ZINC001341766706 979551856 /nfs/dbraw/zinc/55/18/56/979551856.db2.gz MEISCMOECLPNJJ-ZETCQYMHSA-N -1 3 244.241 1.689 20 10 BDCDHM O=C(N[C@@H]1C[C@@H]1C1CC1)c1cccc(O)c1[O-] ZINC000717041101 983511492 /nfs/dbraw/zinc/51/14/92/983511492.db2.gz WIDRHKZWWNQPBN-NXEZZACHSA-N -1 3 233.267 1.626 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)c1ccncn1 ZINC001471976245 987149293 /nfs/dbraw/zinc/14/92/93/987149293.db2.gz ULPLVJWMTVLROG-UHFFFAOYSA-N -1 3 247.229 1.251 20 10 BDCDHM C[C@H]1CN(Cc2c([O-])c(F)ccc2F)C[C@H]1O ZINC001139683217 987399701 /nfs/dbraw/zinc/39/97/01/987399701.db2.gz CEDDWXAFTKRLKC-WRWORJQWSA-N -1 3 243.253 1.483 20 10 BDCDHM CCCNC(=O)NCc1c([O-])cccc1F ZINC001520851957 989613634 /nfs/dbraw/zinc/61/36/34/989613634.db2.gz KPSCSUNEWOADOO-UHFFFAOYSA-N -1 3 226.251 1.741 20 10 BDCDHM [O-]c1cccc(F)c1CN1CC[C@@](F)(CO)C1 ZINC001137831640 990853342 /nfs/dbraw/zinc/85/33/42/990853342.db2.gz IGAMWPLOOFLYTG-LBPRGKRZSA-N -1 3 243.253 1.438 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@]12CCOC2 ZINC001299517434 991509434 /nfs/dbraw/zinc/50/94/34/991509434.db2.gz RPNJZGXOZSPAQY-ZDUSSCGKSA-N -1 3 249.266 1.103 20 10 BDCDHM C[N@H+](Cc1ccccc1[O-])CC1(C(=O)[O-])CC1 ZINC001598530416 992771658 /nfs/dbraw/zinc/77/16/58/992771658.db2.gz FXTWHRNSCVAJDA-UHFFFAOYSA-N -1 3 235.283 1.689 20 10 BDCDHM C[N@@H+](Cc1ccccc1[O-])CC1(C(=O)[O-])CC1 ZINC001598530416 992771668 /nfs/dbraw/zinc/77/16/68/992771668.db2.gz FXTWHRNSCVAJDA-UHFFFAOYSA-N -1 3 235.283 1.689 20 10 BDCDHM O=C(Nc1ccnnc1)c1cccc(O)c1[O-] ZINC000701933937 993940971 /nfs/dbraw/zinc/94/09/71/993940971.db2.gz LLAKBTLYSQAMTM-UHFFFAOYSA-N -1 3 231.211 1.140 20 10 BDCDHM Cc1ccc(C(=O)N(C)C(C)C)c([O-])c1O ZINC000181860070 178375118 /nfs/dbraw/zinc/37/51/18/178375118.db2.gz KNLQPDVWBXPOJG-UHFFFAOYSA-N -1 3 223.272 1.887 20 10 BDCDHM [O-]c1ccccc1CN1CCO[C@@H]2C[C@@H]21 ZINC000366559590 183301391 /nfs/dbraw/zinc/30/13/91/183301391.db2.gz NUPSZDVLXJSIMU-CMPLNLGQSA-N -1 3 205.257 1.365 20 10 BDCDHM Cc1ccc([C@@H](C)NCc2nncn2C)c([O-])c1 ZINC000038007641 384053815 /nfs/dbraw/zinc/05/38/15/384053815.db2.gz GZDRMVLIADARNF-SNVBAGLBSA-N -1 3 246.314 1.680 20 10 BDCDHM CS[C@@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000163277688 384783243 /nfs/dbraw/zinc/78/32/43/384783243.db2.gz MENSYLDJJPJYNH-ZETCQYMHSA-N -1 3 241.312 1.579 20 10 BDCDHM COC[C@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000126366422 384796401 /nfs/dbraw/zinc/79/64/01/384796401.db2.gz RTPRUBKXIYCSBI-MRVPVSSYSA-N -1 3 239.271 1.110 20 10 BDCDHM O=C1OCC[C@@]12CCCN2Cc1ccccc1[O-] ZINC000190030781 385206971 /nfs/dbraw/zinc/20/69/71/385206971.db2.gz WAKRXYMSUALBPC-AWEZNQCLSA-N -1 3 247.294 1.674 20 10 BDCDHM COC(=O)[C@@H]1CCCN1Cc1ccccc1[O-] ZINC000179555432 385473753 /nfs/dbraw/zinc/47/37/53/385473753.db2.gz WEYDOZLTJBTVCL-NSHDSACASA-N -1 3 235.283 1.530 20 10 BDCDHM CC(=O)N1CCN(Cc2ccccc2[O-])[C@H](C)C1 ZINC000271468149 385831115 /nfs/dbraw/zinc/83/11/15/385831115.db2.gz YEUJYPYSUCPZEP-LLVKDONJSA-N -1 3 248.326 1.445 20 10 BDCDHM CO[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000234901222 386114237 /nfs/dbraw/zinc/11/42/37/386114237.db2.gz LGLYVVPMWSYTRL-JTQLQIEISA-N -1 3 225.263 1.752 20 10 BDCDHM C[C@@H](N[C@@H](C)c1ccccc1[O-])c1ncnn1C ZINC000276698317 386364647 /nfs/dbraw/zinc/36/46/47/386364647.db2.gz VKGVPXKGQMDEAH-VHSXEESVSA-N -1 3 246.314 1.933 20 10 BDCDHM CC[C@@H](C)CONC(=O)c1cccc(O)c1[O-] ZINC000293675715 386859047 /nfs/dbraw/zinc/85/90/47/386859047.db2.gz IYLYAOBSFZHROZ-MRVPVSSYSA-N -1 3 239.271 1.805 20 10 BDCDHM CCC1(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000296000005 388416661 /nfs/dbraw/zinc/41/66/61/388416661.db2.gz VMUFMZDAZPOCSN-UHFFFAOYSA-N -1 3 221.256 1.770 20 10 BDCDHM CN1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000165409654 173087677 /nfs/dbraw/zinc/08/76/77/173087677.db2.gz XKPIOAVKAFPAQM-UHFFFAOYSA-N -1 3 224.279 1.279 20 10 BDCDHM CN1CCN(Cc2ccccc2[O-])C(C)(C)C1=O ZINC000179579658 173089509 /nfs/dbraw/zinc/08/95/09/173089509.db2.gz KVLXUHVASGVFIH-UHFFFAOYSA-N -1 3 248.326 1.445 20 10 BDCDHM C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)[O-] ZINC000049353273 176908109 /nfs/dbraw/zinc/90/81/09/176908109.db2.gz APSSINNZPFUMQH-JGVFFNPUSA-N -1 3 209.245 1.516 20 10 BDCDHM O=C([O-])[C@@H](C[NH2+]Cc1ccccc1[O-])C1CCC1 ZINC000854248103 588781893 /nfs/dbraw/zinc/78/18/93/588781893.db2.gz NWWRXFDMNAQYJB-LBPRGKRZSA-N -1 3 249.310 1.983 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CC2(C1)CCOC2 ZINC000854672000 588800488 /nfs/dbraw/zinc/80/04/88/588800488.db2.gz YUUNTVMHCHSNHM-UHFFFAOYSA-N -1 3 239.296 1.316 20 10 BDCDHM O=C(N[C@H]1C=CCC1)c1cccc(O)c1[O-] ZINC000829344347 582856335 /nfs/dbraw/zinc/85/63/35/582856335.db2.gz XVBLLUOBLRKEFH-QMMMGPOBSA-N -1 3 219.240 1.546 20 10 BDCDHM O=C(NCCOCCF)c1cc([O-])cs1 ZINC000856473097 588873357 /nfs/dbraw/zinc/87/33/57/588873357.db2.gz KSHLVCMBLYBOID-UHFFFAOYSA-N -1 3 233.264 1.170 20 10 BDCDHM Cc1c[nH]nc1CNCc1c([O-])cccc1F ZINC000896636662 583819516 /nfs/dbraw/zinc/81/95/16/583819516.db2.gz DYKLBTWAVFWFLN-UHFFFAOYSA-N -1 3 235.262 1.853 20 10 BDCDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@H]1O ZINC000897675628 584035245 /nfs/dbraw/zinc/03/52/45/584035245.db2.gz AXLIZIICRFTAPO-RDDDGLTNSA-N -1 3 243.253 1.483 20 10 BDCDHM C[C@H]1CN(Cc2cccc(Cl)c2[O-])C[C@H]1O ZINC000897681469 584038939 /nfs/dbraw/zinc/03/89/39/584038939.db2.gz VRPWTDDILCOTIQ-GZMMTYOYSA-N -1 3 241.718 1.858 20 10 BDCDHM [O-]c1ccccc1CN1CC[C@@H](O)[C@@H](F)C1 ZINC000898194188 584096435 /nfs/dbraw/zinc/09/64/35/584096435.db2.gz WAHARMHFQCRCCP-CMPLNLGQSA-N -1 3 225.263 1.297 20 10 BDCDHM COCCCNC(=O)c1cc([O-])cs1 ZINC000731866864 584930454 /nfs/dbraw/zinc/93/04/54/584930454.db2.gz SQUFISASMXMYAW-UHFFFAOYSA-N -1 3 215.274 1.220 20 10 BDCDHM CC(C)NC(=O)COC(=O)c1cc([O-])cs1 ZINC000731910602 584931286 /nfs/dbraw/zinc/93/12/86/584931286.db2.gz TZGGFTMCGKILQZ-UHFFFAOYSA-N -1 3 243.284 1.135 20 10 BDCDHM O=C(NC[C@@H]1CCCOC1)c1cc([O-])cs1 ZINC000732274393 584935246 /nfs/dbraw/zinc/93/52/46/584935246.db2.gz HWKSKOFBMGGJHU-QMMMGPOBSA-N -1 3 241.312 1.610 20 10 BDCDHM CC(=O)CCCOC(=O)c1cc([O-])cs1 ZINC000732353416 584936155 /nfs/dbraw/zinc/93/61/55/584936155.db2.gz HNGJBEABBQHCIO-UHFFFAOYSA-N -1 3 228.269 1.980 20 10 BDCDHM CCOC(=O)COC(=O)c1cc([O-])cs1 ZINC000745002912 585155349 /nfs/dbraw/zinc/15/53/49/585155349.db2.gz RBHXMSITSHSROY-UHFFFAOYSA-N -1 3 230.241 1.174 20 10 BDCDHM O=C(NCc1ccc[nH]1)c1cc([O-])cs1 ZINC000747516390 585180186 /nfs/dbraw/zinc/18/01/86/585180186.db2.gz LKAKHQGIMWOFEK-UHFFFAOYSA-N -1 3 222.269 1.712 20 10 BDCDHM CCC[C@@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000748323027 585190880 /nfs/dbraw/zinc/19/08/80/585190880.db2.gz UOYPRDZTACGMML-LLVKDONJSA-N -1 3 243.328 1.735 20 10 BDCDHM [O-]c1cc2c(cc1CN1CC(F)C1)OCO2 ZINC000753576547 585262427 /nfs/dbraw/zinc/26/24/27/585262427.db2.gz NOKIPRHLQJQSCU-UHFFFAOYSA-N -1 3 225.219 1.275 20 10 BDCDHM COC(=O)[C@H](C)N(C)C(=O)c1cc([O-])cs1 ZINC000839750457 585340327 /nfs/dbraw/zinc/34/03/27/585340327.db2.gz NAHJSUKWJXXHJY-LURJTMIESA-N -1 3 243.284 1.087 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CC(C(F)F)C1 ZINC000764731675 585472316 /nfs/dbraw/zinc/47/23/16/585472316.db2.gz LIJGGQUUOLAOSZ-UHFFFAOYSA-N -1 3 233.239 1.791 20 10 BDCDHM COCC1(NC(=O)c2cc([O-])cs2)CCC1 ZINC000839800345 585541441 /nfs/dbraw/zinc/54/14/41/585541441.db2.gz RYNLBRIVYRXQHC-UHFFFAOYSA-N -1 3 241.312 1.753 20 10 BDCDHM C/C=C/C[C@H](CO)NC(=O)c1cc([O-])cs1 ZINC000771742218 585599410 /nfs/dbraw/zinc/59/94/10/585599410.db2.gz BJQNXRDKYYSTNT-UFUPEUMYSA-N -1 3 241.312 1.511 20 10 BDCDHM O=C(NCCc1ccc[nH]1)c1cccc(O)c1[O-] ZINC000776357995 585696487 /nfs/dbraw/zinc/69/64/87/585696487.db2.gz WFNXBIZSZXHJGC-UHFFFAOYSA-N -1 3 246.266 1.398 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCC(F)(F)C1 ZINC000776522373 585700001 /nfs/dbraw/zinc/70/00/01/585700001.db2.gz KYLLLOCIKDAYFT-UHFFFAOYSA-N -1 3 233.239 1.935 20 10 BDCDHM Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c([O-])c1O ZINC000787719426 585914522 /nfs/dbraw/zinc/91/45/22/585914522.db2.gz GQOKUZBUBSSWDX-DOFRTFSJSA-N -1 3 247.294 1.935 20 10 BDCDHM C[C@@H]1C[C@H](O)CN1C(=O)c1cc([O-])cs1 ZINC000788592312 585927417 /nfs/dbraw/zinc/92/74/17/585927417.db2.gz QCIVDCWNTLVIST-RQJHMYQMSA-N -1 3 227.285 1.049 20 10 BDCDHM C[C@H]1C[C@H](O)CN1C(=O)c1cc([O-])cs1 ZINC000788592308 585927423 /nfs/dbraw/zinc/92/74/23/585927423.db2.gz QCIVDCWNTLVIST-BQBZGAKWSA-N -1 3 227.285 1.049 20 10 BDCDHM O=C(NC[C@@H]1CC[C@H](O)C1)c1cc([O-])cs1 ZINC000789918807 585952558 /nfs/dbraw/zinc/95/25/58/585952558.db2.gz VZCAUPSGDSYKIV-SFYZADRCSA-N -1 3 241.312 1.345 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]1CO ZINC000789912198 585952780 /nfs/dbraw/zinc/95/27/80/585952780.db2.gz ZBKGIXAUWLAKRQ-SSDOTTSWSA-N -1 3 227.285 1.051 20 10 BDCDHM C[C@H]1C[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000792531651 586001974 /nfs/dbraw/zinc/00/19/74/586001974.db2.gz OYTFCOGCVALXPN-YUMQZZPRSA-N -1 3 221.256 1.721 20 10 BDCDHM C[C@H](O)CCCOC(=O)c1cc([O-])cs1 ZINC000795503606 586081891 /nfs/dbraw/zinc/08/18/91/586081891.db2.gz AXXOGDWTSWHXTR-ZETCQYMHSA-N -1 3 230.285 1.772 20 10 BDCDHM O=C(NCC1=CCCOC1)c1cc([O-])cs1 ZINC000807849830 586449906 /nfs/dbraw/zinc/44/99/06/586449906.db2.gz DOVCTTDRZSTSOD-UHFFFAOYSA-N -1 3 239.296 1.530 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCn2cncc2C1 ZINC000812296011 586572957 /nfs/dbraw/zinc/57/29/57/586572957.db2.gz JEKOBLBLJXFOLB-UHFFFAOYSA-N -1 3 249.295 1.306 20 10 BDCDHM CN(CCF)Cc1cccc(F)c1[O-] ZINC000816640227 586747118 /nfs/dbraw/zinc/74/71/18/586747118.db2.gz ZLWJNOSRJBNRKH-UHFFFAOYSA-N -1 3 201.216 1.933 20 10 BDCDHM CCOc1ccc(C[NH2+]CCC(=O)[O-])c([O-])c1 ZINC000818240063 586881762 /nfs/dbraw/zinc/88/17/62/586881762.db2.gz MTIIDVQQCCLNAD-UHFFFAOYSA-N -1 3 239.271 1.355 20 10 BDCDHM Cc1cc([O-])c(C[NH2+][C@@H](C)C(=O)[O-])cc1C ZINC000818849293 586914280 /nfs/dbraw/zinc/91/42/80/586914280.db2.gz OJINRUWLWKMLGB-VIFPVBQESA-N -1 3 223.272 1.572 20 10 BDCDHM CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC000820418715 587047646 /nfs/dbraw/zinc/04/76/46/587047646.db2.gz AQZCHJXIVXAWLG-SECBINFHSA-N -1 3 227.235 1.484 20 10 BDCDHM Cc1cccc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000821111941 587096441 /nfs/dbraw/zinc/09/64/41/587096441.db2.gz CANWAXXWLMCYTK-LLVKDONJSA-N -1 3 235.283 1.607 20 10 BDCDHM Cc1cccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000821111941 587096442 /nfs/dbraw/zinc/09/64/42/587096442.db2.gz CANWAXXWLMCYTK-LLVKDONJSA-N -1 3 235.283 1.607 20 10 BDCDHM CCON(CC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000831467118 587611061 /nfs/dbraw/zinc/61/10/61/587611061.db2.gz GNPALLUQMBNPSG-UHFFFAOYSA-N -1 3 239.271 1.820 20 10 BDCDHM C[C@@H]1CCN(C(=O)c2cc([O-])cs2)[C@H]1CO ZINC000832761435 587685536 /nfs/dbraw/zinc/68/55/36/587685536.db2.gz ZIDIODOZCHJSTO-APPZFPTMSA-N -1 3 241.312 1.297 20 10 BDCDHM NCC(F)(F)CNCc1ccccc1[O-] ZINC000841060118 587942130 /nfs/dbraw/zinc/94/21/30/587942130.db2.gz ORMALGHOWRANPS-UHFFFAOYSA-N -1 3 216.231 1.076 20 10 BDCDHM C[C@@H](CCO)N(C)C(=O)c1cc([O-])cs1 ZINC000846664104 588281410 /nfs/dbraw/zinc/28/14/10/588281410.db2.gz CRWDSWMAJHAKSS-ZETCQYMHSA-N -1 3 229.301 1.297 20 10 BDCDHM O=C([O-])C[N@H+](Cc1ccccc1[O-])C1CCC1 ZINC000848640573 588403127 /nfs/dbraw/zinc/40/31/27/588403127.db2.gz SAYMWTACBJPQMU-UHFFFAOYSA-N -1 3 235.283 1.831 20 10 BDCDHM O=C([O-])C[N@@H+](Cc1ccccc1[O-])C1CCC1 ZINC000848640573 588403129 /nfs/dbraw/zinc/40/31/29/588403129.db2.gz SAYMWTACBJPQMU-UHFFFAOYSA-N -1 3 235.283 1.831 20 10 BDCDHM C[C@@H]1C[C@H](NCc2ccccc2[O-])c2ncnn21 ZINC000850351401 588538240 /nfs/dbraw/zinc/53/82/40/588538240.db2.gz BBDIJANFLKHPJE-KOLCDFICSA-N -1 3 244.298 1.779 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CC[C@@H]1C(F)F ZINC000868605086 589567002 /nfs/dbraw/zinc/56/70/02/589567002.db2.gz ATUAKXYDPQZBAS-ZCFIWIBFSA-N -1 3 233.239 1.933 20 10 BDCDHM [O-]c1c(CN2CCC[C@H]2CO)ccc(F)c1F ZINC000876635834 590224013 /nfs/dbraw/zinc/22/40/13/590224013.db2.gz KBWXUPAJYJVPMC-VIFPVBQESA-N -1 3 243.253 1.627 20 10 BDCDHM Cc1cccc([O-])c1CN1CCc2c[nH]nc2C1 ZINC000876760923 590239063 /nfs/dbraw/zinc/23/90/63/590239063.db2.gz SLWHVUPIFVZFJT-UHFFFAOYSA-N -1 3 243.310 1.982 20 10 BDCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])no1 ZINC000126195790 590247290 /nfs/dbraw/zinc/24/72/90/590247290.db2.gz UFEFMYMUHYJURN-UHFFFAOYSA-N -1 3 234.211 1.647 20 10 BDCDHM Cc1cccc([O-])c1CNCc1cn(C)nn1 ZINC000877194453 590299333 /nfs/dbraw/zinc/29/93/33/590299333.db2.gz MXVFNFIDWKVTKY-UHFFFAOYSA-N -1 3 232.287 1.119 20 10 BDCDHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(O)c1[O-] ZINC000126491273 590320906 /nfs/dbraw/zinc/32/09/06/590320906.db2.gz CGJIBNTZTPVVPA-ZOFUNIGCSA-N -1 3 249.266 1.148 20 10 BDCDHM Cc1ccc(CN2C[C@@H]3COC[C@H](C2)O3)c([O-])c1 ZINC000877503632 590342802 /nfs/dbraw/zinc/34/28/02/590342802.db2.gz RSEGWJCNYFAELF-BETUJISGSA-N -1 3 249.310 1.300 20 10 BDCDHM C[C@H](CO)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000877527864 590349090 /nfs/dbraw/zinc/34/90/90/590349090.db2.gz WOCPWYUOJBOSML-SSDOTTSWSA-N -1 3 231.242 1.483 20 10 BDCDHM COc1cc(CNCc2ccc(C)cc2[O-])on1 ZINC000877635435 590381080 /nfs/dbraw/zinc/38/10/80/590381080.db2.gz QWVQNUAJSYQCMD-UHFFFAOYSA-N -1 3 248.282 1.987 20 10 BDCDHM O=C(OCC(=O)C(F)F)c1cc([O-])cs1 ZINC000800165138 591830555 /nfs/dbraw/zinc/83/05/55/591830555.db2.gz GKCSSYIYGKVUAB-UHFFFAOYSA-N -1 3 236.195 1.445 20 10 BDCDHM COC[C@H](CO)N[C@H](C)c1c([O-])cccc1F ZINC000886604920 592272689 /nfs/dbraw/zinc/27/26/89/592272689.db2.gz GELUGBFLSDQFBL-BDAKNGLRSA-N -1 3 243.278 1.189 20 10 BDCDHM C[C@H](C(=O)[O-])[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000235161425 598211276 /nfs/dbraw/zinc/21/12/76/598211276.db2.gz ITDJWMHZCPQLOA-SSDOTTSWSA-N -1 3 227.235 1.436 20 10 BDCDHM C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000235161425 598211277 /nfs/dbraw/zinc/21/12/77/598211277.db2.gz ITDJWMHZCPQLOA-SSDOTTSWSA-N -1 3 227.235 1.436 20 10 BDCDHM O=C([O-])[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236433446 598211332 /nfs/dbraw/zinc/21/13/32/598211332.db2.gz DJBWHEYXYXCGFM-MRVPVSSYSA-N -1 3 239.246 1.438 20 10 BDCDHM O=C([O-])[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236433446 598211333 /nfs/dbraw/zinc/21/13/33/598211333.db2.gz DJBWHEYXYXCGFM-MRVPVSSYSA-N -1 3 239.246 1.438 20 10 BDCDHM O=C([O-])[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000083403825 604788201 /nfs/dbraw/zinc/78/82/01/604788201.db2.gz CJTGZOXTMMDJIV-SNVBAGLBSA-N -1 3 221.256 1.441 20 10 BDCDHM O=C([O-])[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000083403825 604788204 /nfs/dbraw/zinc/78/82/04/604788204.db2.gz CJTGZOXTMMDJIV-SNVBAGLBSA-N -1 3 221.256 1.441 20 10 BDCDHM O=C(Nc1cnns1)c1cccc(O)c1[O-] ZINC000166373751 633112054 /nfs/dbraw/zinc/11/20/54/633112054.db2.gz PSRGEIOIJPXEMX-UHFFFAOYSA-N -1 3 237.240 1.202 20 10 BDCDHM CC[C@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000163270348 636345912 /nfs/dbraw/zinc/34/59/12/636345912.db2.gz AZOXSJWNLUNKBN-QMMMGPOBSA-N -1 3 223.272 1.968 20 10 BDCDHM Cn1cccc1CNC(=O)c1cccc(O)c1[O-] ZINC000229412980 640954593 /nfs/dbraw/zinc/95/45/93/640954593.db2.gz FKONPLBZIVDGGV-UHFFFAOYSA-N -1 3 246.266 1.366 20 10 BDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1cn[nH]c1 ZINC000229416813 640954825 /nfs/dbraw/zinc/95/48/25/640954825.db2.gz BTTLGXMPLIUHFT-ZETCQYMHSA-N -1 3 247.254 1.312 20 10 BDCDHM CC[N@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC000083410920 643448396 /nfs/dbraw/zinc/44/83/96/643448396.db2.gz BZGIIDKHNCKRBB-UHFFFAOYSA-N -1 3 209.245 1.299 20 10 BDCDHM CC[N@@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC000083410920 643448401 /nfs/dbraw/zinc/44/84/01/643448401.db2.gz BZGIIDKHNCKRBB-UHFFFAOYSA-N -1 3 209.245 1.299 20 10 BDCDHM C/C=C\CNC(=O)NCc1c([O-])cccc1F ZINC000923453289 644441334 /nfs/dbraw/zinc/44/13/34/644441334.db2.gz ADCNCLFNMSGNMN-IHWYPQMZSA-N -1 3 238.262 1.907 20 10 BDCDHM CO[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508978 964347880 /nfs/dbraw/zinc/34/78/80/964347880.db2.gz RKZHREFFMMPJAV-SECBINFHSA-N -1 3 243.253 1.891 20 10 BDCDHM C[C@@]1(O)CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001334350297 976462482 /nfs/dbraw/zinc/46/24/82/976462482.db2.gz RWHBKUYTKYUIOY-GFCCVEGCSA-N -1 3 243.253 1.627 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H]2C[C@H]2C1 ZINC000699172569 965799410 /nfs/dbraw/zinc/79/94/10/965799410.db2.gz JUTQLVFGCSXLKO-IUCAKERBSA-N -1 3 233.267 1.580 20 10 BDCDHM [O-]c1cccc(Cl)c1CNc1c[nH]nn1 ZINC001203976239 966836528 /nfs/dbraw/zinc/83/65/28/966836528.db2.gz KEOUDVVFZQTHDR-UHFFFAOYSA-N -1 3 224.651 1.776 20 10 BDCDHM C[C@@H]([NH2+]C1CC(C(=O)[O-])C1)c1ccccc1[O-] ZINC001594206137 977554323 /nfs/dbraw/zinc/55/43/23/977554323.db2.gz AHQNASOQWKOVFL-XNWIYYODSA-N -1 3 235.283 1.906 20 10 BDCDHM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC1CC1 ZINC001231446208 977591887 /nfs/dbraw/zinc/59/18/87/977591887.db2.gz FPWMDOJERBTRAH-UHFFFAOYSA-N -1 3 235.283 1.932 20 10 BDCDHM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC1CC1 ZINC001231446208 977591894 /nfs/dbraw/zinc/59/18/94/977591894.db2.gz FPWMDOJERBTRAH-UHFFFAOYSA-N -1 3 235.283 1.932 20 10 BDCDHM CCC[N@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446401 977592836 /nfs/dbraw/zinc/59/28/36/977592836.db2.gz ILCCCSKYNSPYBQ-UHFFFAOYSA-N -1 3 223.272 1.932 20 10 BDCDHM CCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446401 977592845 /nfs/dbraw/zinc/59/28/45/977592845.db2.gz ILCCCSKYNSPYBQ-UHFFFAOYSA-N -1 3 223.272 1.932 20 10 BDCDHM CC(C)[N@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231559936 977638060 /nfs/dbraw/zinc/63/80/60/977638060.db2.gz LFVBQYNIIMUJQT-UHFFFAOYSA-N -1 3 223.272 1.931 20 10 BDCDHM CC(C)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231559936 977638065 /nfs/dbraw/zinc/63/80/65/977638065.db2.gz LFVBQYNIIMUJQT-UHFFFAOYSA-N -1 3 223.272 1.931 20 10 BDCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CC(O)C1 ZINC001233451904 978608511 /nfs/dbraw/zinc/60/85/11/978608511.db2.gz CXCTWBSGCTUSIE-UHFFFAOYSA-N -1 3 247.216 1.588 20 10 BDCDHM C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])C(=O)[O-] ZINC001603193484 979397741 /nfs/dbraw/zinc/39/77/41/979397741.db2.gz WLPQCKSZVQSPEQ-BDAKNGLRSA-N -1 3 223.272 1.764 20 10 BDCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@@H](O)C1 ZINC001237946308 980115142 /nfs/dbraw/zinc/11/51/42/980115142.db2.gz IMNBYIXYJSKTBS-MRVPVSSYSA-N -1 3 245.681 1.751 20 10 BDCDHM O=C(N[C@H]1C[C@H]1C1CC1)c1cccc(O)c1[O-] ZINC000717041102 983513384 /nfs/dbraw/zinc/51/33/84/983513384.db2.gz WIDRHKZWWNQPBN-UWVGGRQHSA-N -1 3 233.267 1.626 20 10 BDCDHM C[C@H]([NH2+]CC1(C(=O)[O-])CC1)c1ccccc1[O-] ZINC001599902074 988866820 /nfs/dbraw/zinc/86/68/20/988866820.db2.gz IXCKVZMNIVKDCT-VIFPVBQESA-N -1 3 235.283 1.908 20 10 BDCDHM Cc1ccc(C(=O)N(C)C2CC2)c([O-])c1O ZINC000177676540 178375443 /nfs/dbraw/zinc/37/54/43/178375443.db2.gz JHHOXEOVYQNOCD-UHFFFAOYSA-N -1 3 221.256 1.641 20 10 BDCDHM CN(Cc1ccnn1C)Cc1ccccc1[O-] ZINC000091974539 398304241 /nfs/dbraw/zinc/30/42/41/398304241.db2.gz IBZHODYFWNFSFW-UHFFFAOYSA-N -1 3 231.299 1.758 20 10 BDCDHM [O-]c1ccc(Cl)cc1CN1CC[C@@H](O)C1 ZINC000128082804 343787458 /nfs/dbraw/zinc/78/74/58/343787458.db2.gz WVHGSLIFJYTGIM-SNVBAGLBSA-N -1 3 227.691 1.612 20 10 BDCDHM [O-]c1ccccc1CN(CCO)CC(F)F ZINC000193020133 183070191 /nfs/dbraw/zinc/07/01/91/183070191.db2.gz BHHKAVBXCKYQQN-UHFFFAOYSA-N -1 3 231.242 1.452 20 10 BDCDHM [O-]c1ccc(F)cc1CNCC(F)F ZINC000236560059 183274536 /nfs/dbraw/zinc/27/45/36/183274536.db2.gz NOJDFGVIOTXMJZ-UHFFFAOYSA-N -1 3 205.179 1.886 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CC(n2ccnn2)C1 ZINC000374822368 183274656 /nfs/dbraw/zinc/27/46/56/183274656.db2.gz DSAKUQMSRJYZRJ-UHFFFAOYSA-N -1 3 248.261 1.180 20 10 BDCDHM [O-]c1cc2c(cc1CN1CCO[C@H]3C[C@H]31)OCO2 ZINC000368313087 183260425 /nfs/dbraw/zinc/26/04/25/183260425.db2.gz SOVQWRZILGRGEJ-KOLCDFICSA-N -1 3 249.266 1.094 20 10 BDCDHM [O-]c1ccccc1CN1CC(n2ccnn2)C1 ZINC000370071969 183301365 /nfs/dbraw/zinc/30/13/65/183301365.db2.gz JRZRDMVTZPDVLT-UHFFFAOYSA-N -1 3 230.271 1.041 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CCCC1 ZINC000126189332 384746572 /nfs/dbraw/zinc/74/65/72/384746572.db2.gz YDQWTYXCSTZEII-UHFFFAOYSA-N -1 3 207.229 1.334 20 10 BDCDHM CCN(C(=O)c1cccc(O)c1[O-])C(C)C ZINC000163269742 384783178 /nfs/dbraw/zinc/78/31/78/384783178.db2.gz PVPBADOWFAHDEP-UHFFFAOYSA-N -1 3 223.272 1.968 20 10 BDCDHM CCN(CC1CC1)C(=O)c1cccc(O)c1[O-] ZINC000126425342 384797958 /nfs/dbraw/zinc/79/79/58/384797958.db2.gz QWPAEQTXSNCIEJ-UHFFFAOYSA-N -1 3 235.283 1.970 20 10 BDCDHM COC(=O)[C@H]1CCCCN1Cc1ccccc1[O-] ZINC000179558525 385473254 /nfs/dbraw/zinc/47/32/54/385473254.db2.gz BRBMZGSBAFYQNF-GFCCVEGCSA-N -1 3 249.310 1.920 20 10 BDCDHM CN(Cc1ccccc1[O-])CC1OCCO1 ZINC000182652257 385691095 /nfs/dbraw/zinc/69/10/95/385691095.db2.gz VJWIFPMAMJFONX-UHFFFAOYSA-N -1 3 223.272 1.197 20 10 BDCDHM Cc1ccc(C(=O)NC2CCC2)c([O-])c1O ZINC000272708392 385923322 /nfs/dbraw/zinc/92/33/22/385923322.db2.gz CCFMXYUINDOAPU-UHFFFAOYSA-N -1 3 221.256 1.689 20 10 BDCDHM C[C@@H](CF)NC(=O)c1cccc(O)c1[O-] ZINC000288371086 386191474 /nfs/dbraw/zinc/19/14/74/386191474.db2.gz UXIOHQQPYYCXTE-LURJTMIESA-N -1 3 213.208 1.186 20 10 BDCDHM C[C@@H](CO)N(C)Cc1c([O-])cccc1Cl ZINC000289394797 386296605 /nfs/dbraw/zinc/29/66/05/386296605.db2.gz FNMMVDJSSVRNAC-QMMMGPOBSA-N -1 3 229.707 1.858 20 10 BDCDHM Cc1ccc(C(=O)N[C@@H]2CC2(C)C)c([O-])c1O ZINC000272760546 397986643 /nfs/dbraw/zinc/98/66/43/397986643.db2.gz LJXIBRABVHXWAX-SECBINFHSA-N -1 3 235.283 1.935 20 10 BDCDHM COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C(=O)[O-])c1 ZINC000049353969 175160587 /nfs/dbraw/zinc/16/05/87/175160587.db2.gz IPTYVMQUEVGTEZ-YUMQZZPRSA-N -1 3 239.271 1.525 20 10 BDCDHM C[C@@H](NCc1nccn1C)c1ccccc1[O-] ZINC000071273074 175908630 /nfs/dbraw/zinc/90/86/30/175908630.db2.gz YYPMOROQHVKZLN-SNVBAGLBSA-N -1 3 231.299 1.977 20 10 BDCDHM C[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000163272205 177108396 /nfs/dbraw/zinc/10/83/96/177108396.db2.gz IDXJKRFDCBUVLG-QMMMGPOBSA-N -1 3 221.256 1.722 20 10 BDCDHM C[C@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000132475224 177266340 /nfs/dbraw/zinc/26/63/40/177266340.db2.gz BYDJSZQDXJOBQO-JTQLQIEISA-N -1 3 207.273 1.613 20 10 BDCDHM O=C(N[C@@H]1CCn2ccnc21)c1cc([O-])cs1 ZINC000854684812 588801195 /nfs/dbraw/zinc/80/11/95/588801195.db2.gz GARLEBPVCBCOLI-MRVPVSSYSA-N -1 3 249.295 1.525 20 10 BDCDHM COC(=O)[C@@H](CF)NCc1ccc(C)cc1[O-] ZINC000877529927 583323439 /nfs/dbraw/zinc/32/34/39/583323439.db2.gz OFRHWETWVKQENS-SNVBAGLBSA-N -1 3 241.262 1.301 20 10 BDCDHM C[C@@H]1C[C@H](O)CN1Cc1cc(F)cc(F)c1[O-] ZINC000894539843 583480398 /nfs/dbraw/zinc/48/03/98/583480398.db2.gz XKDLVCKCFOPKHH-XCBNKYQSSA-N -1 3 243.253 1.626 20 10 BDCDHM C[C@@H](CO)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000894771228 583517019 /nfs/dbraw/zinc/51/70/19/583517019.db2.gz ZNFXQLOQFKEUMF-ZETCQYMHSA-N -1 3 231.242 1.483 20 10 BDCDHM [O-]c1c(Cl)cccc1CN1C[C@@H]2C[C@]2(O)C1 ZINC000895654426 583701096 /nfs/dbraw/zinc/70/10/96/583701096.db2.gz RICHJUHYBKLTMB-CABZTGNLSA-N -1 3 239.702 1.612 20 10 BDCDHM [O-]c1ccccc1CN1CCc2ncncc2C1 ZINC000895722028 583712659 /nfs/dbraw/zinc/71/26/59/583712659.db2.gz BSUXQMWAUQEHGZ-UHFFFAOYSA-N -1 3 241.294 1.741 20 10 BDCDHM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@H]1O ZINC000897681470 584039198 /nfs/dbraw/zinc/03/91/98/584039198.db2.gz VRPWTDDILCOTIQ-KCJUWKMLSA-N -1 3 241.718 1.858 20 10 BDCDHM [O-]c1ccccc1CN1CC[C@@H](O)[C@H](F)C1 ZINC000898194191 584096086 /nfs/dbraw/zinc/09/60/86/584096086.db2.gz WAHARMHFQCRCCP-ZYHUDNBSSA-N -1 3 225.263 1.297 20 10 BDCDHM [O-]c1ccc(Cl)cc1CN[C@H]1CNOC1 ZINC000904427250 584881736 /nfs/dbraw/zinc/88/17/36/584881736.db2.gz TWRLZGDACZGZJF-VIFPVBQESA-N -1 3 228.679 1.039 20 10 BDCDHM Cc1ccc(CNCc2ccon2)c([O-])c1 ZINC000877076196 584889684 /nfs/dbraw/zinc/88/96/84/584889684.db2.gz NUHUELYXBSHYDT-UHFFFAOYSA-N -1 3 218.256 1.978 20 10 BDCDHM CCOCCNC(=O)c1cc([O-])cs1 ZINC000731871736 584929953 /nfs/dbraw/zinc/92/99/53/584929953.db2.gz LMRAHIPQIJUTHU-UHFFFAOYSA-N -1 3 215.274 1.220 20 10 BDCDHM CCOCCOC(=O)c1cc([O-])cs1 ZINC000731910001 584931081 /nfs/dbraw/zinc/93/10/81/584931081.db2.gz MMDKGCLOLZVUQK-UHFFFAOYSA-N -1 3 216.258 1.647 20 10 BDCDHM Cc1noc(COC(=O)c2cc([O-])cs2)n1 ZINC000731910398 584931123 /nfs/dbraw/zinc/93/11/23/584931123.db2.gz QTMODLGTAOKYLY-UHFFFAOYSA-N -1 3 240.240 1.502 20 10 BDCDHM O=C(Nc1ccncc1)c1cc([O-])cs1 ZINC000732262727 584935048 /nfs/dbraw/zinc/93/50/48/584935048.db2.gz XHHLTRCZNIBTIV-UHFFFAOYSA-N -1 3 220.253 1.523 20 10 BDCDHM Cc1cc(NC(=O)c2cc([O-])cs2)nn1C ZINC000749293034 585201028 /nfs/dbraw/zinc/20/10/28/585201028.db2.gz YWPYSDSMYZEIBO-UHFFFAOYSA-N -1 3 237.284 1.748 20 10 BDCDHM C[C@H](O)C[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000753469069 585259419 /nfs/dbraw/zinc/25/94/19/585259419.db2.gz YQBULPKECJMYHW-BQBZGAKWSA-N -1 3 229.301 1.343 20 10 BDCDHM C[C@@]1(CNC(=O)c2cc([O-])cs2)CCCO1 ZINC000755860220 585308848 /nfs/dbraw/zinc/30/88/48/585308848.db2.gz NZKXODGVDANPDD-NSHDSACASA-N -1 3 241.312 1.753 20 10 BDCDHM CCC1(CNC(=O)c2cc([O-])cs2)COC1 ZINC000839786622 585342116 /nfs/dbraw/zinc/34/21/16/585342116.db2.gz BOYZZMWQBZNVKI-UHFFFAOYSA-N -1 3 241.312 1.610 20 10 BDCDHM C[C@@H](NC(=O)c1cc([O-])cs1)c1cn[nH]c1 ZINC000757924537 585347063 /nfs/dbraw/zinc/34/70/63/585347063.db2.gz IJLLGUQUSHFNGW-ZCFIWIBFSA-N -1 3 237.284 1.668 20 10 BDCDHM CC[C@H]1CN(C(=O)c2cc([O-])cs2)C[C@@H]1O ZINC000760978882 585402981 /nfs/dbraw/zinc/40/29/81/585402981.db2.gz CRLMGALHHGWRGG-CBAPKCEASA-N -1 3 241.312 1.297 20 10 BDCDHM CC[C@@H](C)[C@@H](O)CNC(=O)c1cc([O-])cs1 ZINC000771063146 585589593 /nfs/dbraw/zinc/58/95/93/585589593.db2.gz DWGIYFSCZSKYSC-APPZFPTMSA-N -1 3 243.328 1.591 20 10 BDCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)CC[C@H]1O ZINC000779462843 585755672 /nfs/dbraw/zinc/75/56/72/585755672.db2.gz VYIVQOKOTYPAQJ-VXNVDRBHSA-N -1 3 241.312 1.297 20 10 BDCDHM CC(C)N1CCN(Cc2ccccc2[O-])CC1=O ZINC000780793630 585784941 /nfs/dbraw/zinc/78/49/41/585784941.db2.gz UKEKFIBFAGHYJC-UHFFFAOYSA-N -1 3 248.326 1.445 20 10 BDCDHM COCC[C@@H](C)CNC(=O)c1cc([O-])cs1 ZINC000839810346 585898542 /nfs/dbraw/zinc/89/85/42/585898542.db2.gz LTFHEIFZKVDOAQ-MRVPVSSYSA-N -1 3 243.328 1.856 20 10 BDCDHM OCc1nnc(Sc2ncc(Cl)s2)[n-]1 ZINC000795163940 586069784 /nfs/dbraw/zinc/06/97/84/586069784.db2.gz QTPDRLNWHOVFEI-UHFFFAOYSA-N -1 3 248.720 1.558 20 10 BDCDHM OCc1n[n-]c(Sc2ncc(Cl)s2)n1 ZINC000795163940 586069786 /nfs/dbraw/zinc/06/97/86/586069786.db2.gz QTPDRLNWHOVFEI-UHFFFAOYSA-N -1 3 248.720 1.558 20 10 BDCDHM OCc1nc(Sc2ncc(Cl)s2)n[n-]1 ZINC000795163940 586069788 /nfs/dbraw/zinc/06/97/88/586069788.db2.gz QTPDRLNWHOVFEI-UHFFFAOYSA-N -1 3 248.720 1.558 20 10 BDCDHM C[C@@H](O)CCCOC(=O)c1cc([O-])cs1 ZINC000795503603 586081957 /nfs/dbraw/zinc/08/19/57/586081957.db2.gz AXXOGDWTSWHXTR-SSDOTTSWSA-N -1 3 230.285 1.772 20 10 BDCDHM [O-]c1c(F)cccc1CN1CC[C@](F)(CO)C1 ZINC000802660333 586308523 /nfs/dbraw/zinc/30/85/23/586308523.db2.gz IPYSWVVXOGMASC-GFCCVEGCSA-N -1 3 243.253 1.438 20 10 BDCDHM COc1cccc([O-])c1CNCc1nonc1C ZINC000809744366 586516325 /nfs/dbraw/zinc/51/63/25/586516325.db2.gz HXTAOYGKUSEMPV-UHFFFAOYSA-N -1 3 249.270 1.382 20 10 BDCDHM CCOc1ccc(CN2CCO[C@H]3C[C@H]32)c([O-])c1 ZINC000814172523 586615598 /nfs/dbraw/zinc/61/55/98/586615598.db2.gz QKWZVZXEQUIBOY-OCCSQVGLSA-N -1 3 249.310 1.764 20 10 BDCDHM [O-]c1ccccc1CN1CCc2nn[nH]c2C1 ZINC000827884417 587407778 /nfs/dbraw/zinc/40/77/78/587407778.db2.gz BFNGPFKKPUNUFV-UHFFFAOYSA-N -1 3 230.271 1.069 20 10 BDCDHM CO[C@H](CNC(=O)c1cc([O-])cs1)C(C)C ZINC000829415130 587496700 /nfs/dbraw/zinc/49/67/00/587496700.db2.gz KLQQJEIGBXFSEY-SECBINFHSA-N -1 3 243.328 1.855 20 10 BDCDHM CCN(CCCO)C(=O)c1cc([O-])cs1 ZINC000831224581 587592986 /nfs/dbraw/zinc/59/29/86/587592986.db2.gz LUVXBBHSUOLZIX-UHFFFAOYSA-N -1 3 229.301 1.298 20 10 BDCDHM COc1ccc([O-])c(C[NH2+]C(C)(C)C(=O)[O-])c1 ZINC000833733977 587728987 /nfs/dbraw/zinc/72/89/87/587728987.db2.gz XQLXALURLGSENZ-UHFFFAOYSA-N -1 3 239.271 1.354 20 10 BDCDHM CCON(C(=O)c1cccc(O)c1[O-])C(C)C ZINC000844075919 588160580 /nfs/dbraw/zinc/16/05/80/588160580.db2.gz ZUDPNEGNYIOGRL-UHFFFAOYSA-N -1 3 239.271 1.900 20 10 BDCDHM C[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC000848638862 588403190 /nfs/dbraw/zinc/40/31/90/588403190.db2.gz WZPOWTOVFDQEDL-ZETCQYMHSA-N -1 3 227.235 1.342 20 10 BDCDHM Cc1cc([O-])c(CNC/C=C\CO)c(Cl)c1 ZINC000850357594 588538863 /nfs/dbraw/zinc/53/88/63/588538863.db2.gz OURBYOISLGAUGO-IHWYPQMZSA-N -1 3 241.718 1.992 20 10 BDCDHM CC(=O)CN(C(=O)c1cc([O-])cs1)C(C)C ZINC000868597691 589566494 /nfs/dbraw/zinc/56/64/94/589566494.db2.gz SJCVTQIVAWCKJS-UHFFFAOYSA-N -1 3 241.312 1.893 20 10 BDCDHM O=C(c1cc([O-])cs1)N1C[C@@H]2COC[C@@H]2C1 ZINC000872315805 589909825 /nfs/dbraw/zinc/90/98/25/589909825.db2.gz KHLXYAXDBBGNLX-OCAPTIKFSA-N -1 3 239.296 1.172 20 10 BDCDHM Cc1ccc(CN2CC(=O)N(C)C[C@H]2C)c([O-])c1 ZINC000877461306 590331025 /nfs/dbraw/zinc/33/10/25/590331025.db2.gz DKKGRLHHCVWKEH-LLVKDONJSA-N -1 3 248.326 1.363 20 10 BDCDHM CCOC(=O)[C@H](C)NCc1c(C)cccc1[O-] ZINC000877470339 590335378 /nfs/dbraw/zinc/33/53/78/590335378.db2.gz CDEMEVMCNWNEMK-JTQLQIEISA-N -1 3 237.299 1.742 20 10 BDCDHM CCN1CN(Cc2ccc(C)cc2[O-])CC1=O ZINC000877474148 590335587 /nfs/dbraw/zinc/33/55/87/590335587.db2.gz RPCBEJGKKXMEDL-UHFFFAOYSA-N -1 3 234.299 1.322 20 10 BDCDHM COC(=O)[C@H](CF)NCc1c(C)cccc1[O-] ZINC000877529816 590349158 /nfs/dbraw/zinc/34/91/58/590349158.db2.gz NFTOMAYNFZHPDD-JTQLQIEISA-N -1 3 241.262 1.301 20 10 BDCDHM Cc1noc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000126562500 590349521 /nfs/dbraw/zinc/34/95/21/590349521.db2.gz AHULFFOYAUAADM-UHFFFAOYSA-N -1 3 235.199 1.042 20 10 BDCDHM C[C@@H]1[C@H](O)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877571644 590363377 /nfs/dbraw/zinc/36/33/77/590363377.db2.gz GVEKZHUNZSNSAJ-GMSGAONNSA-N -1 3 243.253 1.626 20 10 BDCDHM Cc1cc([O-])c(CN2CC(C)(O)C2)c(Cl)c1 ZINC000877580888 590366105 /nfs/dbraw/zinc/36/61/05/590366105.db2.gz JCZKKVKVNXQXOL-UHFFFAOYSA-N -1 3 241.718 1.921 20 10 BDCDHM Cc1ccc(CN2CCO[C@H](CF)C2)c([O-])c1 ZINC000877586494 590368015 /nfs/dbraw/zinc/36/80/15/590368015.db2.gz HLPXCYNIOKIFOK-GFCCVEGCSA-N -1 3 239.290 1.871 20 10 BDCDHM Cc1ccc(CN(C)Cc2cn(C)nn2)c([O-])c1 ZINC000877630657 590377552 /nfs/dbraw/zinc/37/75/52/590377552.db2.gz IGVMTGVPSSZOCB-UHFFFAOYSA-N -1 3 246.314 1.461 20 10 BDCDHM CCn1ncc(CNCc2ccc(C)cc2[O-])n1 ZINC000877647931 590383900 /nfs/dbraw/zinc/38/39/00/590383900.db2.gz JTXPQCMDHGEAHP-UHFFFAOYSA-N -1 3 246.314 1.602 20 10 BDCDHM CCc1cc(NC(=O)c2cccc(O)c2[O-])n[nH]1 ZINC000126648105 590391891 /nfs/dbraw/zinc/39/18/91/590391891.db2.gz BQSCKOLBZHVTSS-UHFFFAOYSA-N -1 3 247.254 1.636 20 10 BDCDHM C[C@@H](NC/C=C\CO)c1c([O-])cccc1F ZINC000886636071 592284250 /nfs/dbraw/zinc/28/42/50/592284250.db2.gz FSWKWNILDIJVJU-PKRMOACSSA-N -1 3 225.263 1.730 20 10 BDCDHM O=C(N=S1(=O)CCCC1)c1cc([O-])cs1 ZINC000925909697 635624337 /nfs/dbraw/zinc/62/43/37/635624337.db2.gz KGJYJRRMHYVYNU-UHFFFAOYSA-N -1 3 245.325 1.856 20 10 BDCDHM CCCNC(=S)NCc1c([O-])cccc1F ZINC000905661577 637874456 /nfs/dbraw/zinc/87/44/56/637874456.db2.gz ONPGHJTVYYIPFQ-UHFFFAOYSA-N -1 3 242.319 1.905 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)OCCF ZINC000921450902 642626005 /nfs/dbraw/zinc/62/60/05/642626005.db2.gz HCMIDXIIHQJUKK-UHFFFAOYSA-N -1 3 231.198 1.727 20 10 BDCDHM Cc1ccc(C(=O)Nc2ccnn2C)c([O-])c1O ZINC000182275215 642981284 /nfs/dbraw/zinc/98/12/84/642981284.db2.gz QSSVUSREVPGWLV-UHFFFAOYSA-N -1 3 247.254 1.392 20 10 BDCDHM CC[N@H+](CCC(=O)[O-])Cc1ccc(C)cc1[O-] ZINC001605442983 979875444 /nfs/dbraw/zinc/87/54/44/979875444.db2.gz KHLFAHURTSMZQH-UHFFFAOYSA-N -1 3 237.299 1.997 20 10 BDCDHM CC[N@@H+](CCC(=O)[O-])Cc1ccc(C)cc1[O-] ZINC001605442983 979875447 /nfs/dbraw/zinc/87/54/47/979875447.db2.gz KHLFAHURTSMZQH-UHFFFAOYSA-N -1 3 237.299 1.997 20 10 BDCDHM CCC[N@H+](CC(=O)[O-])Cc1cc(F)ccc1[O-] ZINC000233005732 949795135 /nfs/dbraw/zinc/79/51/35/949795135.db2.gz DXOLHMFXZDIBJN-UHFFFAOYSA-N -1 3 241.262 1.828 20 10 BDCDHM CCC[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1[O-] ZINC000233005732 949795145 /nfs/dbraw/zinc/79/51/45/949795145.db2.gz DXOLHMFXZDIBJN-UHFFFAOYSA-N -1 3 241.262 1.828 20 10 BDCDHM C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)[O-] ZINC000049353265 957477735 /nfs/dbraw/zinc/47/77/35/957477735.db2.gz APSSINNZPFUMQH-YUMQZZPRSA-N -1 3 209.245 1.516 20 10 BDCDHM C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC000235506794 960445622 /nfs/dbraw/zinc/44/56/22/960445622.db2.gz KJKCQAHHXPTGKU-LURJTMIESA-N -1 3 213.208 1.094 20 10 BDCDHM CN(C)C1CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142509109 964343482 /nfs/dbraw/zinc/34/34/82/964343482.db2.gz XCIVOLQGAGCPFW-UHFFFAOYSA-N -1 3 242.269 1.416 20 10 BDCDHM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cccc(O)c1[O-] ZINC000698299943 965193371 /nfs/dbraw/zinc/19/33/71/965193371.db2.gz MQYLPOTYYVKHKG-ONGXEEELSA-N -1 3 247.294 1.874 20 10 BDCDHM CCCOCCNC(=O)c1cccc(O)c1[O-] ZINC000714975176 965570907 /nfs/dbraw/zinc/57/09/07/965570907.db2.gz BODMSWNUHVLMMY-UHFFFAOYSA-N -1 3 239.271 1.254 20 10 BDCDHM COc1c[nH]nc1NC(=O)c1cccc(O)c1[O-] ZINC001164204844 965793181 /nfs/dbraw/zinc/79/31/81/965793181.db2.gz WSNJNKZNUWGBRP-UHFFFAOYSA-N -1 3 249.226 1.082 20 10 BDCDHM O=C(Nc1c[nH]cn1)c1cccc(O)c1[O-] ZINC001148212251 973815272 /nfs/dbraw/zinc/81/52/72/973815272.db2.gz TVGQAQFDZCHNQR-UHFFFAOYSA-N -1 3 219.200 1.073 20 10 BDCDHM CC[C@@H](C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589626 973874346 /nfs/dbraw/zinc/87/43/46/973874346.db2.gz FEZZLABXBDCQLW-ZCFIWIBFSA-N -1 3 225.244 1.332 20 10 BDCDHM Cc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC001600417927 978691605 /nfs/dbraw/zinc/69/16/05/978691605.db2.gz LVQKRYIJAFMSOG-PHIMTYICSA-N -1 3 235.283 1.653 20 10 BDCDHM CON(C(=O)c1ccc(C)c(O)c1[O-])C(C)C ZINC001347699205 981148393 /nfs/dbraw/zinc/14/83/93/981148393.db2.gz QTTGLMIRWJTECW-UHFFFAOYSA-N -1 3 239.271 1.818 20 10 BDCDHM CCC[N@H+](CC(=O)[O-])Cc1c(C)cccc1[O-] ZINC001595855216 982783735 /nfs/dbraw/zinc/78/37/35/982783735.db2.gz HJWGDKJWGIAVIE-UHFFFAOYSA-N -1 3 237.299 1.997 20 10 BDCDHM CCC[N@@H+](CC(=O)[O-])Cc1c(C)cccc1[O-] ZINC001595855216 982783738 /nfs/dbraw/zinc/78/37/38/982783738.db2.gz HJWGDKJWGIAVIE-UHFFFAOYSA-N -1 3 237.299 1.997 20 10 BDCDHM CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)[O-] ZINC001589570279 985278841 /nfs/dbraw/zinc/27/88/41/985278841.db2.gz NPDLWPQGACLQKJ-SCZZXKLOSA-N -1 3 223.272 1.906 20 10 BDCDHM [O-]c1cccc(Cl)c1CNc1cnccn1 ZINC000381561974 986304175 /nfs/dbraw/zinc/30/41/75/986304175.db2.gz RQYOJQZJGWPQSK-UHFFFAOYSA-N -1 3 235.674 1.870 20 10 BDCDHM CC[C@@H](C)S(=O)(=O)[N-]c1cccc(O)c1O ZINC001260739364 986442275 /nfs/dbraw/zinc/44/22/75/986442275.db2.gz VFSNWIIADCKQNE-SSDOTTSWSA-N -1 3 245.300 1.638 20 10 BDCDHM [O-]c1cccc(F)c1CN1CC[C@@H](F)[C@H](O)C1 ZINC001137831507 990854086 /nfs/dbraw/zinc/85/40/86/990854086.db2.gz CAHWFUCTTCCTKP-ZYHUDNBSSA-N -1 3 243.253 1.436 20 10 BDCDHM [O-]c1cccc(F)c1CN1C[C@H](F)C[C@H]1CO ZINC001137831880 990856932 /nfs/dbraw/zinc/85/69/32/990856932.db2.gz QWHQGZAYJIXLIQ-BDAKNGLRSA-N -1 3 243.253 1.436 20 10 BDCDHM COC(CN(C)Cc1c([O-])cccc1F)OC ZINC001137839159 990859211 /nfs/dbraw/zinc/85/92/11/990859211.db2.gz UGEJRPIDOJPLJE-UHFFFAOYSA-N -1 3 243.278 1.582 20 10 BDCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@@H](CO)C1 ZINC001139684939 991309785 /nfs/dbraw/zinc/30/97/85/991309785.db2.gz RVGUAABDNJHUIO-MRVPVSSYSA-N -1 3 243.253 1.485 20 10 BDCDHM CO[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@@H]1F ZINC001140057391 991507178 /nfs/dbraw/zinc/50/71/78/991507178.db2.gz DZTHJEULUJZQDT-JQWIXIFHSA-N -1 3 243.253 1.700 20 10 BDCDHM Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]2C)c([O-])c1O ZINC000293893020 178398811 /nfs/dbraw/zinc/39/88/11/178398811.db2.gz BSLZIYNTTPAXQH-BDAKNGLRSA-N -1 3 235.283 1.887 20 10 BDCDHM Cc1cn2c(n1)CN(Cc1ccccc1[O-])CC2 ZINC000374703592 398328669 /nfs/dbraw/zinc/32/86/69/398328669.db2.gz VTPMFMKJLYMPSW-UHFFFAOYSA-N -1 3 243.310 1.913 20 10 BDCDHM Cc1ccc([C@H](C)NCC(F)(F)CO)c([O-])c1 ZINC000184705210 188346555 /nfs/dbraw/zinc/34/65/55/188346555.db2.gz XJRIBXJGNHLPCH-VIFPVBQESA-N -1 3 245.269 1.979 20 10 BDCDHM CN1CCCN(Cc2ccccc2[O-])CC1=O ZINC000191663320 357782225 /nfs/dbraw/zinc/78/22/25/357782225.db2.gz ZLUFWCZWZDSSEX-UHFFFAOYSA-N -1 3 234.299 1.056 20 10 BDCDHM O=C(NC[C@H]1CCCO1)c1cccc(O)c1[O-] ZINC000126233010 182238788 /nfs/dbraw/zinc/23/87/88/182238788.db2.gz YVWDDPBRRYQZGI-MRVPVSSYSA-N -1 3 237.255 1.007 20 10 BDCDHM CSC[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000163278256 384784111 /nfs/dbraw/zinc/78/41/11/384784111.db2.gz HFKSICAAIZNJOJ-ZETCQYMHSA-N -1 3 241.312 1.579 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1C[C@H]2CCC[C@@H]2C1 ZINC000126505195 384801773 /nfs/dbraw/zinc/80/17/73/384801773.db2.gz DILCPHXNVLVRLD-NXEZZACHSA-N -1 3 247.294 1.970 20 10 BDCDHM C[C@H]1c2nncn2CCN1Cc1ccccc1[O-] ZINC000276872860 386386250 /nfs/dbraw/zinc/38/62/50/386386250.db2.gz YRDCPAGYAUAMSA-JTQLQIEISA-N -1 3 244.298 1.561 20 10 BDCDHM COC(=O)[C@H](CF)NCc1cc(F)ccc1[O-] ZINC000290204295 386407223 /nfs/dbraw/zinc/40/72/23/386407223.db2.gz PXJXJIRRVAOUTN-VIFPVBQESA-N -1 3 245.225 1.132 20 10 BDCDHM C[C@]1(NCc2cc(F)ccc2[O-])CCOC1=O ZINC000290824643 386478849 /nfs/dbraw/zinc/47/88/49/386478849.db2.gz HBPLAAMGTFQKAT-LBPRGKRZSA-N -1 3 239.246 1.327 20 10 BDCDHM CC(C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000163267555 388260854 /nfs/dbraw/zinc/26/08/54/388260854.db2.gz QBISLUOGUATFHV-UHFFFAOYSA-N -1 3 209.245 1.578 20 10 BDCDHM CO[C@H](C)CCNC(=O)c1cccc(O)c1[O-] ZINC000280764145 397745655 /nfs/dbraw/zinc/74/56/55/397745655.db2.gz YFOJIEWYWZQGMR-MRVPVSSYSA-N -1 3 239.271 1.253 20 10 BDCDHM C[C@@H](O)CN(C)Cc1c([O-])cccc1Cl ZINC000291119791 398089947 /nfs/dbraw/zinc/08/99/47/398089947.db2.gz UTUQNQQEQUKVDO-MRVPVSSYSA-N -1 3 229.707 1.858 20 10 BDCDHM CCOC(=O)CN(Cc1ccccc1[O-])C1CC1 ZINC000179559598 170217919 /nfs/dbraw/zinc/21/79/19/170217919.db2.gz HKGLUCQYKJDRGO-UHFFFAOYSA-N -1 3 249.310 1.920 20 10 BDCDHM CC[C@@H]1CCN1C(=O)c1cccc(O)c1[O-] ZINC000294230297 171020621 /nfs/dbraw/zinc/02/06/21/171020621.db2.gz ZGSWIKAZSWIYNM-MRVPVSSYSA-N -1 3 221.256 1.722 20 10 BDCDHM CCc1nnc(CN(C)Cc2ccccc2[O-])o1 ZINC000109773616 172049143 /nfs/dbraw/zinc/04/91/43/172049143.db2.gz UJMYTOTVMNAIQN-UHFFFAOYSA-N -1 3 247.298 1.970 20 10 BDCDHM CN(C)C(=O)CNCc1cc(Cl)ccc1[O-] ZINC000037225378 172370554 /nfs/dbraw/zinc/37/05/54/172370554.db2.gz SQELQUVBBVQMMQ-UHFFFAOYSA-N -1 3 242.706 1.223 20 10 BDCDHM CN(Cc1ccccc1[O-])[C@@H]1CCN(C)C1=O ZINC000116279495 173119910 /nfs/dbraw/zinc/11/99/10/173119910.db2.gz MMVAICGUUJDYGE-LLVKDONJSA-N -1 3 234.299 1.055 20 10 BDCDHM CCC(=O)CNC(=O)c1cc([O-])cs1 ZINC000831453431 587608535 /nfs/dbraw/zinc/60/85/35/587608535.db2.gz GURDPMARNPGFMF-UHFFFAOYSA-N -1 3 213.258 1.163 20 10 BDCDHM O=C(NC1(C(F)F)CC1)c1cc([O-])cs1 ZINC000854349078 588784842 /nfs/dbraw/zinc/78/48/42/588784842.db2.gz CQFVXZQFVXNJKA-UHFFFAOYSA-N -1 3 233.239 1.981 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CC[C@H]2C[C@H]2C1 ZINC000856060744 588858710 /nfs/dbraw/zinc/85/87/10/588858710.db2.gz BJCJCBKPTNPUJY-YUMQZZPRSA-N -1 3 223.297 1.936 20 10 BDCDHM Cc1nn(C)cc1CNCc1c([O-])cccc1F ZINC000896639227 583819641 /nfs/dbraw/zinc/81/96/41/583819641.db2.gz BJCFWLJWKYMJLV-UHFFFAOYSA-N -1 3 249.289 1.863 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CC[C@@H](O)[C@@H](F)C1 ZINC000898187866 584093944 /nfs/dbraw/zinc/09/39/44/584093944.db2.gz MKSNVMUEYZAPJJ-CMPLNLGQSA-N -1 3 243.253 1.436 20 10 BDCDHM Cn1cc(CNC(=O)c2cc([O-])cs2)cn1 ZINC000731870261 584930063 /nfs/dbraw/zinc/93/00/63/584930063.db2.gz JUKBIGJZEVKQRD-UHFFFAOYSA-N -1 3 237.284 1.117 20 10 BDCDHM CSC[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000736710734 585010150 /nfs/dbraw/zinc/01/01/50/585010150.db2.gz LDULVGUQHOZVSX-LURJTMIESA-N -1 3 231.342 1.935 20 10 BDCDHM COCC1(C)CN(Cc2cc(F)ccc2[O-])C1 ZINC000839144488 585092139 /nfs/dbraw/zinc/09/21/39/585092139.db2.gz WTSQERFQCUFOCH-UHFFFAOYSA-N -1 3 239.290 2.000 20 10 BDCDHM CN(Cc1ccon1)C(=O)c1cc([O-])cs1 ZINC000740141987 585096374 /nfs/dbraw/zinc/09/63/74/585096374.db2.gz CQOLARHFHOREEA-UHFFFAOYSA-N -1 3 238.268 1.714 20 10 BDCDHM C[C@@](O)(CNC(=O)c1cc([O-])cs1)C1CC1 ZINC000743716528 585138819 /nfs/dbraw/zinc/13/88/19/585138819.db2.gz YAOULMAFXRBRHN-LLVKDONJSA-N -1 3 241.312 1.345 20 10 BDCDHM Cn1ccc(CNC(=O)c2cc([O-])cs2)c1 ZINC000747943085 585186089 /nfs/dbraw/zinc/18/60/89/585186089.db2.gz CHKCFZVRXKHURW-UHFFFAOYSA-N -1 3 236.296 1.722 20 10 BDCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)CCN1C ZINC000748346134 585191046 /nfs/dbraw/zinc/19/10/46/585191046.db2.gz AHWFWROUSAOUBB-MRVPVSSYSA-N -1 3 240.328 1.230 20 10 BDCDHM O=C(NCC1(O)CCC1)c1cc([O-])cs1 ZINC000748355330 585191476 /nfs/dbraw/zinc/19/14/76/585191476.db2.gz JOTVMAPLRYLDLX-UHFFFAOYSA-N -1 3 227.285 1.099 20 10 BDCDHM CC(C)[C@@H](CCO)NC(=O)c1cc([O-])cs1 ZINC000756785225 585323318 /nfs/dbraw/zinc/32/33/18/585323318.db2.gz BLTVZDRGSSAHPE-SECBINFHSA-N -1 3 243.328 1.591 20 10 BDCDHM Cc1c(NC(=O)c2cc([O-])cs2)cnn1C ZINC000757436620 585336895 /nfs/dbraw/zinc/33/68/95/585336895.db2.gz FXGVCLMDBWCXIA-UHFFFAOYSA-N -1 3 237.284 1.748 20 10 BDCDHM CC[C@H](NC(=O)c1cc([O-])cs1)[C@H](C)O ZINC000839783353 585341965 /nfs/dbraw/zinc/34/19/65/585341965.db2.gz XDWINTFTYXVJGV-XPUUQOCRSA-N -1 3 229.301 1.343 20 10 BDCDHM CCO[C@H]1C[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000839799280 585501467 /nfs/dbraw/zinc/50/14/67/585501467.db2.gz LUPQECZFBYGEGZ-OTSSQURYSA-N -1 3 241.312 1.751 20 10 BDCDHM COC(=O)CN(C)Cc1c([O-])cccc1Cl ZINC000768400051 585537806 /nfs/dbraw/zinc/53/78/06/585537806.db2.gz CYDBAVNGBPQKEZ-UHFFFAOYSA-N -1 3 243.690 1.650 20 10 BDCDHM Cc1ccc(C(=O)NCc2ccon2)c([O-])c1O ZINC000770503419 585575071 /nfs/dbraw/zinc/57/50/71/585575071.db2.gz QWBXISPKTGRPDX-UHFFFAOYSA-N -1 3 248.238 1.324 20 10 BDCDHM Cc1ccc(C(=O)NCc2cocn2)c([O-])c1O ZINC000780931819 585786647 /nfs/dbraw/zinc/78/66/47/585786647.db2.gz DRMQMBRXPVJTRS-UHFFFAOYSA-N -1 3 248.238 1.324 20 10 BDCDHM O=C(NCCCCF)c1cc([O-])cs1 ZINC000812611522 586580443 /nfs/dbraw/zinc/58/04/43/586580443.db2.gz OTCGPDRZKUIUJG-UHFFFAOYSA-N -1 3 217.265 1.933 20 10 BDCDHM CCN(C(=O)c1cc([O-])cs1)[C@H]1CCOC1 ZINC000812725557 586583410 /nfs/dbraw/zinc/58/34/10/586583410.db2.gz FVNGOLCJRYCKRA-QMMMGPOBSA-N -1 3 241.312 1.705 20 10 BDCDHM CC(C)[C@H]([NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000000019039 587483157 /nfs/dbraw/zinc/48/31/57/587483157.db2.gz CNFJXXOHJSQWDI-NSHDSACASA-N -1 3 223.272 1.591 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1OC2CCC1CC2 ZINC000831509006 587615437 /nfs/dbraw/zinc/61/54/37/587615437.db2.gz DBDKSEIMSGCCDU-UHFFFAOYSA-N -1 3 249.266 1.796 20 10 BDCDHM C[C@H](O)C(C)(C)NC(=O)c1cc([O-])cs1 ZINC000831524643 587616720 /nfs/dbraw/zinc/61/67/20/587616720.db2.gz KKZPRMHGWSHVOU-LURJTMIESA-N -1 3 229.301 1.343 20 10 BDCDHM C[C@H](CCO)CCNC(=O)c1cc([O-])cs1 ZINC000833221150 587702918 /nfs/dbraw/zinc/70/29/18/587702918.db2.gz DRHXKIJRXFXEOT-QMMMGPOBSA-N -1 3 243.328 1.592 20 10 BDCDHM C[C@H]1C(=O)N(C)CN1Cc1ccccc1[O-] ZINC000843435698 588110024 /nfs/dbraw/zinc/11/00/24/588110024.db2.gz RGKFUAOAWZVTDT-VIFPVBQESA-N -1 3 220.272 1.012 20 10 BDCDHM C[C@H]1C[C@H](NCc2ccccc2[O-])c2ncnn21 ZINC000850351403 588537779 /nfs/dbraw/zinc/53/77/79/588537779.db2.gz BBDIJANFLKHPJE-ONGXEEELSA-N -1 3 244.298 1.779 20 10 BDCDHM C[C@@H]1C[C@@H](NCc2ccccc2[O-])c2ncnn21 ZINC000850351402 588538102 /nfs/dbraw/zinc/53/81/02/588538102.db2.gz BBDIJANFLKHPJE-MWLCHTKSSA-N -1 3 244.298 1.779 20 10 BDCDHM CCc1noc(CN(C)Cc2ccccc2[O-])n1 ZINC000109769631 588592442 /nfs/dbraw/zinc/59/24/42/588592442.db2.gz BZUFTTDMSFORIV-UHFFFAOYSA-N -1 3 247.298 1.970 20 10 BDCDHM CO[C@H]1C[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000863672658 589309844 /nfs/dbraw/zinc/30/98/44/589309844.db2.gz NNBJRARMWMLLJK-FKQCQYRASA-N -1 3 227.285 1.361 20 10 BDCDHM Cc1ccc([O-])c(C[NH2+][C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000874046526 590085573 /nfs/dbraw/zinc/08/55/73/590085573.db2.gz BOTAWJIZEFLHNX-JGZJWPJOSA-N -1 3 235.283 1.653 20 10 BDCDHM O=C([O-])[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000874046487 590087125 /nfs/dbraw/zinc/08/71/25/590087125.db2.gz ZQWMGHIWUHJQCN-WKFQBHICSA-N -1 3 239.246 1.484 20 10 BDCDHM Cc1cccc(C[NH2+][C@H]2C[C@H](C(=O)[O-])C2)c1[O-] ZINC000874055404 590089210 /nfs/dbraw/zinc/08/92/10/590089210.db2.gz WUFWHIQYCXXMBY-XYPYZODXSA-N -1 3 235.283 1.653 20 10 BDCDHM CCn1cc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000126258461 590261459 /nfs/dbraw/zinc/26/14/59/590261459.db2.gz UCBOVKGOQYIJIT-UHFFFAOYSA-N -1 3 247.254 1.567 20 10 BDCDHM Cc1ccc(CNCc2ccn(C)n2)c([O-])c1 ZINC000877125280 590289877 /nfs/dbraw/zinc/28/98/77/590289877.db2.gz JNSFXSVPVOFUNW-UHFFFAOYSA-N -1 3 231.299 1.724 20 10 BDCDHM C[C@@H](CO)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000877527866 590348804 /nfs/dbraw/zinc/34/88/04/590348804.db2.gz WOCPWYUOJBOSML-ZETCQYMHSA-N -1 3 231.242 1.483 20 10 BDCDHM Cc1ccc(CN2CC(=O)N[C@@H](C)C2)c([O-])c1 ZINC000877568095 590362004 /nfs/dbraw/zinc/36/20/04/590362004.db2.gz XKFKPGYBFXNBCC-JTQLQIEISA-N -1 3 234.299 1.021 20 10 BDCDHM Cc1cccc([O-])c1CN1CCO[C@H](CF)C1 ZINC000877588033 590369432 /nfs/dbraw/zinc/36/94/32/590369432.db2.gz VDGGKMYDDRRWPZ-LLVKDONJSA-N -1 3 239.290 1.871 20 10 BDCDHM COC(=O)[C@@H](N[C@H](C)c1ccccc1[O-])C1CC1 ZINC000879649593 590841969 /nfs/dbraw/zinc/84/19/69/590841969.db2.gz WYSNYYPVYGJVGW-RNCFNFMXSA-N -1 3 249.310 1.994 20 10 BDCDHM CO[C@H]1CC[C@H]1N(C)C(=O)c1cc([O-])cs1 ZINC000889330882 591765402 /nfs/dbraw/zinc/76/54/02/591765402.db2.gz FMIUARRGLFJODE-BDAKNGLRSA-N -1 3 241.312 1.703 20 10 BDCDHM CCn1ccnc1CNCc1ccccc1[O-] ZINC000134294522 591912494 /nfs/dbraw/zinc/91/24/94/591912494.db2.gz QQQKZSYWYHZEQA-UHFFFAOYSA-N -1 3 231.299 1.898 20 10 BDCDHM [O-]c1ccccc1CN[C@@H](CCO)C(F)(F)F ZINC000886371506 592220471 /nfs/dbraw/zinc/22/04/71/592220471.db2.gz NOQCKWODVPXFIW-JTQLQIEISA-N -1 3 249.232 1.795 20 10 BDCDHM C[C@@H](N[C@H]1CCNC1=O)c1c([O-])cccc1F ZINC000886634377 592284427 /nfs/dbraw/zinc/28/44/27/592284427.db2.gz COMVSQBMTUDGFS-APPZFPTMSA-N -1 3 238.262 1.070 20 10 BDCDHM CC(C)(CNC(=O)[O-])[NH2+]Cc1ccccc1[O-] ZINC000738752593 602317807 /nfs/dbraw/zinc/31/78/07/602317807.db2.gz NAHMSYYGXUMZLB-UHFFFAOYSA-N -1 3 238.287 1.528 20 10 BDCDHM CC(C)[N@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC000083405497 604787953 /nfs/dbraw/zinc/78/79/53/604787953.db2.gz WICQKUHYXZXSII-UHFFFAOYSA-N -1 3 223.272 1.687 20 10 BDCDHM CC(C)[N@@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC000083405497 604787955 /nfs/dbraw/zinc/78/79/55/604787955.db2.gz WICQKUHYXZXSII-UHFFFAOYSA-N -1 3 223.272 1.687 20 10 BDCDHM Cn1ncnc1NCc1c([O-])cccc1Cl ZINC000309574323 632537261 /nfs/dbraw/zinc/53/72/61/632537261.db2.gz OFDNWYLNFFDACR-UHFFFAOYSA-N -1 3 238.678 1.786 20 10 BDCDHM C[C@@H]1C[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928707722 636340788 /nfs/dbraw/zinc/34/07/88/636340788.db2.gz HAHKUFICKCUDBY-HTQZYQBOSA-N -1 3 223.247 1.804 20 10 BDCDHM CCNC(=O)NCc1c([O-])cccc1F ZINC000905147004 637656782 /nfs/dbraw/zinc/65/67/82/637656782.db2.gz GPLBEYNQTDJJKZ-UHFFFAOYSA-N -1 3 212.224 1.350 20 10 BDCDHM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000928037410 645680526 /nfs/dbraw/zinc/68/05/26/645680526.db2.gz BLUSUHKRUHIBLU-CZULRBLNSA-N -1 3 247.294 1.872 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](CF)C1 ZINC000711472637 712303023 /nfs/dbraw/zinc/30/30/23/712303023.db2.gz VNVCEDOLIQMHDD-MRVPVSSYSA-N -1 3 239.246 1.529 20 10 BDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc[nH]1 ZINC000790911934 712421820 /nfs/dbraw/zinc/42/18/20/712421820.db2.gz WAKXKKPMHUNWFM-QMMMGPOBSA-N -1 3 246.266 1.917 20 10 BDCDHM [O-]c1cccc(F)c1CN1CCCOCC1 ZINC001137831579 967820457 /nfs/dbraw/zinc/82/04/57/967820457.db2.gz GCQUBVOLIDMYDI-UHFFFAOYSA-N -1 3 225.263 1.754 20 10 BDCDHM CO[C@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685605 961245896 /nfs/dbraw/zinc/24/58/96/961245896.db2.gz PPMJYTYOSPLDBQ-QMMMGPOBSA-N -1 3 243.253 1.891 20 10 BDCDHM CCc1nnc(-c2cccc(O)c2[O-])o1 ZINC001255061084 969867892 /nfs/dbraw/zinc/86/78/92/969867892.db2.gz KVQMBMSFWVNPDS-UHFFFAOYSA-N -1 3 206.201 1.710 20 10 BDCDHM O=C(Nc1cnoc1)c1cc(O)c([O-])c(O)c1 ZINC001148580710 973868876 /nfs/dbraw/zinc/86/88/76/973868876.db2.gz KOTBVVXELKAOAJ-UHFFFAOYSA-N -1 3 236.183 1.044 20 10 BDCDHM O=C(N[C@H]1CC12CCC2)c1cc(O)c([O-])c(O)c1 ZINC001148590240 973872372 /nfs/dbraw/zinc/87/23/72/973872372.db2.gz FQVJQEZNCFRRTR-JTQLQIEISA-N -1 3 249.266 1.476 20 10 BDCDHM O=C(NCc1cc[nH]c1)c1cc(O)c([O-])c(O)c1 ZINC001148589745 973874555 /nfs/dbraw/zinc/87/45/55/973874555.db2.gz JQKOBOFBMYKOPC-UHFFFAOYSA-N -1 3 248.238 1.062 20 10 BDCDHM O=C([O-])C1=CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC001332423110 975108264 /nfs/dbraw/zinc/10/82/64/975108264.db2.gz KSXDXJRRAOJZEV-LLVKDONJSA-N -1 3 233.267 1.655 20 10 BDCDHM C[C@@H]1CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446844 977590334 /nfs/dbraw/zinc/59/03/34/977590334.db2.gz LPWFPTAYWADFNY-MRVPVSSYSA-N -1 3 221.256 1.685 20 10 BDCDHM C[C@@H]1CC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446844 977590343 /nfs/dbraw/zinc/59/03/43/977590343.db2.gz LPWFPTAYWADFNY-MRVPVSSYSA-N -1 3 221.256 1.685 20 10 BDCDHM [O-]c1cc(F)c(F)cc1CNCCF ZINC001181324201 979043961 /nfs/dbraw/zinc/04/39/61/979043961.db2.gz PKFBLNZOBLCOSG-UHFFFAOYSA-N -1 3 205.179 1.730 20 10 BDCDHM C[C@@H]1C[C@@H]1c1nnc(-c2cc(O)c([O-])c(O)c2)o1 ZINC001256626660 987254118 /nfs/dbraw/zinc/25/41/18/987254118.db2.gz SRQIHASFVOXPSA-VDTYLAMSSA-N -1 3 248.238 1.977 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H]1C1CC1 ZINC001325245687 989129149 /nfs/dbraw/zinc/12/91/49/989129149.db2.gz FBMMGIZRJZYNHZ-JTQLQIEISA-N -1 3 233.267 1.722 20 10 BDCDHM CC[C@@H]1C(=O)NCCN1Cc1ccccc1[O-] ZINC000179569573 346989166 /nfs/dbraw/zinc/98/91/66/346989166.db2.gz GGLCHVFBJMYZOX-LLVKDONJSA-N -1 3 234.299 1.103 20 10 BDCDHM Cc1ccc(C(=O)NC(C)(C)C)c([O-])c1O ZINC000179411094 188344230 /nfs/dbraw/zinc/34/42/30/188344230.db2.gz RXUICSDHDUDKFB-UHFFFAOYSA-N -1 3 223.272 1.935 20 10 BDCDHM O=C(NCC1CC1)c1cccc(O)c1[O-] ZINC000163267420 182141170 /nfs/dbraw/zinc/14/11/70/182141170.db2.gz KCEMVESMYRUGIY-UHFFFAOYSA-N -1 3 207.229 1.238 20 10 BDCDHM [O-]c1cccc2c1[C@H](NCC(F)(F)CO)CC2 ZINC000296387342 183035374 /nfs/dbraw/zinc/03/53/74/183035374.db2.gz JOOPAZHXBPZLBI-SECBINFHSA-N -1 3 243.253 1.597 20 10 BDCDHM CC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccccc1[O-] ZINC000083414709 384301660 /nfs/dbraw/zinc/30/16/60/384301660.db2.gz CULVRXMFQQFEOZ-JTQLQIEISA-N -1 3 223.272 1.687 20 10 BDCDHM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[O-] ZINC000083414709 384301664 /nfs/dbraw/zinc/30/16/64/384301664.db2.gz CULVRXMFQQFEOZ-JTQLQIEISA-N -1 3 223.272 1.687 20 10 BDCDHM COC(=O)[C@@H](C)NCc1cc(F)ccc1[O-] ZINC000083355200 384763816 /nfs/dbraw/zinc/76/38/16/384763816.db2.gz ZNWUWPMQVKAEPN-SSDOTTSWSA-N -1 3 227.235 1.182 20 10 BDCDHM CN(CC(F)(F)F)C(=O)c1cccc(O)c1[O-] ZINC000126272978 384783349 /nfs/dbraw/zinc/78/33/49/384783349.db2.gz OCVROHODRYCNMK-UHFFFAOYSA-N -1 3 249.188 1.732 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2CCC[C@H]2C1 ZINC000126505400 384803397 /nfs/dbraw/zinc/80/33/97/384803397.db2.gz DILCPHXNVLVRLD-UWVGGRQHSA-N -1 3 247.294 1.970 20 10 BDCDHM C[C@@]1(NC(=O)c2cccc(O)c2[O-])CCOC1 ZINC000126548948 384806378 /nfs/dbraw/zinc/80/63/78/384806378.db2.gz AHTFAHKKMRLGKA-GFCCVEGCSA-N -1 3 237.255 1.007 20 10 BDCDHM CN(C)C(=O)CN(C)Cc1cc(F)ccc1[O-] ZINC000179886644 385497513 /nfs/dbraw/zinc/49/75/13/385497513.db2.gz SEIYJTAIKPKSKW-UHFFFAOYSA-N -1 3 240.278 1.051 20 10 BDCDHM COC(=O)[C@@H](C)N(C)Cc1cc(F)ccc1[O-] ZINC000280820343 385608216 /nfs/dbraw/zinc/60/82/16/385608216.db2.gz JXZBUTCCOPJODI-MRVPVSSYSA-N -1 3 241.262 1.525 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N(C1CC1)C1COC1 ZINC000295894658 386100456 /nfs/dbraw/zinc/10/04/56/386100456.db2.gz ZHSODVLLQMBXKM-UHFFFAOYSA-N -1 3 249.266 1.101 20 10 BDCDHM CN(Cc1cnns1)Cc1ccccc1[O-] ZINC000289968377 386377764 /nfs/dbraw/zinc/37/77/64/386377764.db2.gz JASVDQWLVTWGJU-UHFFFAOYSA-N -1 3 235.312 1.876 20 10 BDCDHM Cc1ccc(C(=O)N[C@@H](C)CF)c([O-])c1O ZINC000291949135 386601981 /nfs/dbraw/zinc/60/19/81/386601981.db2.gz NYJLSKZZXYCHGZ-ZETCQYMHSA-N -1 3 227.235 1.494 20 10 BDCDHM COc1c([O-])c(CNCCF)ccc1[N+](=O)[O-] ZINC000280665628 386834259 /nfs/dbraw/zinc/83/42/59/386834259.db2.gz LNWHMSKQGLLESW-UHFFFAOYSA-N -1 3 244.222 1.368 20 10 BDCDHM CCNC(=O)CN(CC)Cc1ccccc1[O-] ZINC000133614385 170057476 /nfs/dbraw/zinc/05/74/76/170057476.db2.gz PFUYACNEXGUTTK-UHFFFAOYSA-N -1 3 236.315 1.350 20 10 BDCDHM CNC(=O)[C@H](C)NCc1c([O-])cccc1Cl ZINC000083552081 173302711 /nfs/dbraw/zinc/30/27/11/173302711.db2.gz MJQYGDDJNGYQEV-ZETCQYMHSA-N -1 3 242.706 1.270 20 10 BDCDHM C[C@H]1C[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000163277320 177381157 /nfs/dbraw/zinc/38/11/57/177381157.db2.gz JMIGHOVMOIZQLV-YUMQZZPRSA-N -1 3 221.256 1.484 20 10 BDCDHM O=C([O-])C1(C[NH2+]Cc2ccccc2[O-])CCC1 ZINC000854244404 588781699 /nfs/dbraw/zinc/78/16/99/588781699.db2.gz DQBAMIMRFMHENT-UHFFFAOYSA-N -1 3 235.283 1.737 20 10 BDCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@H](CO)C1 ZINC000893985817 583269105 /nfs/dbraw/zinc/26/91/05/583269105.db2.gz HOWZSQBZHDVHRB-QMMMGPOBSA-N -1 3 243.253 1.485 20 10 BDCDHM COC(=O)[C@H](CF)NCc1ccc(C)cc1[O-] ZINC000877529924 583323504 /nfs/dbraw/zinc/32/35/04/583323504.db2.gz OFRHWETWVKQENS-JTQLQIEISA-N -1 3 241.262 1.301 20 10 BDCDHM C[C@H](CO)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000894771227 583516764 /nfs/dbraw/zinc/51/67/64/583516764.db2.gz ZNFXQLOQFKEUMF-SSDOTTSWSA-N -1 3 231.242 1.483 20 10 BDCDHM C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@H]1O ZINC000897675629 584035474 /nfs/dbraw/zinc/03/54/74/584035474.db2.gz AXLIZIICRFTAPO-WRWORJQWSA-N -1 3 243.253 1.483 20 10 BDCDHM COC[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000731864536 584929746 /nfs/dbraw/zinc/92/97/46/584929746.db2.gz ZXHBWNOZMLBADL-LURJTMIESA-N -1 3 215.274 1.218 20 10 BDCDHM O=C(NC[C@@H]1CCCO1)c1cc([O-])cs1 ZINC000731863892 584929876 /nfs/dbraw/zinc/92/98/76/584929876.db2.gz JBWIPYNQSVFCJG-QMMMGPOBSA-N -1 3 227.285 1.363 20 10 BDCDHM O=C(NCCn1ccnc1)c1cc([O-])cs1 ZINC000732271271 584935334 /nfs/dbraw/zinc/93/53/34/584935334.db2.gz UBQBCTASYXKFGB-UHFFFAOYSA-N -1 3 237.284 1.080 20 10 BDCDHM CN(CC1CC1)C(=O)c1cc([O-])cs1 ZINC000732273905 584935377 /nfs/dbraw/zinc/93/53/77/584935377.db2.gz GDAXPRQFHGAOEN-UHFFFAOYSA-N -1 3 211.286 1.936 20 10 BDCDHM CO[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000752821003 585250572 /nfs/dbraw/zinc/25/05/72/585250572.db2.gz QWQPCTNVMSBMLK-MRVPVSSYSA-N -1 3 227.285 1.315 20 10 BDCDHM CC[C@H](NC(=O)c1cc([O-])cs1)[C@@H](C)O ZINC000839783352 585341973 /nfs/dbraw/zinc/34/19/73/585341973.db2.gz XDWINTFTYXVJGV-SVRRBLITSA-N -1 3 229.301 1.343 20 10 BDCDHM O=C(NC[C@H](O)C1CCC1)c1cc([O-])cs1 ZINC000839790261 585342372 /nfs/dbraw/zinc/34/23/72/585342372.db2.gz PQLJUKRMVLWSLP-VIFPVBQESA-N -1 3 241.312 1.345 20 10 BDCDHM C[C@]1(NC(=O)c2cc([O-])cs2)CCOC1 ZINC000765234080 585483022 /nfs/dbraw/zinc/48/30/22/585483022.db2.gz ILIZSIBBDNIYHL-JTQLQIEISA-N -1 3 227.285 1.363 20 10 BDCDHM CC(C)[C@@H](O)CNC(=O)c1cc([O-])cs1 ZINC000771051823 585588883 /nfs/dbraw/zinc/58/88/83/585588883.db2.gz BQMFTIFCMGTJCX-QMMMGPOBSA-N -1 3 229.301 1.200 20 10 BDCDHM CC[C@@H](C)[C@H](O)CNC(=O)c1cc([O-])cs1 ZINC000771063150 585589539 /nfs/dbraw/zinc/58/95/39/585589539.db2.gz DWGIYFSCZSKYSC-VXNVDRBHSA-N -1 3 243.328 1.591 20 10 BDCDHM CO[C@@H](C)COC(=O)c1cc([O-])cs1 ZINC000782333822 585815363 /nfs/dbraw/zinc/81/53/63/585815363.db2.gz AYIYBTJEAHRWNC-LURJTMIESA-N -1 3 216.258 1.645 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CC(F)(F)C1 ZINC000782851136 585824935 /nfs/dbraw/zinc/82/49/35/585824935.db2.gz IRAZGOOLYLTQAF-UHFFFAOYSA-N -1 3 219.212 1.545 20 10 BDCDHM O=C(NC[C@H]1CC[C@H](O)C1)c1cc([O-])cs1 ZINC000789918810 585952676 /nfs/dbraw/zinc/95/26/76/585952676.db2.gz VZCAUPSGDSYKIV-YUMQZZPRSA-N -1 3 241.312 1.345 20 10 BDCDHM Cc1ccc(C(=O)N2CC(C)C2)c([O-])c1O ZINC000801253833 586250097 /nfs/dbraw/zinc/25/00/97/586250097.db2.gz HGGBTYAGMVFRKY-UHFFFAOYSA-N -1 3 221.256 1.498 20 10 BDCDHM CO[C@@H](C)[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000812349774 586574651 /nfs/dbraw/zinc/57/46/51/586574651.db2.gz SNAYXMMVAOVXOZ-RQJHMYQMSA-N -1 3 229.301 1.607 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC(C2CC2)C1 ZINC000812650158 586581415 /nfs/dbraw/zinc/58/14/15/586581415.db2.gz BTSDXECEGZUYNV-UHFFFAOYSA-N -1 3 233.267 1.580 20 10 BDCDHM CCN(C[C@H](C)OC)C(=O)c1cc([O-])cs1 ZINC000812778146 586584178 /nfs/dbraw/zinc/58/41/78/586584178.db2.gz HAFKFLDLQFREMO-QMMMGPOBSA-N -1 3 243.328 1.951 20 10 BDCDHM Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc1C ZINC000818849336 586914290 /nfs/dbraw/zinc/91/42/90/586914290.db2.gz VYCYASDKZAHDOB-LLVKDONJSA-N -1 3 249.310 1.916 20 10 BDCDHM Cc1cc([O-])c(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1C ZINC000818849336 586914293 /nfs/dbraw/zinc/91/42/93/586914293.db2.gz VYCYASDKZAHDOB-LLVKDONJSA-N -1 3 249.310 1.916 20 10 BDCDHM COc1cccc([O-])c1C[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000820870937 587078456 /nfs/dbraw/zinc/07/84/56/587078456.db2.gz JIXCSWWFPLQPFI-QMMMGPOBSA-N -1 3 239.271 1.306 20 10 BDCDHM COc1cccc([O-])c1C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000820870937 587078458 /nfs/dbraw/zinc/07/84/58/587078458.db2.gz JIXCSWWFPLQPFI-QMMMGPOBSA-N -1 3 239.271 1.306 20 10 BDCDHM [O-]c1ccc(F)cc1CN(C1CC1)C1COC1 ZINC000824471429 587271472 /nfs/dbraw/zinc/27/14/72/587271472.db2.gz BJCNKTQNNBTLKL-UHFFFAOYSA-N -1 3 237.274 1.895 20 10 BDCDHM CC[C@H](C[C@@H](C)O)NC(=O)c1cc([O-])cs1 ZINC000831318333 587598239 /nfs/dbraw/zinc/59/82/39/587598239.db2.gz MQIUPETZQKMWCX-HTQZYQBOSA-N -1 3 243.328 1.733 20 10 BDCDHM CCC[C@@](C)(CO)NC(=O)c1cc([O-])cs1 ZINC000831816935 587632944 /nfs/dbraw/zinc/63/29/44/587632944.db2.gz LYWHQEHQPFDVTA-NSHDSACASA-N -1 3 243.328 1.735 20 10 BDCDHM CC[C@](C)(CNC(=O)c1cc([O-])cs1)OC ZINC000833798447 587732361 /nfs/dbraw/zinc/73/23/61/587732361.db2.gz AHYFDKBNYOBAGP-LLVKDONJSA-N -1 3 243.328 1.999 20 10 BDCDHM O=C(O[C@H]1CCOC1)c1cc([O-])cs1 ZINC000837512731 587879226 /nfs/dbraw/zinc/87/92/26/587879226.db2.gz CQIGFOCMFVPVSW-ZETCQYMHSA-N -1 3 214.242 1.399 20 10 BDCDHM C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1[O-] ZINC000844933867 588219634 /nfs/dbraw/zinc/21/96/34/588219634.db2.gz ISVGNZWFGIJSQH-MWLCHTKSSA-N -1 3 235.283 1.830 20 10 BDCDHM C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1[O-] ZINC000844933867 588219635 /nfs/dbraw/zinc/21/96/35/588219635.db2.gz ISVGNZWFGIJSQH-MWLCHTKSSA-N -1 3 235.283 1.830 20 10 BDCDHM C[C@@H](O)CN(C(=O)c1cc([O-])cs1)C1CC1 ZINC000848391582 588376109 /nfs/dbraw/zinc/37/61/09/588376109.db2.gz BFOVGBGTMGELEZ-SSDOTTSWSA-N -1 3 241.312 1.439 20 10 BDCDHM CC(C)[C@H](O)COC(=O)c1cc([O-])cs1 ZINC000849728462 588490714 /nfs/dbraw/zinc/49/07/14/588490714.db2.gz SMQLDQONRKGAAR-MRVPVSSYSA-N -1 3 230.285 1.627 20 10 BDCDHM CC(C)[C@@H]([NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000013905691 589190804 /nfs/dbraw/zinc/19/08/04/589190804.db2.gz CNFJXXOHJSQWDI-LLVKDONJSA-N -1 3 223.272 1.591 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CC[C@H]1C(F)F ZINC000868605084 589567227 /nfs/dbraw/zinc/56/72/27/589567227.db2.gz ATUAKXYDPQZBAS-LURJTMIESA-N -1 3 233.239 1.933 20 10 BDCDHM Cc1nonc1CN[C@@H]1CCc2cccc([O-])c21 ZINC000872135298 589878262 /nfs/dbraw/zinc/87/82/62/589878262.db2.gz DYSWCPKLFRMTQJ-SNVBAGLBSA-N -1 3 245.282 1.861 20 10 BDCDHM Cc1ccc([O-])c(C[NH2+][C@H]2C[C@H](C(=O)[O-])C2)c1 ZINC000874053132 590087870 /nfs/dbraw/zinc/08/78/70/590087870.db2.gz BOTAWJIZEFLHNX-HOMQSWHASA-N -1 3 235.283 1.653 20 10 BDCDHM CN(CCO)Cc1ccc(F)c(F)c1[O-] ZINC000876525895 590208341 /nfs/dbraw/zinc/20/83/41/590208341.db2.gz PVTOQOSBDBEMND-UHFFFAOYSA-N -1 3 217.215 1.095 20 10 BDCDHM CN(Cc1ccoc1)C(=O)c1cccc(O)c1[O-] ZINC000126283232 590269094 /nfs/dbraw/zinc/26/90/94/590269094.db2.gz CJRSBZPYHZFBRD-UHFFFAOYSA-N -1 3 247.250 1.963 20 10 BDCDHM C[C@H]1C[C@H](C)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000126568016 590351011 /nfs/dbraw/zinc/35/10/11/590351011.db2.gz FSAXBSXBFGIVAZ-IUCAKERBSA-N -1 3 235.283 1.968 20 10 BDCDHM Cc1n[nH]cc1CN1Cc2cccc([O-])c2C1 ZINC000877703318 590395559 /nfs/dbraw/zinc/39/55/59/590395559.db2.gz BFTURNFFVSOOEV-UHFFFAOYSA-N -1 3 229.283 1.940 20 10 BDCDHM COC[C@H](CO)N[C@@H](C)c1c([O-])cccc1F ZINC000886604922 592274802 /nfs/dbraw/zinc/27/48/02/592274802.db2.gz GELUGBFLSDQFBL-IUCAKERBSA-N -1 3 243.278 1.189 20 10 BDCDHM CN(CC[NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000739698302 602294108 /nfs/dbraw/zinc/29/41/08/602294108.db2.gz JCTCMISYBNHGFI-UHFFFAOYSA-N -1 3 224.260 1.092 20 10 BDCDHM O=C(NC1CC=CC1)c1cccc(O)c1[O-] ZINC000163278464 633054037 /nfs/dbraw/zinc/05/40/37/633054037.db2.gz ORSWKGIISMZGGY-UHFFFAOYSA-N -1 3 219.240 1.546 20 10 BDCDHM CC(C)CNC(=O)NCc1c([O-])cccc1F ZINC000905149580 637658620 /nfs/dbraw/zinc/65/86/20/637658620.db2.gz VMXQHZMHQDKMKD-UHFFFAOYSA-N -1 3 240.278 1.987 20 10 BDCDHM O=C([O-])C[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC000083406072 643447005 /nfs/dbraw/zinc/44/70/05/643447005.db2.gz VMKZLSSXSHGYRQ-UHFFFAOYSA-N -1 3 221.256 1.441 20 10 BDCDHM O=C([O-])C[N@H+](Cc1ccccc1[O-])C1CC1 ZINC000083406072 643447002 /nfs/dbraw/zinc/44/70/02/643447002.db2.gz VMKZLSSXSHGYRQ-UHFFFAOYSA-N -1 3 221.256 1.441 20 10 BDCDHM CCCONC(=O)NCc1c([O-])cccc1F ZINC000923038969 644245277 /nfs/dbraw/zinc/24/52/77/644245277.db2.gz IYXRBZLVIHNQPC-UHFFFAOYSA-N -1 3 242.250 1.672 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[C@@H]2C1 ZINC000380361221 712897193 /nfs/dbraw/zinc/89/71/93/712897193.db2.gz ARFHIPHEXOEVEX-OCAPTIKFSA-N -1 3 219.240 1.190 20 10 BDCDHM CC(C)(CC[NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000395586610 711213516 /nfs/dbraw/zinc/21/35/16/711213516.db2.gz DSQLPRNSHILUAG-UHFFFAOYSA-N -1 3 237.299 1.983 20 10 BDCDHM CO[C@@H](C)CC(=O)NCc1c([O-])cccc1F ZINC000928711571 711786157 /nfs/dbraw/zinc/78/61/57/711786157.db2.gz JAFIXKUBDUKBCS-QMMMGPOBSA-N -1 3 241.262 1.573 20 10 BDCDHM O=C(N[C@@H]1CC12CCC2)c1cccc(O)c1[O-] ZINC000721151598 712892722 /nfs/dbraw/zinc/89/27/22/712892722.db2.gz UWVKORMRFKJCLH-SNVBAGLBSA-N -1 3 233.267 1.770 20 10 BDCDHM CCc1nnc(-c2ccc(O)c(O)c2[O-])o1 ZINC001255061492 969867751 /nfs/dbraw/zinc/86/77/51/969867751.db2.gz PLFPSTFQIIKAPZ-UHFFFAOYSA-N -1 3 222.200 1.416 20 10 BDCDHM C[C@]1(O)CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001334350300 976461557 /nfs/dbraw/zinc/46/15/57/976461557.db2.gz RWHBKUYTKYUIOY-LBPRGKRZSA-N -1 3 243.253 1.627 20 10 BDCDHM C[C@@H]1C[C@H](O)CN1Cc1cc(F)c(F)cc1[O-] ZINC001142508992 964345990 /nfs/dbraw/zinc/34/59/90/964345990.db2.gz SCCOWNDSTJFFEH-APPZFPTMSA-N -1 3 243.253 1.626 20 10 BDCDHM Cc1cc([O-])c(CN2CC(=O)C2)cc1Cl ZINC001231871129 977778110 /nfs/dbraw/zinc/77/81/10/977778110.db2.gz ZNRPBVQXDPMYCJ-UHFFFAOYSA-N -1 3 225.675 1.739 20 10 BDCDHM Cc1ccc(C[NH2+][C@H](C(=O)[O-])C2CC2)c([O-])c1 ZINC001600418207 978692421 /nfs/dbraw/zinc/69/24/21/978692421.db2.gz YLJJBHVOZHZUFH-LBPRGKRZSA-N -1 3 235.283 1.653 20 10 BDCDHM Cc1ccc(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)c([O-])c1 ZINC001605273265 979848490 /nfs/dbraw/zinc/84/84/90/979848490.db2.gz STUFFWKZVKMMSM-AWEZNQCLSA-N -1 3 249.310 1.997 20 10 BDCDHM Cc1ccc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c([O-])c1 ZINC001605273265 979848493 /nfs/dbraw/zinc/84/84/93/979848493.db2.gz STUFFWKZVKMMSM-AWEZNQCLSA-N -1 3 249.310 1.997 20 10 BDCDHM Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])c([O-])c1 ZINC001607780375 980128933 /nfs/dbraw/zinc/12/89/33/980128933.db2.gz BJSSWTSRALGPAZ-NSHDSACASA-N -1 3 235.283 1.750 20 10 BDCDHM Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])c([O-])c1 ZINC001607780375 980128935 /nfs/dbraw/zinc/12/89/35/980128935.db2.gz BJSSWTSRALGPAZ-NSHDSACASA-N -1 3 235.283 1.750 20 10 BDCDHM CC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590745061 982979576 /nfs/dbraw/zinc/97/95/76/982979576.db2.gz AMVWOLGALUIVJT-SSDOTTSWSA-N -1 3 233.275 1.243 20 10 BDCDHM CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001596491180 984232629 /nfs/dbraw/zinc/23/26/29/984232629.db2.gz ORWFOEGOAOFRHC-ZETCQYMHSA-N -1 3 209.245 1.761 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)C1CC1 ZINC000928709932 984902310 /nfs/dbraw/zinc/90/23/10/984902310.db2.gz OCCWIPWMRPCMCH-UHFFFAOYSA-N -1 3 209.220 1.558 20 10 BDCDHM CN(Cc1ccncn1)Cc1cccc(F)c1[O-] ZINC001138131085 990885709 /nfs/dbraw/zinc/88/57/09/990885709.db2.gz PBAXBSPFBFERGU-UHFFFAOYSA-N -1 3 247.273 1.953 20 10 BDCDHM [O-]c1c(F)ccc(F)c1CN1CCC[C@H]1CO ZINC001139680919 991314631 /nfs/dbraw/zinc/31/46/31/991314631.db2.gz FPBLGVPPBKLKOZ-QMMMGPOBSA-N -1 3 243.253 1.627 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CC(F)(F)C1 ZINC001140057074 991511557 /nfs/dbraw/zinc/51/15/57/991511557.db2.gz AYTBYSNEFWJHQL-UHFFFAOYSA-N -1 3 217.190 1.982 20 10 BDCDHM [O-]c1cccc(Cl)c1CN1CC2(COC2)C1 ZINC001140337882 991609545 /nfs/dbraw/zinc/60/95/45/991609545.db2.gz LHLVINDUEFKTSC-UHFFFAOYSA-N -1 3 239.702 1.878 20 10 BDCDHM CC[C@@H]1C[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000388027996 993725775 /nfs/dbraw/zinc/72/57/75/993725775.db2.gz GDPULANTKYQJLX-BDAKNGLRSA-N -1 3 235.283 1.874 20 10 BDCDHM C[C@@H](CO)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593353492 994980776 /nfs/dbraw/zinc/98/07/76/994980776.db2.gz YEBWLOHBIWUVIV-YUMQZZPRSA-N -1 3 239.271 1.122 20 10 BDCDHM COC(=O)C(C)(C)NCc1ccccc1[O-] ZINC000037085328 343333366 /nfs/dbraw/zinc/33/33/66/343333366.db2.gz AFRUNIBFTVZMQW-UHFFFAOYSA-N -1 3 223.272 1.433 20 10 BDCDHM [O-]c1ccccc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000132748929 358735000 /nfs/dbraw/zinc/73/50/00/358735000.db2.gz KNNNDSALWOAYJN-TXEJJXNPSA-N -1 3 219.284 1.755 20 10 BDCDHM [O-]c1c(F)cccc1CN(CCO)C1CC1 ZINC000272211428 183069768 /nfs/dbraw/zinc/06/97/68/183069768.db2.gz AMFFZKQGBKQRDD-UHFFFAOYSA-N -1 3 225.263 1.488 20 10 BDCDHM C[C@@H](NCC(F)(F)CO)c1cc(F)ccc1[O-] ZINC000184712913 384639599 /nfs/dbraw/zinc/63/95/99/384639599.db2.gz JMPURMLBWYHDOE-SSDOTTSWSA-N -1 3 249.232 1.810 20 10 BDCDHM CCN(CC(N)=O)Cc1cccc(Cl)c1[O-] ZINC000188466456 385056662 /nfs/dbraw/zinc/05/66/62/385056662.db2.gz BUCNDRWIEYPEQP-UHFFFAOYSA-N -1 3 242.706 1.353 20 10 BDCDHM Cc1ccc(C(=O)NCC(C)C)c([O-])c1O ZINC000177661133 385272088 /nfs/dbraw/zinc/27/20/88/385272088.db2.gz TXSHTYFPBFVFNF-UHFFFAOYSA-N -1 3 223.272 1.792 20 10 BDCDHM COC(=O)[C@H](C)NCc1cc(F)ccc1[O-] ZINC000234539447 386077617 /nfs/dbraw/zinc/07/76/17/386077617.db2.gz ZNWUWPMQVKAEPN-ZETCQYMHSA-N -1 3 227.235 1.182 20 10 BDCDHM CC[C@@H]1C[C@H]1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000281752076 171141271 /nfs/dbraw/zinc/14/12/71/171141271.db2.gz HYTPXFRNEIKAFX-PSASIEDQSA-N -1 3 235.283 1.935 20 10 BDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H]1C ZINC000126472212 176261898 /nfs/dbraw/zinc/26/18/98/176261898.db2.gz URBKVWXSEISMQM-RKDXNWHRSA-N -1 3 235.283 1.826 20 10 BDCDHM C[C@@H]1CN(Cc2ccccc2[O-])CC(=O)N1C ZINC000282425740 176307103 /nfs/dbraw/zinc/30/71/03/176307103.db2.gz FASPMVAGERIPEV-SNVBAGLBSA-N -1 3 234.299 1.055 20 10 BDCDHM C[C@@H]1COCCN(Cc2cccc(F)c2[O-])C1 ZINC000369451657 176333301 /nfs/dbraw/zinc/33/33/01/176333301.db2.gz KUDIEIPZTADOFU-JTQLQIEISA-N -1 3 239.290 2.000 20 10 BDCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H]1C ZINC000126471973 177228118 /nfs/dbraw/zinc/22/81/18/177228118.db2.gz URBKVWXSEISMQM-IUCAKERBSA-N -1 3 235.283 1.826 20 10 BDCDHM C[C@H]1CN(Cc2ccccc2[O-])CC(=O)N1C ZINC000282425734 177266049 /nfs/dbraw/zinc/26/60/49/177266049.db2.gz FASPMVAGERIPEV-JTQLQIEISA-N -1 3 234.299 1.055 20 10 BDCDHM C[C@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000226562493 177292237 /nfs/dbraw/zinc/29/22/37/177292237.db2.gz ALVKSOUAGJDYKZ-VIFPVBQESA-N -1 3 225.263 1.752 20 10 BDCDHM CC[C@](C)(CO)NC(=O)c1cc([O-])cs1 ZINC000831263117 587594219 /nfs/dbraw/zinc/59/42/19/587594219.db2.gz LWMNUORXSZRZSE-SNVBAGLBSA-N -1 3 229.301 1.345 20 10 BDCDHM O=C(NCCN1CCCC1)c1cc([O-])cs1 ZINC000854299119 588782945 /nfs/dbraw/zinc/78/29/45/588782945.db2.gz LOFAKDMWBUACLL-UHFFFAOYSA-N -1 3 240.328 1.279 20 10 BDCDHM O=C(NCC1CSC1)c1cc([O-])cs1 ZINC000854871673 588814892 /nfs/dbraw/zinc/81/48/92/588814892.db2.gz DATBTLFOFHSAQF-UHFFFAOYSA-N -1 3 229.326 1.547 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]2C[C@H]21 ZINC000804300711 583308661 /nfs/dbraw/zinc/30/86/61/583308661.db2.gz ZJEZVANOECOHDL-WCBMZHEXSA-N -1 3 233.267 1.722 20 10 BDCDHM [O-]c1cccc2c1CN(Cc1cc[nH]n1)C2 ZINC000877703433 583344086 /nfs/dbraw/zinc/34/40/86/583344086.db2.gz JFNBCVWYYSGMKI-UHFFFAOYSA-N -1 3 215.256 1.631 20 10 BDCDHM C[C@H]1C[C@@H](O)CN1Cc1cc(F)cc(F)c1[O-] ZINC000894539842 583480969 /nfs/dbraw/zinc/48/09/69/583480969.db2.gz XKDLVCKCFOPKHH-OIBJUYFYSA-N -1 3 243.253 1.626 20 10 BDCDHM C[C@@H]1[C@H](O)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894916309 583555802 /nfs/dbraw/zinc/55/58/02/583555802.db2.gz DTCBEIUXVCOTDT-RDDDGLTNSA-N -1 3 243.253 1.626 20 10 BDCDHM [O-]c1cccc2c1CN(Cc1c[nH]cn1)C2 ZINC000895450463 583675763 /nfs/dbraw/zinc/67/57/63/583675763.db2.gz ZYVWUGFIXIYSRX-UHFFFAOYSA-N -1 3 215.256 1.631 20 10 BDCDHM O=C(N[C@@H]1Cc2cncn2C1)c1cc([O-])cs1 ZINC000857886178 588921301 /nfs/dbraw/zinc/92/13/01/588921301.db2.gz UYRPFAHIPDFBCO-SSDOTTSWSA-N -1 3 249.295 1.005 20 10 BDCDHM Cn1ccsc1=NC(=O)c1cc([O-])cs1 ZINC000731867543 584930696 /nfs/dbraw/zinc/93/06/96/584930696.db2.gz MBUIFMDSIOFLCT-UHFFFAOYSA-N -1 3 240.309 1.595 20 10 BDCDHM O=C(N[C@H]1CCCOC1)c1cc([O-])cs1 ZINC000732288829 584936015 /nfs/dbraw/zinc/93/60/15/584936015.db2.gz GTDQMKALSWOHSP-ZETCQYMHSA-N -1 3 227.285 1.363 20 10 BDCDHM CON(C)CCCNC(=O)c1cc([O-])cs1 ZINC000824572955 585028845 /nfs/dbraw/zinc/02/88/45/585028845.db2.gz ABQPQESNKIKLNO-UHFFFAOYSA-N -1 3 244.316 1.067 20 10 BDCDHM CC[C@@H](COC)NC(=O)c1cc([O-])cs1 ZINC000738550280 585046766 /nfs/dbraw/zinc/04/67/66/585046766.db2.gz ZPJBFYTWAWLJTL-ZETCQYMHSA-N -1 3 229.301 1.609 20 10 BDCDHM CC1(CO)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000839145086 585092020 /nfs/dbraw/zinc/09/20/20/585092020.db2.gz HRBPAVMPJSVUFB-UHFFFAOYSA-N -1 3 241.718 1.860 20 10 BDCDHM CC1(CO)CN(Cc2cccc(F)c2[O-])C1 ZINC000839145654 585092427 /nfs/dbraw/zinc/09/24/27/585092427.db2.gz OUUSKGZZLCCEGD-UHFFFAOYSA-N -1 3 225.263 1.346 20 10 BDCDHM C[C@H](NC(=O)c1cc([O-])cs1)[C@H]1CCOC1 ZINC000743670885 585138629 /nfs/dbraw/zinc/13/86/29/585138629.db2.gz VXHILZCFHYMAMO-YUMQZZPRSA-N -1 3 241.312 1.609 20 10 BDCDHM COC[C@H](NC(=O)c1cc([O-])cs1)C1CC1 ZINC000750539779 585217234 /nfs/dbraw/zinc/21/72/34/585217234.db2.gz VDOVGGQDEQECND-VIFPVBQESA-N -1 3 241.312 1.609 20 10 BDCDHM C[C@H](CO)[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000757909155 585346691 /nfs/dbraw/zinc/34/66/91/585346691.db2.gz SFRMPHVDTJQVTP-RQJHMYQMSA-N -1 3 229.301 1.200 20 10 BDCDHM C[C@H]1CC[C@@H](CNC(=O)c2cc([O-])cs2)O1 ZINC000839791596 585371555 /nfs/dbraw/zinc/37/15/55/585371555.db2.gz DEHAPOMTVKVZJX-CBAPKCEASA-N -1 3 241.312 1.751 20 10 BDCDHM O=C(NN1CCCCC1)c1cc([O-])cs1 ZINC000765239546 585483106 /nfs/dbraw/zinc/48/31/06/585483106.db2.gz HIWZQGKAEJULHB-UHFFFAOYSA-N -1 3 226.301 1.584 20 10 BDCDHM Cc1ocnc1CNC(=O)c1cc([O-])cs1 ZINC000765340036 585484046 /nfs/dbraw/zinc/48/40/46/585484046.db2.gz IPIYBFPFADWKSO-UHFFFAOYSA-N -1 3 238.268 1.680 20 10 BDCDHM CN1CN(Cc2cc(Cl)ccc2[O-])CC1=O ZINC000765633470 585491776 /nfs/dbraw/zinc/49/17/76/585491776.db2.gz CIRXLFIIQRJTAP-UHFFFAOYSA-N -1 3 240.690 1.277 20 10 BDCDHM COCCOCCOC(=O)c1cc([O-])cs1 ZINC000768953185 585546792 /nfs/dbraw/zinc/54/67/92/585546792.db2.gz KHWPYMFQNVZIMC-UHFFFAOYSA-N -1 3 246.284 1.274 20 10 BDCDHM COc1cccc([O-])c1CN(C)Cc1cn[nH]c1 ZINC000769423665 585556067 /nfs/dbraw/zinc/55/60/67/585556067.db2.gz GEVLWGZKKSQKKX-UHFFFAOYSA-N -1 3 247.298 1.756 20 10 BDCDHM CC(C)(CO)CNC(=O)c1cc([O-])cs1 ZINC000771686468 585599040 /nfs/dbraw/zinc/59/90/40/585599040.db2.gz ACMWSTLTWYSQNE-UHFFFAOYSA-N -1 3 229.301 1.202 20 10 BDCDHM CC(C)C[C@H](CO)NC(=O)c1cc([O-])cs1 ZINC000782122587 585807796 /nfs/dbraw/zinc/80/77/96/585807796.db2.gz ARUIYYFUJNULOY-MRVPVSSYSA-N -1 3 243.328 1.591 20 10 BDCDHM C[C@H]1CSC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000807692529 586448252 /nfs/dbraw/zinc/44/82/52/586448252.db2.gz ZSIGOEPJJIKWNZ-POYBYMJQSA-N -1 3 243.353 1.935 20 10 BDCDHM CO[C@@H](C)CN(C)C(=O)c1cc([O-])cs1 ZINC000807755508 586448933 /nfs/dbraw/zinc/44/89/33/586448933.db2.gz ORKMUGDMADNPDC-ZETCQYMHSA-N -1 3 229.301 1.561 20 10 BDCDHM Cc1nonc1CNCc1cc(F)ccc1[O-] ZINC000809745436 586516262 /nfs/dbraw/zinc/51/62/62/586516262.db2.gz TYRAMVXJWNFLSY-UHFFFAOYSA-N -1 3 237.234 1.513 20 10 BDCDHM O=C(NOC/C=C/Cl)c1cccc(O)c1[O-] ZINC000812407838 586576684 /nfs/dbraw/zinc/57/66/84/586576684.db2.gz OMQJOHQBYDLLKY-GORDUTHDSA-N -1 3 243.646 1.512 20 10 BDCDHM CC(C)(C[NH2+]Cc1ccccc1[O-])NC(=O)[O-] ZINC000824005955 587248260 /nfs/dbraw/zinc/24/82/60/587248260.db2.gz PGMSTLYHDXWFMN-UHFFFAOYSA-N -1 3 238.287 1.528 20 10 BDCDHM O=C(NC1(CCO)CC1)c1cc([O-])cs1 ZINC000832831073 587692682 /nfs/dbraw/zinc/69/26/82/587692682.db2.gz PDDHNRVMHCBTHX-UHFFFAOYSA-N -1 3 227.285 1.099 20 10 BDCDHM CC(C)(CO)CCNC(=O)c1cc([O-])cs1 ZINC000833634684 587723356 /nfs/dbraw/zinc/72/33/56/587723356.db2.gz XQTTYLLKGHEWNA-UHFFFAOYSA-N -1 3 243.328 1.592 20 10 BDCDHM C[C@@H](CCCCO)NC(=O)c1cc([O-])cs1 ZINC000833696485 587728295 /nfs/dbraw/zinc/72/82/95/587728295.db2.gz URIBLFBIPMIOFY-QMMMGPOBSA-N -1 3 243.328 1.735 20 10 BDCDHM CC[C@@](C)(CNC(=O)c1cc([O-])cs1)OC ZINC000833798448 587732427 /nfs/dbraw/zinc/73/24/27/587732427.db2.gz AHYFDKBNYOBAGP-NSHDSACASA-N -1 3 243.328 1.999 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CCO[C@@H](CF)C1 ZINC000840955752 587931913 /nfs/dbraw/zinc/93/19/13/587931913.db2.gz YOVQOIQLSBYYLX-NSHDSACASA-N -1 3 243.253 1.702 20 10 BDCDHM C[C@@H]1C[C@H](NC(=O)c2cc([O-])cs2)CO1 ZINC000844152996 588171224 /nfs/dbraw/zinc/17/12/24/588171224.db2.gz JFKIKWBZGZUTLI-RQJHMYQMSA-N -1 3 227.285 1.361 20 10 BDCDHM CC(C)(F)CNC(=O)c1cccc(O)c1[O-] ZINC000869624190 589617584 /nfs/dbraw/zinc/61/75/84/589617584.db2.gz SWYMCPYMCOKMKB-UHFFFAOYSA-N -1 3 227.235 1.576 20 10 BDCDHM Cc1ccc(CN2CCS(=O)CC2)c([O-])c1 ZINC000876693750 590230898 /nfs/dbraw/zinc/23/08/98/590230898.db2.gz IVQOGIQLALYCLZ-UHFFFAOYSA-N -1 3 239.340 1.265 20 10 BDCDHM O=C(NCc1ccon1)c1cccc(O)c1[O-] ZINC000126494422 590320602 /nfs/dbraw/zinc/32/06/02/590320602.db2.gz OGYMUIMQGWOYSK-UHFFFAOYSA-N -1 3 234.211 1.016 20 10 BDCDHM COC(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000126541456 590334954 /nfs/dbraw/zinc/33/49/54/590334954.db2.gz QEHXOGFXTSSQFP-UHFFFAOYSA-N -1 3 239.271 1.253 20 10 BDCDHM COC(=O)[C@@H](NCc1ccc(C)cc1[O-])C1CC1 ZINC000877471476 590335130 /nfs/dbraw/zinc/33/51/30/590335130.db2.gz TUPORNNIZYKZNN-ZDUSSCGKSA-N -1 3 249.310 1.742 20 10 BDCDHM Cc1ccc(CN2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC000877486678 590339189 /nfs/dbraw/zinc/33/91/89/590339189.db2.gz PWTCOPIGAJCGJT-UHFFFAOYSA-N -1 3 246.310 1.465 20 10 BDCDHM COC(=O)[C@@H](C)NCc1c(C)cccc1[O-] ZINC000877492405 590340088 /nfs/dbraw/zinc/34/00/88/590340088.db2.gz JUGWXXDXRPFSCF-SECBINFHSA-N -1 3 223.272 1.352 20 10 BDCDHM C[C@@H]1C[C@H](C)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000126567793 590350587 /nfs/dbraw/zinc/35/05/87/590350587.db2.gz FSAXBSXBFGIVAZ-BDAKNGLRSA-N -1 3 235.283 1.968 20 10 BDCDHM COC1CN(Cc2ccc(C)cc2[O-])C1 ZINC000877580709 590365598 /nfs/dbraw/zinc/36/55/98/590365598.db2.gz XJBKPRQALWKQAH-UHFFFAOYSA-N -1 3 207.273 1.531 20 10 BDCDHM Cc1cc([O-])c(CN2CC(C)(O)C2)cc1Cl ZINC000877580689 590366132 /nfs/dbraw/zinc/36/61/32/590366132.db2.gz GWRDRCLEOYBTSX-UHFFFAOYSA-N -1 3 241.718 1.921 20 10 BDCDHM Cc1cccc([O-])c1CN1CCn2nncc2C1 ZINC000877616731 590374098 /nfs/dbraw/zinc/37/40/98/590374098.db2.gz GWVDDHLDSNPHJB-UHFFFAOYSA-N -1 3 244.298 1.308 20 10 BDCDHM Cc1ncc(CN2Cc3cccc([O-])c3C2)n1C ZINC000877703007 590395386 /nfs/dbraw/zinc/39/53/86/590395386.db2.gz OEOAHICYTBDGCN-UHFFFAOYSA-N -1 3 243.310 1.950 20 10 BDCDHM COCc1cc(CNCc2ccccc2[O-])no1 ZINC000882955973 591483577 /nfs/dbraw/zinc/48/35/77/591483577.db2.gz WSMRNIFDLCCHTQ-UHFFFAOYSA-N -1 3 248.282 1.816 20 10 BDCDHM O=C(NCc1ccccc1O)c1cncc([O-])c1 ZINC000134500550 591932138 /nfs/dbraw/zinc/93/21/38/591932138.db2.gz RWTUACKCVJFMQD-UHFFFAOYSA-N -1 3 244.250 1.423 20 10 BDCDHM CN(Cc1ccccc1[O-])Cc1nccc(N)n1 ZINC000135187012 591994650 /nfs/dbraw/zinc/99/46/50/591994650.db2.gz KHTNRNKUJJYTGP-UHFFFAOYSA-N -1 3 244.298 1.396 20 10 BDCDHM O=C([O-])N1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000740505202 602879836 /nfs/dbraw/zinc/87/98/36/602879836.db2.gz KNWBRMDFMYSUSC-SNVBAGLBSA-N -1 3 236.271 1.234 20 10 BDCDHM C[N@H+](CCC(=O)[O-])Cc1ccccc1[O-] ZINC000083410371 600314033 /nfs/dbraw/zinc/31/40/33/600314033.db2.gz RWTJIBCLZZAASL-UHFFFAOYSA-N -1 3 209.245 1.299 20 10 BDCDHM C[N@@H+](CCC(=O)[O-])Cc1ccccc1[O-] ZINC000083410371 600314035 /nfs/dbraw/zinc/31/40/35/600314035.db2.gz RWTJIBCLZZAASL-UHFFFAOYSA-N -1 3 209.245 1.299 20 10 BDCDHM CC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000233879725 635546130 /nfs/dbraw/zinc/54/61/30/635546130.db2.gz DQIJKWUQWOYJOF-SNVBAGLBSA-N -1 3 241.262 1.826 20 10 BDCDHM CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000233879725 635546135 /nfs/dbraw/zinc/54/61/35/635546135.db2.gz DQIJKWUQWOYJOF-SNVBAGLBSA-N -1 3 241.262 1.826 20 10 BDCDHM Cn1cc(NCc2c([O-])cccc2Cl)nn1 ZINC000309520696 632467697 /nfs/dbraw/zinc/46/76/97/632467697.db2.gz UBACWXIILAZLKD-UHFFFAOYSA-N -1 3 238.678 1.786 20 10 BDCDHM Cc1ccc(C(=O)Nc2cn[nH]c2)c([O-])c1O ZINC000181960446 633931399 /nfs/dbraw/zinc/93/13/99/633931399.db2.gz VVGIQNQOUKRDMI-UHFFFAOYSA-N -1 3 233.227 1.382 20 10 BDCDHM O=C(NCCn1cccc1)c1cccc(O)c1[O-] ZINC000231296501 641157540 /nfs/dbraw/zinc/15/75/40/641157540.db2.gz RQFXVABPFASGNO-UHFFFAOYSA-N -1 3 246.266 1.329 20 10 BDCDHM O=C1OCC[C@@H]1NCc1cc(Cl)ccc1[O-] ZINC000019876509 643050342 /nfs/dbraw/zinc/05/03/42/643050342.db2.gz VNAQZTJQGILREH-VIFPVBQESA-N -1 3 241.674 1.451 20 10 BDCDHM CCO[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928712237 711786095 /nfs/dbraw/zinc/78/60/95/711786095.db2.gz PESBGTVGUFXILT-MRVPVSSYSA-N -1 3 241.262 1.573 20 10 BDCDHM C[C@@H]1CCN1C(=O)c1cccc(O)c1[O-] ZINC000706850854 712157176 /nfs/dbraw/zinc/15/71/76/712157176.db2.gz XJACNQPPXWFHAY-SSDOTTSWSA-N -1 3 207.229 1.332 20 10 BDCDHM C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1CC(=O)[O-] ZINC000722666698 710719669 /nfs/dbraw/zinc/71/96/69/710719669.db2.gz WNPNYCSBQCHPLF-ZYHUDNBSSA-N -1 3 249.310 1.935 20 10 BDCDHM C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1CC(=O)[O-] ZINC000722666698 710719670 /nfs/dbraw/zinc/71/96/70/710719670.db2.gz WNPNYCSBQCHPLF-ZYHUDNBSSA-N -1 3 249.310 1.935 20 10 BDCDHM CC(C)C[N@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC000086778134 712050765 /nfs/dbraw/zinc/05/07/65/712050765.db2.gz GJKJIROPCYAACO-UHFFFAOYSA-N -1 3 237.299 1.935 20 10 BDCDHM CC(C)C[N@@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC000086778134 712050766 /nfs/dbraw/zinc/05/07/66/712050766.db2.gz GJKJIROPCYAACO-UHFFFAOYSA-N -1 3 237.299 1.935 20 10 BDCDHM CO[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000703490954 712077115 /nfs/dbraw/zinc/07/71/15/712077115.db2.gz OAZCKIMLTCSWHP-SECBINFHSA-N -1 3 243.253 1.891 20 10 BDCDHM O=C(NCC1=CCCOC1)c1cccc(O)c1[O-] ZINC000380166956 712705045 /nfs/dbraw/zinc/70/50/45/712705045.db2.gz LZYWDYXDRJZFTP-UHFFFAOYSA-N -1 3 249.266 1.174 20 10 BDCDHM C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@H]1C(=O)[O-] ZINC000693464438 958473620 /nfs/dbraw/zinc/47/36/20/958473620.db2.gz MFWFYIDAWIIGJE-ZYHUDNBSSA-N -1 3 249.310 1.935 20 10 BDCDHM C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@H]1C(=O)[O-] ZINC000693464438 958473638 /nfs/dbraw/zinc/47/36/38/958473638.db2.gz MFWFYIDAWIIGJE-ZYHUDNBSSA-N -1 3 249.310 1.935 20 10 BDCDHM C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@@H]1C(=O)[O-] ZINC000693464436 958474459 /nfs/dbraw/zinc/47/44/59/958474459.db2.gz MFWFYIDAWIIGJE-PWSUYJOCSA-N -1 3 249.310 1.935 20 10 BDCDHM C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@@H]1C(=O)[O-] ZINC000693464436 958474465 /nfs/dbraw/zinc/47/44/65/958474465.db2.gz MFWFYIDAWIIGJE-PWSUYJOCSA-N -1 3 249.310 1.935 20 10 BDCDHM CC/C=C/NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590066 973870709 /nfs/dbraw/zinc/87/07/09/973870709.db2.gz WVFCBLLGQWWBMJ-ONEGZZNKSA-N -1 3 223.228 1.457 20 10 BDCDHM CN(Cc1c([O-])ccc(F)c1F)[C@@H]1CCOC1 ZINC001233334782 978566000 /nfs/dbraw/zinc/56/60/00/978566000.db2.gz SXCRNYFZNMGJNV-MRVPVSSYSA-N -1 3 243.253 1.891 20 10 BDCDHM Cc1cccc([O-])c1C[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC001600543484 978700936 /nfs/dbraw/zinc/70/09/36/978700936.db2.gz YWLCDJMWQJUTAY-MNOVXSKESA-N -1 3 249.310 1.996 20 10 BDCDHM Cc1cccc([O-])c1C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC001600543484 978700944 /nfs/dbraw/zinc/70/09/44/978700944.db2.gz YWLCDJMWQJUTAY-MNOVXSKESA-N -1 3 249.310 1.996 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)c1cocn1 ZINC001471975694 987154840 /nfs/dbraw/zinc/15/48/40/987154840.db2.gz DDIGDHDTLXTEDB-UHFFFAOYSA-N -1 3 236.202 1.449 20 10 BDCDHM C[C@H]1C[C@@H]1c1nnc(-c2cc(O)c([O-])c(O)c2)o1 ZINC001256626654 987251858 /nfs/dbraw/zinc/25/18/58/987251858.db2.gz SRQIHASFVOXPSA-FSPLSTOPSA-N -1 3 248.238 1.977 20 10 BDCDHM C[C@H]1[C@@H](O)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001474525827 987748543 /nfs/dbraw/zinc/74/85/43/987748543.db2.gz MKWDQEXIJRJTED-CPCISQLKSA-N -1 3 243.253 1.626 20 10 BDCDHM CN(Cc1c([O-])cccc1F)[C@H]1CCOC1 ZINC001137837815 990856108 /nfs/dbraw/zinc/85/61/08/990856108.db2.gz VRPYGDVNKUEGQV-VIFPVBQESA-N -1 3 225.263 1.752 20 10 BDCDHM [O-]c1cccc(F)c1CN1CC2(C1)CCOC2 ZINC001137832051 990858156 /nfs/dbraw/zinc/85/81/56/990858156.db2.gz YQCBGQZANJMNDF-UHFFFAOYSA-N -1 3 237.274 1.754 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CCC12COC2 ZINC001140055142 991510494 /nfs/dbraw/zinc/51/04/94/991510494.db2.gz LFFTXBQXKGHGLW-UHFFFAOYSA-N -1 3 223.247 1.506 20 10 BDCDHM CO[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@@H]1F ZINC001140057387 991512053 /nfs/dbraw/zinc/51/20/53/991512053.db2.gz DZTHJEULUJZQDT-CMPLNLGQSA-N -1 3 243.253 1.700 20 10 BDCDHM C[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1C[C@H]1C(=O)[O-] ZINC001593303163 994731503 /nfs/dbraw/zinc/73/15/03/994731503.db2.gz DGQRJLQGOSIMFY-INTQDDNPSA-N -1 3 235.283 1.591 20 10 BDCDHM Cn1cccc1C(=O)NCc1c([O-])cccc1F ZINC001303877820 995176532 /nfs/dbraw/zinc/17/65/32/995176532.db2.gz ILDAJJQQOYBSQO-UHFFFAOYSA-N -1 3 248.257 1.800 20 10 BDCDHM O=C(N[C@H]1CCCOC1)c1cccc(O)c1[O-] ZINC000126410638 182330963 /nfs/dbraw/zinc/33/09/63/182330963.db2.gz ZLLZGWLHQUGOES-QMMMGPOBSA-N -1 3 237.255 1.007 20 10 BDCDHM CCC[N@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC000083411607 169098310 /nfs/dbraw/zinc/09/83/10/169098310.db2.gz ZUQDTJFHAGNABL-UHFFFAOYSA-N -1 3 223.272 1.689 20 10 BDCDHM CCC[N@@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC000083411607 169098312 /nfs/dbraw/zinc/09/83/12/169098312.db2.gz ZUQDTJFHAGNABL-UHFFFAOYSA-N -1 3 223.272 1.689 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CC2(C1)CCOC2 ZINC000293933996 183275776 /nfs/dbraw/zinc/27/57/76/183275776.db2.gz HQVVTPIXNJVJTD-UHFFFAOYSA-N -1 3 237.274 1.754 20 10 BDCDHM [O-]c1cccc(Cl)c1CN1CC[C@@H](O)C1 ZINC000128086932 183292505 /nfs/dbraw/zinc/29/25/05/183292505.db2.gz GZXNRAUIGUCETK-MRVPVSSYSA-N -1 3 227.691 1.612 20 10 BDCDHM CN(Cc1c[nH]cn1)Cc1ccccc1[O-] ZINC000091956770 384157534 /nfs/dbraw/zinc/15/75/34/384157534.db2.gz LAGLCFQZLOZQCH-UHFFFAOYSA-N -1 3 217.272 1.747 20 10 BDCDHM CN(C)C(=O)CN(C)Cc1cccc(F)c1[O-] ZINC000160199154 384392424 /nfs/dbraw/zinc/39/24/24/384392424.db2.gz HKYISXOTSXWYFT-UHFFFAOYSA-N -1 3 240.278 1.051 20 10 BDCDHM CN(Cc1ccccc1[O-])C[C@H](O)C(F)(F)F ZINC000121592252 384427585 /nfs/dbraw/zinc/42/75/85/384427585.db2.gz QNVYIBMKUCFNBR-JTQLQIEISA-N -1 3 249.232 1.747 20 10 BDCDHM Cc1ccc([C@@H](C)NCc2ncn(C)n2)c([O-])c1 ZINC000186214535 384829081 /nfs/dbraw/zinc/82/90/81/384829081.db2.gz QFLBBUNOBHICRC-SNVBAGLBSA-N -1 3 246.314 1.680 20 10 BDCDHM CC(C)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000163269069 384783894 /nfs/dbraw/zinc/78/38/94/384783894.db2.gz DWMPDHZQUNXRNI-QMMMGPOBSA-N -1 3 223.272 1.872 20 10 BDCDHM Cc1noc(CN(C)Cc2ccccc2[O-])n1 ZINC000109769622 385189994 /nfs/dbraw/zinc/18/99/94/385189994.db2.gz GFZRXQJOTAJJQE-UHFFFAOYSA-N -1 3 233.271 1.716 20 10 BDCDHM CN(CC(=O)N(C)C1CC1)Cc1ccccc1[O-] ZINC000109771166 385190165 /nfs/dbraw/zinc/19/01/65/385190165.db2.gz SRDLSMMVPDLWNN-UHFFFAOYSA-N -1 3 248.326 1.445 20 10 BDCDHM CN(Cc1ccccc1[O-])[C@@H]1CCOC1=O ZINC000109769942 385191129 /nfs/dbraw/zinc/19/11/29/385191129.db2.gz GTTAUPDDVZXOKF-SNVBAGLBSA-N -1 3 221.256 1.140 20 10 BDCDHM C[C@@H](NCCF)c1cc([N+](=O)[O-])ccc1[O-] ZINC000280873980 385379545 /nfs/dbraw/zinc/37/95/45/385379545.db2.gz AJPZRDWMSPVGCV-SSDOTTSWSA-N -1 3 228.223 1.921 20 10 BDCDHM CC[C@H]1CCN1C(=O)c1cccc(O)c1[O-] ZINC000294230303 385826206 /nfs/dbraw/zinc/82/62/06/385826206.db2.gz ZGSWIKAZSWIYNM-QMMMGPOBSA-N -1 3 221.256 1.722 20 10 BDCDHM CN(CCn1cccn1)Cc1cccc(F)c1[O-] ZINC000272234558 385886712 /nfs/dbraw/zinc/88/67/12/385886712.db2.gz FJSIOTAYSDWDMF-UHFFFAOYSA-N -1 3 249.289 1.860 20 10 BDCDHM C[C@H](CO)N(C)Cc1c([O-])cccc1Cl ZINC000289394794 386295677 /nfs/dbraw/zinc/29/56/77/386295677.db2.gz FNMMVDJSSVRNAC-MRVPVSSYSA-N -1 3 229.707 1.858 20 10 BDCDHM CC(F)(F)CCNC(=O)c1cccc(O)c1[O-] ZINC000294097119 167817008 /nfs/dbraw/zinc/81/70/08/167817008.db2.gz BQGXZMOCTNOEBZ-UHFFFAOYSA-N -1 3 245.225 1.873 20 10 BDCDHM CCOCCCNC(=O)c1cccc(O)c1[O-] ZINC000126231148 170379875 /nfs/dbraw/zinc/37/98/75/170379875.db2.gz AKGRKUMPQJVARC-UHFFFAOYSA-N -1 3 239.271 1.254 20 10 BDCDHM CN(C)C(=O)CNCc1cccc(Cl)c1[O-] ZINC000163728765 172370328 /nfs/dbraw/zinc/37/03/28/172370328.db2.gz ZZQWRRGUOFLTCY-UHFFFAOYSA-N -1 3 242.706 1.223 20 10 BDCDHM C[C@@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000226562487 176337327 /nfs/dbraw/zinc/33/73/27/176337327.db2.gz ALVKSOUAGJDYKZ-SECBINFHSA-N -1 3 225.263 1.752 20 10 BDCDHM CN1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000854178291 588778169 /nfs/dbraw/zinc/77/81/69/588778169.db2.gz ZQSHQBMIIVZKBR-UHFFFAOYSA-N -1 3 240.328 1.231 20 10 BDCDHM Cc1ccc(C(=O)N[C@H]2C=CCC2)c([O-])c1O ZINC000855429854 588834671 /nfs/dbraw/zinc/83/46/71/588834671.db2.gz QETKSEMDHYSPPD-VIFPVBQESA-N -1 3 233.267 1.855 20 10 BDCDHM CN(CCCO)Cc1cc(F)cc(F)c1[O-] ZINC000894662109 583501533 /nfs/dbraw/zinc/50/15/33/583501533.db2.gz FLMWLQUDGWLKQT-UHFFFAOYSA-N -1 3 231.242 1.485 20 10 BDCDHM Cc1cccc([O-])c1CN[C@H]1CCOC1=O ZINC000895808659 583729483 /nfs/dbraw/zinc/72/94/83/583729483.db2.gz LUPQKRPPVJOPDA-JTQLQIEISA-N -1 3 221.256 1.106 20 10 BDCDHM COc1cccc([O-])c1CNCc1cn(C)cn1 ZINC000898045036 584073281 /nfs/dbraw/zinc/07/32/81/584073281.db2.gz GNEKFQMLVFPZCE-UHFFFAOYSA-N -1 3 247.298 1.424 20 10 BDCDHM [O-]c1c(Cl)cccc1CN[C@H]1CNOC1 ZINC000904425595 584881670 /nfs/dbraw/zinc/88/16/70/584881670.db2.gz SFXRBNXGCCHZAK-QMMMGPOBSA-N -1 3 228.679 1.039 20 10 BDCDHM Cc1nnc(CNC(=O)c2cc([O-])cs2)o1 ZINC000732273145 584935241 /nfs/dbraw/zinc/93/52/41/584935241.db2.gz YKXRJARBBYSYKN-UHFFFAOYSA-N -1 3 239.256 1.075 20 10 BDCDHM CC(C)(C)OCCNC(=O)c1cc([O-])cs1 ZINC000732279215 584935541 /nfs/dbraw/zinc/93/55/41/584935541.db2.gz KYBQOENKRKKSCR-UHFFFAOYSA-N -1 3 243.328 1.999 20 10 BDCDHM COC1CN(Cc2c([O-])cccc2Cl)C1 ZINC000839127630 585093257 /nfs/dbraw/zinc/09/32/57/585093257.db2.gz HFRGGUSVUNIDGT-UHFFFAOYSA-N -1 3 227.691 1.876 20 10 BDCDHM C[C@]1(O)CCN(C(=O)c2cc([O-])cs2)C1 ZINC000748508025 585193572 /nfs/dbraw/zinc/19/35/72/585193572.db2.gz KOPIZSFUANSILU-JTQLQIEISA-N -1 3 227.285 1.051 20 10 BDCDHM Cc1nnc(NC(=O)c2cc([O-])cs2)n1C ZINC000753508280 585260119 /nfs/dbraw/zinc/26/01/19/585260119.db2.gz VPNIAXXBQCUBCI-UHFFFAOYSA-N -1 3 238.272 1.143 20 10 BDCDHM O=C(N[C@H](CCO)C1CC1)c1cc([O-])cs1 ZINC000764707524 585471510 /nfs/dbraw/zinc/47/15/10/585471510.db2.gz WVIGQBUYDSSXIX-SECBINFHSA-N -1 3 241.312 1.345 20 10 BDCDHM Cc1noc(C)c1NC(=O)c1cccc(O)c1[O-] ZINC000790626724 585534445 /nfs/dbraw/zinc/53/44/45/585534445.db2.gz AAHMKCCFUQONCE-UHFFFAOYSA-N -1 3 248.238 1.955 20 10 BDCDHM C[C@H]1OCCN(C(=O)c2cc([O-])cs2)[C@H]1C ZINC000768258302 585534628 /nfs/dbraw/zinc/53/46/28/585534628.db2.gz OAUGQKPDNDRFKY-JGVFFNPUSA-N -1 3 241.312 1.703 20 10 BDCDHM C[C@H]1C[C@@H](NC(=O)c2cc([O-])cs2)CCO1 ZINC000770412788 585573911 /nfs/dbraw/zinc/57/39/11/585573911.db2.gz WIDSQZNTGGLKHJ-YUMQZZPRSA-N -1 3 241.312 1.751 20 10 BDCDHM O=C1CN(Cc2ccccc2[O-])CCN1C1CC1 ZINC000770510848 585575224 /nfs/dbraw/zinc/57/52/24/585575224.db2.gz RPSJNCAAXOOXDK-UHFFFAOYSA-N -1 3 246.310 1.199 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CCn2ncnc2C1 ZINC000770664035 585579409 /nfs/dbraw/zinc/57/94/09/585579409.db2.gz JSNNSQRUYVEVNY-UHFFFAOYSA-N -1 3 248.261 1.139 20 10 BDCDHM Cc1nonc1CN[C@H](C)c1ccccc1[O-] ZINC000775129615 585672507 /nfs/dbraw/zinc/67/25/07/585672507.db2.gz GZPQNUDSLYZVLJ-MRVPVSSYSA-N -1 3 233.271 1.934 20 10 BDCDHM CC(C)(O)CCNC(=O)c1cc([O-])cs1 ZINC000776286849 585694800 /nfs/dbraw/zinc/69/48/00/585694800.db2.gz DJQYMSRFZAGFCV-UHFFFAOYSA-N -1 3 229.301 1.345 20 10 BDCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)CC[C@H]1O ZINC000779462841 585755470 /nfs/dbraw/zinc/75/54/70/585755470.db2.gz VYIVQOKOTYPAQJ-IONNQARKSA-N -1 3 241.312 1.297 20 10 BDCDHM Cc1ccc(C(=O)Nc2cnoc2)c([O-])c1O ZINC000780919797 585786252 /nfs/dbraw/zinc/78/62/52/585786252.db2.gz KHRITJDZWZDYOP-UHFFFAOYSA-N -1 3 234.211 1.647 20 10 BDCDHM Cc1ccc(C(=O)NCc2c[nH]cn2)c([O-])c1O ZINC000780947529 585786984 /nfs/dbraw/zinc/78/69/84/585786984.db2.gz MGZVKGKOGIYSJW-UHFFFAOYSA-N -1 3 247.254 1.059 20 10 BDCDHM O=C(OCCC1OCCO1)c1cc([O-])cs1 ZINC000781179107 585792190 /nfs/dbraw/zinc/79/21/90/585792190.db2.gz SIBLHUKLUUZGKQ-UHFFFAOYSA-N -1 3 244.268 1.374 20 10 BDCDHM C[C@@H]1C[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000792531647 586001926 /nfs/dbraw/zinc/00/19/26/586001926.db2.gz OYTFCOGCVALXPN-OCAPTIKFSA-N -1 3 221.256 1.721 20 10 BDCDHM CC[C@@H]1C[C@H]1NC(=O)c1cc([O-])cs1 ZINC000798123217 586137695 /nfs/dbraw/zinc/13/76/95/586137695.db2.gz XWULALPKIRXYTA-HTRCEHHLSA-N -1 3 211.286 1.982 20 10 BDCDHM [O-]c1c(F)cccc1CN1CC[C@@](F)(CO)C1 ZINC000802660334 586308804 /nfs/dbraw/zinc/30/88/04/586308804.db2.gz IPYSWVVXOGMASC-LBPRGKRZSA-N -1 3 243.253 1.438 20 10 BDCDHM O=C(NCCc1cn[nH]c1)c1cc([O-])cs1 ZINC000811612037 586561942 /nfs/dbraw/zinc/56/19/42/586561942.db2.gz GFRRIVURYYQLHH-UHFFFAOYSA-N -1 3 237.284 1.149 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCCc2n[nH]cc21 ZINC000819948295 587005049 /nfs/dbraw/zinc/00/50/49/587005049.db2.gz CAFHWKKXTFRNQO-UHFFFAOYSA-N -1 3 249.295 1.770 20 10 BDCDHM CC[C@@H]([NH2+]Cc1cccc(C)c1[O-])C(=O)[O-] ZINC000820419315 587047559 /nfs/dbraw/zinc/04/75/59/587047559.db2.gz WPHYQZDNPUQLLA-SNVBAGLBSA-N -1 3 223.272 1.653 20 10 BDCDHM C[C@@H](O)CN(Cc1ccccc1[O-])CC(F)F ZINC000825098699 587303660 /nfs/dbraw/zinc/30/36/60/587303660.db2.gz MMNDIWHGXMCKJT-SECBINFHSA-N -1 3 245.269 1.840 20 10 BDCDHM [O-]c1cc(F)c(Cl)cc1CNC/C=C/CO ZINC000826941300 587366346 /nfs/dbraw/zinc/36/63/46/587366346.db2.gz HXLJXGSXTJFGGA-OWOJBTEDSA-N -1 3 245.681 1.823 20 10 BDCDHM CCC[C@H](O)C(=O)NCc1c([O-])cccc1F ZINC000830179971 587540377 /nfs/dbraw/zinc/54/03/77/587540377.db2.gz FIPYUVGRACCXOY-NSHDSACASA-N -1 3 241.262 1.309 20 10 BDCDHM CCOCC(C)(C)NC(=O)c1cc([O-])cs1 ZINC000846654064 588281112 /nfs/dbraw/zinc/28/11/12/588281112.db2.gz DAALUIKYBFKOJV-UHFFFAOYSA-N -1 3 243.328 1.999 20 10 BDCDHM C[C@H](O)CN(C(=O)c1cc([O-])cs1)C1CC1 ZINC000848391599 588375879 /nfs/dbraw/zinc/37/58/79/588375879.db2.gz BFOVGBGTMGELEZ-ZETCQYMHSA-N -1 3 241.312 1.439 20 10 BDCDHM Cc1ccc([O-])c(C[NH2+]C[C@@H](C)C(=O)[O-])c1 ZINC000848638412 588403052 /nfs/dbraw/zinc/40/30/52/588403052.db2.gz SHJXELDRBJBTHJ-SECBINFHSA-N -1 3 223.272 1.511 20 10 BDCDHM Cc1cccc(C[NH2+]C[C@H](C)C(=O)[O-])c1[O-] ZINC000848637570 588403073 /nfs/dbraw/zinc/40/30/73/588403073.db2.gz JHZXXGBCRKRMIS-VIFPVBQESA-N -1 3 223.272 1.511 20 10 BDCDHM [O-]c1ccc(Cl)c(F)c1CNC/C=C/CO ZINC000850357906 588539152 /nfs/dbraw/zinc/53/91/52/588539152.db2.gz XYXHBWSPRLFMTA-OWOJBTEDSA-N -1 3 245.681 1.823 20 10 BDCDHM O=C(c1cc([O-])cs1)N1C[C@@H]2C[C@@H]2C1 ZINC000862558311 589221853 /nfs/dbraw/zinc/22/18/53/589221853.db2.gz LPQORGGHVMINQT-KNVOCYPGSA-N -1 3 209.270 1.546 20 10 BDCDHM Cc1ccc(CN2CCNC(=O)[C@@H]2C)c([O-])c1 ZINC000876651486 590226394 /nfs/dbraw/zinc/22/63/94/590226394.db2.gz CPOAZTMYVHSRCB-JTQLQIEISA-N -1 3 234.299 1.021 20 10 BDCDHM Cc1cccc([O-])c1CN1CCn2ccnc2C1 ZINC000876676636 590229740 /nfs/dbraw/zinc/22/97/40/590229740.db2.gz SVGYSFOITRZKNL-UHFFFAOYSA-N -1 3 243.310 1.913 20 10 BDCDHM CCN(CC(=O)OC)Cc1c(C)cccc1[O-] ZINC000876686303 590230646 /nfs/dbraw/zinc/23/06/46/590230646.db2.gz USDOCBMFXXNPEX-UHFFFAOYSA-N -1 3 237.299 1.696 20 10 BDCDHM Cc1n[nH]cc1CNC(=O)c1cccc(O)c1[O-] ZINC000126325432 590281022 /nfs/dbraw/zinc/28/10/22/590281022.db2.gz YHSNMOGSRFFPDJ-UHFFFAOYSA-N -1 3 247.254 1.059 20 10 BDCDHM Cc1ccc(CN2CCN(C)C(=O)[C@H]2C)c([O-])c1 ZINC000877433083 590327480 /nfs/dbraw/zinc/32/74/80/590327480.db2.gz ITQODYASIFJGQI-LLVKDONJSA-N -1 3 248.326 1.363 20 10 BDCDHM C[C@@H]1C[C@H](O)CN1Cc1ccc(F)c(F)c1[O-] ZINC000877467642 590333884 /nfs/dbraw/zinc/33/38/84/590333884.db2.gz LNBVZBAUVHKQJK-APPZFPTMSA-N -1 3 243.253 1.626 20 10 BDCDHM CC1(O)CN(Cc2c([O-])cccc2Cl)C1 ZINC000877581212 590365459 /nfs/dbraw/zinc/36/54/59/590365459.db2.gz QXANQYSDPMPFQP-UHFFFAOYSA-N -1 3 227.691 1.612 20 10 BDCDHM Cc1ccc(CN2CCn3nncc3C2)c([O-])c1 ZINC000877616537 590375193 /nfs/dbraw/zinc/37/51/93/590375193.db2.gz DJMBBKAYPNNYQS-UHFFFAOYSA-N -1 3 244.298 1.308 20 10 BDCDHM Cc1cccc([O-])c1CNCc1ncc[nH]1 ZINC000877672711 590390328 /nfs/dbraw/zinc/39/03/28/590390328.db2.gz LIWCTRHIIGRRHJ-UHFFFAOYSA-N -1 3 217.272 1.714 20 10 BDCDHM CO[C@H]1CC[C@@H]1N(C)C(=O)c1cc([O-])cs1 ZINC000889330884 591765658 /nfs/dbraw/zinc/76/56/58/591765658.db2.gz FMIUARRGLFJODE-IUCAKERBSA-N -1 3 241.312 1.703 20 10 BDCDHM CC(C)[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC000232748667 598212541 /nfs/dbraw/zinc/21/25/41/598212541.db2.gz VKECOBDYAXXSRH-NSHDSACASA-N -1 3 241.262 1.730 20 10 BDCDHM O=C([O-])CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000236429569 598212598 /nfs/dbraw/zinc/21/25/98/598212598.db2.gz UBWQYMKQDOZGGD-UHFFFAOYSA-N -1 3 213.208 1.096 20 10 BDCDHM CC(C)CCNC(=O)c1cccc(O)c1[O-] ZINC000163268450 633051588 /nfs/dbraw/zinc/05/15/88/633051588.db2.gz FQWRNHJANPZQBN-UHFFFAOYSA-N -1 3 223.272 1.874 20 10 BDCDHM [O-]c1c(F)cc(F)cc1CN1C[C@@H]2C[C@]2(O)C1 ZINC000895644831 636171320 /nfs/dbraw/zinc/17/13/20/636171320.db2.gz GGLFYFNSHAKWME-UFBFGSQYSA-N -1 3 241.237 1.237 20 10 BDCDHM CN(CC(F)F)C(=O)c1cccc(O)c1[O-] ZINC000163279705 636352287 /nfs/dbraw/zinc/35/22/87/636352287.db2.gz VDWZBRHFLRYFCJ-UHFFFAOYSA-N -1 3 231.198 1.435 20 10 BDCDHM CC(C)NC(=S)NCc1c([O-])cccc1F ZINC000905661727 637873682 /nfs/dbraw/zinc/87/36/82/637873682.db2.gz QDAURWVDXGYKLW-UHFFFAOYSA-N -1 3 242.319 1.904 20 10 BDCDHM CN1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708411533 712194176 /nfs/dbraw/zinc/19/41/76/712194176.db2.gz AUPMNLDLWKVSMF-UHFFFAOYSA-N -1 3 242.269 1.418 20 10 BDCDHM CO[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928711658 711786159 /nfs/dbraw/zinc/78/61/59/711786159.db2.gz KVAXZLLELQJHIW-SSDOTTSWSA-N -1 3 227.235 1.182 20 10 BDCDHM C[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccccc1[O-] ZINC000086816459 712082277 /nfs/dbraw/zinc/08/22/77/712082277.db2.gz AYFRLGKIJSATHC-CYBMUJFWSA-N -1 3 235.283 1.831 20 10 BDCDHM C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccccc1[O-] ZINC000086816459 712082279 /nfs/dbraw/zinc/08/22/79/712082279.db2.gz AYFRLGKIJSATHC-CYBMUJFWSA-N -1 3 235.283 1.831 20 10 BDCDHM C[C@H](F)CCNC(=O)c1cccc(O)c1[O-] ZINC000705221714 712125015 /nfs/dbraw/zinc/12/50/15/712125015.db2.gz HSRJUMAZXZZNGF-ZETCQYMHSA-N -1 3 227.235 1.576 20 10 BDCDHM O=C(N[C@H]1CC12CC2)c1cccc(O)c1[O-] ZINC000715668876 712530419 /nfs/dbraw/zinc/53/04/19/712530419.db2.gz RSFKEDOWANHIQE-VIFPVBQESA-N -1 3 219.240 1.380 20 10 BDCDHM Nc1ccc(CC(=O)Nc2cncc([O-])c2)cc1 ZINC001218574385 971871874 /nfs/dbraw/zinc/87/18/74/971871874.db2.gz SQUDIODAXJZLBI-UHFFFAOYSA-N -1 3 243.266 1.551 20 10 BDCDHM Cc1cccc([O-])c1C[NH+]1CCC(C(=O)[O-])CC1 ZINC001594408523 958923890 /nfs/dbraw/zinc/92/38/90/958923890.db2.gz NBAZNXBFTCTNFC-UHFFFAOYSA-N -1 3 249.310 1.997 20 10 BDCDHM CO[C@@]1(C)C[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000694373405 959847067 /nfs/dbraw/zinc/84/70/67/959847067.db2.gz WSPWVGGEEXUHGH-SKDRFNHKSA-N -1 3 237.255 1.005 20 10 BDCDHM CCCc1nnc(-c2ccc(O)c(O)c2[O-])o1 ZINC001253938598 969423318 /nfs/dbraw/zinc/42/33/18/969423318.db2.gz OMNGCNMNQUBGLL-UHFFFAOYSA-N -1 3 236.227 1.806 20 10 BDCDHM CC1CC(N(C)C(=O)c2cccc(O)c2[O-])C1 ZINC001148212000 973814241 /nfs/dbraw/zinc/81/42/41/973814241.db2.gz HJJYQMYCLWIOQV-UHFFFAOYSA-N -1 3 235.283 1.968 20 10 BDCDHM Cc1cncnc1NC(=O)c1cccc(O)c1[O-] ZINC001148212114 973814378 /nfs/dbraw/zinc/81/43/78/973814378.db2.gz MYWUECPDORRLKJ-UHFFFAOYSA-N -1 3 245.238 1.449 20 10 BDCDHM O=C([O-])c1ccc(C[NH+]2CC=CC2)c([O-])c1 ZINC001231445764 977591804 /nfs/dbraw/zinc/59/18/04/977591804.db2.gz APXBZVJXEXXBDF-UHFFFAOYSA-N -1 3 219.240 1.462 20 10 BDCDHM Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001594358489 977629634 /nfs/dbraw/zinc/62/96/34/977629634.db2.gz BAXYBJZGEWQHFQ-LBPRGKRZSA-N -1 3 249.310 1.997 20 10 BDCDHM Cc1ccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001594358489 977629640 /nfs/dbraw/zinc/62/96/40/977629640.db2.gz BAXYBJZGEWQHFQ-LBPRGKRZSA-N -1 3 249.310 1.997 20 10 BDCDHM Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)[O-])c([O-])c1 ZINC001600410100 978688754 /nfs/dbraw/zinc/68/87/54/978688754.db2.gz HMVJDAKYZVAGRQ-SECBINFHSA-N -1 3 223.272 1.606 20 10 BDCDHM Cc1ccc(C[N@H+](C)[C@H](C)C(=O)[O-])c([O-])c1 ZINC001600410100 978688763 /nfs/dbraw/zinc/68/87/63/978688763.db2.gz HMVJDAKYZVAGRQ-SECBINFHSA-N -1 3 223.272 1.606 20 10 BDCDHM CC[C@H](F)C(=O)NCc1c([O-])cccc1F ZINC001339165624 978808476 /nfs/dbraw/zinc/80/84/76/978808476.db2.gz QNYMAWLPACPGHF-QMMMGPOBSA-N -1 3 229.226 1.896 20 10 BDCDHM CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)[O-] ZINC001603955103 979545789 /nfs/dbraw/zinc/54/57/89/979545789.db2.gz NPDLWPQGACLQKJ-WPRPVWTQSA-N -1 3 223.272 1.906 20 10 BDCDHM O=C([O-])[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC001601810907 988888743 /nfs/dbraw/zinc/88/87/43/988888743.db2.gz XDMAMEUYUMKPRR-GHMZBOCLSA-N -1 3 235.283 1.735 20 10 BDCDHM C[C@H]1CN(Cc2cc(F)ccc2[O-])CCC1=O ZINC001140057795 991510465 /nfs/dbraw/zinc/51/04/65/991510465.db2.gz MQVODNGBCCPTIF-VIFPVBQESA-N -1 3 237.274 1.942 20 10 BDCDHM [O-]c1ccc(F)cc1CN1C[C@H]2C[C@@H](C1)O2 ZINC001140059212 991511669 /nfs/dbraw/zinc/51/16/69/991511669.db2.gz ZNQMVEIPWDKHTP-PHIMTYICSA-N -1 3 223.247 1.504 20 10 BDCDHM O=C1CCN(Cc2c([O-])cccc2Cl)C1 ZINC001140341520 991611109 /nfs/dbraw/zinc/61/11/09/991611109.db2.gz SKZOSZOUJISWAN-UHFFFAOYSA-N -1 3 225.675 1.820 20 10 BDCDHM CNC(=O)CN(C)Cc1ccc(Cl)cc1[O-] ZINC001140461387 991643930 /nfs/dbraw/zinc/64/39/30/991643930.db2.gz KJYUOILYFYDGCO-UHFFFAOYSA-N -1 3 242.706 1.223 20 10 BDCDHM C[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1C[C@H]1C(=O)[O-] ZINC001593303165 994732219 /nfs/dbraw/zinc/73/22/19/994732219.db2.gz DGQRJLQGOSIMFY-JMJZKYOTSA-N -1 3 235.283 1.591 20 10 BDCDHM C[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1C[C@@H]1C(=O)[O-] ZINC001593303166 994732439 /nfs/dbraw/zinc/73/24/39/994732439.db2.gz DGQRJLQGOSIMFY-LSJOCFKGSA-N -1 3 235.283 1.591 20 10 BDCDHM C[C@@H]([NH2+]C[C@H](C)O)c1cc(C(=O)[O-])ccc1[O-] ZINC001593462540 995386979 /nfs/dbraw/zinc/38/69/79/995386979.db2.gz MEEDHNAQPMNZNY-JGVFFNPUSA-N -1 3 239.271 1.122 20 10 BDCDHM Cc1ccc(C(=O)N2CCCO2)c([O-])c1O ZINC000155785296 178387699 /nfs/dbraw/zinc/38/76/99/178387699.db2.gz ISYORDSXYKLHFJ-UHFFFAOYSA-N -1 3 223.228 1.184 20 10 BDCDHM Cc1ccc(C(=O)N2CC[C@H](C)C2)c([O-])c1O ZINC000271266731 178396770 /nfs/dbraw/zinc/39/67/70/178396770.db2.gz KYGUUEBSIWBKRL-QMMMGPOBSA-N -1 3 235.283 1.888 20 10 BDCDHM CCc1nc(CN(C)Cc2ccccc2[O-])no1 ZINC000111235171 344584623 /nfs/dbraw/zinc/58/46/23/344584623.db2.gz HPGVCWDZKJNQGV-UHFFFAOYSA-N -1 3 247.298 1.970 20 10 BDCDHM O=C(NC1CCC1)c1cccc(O)c1[O-] ZINC000163273484 182106318 /nfs/dbraw/zinc/10/63/18/182106318.db2.gz OEQMRPIFWBCBDR-UHFFFAOYSA-N -1 3 207.229 1.380 20 10 BDCDHM [O-]c1ccccc1CN1CC(F)(F)C[C@H]1CO ZINC000364838838 183116901 /nfs/dbraw/zinc/11/69/01/183116901.db2.gz AHIXAIXJFKJYMW-JTQLQIEISA-N -1 3 243.253 1.594 20 10 BDCDHM CCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000177659407 169251866 /nfs/dbraw/zinc/25/18/66/169251866.db2.gz WTDIAJDXYCGHIU-UHFFFAOYSA-N -1 3 209.245 1.546 20 10 BDCDHM COC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000119527536 384280476 /nfs/dbraw/zinc/28/04/76/384280476.db2.gz ZCLDXXOWBOBWQK-VIFPVBQESA-N -1 3 223.272 1.386 20 10 BDCDHM C[C@@H]1C[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000163277227 384782607 /nfs/dbraw/zinc/78/26/07/384782607.db2.gz JMIGHOVMOIZQLV-SFYZADRCSA-N -1 3 221.256 1.484 20 10 BDCDHM CS[C@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000163277775 384783871 /nfs/dbraw/zinc/78/38/71/384783871.db2.gz MENSYLDJJPJYNH-SSDOTTSWSA-N -1 3 241.312 1.579 20 10 BDCDHM CC[C@H](COC)NC(=O)c1cccc(O)c1[O-] ZINC000126436963 384799723 /nfs/dbraw/zinc/79/97/23/384799723.db2.gz QENOEEKGMGRMRK-MRVPVSSYSA-N -1 3 239.271 1.253 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](C2CC2)C1 ZINC000365967416 384916634 /nfs/dbraw/zinc/91/66/34/384916634.db2.gz LZSLDDRVFMGPTL-SNVBAGLBSA-N -1 3 247.294 1.970 20 10 BDCDHM CN(CC(=O)NC1CC1)Cc1ccccc1[O-] ZINC000109771043 385190049 /nfs/dbraw/zinc/19/00/49/385190049.db2.gz BZZORYJVJIBNQZ-UHFFFAOYSA-N -1 3 234.299 1.103 20 10 BDCDHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2C)c([O-])c1O ZINC000179476496 385470281 /nfs/dbraw/zinc/47/02/81/385470281.db2.gz BFRDIYZAYTTXIS-VXNVDRBHSA-N -1 3 221.256 1.544 20 10 BDCDHM [O-]c1c(F)cccc1CN1CC2(C1)CCOC2 ZINC000294167657 385815398 /nfs/dbraw/zinc/81/53/98/385815398.db2.gz WHCPYVQDTJUXRI-UHFFFAOYSA-N -1 3 237.274 1.754 20 10 BDCDHM C[C@@H](CF)NCc1cccc(F)c1[O-] ZINC000290254440 386412794 /nfs/dbraw/zinc/41/27/94/386412794.db2.gz VZSROHQUXYXCQN-ZETCQYMHSA-N -1 3 201.216 1.979 20 10 BDCDHM CN(CC(=O)N1CCC1)Cc1ccccc1[O-] ZINC000264584269 397921633 /nfs/dbraw/zinc/92/16/33/397921633.db2.gz DKUSUXQIAAHVMJ-UHFFFAOYSA-N -1 3 234.299 1.056 20 10 BDCDHM CCn1nc(C)c(CNCc2ccccc2[O-])n1 ZINC000295206186 172246899 /nfs/dbraw/zinc/24/68/99/172246899.db2.gz POVNCBFIDGNVCL-UHFFFAOYSA-N -1 3 246.314 1.602 20 10 BDCDHM C[C@@H](O)CCN(C)C(=O)c1cc([O-])cs1 ZINC000764324442 585463756 /nfs/dbraw/zinc/46/37/56/585463756.db2.gz NCVHNJIYDWFDKD-SSDOTTSWSA-N -1 3 229.301 1.297 20 10 BDCDHM O=C(N[C@@H](CO)C1CCC1)c1cc([O-])cs1 ZINC000855264439 588826944 /nfs/dbraw/zinc/82/69/44/588826944.db2.gz QJVMABNMARGSFQ-VIFPVBQESA-N -1 3 241.312 1.345 20 10 BDCDHM CCO[C@H]1C[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000855522395 588838729 /nfs/dbraw/zinc/83/87/29/588838729.db2.gz LUPQECZFBYGEGZ-XWEPSHTISA-N -1 3 241.312 1.751 20 10 BDCDHM COCCN(CCF)C(=O)c1cc([O-])cs1 ZINC000855594182 588841030 /nfs/dbraw/zinc/84/10/30/588841030.db2.gz MCUMQZNXHWMLST-UHFFFAOYSA-N -1 3 247.291 1.512 20 10 BDCDHM COc1cccc([O-])c1CNCc1cc(C)on1 ZINC000725848626 582904233 /nfs/dbraw/zinc/90/42/33/582904233.db2.gz ZDMLNGHVKNCERF-UHFFFAOYSA-N -1 3 248.282 1.987 20 10 BDCDHM CC(=O)OC[C@H](C)NCc1c([O-])cccc1F ZINC000896637567 583819530 /nfs/dbraw/zinc/81/95/30/583819530.db2.gz DYMIOTYWNQTAEF-QMMMGPOBSA-N -1 3 241.262 1.573 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)OC1COC1 ZINC000902968630 584702697 /nfs/dbraw/zinc/70/26/97/584702697.db2.gz OQKSMEALSJTJQF-UHFFFAOYSA-N -1 3 241.218 1.156 20 10 BDCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)N(C)C ZINC000731910477 584930967 /nfs/dbraw/zinc/93/09/67/584930967.db2.gz RTLKNWQWEIYQCB-ZCFIWIBFSA-N -1 3 243.284 1.087 20 10 BDCDHM Cn1nccc1CNC(=O)c1cc([O-])cs1 ZINC000732269540 584935436 /nfs/dbraw/zinc/93/54/36/584935436.db2.gz XHUJFJBBLOQNHG-UHFFFAOYSA-N -1 3 237.284 1.117 20 10 BDCDHM O=C(NCc1ccoc1)c1cc([O-])cs1 ZINC000732278214 584935726 /nfs/dbraw/zinc/93/57/26/584935726.db2.gz XNWSCYPLCKIECJ-UHFFFAOYSA-N -1 3 223.253 1.977 20 10 BDCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)CCCO1 ZINC000732284610 584935882 /nfs/dbraw/zinc/93/58/82/584935882.db2.gz URXHUNCUEZVGQV-MRVPVSSYSA-N -1 3 241.312 1.705 20 10 BDCDHM [O-]c1ccccc1CN1CC(OCC(F)F)C1 ZINC000839138847 585094353 /nfs/dbraw/zinc/09/43/53/585094353.db2.gz UVIRUQOUIBULKM-UHFFFAOYSA-N -1 3 243.253 1.858 20 10 BDCDHM [O-]c1c(Cl)cccc1CN1CC(CCO)C1 ZINC000839141327 585094599 /nfs/dbraw/zinc/09/45/99/585094599.db2.gz VXKOYHUEDXLXFB-UHFFFAOYSA-N -1 3 241.718 1.860 20 10 BDCDHM CC(C)[C@@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000743713772 585138962 /nfs/dbraw/zinc/13/89/62/585138962.db2.gz YFRVNOVEUSEZTD-NSHDSACASA-N -1 3 243.328 1.591 20 10 BDCDHM CC1(COC(=O)c2cc([O-])cs2)COC1 ZINC000745002442 585155165 /nfs/dbraw/zinc/15/51/65/585155165.db2.gz JYJJBOQJRSNMGO-UHFFFAOYSA-N -1 3 228.269 1.647 20 10 BDCDHM CCC[C@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000748323029 585190786 /nfs/dbraw/zinc/19/07/86/585190786.db2.gz UOYPRDZTACGMML-NSHDSACASA-N -1 3 243.328 1.735 20 10 BDCDHM O=C(N[C@@H]1C=C[C@H](CO)C1)c1cc([O-])cs1 ZINC000748362250 585191445 /nfs/dbraw/zinc/19/14/45/585191445.db2.gz DGZXBEJQTYKKGL-JGVFFNPUSA-N -1 3 239.296 1.121 20 10 BDCDHM CC[C@H]1COCCN1C(=O)c1cc([O-])cs1 ZINC000754904929 585292142 /nfs/dbraw/zinc/29/21/42/585292142.db2.gz BQYAAGNGFSJZBD-QMMMGPOBSA-N -1 3 241.312 1.705 20 10 BDCDHM CC[C@@H](NC(=O)c1cc([O-])cs1)[C@H](C)O ZINC000839783351 585342006 /nfs/dbraw/zinc/34/20/06/585342006.db2.gz XDWINTFTYXVJGV-POYBYMJQSA-N -1 3 229.301 1.343 20 10 BDCDHM CC[C@@H](CCO)NC(=O)c1cc([O-])cs1 ZINC000760178297 585386218 /nfs/dbraw/zinc/38/62/18/585386218.db2.gz RWRRTYJTDQOZMR-ZETCQYMHSA-N -1 3 229.301 1.345 20 10 BDCDHM CC[C@H]1CN(C(=O)c2cc([O-])cs2)C[C@H]1O ZINC000760978884 585403008 /nfs/dbraw/zinc/40/30/08/585403008.db2.gz CRLMGALHHGWRGG-IONNQARKSA-N -1 3 241.312 1.297 20 10 BDCDHM O=C(N[C@@H](CO)CC1CC1)c1cc([O-])cs1 ZINC000778511192 585736523 /nfs/dbraw/zinc/73/65/23/585736523.db2.gz NYPYCPTVFRQKIF-MRVPVSSYSA-N -1 3 241.312 1.345 20 10 BDCDHM CC1(C)[C@H](O)C[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000779454373 585755041 /nfs/dbraw/zinc/75/50/41/585755041.db2.gz OFXYHRFAMFZCKW-DTWKUNHWSA-N -1 3 241.312 1.343 20 10 BDCDHM CN(C(=O)/C=C/c1cncc([O-])c1)c1cn[nH]c1 ZINC000779669517 585758621 /nfs/dbraw/zinc/75/86/21/585758621.db2.gz OTXDHHHPGOMOCF-NSCUHMNNSA-N -1 3 244.254 1.187 20 10 BDCDHM C[C@H](O)[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000780803148 585785212 /nfs/dbraw/zinc/78/52/12/585785212.db2.gz IPTYAFWLGCEAAZ-JGVFFNPUSA-N -1 3 241.312 1.297 20 10 BDCDHM O=C(NC[C@H]1CC[C@@H](O)C1)c1cc([O-])cs1 ZINC000789918721 585952596 /nfs/dbraw/zinc/95/25/96/585952596.db2.gz VZCAUPSGDSYKIV-JGVFFNPUSA-N -1 3 241.312 1.345 20 10 BDCDHM CC(=O)C(=O)COC(=O)c1cc2occc2[n-]1 ZINC000808544531 586478936 /nfs/dbraw/zinc/47/89/36/586478936.db2.gz PKGMWFVMAKCPQE-UHFFFAOYSA-N -1 3 235.195 1.076 20 10 BDCDHM CC[C@@H](CNC(=O)c1cc([O-])cs1)OC ZINC000812368972 586574842 /nfs/dbraw/zinc/57/48/42/586574842.db2.gz GOQGUMNEGHEKAJ-QMMMGPOBSA-N -1 3 229.301 1.609 20 10 BDCDHM CC[C@H](CNC(=O)c1cc([O-])cs1)OC ZINC000812368971 586574848 /nfs/dbraw/zinc/57/48/48/586574848.db2.gz GOQGUMNEGHEKAJ-MRVPVSSYSA-N -1 3 229.301 1.609 20 10 BDCDHM CCOc1ccc([O-])c(C[NH2+]CCC(=O)[O-])c1 ZINC000818244789 586881214 /nfs/dbraw/zinc/88/12/14/586881214.db2.gz QFCFMGBHGKDASN-UHFFFAOYSA-N -1 3 239.271 1.355 20 10 BDCDHM CC(C)(CCO)NC(=O)c1cc([O-])cs1 ZINC000831395376 587603222 /nfs/dbraw/zinc/60/32/22/587603222.db2.gz UNQSDCIJYMBADT-UHFFFAOYSA-N -1 3 229.301 1.345 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]1CCO ZINC000832544419 587665505 /nfs/dbraw/zinc/66/55/05/587665505.db2.gz ZPNNEAIIOAXKMG-MRVPVSSYSA-N -1 3 241.312 1.441 20 10 BDCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])C(F)F ZINC000833204437 587702257 /nfs/dbraw/zinc/70/22/57/587702257.db2.gz NHZSPGZKPMEUCH-ZETCQYMHSA-N -1 3 245.225 1.871 20 10 BDCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])C(F)F ZINC000833204436 587702621 /nfs/dbraw/zinc/70/26/21/587702621.db2.gz NHZSPGZKPMEUCH-SSDOTTSWSA-N -1 3 245.225 1.871 20 10 BDCDHM CCC[C@H](CNC(=O)c1cc([O-])cs1)OC ZINC000833372276 587710326 /nfs/dbraw/zinc/71/03/26/587710326.db2.gz PFPIUFOTFXXLKM-SECBINFHSA-N -1 3 243.328 1.999 20 10 BDCDHM CC[C@@]1(NC(=O)c2cc([O-])cs2)CCOC1 ZINC000834356214 587753111 /nfs/dbraw/zinc/75/31/11/587753111.db2.gz VHYWKBXNSBREOK-LLVKDONJSA-N -1 3 241.312 1.753 20 10 BDCDHM CCC1CN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000837257676 587861811 /nfs/dbraw/zinc/86/18/11/587861811.db2.gz DNYWCYMNMMTYHG-UHFFFAOYSA-N -1 3 235.283 1.888 20 10 BDCDHM C[C@@H]1C(=O)N(C)CN1Cc1cc(F)ccc1[O-] ZINC000843435186 588109722 /nfs/dbraw/zinc/10/97/22/588109722.db2.gz KJPCCGCCDAXFCU-MRVPVSSYSA-N -1 3 238.262 1.151 20 10 BDCDHM O=C(c1cc([O-])cs1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000846665106 588281862 /nfs/dbraw/zinc/28/18/62/588281862.db2.gz RNWSWKPBGJLIFT-KNVOCYPGSA-N -1 3 245.250 1.791 20 10 BDCDHM Cc1cc([O-])c(C[NH2+]C[C@@H](C)C(=O)[O-])cc1C ZINC000848637331 588403468 /nfs/dbraw/zinc/40/34/68/588403468.db2.gz FTTTYPGMAVBSBG-SNVBAGLBSA-N -1 3 237.299 1.819 20 10 BDCDHM CC1(NCc2ccc(F)c(F)c2[O-])COC1 ZINC000864049365 589334351 /nfs/dbraw/zinc/33/43/51/589334351.db2.gz GTKFGNCAFNNLDH-UHFFFAOYSA-N -1 3 229.226 1.549 20 10 BDCDHM COC(C)(C)CCNC(=O)c1cc([O-])cs1 ZINC000871258072 589751751 /nfs/dbraw/zinc/75/17/51/589751751.db2.gz UYWHJPXDUJGDET-UHFFFAOYSA-N -1 3 243.328 1.999 20 10 BDCDHM COC(=O)CN(Cc1c(C)cccc1[O-])C1CC1 ZINC000876799997 590243205 /nfs/dbraw/zinc/24/32/05/590243205.db2.gz FIBGYOUFAKFLAT-UHFFFAOYSA-N -1 3 249.310 1.838 20 10 BDCDHM Cn1ccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000126271453 590262869 /nfs/dbraw/zinc/26/28/69/590262869.db2.gz WASDZIGHQOUMCQ-UHFFFAOYSA-N -1 3 233.227 1.084 20 10 BDCDHM Cc1cccc([O-])c1CN1CCn2ncnc2C1 ZINC000877406212 590323969 /nfs/dbraw/zinc/32/39/69/590323969.db2.gz SAXUFOKDSXGGHY-UHFFFAOYSA-N -1 3 244.298 1.308 20 10 BDCDHM COC(=O)[C@H](C)NCc1c(C)cccc1[O-] ZINC000877476644 590335813 /nfs/dbraw/zinc/33/58/13/590335813.db2.gz JUGWXXDXRPFSCF-VIFPVBQESA-N -1 3 223.272 1.352 20 10 BDCDHM CCn1ncnc1CNCc1c(C)cccc1[O-] ZINC000877492359 590340147 /nfs/dbraw/zinc/34/01/47/590340147.db2.gz WTZHRYZFKYGKKF-UHFFFAOYSA-N -1 3 246.314 1.602 20 10 BDCDHM COC(=O)[C@@H](CF)NCc1c(C)cccc1[O-] ZINC000877529818 590348957 /nfs/dbraw/zinc/34/89/57/590348957.db2.gz NFTOMAYNFZHPDD-SNVBAGLBSA-N -1 3 241.262 1.301 20 10 BDCDHM Cc1ccc(CN2CC(O)(C(C)C)C2)c([O-])c1 ZINC000877580237 590364587 /nfs/dbraw/zinc/36/45/87/590364587.db2.gz NPUVDQARHMSFHJ-UHFFFAOYSA-N -1 3 235.327 1.903 20 10 BDCDHM Cn1nccc1CN1Cc2cccc([O-])c2C1 ZINC000877703342 590395799 /nfs/dbraw/zinc/39/57/99/590395799.db2.gz CFTAVYSVZFDYED-UHFFFAOYSA-N -1 3 229.283 1.642 20 10 BDCDHM CCn1nncc1CN1Cc2cccc([O-])c2C1 ZINC000877702918 590395871 /nfs/dbraw/zinc/39/58/71/590395871.db2.gz JZBLDIFNLMOSNM-UHFFFAOYSA-N -1 3 244.298 1.519 20 10 BDCDHM [O-]c1cccc2c1CN(Cc1cn[nH]c1)C2 ZINC000877703240 590396779 /nfs/dbraw/zinc/39/67/79/590396779.db2.gz XVKQXPBFLSJPLR-UHFFFAOYSA-N -1 3 215.256 1.631 20 10 BDCDHM COC(=O)[C@H](N[C@@H](C)c1ccccc1[O-])C1CC1 ZINC000879650918 590844000 /nfs/dbraw/zinc/84/40/00/590844000.db2.gz WYSNYYPVYGJVGW-TVQRCGJNSA-N -1 3 249.310 1.994 20 10 BDCDHM CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC000232704425 598212851 /nfs/dbraw/zinc/21/28/51/598212851.db2.gz VKECOBDYAXXSRH-LLVKDONJSA-N -1 3 241.262 1.730 20 10 BDCDHM Cc1ccc(C(=O)Nc2ccn(C)n2)c([O-])c1O ZINC000177663587 632858817 /nfs/dbraw/zinc/85/88/17/632858817.db2.gz UUXWIAIHWQKEFT-UHFFFAOYSA-N -1 3 247.254 1.392 20 10 BDCDHM COC[C@H]1CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894857782 635956748 /nfs/dbraw/zinc/95/67/48/635956748.db2.gz SQPALSOTBOMLJH-SNVBAGLBSA-N -1 3 243.253 1.891 20 10 BDCDHM O=C(Nc1cncc(F)c1)c1cccc(O)c1[O-] ZINC000305986484 642717480 /nfs/dbraw/zinc/71/74/80/642717480.db2.gz SQEUGTMRUKJDBE-UHFFFAOYSA-N -1 3 248.213 1.884 20 10 BDCDHM CS(C)(=O)=NC(=O)c1cc([O-])cs1 ZINC000913640951 711847693 /nfs/dbraw/zinc/84/76/93/711847693.db2.gz APHZOMXLRSJZCT-UHFFFAOYSA-N -1 3 219.287 1.322 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC(C(F)F)C1 ZINC000706479163 712146731 /nfs/dbraw/zinc/14/67/31/712146731.db2.gz REXAIBZWAJCLFD-UHFFFAOYSA-N -1 3 243.209 1.435 20 10 BDCDHM C[C@@H](NCc1cc(Cl)cc(F)c1[O-])C(N)=O ZINC000381262499 710614441 /nfs/dbraw/zinc/61/44/41/710614441.db2.gz SJWPFIDGUUJDFF-RXMQYKEDSA-N -1 3 246.669 1.148 20 10 BDCDHM C[C@H]1CCN1C(=O)c1cccc(O)c1[O-] ZINC000706850856 712157136 /nfs/dbraw/zinc/15/71/36/712157136.db2.gz XJACNQPPXWFHAY-ZETCQYMHSA-N -1 3 207.229 1.332 20 10 BDCDHM CC(C)C1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790900956 712421834 /nfs/dbraw/zinc/42/18/34/712421834.db2.gz ARMUVYDLZKHKFW-UHFFFAOYSA-N -1 3 235.283 1.826 20 10 BDCDHM C[C@H]1C[C@@H]1c1nnc(-c2ccc(O)c(O)c2[O-])o1 ZINC001256627401 970895548 /nfs/dbraw/zinc/89/55/48/970895548.db2.gz WVGXMYIJAJUCOU-FSPLSTOPSA-N -1 3 248.238 1.977 20 10 BDCDHM C[C@H]([NH2+][C@@H](C(=O)[O-])C1CC1)c1ccccc1[O-] ZINC000086758340 957982752 /nfs/dbraw/zinc/98/27/52/957982752.db2.gz ZCRNNBVYGBTDSN-QPUJVOFHSA-N -1 3 235.283 1.906 20 10 BDCDHM COCC1(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000697477015 963964414 /nfs/dbraw/zinc/96/44/14/963964414.db2.gz DRHUGAVGTZLQSM-UHFFFAOYSA-N -1 3 237.255 1.007 20 10 BDCDHM [O-]c1ccc(Cl)cc1CN1C[C@@H](O)[C@@H](F)C1 ZINC001203652031 966724286 /nfs/dbraw/zinc/72/42/86/966724286.db2.gz ZMDXKLCOIACUDK-GXSJLCMTSA-N -1 3 245.681 1.560 20 10 BDCDHM CN1CCC12CN(Cc1cccc(F)c1[O-])C2 ZINC001276537392 968810168 /nfs/dbraw/zinc/81/01/68/968810168.db2.gz GHHQAOYZPBRQAL-UHFFFAOYSA-N -1 3 236.290 1.421 20 10 BDCDHM Cc1nnc(-c2ccc(O)c(O)c2[O-])o1 ZINC001253375889 969142864 /nfs/dbraw/zinc/14/28/64/969142864.db2.gz WYGDNYXQHLZMPG-UHFFFAOYSA-N -1 3 208.173 1.162 20 10 BDCDHM CC(C)(C)ONC(=O)c1cccc(O)c1[O-] ZINC000126611277 973118833 /nfs/dbraw/zinc/11/88/33/973118833.db2.gz PHUXDAAYYDBFQY-UHFFFAOYSA-N -1 3 225.244 1.558 20 10 BDCDHM CC(C)N(C)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148579836 973868054 /nfs/dbraw/zinc/86/80/54/973868054.db2.gz BFFIFBNPLKYKEF-UHFFFAOYSA-N -1 3 225.244 1.284 20 10 BDCDHM CC1C[NH+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447859 977591144 /nfs/dbraw/zinc/59/11/44/977591144.db2.gz XGCQXSXWUQWZDZ-UHFFFAOYSA-N -1 3 221.256 1.542 20 10 BDCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@@H](O)C1 ZINC001233332070 978563628 /nfs/dbraw/zinc/56/36/28/978563628.db2.gz XOVHSPOAJMIUSK-MRVPVSSYSA-N -1 3 243.253 1.627 20 10 BDCDHM CC[C@H](C[NH2+]Cc1c(C)cccc1[O-])C(=O)[O-] ZINC001595167409 979720960 /nfs/dbraw/zinc/72/09/60/979720960.db2.gz NQMLBDSHSSXGBY-SNVBAGLBSA-N -1 3 237.299 1.901 20 10 BDCDHM CC(C)[C@@H](O)C(=O)NCc1c([O-])cccc1F ZINC000928707808 984902092 /nfs/dbraw/zinc/90/20/92/984902092.db2.gz IXNOHDHREAPOND-LLVKDONJSA-N -1 3 241.262 1.164 20 10 BDCDHM Cc1c[nH]c(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC001137348325 986814075 /nfs/dbraw/zinc/81/40/75/986814075.db2.gz SGUPECMNINEGMR-UHFFFAOYSA-N -1 3 247.254 1.690 20 10 BDCDHM Cc1ccc(C(=O)NOC2CCC2)c([O-])c1O ZINC001324936503 989030347 /nfs/dbraw/zinc/03/03/47/989030347.db2.gz HTLIHIQRBMXGOR-UHFFFAOYSA-N -1 3 237.255 1.620 20 10 BDCDHM COC(=O)[C@H](C)NCc1ccc(Cl)cc1[O-] ZINC001308738731 991116269 /nfs/dbraw/zinc/11/62/69/991116269.db2.gz CMATZFUGZBSQID-ZETCQYMHSA-N -1 3 243.690 1.697 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)c1cnccn1 ZINC001303877342 995175911 /nfs/dbraw/zinc/17/59/11/995175911.db2.gz BAJIURWMAODHDG-UHFFFAOYSA-N -1 3 247.229 1.251 20 10 BDCDHM COCC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599244365 998114135 /nfs/dbraw/zinc/11/41/35/998114135.db2.gz IGJYTKVDMBBHDC-MRVPVSSYSA-N -1 3 239.271 1.387 20 10 BDCDHM CCN(CC)C(=O)c1cccc(O)c1[O-] ZINC000039096869 343382468 /nfs/dbraw/zinc/38/24/68/343382468.db2.gz KLIZIGYAPYXTBK-UHFFFAOYSA-N -1 3 209.245 1.580 20 10 BDCDHM CC1(C)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126481678 345121430 /nfs/dbraw/zinc/12/14/30/345121430.db2.gz ACMXZRJOVNHFPR-UHFFFAOYSA-N -1 3 235.283 1.970 20 10 BDCDHM CC[C@@H](NCc1ncn(C)n1)c1ccccc1[O-] ZINC000157006652 345239255 /nfs/dbraw/zinc/23/92/55/345239255.db2.gz PMUZBLOWXBRWHQ-LLVKDONJSA-N -1 3 246.314 1.762 20 10 BDCDHM O=C([O-])[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000083413616 345918214 /nfs/dbraw/zinc/91/82/14/345918214.db2.gz BBSGSCVFNYIJCI-JTQLQIEISA-N -1 3 221.256 1.299 20 10 BDCDHM O=C([O-])[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000083413616 345918216 /nfs/dbraw/zinc/91/82/16/345918216.db2.gz BBSGSCVFNYIJCI-JTQLQIEISA-N -1 3 221.256 1.299 20 10 BDCDHM CCCCN(C)C(=O)c1cccc(O)c1[O-] ZINC000163268581 384783849 /nfs/dbraw/zinc/78/38/49/384783849.db2.gz XPOVCRIBDVGZIT-UHFFFAOYSA-N -1 3 223.272 1.970 20 10 BDCDHM O=C1CN(Cc2ccccc2[O-])CN1CC1CC1 ZINC000279347616 386671958 /nfs/dbraw/zinc/67/19/58/386671958.db2.gz FSYOSRWWWNYEQP-UHFFFAOYSA-N -1 3 246.310 1.404 20 10 BDCDHM [O-]c1c(F)cccc1CN1CCC[C@@H](O)C1 ZINC000272292794 397977094 /nfs/dbraw/zinc/97/70/94/397977094.db2.gz OHCRMMVYPFWPRO-SNVBAGLBSA-N -1 3 225.263 1.488 20 10 BDCDHM CC1CC(NC(=O)c2cccc(O)c2[O-])C1 ZINC000163278097 168145876 /nfs/dbraw/zinc/14/58/76/168145876.db2.gz JOSUVSHKMZXGSC-UHFFFAOYSA-N -1 3 221.256 1.626 20 10 BDCDHM CNC(=O)[C@H](C)N[C@@H](C)c1ccc(F)cc1[O-] ZINC000062748172 173303097 /nfs/dbraw/zinc/30/30/97/173303097.db2.gz FKZFUTRGCJQRDI-YUMQZZPRSA-N -1 3 240.278 1.316 20 10 BDCDHM C[C@H]1COCCN(Cc2cccc(F)c2[O-])C1 ZINC000369451658 177288209 /nfs/dbraw/zinc/28/82/09/177288209.db2.gz KUDIEIPZTADOFU-SNVBAGLBSA-N -1 3 239.290 2.000 20 10 BDCDHM O=C([O-])[C@H](C[NH2+]Cc1ccccc1[O-])C1CCC1 ZINC000854248102 588782025 /nfs/dbraw/zinc/78/20/25/588782025.db2.gz NWWRXFDMNAQYJB-GFCCVEGCSA-N -1 3 249.310 1.983 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCCOC1 ZINC000854410325 588785930 /nfs/dbraw/zinc/78/59/30/588785930.db2.gz URXBGGYHMYZVBU-UHFFFAOYSA-N -1 3 213.258 1.274 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCCCN1 ZINC000854427710 588786482 /nfs/dbraw/zinc/78/64/82/588786482.db2.gz IYLOPRXWZDEPFE-UHFFFAOYSA-N -1 3 212.274 1.194 20 10 BDCDHM CC[C@@H](NC(=O)c1cc([O-])cs1)C(C)(C)O ZINC000854662510 588800076 /nfs/dbraw/zinc/80/00/76/588800076.db2.gz CULMEXGYUJXPIP-SECBINFHSA-N -1 3 243.328 1.733 20 10 BDCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@@H]1CO ZINC000893921909 583247750 /nfs/dbraw/zinc/24/77/50/583247750.db2.gz UICNSRJYJCSGPB-SNVBAGLBSA-N -1 3 243.253 1.627 20 10 BDCDHM C[C@@H]1C[C@@H](O)CN1Cc1ccc(F)c(F)c1[O-] ZINC000877467645 583316305 /nfs/dbraw/zinc/31/63/05/583316305.db2.gz LNBVZBAUVHKQJK-VXNVDRBHSA-N -1 3 243.253 1.626 20 10 BDCDHM Cn1ncc(CN2Cc3cccc([O-])c3C2)n1 ZINC000877702520 583343859 /nfs/dbraw/zinc/34/38/59/583343859.db2.gz AAFPYNZLCPDMAC-UHFFFAOYSA-N -1 3 230.271 1.037 20 10 BDCDHM CC(=O)OC[C@@H](C)NCc1c([O-])cccc1F ZINC000896637565 583818991 /nfs/dbraw/zinc/81/89/91/583818991.db2.gz DYMIOTYWNQTAEF-MRVPVSSYSA-N -1 3 241.262 1.573 20 10 BDCDHM Cn1nccc1CNCc1c([O-])cccc1F ZINC000896640694 583820348 /nfs/dbraw/zinc/82/03/48/583820348.db2.gz MGOQLCQPYAZYPI-UHFFFAOYSA-N -1 3 235.262 1.555 20 10 BDCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H]1O ZINC000897684876 584040035 /nfs/dbraw/zinc/04/00/35/584040035.db2.gz YHTRMTLNWXJSSK-PRHODGIISA-N -1 3 241.718 1.858 20 10 BDCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)[C@H](C)CO1 ZINC000731868503 584930636 /nfs/dbraw/zinc/93/06/36/584930636.db2.gz HAZFGEBOASWYFR-HTQZYQBOSA-N -1 3 241.312 1.703 20 10 BDCDHM CCn1nccc1NC(=O)c1cc([O-])cs1 ZINC000732266978 584935135 /nfs/dbraw/zinc/93/51/35/584935135.db2.gz PMWYFUUFRASQHK-UHFFFAOYSA-N -1 3 237.284 1.922 20 10 BDCDHM O=C(Nc1cn[nH]c1)c1cc([O-])cs1 ZINC000732269501 584935204 /nfs/dbraw/zinc/93/52/04/584935204.db2.gz VKBZNDBPKLHOFO-UHFFFAOYSA-N -1 3 209.230 1.429 20 10 BDCDHM Cc1cnccc1NC(=O)c1cc([O-])cs1 ZINC000732289014 584935960 /nfs/dbraw/zinc/93/59/60/584935960.db2.gz AZQFKTCBJIUNSJ-UHFFFAOYSA-N -1 3 234.280 1.831 20 10 BDCDHM CC(C)OC(=O)CNC(=O)c1cc([O-])cs1 ZINC000732286976 584936042 /nfs/dbraw/zinc/93/60/42/584936042.db2.gz KOPDBWIAFLMNEN-UHFFFAOYSA-N -1 3 243.284 1.135 20 10 BDCDHM C[C@@H](NC(=O)c1cc([O-])cs1)[C@@H]1CCOC1 ZINC000743670882 585138709 /nfs/dbraw/zinc/13/87/09/585138709.db2.gz VXHILZCFHYMAMO-HTQZYQBOSA-N -1 3 241.312 1.609 20 10 BDCDHM CC[C@H](NC(=O)c1cc([O-])cs1)C(=O)OC ZINC000752824456 585250626 /nfs/dbraw/zinc/25/06/26/585250626.db2.gz QGJSYIJPWUBALR-ZETCQYMHSA-N -1 3 243.284 1.135 20 10 BDCDHM C[C@@H]1COCCN(C(=O)c2cc([O-])cs2)C1 ZINC000754512704 585285504 /nfs/dbraw/zinc/28/55/04/585285504.db2.gz RPGYPMWQUVUEOL-QMMMGPOBSA-N -1 3 241.312 1.562 20 10 BDCDHM C[C@H]1C[C@H](NC(=O)c2cc([O-])cs2)CCO1 ZINC000770412781 585573926 /nfs/dbraw/zinc/57/39/26/585573926.db2.gz WIDSQZNTGGLKHJ-JGVFFNPUSA-N -1 3 241.312 1.751 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CC=CCC1 ZINC000779314261 585750832 /nfs/dbraw/zinc/75/08/32/585750832.db2.gz YBMDVGYUVRKQFC-UHFFFAOYSA-N -1 3 209.270 1.856 20 10 BDCDHM C[C@@H](O)[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000780803149 585785223 /nfs/dbraw/zinc/78/52/23/585785223.db2.gz IPTYAFWLGCEAAZ-SFYZADRCSA-N -1 3 241.312 1.297 20 10 BDCDHM O=C(NC[C@@H]1CCC=CO1)c1cc([O-])cs1 ZINC000782040724 585807302 /nfs/dbraw/zinc/80/73/02/585807302.db2.gz WEJQCSRUQAKVRB-VIFPVBQESA-N -1 3 239.296 1.876 20 10 BDCDHM CO[C@@H](C)[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000788006732 585918798 /nfs/dbraw/zinc/91/87/98/585918798.db2.gz SNAYXMMVAOVXOZ-BQBZGAKWSA-N -1 3 229.301 1.607 20 10 BDCDHM CN(CCCO)Cc1c([O-])ccc(Cl)c1F ZINC000799739612 586195816 /nfs/dbraw/zinc/19/58/16/586195816.db2.gz MIXRFNNVKRIRKL-UHFFFAOYSA-N -1 3 247.697 1.999 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CCOCC12CC2 ZINC000802292315 586302661 /nfs/dbraw/zinc/30/26/61/586302661.db2.gz ICJUDAGBCYEZKV-UHFFFAOYSA-N -1 3 249.266 1.103 20 10 BDCDHM CC(=O)C(=O)COC(=O)c1ccc([O-])cc1C ZINC000808530734 586477770 /nfs/dbraw/zinc/47/77/70/586477770.db2.gz CPGJYNAARRWBGJ-UHFFFAOYSA-N -1 3 236.223 1.016 20 10 BDCDHM C[C@@H](CO)N(C)Cc1c([O-])ccc(Cl)c1F ZINC000809742503 586516221 /nfs/dbraw/zinc/51/62/21/586516221.db2.gz AGZCASJPHUNKRM-ZETCQYMHSA-N -1 3 247.697 1.997 20 10 BDCDHM CC1(C)[C@@H](O)CCN1C(=O)c1cc([O-])cs1 ZINC000812699495 586582967 /nfs/dbraw/zinc/58/29/67/586582967.db2.gz PBMYYNLZJIOHKS-VIFPVBQESA-N -1 3 241.312 1.439 20 10 BDCDHM CN1CC2(CN(Cc3ccccc3[O-])C2)OC1=O ZINC000817413912 586801480 /nfs/dbraw/zinc/80/14/80/586801480.db2.gz LQQQGJDKQJLMOB-UHFFFAOYSA-N -1 3 248.282 1.029 20 10 BDCDHM C[C@@H](NCC(F)(F)CN)c1ccc(F)cc1[O-] ZINC000817966683 586850874 /nfs/dbraw/zinc/85/08/74/586850874.db2.gz SYJXODUVVMSLOQ-SSDOTTSWSA-N -1 3 248.248 1.776 20 10 BDCDHM O=C(N[C@H]1CC12CC2)c1cc([O-])cs1 ZINC000822402300 587165994 /nfs/dbraw/zinc/16/59/94/587165994.db2.gz ZUXRHKHFVMGOKO-QMMMGPOBSA-N -1 3 209.270 1.736 20 10 BDCDHM [O-]c1ccccc1CNC(CF)CF ZINC000824555033 587275928 /nfs/dbraw/zinc/27/59/28/587275928.db2.gz PKOWXLHSSIKYAR-UHFFFAOYSA-N -1 3 201.216 1.789 20 10 BDCDHM CO[C@@H]1C[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000830179874 587540035 /nfs/dbraw/zinc/54/00/35/587540035.db2.gz DDMWITCAKOSVHH-RDDDGLTNSA-N -1 3 239.246 1.182 20 10 BDCDHM CC(C)(C)C(=O)CNC(=O)c1cc([O-])cs1 ZINC000831390572 587602828 /nfs/dbraw/zinc/60/28/28/587602828.db2.gz UTOKGCBHLHUYEW-UHFFFAOYSA-N -1 3 241.312 1.799 20 10 BDCDHM COCC(C)(C)CNC(=O)c1cc([O-])cs1 ZINC000832761816 587685501 /nfs/dbraw/zinc/68/55/01/587685501.db2.gz QVFFHCKEDOQIRT-UHFFFAOYSA-N -1 3 243.328 1.856 20 10 BDCDHM Cc1cccc(C[NH2+]C[C@@H](C)C(=O)[O-])c1[O-] ZINC000848637569 588403357 /nfs/dbraw/zinc/40/33/57/588403357.db2.gz JHZXXGBCRKRMIS-SECBINFHSA-N -1 3 223.272 1.511 20 10 BDCDHM [O-]c1ccc(Cl)c(F)c1CNC/C=C\CO ZINC000850357988 588539296 /nfs/dbraw/zinc/53/92/96/588539296.db2.gz XYXHBWSPRLFMTA-UPHRSURJSA-N -1 3 245.681 1.823 20 10 BDCDHM [O-]c1c(CN2CC[C@H](O)C2)ccc(F)c1F ZINC000876590095 590219418 /nfs/dbraw/zinc/21/94/18/590219418.db2.gz RQPFTBOQDFEZIT-QMMMGPOBSA-N -1 3 229.226 1.237 20 10 BDCDHM CCN1CC[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000882486606 591360711 /nfs/dbraw/zinc/36/07/11/591360711.db2.gz NABNGVJHMNYTQA-QMMMGPOBSA-N -1 3 240.328 1.278 20 10 BDCDHM CC(C)(CC(=O)[O-])[NH2+]Cc1ccccc1[O-] ZINC000694046756 600799167 /nfs/dbraw/zinc/79/91/67/600799167.db2.gz FBNXENQCPIZJPV-UHFFFAOYSA-N -1 3 223.272 1.735 20 10 BDCDHM C[C@H](N[C@H]1CNOC1)c1cc(F)cc(F)c1[O-] ZINC000925870113 635580656 /nfs/dbraw/zinc/58/06/56/635580656.db2.gz UIEFDZKARCWWOC-XPUUQOCRSA-N -1 3 244.241 1.224 20 10 BDCDHM CC(C)C(=O)NCc1c([O-])cccc1F ZINC000905008241 637543792 /nfs/dbraw/zinc/54/37/92/637543792.db2.gz GPPNINUNHGOCGH-UHFFFAOYSA-N -1 3 211.236 1.804 20 10 BDCDHM [O-]c1cccc(F)c1CNC(=S)NC1CC1 ZINC000905661044 637874359 /nfs/dbraw/zinc/87/43/59/637874359.db2.gz LBIJGSHEUGIKRI-UHFFFAOYSA-N -1 3 240.303 1.658 20 10 BDCDHM CN(C)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890758144 643343996 /nfs/dbraw/zinc/34/39/96/643343996.db2.gz RSDYLBRUWZZPAS-UHFFFAOYSA-N -1 3 242.706 1.223 20 10 BDCDHM CCONC(=O)NCc1c([O-])cccc1F ZINC000922039966 643851970 /nfs/dbraw/zinc/85/19/70/643851970.db2.gz YUXZQMBQSWEVRF-UHFFFAOYSA-N -1 3 228.223 1.282 20 10 BDCDHM O=C([O-])C[N@@H+](Cc1ccccc1[O-])CC1CC1 ZINC000086734520 644170127 /nfs/dbraw/zinc/17/01/27/644170127.db2.gz DSVUYVKPDGBZIJ-UHFFFAOYSA-N -1 3 235.283 1.689 20 10 BDCDHM O=C([O-])C[N@H+](Cc1ccccc1[O-])CC1CC1 ZINC000086734520 644170133 /nfs/dbraw/zinc/17/01/33/644170133.db2.gz DSVUYVKPDGBZIJ-UHFFFAOYSA-N -1 3 235.283 1.689 20 10 BDCDHM CC[N@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231561192 977635360 /nfs/dbraw/zinc/63/53/60/977635360.db2.gz SGAKZWJVBBSQOA-UHFFFAOYSA-N -1 3 209.245 1.542 20 10 BDCDHM CC[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231561192 977635372 /nfs/dbraw/zinc/63/53/72/977635372.db2.gz SGAKZWJVBBSQOA-UHFFFAOYSA-N -1 3 209.245 1.542 20 10 BDCDHM [O-]c1cc(Cl)c(F)cc1CN1CC(CO)C1 ZINC001237937727 980113677 /nfs/dbraw/zinc/11/36/77/980113677.db2.gz UINSBVWKBMNKAL-UHFFFAOYSA-N -1 3 245.681 1.609 20 10 BDCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](O)C1 ZINC001142508785 964340684 /nfs/dbraw/zinc/34/06/84/964340684.db2.gz LJQSFQCWPNCMLD-MRVPVSSYSA-N -1 3 229.226 1.237 20 10 BDCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203658107 966728249 /nfs/dbraw/zinc/72/82/49/966728249.db2.gz QWMPYFIQDCVVMY-UHFFFAOYSA-N -1 3 211.648 1.430 20 10 BDCDHM N[C@H]1CN(Cc2c([O-])cc(F)cc2F)C[C@H]1F ZINC001204824871 967186242 /nfs/dbraw/zinc/18/62/42/967186242.db2.gz WOCGRLUKIIOYIU-ZJUUUORDSA-N -1 3 246.232 1.151 20 10 BDCDHM CCCc1nnc(-c2cc(O)c([O-])c(O)c2)o1 ZINC001253938630 969426213 /nfs/dbraw/zinc/42/62/13/969426213.db2.gz QFWNPPBQOOCYAX-UHFFFAOYSA-N -1 3 236.227 1.806 20 10 BDCDHM Cc1nonc1NC(=O)c1cccc(O)c1[O-] ZINC001148212716 973814607 /nfs/dbraw/zinc/81/46/07/973814607.db2.gz HRNVURSQERDTRP-UHFFFAOYSA-N -1 3 235.199 1.042 20 10 BDCDHM O=C(N[C@H]1C[C@@H]1C1CC1)c1cc(O)c([O-])c(O)c1 ZINC001148590547 973874229 /nfs/dbraw/zinc/87/42/29/973874229.db2.gz MHIXJFGAUXEOKY-BDAKNGLRSA-N -1 3 249.266 1.332 20 10 BDCDHM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C1CC1 ZINC001231447850 977590086 /nfs/dbraw/zinc/59/00/86/977590086.db2.gz XALHMVMFOYUAFV-UHFFFAOYSA-N -1 3 221.256 1.685 20 10 BDCDHM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C1CC1 ZINC001231447850 977590092 /nfs/dbraw/zinc/59/00/92/977590092.db2.gz XALHMVMFOYUAFV-UHFFFAOYSA-N -1 3 221.256 1.685 20 10 BDCDHM CN(C)C1CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233074337 978460607 /nfs/dbraw/zinc/46/06/07/978460607.db2.gz NQMLEMMDTQHHJQ-UHFFFAOYSA-N -1 3 242.269 1.416 20 10 BDCDHM C[C@@H]1C[C@@H](O)CN1Cc1c([O-])ccc(F)c1F ZINC001233332596 978566473 /nfs/dbraw/zinc/56/64/73/978566473.db2.gz QIDKPGYKIQAYQG-HTQZYQBOSA-N -1 3 243.253 1.626 20 10 BDCDHM Cc1ccc(C[N@H+](CC(=O)[O-])C2CC2)c([O-])c1 ZINC001600410555 978691936 /nfs/dbraw/zinc/69/19/36/978691936.db2.gz RXZYYVLKDGHZBT-UHFFFAOYSA-N -1 3 235.283 1.750 20 10 BDCDHM Cc1ccc(C[N@@H+](CC(=O)[O-])C2CC2)c([O-])c1 ZINC001600410555 978691944 /nfs/dbraw/zinc/69/19/44/978691944.db2.gz RXZYYVLKDGHZBT-UHFFFAOYSA-N -1 3 235.283 1.750 20 10 BDCDHM O=C([O-])CC1([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC001601936448 978868445 /nfs/dbraw/zinc/86/84/45/978868445.db2.gz RKHYKJFYTXWUGM-UHFFFAOYSA-N -1 3 239.246 1.628 20 10 BDCDHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@H]1F ZINC001348358737 981342177 /nfs/dbraw/zinc/34/21/77/981342177.db2.gz LJUJOKOXRRLFNN-IMTBSYHQSA-N -1 3 227.210 1.506 20 10 BDCDHM CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001596491179 984232668 /nfs/dbraw/zinc/23/26/68/984232668.db2.gz ORWFOEGOAOFRHC-SSDOTTSWSA-N -1 3 209.245 1.761 20 10 BDCDHM CN1CCC12CN(Cc1c([O-])cccc1F)C2 ZINC001276354275 986053003 /nfs/dbraw/zinc/05/30/03/986053003.db2.gz OVSOTAWSQLTYQB-UHFFFAOYSA-N -1 3 236.290 1.421 20 10 BDCDHM COC(=O)C1CN(Cc2cccc(F)c2[O-])C1 ZINC001138123875 990883606 /nfs/dbraw/zinc/88/36/06/990883606.db2.gz PKAZDMWURFZSIR-UHFFFAOYSA-N -1 3 239.246 1.136 20 10 BDCDHM [O-]c1ccc(F)cc1CN1Cc2cncnc2C1 ZINC001140057414 991507841 /nfs/dbraw/zinc/50/78/41/991507841.db2.gz GRLGOGBKWHZJFO-UHFFFAOYSA-N -1 3 245.257 1.837 20 10 BDCDHM [O-]c1ccc(F)cc1CN1C[C@H]2CC[C@@H]1CO2 ZINC001140056294 991511086 /nfs/dbraw/zinc/51/10/86/991511086.db2.gz PUOYOGXIBNNEEW-VXGBXAGGSA-N -1 3 237.274 1.895 20 10 BDCDHM CC1(CO)CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140461737 991644122 /nfs/dbraw/zinc/64/41/22/991644122.db2.gz SJKPWHUNSXZKFK-UHFFFAOYSA-N -1 3 241.718 1.860 20 10 BDCDHM CC[C@@H](C[NH2+]Cc1ccc(C)cc1[O-])C(=O)[O-] ZINC001573805445 992720773 /nfs/dbraw/zinc/72/07/73/992720773.db2.gz OWOXNOYWJNSYOY-JTQLQIEISA-N -1 3 237.299 1.901 20 10 BDCDHM C=C=CCNC(=O)c1cccc(O)c1[O-] ZINC001298425182 994928262 /nfs/dbraw/zinc/92/82/62/994928262.db2.gz PAEDIDPADFFJIN-UHFFFAOYSA-N -1 3 205.213 1.169 20 10 BDCDHM C[C@@H]([NH2+][C@@H](C)CO)c1cc(C(=O)[O-])ccc1[O-] ZINC001593353491 994980482 /nfs/dbraw/zinc/98/04/82/994980482.db2.gz YEBWLOHBIWUVIV-JGVFFNPUSA-N -1 3 239.271 1.122 20 10 BDCDHM CN(CCC(N)=O)Cc1c([O-])cccc1Cl ZINC000289575461 538110375 /nfs/dbraw/zinc/11/03/75/538110375.db2.gz JREKWKKGUVDGSK-UHFFFAOYSA-N -1 3 242.706 1.353 20 10 BDCDHM CC[C@H](NCc1ncn(C)n1)c1ccccc1[O-] ZINC000157006505 385046320 /nfs/dbraw/zinc/04/63/20/385046320.db2.gz PMUZBLOWXBRWHQ-NSHDSACASA-N -1 3 246.314 1.762 20 10 BDCDHM CCN(CC(=O)OC)Cc1cc(F)ccc1[O-] ZINC000272274169 385890182 /nfs/dbraw/zinc/89/01/82/385890182.db2.gz LWZGXUDWDZKLHX-UHFFFAOYSA-N -1 3 241.262 1.526 20 10 BDCDHM COC[C@H]1CCN1Cc1cc(F)ccc1[O-] ZINC000293749376 386872436 /nfs/dbraw/zinc/87/24/36/386872436.db2.gz WPXABYQLDFKOAZ-LLVKDONJSA-N -1 3 225.263 1.752 20 10 BDCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000288757422 388859915 /nfs/dbraw/zinc/85/99/15/388859915.db2.gz ZTTJPGGKCXPSNK-YFKPBYRVSA-N -1 3 249.188 1.778 20 10 BDCDHM CC(C)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000163270108 166936624 /nfs/dbraw/zinc/93/66/24/166936624.db2.gz YZZFIWKJWVYZMB-UHFFFAOYSA-N -1 3 223.272 1.826 20 10 BDCDHM CO[C@@H](C)CCNC(=O)c1cccc(O)c1[O-] ZINC000280764149 397745678 /nfs/dbraw/zinc/74/56/78/397745678.db2.gz YFOJIEWYWZQGMR-QMMMGPOBSA-N -1 3 239.271 1.253 20 10 BDCDHM CC[C@H](C(=O)OC)N(C)Cc1ccccc1[O-] ZINC000173359184 171240461 /nfs/dbraw/zinc/24/04/61/171240461.db2.gz VXFLIOGTTNYIAI-LLVKDONJSA-N -1 3 237.299 1.776 20 10 BDCDHM CN(C(=O)c1cccc(O)c1[O-])C1CCC1 ZINC000163279840 172341895 /nfs/dbraw/zinc/34/18/95/172341895.db2.gz ADXFJQGULCCBSM-UHFFFAOYSA-N -1 3 221.256 1.722 20 10 BDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCC1=O ZINC000168829558 176262134 /nfs/dbraw/zinc/26/21/34/176262134.db2.gz VMVWTKPFCYDWCA-MRVPVSSYSA-N -1 3 249.266 1.149 20 10 BDCDHM C[C@@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000132475033 176307979 /nfs/dbraw/zinc/30/79/79/176307979.db2.gz BYDJSZQDXJOBQO-SNVBAGLBSA-N -1 3 207.273 1.613 20 10 BDCDHM Cc1ccc(C(=O)NN2CCCC2)c([O-])c1O ZINC000854328299 588784445 /nfs/dbraw/zinc/78/44/45/588784445.db2.gz UNAQUCOQEYJOJK-UHFFFAOYSA-N -1 3 236.271 1.147 20 10 BDCDHM CC(C)[C@](C)(CO)NC(=O)c1cc([O-])cs1 ZINC000854527015 588790436 /nfs/dbraw/zinc/79/04/36/588790436.db2.gz OLLUYTJAQYKJEB-NSHDSACASA-N -1 3 243.328 1.591 20 10 BDCDHM CC1=NO[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000854804023 588811009 /nfs/dbraw/zinc/81/10/09/588811009.db2.gz UAXHGKVFPZURQD-MRVPVSSYSA-N -1 3 240.284 1.348 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCC12COC2 ZINC000854838762 588812723 /nfs/dbraw/zinc/81/27/23/588812723.db2.gz TUFQUIOXCCOCRJ-UHFFFAOYSA-N -1 3 225.269 1.069 20 10 BDCDHM C[C@@H](O)[C@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000855869358 588852088 /nfs/dbraw/zinc/85/20/88/588852088.db2.gz MQRACYDTYGWKKN-VXNVDRBHSA-N -1 3 241.312 1.439 20 10 BDCDHM [O-]c1cccc(Cl)c1CN1C[C@H]2C[C@@]2(O)C1 ZINC000895647350 583699313 /nfs/dbraw/zinc/69/93/13/583699313.db2.gz KMJFXLOJHSACFK-PRHODGIISA-N -1 3 239.702 1.612 20 10 BDCDHM Cn1cc(CNCc2c([O-])cccc2F)cn1 ZINC000896642486 583818623 /nfs/dbraw/zinc/81/86/23/583818623.db2.gz XWKCUHFCQPVIFR-UHFFFAOYSA-N -1 3 235.262 1.555 20 10 BDCDHM O=C(NCCc1cccnc1)c1cc([O-])cs1 ZINC000731867328 584930567 /nfs/dbraw/zinc/93/05/67/584930567.db2.gz GBBSMCIXTAHDHQ-UHFFFAOYSA-N -1 3 248.307 1.821 20 10 BDCDHM O=C(Nc1nncs1)c1cc([O-])cs1 ZINC000731867090 584930607 /nfs/dbraw/zinc/93/06/07/584930607.db2.gz FAKQPEOPTBCJBK-UHFFFAOYSA-N -1 3 227.270 1.558 20 10 BDCDHM CC1(C)CN(C(=O)c2cc([O-])cs2)CCO1 ZINC000731868918 584930883 /nfs/dbraw/zinc/93/08/83/584930883.db2.gz DXNRSKMKOPTPRL-UHFFFAOYSA-N -1 3 241.312 1.705 20 10 BDCDHM C[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000732283345 584935974 /nfs/dbraw/zinc/93/59/74/584935974.db2.gz HOHUJMYTOWAUCT-SSDOTTSWSA-N -1 3 211.286 1.936 20 10 BDCDHM COC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732354656 584936132 /nfs/dbraw/zinc/93/61/32/584936132.db2.gz PNAVVPSWPNKGDM-YFKPBYRVSA-N -1 3 230.241 1.172 20 10 BDCDHM CC(C)[C@@H]1C[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000838080178 585045338 /nfs/dbraw/zinc/04/53/38/585045338.db2.gz NERRKQVWLJKIKQ-VHSXEESVSA-N -1 3 235.283 1.872 20 10 BDCDHM C[C@H](NC(=O)c1cc([O-])cs1)[C@@H]1CCOC1 ZINC000743670883 585138751 /nfs/dbraw/zinc/13/87/51/585138751.db2.gz VXHILZCFHYMAMO-JGVFFNPUSA-N -1 3 241.312 1.609 20 10 BDCDHM C[C@@H]1COCCCN1C(=O)c1cc([O-])cs1 ZINC000746301237 585167406 /nfs/dbraw/zinc/16/74/06/585167406.db2.gz KAFYQAASYYQIDV-MRVPVSSYSA-N -1 3 241.312 1.705 20 10 BDCDHM O=C(NCC1(O)CCCC1)c1cc([O-])cs1 ZINC000748356710 585191700 /nfs/dbraw/zinc/19/17/00/585191700.db2.gz RZWCPOUSZUFJKR-UHFFFAOYSA-N -1 3 241.312 1.489 20 10 BDCDHM CCCN1CC(=O)N[C@H]1c1cc(F)ccc1[O-] ZINC000840824796 585332797 /nfs/dbraw/zinc/33/27/97/585332797.db2.gz ORNORHBOEAIPFY-GFCCVEGCSA-N -1 3 238.262 1.372 20 10 BDCDHM CC(C)[C@@H]1CCN1C(=O)c1cccc(O)c1[O-] ZINC000839782014 585341680 /nfs/dbraw/zinc/34/16/80/585341680.db2.gz DUBSCKIAKPZVLL-JTQLQIEISA-N -1 3 235.283 1.968 20 10 BDCDHM Cc1nc(COC(=O)c2cc([O-])cs2)no1 ZINC000759521740 585374418 /nfs/dbraw/zinc/37/44/18/585374418.db2.gz DNMGUANBBZKTMQ-UHFFFAOYSA-N -1 3 240.240 1.502 20 10 BDCDHM CC[C@@H](O)CCCNC(=O)c1cc([O-])cs1 ZINC000761570758 585417516 /nfs/dbraw/zinc/41/75/16/585417516.db2.gz BDPRNRXLSFPWBV-MRVPVSSYSA-N -1 3 243.328 1.735 20 10 BDCDHM COCCC(=O)COC(=O)c1cc([O-])cs1 ZINC000761951348 585423203 /nfs/dbraw/zinc/42/32/03/585423203.db2.gz ZCZGLQGIOIAULX-UHFFFAOYSA-N -1 3 244.268 1.216 20 10 BDCDHM C[C@@H]1[C@H](C)OCCN1C(=O)c1cc([O-])cs1 ZINC000768258304 585534909 /nfs/dbraw/zinc/53/49/09/585534909.db2.gz OAUGQKPDNDRFKY-SFYZADRCSA-N -1 3 241.312 1.703 20 10 BDCDHM CN(CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000775639490 585682020 /nfs/dbraw/zinc/68/20/20/585682020.db2.gz XDAIRXGUMLVYCS-UHFFFAOYSA-N -1 3 233.670 1.609 20 10 BDCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](O)C1 ZINC000775648588 585682614 /nfs/dbraw/zinc/68/26/14/585682614.db2.gz DEQHFAWYFZPYLU-VIFPVBQESA-N -1 3 245.681 1.751 20 10 BDCDHM COC[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000783607013 585838162 /nfs/dbraw/zinc/83/81/62/585838162.db2.gz CYXPVGHAEPUUKY-ZCFIWIBFSA-N -1 3 216.258 1.645 20 10 BDCDHM O=C(c1cc([O-])cs1)N(CCO)C1CCC1 ZINC000784806076 585866466 /nfs/dbraw/zinc/86/64/66/585866466.db2.gz ORPSUHXGXOYOOF-UHFFFAOYSA-N -1 3 241.312 1.441 20 10 BDCDHM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cc([O-])cs1 ZINC000787929780 585917503 /nfs/dbraw/zinc/91/75/03/585917503.db2.gz RNKJUVNPJGBVAI-MBTKJCJQSA-N -1 3 223.297 1.982 20 10 BDCDHM O=C(Nc1c[nH]ccc1=O)c1cccc(O)c1[O-] ZINC000790540740 585965983 /nfs/dbraw/zinc/96/59/83/585965983.db2.gz XEISJPDTAQTEKT-UHFFFAOYSA-N -1 3 246.222 1.038 20 10 BDCDHM O=C(NC[C@@H]1CCSC1)c1cc([O-])cs1 ZINC000791059548 585973601 /nfs/dbraw/zinc/97/36/01/585973601.db2.gz BYTRYXBUXKASBQ-ZETCQYMHSA-N -1 3 243.353 1.937 20 10 BDCDHM Cc1ccc(C(=O)N2CC(C)(F)C2)c([O-])c1O ZINC000792522810 586001454 /nfs/dbraw/zinc/00/14/54/586001454.db2.gz IAAGVHRNUYXPTK-UHFFFAOYSA-N -1 3 239.246 1.590 20 10 BDCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)C1CC1 ZINC000798615824 586146398 /nfs/dbraw/zinc/14/63/98/586146398.db2.gz MTDVGZFMPMDGKE-LURJTMIESA-N -1 3 240.280 1.978 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CC[C@@](F)(CO)C1 ZINC000802660581 586309250 /nfs/dbraw/zinc/30/92/50/586309250.db2.gz PPUVQTZCFVJHLU-LBPRGKRZSA-N -1 3 243.253 1.438 20 10 BDCDHM C[C@@H](NCC(F)(F)CN)c1cc(F)ccc1[O-] ZINC000817966655 586855289 /nfs/dbraw/zinc/85/52/89/586855289.db2.gz SOHAVPVWDXVRPK-SSDOTTSWSA-N -1 3 248.248 1.776 20 10 BDCDHM Cc1cc([O-])c(C[N@@H+](C)[C@@H](C)C(=O)[O-])cc1C ZINC000818849175 586914479 /nfs/dbraw/zinc/91/44/79/586914479.db2.gz BMASBOYEXBGFGK-JTQLQIEISA-N -1 3 237.299 1.914 20 10 BDCDHM Cc1cc([O-])c(C[N@H+](C)[C@@H](C)C(=O)[O-])cc1C ZINC000818849175 586914480 /nfs/dbraw/zinc/91/44/80/586914480.db2.gz BMASBOYEXBGFGK-JTQLQIEISA-N -1 3 237.299 1.914 20 10 BDCDHM Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)[O-])c1[O-] ZINC000821111929 587096560 /nfs/dbraw/zinc/09/65/60/587096560.db2.gz BLUULXBKLCBFHF-VIFPVBQESA-N -1 3 223.272 1.606 20 10 BDCDHM Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)[O-])c1[O-] ZINC000821111929 587096558 /nfs/dbraw/zinc/09/65/58/587096558.db2.gz BLUULXBKLCBFHF-VIFPVBQESA-N -1 3 223.272 1.606 20 10 BDCDHM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cc([O-])cs1 ZINC000822485929 587171552 /nfs/dbraw/zinc/17/15/52/587171552.db2.gz VKKGECQDGCXXET-RNLVFQAGSA-N -1 3 223.297 1.982 20 10 BDCDHM CC(C)OC1CN(C(=O)c2cc([O-])cs2)C1 ZINC000825309784 587313717 /nfs/dbraw/zinc/31/37/17/587313717.db2.gz CCFLYGBYMCRFJX-UHFFFAOYSA-N -1 3 241.312 1.703 20 10 BDCDHM O=C([O-])N[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000834190014 587748154 /nfs/dbraw/zinc/74/81/54/587748154.db2.gz QELKEDMVYQGTQM-SNVBAGLBSA-N -1 3 236.271 1.234 20 10 BDCDHM O=C([O-])N[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000834190014 587748155 /nfs/dbraw/zinc/74/81/55/587748155.db2.gz QELKEDMVYQGTQM-SNVBAGLBSA-N -1 3 236.271 1.234 20 10 BDCDHM O=C([O-])N[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000834190013 587748408 /nfs/dbraw/zinc/74/84/08/587748408.db2.gz QELKEDMVYQGTQM-JTQLQIEISA-N -1 3 236.271 1.234 20 10 BDCDHM O=C([O-])N[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000834190013 587748409 /nfs/dbraw/zinc/74/84/09/587748409.db2.gz QELKEDMVYQGTQM-JTQLQIEISA-N -1 3 236.271 1.234 20 10 BDCDHM O=C(OC[C@H]1COCCO1)c1cc([O-])cs1 ZINC000837513353 587879345 /nfs/dbraw/zinc/87/93/45/587879345.db2.gz GWBUJAWOGZQXBS-MRVPVSSYSA-N -1 3 244.268 1.026 20 10 BDCDHM CC[C@H]([NH2+]Cc1cc(C)c(C)cc1[O-])C(=O)[O-] ZINC000843038917 588075498 /nfs/dbraw/zinc/07/54/98/588075498.db2.gz KVQLIXOSOHMTSD-NSHDSACASA-N -1 3 237.299 1.962 20 10 BDCDHM [O-]c1ccccc1CNCc1cc2n(n1)CCC2 ZINC000850113861 588520332 /nfs/dbraw/zinc/52/03/32/588520332.db2.gz XYGWEGRXLZVHGZ-UHFFFAOYSA-N -1 3 243.310 1.825 20 10 BDCDHM C[C@H](NCc1cn(C)cn1)c1ccccc1[O-] ZINC000851895207 588641925 /nfs/dbraw/zinc/64/19/25/588641925.db2.gz CCGWRXPANCGYTC-JTQLQIEISA-N -1 3 231.299 1.977 20 10 BDCDHM CCOC(=O)CN(C)Cc1c(C)cccc1[O-] ZINC000876566035 590216988 /nfs/dbraw/zinc/21/69/88/590216988.db2.gz WCAJOCWXFYTWPL-UHFFFAOYSA-N -1 3 237.299 1.696 20 10 BDCDHM Cc1cccc([O-])c1CNCc1nncn1C ZINC000876929554 590258335 /nfs/dbraw/zinc/25/83/35/590258335.db2.gz KDXLRCRQSQJYRH-UHFFFAOYSA-N -1 3 232.287 1.119 20 10 BDCDHM Cc1ccc(CNCc2cn(C)nn2)c([O-])c1 ZINC000877194455 590299423 /nfs/dbraw/zinc/29/94/23/590299423.db2.gz NEDZDCIPLCMURC-UHFFFAOYSA-N -1 3 232.287 1.119 20 10 BDCDHM CN(Cc1ncc[nH]1)C(=O)c1cccc(O)c1[O-] ZINC000126442679 590308035 /nfs/dbraw/zinc/30/80/35/590308035.db2.gz QVBUGQTTWMVNIC-UHFFFAOYSA-N -1 3 247.254 1.093 20 10 BDCDHM Cc1cccc([O-])c1CN1CC(=O)N(C)[C@H](C)C1 ZINC000877500838 590341083 /nfs/dbraw/zinc/34/10/83/590341083.db2.gz DTBBWEZTYAFJQM-LLVKDONJSA-N -1 3 248.326 1.363 20 10 BDCDHM Cc1ccc(CN2CCO[C@H]3C[C@H]32)c([O-])c1 ZINC000877546507 590352477 /nfs/dbraw/zinc/35/24/77/590352477.db2.gz RMDKFRGGFOAKLG-YPMHNXCESA-N -1 3 219.284 1.674 20 10 BDCDHM Cn1ccnc1CN1Cc2cccc([O-])c2C1 ZINC000877703372 590395731 /nfs/dbraw/zinc/39/57/31/590395731.db2.gz FGTSEZLSKHFFFL-UHFFFAOYSA-N -1 3 229.283 1.642 20 10 BDCDHM C[C@@H]1CCC(=O)CN1C(=O)c1cccc(O)c1[O-] ZINC000885083448 592048877 /nfs/dbraw/zinc/04/88/77/592048877.db2.gz OFQXIHGCBXRGDS-MRVPVSSYSA-N -1 3 249.266 1.291 20 10 BDCDHM C[C@@H]([NH2+]CCCC(=O)[O-])c1ccccc1[O-] ZINC000037418423 597732821 /nfs/dbraw/zinc/73/28/21/597732821.db2.gz FBAOQESOACKDFJ-SECBINFHSA-N -1 3 223.272 1.908 20 10 BDCDHM C[N@H+](CCC(=O)[O-])Cc1cc(F)ccc1[O-] ZINC000234291238 598211216 /nfs/dbraw/zinc/21/12/16/598211216.db2.gz UZYAUIBWWISXEN-UHFFFAOYSA-N -1 3 227.235 1.438 20 10 BDCDHM C[N@@H+](CCC(=O)[O-])Cc1cc(F)ccc1[O-] ZINC000234291238 598211217 /nfs/dbraw/zinc/21/12/17/598211217.db2.gz UZYAUIBWWISXEN-UHFFFAOYSA-N -1 3 227.235 1.438 20 10 BDCDHM O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000086729590 598211771 /nfs/dbraw/zinc/21/17/71/598211771.db2.gz CPLUGEMCYWPPAX-NSHDSACASA-N -1 3 235.283 1.831 20 10 BDCDHM O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000086729590 598211772 /nfs/dbraw/zinc/21/17/72/598211772.db2.gz CPLUGEMCYWPPAX-NSHDSACASA-N -1 3 235.283 1.831 20 10 BDCDHM O=C([O-])c1ccc(CNCc2ccccc2O)o1 ZINC000228409136 600524644 /nfs/dbraw/zinc/52/46/44/600524644.db2.gz OOSKTIPNKPBUEN-UHFFFAOYSA-N -1 3 247.250 1.973 20 10 BDCDHM C[C@@H](CC[NH2+]Cc1ccccc1[O-])NC(=O)[O-] ZINC000738909177 602650054 /nfs/dbraw/zinc/65/00/54/602650054.db2.gz ZZZOXMZGRBTSIK-VIFPVBQESA-N -1 3 238.287 1.528 20 10 BDCDHM O=C(Nc1nccs1)c1cccc(O)c1[O-] ZINC000163266662 633051827 /nfs/dbraw/zinc/05/18/27/633051827.db2.gz KZRHNQCTDLTEDC-UHFFFAOYSA-N -1 3 236.252 1.807 20 10 BDCDHM [O-]c1c(F)cc(F)cc1CN1C[C@H]2C[C@@]2(O)C1 ZINC000895644829 636170993 /nfs/dbraw/zinc/17/09/93/636170993.db2.gz GGLFYFNSHAKWME-PRHODGIISA-N -1 3 241.237 1.237 20 10 BDCDHM CC[C@@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000163270237 636347215 /nfs/dbraw/zinc/34/72/15/636347215.db2.gz AZOXSJWNLUNKBN-MRVPVSSYSA-N -1 3 223.272 1.968 20 10 BDCDHM CC(=O)CN(C)Cc1cc(Cl)c([O-])cc1O ZINC001232258552 977982959 /nfs/dbraw/zinc/98/29/59/977982959.db2.gz AMWSIDFOKATEQU-UHFFFAOYSA-N -1 3 243.690 1.772 20 10 BDCDHM C[C@H]1CC[N@H+](Cc2ccccc2[O-])C[C@@H]1C(=O)[O-] ZINC000693464434 958471325 /nfs/dbraw/zinc/47/13/25/958471325.db2.gz MFWFYIDAWIIGJE-JQWIXIFHSA-N -1 3 249.310 1.935 20 10 BDCDHM C[C@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@@H]1C(=O)[O-] ZINC000693464434 958471331 /nfs/dbraw/zinc/47/13/31/958471331.db2.gz MFWFYIDAWIIGJE-JQWIXIFHSA-N -1 3 249.310 1.935 20 10 BDCDHM O=C(N[C@@H]1CC=CCC1)c1cc(O)c([O-])c(O)c1 ZINC001148591078 973871897 /nfs/dbraw/zinc/87/18/97/973871897.db2.gz SWQACLXIZIOAQA-SECBINFHSA-N -1 3 249.266 1.642 20 10 BDCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@@H](O)C1 ZINC001237119069 979820815 /nfs/dbraw/zinc/82/08/15/979820815.db2.gz AHYPUWCXEPNTBO-SSDOTTSWSA-N -1 3 245.681 1.751 20 10 BDCDHM Cc1ccc(C[NH2+][C@H]2C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001605277710 979850912 /nfs/dbraw/zinc/85/09/12/979850912.db2.gz LVQKRYIJAFMSOG-XYPYZODXSA-N -1 3 235.283 1.653 20 10 BDCDHM CC(=O)C[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000717111001 983820124 /nfs/dbraw/zinc/82/01/24/983820124.db2.gz BFGTZYUFNYGJSK-SSDOTTSWSA-N -1 3 237.255 1.195 20 10 BDCDHM CC1(CO)CN(Cc2c([O-])cccc2F)C1 ZINC001137832046 990856617 /nfs/dbraw/zinc/85/66/17/990856617.db2.gz YHDXOSSJYRBCHB-UHFFFAOYSA-N -1 3 225.263 1.346 20 10 BDCDHM [O-]c1c(F)cccc1CN1CCOC2(CC2)C1 ZINC001138131255 990887770 /nfs/dbraw/zinc/88/77/70/990887770.db2.gz UJKMUVBFEKGKHE-UHFFFAOYSA-N -1 3 237.274 1.896 20 10 BDCDHM CN(Cc1cccc(F)c1[O-])C1COC1 ZINC001138127831 990887845 /nfs/dbraw/zinc/88/78/45/990887845.db2.gz RFWODXFIUIMHRC-UHFFFAOYSA-N -1 3 211.236 1.362 20 10 BDCDHM CC1(O)CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140461696 991644184 /nfs/dbraw/zinc/64/41/84/991644184.db2.gz REQCKGJZGALKOB-UHFFFAOYSA-N -1 3 227.691 1.612 20 10 BDCDHM Cc1ccc(C(=O)N2CCC(=O)CC2)c([O-])c1O ZINC000272689305 178384524 /nfs/dbraw/zinc/38/45/24/178384524.db2.gz VJMYTJZANKYEBX-UHFFFAOYSA-N -1 3 249.266 1.211 20 10 BDCDHM COC[C@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000126293141 384788283 /nfs/dbraw/zinc/78/82/83/384788283.db2.gz AYAUFPMGNVEREF-QMMMGPOBSA-N -1 3 239.271 1.205 20 10 BDCDHM CN(Cc1ncnn1C)Cc1ccccc1[O-] ZINC000177154054 385191233 /nfs/dbraw/zinc/19/12/33/385191233.db2.gz RDPJJSPNXLMDMS-UHFFFAOYSA-N -1 3 232.287 1.153 20 10 BDCDHM COC(=O)CN(Cc1ccccc1[O-])C(C)C ZINC000179559582 385474720 /nfs/dbraw/zinc/47/47/20/385474720.db2.gz VHZWMVFRETZCIR-UHFFFAOYSA-N -1 3 237.299 1.776 20 10 BDCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@H]1C ZINC000294043997 385793545 /nfs/dbraw/zinc/79/35/45/385793545.db2.gz KHMVLFXUWZAZJE-SFYZADRCSA-N -1 3 221.256 1.578 20 10 BDCDHM Cc1ccc(C(=O)NOC(C)C)c([O-])c1O ZINC000297277402 386238146 /nfs/dbraw/zinc/23/81/46/386238146.db2.gz SMVPAXXOZKDSOR-UHFFFAOYSA-N -1 3 225.244 1.476 20 10 BDCDHM CN(CCC1CC1)C(=O)c1cccc(O)c1[O-] ZINC000193143854 387268362 /nfs/dbraw/zinc/26/83/62/387268362.db2.gz SPDLKLRSEQOJCR-UHFFFAOYSA-N -1 3 235.283 1.970 20 10 BDCDHM Cn1cnc2c1CCN(Cc1ccccc1[O-])C2 ZINC000376203848 398026540 /nfs/dbraw/zinc/02/65/40/398026540.db2.gz SRGWPMOQTNQYCQ-UHFFFAOYSA-N -1 3 243.310 1.684 20 10 BDCDHM CC(C)OCCNC(=O)c1cccc(O)c1[O-] ZINC000126541220 167241546 /nfs/dbraw/zinc/24/15/46/167241546.db2.gz PEZYRVTUQXBAPP-UHFFFAOYSA-N -1 3 239.271 1.253 20 10 BDCDHM CNC(=O)CNCc1cc(Cl)c(F)cc1[O-] ZINC000294214456 173277624 /nfs/dbraw/zinc/27/76/24/173277624.db2.gz LMGZCXRXMNBAKL-UHFFFAOYSA-N -1 3 246.669 1.020 20 10 BDCDHM C[C@@H](c1nncn1C)N(C)Cc1ccccc1[O-] ZINC000287761029 176039356 /nfs/dbraw/zinc/03/93/56/176039356.db2.gz MGVBECVMTKBQBX-JTQLQIEISA-N -1 3 246.314 1.714 20 10 BDCDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000163272699 177154299 /nfs/dbraw/zinc/15/42/99/177154299.db2.gz OIYDUBINBJAPOG-QMMMGPOBSA-N -1 3 221.256 1.580 20 10 BDCDHM Cc1nnc(CN(C)Cc2ccccc2[O-])n1C ZINC000111235191 588731544 /nfs/dbraw/zinc/73/15/44/588731544.db2.gz XBHFVUXVEOTJMA-UHFFFAOYSA-N -1 3 246.314 1.461 20 10 BDCDHM O=C(NCCC1(CO)CC1)c1cc([O-])cs1 ZINC000854845986 588813233 /nfs/dbraw/zinc/81/32/33/588813233.db2.gz LBLZWEPBQURTQQ-UHFFFAOYSA-N -1 3 241.312 1.346 20 10 BDCDHM COCc1nnc(Sc2nccs2)[n-]1 ZINC000892928200 583011423 /nfs/dbraw/zinc/01/14/23/583011423.db2.gz BKDFOEORXLJKCB-UHFFFAOYSA-N -1 3 228.302 1.559 20 10 BDCDHM COCc1n[n-]c(Sc2nccs2)n1 ZINC000892928200 583011424 /nfs/dbraw/zinc/01/14/24/583011424.db2.gz BKDFOEORXLJKCB-UHFFFAOYSA-N -1 3 228.302 1.559 20 10 BDCDHM COCc1nc(Sc2nccs2)n[n-]1 ZINC000892928200 583011427 /nfs/dbraw/zinc/01/14/27/583011427.db2.gz BKDFOEORXLJKCB-UHFFFAOYSA-N -1 3 228.302 1.559 20 10 BDCDHM CN(CCO)Cc1cc(F)cc(F)c1[O-] ZINC000893870750 583235457 /nfs/dbraw/zinc/23/54/57/583235457.db2.gz GEGOBDGKJMSYSP-UHFFFAOYSA-N -1 3 217.215 1.095 20 10 BDCDHM Cc1c[nH]nc1CN1Cc2cccc([O-])c2C1 ZINC000877702743 583343637 /nfs/dbraw/zinc/34/36/37/583343637.db2.gz FVISJHIUNNZUPD-UHFFFAOYSA-N -1 3 229.283 1.940 20 10 BDCDHM C[C@@H](O)CN(C)Cc1cc(F)cc(F)c1[O-] ZINC000894450279 583462284 /nfs/dbraw/zinc/46/22/84/583462284.db2.gz HELPOFBMFRLNBW-SSDOTTSWSA-N -1 3 231.242 1.483 20 10 BDCDHM Cc1ncc(CNCc2c([O-])cccc2F)n1C ZINC000896639506 583819691 /nfs/dbraw/zinc/81/96/91/583819691.db2.gz VQBFZCASJWTICC-UHFFFAOYSA-N -1 3 249.289 1.863 20 10 BDCDHM Cc1noc([C@@H](C)NCc2ccccc2[O-])n1 ZINC000729684954 584022614 /nfs/dbraw/zinc/02/26/14/584022614.db2.gz YTFPXCIDFURLQN-MRVPVSSYSA-N -1 3 233.271 1.934 20 10 BDCDHM Cc1ncc(NC(=O)c2cc([O-])cs2)cn1 ZINC000732286057 584935796 /nfs/dbraw/zinc/93/57/96/584935796.db2.gz OHLTVFPQJLSMRB-UHFFFAOYSA-N -1 3 235.268 1.804 20 10 BDCDHM CC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732354475 584936258 /nfs/dbraw/zinc/93/62/58/584936258.db2.gz NFAMUXFBAPGALA-ZCFIWIBFSA-N -1 3 214.242 1.588 20 10 BDCDHM COc1cccc([O-])c1CN1CC(OC)C1 ZINC000839129052 585093620 /nfs/dbraw/zinc/09/36/20/585093620.db2.gz VTUNDEISQNJURU-UHFFFAOYSA-N -1 3 223.272 1.231 20 10 BDCDHM COC[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000740128253 585094324 /nfs/dbraw/zinc/09/43/24/585094324.db2.gz MWBJDYGPZPEISK-MRVPVSSYSA-N -1 3 241.312 1.562 20 10 BDCDHM C[C@](O)(CNC(=O)c1cc([O-])cs1)C1CC1 ZINC000743716529 585138853 /nfs/dbraw/zinc/13/88/53/585138853.db2.gz YAOULMAFXRBRHN-NSHDSACASA-N -1 3 241.312 1.345 20 10 BDCDHM C[C@H]1COCCCN1C(=O)c1cc([O-])cs1 ZINC000746301239 585167294 /nfs/dbraw/zinc/16/72/94/585167294.db2.gz KAFYQAASYYQIDV-QMMMGPOBSA-N -1 3 241.312 1.705 20 10 BDCDHM O=C(N[C@H]1CCC[C@H]1CO)c1cc([O-])cs1 ZINC000839790085 585342146 /nfs/dbraw/zinc/34/21/46/585342146.db2.gz MDQRFTQMKYYQKO-CBAPKCEASA-N -1 3 241.312 1.345 20 10 BDCDHM Cc1ccc(C(=O)NOCC(F)F)c([O-])c1O ZINC000760146070 585386045 /nfs/dbraw/zinc/38/60/45/585386045.db2.gz FBIFFJKBOBYPFK-UHFFFAOYSA-N -1 3 247.197 1.333 20 10 BDCDHM CC[C@@H]1OCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000839797166 585461016 /nfs/dbraw/zinc/46/10/16/585461016.db2.gz GMTAVKVNSIWNIF-BDAKNGLRSA-N -1 3 241.312 1.751 20 10 BDCDHM CN(Cc1cn[nH]c1)Cc1ccccc1[O-] ZINC000768872895 585545233 /nfs/dbraw/zinc/54/52/33/585545233.db2.gz LLBKTPOSDJYQJM-UHFFFAOYSA-N -1 3 217.272 1.747 20 10 BDCDHM C[C@@H]1C[C@@H](NC(=O)c2cc([O-])cs2)CCO1 ZINC000770412785 585573923 /nfs/dbraw/zinc/57/39/23/585573923.db2.gz WIDSQZNTGGLKHJ-SFYZADRCSA-N -1 3 241.312 1.751 20 10 BDCDHM CCC[C@H](O)CNC(=O)c1cc([O-])cs1 ZINC000771064716 585589591 /nfs/dbraw/zinc/58/95/91/585589591.db2.gz KRUVWDDFZIDAPN-ZETCQYMHSA-N -1 3 229.301 1.345 20 10 BDCDHM C/C=C\C[C@H](CO)NC(=O)c1cc([O-])cs1 ZINC000771742220 585599399 /nfs/dbraw/zinc/59/93/99/585599399.db2.gz BJQNXRDKYYSTNT-YAJNLLPGSA-N -1 3 241.312 1.511 20 10 BDCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](O)C1 ZINC000775647847 585682327 /nfs/dbraw/zinc/68/23/27/585682327.db2.gz DEQHFAWYFZPYLU-SECBINFHSA-N -1 3 245.681 1.751 20 10 BDCDHM O=C(NOCC(F)F)c1cccc(O)c1[O-] ZINC000790932895 585970713 /nfs/dbraw/zinc/97/07/13/585970713.db2.gz JUULNEGTGIUIKT-UHFFFAOYSA-N -1 3 233.170 1.024 20 10 BDCDHM CC1(C)CN(C(=O)c2cc([O-])cs2)C1 ZINC000791039151 585972512 /nfs/dbraw/zinc/97/25/12/585972512.db2.gz NTHAVPLUPJSBOY-UHFFFAOYSA-N -1 3 211.286 1.936 20 10 BDCDHM COCC1(NC(=O)c2cc([O-])cs2)CC1 ZINC000807660624 586447775 /nfs/dbraw/zinc/44/77/75/586447775.db2.gz FDJYOMZLSGRGBS-UHFFFAOYSA-N -1 3 227.285 1.363 20 10 BDCDHM C[C@@H]1CSC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000807692515 586448452 /nfs/dbraw/zinc/44/84/52/586448452.db2.gz ZSIGOEPJJIKWNZ-HTRCEHHLSA-N -1 3 243.353 1.935 20 10 BDCDHM CN(C(=O)c1cc([O-])cs1)[C@H]1CCCOC1 ZINC000807678261 586448506 /nfs/dbraw/zinc/44/85/06/586448506.db2.gz HCMCNPBUSYZVFW-QMMMGPOBSA-N -1 3 241.312 1.705 20 10 BDCDHM C[C@@H](NCc1cc(Cl)c(F)cc1[O-])C(N)=O ZINC000816593021 586743208 /nfs/dbraw/zinc/74/32/08/586743208.db2.gz BXGPCTMVNCYIBR-RXMQYKEDSA-N -1 3 246.669 1.148 20 10 BDCDHM CC[C@@H]([NH2+]Cc1cc(C)c(C)cc1[O-])C(=O)[O-] ZINC000818316955 586886218 /nfs/dbraw/zinc/88/62/18/586886218.db2.gz KVQLIXOSOHMTSD-LLVKDONJSA-N -1 3 237.299 1.962 20 10 BDCDHM Cc1cc(Cl)cc(C[N@H+](C)CC(=O)[O-])c1[O-] ZINC000820976330 587085707 /nfs/dbraw/zinc/08/57/07/587085707.db2.gz BBEBYLGGZGKILD-UHFFFAOYSA-N -1 3 243.690 1.870 20 10 BDCDHM Cc1cc(Cl)cc(C[N@@H+](C)CC(=O)[O-])c1[O-] ZINC000820976330 587085709 /nfs/dbraw/zinc/08/57/09/587085709.db2.gz BBEBYLGGZGKILD-UHFFFAOYSA-N -1 3 243.690 1.870 20 10 BDCDHM CCN(CC(=O)OC)C(=O)c1cc([O-])cs1 ZINC000826052374 587349837 /nfs/dbraw/zinc/34/98/37/587349837.db2.gz DBWRLUZEISEQCJ-UHFFFAOYSA-N -1 3 243.284 1.089 20 10 BDCDHM CO[C@H](CNC(=O)c1cc([O-])cs1)C1CC1 ZINC000832895020 587694621 /nfs/dbraw/zinc/69/46/21/587694621.db2.gz WBYOQCSSURTLSI-SECBINFHSA-N -1 3 241.312 1.609 20 10 BDCDHM COc1cccc([O-])c1CNCc1ccno1 ZINC000843403195 588106412 /nfs/dbraw/zinc/10/64/12/588106412.db2.gz VJQLIQMVBYQJCS-UHFFFAOYSA-N -1 3 234.255 1.679 20 10 BDCDHM CO[C@@H]1COC[C@H]1NCc1cccc(F)c1[O-] ZINC000843427761 588108559 /nfs/dbraw/zinc/10/85/59/588108559.db2.gz LKOYPCHSKVXEIF-GHMZBOCLSA-N -1 3 241.262 1.035 20 10 BDCDHM C[C@H]1C[C@@H](NC(=O)c2cc([O-])cs2)CO1 ZINC000844152994 588171156 /nfs/dbraw/zinc/17/11/56/588171156.db2.gz JFKIKWBZGZUTLI-NKWVEPMBSA-N -1 3 227.285 1.361 20 10 BDCDHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc([O-])cs1 ZINC000846659288 588281488 /nfs/dbraw/zinc/28/14/88/588281488.db2.gz QTEIJGUHDBWGAX-HLTSFMKQSA-N -1 3 239.296 1.503 20 10 BDCDHM C[C@@H](O)CCOC(=O)c1cc([O-])cs1 ZINC000849728655 588490464 /nfs/dbraw/zinc/49/04/64/588490464.db2.gz WNAXZDRNCXGHQD-ZCFIWIBFSA-N -1 3 216.258 1.381 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CC2(C1)CCCO2 ZINC000862484138 589217124 /nfs/dbraw/zinc/21/71/24/589217124.db2.gz DGTUCYHPZLAEEU-UHFFFAOYSA-N -1 3 237.274 1.896 20 10 BDCDHM [O-]c1c(CN2CCC(O)CC2)ccc(F)c1F ZINC000876540631 590212342 /nfs/dbraw/zinc/21/23/42/590212342.db2.gz KXWHDENLEIECMM-UHFFFAOYSA-N -1 3 243.253 1.627 20 10 BDCDHM CC1(O)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000877580650 590364761 /nfs/dbraw/zinc/36/47/61/590364761.db2.gz FPUGSYUYCBTXKD-UHFFFAOYSA-N -1 3 227.691 1.612 20 10 BDCDHM CC1(O)CN(Cc2cc(F)ccc2[O-])C1 ZINC000877581309 590365832 /nfs/dbraw/zinc/36/58/32/590365832.db2.gz WEXLXWJEXOKURE-UHFFFAOYSA-N -1 3 211.236 1.098 20 10 BDCDHM O=C(NC1CC(CCO)C1)c1cc([O-])cs1 ZINC000889985980 592667532 /nfs/dbraw/zinc/66/75/32/592667532.db2.gz XHQLPKJJDJKENZ-UHFFFAOYSA-N -1 3 241.312 1.345 20 10 BDCDHM C[C@H](C(=O)[O-])[N@H+](C)Cc1ccccc1[O-] ZINC000083406845 597060248 /nfs/dbraw/zinc/06/02/48/597060248.db2.gz KJGXRCXISSERAH-MRVPVSSYSA-N -1 3 209.245 1.297 20 10 BDCDHM C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[O-] ZINC000083406845 597060251 /nfs/dbraw/zinc/06/02/51/597060251.db2.gz KJGXRCXISSERAH-MRVPVSSYSA-N -1 3 209.245 1.297 20 10 BDCDHM CC(C)[N@H+](CC(=O)[O-])Cc1cc(F)ccc1[O-] ZINC000232670623 605477726 /nfs/dbraw/zinc/47/77/26/605477726.db2.gz HRHDSICCZFVGQK-UHFFFAOYSA-N -1 3 241.262 1.826 20 10 BDCDHM CC(C)[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1[O-] ZINC000232670623 605477730 /nfs/dbraw/zinc/47/77/30/605477730.db2.gz HRHDSICCZFVGQK-UHFFFAOYSA-N -1 3 241.262 1.826 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CCn2cnnc2C1 ZINC000226564714 635436924 /nfs/dbraw/zinc/43/69/24/635436924.db2.gz UJEQOPPSEZXDDP-UHFFFAOYSA-N -1 3 248.261 1.139 20 10 BDCDHM CC1(NCc2cc(F)cc(F)c2[O-])COC1 ZINC000895445404 636144763 /nfs/dbraw/zinc/14/47/63/636144763.db2.gz ZJHLMQSICAEDHC-UHFFFAOYSA-N -1 3 229.226 1.549 20 10 BDCDHM C[C@H](N[C@@H]1CNOC1)c1cc(F)cc(F)c1[O-] ZINC000925862555 635560214 /nfs/dbraw/zinc/56/02/14/635560214.db2.gz UIEFDZKARCWWOC-POYBYMJQSA-N -1 3 244.241 1.224 20 10 BDCDHM CCn1ccnc1NC(=O)c1cccc(O)c1[O-] ZINC000382397199 711599266 /nfs/dbraw/zinc/59/92/66/711599266.db2.gz QDKFGKCZYIUROI-UHFFFAOYSA-N -1 3 247.254 1.567 20 10 BDCDHM C[C@@H]1CC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000309445878 711682543 /nfs/dbraw/zinc/68/25/43/711682543.db2.gz PLSKMDNDHXRABW-VXNVDRBHSA-N -1 3 221.256 1.626 20 10 BDCDHM O=C(NCC1=CCCC1)c1cccc(O)c1[O-] ZINC000702335817 712047995 /nfs/dbraw/zinc/04/79/95/712047995.db2.gz DRRUKQARPDXUHZ-UHFFFAOYSA-N -1 3 233.267 1.938 20 10 BDCDHM CO[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508979 964344677 /nfs/dbraw/zinc/34/46/77/964344677.db2.gz RKZHREFFMMPJAV-VIFPVBQESA-N -1 3 243.253 1.891 20 10 BDCDHM O=C(c1cc(O)c([O-])c(O)c1)N1C2CCC1CC2 ZINC001148588095 973874194 /nfs/dbraw/zinc/87/41/94/973874194.db2.gz NVZUZNJSXBVZTC-UHFFFAOYSA-N -1 3 249.266 1.570 20 10 BDCDHM C[C@H]1CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446845 977592444 /nfs/dbraw/zinc/59/24/44/977592444.db2.gz LPWFPTAYWADFNY-QMMMGPOBSA-N -1 3 221.256 1.685 20 10 BDCDHM C[C@H]1CC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446845 977592450 /nfs/dbraw/zinc/59/24/50/977592450.db2.gz LPWFPTAYWADFNY-QMMMGPOBSA-N -1 3 221.256 1.685 20 10 BDCDHM Cn1nccc1C(=O)NCc1c([O-])cccc1F ZINC001596913419 978274466 /nfs/dbraw/zinc/27/44/66/978274466.db2.gz XSHSTLUDILQZQB-UHFFFAOYSA-N -1 3 249.245 1.195 20 10 BDCDHM O=C([O-])CC1CC([NH2+]Cc2ccccc2[O-])C1 ZINC001601947080 978870580 /nfs/dbraw/zinc/87/05/80/978870580.db2.gz SFYFFKRPHJJNJF-UHFFFAOYSA-N -1 3 235.283 1.735 20 10 BDCDHM C/C(=C/C(=O)[O-])C[N@@H+](C)Cc1ccccc1[O-] ZINC001602955221 979342986 /nfs/dbraw/zinc/34/29/86/979342986.db2.gz MZMBGHVZPPAJSI-YFHOEESVSA-N -1 3 235.283 1.855 20 10 BDCDHM C/C(=C/C(=O)[O-])C[N@H+](C)Cc1ccccc1[O-] ZINC001602955221 979342998 /nfs/dbraw/zinc/34/29/98/979342998.db2.gz MZMBGHVZPPAJSI-YFHOEESVSA-N -1 3 235.283 1.855 20 10 BDCDHM [O-]c1c(F)cccc1CN1CC[C@@H](F)[C@H](O)C1 ZINC001138122395 984801435 /nfs/dbraw/zinc/80/14/35/984801435.db2.gz BNEIMWQWYSUEOB-MWLCHTKSSA-N -1 3 243.253 1.436 20 10 BDCDHM C[C@H]1CN(Cc2c([O-])c(F)ccc2F)C[C@@H]1O ZINC001139680799 991310369 /nfs/dbraw/zinc/31/03/69/991310369.db2.gz CEDDWXAFTKRLKC-CPCISQLKSA-N -1 3 243.253 1.483 20 10 BDCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])CCC1=O ZINC001140057794 991506786 /nfs/dbraw/zinc/50/67/86/991506786.db2.gz MQVODNGBCCPTIF-SECBINFHSA-N -1 3 237.274 1.942 20 10 BDCDHM [O-]c1cc(Cl)ccc1CN1C[C@@H](O)[C@@H](F)C1 ZINC001140461918 991643213 /nfs/dbraw/zinc/64/32/13/991643213.db2.gz YENILNAQXVKREH-GXSJLCMTSA-N -1 3 245.681 1.560 20 10 BDCDHM Cc1ccc(C(=O)N2CC[C@@H](C)C2)c([O-])c1O ZINC000271266728 178393580 /nfs/dbraw/zinc/39/35/80/178393580.db2.gz KYGUUEBSIWBKRL-MRVPVSSYSA-N -1 3 235.283 1.888 20 10 BDCDHM [O-]c1ccc(Cl)cc1CN1CC(O)C1 ZINC000409422542 343813968 /nfs/dbraw/zinc/81/39/68/343813968.db2.gz FRKRRMQJJPJMRN-UHFFFAOYSA-N -1 3 213.664 1.222 20 10 BDCDHM C[C@H](NCc1nccn1C)c1ccccc1[O-] ZINC000071273072 384159995 /nfs/dbraw/zinc/15/99/95/384159995.db2.gz YYPMOROQHVKZLN-JTQLQIEISA-N -1 3 231.299 1.977 20 10 BDCDHM CC(C)N(CC(N)=O)Cc1cccc(F)c1[O-] ZINC000160213602 384394279 /nfs/dbraw/zinc/39/42/79/384394279.db2.gz LJWVOTIMYVBOLY-UHFFFAOYSA-N -1 3 240.278 1.227 20 10 BDCDHM CN(CC(=O)N1CCCC1)Cc1ccccc1[O-] ZINC000121145340 384401199 /nfs/dbraw/zinc/40/11/99/384401199.db2.gz GLNUAGICQSGJAZ-UHFFFAOYSA-N -1 3 248.326 1.446 20 10 BDCDHM C[C@H](CF)NCc1cccc(F)c1[O-] ZINC000290254435 384618715 /nfs/dbraw/zinc/61/87/15/384618715.db2.gz VZSROHQUXYXCQN-SSDOTTSWSA-N -1 3 201.216 1.979 20 10 BDCDHM CN(Cc1cncn1C)Cc1ccccc1[O-] ZINC000177065176 385173090 /nfs/dbraw/zinc/17/30/90/385173090.db2.gz URBNJKSJZLFGOZ-UHFFFAOYSA-N -1 3 231.299 1.758 20 10 BDCDHM [O-]c1ccc(F)cc1CN1C[C@H](F)C[C@H]1CO ZINC000364846806 385529082 /nfs/dbraw/zinc/52/90/82/385529082.db2.gz VOKAMUFGRKTYIL-MNOVXSKESA-N -1 3 243.253 1.436 20 10 BDCDHM CC[C@@H](CNC(=O)c1cccc(O)c1[O-])OC ZINC000291881872 385759113 /nfs/dbraw/zinc/75/91/13/385759113.db2.gz HGHGAMLCISFWKU-QMMMGPOBSA-N -1 3 239.271 1.253 20 10 BDCDHM CN(Cc1nc[nH]n1)Cc1cccc(F)c1[O-] ZINC000272236196 385885853 /nfs/dbraw/zinc/88/58/53/385885853.db2.gz FSNIUNHNQCKYEV-UHFFFAOYSA-N -1 3 236.250 1.281 20 10 BDCDHM CN(Cc1nnc[nH]1)Cc1cccc(F)c1[O-] ZINC000272236196 385885856 /nfs/dbraw/zinc/88/58/56/385885856.db2.gz FSNIUNHNQCKYEV-UHFFFAOYSA-N -1 3 236.250 1.281 20 10 BDCDHM Cc1ccc(C(=O)NC[C@@H]2C[C@@H]2C)c([O-])c1O ZINC000267626520 386562165 /nfs/dbraw/zinc/56/21/65/386562165.db2.gz VYHWYFUDURGBAU-IUCAKERBSA-N -1 3 235.283 1.792 20 10 BDCDHM COC[C@@H]1CCN1Cc1cc(F)ccc1[O-] ZINC000293749378 386871469 /nfs/dbraw/zinc/87/14/69/386871469.db2.gz WPXABYQLDFKOAZ-NSHDSACASA-N -1 3 225.263 1.752 20 10 BDCDHM Cc1cnn(C2CN(Cc3ccccc3[O-])C2)c1 ZINC000375850548 387588060 /nfs/dbraw/zinc/58/80/60/387588060.db2.gz PNHYLICICYCDFN-UHFFFAOYSA-N -1 3 243.310 1.954 20 10 BDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000288757419 388860175 /nfs/dbraw/zinc/86/01/75/388860175.db2.gz ZTTJPGGKCXPSNK-RXMQYKEDSA-N -1 3 249.188 1.778 20 10 BDCDHM CC(C)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000163268949 167379593 /nfs/dbraw/zinc/37/95/93/167379593.db2.gz DWMPDHZQUNXRNI-MRVPVSSYSA-N -1 3 223.272 1.872 20 10 BDCDHM CCOC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000109770183 170247515 /nfs/dbraw/zinc/24/75/15/170247515.db2.gz ZHJHTPVUDZPAOE-SNVBAGLBSA-N -1 3 237.299 1.776 20 10 BDCDHM CCn1ncnc1CN(C)Cc1ccccc1[O-] ZINC000193426178 172279331 /nfs/dbraw/zinc/27/93/31/172279331.db2.gz IILMGEWWTLIWBD-UHFFFAOYSA-N -1 3 246.314 1.636 20 10 BDCDHM COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)C(=O)[O-])c1 ZINC000049353972 175160572 /nfs/dbraw/zinc/16/05/72/175160572.db2.gz IPTYVMQUEVGTEZ-SFYZADRCSA-N -1 3 239.271 1.525 20 10 BDCDHM O=C(N[C@H]1CCn2ccnc21)c1cc([O-])cs1 ZINC000854684813 588801231 /nfs/dbraw/zinc/80/12/31/588801231.db2.gz GARLEBPVCBCOLI-QMMMGPOBSA-N -1 3 249.295 1.525 20 10 BDCDHM O=C(N[C@@H]1C=CCC1)c1cc([O-])cs1 ZINC000855432989 588835718 /nfs/dbraw/zinc/83/57/18/588835718.db2.gz OSSXGEMZBXPQFS-SSDOTTSWSA-N -1 3 209.270 1.902 20 10 BDCDHM CCn1ncnc1CN1Cc2cccc([O-])c2C1 ZINC000877702744 583343665 /nfs/dbraw/zinc/34/36/65/583343665.db2.gz FVTVINLSPLRJCY-UHFFFAOYSA-N -1 3 244.298 1.519 20 10 BDCDHM C[C@H](O)CN(C)Cc1cc(F)cc(F)c1[O-] ZINC000894450281 583461594 /nfs/dbraw/zinc/46/15/94/583461594.db2.gz HELPOFBMFRLNBW-ZETCQYMHSA-N -1 3 231.242 1.483 20 10 BDCDHM [O-]c1c(CN2C[C@@H]3C[C@]3(O)C2)ccc(F)c1F ZINC000895645665 583700774 /nfs/dbraw/zinc/70/07/74/583700774.db2.gz RZBGOFYUHCLHNF-UFBFGSQYSA-N -1 3 241.237 1.237 20 10 BDCDHM COC[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000731864537 584929765 /nfs/dbraw/zinc/92/97/65/584929765.db2.gz ZXHBWNOZMLBADL-ZCFIWIBFSA-N -1 3 215.274 1.218 20 10 BDCDHM O=C(NCc1ccccn1)c1cc([O-])cs1 ZINC000731866945 584930603 /nfs/dbraw/zinc/93/06/03/584930603.db2.gz VDGKOPQTSKRXDB-UHFFFAOYSA-N -1 3 234.280 1.779 20 10 BDCDHM Cn1ccc(NC(=O)c2cc([O-])cs2)n1 ZINC000732259687 584935102 /nfs/dbraw/zinc/93/51/02/584935102.db2.gz VYYYBRUFVCNVOE-UHFFFAOYSA-N -1 3 223.257 1.440 20 10 BDCDHM Cn1nccc1NC(=O)c1cc([O-])cs1 ZINC000732285517 584935835 /nfs/dbraw/zinc/93/58/35/584935835.db2.gz IOLDQLZAYSDFLC-UHFFFAOYSA-N -1 3 223.257 1.440 20 10 BDCDHM COCC[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000732283649 584936025 /nfs/dbraw/zinc/93/60/25/584936025.db2.gz RODIORLMRQDIGP-SSDOTTSWSA-N -1 3 229.301 1.609 20 10 BDCDHM CCOc1ccc(CN2CC(OC)C2)c([O-])c1 ZINC000839127214 585093320 /nfs/dbraw/zinc/09/33/20/585093320.db2.gz AVFFMMNKFCETEP-UHFFFAOYSA-N -1 3 237.299 1.622 20 10 BDCDHM C[C@@H](NC(=O)c1cc([O-])cs1)[C@H]1CCOC1 ZINC000743670884 585138636 /nfs/dbraw/zinc/13/86/36/585138636.db2.gz VXHILZCFHYMAMO-SFYZADRCSA-N -1 3 241.312 1.609 20 10 BDCDHM O=C(NCCC1CC1)c1cc([O-])cs1 ZINC000743733889 585139169 /nfs/dbraw/zinc/13/91/69/585139169.db2.gz SDXDMQMGBTWHCK-UHFFFAOYSA-N -1 3 211.286 1.984 20 10 BDCDHM O=C(N[C@H]1CCCC[C@@H]1O)c1cc([O-])cs1 ZINC000757904118 585346715 /nfs/dbraw/zinc/34/67/15/585346715.db2.gz FUGUVIWVVHRKIM-IUCAKERBSA-N -1 3 241.312 1.487 20 10 BDCDHM O=C(NN1CCCC1)c1cc([O-])cs1 ZINC000839797673 585480588 /nfs/dbraw/zinc/48/05/88/585480588.db2.gz RCICQDGGJQVUOL-UHFFFAOYSA-N -1 3 212.274 1.194 20 10 BDCDHM O=C(c1cc([O-])cs1)N1C[C@@H]2C[C@H]1CS2 ZINC000839799362 585503612 /nfs/dbraw/zinc/50/36/12/585503612.db2.gz UCOSISLCVJBTEF-XPUUQOCRSA-N -1 3 241.337 1.784 20 10 BDCDHM COc1cccc([O-])c1CNCC(F)(F)CO ZINC000767194305 585515395 /nfs/dbraw/zinc/51/53/95/585515395.db2.gz JEIMYXCSFHJUKQ-UHFFFAOYSA-N -1 3 247.241 1.118 20 10 BDCDHM COC(=O)CN(C)Cc1c([O-])cccc1OC ZINC000768401446 585538180 /nfs/dbraw/zinc/53/81/80/585538180.db2.gz RDEHBCVBCUGLGL-UHFFFAOYSA-N -1 3 239.271 1.006 20 10 BDCDHM C[C@@H](O)[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000780803147 585785195 /nfs/dbraw/zinc/78/51/95/585785195.db2.gz IPTYAFWLGCEAAZ-HTQZYQBOSA-N -1 3 241.312 1.297 20 10 BDCDHM Cc1ccc(C(=O)NCC2(C)CC2)c([O-])c1O ZINC000780962319 585787217 /nfs/dbraw/zinc/78/72/17/585787217.db2.gz KTMBHWSBNDOGCQ-UHFFFAOYSA-N -1 3 235.283 1.936 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CC(OC(F)F)C1 ZINC000782015063 585806648 /nfs/dbraw/zinc/80/66/48/585806648.db2.gz ZEANKMJTBDUFPU-UHFFFAOYSA-N -1 3 249.238 1.517 20 10 BDCDHM COCC[C@H](C)CNC(=O)c1cc([O-])cs1 ZINC000839810347 585898518 /nfs/dbraw/zinc/89/85/18/585898518.db2.gz LTFHEIFZKVDOAQ-QMMMGPOBSA-N -1 3 243.328 1.856 20 10 BDCDHM O=C(OCc1ncccn1)c1cc([O-])cs1 ZINC000791382627 585979745 /nfs/dbraw/zinc/97/97/45/585979745.db2.gz NUEQKMBBUYDLOG-UHFFFAOYSA-N -1 3 236.252 1.601 20 10 BDCDHM Cc1ccc(C(=O)NCCCCF)c([O-])c1O ZINC000794433397 586039623 /nfs/dbraw/zinc/03/96/23/586039623.db2.gz XBCAMDBBFNACTC-UHFFFAOYSA-N -1 3 241.262 1.886 20 10 BDCDHM O=C(OCCCCCO)c1cc([O-])cs1 ZINC000803346648 586345999 /nfs/dbraw/zinc/34/59/99/586345999.db2.gz VXYATQXSDUJRDF-UHFFFAOYSA-N -1 3 230.285 1.773 20 10 BDCDHM Cn1cncc1CNC(=O)c1cc([O-])cs1 ZINC000811589138 586561773 /nfs/dbraw/zinc/56/17/73/586561773.db2.gz MQSFTKRVOORLLW-UHFFFAOYSA-N -1 3 237.284 1.117 20 10 BDCDHM COc1cccc([O-])c1CN(C)Cc1c[nH]cn1 ZINC000826769658 587361904 /nfs/dbraw/zinc/36/19/04/587361904.db2.gz QMLVYICCWAIGLN-UHFFFAOYSA-N -1 3 247.298 1.756 20 10 BDCDHM CC1(NC(=O)c2cc([O-])cs2)CCOCC1 ZINC000831003032 587581762 /nfs/dbraw/zinc/58/17/62/587581762.db2.gz RHXATQRCCRHWSB-UHFFFAOYSA-N -1 3 241.312 1.753 20 10 BDCDHM CO[C@@H](CNC(=O)c1cc([O-])cs1)C1CC1 ZINC000832895021 587694711 /nfs/dbraw/zinc/69/47/11/587694711.db2.gz WBYOQCSSURTLSI-VIFPVBQESA-N -1 3 241.312 1.609 20 10 BDCDHM CN(CC[NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC000833873534 587737789 /nfs/dbraw/zinc/73/77/89/587737789.db2.gz YXDHOLBNEWFOMQ-UHFFFAOYSA-N -1 3 242.250 1.231 20 10 BDCDHM CCONC(=O)NCc1cc(Cl)ccc1[O-] ZINC000845122232 588221937 /nfs/dbraw/zinc/22/19/37/588221937.db2.gz NUYSGBSLNGHUSZ-UHFFFAOYSA-N -1 3 244.678 1.796 20 10 BDCDHM Cc1cc([O-])c([C@H]2NC(=O)CN2C)cc1Cl ZINC000849184112 588460354 /nfs/dbraw/zinc/46/03/54/588460354.db2.gz YGIFVRXPNUJVMJ-NSHDSACASA-N -1 3 240.690 1.414 20 10 BDCDHM CC(C)NC(=O)CN(C)Cc1ccccc1[O-] ZINC000109772627 588592425 /nfs/dbraw/zinc/59/24/25/588592425.db2.gz CVGAPZSDMGHDKM-UHFFFAOYSA-N -1 3 236.315 1.349 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H]1C(F)F ZINC000868606356 589567458 /nfs/dbraw/zinc/56/74/58/589567458.db2.gz RYZQFTWCEKOAMN-ZETCQYMHSA-N -1 3 243.209 1.577 20 10 BDCDHM COC(=O)[C@@H]1CCCN1Cc1ccc(C)cc1[O-] ZINC000876563194 590216356 /nfs/dbraw/zinc/21/63/56/590216356.db2.gz ZWGYGBCJSOXGLP-LBPRGKRZSA-N -1 3 249.310 1.838 20 10 BDCDHM [O-]c1c(CN(CCO)C2CC2)ccc(F)c1F ZINC000876579306 590217067 /nfs/dbraw/zinc/21/70/67/590217067.db2.gz DKXYPYOGXQTNKP-UHFFFAOYSA-N -1 3 243.253 1.627 20 10 BDCDHM Cc1cccc([O-])c1CN1CCS(=O)CC1 ZINC000876692991 590231077 /nfs/dbraw/zinc/23/10/77/590231077.db2.gz LXBFUYSJYKDRAR-UHFFFAOYSA-N -1 3 239.340 1.265 20 10 BDCDHM O=C(NCc1cccnc1)c1cccc(O)c1[O-] ZINC000126238390 590255421 /nfs/dbraw/zinc/25/54/21/590255421.db2.gz LCKIRPUDFJAYHX-UHFFFAOYSA-N -1 3 244.250 1.423 20 10 BDCDHM Cn1cc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000126257067 590261682 /nfs/dbraw/zinc/26/16/82/590261682.db2.gz RYPZYYZFDDGVEL-UHFFFAOYSA-N -1 3 233.227 1.084 20 10 BDCDHM Cn1nccc1NC(=O)c1cccc(O)c1[O-] ZINC000126353751 590287490 /nfs/dbraw/zinc/28/74/90/590287490.db2.gz RCBQAQFUJMMMEE-UHFFFAOYSA-N -1 3 233.227 1.084 20 10 BDCDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000126545241 590335545 /nfs/dbraw/zinc/33/55/45/590335545.db2.gz FUMLWNLMPRGMBC-QMMMGPOBSA-N -1 3 235.283 1.874 20 10 BDCDHM CCn1ncnc1CNCc1ccc(C)cc1[O-] ZINC000877491500 590339828 /nfs/dbraw/zinc/33/98/28/590339828.db2.gz KOLMRPHQBQMZLF-UHFFFAOYSA-N -1 3 246.314 1.602 20 10 BDCDHM Cc1ccc(CN2CC(=O)NCC2(C)C)c([O-])c1 ZINC000877501398 590341861 /nfs/dbraw/zinc/34/18/61/590341861.db2.gz OIQYTSDBOLSSOU-UHFFFAOYSA-N -1 3 248.326 1.411 20 10 BDCDHM Cc1ccc(CN2CCO[C@@H](CF)C2)c([O-])c1 ZINC000877586495 590367715 /nfs/dbraw/zinc/36/77/15/590367715.db2.gz HLPXCYNIOKIFOK-LBPRGKRZSA-N -1 3 239.290 1.871 20 10 BDCDHM Cc1c[nH]nc1NC(=O)c1cccc(O)c1[O-] ZINC000126649427 590392214 /nfs/dbraw/zinc/39/22/14/590392214.db2.gz RRZKGVMRULBCDW-UHFFFAOYSA-N -1 3 233.227 1.382 20 10 BDCDHM CCN1CC[C@@H]1CNC(=O)c1cc([O-])cs1 ZINC000882486604 591362541 /nfs/dbraw/zinc/36/25/41/591362541.db2.gz NABNGVJHMNYTQA-MRVPVSSYSA-N -1 3 240.328 1.278 20 10 BDCDHM COC[C@@H](CO)N[C@H](C)c1c([O-])cccc1F ZINC000886604923 592274872 /nfs/dbraw/zinc/27/48/72/592274872.db2.gz GELUGBFLSDQFBL-RKDXNWHRSA-N -1 3 243.278 1.189 20 10 BDCDHM C[C@H](N[C@H]1CCNC1=O)c1c([O-])cccc1F ZINC000886634378 592284034 /nfs/dbraw/zinc/28/40/34/592284034.db2.gz COMVSQBMTUDGFS-CBAPKCEASA-N -1 3 238.262 1.070 20 10 BDCDHM CCOc1ccc(C[NH2+][C@@H](C)C(=O)[O-])c([O-])c1 ZINC000739508710 597303963 /nfs/dbraw/zinc/30/39/63/597303963.db2.gz XLXRFXRGQGBRSU-QMMMGPOBSA-N -1 3 239.271 1.354 20 10 BDCDHM O=C([O-])[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000086729589 598211715 /nfs/dbraw/zinc/21/17/15/598211715.db2.gz CPLUGEMCYWPPAX-LLVKDONJSA-N -1 3 235.283 1.831 20 10 BDCDHM O=C([O-])[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000086729589 598211716 /nfs/dbraw/zinc/21/17/16/598211716.db2.gz CPLUGEMCYWPPAX-LLVKDONJSA-N -1 3 235.283 1.831 20 10 BDCDHM C[C@]1(C(=O)[O-])CC[N@H+](Cc2ccccc2[O-])C1 ZINC000086779471 604788481 /nfs/dbraw/zinc/78/84/81/604788481.db2.gz VLLYLIIKPBRYSC-ZDUSSCGKSA-N -1 3 235.283 1.689 20 10 BDCDHM C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000086779471 604788482 /nfs/dbraw/zinc/78/84/82/604788482.db2.gz VLLYLIIKPBRYSC-ZDUSSCGKSA-N -1 3 235.283 1.689 20 10 BDCDHM O=C([O-])[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000236443032 605473664 /nfs/dbraw/zinc/47/36/64/605473664.db2.gz NVPRHXRPIHPKDL-SNVBAGLBSA-N -1 3 239.246 1.580 20 10 BDCDHM O=C([O-])[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000236443032 605473668 /nfs/dbraw/zinc/47/36/68/605473668.db2.gz NVPRHXRPIHPKDL-SNVBAGLBSA-N -1 3 239.246 1.580 20 10 BDCDHM O=C(NCC(F)F)c1cccc(O)c1[O-] ZINC000163275875 636352963 /nfs/dbraw/zinc/35/29/63/636352963.db2.gz UXCHWCUGZQJPHU-UHFFFAOYSA-N -1 3 217.171 1.093 20 10 BDCDHM C[C@@H]1C[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000163273792 643186932 /nfs/dbraw/zinc/18/69/32/643186932.db2.gz FVUWBVUQXTXLIZ-HTRCEHHLSA-N -1 3 207.229 1.236 20 10 BDCDHM CC[N@H+](CCC(=O)[O-])Cc1ccccc1[O-] ZINC000083406470 644404767 /nfs/dbraw/zinc/40/47/67/644404767.db2.gz GYYUDPAOXVXOAR-UHFFFAOYSA-N -1 3 223.272 1.689 20 10 BDCDHM CC[N@@H+](CCC(=O)[O-])Cc1ccccc1[O-] ZINC000083406470 644404773 /nfs/dbraw/zinc/40/47/73/644404773.db2.gz GYYUDPAOXVXOAR-UHFFFAOYSA-N -1 3 223.272 1.689 20 10 BDCDHM C[C@@H](C[N@H+](C)Cc1ccccc1[O-])C(=O)[O-] ZINC000083415489 644404924 /nfs/dbraw/zinc/40/49/24/644404924.db2.gz OFTPSYAJYAQYNP-VIFPVBQESA-N -1 3 223.272 1.545 20 10 BDCDHM C[C@@H](C[N@@H+](C)Cc1ccccc1[O-])C(=O)[O-] ZINC000083415489 644404929 /nfs/dbraw/zinc/40/49/29/644404929.db2.gz OFTPSYAJYAQYNP-VIFPVBQESA-N -1 3 223.272 1.545 20 10 BDCDHM Cn1ccnc1NC(=O)c1cccc(O)c1[O-] ZINC000382386684 711584117 /nfs/dbraw/zinc/58/41/17/711584117.db2.gz MXVMMMLVFMIKEV-UHFFFAOYSA-N -1 3 233.227 1.084 20 10 BDCDHM COC(=O)[C@@H](C)NCc1cc(Cl)ccc1[O-] ZINC000042304434 712720195 /nfs/dbraw/zinc/72/01/95/712720195.db2.gz KQNGMFZWOAKCAQ-SSDOTTSWSA-N -1 3 243.690 1.697 20 10 BDCDHM [O-]c1c(F)cc(F)cc1CNCc1cn[nH]n1 ZINC000708487461 959497928 /nfs/dbraw/zinc/49/79/28/959497928.db2.gz XVFUPEQYAMWXNU-UHFFFAOYSA-N -1 3 240.213 1.078 20 10 BDCDHM O=C(c1cccc(O)c1[O-])N1CC=CC1 ZINC000308909699 960221644 /nfs/dbraw/zinc/22/16/44/960221644.db2.gz FSUHSVYGVOGQFG-UHFFFAOYSA-N -1 3 205.213 1.110 20 10 BDCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H](O)C1 ZINC001142502269 961459084 /nfs/dbraw/zinc/45/90/84/961459084.db2.gz LYBPPICEUVPXMK-SECBINFHSA-N -1 3 243.253 1.627 20 10 BDCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC001203664520 966728537 /nfs/dbraw/zinc/72/85/37/966728537.db2.gz ITHVZTRQVVGVFK-UHFFFAOYSA-N -1 3 241.674 1.404 20 10 BDCDHM O=C([O-])CC1([NH2+]Cc2ccccc2[O-])CC1 ZINC001334768758 976633579 /nfs/dbraw/zinc/63/35/79/976633579.db2.gz REUFJGWYCMZHFU-UHFFFAOYSA-N -1 3 221.256 1.489 20 10 BDCDHM Cc1ccc(C[NH2+]CCC(=O)[O-])c([O-])c1 ZINC001594362610 977636432 /nfs/dbraw/zinc/63/64/32/977636432.db2.gz SPNWLBYDWQIYDL-UHFFFAOYSA-N -1 3 209.245 1.265 20 10 BDCDHM Cn1cncc1C(=O)NCc1c([O-])cccc1F ZINC001178413275 978567052 /nfs/dbraw/zinc/56/70/52/978567052.db2.gz PPSTURUWHZGALM-UHFFFAOYSA-N -1 3 249.245 1.195 20 10 BDCDHM C/C(=C\C(=O)[O-])C[N@@H+](C)Cc1ccccc1[O-] ZINC001602955220 979339640 /nfs/dbraw/zinc/33/96/40/979339640.db2.gz MZMBGHVZPPAJSI-JXMROGBWSA-N -1 3 235.283 1.855 20 10 BDCDHM C/C(=C\C(=O)[O-])C[N@H+](C)Cc1ccccc1[O-] ZINC001602955220 979339654 /nfs/dbraw/zinc/33/96/54/979339654.db2.gz MZMBGHVZPPAJSI-JXMROGBWSA-N -1 3 235.283 1.855 20 10 BDCDHM Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001607781316 980128586 /nfs/dbraw/zinc/12/85/86/980128586.db2.gz OTZLAOMIWGPOOB-ZYHUDNBSSA-N -1 3 249.310 1.853 20 10 BDCDHM Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001607781316 980128591 /nfs/dbraw/zinc/12/85/91/980128591.db2.gz OTZLAOMIWGPOOB-ZYHUDNBSSA-N -1 3 249.310 1.853 20 10 BDCDHM CCN(Cc1cccc(F)c1[O-])C1CN(C)C1 ZINC001138129615 990886517 /nfs/dbraw/zinc/88/65/17/990886517.db2.gz NGYWNWPEEHQDSD-UHFFFAOYSA-N -1 3 238.306 1.667 20 10 BDCDHM COC(CN(C)Cc1cccc(F)c1[O-])OC ZINC001138128755 990886841 /nfs/dbraw/zinc/88/68/41/990886841.db2.gz XQETVTCBBCQVGT-UHFFFAOYSA-N -1 3 243.278 1.582 20 10 BDCDHM C[C@@H]1C[C@@H](O)CN1Cc1c([O-])c(F)ccc1F ZINC001139685718 991317336 /nfs/dbraw/zinc/31/73/36/991317336.db2.gz UYLZWCGQBOQHJJ-HTQZYQBOSA-N -1 3 243.253 1.626 20 10 BDCDHM O=C(NCc1ccco1)c1cccc(O)c1[O-] ZINC000072111415 182263221 /nfs/dbraw/zinc/26/32/21/182263221.db2.gz WRMAZDODOLZIPL-UHFFFAOYSA-N -1 3 233.223 1.621 20 10 BDCDHM [O-]c1ccc(F)cc1CN1C[C@@H](F)C[C@H]1CO ZINC000364846807 183130336 /nfs/dbraw/zinc/13/03/36/183130336.db2.gz VOKAMUFGRKTYIL-QWRGUYRKSA-N -1 3 243.253 1.436 20 10 BDCDHM CCN(CC(N)=O)Cc1c([O-])cccc1Cl ZINC000231829989 385823373 /nfs/dbraw/zinc/82/33/73/385823373.db2.gz RTKPNHUYGOJZAH-UHFFFAOYSA-N -1 3 242.706 1.353 20 10 BDCDHM O=C1CCN(CNCc2ccccc2[O-])CC1 ZINC000275720490 386233425 /nfs/dbraw/zinc/23/34/25/386233425.db2.gz MAUZHZYHKLJANX-UHFFFAOYSA-N -1 3 234.299 1.104 20 10 BDCDHM [O-]c1ccc(F)cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000226565265 134366296 /nfs/dbraw/zinc/36/62/96/134366296.db2.gz YWFRESFUHCZROT-TXEJJXNPSA-N -1 3 237.274 1.895 20 10 BDCDHM CC(C)ONC(=O)c1cccc(O)c1[O-] ZINC000294064688 167279644 /nfs/dbraw/zinc/27/96/44/167279644.db2.gz KITCLEHLNPYJCB-UHFFFAOYSA-N -1 3 211.217 1.168 20 10 BDCDHM C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126192898 176095204 /nfs/dbraw/zinc/09/52/04/176095204.db2.gz HFAOFJZAHGWFCP-SECBINFHSA-N -1 3 235.283 1.970 20 10 BDCDHM C[C@@H]1[C@@H](C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000193127110 177154973 /nfs/dbraw/zinc/15/49/73/177154973.db2.gz XUBKEMNLZXOFHM-DTWKUNHWSA-N -1 3 235.283 1.968 20 10 BDCDHM CC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732354474 584936071 /nfs/dbraw/zinc/93/60/71/584936071.db2.gz NFAMUXFBAPGALA-LURJTMIESA-N -1 3 214.242 1.588 20 10 BDCDHM O=C(c1cc([O-])cs1)N1CCC[C@H](O)CC1 ZINC000854671564 588800515 /nfs/dbraw/zinc/80/05/15/588800515.db2.gz LEQJEGIYFLTGQZ-QMMMGPOBSA-N -1 3 241.312 1.441 20 10 BDCDHM Cc1ccc(CN2CC(=O)N[C@H](C)C2)c([O-])c1 ZINC000877568096 583335597 /nfs/dbraw/zinc/33/55/97/583335597.db2.gz XKFKPGYBFXNBCC-SNVBAGLBSA-N -1 3 234.299 1.021 20 10 BDCDHM O=C1NCCC2(CN(Cc3ccccc3[O-])C2)O1 ZINC000897752485 584043950 /nfs/dbraw/zinc/04/39/50/584043950.db2.gz CZEZLSJJTVWSGT-UHFFFAOYSA-N -1 3 248.282 1.077 20 10 BDCDHM CN(C(=O)c1cc([O-])cs1)[C@@H]1CCC[C@H]1O ZINC000899344362 584198218 /nfs/dbraw/zinc/19/82/18/584198218.db2.gz ILHZNJUHPTZHDY-RKDXNWHRSA-N -1 3 241.312 1.439 20 10 BDCDHM [O-]c1c(F)cc(Cl)cc1CN[C@H]1CNOC1 ZINC000904425584 584881763 /nfs/dbraw/zinc/88/17/63/584881763.db2.gz RXLJAONWJJQRRN-QMMMGPOBSA-N -1 3 246.669 1.178 20 10 BDCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)CCCO1 ZINC000732284611 584935907 /nfs/dbraw/zinc/93/59/07/584935907.db2.gz URXHUNCUEZVGQV-QMMMGPOBSA-N -1 3 241.312 1.705 20 10 BDCDHM CCN(C)C(=O)COC(=O)c1cc([O-])cs1 ZINC000732353667 584936213 /nfs/dbraw/zinc/93/62/13/584936213.db2.gz JQYWEVXMLFXMMD-UHFFFAOYSA-N -1 3 243.284 1.089 20 10 BDCDHM COCCOC1CN(Cc2ccccc2[O-])C1 ZINC000838988049 585084560 /nfs/dbraw/zinc/08/45/60/585084560.db2.gz RLTAFXLNFFZPEN-UHFFFAOYSA-N -1 3 237.299 1.239 20 10 BDCDHM O=C(N[C@H]1CCSC1)c1cc([O-])cs1 ZINC000743734038 585139079 /nfs/dbraw/zinc/13/90/79/585139079.db2.gz ZSXMOEVVDOZLBA-LURJTMIESA-N -1 3 229.326 1.689 20 10 BDCDHM C[C@H](O)C[C@H](C)CNC(=O)c1cc([O-])cs1 ZINC000748375770 585191975 /nfs/dbraw/zinc/19/19/75/585191975.db2.gz NDEAFWMGCPLENE-YUMQZZPRSA-N -1 3 243.328 1.591 20 10 BDCDHM Cc1nc[nH]c1CNC(=O)c1cc([O-])cs1 ZINC000748405857 585192323 /nfs/dbraw/zinc/19/23/23/585192323.db2.gz NKZNTKNNDQSCTO-UHFFFAOYSA-N -1 3 237.284 1.415 20 10 BDCDHM COC[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000751530538 585231952 /nfs/dbraw/zinc/23/19/52/585231952.db2.gz NOHKKBFBQFCCAX-QMMMGPOBSA-N -1 3 239.271 1.171 20 10 BDCDHM C[C@H]1COCCN(C(=O)c2cc([O-])cs2)C1 ZINC000754512702 585285610 /nfs/dbraw/zinc/28/56/10/585285610.db2.gz RPGYPMWQUVUEOL-MRVPVSSYSA-N -1 3 241.312 1.562 20 10 BDCDHM CCC[C@@H](O)CNC(=O)c1cc([O-])cs1 ZINC000771064714 585589497 /nfs/dbraw/zinc/58/94/97/585589497.db2.gz KRUVWDDFZIDAPN-SSDOTTSWSA-N -1 3 229.301 1.345 20 10 BDCDHM C/C=C/C[C@@H](CO)NC(=O)c1cc([O-])cs1 ZINC000771742217 585599303 /nfs/dbraw/zinc/59/93/03/585599303.db2.gz BJQNXRDKYYSTNT-SGJFDWMWSA-N -1 3 241.312 1.511 20 10 BDCDHM CC[C@@H](O)CCNC(=O)c1cc([O-])cs1 ZINC000772475199 585616228 /nfs/dbraw/zinc/61/62/28/585616228.db2.gz BOFBUAHWXBUQJD-SSDOTTSWSA-N -1 3 229.301 1.345 20 10 BDCDHM CCN(CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000775639363 585682147 /nfs/dbraw/zinc/68/21/47/585682147.db2.gz VSDZSHSYIULCJV-UHFFFAOYSA-N -1 3 247.697 1.999 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CCc2c[nH]nc2C1 ZINC000779021461 585744257 /nfs/dbraw/zinc/74/42/57/585744257.db2.gz YXTSMBCBHSESMT-UHFFFAOYSA-N -1 3 247.273 1.813 20 10 BDCDHM CC1(C)[C@H](O)C[C@H]1NC(=O)c1cc([O-])cs1 ZINC000779454376 585755073 /nfs/dbraw/zinc/75/50/73/585755073.db2.gz OFXYHRFAMFZCKW-RKDXNWHRSA-N -1 3 241.312 1.343 20 10 BDCDHM CC[C@@]1(O)CCN(C(=O)c2cc([O-])cs2)C1 ZINC000779506953 585755871 /nfs/dbraw/zinc/75/58/71/585755871.db2.gz ZPUZLJKIOATLRR-LLVKDONJSA-N -1 3 241.312 1.441 20 10 BDCDHM O=C(Nc1ccc[nH]c1=O)c1cccc(O)c1[O-] ZINC000790598171 585966714 /nfs/dbraw/zinc/96/67/14/585966714.db2.gz JRFWLNNRGNBECN-UHFFFAOYSA-N -1 3 246.222 1.451 20 10 BDCDHM CC1(C)CN(C(=O)c2cc([O-])cs2)C[C@@H]1O ZINC000791083156 585973865 /nfs/dbraw/zinc/97/38/65/585973865.db2.gz OSRAZUMQXOLBAP-VIFPVBQESA-N -1 3 241.312 1.297 20 10 BDCDHM CC1(C)C[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000839815142 585996489 /nfs/dbraw/zinc/99/64/89/585996489.db2.gz YNPICWVSIBVZAG-QMMMGPOBSA-N -1 3 211.286 1.982 20 10 BDCDHM CC(C)C1(O)CN(C(=O)c2cc([O-])cs2)C1 ZINC000802612580 586305835 /nfs/dbraw/zinc/30/58/35/586305835.db2.gz JYCKUTGJNMZGGJ-UHFFFAOYSA-N -1 3 241.312 1.297 20 10 BDCDHM NCC(F)(F)CN[C@@H]1CCc2cccc([O-])c21 ZINC000817967171 586856251 /nfs/dbraw/zinc/85/62/51/586856251.db2.gz DNAQPNKAMFZDLB-SECBINFHSA-N -1 3 242.269 1.563 20 10 BDCDHM COc1cccc([O-])c1C[N@H+](C)CCC(=O)[O-] ZINC000820871071 587078821 /nfs/dbraw/zinc/07/88/21/587078821.db2.gz NOCKIFFFYNEACG-UHFFFAOYSA-N -1 3 239.271 1.307 20 10 BDCDHM COc1cccc([O-])c1C[N@@H+](C)CCC(=O)[O-] ZINC000820871071 587078823 /nfs/dbraw/zinc/07/88/23/587078823.db2.gz NOCKIFFFYNEACG-UHFFFAOYSA-N -1 3 239.271 1.307 20 10 BDCDHM Cc1cccc(C[N@H+](C)CC(=O)[O-])c1[O-] ZINC000821112031 587096544 /nfs/dbraw/zinc/09/65/44/587096544.db2.gz GLSLEWMJZBNVEA-UHFFFAOYSA-N -1 3 209.245 1.217 20 10 BDCDHM Cc1cccc(C[N@@H+](C)CC(=O)[O-])c1[O-] ZINC000821112031 587096546 /nfs/dbraw/zinc/09/65/46/587096546.db2.gz GLSLEWMJZBNVEA-UHFFFAOYSA-N -1 3 209.245 1.217 20 10 BDCDHM CC[C@@H](C[C@@H](C)O)NC(=O)c1cc([O-])cs1 ZINC000831318336 587598250 /nfs/dbraw/zinc/59/82/50/587598250.db2.gz MQIUPETZQKMWCX-SFYZADRCSA-N -1 3 243.328 1.733 20 10 BDCDHM CC[C@]1(NC(=O)c2cc([O-])cs2)CCOC1 ZINC000834356215 587753021 /nfs/dbraw/zinc/75/30/21/587753021.db2.gz VHYWKBXNSBREOK-NSHDSACASA-N -1 3 241.312 1.753 20 10 BDCDHM CC(C)O[N-]C(=O)Nc1ccc(N)cc1 ZINC000841300568 587950295 /nfs/dbraw/zinc/95/02/95/587950295.db2.gz WGXJLDVHNCVXPG-UHFFFAOYSA-N -1 3 209.249 1.730 20 10 BDCDHM C[C@H]1C[C@H](NC(=O)c2cc([O-])cs2)CO1 ZINC000844152993 588171127 /nfs/dbraw/zinc/17/11/27/588171127.db2.gz JFKIKWBZGZUTLI-BQBZGAKWSA-N -1 3 227.285 1.361 20 10 BDCDHM CCNC(=O)NCc1cc(Cl)ccc1[O-] ZINC000844282365 588180359 /nfs/dbraw/zinc/18/03/59/588180359.db2.gz UNLVWTXIFVDHQG-UHFFFAOYSA-N -1 3 228.679 1.865 20 10 BDCDHM CO[C@@H](C)C(=O)NCc1cc(Cl)ccc1[O-] ZINC000846471850 588267014 /nfs/dbraw/zinc/26/70/14/588267014.db2.gz BRFRLWUTOXPHIC-ZETCQYMHSA-N -1 3 243.690 1.697 20 10 BDCDHM CCOCC(=O)NCc1cc(Cl)ccc1[O-] ZINC000846480203 588267236 /nfs/dbraw/zinc/26/72/36/588267236.db2.gz SXNNXGZKYLNVQK-UHFFFAOYSA-N -1 3 243.690 1.698 20 10 BDCDHM [O-]c1ccc(F)cc1CN1CCn2nncc2C1 ZINC000848922487 588420879 /nfs/dbraw/zinc/42/08/79/588420879.db2.gz UQSHTTLECOMBSO-UHFFFAOYSA-N -1 3 248.261 1.139 20 10 BDCDHM Cc1cc([O-])c([C@@H]2NC(=O)CN2C)cc1Cl ZINC000849184110 588460442 /nfs/dbraw/zinc/46/04/42/588460442.db2.gz YGIFVRXPNUJVMJ-LLVKDONJSA-N -1 3 240.690 1.414 20 10 BDCDHM CCN1CC[C@@H](N(C)Cc2ccccc2[O-])C1=O ZINC000851841493 588634443 /nfs/dbraw/zinc/63/44/43/588634443.db2.gz UBISZYARWFDVJO-GFCCVEGCSA-N -1 3 248.326 1.445 20 10 BDCDHM Cc1ccc(C(=O)N2C[C@@H]3C[C@@H]3C2)c([O-])c1O ZINC000862557779 589221587 /nfs/dbraw/zinc/22/15/87/589221587.db2.gz ZOOZKIOYHCCYPQ-DTORHVGOSA-N -1 3 233.267 1.498 20 10 BDCDHM CN(C[C@H]1C[C@@H](O)C1)C(=O)c1cc([O-])cs1 ZINC000863382856 589285674 /nfs/dbraw/zinc/28/56/74/589285674.db2.gz WCSCQDIEZBUFGO-OCAPTIKFSA-N -1 3 241.312 1.297 20 10 BDCDHM C[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])C1CC1 ZINC000873641354 590065502 /nfs/dbraw/zinc/06/55/02/590065502.db2.gz TUFQQKAXTNZABQ-GFCCVEGCSA-N -1 3 235.283 1.687 20 10 BDCDHM C[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])C1CC1 ZINC000873641354 590065503 /nfs/dbraw/zinc/06/55/03/590065503.db2.gz TUFQQKAXTNZABQ-GFCCVEGCSA-N -1 3 235.283 1.687 20 10 BDCDHM [O-]c1c(CN2CCC[C@@H](O)C2)ccc(F)c1F ZINC000876527345 590209136 /nfs/dbraw/zinc/20/91/36/590209136.db2.gz AXEDMAKIUSPEPL-SECBINFHSA-N -1 3 243.253 1.627 20 10 BDCDHM [O-]c1c(CN2CCC[C@@H]2CO)ccc(F)c1F ZINC000876561435 590216016 /nfs/dbraw/zinc/21/60/16/590216016.db2.gz KBWXUPAJYJVPMC-SECBINFHSA-N -1 3 243.253 1.627 20 10 BDCDHM [O-]c1c(CN2CC[C@H](CO)C2)ccc(F)c1F ZINC000876660520 590227488 /nfs/dbraw/zinc/22/74/88/590227488.db2.gz UUAVZFDMXLZSIA-QMMMGPOBSA-N -1 3 243.253 1.485 20 10 BDCDHM O=C(NCc1ccncc1)c1cccc(O)c1[O-] ZINC000126238609 590256170 /nfs/dbraw/zinc/25/61/70/590256170.db2.gz JXZDGXMJEGDCHD-UHFFFAOYSA-N -1 3 244.250 1.423 20 10 BDCDHM CC1(NCc2cccc(Cl)c2[O-])COC1 ZINC000877691127 590392670 /nfs/dbraw/zinc/39/26/70/590392670.db2.gz JLHHVQXARZRXOV-UHFFFAOYSA-N -1 3 227.691 1.924 20 10 BDCDHM C[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000235493587 598211259 /nfs/dbraw/zinc/21/12/59/598211259.db2.gz ITDJWMHZCPQLOA-ZETCQYMHSA-N -1 3 227.235 1.436 20 10 BDCDHM C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000235493587 598211260 /nfs/dbraw/zinc/21/12/60/598211260.db2.gz ITDJWMHZCPQLOA-ZETCQYMHSA-N -1 3 227.235 1.436 20 10 BDCDHM O=C([O-])c1occc1C[NH2+]Cc1ccccc1[O-] ZINC000236476040 605088036 /nfs/dbraw/zinc/08/80/36/605088036.db2.gz IBOOUPGQWRJXSL-UHFFFAOYSA-N -1 3 247.250 1.973 20 10 BDCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000163270969 633052830 /nfs/dbraw/zinc/05/28/30/633052830.db2.gz YDKXEJDMNNVYFM-SSDOTTSWSA-N -1 3 221.256 1.626 20 10 BDCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])nn1C ZINC000305890606 635957003 /nfs/dbraw/zinc/95/70/03/635957003.db2.gz XJPKAQWYKZUVON-UHFFFAOYSA-N -1 3 247.254 1.392 20 10 BDCDHM CSCCC(=O)NCc1c([O-])cccc1F ZINC000928707711 636341142 /nfs/dbraw/zinc/34/11/42/636341142.db2.gz BBBIZULCMSYQNX-UHFFFAOYSA-N -1 3 243.303 1.901 20 10 BDCDHM CCCS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452314 642626149 /nfs/dbraw/zinc/62/61/49/642626149.db2.gz LHGHAQVDLPCWRA-UHFFFAOYSA-N -1 3 247.291 1.361 20 10 BDCDHM CC[S@@](C)(=O)=NC(=O)c1cc([O-])cs1 ZINC000925818251 646493285 /nfs/dbraw/zinc/49/32/85/646493285.db2.gz BKTVMGSTQMHYFW-CQSZACIVSA-N -1 3 233.314 1.712 20 10 BDCDHM CCO[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928712239 711786248 /nfs/dbraw/zinc/78/62/48/711786248.db2.gz PESBGTVGUFXILT-QMMMGPOBSA-N -1 3 241.262 1.573 20 10 BDCDHM